A0A087XMJ5_POEFO Loading...

Polyamine oxidase

AlphaFold DB , UniProt , Accession A0A087XMJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 509 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
1I44.5Very low39.8Very low178 Ų178100.5 Ų100.591%0.91362%0.616SS**  0-49.60-60.3172.7000110.7S3 K4 C5I1-S3 PolarHBondContact O-N 3.37Å; I1-K4 PolarHBondContact O-N 2.87Å; I1-C5 PolarHBondContact O-N 2.91Å
2Q31.2Very low41.2Very low180 Ų18097.4 Ų97.484%0.84159%0.593SS**Hα-helixtrans-57.1-40.5175.6-80.6172.8-25.100115.3C5 A6Q2-C5 PolarHBondContact O-N 3.36Å; Q2-A6 PolarHBondContact O-N 3.04Å
3S33.2Very low43.1Very low94 Ų9496.5 Ų96.566%0.65758%0.576SS**Hα-helixtrans-72.4-29.8178.573.30000114I1 A7I1-S3 PolarHBondContact O-N 3.37Å; S3-A7 WeakPolarHBondContact O-CB 3.32Å; S3-A7 PolarHBondContact O-N 3.46Å
4K34.7Very low45.6Very low169 Ų16997.9 Ų97.974%0.73558%0.579SS**Hα-helixtrans-73.3-35.2172.7-76.1-171.2175.1-1750111.9I1 A8I1-K4 PolarHBondContact O-N 2.87Å; K4-A8 WeakPolarHBondContact O-CB 3.31Å; K4-A8 PolarHBondContact O-N 2.9Å
5C36.4Very low48.6Very low75 Ų7592.1 Ų92.151%0.50755%0.545SS..Hα-helixtrans-67.1-40.8171.7-75.90000112.2I1 Q2 A8 M9I1-C5 PolarHBondContact O-N 2.91Å; Q2-C5 PolarHBondContact O-N 3.36Å; C5-A8 PolarHBondContact O-N 2.71Å; C5-M9 WeakPolarHBondContact O-CB 3.34Å; C5-M9 VanDerWaalsContact O-CG 3.26Å; C5-M9 WeakPolarHBondContact O-CG 3.35Å; C5-M9 PolarHBondContact O-N 2.81Å
6A36.6Very low51.4Low59 Ų5989.8 Ų89.849%0.48853%0.529SS..Hα-helixtrans-66.3-41.7176.300000112.3Q2 M9 A10Q2-A6 PolarHBondContact O-N 3.04Å; A6-M9 PolarHBondContact O-N 3.29Å; A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 3.13Å
7A37.2Very low54.1Low65 Ų6584.5 Ų84.554%0.53750%0.498SS..Hα-helixtrans-67.9-36.4174.900000113S3 A10 G11S3-A7 WeakPolarHBondContact O-CB 3.32Å; S3-A7 PolarHBondContact O-N 3.46Å; A7-A10 PolarHBondContact O-N 3.27Å; A7-G11 PolarHBondContact O-N 2.91Å
8A42.7Very low56.6Low59 Ų5979.9 Ų79.949%0.48847%0.471SS..Hα-helixtrans-68-36.1172.500000112.3K4 C5 G11 N12K4-A8 WeakPolarHBondContact O-CB 3.31Å; K4-A8 PolarHBondContact O-N 2.9Å; C5-A8 PolarHBondContact O-N 2.71Å; A8-G11 PolarHBondContact O-N 3.09Å; A8-N12 WeakPolarHBondContact O-CB 3.36Å; A8-N12 PolarHBondContact O-N 3.05Å
9M44Very low58.8Low108 Ų10875.7 Ų75.753%0.53245%0.447SS..Hα-helixtrans-70.4-33.3173.4-72.7-136.5-65.400113C5 A6C5-M9 WeakPolarHBondContact O-CB 3.34Å; C5-M9 VanDerWaalsContact O-CG 3.26Å; C5-M9 WeakPolarHBondContact O-CG 3.35Å; C5-M9 PolarHBondContact O-N 2.81Å; A6-M9 PolarHBondContact O-N 3.29Å
10A46.8Very low60.8Low70 Ų7072.4 Ų72.458%0.57943%0.427SS*.Hα-helixtrans-70.9-36.4172.800000112A6 A7A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 3.13Å; A7-A10 PolarHBondContact O-N 3.27Å
11G50.8Low62.6Low49 Ų4969.5 Ų69.551%0.50541%0.412SS..Hα-helixtrans-68.5-34.8174.200000114A7 A8 K13 N14A7-G11 PolarHBondContact O-N 2.91Å; A8-G11 PolarHBondContact O-N 3.09Å; G11-K13 VanDerWaalsContact C-N 3.26Å; G11-K13 PolarHBondContact O-N 2.81Å; G11-N14 PolarHBondContact O-N 2.63Å
12N56.8Low65.2Low63 Ų6361 Ų6134%0.33737%0.369SS..THydrogen-bonded Turntrans-70.7-14179.1-98.28.7000114.7A8 Y496A8-N12 WeakPolarHBondContact O-CB 3.36Å; A8-N12 PolarHBondContact O-N 3.05Å; N12-Y496 HydrophobicContact CB-CD1 4.02Å; N12-Y496 PolarHBondContact ND2-O 3.25Å; N12-Y496 WeakPolarHBondContact O-CD1 3.36Å
13K65.5Low68.4Low85 Ų8553.2 Ų53.237%0.3734%0.337SS..THydrogen-bonded Turntrans-102.1-1-179.1-67.2-172-179.9-1610114G11 V15 S36 G37G11-K13 VanDerWaalsContact C-N 3.26Å; G11-K13 PolarHBondContact O-N 2.81Å; K13-V15 VanDerWaalsContact C-N 3.32Å; K13-V15 PolarHBondContact O-N 2.73Å; K13-S36 PolarHBondContact NZ-O 3.44Å; K13-G37 WeakPolarHBondContact CD-O 3.31Å
14N77.5Confident71.6Confident116 Ų11649.1 Ų49.162%0.6231%0.308SS*.  trans-98.253.5174.2-163.340.2000110.6G11G11-N14 PolarHBondContact O-N 2.63Å
15V90.6Very high74.6Confident11 Ų1141.3 Ų41.37%0.06727%0.274CS..  trans-109.6140.3-179.4-63.70000109.4K13 I17 F38 D276 Y496K13-V15 VanDerWaalsContact C-N 3.32Å; K13-V15 PolarHBondContact O-N 2.73Å; V15-I17 HydrophobicContact CG2-CD1 4.1Å; V15-I17 HydrophobicContact CG2-CG1 4.19Å; V15-I17 PolarHBondContact O-N 2.84Å; V15-F38 HydrophobicContact CG2-CD1 3.48Å; V15-F38 VanDerWaalsContact CG2-CD1 3.48Å; V15-F38 HydrophobicContact CG2-CE1 3.53Å; V15-D276 WeakPolarHBondContact CA-OD2 3.3Å; V15-D276 HydrophobicContact CB-CB 4.4Å; V15-Y496 HydrophobicContact CB-CE2 4.47Å; V15-Y496 HydrophobicContact CG1-CD1 4.44Å; V15-Y496 HydrophobicContact CG1-CE1 3.71Å; V15-Y496 HydrophobicContact CG1-CE2 4.21Å; V15-Y496 WeakPolarHBondContact CG1-OH 3.38Å; V15-Y496 HydrophobicContact CG2-CD2 4.47Å; V15-Y496 HydrophobicContact CG2-CE2 4.02Å
16N94.5Very high77.6Confident55 Ų5537.7 Ų37.729%0.29425%0.25SS..  trans-86.8110.3-174.9-59.94.8000108.8N40 D276 H277N16-N40 PolarHBondContact OD1-ND2 2.96Å; N16-D276 PolarHBondContact N-OD2 2.92Å; N16-D276 PolarHBondContact O-N 3.09Å; N16-H277 PolarHBondContact O-N 3.07Å
17I97.3Very high80.5Confident0 Ų034.9 Ų34.90%023%0.227CC..EExtended strand (participates in β ladder)trans-113124.2179.3-56.8171000108.7V15 I19 L33 F38 N40 V41 H42 H277 I279 L492V15-I17 HydrophobicContact CG2-CD1 4.1Å; V15-I17 HydrophobicContact CG2-CG1 4.19Å; V15-I17 PolarHBondContact O-N 2.84Å; I17-I19 HydrophobicContact CG2-CG1 4.44Å; I17-L33 HydrophobicContact CD1-CD1 3.94Å; I17-L33 HydrophobicContact CD1-CD2 3.91Å; I17-L33 HydrophobicContact CD1-CG 4.49Å; I17-L33 HydrophobicContact CG2-CD1 3.96Å; I17-F38 HydrophobicContact CD1-CD1 3.63Å; I17-F38 HydrophobicContact CD1-CE1 4.15Å; I17-F38 HydrophobicContact CD1-CG 4.31Å; I17-N40 PolarHBondContact N-O 3.25Å; I17-V41 HydrophobicContact CB-CG2 4.42Å; I17-V41 HydrophobicContact CD1-CG2 4.48Å; I17-V41 CarbonylContact O-C 3.55Å; I17-V41 WeakPolarHBondContact O-CA 3.46Å; I17-H42 PolarHBondContact O-N 3.27Å; I17-H277 WeakPolarHBondContact CA-O 3.4Å; I17-H277 HydrophobicContact CG1-CB 4.4Å; I17-I279 HydrophobicContact CG2-CD1 4.46Å; I17-I279 HydrophobicContact CG2-CG1 4.47Å; I17-L492 HydrophobicContact CD1-CD1 3.89Å; I17-L492 HydrophobicContact CG1-CD1 4.32Å; I17-L492 HydrophobicContact CG2-CD1 4.11Å
18V98.6Very high83.5Confident3 Ų331.9 Ų31.92%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-108132.7173.1174.50000109.5H42 L44 V265 M273 A275 H277 V278 I279V18-H42 CarbonylContact C-O 3.6Å; V18-H42 WeakPolarHBondContact CA-O 3.46Å; V18-L44 HydrophobicContact CG1-CD1 3.8Å; V18-L44 HydrophobicContact CG1-CG 3.98Å; V18-V265 HydrophobicContact CB-CG2 4.24Å; V18-V265 HydrophobicContact CG1-CB 4.47Å; V18-V265 HydrophobicContact CG1-CG1 4.44Å; V18-V265 HydrophobicContact CG1-CG2 4Å; V18-M273 HydrophobicContact CG2-CE 4.34Å; V18-A275 HydrophobicContact CB-CB 4.2Å; V18-A275 HydrophobicContact CG2-CB 3.79Å; V18-H277 PolarHBondContact N-O 2.83Å; V18-V278 HydrophobicContact CB-CG2 4.42Å; V18-V278 CarbonylContact O-C 3.56Å; V18-V278 WeakPolarHBondContact O-CA 3.42Å; V18-I279 PolarHBondContact O-N 3.47Å
19I98.9Very high86.2Confident0 Ų029.1 Ų29.10%018%0.179CC..EExtended strand (participates in β ladder)trans-112125176.1-59.1171.1000107.3I17 A29 A30 L33 V41 H42 I43 L44 I279 T281I17-I19 HydrophobicContact CG2-CG1 4.44Å; I19-A29 HydrophobicContact CD1-CB 4.17Å; I19-A30 HydrophobicContact CD1-CB 3.67Å; I19-L33 HydrophobicContact CD1-CD1 4.43Å; I19-V41 HydrophobicContact CD1-CG1 3.69Å; I19-V41 HydrophobicContact CG1-CG1 4.37Å; I19-H42 PolarHBondContact N-O 2.78Å; I19-I43 HydrophobicContact CB-CG1 3.98Å; I19-I43 HydrophobicContact CD1-CG1 4.16Å; I19-I43 HydrophobicContact CG2-CG1 4.31Å; I19-I43 CarbonylContact O-C 3.51Å; I19-I43 WeakPolarHBondContact O-CA 3.38Å; I19-L44 PolarHBondContact O-N 2.85Å; I19-I279 CarbonylContact C-O 3.42Å; I19-I279 WeakPolarHBondContact CA-O 3.48Å; I19-I279 HydrophobicContact CG1-CB 4.18Å; I19-I279 HydrophobicContact CG1-CD1 4.31Å; I19-I279 HydrophobicContact CG1-CG1 4.47Å; I19-T281 HydrophobicContact CG2-CG2 4.19Å
20V98.9Very high88.8Confident8 Ų824 Ų245%0.04815%0.153CC..EExtended strand (participates in β ladder)trans-96.4108178.7-175.40000108.6V249 V278 I279 T281 V282V20-V249 HydrophobicContact CG1-CB 3.83Å; V20-V249 HydrophobicContact CG1-CG1 4.32Å; V20-V249 HydrophobicContact CG1-CG2 3.78Å; V20-V249 HydrophobicContact CG2-CG1 4.4Å; V20-V249 HydrophobicContact CG2-CG2 4.09Å; V20-V278 HydrophobicContact CG2-CG1 3.84Å; V20-I279 PolarHBondContact N-O 2.66Å; V20-T281 WeakPolarHBondContact O-CA 3.38Å; V20-T281 PolarHBondContact O-N 2.67Å; V20-T281 PolarHBondContact O-OG1 2.76Å; V20-V282 HydrophobicContact CG1-CG1 3.86Å
21G98.8Very high91.2Very high12 Ų1222.1 Ų22.112%0.12413%0.133CC..  trans103.9129.7-177.900000113.6G23 L44 T281G21-G23 VanDerWaalsContact C-N 3.33Å; G21-L44 PolarHBondContact N-O 3.46Å; G21-T281 PolarHBondContact O-OG1 3.13Å
22S98.6Very high93.5Very high0 Ų024 Ų240%013%0.125CC..  trans-98.836.9172.8-164.10000111.4I27 E45 S50 G51S22-I27 WeakPolarHBondContact O-CD1 3.27Å; S22-E45 PolarHBondContact N-OE2 3.26Å; S22-S50 WeakPolarHBondContact OG-CB 3.47Å; S22-S50 PolarHBondContact OG-OG 2.88Å; S22-G51 PolarHBondContact O-N 3.14Å
23G98.8Very high95.4Very high16 Ų1621 Ų2117%0.16511%0.109CC..BIsolated β-bridgetrans-74.2171.9162.500000111.1G21 A25 G26 I27G21-G23 VanDerWaalsContact C-N 3.33Å; G23-A25 PolarHBondContact O-N 2.84Å; G23-A25 VanDerWaalsContact O-N 3.08Å; G23-G26 PolarHBondContact O-N 2.88Å; G23-I27 WeakPolarHBondContact O-CG1 3.47Å; G23-I27 PolarHBondContact O-N 2.77Å
24I98.8Very high96.9Very high9 Ų918.5 Ų18.55%0.04610%0.101CC..Hα-helixtrans-53.3-35.4-178-170.464.9000113.6A28 I54 L230 I231 L234 V478 A481 L482I24-A28 WeakPolarHBondContact O-CB 3.2Å; I24-A28 PolarHBondContact O-N 3.4Å; I24-I54 HydrophobicContact CB-CD1 3.91Å; I24-I54 HydrophobicContact CG1-CD1 4.46Å; I24-I54 HydrophobicContact CG2-CD1 4.23Å; I24-L230 HydrophobicContact CD1-CD2 4.37Å; I24-I231 HydrophobicContact CB-CD1 4.34Å; I24-I231 HydrophobicContact CD1-CD1 3.79Å; I24-L234 HydrophobicContact CD1-CD1 3.43Å; I24-L234 VanDerWaalsContact CD1-CD1 3.43Å; I24-V478 HydrophobicContact CG1-CG1 4.22Å; I24-V478 HydrophobicContact CG2-CG1 4.25Å; I24-A481 HydrophobicContact CG2-CB 3.48Å; I24-A481 VanDerWaalsContact CG2-CB 3.48Å; I24-L482 HydrophobicContact CD1-CD1 4.21Å; I24-L482 HydrophobicContact CG1-CB 3.95Å; I24-L482 HydrophobicContact CG1-CD1 4.15Å; I24-L482 HydrophobicContact CG1-CG 4.37Å
25A98.9Very high97.7Very high4 Ų417.2 Ų17.23%0.03310%0.097CC..Hα-helixtrans-64.3-44.3176.400000112.3G23 A29 T281 A466 A481 G485G23-A25 PolarHBondContact O-N 2.84Å; G23-A25 VanDerWaalsContact O-N 3.08Å; A25-A29 WeakPolarHBondContact O-CB 3.46Å; A25-A29 PolarHBondContact O-N 2.77Å; A25-T281 HydrophobicContact CB-CG2 4.27Å; A25-A466 HydrophobicContact CB-CB 4.35Å; A25-A481 WeakPolarHBondContact CA-O 3.45Å; A25-A481 HydrophobicContact CB-CB 4.28Å; A25-A481 VanDerWaalsContact CB-O 3.22Å; A25-A481 WeakPolarHBondContact CB-O 3.47Å; A25-G485 WeakPolarHBondContact O-CA 3.41Å
26G98.9Very high97.9Very high0 Ų018.4 Ų18.40%011%0.105CC..Hα-helixtrans-68.9-42.1178.600000112.2G23 A29 A30G23-G26 PolarHBondContact O-N 2.88Å; G26-A29 PolarHBondContact O-N 2.92Å; G26-A30 WeakPolarHBondContact O-CB 3.33Å; G26-A30 PolarHBondContact O-N 2.71Å
27I98.9Very high97.9Very high0 Ų016.8 Ų16.80%010%0.102CC..Hα-helixtrans-62.3-47.7175.8-63.7170.4000110.6S22 G23 A29 A30 H31 I231 L234 M235 L238S22-I27 WeakPolarHBondContact O-CD1 3.27Å; G23-I27 WeakPolarHBondContact O-CG1 3.47Å; G23-I27 PolarHBondContact O-N 2.77Å; I27-A29 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 3.05Å; I27-A30 PolarHBondContact O-N 2.83Å; I27-H31 WeakPolarHBondContact O-CB 3.38Å; I27-H31 PolarHBondContact O-N 3.43Å; I27-I231 HydrophobicContact CD1-CD1 4.1Å; I27-I231 HydrophobicContact CD1-CG2 3.91Å; I27-L234 HydrophobicContact CG2-CB 3.77Å; I27-L234 HydrophobicContact CG2-CD1 4.39Å; I27-M235 HydrophobicContact CD1-CG 4.19Å; I27-M235 HydrophobicContact CD1-SD 3.76Å; I27-M235 HydrophobicContact CG1-SD 3.74Å; I27-M235 HydrophobicContact CG2-SD 4.04Å; I27-L238 HydrophobicContact CG2-CD1 4.2Å
28A98.8Very high97.8Very high2 Ų217 Ų172%0.01710%0.103CC..Hα-helixtrans-61.6-39.6178.100000112.1I24 R32 L482I24-A28 WeakPolarHBondContact O-CB 3.2Å; I24-A28 PolarHBondContact O-N 3.4Å; A28-R32 VanDerWaalsContact O-CB 3.32Å; A28-R32 WeakPolarHBondContact O-CB 3.35Å; A28-R32 PolarHBondContact O-N 3.46Å; A28-L482 HydrophobicContact CB-CG 4.07Å
29A98.9Very high97.5Very high0 Ų023.2 Ų23.20%014%0.136CC..Hα-helixtrans-63.8-46.8174.500000111.7I19 A25 G26 I27 H31 R32 L33 I279 G485 A489I19-A29 HydrophobicContact CD1-CB 4.17Å; A25-A29 WeakPolarHBondContact O-CB 3.46Å; A25-A29 PolarHBondContact O-N 2.77Å; G26-A29 PolarHBondContact O-N 2.92Å; I27-A29 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 3.05Å; A29-H31 PolarHBondContact O-N 2.96Å; A29-R32 PolarHBondContact O-N 3.43Å; A29-L33 WeakPolarHBondContact O-CB 3.37Å; A29-L33 VanDerWaalsContact O-CG 3.26Å; A29-L33 WeakPolarHBondContact O-CG 3.36Å; A29-L33 PolarHBondContact O-N 3.38Å; A29-I279 HydrophobicContact CB-CD1 4.01Å; A29-G485 WeakPolarHBondContact CA-O 3.22Å; A29-G485 WeakPolarHBondContact CB-O 3.45Å; A29-A489 HydrophobicContact CB-CB 4.37Å
30A98.8Very high97.3Very high0 Ų025.2 Ų25.20%015%0.147CC..Hα-helixtrans-61.1-44.8178.500000112.1I19 G26 I27 L33 T34 V41 I43 L238 I242I19-A30 HydrophobicContact CD1-CB 3.67Å; G26-A30 WeakPolarHBondContact O-CB 3.33Å; G26-A30 PolarHBondContact O-N 2.71Å; I27-A30 PolarHBondContact O-N 2.83Å; A30-L33 PolarHBondContact O-N 2.75Å; A30-T34 WeakPolarHBondContact O-CB 3Å; A30-T34 VanDerWaalsContact O-CG2 3.28Å; A30-T34 WeakPolarHBondContact O-CG2 3.37Å; A30-T34 PolarHBondContact O-N 3.49Å; A30-T34 PolarHBondContact O-OG1 2.99Å; A30-V41 HydrophobicContact CB-CG1 4.26Å; A30-I43 HydrophobicContact CB-CD1 3.68Å; A30-I43 HydrophobicContact CB-CG1 4.14Å; A30-L238 HydrophobicContact CB-CD1 4.27Å; A30-L238 HydrophobicContact CB-CD2 4.38Å; A30-I242 HydrophobicContact CB-CD1 3.9Å
31H98.3Very high97.2Very high31 Ų3125.1 Ų25.114%0.14415%0.146CC..Hα-helixtrans-59.5-50.2176.4-177-87000111.6I27 A29 L33 T34 T35 E237 L238I27-H31 WeakPolarHBondContact O-CB 3.38Å; I27-H31 PolarHBondContact O-N 3.43Å; A29-H31 PolarHBondContact O-N 2.96Å; H31-L33 PolarHBondContact O-N 3.01Å; H31-T34 PolarHBondContact O-N 2.7Å; H31-T34 PolarHBondContact O-OG1 2.84Å; H31-T35 WeakPolarHBondContact O-CB 3.32Å; H31-T35 WeakPolarHBondContact O-CG2 3.43Å; H31-T35 PolarHBondContact O-N 2.83Å; H31-T35 PolarHBondContact O-OG1 2.76Å; H31-E237 IonicContact CD2-OE2 2.6Å; H31-E237 IonicContact CE1-OE2 3.35Å; H31-E237 IonicContact NE2-OE2 2.97Å; H31-E237 PolarHBondContact NE2-OE2 2.98Å; H31-L238 VanDerWaalsContact CA-CD2 3.47Å; H31-L238 HydrophobicContact CB-CD2 3.93Å
32R98.1Very high97.2Very high90 Ų9026.3 Ų26.334%0.3415%0.148SC..Hα-helixtrans-61.7-39.8178.4-169.368.5163.7-154.5-10.3113.1A28 A29 T35 S36 A489 D490 I493A28-R32 VanDerWaalsContact O-CB 3.32Å; A28-R32 WeakPolarHBondContact O-CB 3.35Å; A28-R32 PolarHBondContact O-N 3.46Å; A29-R32 PolarHBondContact O-N 3.43Å; R32-T35 WeakPolarHBondContact CA-OG1 3.4Å; R32-T35 PolarHBondContact O-OG1 2.9Å; R32-S36 WeakPolarHBondContact O-CB 3.45Å; R32-S36 PolarHBondContact O-N 2.89Å; R32-S36 PolarHBondContact O-OG 2.92Å; R32-A489 HydrophobicContact CB-CB 3.64Å; R32-A489 HydrophobicContact CG-CB 3.72Å; R32-D490 WeakPolarHBondContact CG-OD1 3.49Å; R32-D490 IonicContact CZ-OD1 3.04Å; R32-D490 IonicContact CZ-OD2 2.69Å; R32-D490 IonicContact NE-OD1 3.83Å; R32-D490 PolarHBondContact NE-OD1 3.35Å; R32-D490 IonicContact NE-OD2 2.76Å; R32-D490 IonicContact NH2-OD1 3.1Å; R32-D490 PolarHBondContact NH2-OD1 2.92Å; R32-D490 IonicContact NH2-OD2 2.76Å; R32-D490 PolarHBondContact NH2-OD2 3.46Å; R32-I493 HydrophobicContact CG-CD1 4.05Å
33L97.8Very high97.2Very high0 Ų026.3 Ų26.30%015%0.148CC..Hα-helixtrans-67.8-48.9177-73.1168.1000112.3I17 I19 A29 A30 H31 S36 G37 F38 V41 I279 A489 L492 I493I17-L33 HydrophobicContact CD1-CD1 3.94Å; I17-L33 HydrophobicContact CD1-CD2 3.91Å; I17-L33 HydrophobicContact CD1-CG 4.49Å; I17-L33 HydrophobicContact CG2-CD1 3.96Å; I19-L33 HydrophobicContact CD1-CD1 4.43Å; A29-L33 WeakPolarHBondContact O-CB 3.37Å; A29-L33 VanDerWaalsContact O-CG 3.26Å; A29-L33 WeakPolarHBondContact O-CG 3.36Å; A29-L33 PolarHBondContact O-N 3.38Å; A30-L33 PolarHBondContact O-N 2.75Å; H31-L33 PolarHBondContact O-N 3.01Å; L33-S36 CarbonylContact O-C 3.54Å; L33-S36 WeakPolarHBondContact O-CA 3.31Å; L33-S36 WeakPolarHBondContact O-CB 3.36Å; L33-S36 PolarHBondContact O-N 3.47Å; L33-S36 VanDerWaalsContact O-N 3.1Å; L33-G37 PolarHBondContact O-N 2.77Å; L33-F38 HydrophobicContact CB-CB 4.22Å; L33-F38 HydrophobicContact CD2-CD2 4.15Å; L33-F38 HydrophobicContact CD2-CE2 4.44Å; L33-F38 HydrophobicContact CD2-CG 4.21Å; L33-F38 WeakPolarHBondContact O-CB 3.41Å; L33-F38 WeakPolarHBondContact O-CD2 3.18Å; L33-F38 PolarHBondContact O-N 3.27Å; L33-F38 VanDerWaalsContact O-N 3.09Å; L33-V41 HydrophobicContact CB-CG2 3.94Å; L33-V41 HydrophobicContact CD1-CG1 4.28Å; L33-V41 HydrophobicContact CD1-CG2 4.3Å; L33-I279 HydrophobicContact CD1-CD1 4.05Å; L33-A489 HydrophobicContact CD2-CB 4.14Å; L33-A489 HydrophobicContact CG-CB 3.79Å; L33-L492 HydrophobicContact CD2-CB 4.16Å; L33-L492 HydrophobicContact CD2-CD1 4.45Å; L33-I493 HydrophobicContact CD2-CG1 4.2Å
34T96.2Very high97.2Very high32 Ų3225.6 Ų25.620%0.19614%0.141CC..Hα-helixtrans-65-44.8-177.750.10000111.8A30 H31 S36 G37 V41 I242A30-T34 WeakPolarHBondContact O-CB 3Å; A30-T34 VanDerWaalsContact O-CG2 3.28Å; A30-T34 WeakPolarHBondContact O-CG2 3.37Å; A30-T34 PolarHBondContact O-N 3.49Å; A30-T34 PolarHBondContact O-OG1 2.99Å; H31-T34 PolarHBondContact O-N 2.7Å; H31-T34 PolarHBondContact O-OG1 2.84Å; T34-S36 PolarHBondContact O-N 2.87Å; T34-G37 WeakPolarHBondContact O-CA 3.23Å; T34-G37 PolarHBondContact O-N 3.42Å; T34-V41 HydrophobicContact CG2-CB 4.38Å; T34-V41 HydrophobicContact CG2-CG2 4.33Å; T34-I242 HydrophobicContact CG2-CD1 3.8Å
35T95Very high97.2Very high89 Ų8925.8 Ų25.855%0.54614%0.142SC..Hα-helixtrans-60.7-26.4172.5540000113.1H31 R32 G37H31-T35 WeakPolarHBondContact O-CB 3.32Å; H31-T35 WeakPolarHBondContact O-CG2 3.43Å; H31-T35 PolarHBondContact O-N 2.83Å; H31-T35 PolarHBondContact O-OG1 2.76Å; R32-T35 WeakPolarHBondContact CA-OG1 3.4Å; R32-T35 PolarHBondContact O-OG1 2.9Å; T35-G37 VanDerWaalsContact C-N 3.25Å; T35-G37 PolarHBondContact O-N 3.47Å
36S95.3Very high97.2Very high35 Ų3526.7 Ų26.725%0.24515%0.149CC..THydrogen-bonded Turntrans-83.41.7173.7-61.10000113.7K13 R32 L33 T34 I493K13-S36 PolarHBondContact NZ-O 3.44Å; R32-S36 WeakPolarHBondContact O-CB 3.45Å; R32-S36 PolarHBondContact O-N 2.89Å; R32-S36 PolarHBondContact O-OG 2.92Å; L33-S36 CarbonylContact O-C 3.54Å; L33-S36 WeakPolarHBondContact O-CA 3.31Å; L33-S36 WeakPolarHBondContact O-CB 3.36Å; L33-S36 PolarHBondContact O-N 3.47Å; L33-S36 VanDerWaalsContact O-N 3.1Å; T34-S36 PolarHBondContact O-N 2.87Å; S36-I493 WeakPolarHBondContact OG-CD1 3.48Å
37G93.9Very high97.1Very high21 Ų2128 Ų2822%0.21616%0.157CC..THydrogen-bonded Turntrans86.117.5175.800000114.8K13 L33 T34 T35 N39K13-G37 WeakPolarHBondContact CD-O 3.31Å; L33-G37 PolarHBondContact O-N 2.77Å; T34-G37 WeakPolarHBondContact O-CA 3.23Å; T34-G37 PolarHBondContact O-N 3.42Å; T35-G37 VanDerWaalsContact C-N 3.25Å; T35-G37 PolarHBondContact O-N 3.47Å; G37-N39 PolarHBondContact O-N 3.32Å; G37-N39 PolarHBondContact O-OD1 3.03Å
38F94.7Very high97.1Very high5 Ų535.6 Ų35.62%0.02219%0.193CC..  trans-77.4116167.7-71.5-103.2000108.5V15 I17 L33 V41 I493 Y496V15-F38 HydrophobicContact CG2-CD1 3.48Å; V15-F38 VanDerWaalsContact CG2-CD1 3.48Å; V15-F38 HydrophobicContact CG2-CE1 3.53Å; I17-F38 HydrophobicContact CD1-CD1 3.63Å; I17-F38 HydrophobicContact CD1-CE1 4.15Å; I17-F38 HydrophobicContact CD1-CG 4.31Å; L33-F38 HydrophobicContact CB-CB 4.22Å; L33-F38 HydrophobicContact CD2-CD2 4.15Å; L33-F38 HydrophobicContact CD2-CE2 4.44Å; L33-F38 HydrophobicContact CD2-CG 4.21Å; L33-F38 WeakPolarHBondContact O-CB 3.41Å; L33-F38 WeakPolarHBondContact O-CD2 3.18Å; L33-F38 PolarHBondContact O-N 3.27Å; L33-F38 VanDerWaalsContact O-N 3.09Å; F38-V41 HydrophobicContact CB-CG2 4Å; F38-I493 HydrophobicContact CD2-CG1 4.34Å; F38-I493 HydrophobicContact CE2-CB 4.36Å; F38-I493 HydrophobicContact CE2-CG1 3.67Å; F38-I493 HydrophobicContact CZ-CG1 4.36Å; F38-Y496 AromaticContact CE1-CD2 3.81Å; F38-Y496 HydrophobicContact CE1-CD2 3.81Å; F38-Y496 HydrophobicContact CE1-CE2 4.43Å; F38-Y496 HydrophobicContact CE1-CG 4.37Å; F38-Y496 HydrophobicContact CZ-CD2 4.05Å; F38-Y496 HydrophobicContact CZ-CG 4.42Å
39N91.5Very high97Very high134 Ų13438.3 Ų38.372%0.71720%0.202SC*.  trans-98.1-12-169.1-59-38.4000113.7G37G37-N39 PolarHBondContact O-N 3.32Å; G37-N39 PolarHBondContact O-OD1 3.03Å
40N95.2Very high97Very high41 Ų4138.9 Ų38.922%0.21921%0.206CC..  trans-117.163.5-177.9-160.823.5000111.8N16 I17 H42N16-N40 PolarHBondContact OD1-ND2 2.96Å; I17-N40 PolarHBondContact N-O 3.25Å; N40-H42 PolarHBondContact OD1-CD2 2.81Å; N40-H42 PolarHBondContact OD1-NE2 3.01Å
41V97.7Very high97Very high7 Ų739 Ų394%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-108.1132.1177.2-174.80000108.1I17 I19 A30 L33 T34 F38 I242I17-V41 HydrophobicContact CB-CG2 4.42Å; I17-V41 HydrophobicContact CD1-CG2 4.48Å; I17-V41 CarbonylContact O-C 3.55Å; I17-V41 WeakPolarHBondContact O-CA 3.46Å; I19-V41 HydrophobicContact CD1-CG1 3.69Å; I19-V41 HydrophobicContact CG1-CG1 4.37Å; A30-V41 HydrophobicContact CB-CG1 4.26Å; L33-V41 HydrophobicContact CB-CG2 3.94Å; L33-V41 HydrophobicContact CD1-CG1 4.28Å; L33-V41 HydrophobicContact CD1-CG2 4.3Å; T34-V41 HydrophobicContact CG2-CB 4.38Å; T34-V41 HydrophobicContact CG2-CG2 4.33Å; F38-V41 HydrophobicContact CB-CG2 4Å; V41-I242 HydrophobicContact CB-CD1 4.41Å; V41-I242 HydrophobicContact CG1-CD1 4.38Å; V41-I242 WeakPolarHBondContact O-CG1 3.43Å
42H97.9Very high96.9Very high36 Ų3638.5 Ų38.517%0.16721%0.211CC..EExtended strand (participates in β ladder)trans-131.6137176.7-62.8-85.4000110I17 V18 I19 N40 I242 M273I17-H42 PolarHBondContact O-N 3.27Å; V18-H42 CarbonylContact C-O 3.6Å; V18-H42 WeakPolarHBondContact CA-O 3.46Å; I19-H42 PolarHBondContact N-O 2.78Å; N40-H42 PolarHBondContact OD1-CD2 2.81Å; N40-H42 PolarHBondContact OD1-NE2 3.01Å; H42-I242 CarbonylContact C-O 3.55Å; H42-I242 WeakPolarHBondContact CA-O 3.46Å; H42-M273 HydrophobicContact CB-CE 4.34Å
43I98.8Very high96.9Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-103.3130.3170.4-58.4163.5000108.7I19 A30 I242 V243 R244I19-I43 HydrophobicContact CB-CG1 3.98Å; I19-I43 HydrophobicContact CD1-CG1 4.16Å; I19-I43 HydrophobicContact CG2-CG1 4.31Å; I19-I43 CarbonylContact O-C 3.51Å; I19-I43 WeakPolarHBondContact O-CA 3.38Å; A30-I43 HydrophobicContact CB-CD1 3.68Å; A30-I43 HydrophobicContact CB-CG1 4.14Å; I43-I242 PolarHBondContact N-O 2.84Å; I43-V243 HydrophobicContact CB-CB 4.46Å; I43-V243 HydrophobicContact CB-CG1 4.25Å; I43-V243 HydrophobicContact CB-CG2 4.15Å; I43-V243 HydrophobicContact CD1-CG2 3.93Å; I43-V243 HydrophobicContact CG2-CG1 4.23Å; I43-V243 WeakPolarHBondContact O-CA 3.39Å; I43-R244 PolarHBondContact O-N 3.13Å
44L98.8Very high97Very high2 Ų236.9 Ų36.91%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-103.6116.4169.8-57.7-178.1000108.8V18 I19 G21 R244 R247 V249 V265 M273V18-L44 HydrophobicContact CG1-CD1 3.8Å; V18-L44 HydrophobicContact CG1-CG 3.98Å; I19-L44 PolarHBondContact O-N 2.85Å; G21-L44 PolarHBondContact N-O 3.46Å; L44-R244 HydrophobicContact CD2-CB 3.92Å; L44-R244 HydrophobicContact CD2-CG 4.31Å; L44-R247 HydrophobicContact CD2-CB 4.45Å; L44-R247 HydrophobicContact CD2-CG 4.37Å; L44-V249 HydrophobicContact CB-CG2 3.83Å; L44-V249 HydrophobicContact CD1-CG2 3.63Å; L44-V249 HydrophobicContact CG-CG2 4.39Å; L44-V265 HydrophobicContact CD1-CG1 3.75Å; L44-M273 HydrophobicContact CD1-SD 3.95Å; L44-M273 HydrophobicContact CD2-SD 3.8Å; L44-M273 HydrophobicContact CG-SD 4.39Å
45E98.8Very high97Very high13 Ų1339.1 Ų39.16%0.06121%0.212CC..  trans-113.8126.1-178.3176.344-127.600109.9S22 T47 R49 V243 R244 Y245 N246 R247S22-E45 PolarHBondContact N-OE2 3.26Å; E45-T47 VanDerWaalsContact C-N 3.27Å; E45-T47 PolarHBondContact O-N 2.72Å; E45-T47 WeakPolarHBondContact OE1-CB 3.28Å; E45-T47 WeakPolarHBondContact OE1-CG2 3.44Å; E45-T47 PolarHBondContact OE1-N 2.83Å; E45-T47 PolarHBondContact OE1-OG1 2.93Å; E45-R49 VanDerWaalsContact CG-O 3.31Å; E45-R49 WeakPolarHBondContact CG-O 3.45Å; E45-V243 HydrophobicContact CB-CG1 3.96Å; E45-R244 PolarHBondContact N-O 3.01Å; E45-Y245 HydrophobicContact CB-CD1 3.91Å; E45-Y245 HydrophobicContact CB-CE1 4.31Å; E45-Y245 HydrophobicContact CG-CD1 3.74Å; E45-Y245 HydrophobicContact CG-CE1 4.07Å; E45-Y245 CarbonylContact O-C 3.55Å; E45-N246 PolarHBondContact O-N 2.88Å; E45-N246 VanDerWaalsContact O-N 3.09Å; E45-R247 PolarHBondContact O-N 3.11Å
46A98.6Very high97.1Very high22 Ų2236.2 Ų36.218%0.18219%0.194CC..SBendtrans-67.4-31.8-176.900000112.3P248 W427A46-P248 HydrophobicContact CB-CB 3.96Å; A46-W427 HydrophobicContact CB-CD2 3.62Å; A46-W427 HydrophobicContact CB-CE3 3.58Å; A46-W427 HydrophobicContact CB-CG 4.24Å; A46-W427 HydrophobicContact CB-CH2 4.14Å; A46-W427 HydrophobicContact CB-CZ2 4.15Å; A46-W427 HydrophobicContact CB-CZ3 3.85Å
47T98.1Very high97.1Very high29 Ų2935.2 Ų35.218%0.17819%0.19CC..SBendtrans-95.8179.5-177.6720000112.4E45 R49 Y245 N246 W427E45-T47 VanDerWaalsContact C-N 3.27Å; E45-T47 PolarHBondContact O-N 2.72Å; E45-T47 WeakPolarHBondContact OE1-CB 3.28Å; E45-T47 WeakPolarHBondContact OE1-CG2 3.44Å; E45-T47 PolarHBondContact OE1-N 2.83Å; E45-T47 PolarHBondContact OE1-OG1 2.93Å; T47-R49 VanDerWaalsContact C-N 3.29Å; T47-R49 PolarHBondContact OG1-N 2.94Å; T47-R49 PolarHBondContact OG1-O 2.96Å; T47-Y245 WeakPolarHBondContact O-CB 3.09Å; T47-N246 PolarHBondContact O-N 3.09Å; T47-W427 VanDerWaalsContact CG2-CD1 3.47Å; T47-W427 HydrophobicContact CG2-CG 4.08Å
48E97.7Very high97Very high159 Ų15941.9 Ų41.974%0.74321%0.208SC*.SBendtrans-83.30.9175.166.3-172168.600114
49R97.6Very high96.8Very high59 Ų5942.3 Ų42.322%0.22321%0.211CC..SBendtrans-140.3158.6-174.570.6174.3-174.691.416.6113.6E45 T47 G52 I54 E228 Y245E45-R49 VanDerWaalsContact CG-O 3.31Å; E45-R49 WeakPolarHBondContact CG-O 3.45Å; T47-R49 VanDerWaalsContact C-N 3.29Å; T47-R49 PolarHBondContact OG1-N 2.94Å; T47-R49 PolarHBondContact OG1-O 2.96Å; R49-G52 PolarHBondContact NH2-O 3.47Å; R49-I54 PolarHBondContact NH1-O 3.34Å; R49-E228 IonicContact CZ-OE1 2.81Å; R49-E228 IonicContact NH1-OE1 3.42Å; R49-E228 PolarHBondContact NH1-OE1 3.11Å; R49-Y245 VanDerWaalsContact C-CE1 3.48Å
50S98.4Very high96.7Very high12 Ų1240.6 Ų40.68%0.08420%0.202CC..SBendtrans-87.4164.1168.6-69.30000111.8S22 Y245S22-S50 WeakPolarHBondContact OG-CB 3.47Å; S22-S50 PolarHBondContact OG-OG 2.88Å; S50-Y245 WeakPolarHBondContact OG-CE1 3.13Å; S50-Y245 PolarHBondContact OG-OH 3.31Å
51G97.8Very high96.3Very high2 Ų244.7 Ų44.72%0.02122%0.223CC..BIsolated β-bridgetrans108.5-27.2173.900000114.4S22 R53 I54S22-G51 PolarHBondContact O-N 3.14Å; G51-R53 PolarHBondContact O-N 3.09Å; G51-R53 VanDerWaalsContact O-N 3.14Å; G51-I54 CarbonylContact C-O 3.5Å; G51-I54 WeakPolarHBondContact O-CB 3.44Å; G51-I54 PolarHBondContact O-N 2.96Å
52G97.9Very high96.1Very high21 Ų2145.5 Ų45.522%0.21623%0.226CC..THydrogen-bonded Turntrans57.3-116.4178.600000111.8R49 I54R49-G52 PolarHBondContact NH2-O 3.47Å; G52-I54 PolarHBondContact O-N 3.5Å
53R98.1Very high95.9Very high52 Ų5245.3 Ų45.320%0.19623%0.226CC..THydrogen-bonded Turntrans-74.6-3.8178.4-73.4173.5-77.1169.30.5114.6G51 G67 A68 W422 T428 S431 E468G51-R53 PolarHBondContact O-N 3.09Å; G51-R53 VanDerWaalsContact O-N 3.14Å; R53-G67 WeakPolarHBondContact O-CA 3.49Å; R53-A68 PolarHBondContact O-N 3Å; R53-W422 HydrophobicContact CB-CH2 4.3Å; R53-W422 HydrophobicContact CB-CZ3 4.24Å; R53-W422 HydrophobicContact CG-CE3 4.1Å; R53-W422 HydrophobicContact CG-CH2 4.3Å; R53-W422 HydrophobicContact CG-CZ3 3.74Å; R53-T428 HydrophobicContact CG-CG2 3.68Å; R53-S431 WeakPolarHBondContact CD-O 3.31Å; R53-S431 PolarHBondContact NH1-O 3.45Å; R53-E468 IonicContact CZ-OE1 3.19Å; R53-E468 IonicContact NH1-OE1 2.67Å; R53-E468 PolarHBondContact NH1-OE1 2.89Å; R53-E468 IonicContact NH2-OE1 2.73Å; R53-E468 PolarHBondContact NH2-OE1 3.4Å
54I98.4Very high95.8Very high4 Ų445.4 Ų45.42%0.02123%0.227CC..  trans-85.4111.5161.9-58.9171.8000105.7I24 R49 G51 G52 A68 Y227 E228 I231 V478I24-I54 HydrophobicContact CB-CD1 3.91Å; I24-I54 HydrophobicContact CG1-CD1 4.46Å; I24-I54 HydrophobicContact CG2-CD1 4.23Å; R49-I54 PolarHBondContact NH1-O 3.34Å; G51-I54 CarbonylContact C-O 3.5Å; G51-I54 WeakPolarHBondContact O-CB 3.44Å; G51-I54 PolarHBondContact O-N 2.96Å; G52-I54 PolarHBondContact O-N 3.5Å; I54-A68 HydrophobicContact CG1-CB 4.06Å; I54-Y227 HydrophobicContact CD1-CD1 4.42Å; I54-Y227 HydrophobicContact CD1-CE1 4.44Å; I54-Y227 HydrophobicContact CG2-CD1 3.9Å; I54-Y227 HydrophobicContact CG2-CG 3.96Å; I54-E228 HydrophobicContact CG2-CG 4.31Å; I54-I231 HydrophobicContact CB-CG1 4.37Å; I54-I231 HydrophobicContact CD1-CD1 3.86Å; I54-I231 HydrophobicContact CD1-CG1 4.34Å; I54-I231 HydrophobicContact CG2-CG1 4.09Å; I54-V478 HydrophobicContact CD1-CG1 3.74Å; I54-V478 HydrophobicContact CD1-CG2 3.97Å; I54-V478 HydrophobicContact CG1-CG2 4Å
55K97.6Very high95.7Very high78 Ų7846 Ų4634%0.33923%0.229SC..  trans-146.7112.2-173.8-172.9176.9-173.6176.60109.3I66 G67 W422K55-I66 HydrophobicContact CB-CB 4.28Å; K55-I66 HydrophobicContact CD-CB 4.3Å; K55-I66 HydrophobicContact CD-CG2 4.19Å; K55-I66 HydrophobicContact CG-CB 4.16Å; K55-I66 WeakPolarHBondContact O-CA 3.41Å; K55-I66 WeakPolarHBondContact O-CB 3.4Å; K55-I66 PolarHBondContact O-N 3.24Å; K55-G67 PolarHBondContact O-N 3.13Å; K55-G67 VanDerWaalsContact O-N 3.14Å; K55-W422 HydrophobicContact CB-CH2 3.93Å; K55-W422 HydrophobicContact CB-CZ2 4.23Å; K55-W422 HydrophobicContact CD-CH2 4.23Å
56T96.9Very high95.6Very high28 Ų2846.2 Ų46.217%0.17223%0.231CC..EExtended strand (participates in β ladder)trans-93.2132.8174.8-58.10000108.4I63 I64 E65 Y227 E228T56-I63 HydrophobicContact CG2-CG2 3.35Å; T56-I64 CarbonylContact C-O 3.56Å; T56-E65 PolarHBondContact OG1-OE1 2.9Å; T56-E65 PolarHBondContact OG1-OE2 3.49Å; T56-Y227 PolarHBondContact OG1-N 3.01Å; T56-E228 PolarHBondContact OG1-N 3.08Å
57G94.6Very high95.5Very high15 Ų1545.8 Ų45.816%0.15523%0.228CC..EExtended strand (participates in β ladder)trans-113.7176.6175.700000111.2I64G57-I64 PolarHBondContact N-O 3.02Å; G57-I64 PolarHBondContact O-N 2.78Å
58R92.7Very high95.4Very high161 Ų16145.6 Ų45.661%0.60823%0.23SC*.EExtended strand (participates in β ladder)trans-133.8140.7176.7-68.7-176.5177.5-87.6-3.6111.5K62R58-K62 CarbonylContact C-O 3.57Å; R58-K62 VanDerWaalsContact CA-O 3.25Å; R58-K62 WeakPolarHBondContact CA-O 3.49Å
59L90.3Very high95.1Very high14 Ų1439.4 Ų39.47%0.07320%0.202CC..EExtended strand (participates in β ladder)trans-121.596.1166.5-166.677.6000106.9D61 K62 E321 L374 L418L59-D61 PolarHBondContact O-N 3.31Å; L59-K62 PolarHBondContact N-O 2.99Å; L59-K62 VanDerWaalsContact O-CB 3.28Å; L59-K62 WeakPolarHBondContact O-CB 3.42Å; L59-K62 PolarHBondContact O-N 3.22Å; L59-E321 HydrophobicContact CD2-CB 4.01Å; L59-L374 HydrophobicContact CD2-CD1 3.94Å; L59-L374 HydrophobicContact CD2-CD2 4.47Å; L59-L418 HydrophobicContact CD1-CB 4.46Å
60D88.3Confident94.9Very high98 Ų9839.4 Ų39.452%0.52420%0.202SC..THydrogen-bonded Turntrans53.3-117.8-159.9-61.9-22.6000112.6R416D60-R416 IonicContact OD1-CZ 3.54Å; D60-R416 IonicContact OD1-NH1 3.7Å; D60-R416 PolarHBondContact OD1-NH1 2.89Å; D60-R416 IonicContact OD2-CZ 3.34Å; D60-R416 IonicContact OD2-NH1 3.12Å; D60-R416 PolarHBondContact OD2-NH1 3.46Å; D60-R416 IonicContact OD2-NH2 2.66Å; D60-R416 PolarHBondContact OD2-NH2 2.91Å
61D88.3Confident94.6Very high127 Ų12738.9 Ų38.968%0.67920%0.198SC*.THydrogen-bonded Turntrans-83.7-12.8178.861-31.5000112.6L59L59-D61 PolarHBondContact O-N 3.31Å
62K92.8Very high94.3Very high24 Ų2441.9 Ų41.910%0.10421%0.212CC..EExtended strand (participates in β ladder)trans-80.4130.3-177.3-55.3166.9-176.5-175.70110.8R58 L59 E321 Y371 L374R58-K62 CarbonylContact C-O 3.57Å; R58-K62 VanDerWaalsContact CA-O 3.25Å; R58-K62 WeakPolarHBondContact CA-O 3.49Å; L59-K62 PolarHBondContact N-O 2.99Å; L59-K62 VanDerWaalsContact O-CB 3.28Å; L59-K62 WeakPolarHBondContact O-CB 3.42Å; L59-K62 PolarHBondContact O-N 3.22Å; K62-E321 IonicContact NZ-OE1 3.8Å; K62-E321 PolarHBondContact NZ-OE1 2.82Å; K62-Y371 VanDerWaalsContact CD-O 3.25Å; K62-Y371 WeakPolarHBondContact CD-O 3.26Å; K62-Y371 WeakPolarHBondContact CE-O 3.43Å; K62-Y371 PolarHBondContact NZ-O 2.82Å; K62-L374 HydrophobicContact CD-CD2 4.29Å
63I94.3Very high93.9Very high32 Ų3241 Ų4116%0.16420%0.202CC..EExtended strand (participates in β ladder)trans-85.2130.7174.3-64.6177.3000108.4T56 Y371T56-I63 HydrophobicContact CG2-CG2 3.35Å; I63-Y371 WeakPolarHBondContact O-CE1 3.38Å
64I95.7Very high93.4Very high2 Ų238.5 Ų38.51%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-130.9145.9176.855171.2000109.6T56 G57 I66 F319 L365 L374 L418T56-I64 CarbonylContact C-O 3.56Å; G57-I64 PolarHBondContact N-O 3.02Å; G57-I64 PolarHBondContact O-N 2.78Å; I64-I66 HydrophobicContact CD1-CD1 3.76Å; I64-I66 HydrophobicContact CG1-CD1 4.06Å; I64-I66 PolarHBondContact O-N 2.74Å; I64-F319 HydrophobicContact CB-CD1 4.18Å; I64-F319 HydrophobicContact CB-CE1 3.81Å; I64-F319 HydrophobicContact CB-CE2 4.45Å; I64-F319 HydrophobicContact CB-CZ 3.96Å; I64-F319 HydrophobicContact CD1-CD1 4.28Å; I64-F319 HydrophobicContact CD1-CD2 3.75Å; I64-F319 HydrophobicContact CD1-CE1 4.48Å; I64-F319 HydrophobicContact CD1-CE2 3.96Å; I64-F319 HydrophobicContact CD1-CG 3.91Å; I64-F319 HydrophobicContact CD1-CZ 4.32Å; I64-F319 HydrophobicContact CG2-CD1 3.97Å; I64-F319 HydrophobicContact CG2-CE1 3.99Å; I64-L365 HydrophobicContact CG2-CD2 4.03Å; I64-L374 HydrophobicContact CG2-CD2 3.79Å; I64-L418 HydrophobicContact CD1-CD1 4.24Å; I64-L418 HydrophobicContact CD1-CD2 3.85Å
65E96.6Very high93Very high14 Ų1438.6 Ų38.67%0.06519%0.194CC..EExtended strand (participates in β ladder)trans-90.2108.9175.7-71.6-55.1145.800110.6T56 G67 A68 N69 G226 Y227 K317 F319T56-E65 PolarHBondContact OG1-OE1 2.9Å; T56-E65 PolarHBondContact OG1-OE2 3.49Å; E65-G67 VanDerWaalsContact C-N 3.31Å; E65-A68 WeakPolarHBondContact CB-O 3.18Å; E65-A68 WeakPolarHBondContact CG-O 3.5Å; E65-N69 HydrophobicContact CB-CB 4.36Å; E65-N69 WeakPolarHBondContact CB-OD1 3.47Å; E65-G226 WeakPolarHBondContact OE1-CA 3.36Å; E65-Y227 PolarHBondContact OE1-N 3.41Å; E65-K317 VanDerWaalsContact O-CD 3.22Å; E65-K317 WeakPolarHBondContact O-CD 3.47Å; E65-K317 WeakPolarHBondContact O-CE 3.32Å; E65-K317 PolarHBondContact O-NZ 3.38Å; E65-F319 VanDerWaalsContact O-CZ 3.31Å; E65-F319 WeakPolarHBondContact O-CZ 3.46Å
66I97.3Very high92.7Very high18 Ų1838.9 Ų38.99%0.09220%0.196CC..SBendtrans-71.5-33.5174.2-54-55000110.4K55 I64 F319 L418 W422K55-I66 HydrophobicContact CB-CB 4.28Å; K55-I66 HydrophobicContact CD-CB 4.3Å; K55-I66 HydrophobicContact CD-CG2 4.19Å; K55-I66 HydrophobicContact CG-CB 4.16Å; K55-I66 WeakPolarHBondContact O-CA 3.41Å; K55-I66 WeakPolarHBondContact O-CB 3.4Å; K55-I66 PolarHBondContact O-N 3.24Å; I64-I66 HydrophobicContact CD1-CD1 3.76Å; I64-I66 HydrophobicContact CG1-CD1 4.06Å; I64-I66 PolarHBondContact O-N 2.74Å; I66-F319 HydrophobicContact CD1-CE2 3.97Å; I66-L418 HydrophobicContact CD1-CD2 3.55Å; I66-W422 HydrophobicContact CG2-CZ2 4.17Å; I66-W422 PolarHBondContact O-NE1 3.09Å
67G96.9Very high92.4Very high12 Ų1244.1 Ų44.112%0.12422%0.219CC..SBendtrans-108.6-127.3-178.900000113.6R53 K55 E65 N69 K317R53-G67 WeakPolarHBondContact O-CA 3.49Å; K55-G67 PolarHBondContact O-N 3.13Å; K55-G67 VanDerWaalsContact O-N 3.14Å; E65-G67 VanDerWaalsContact C-N 3.31Å; G67-N69 PolarHBondContact O-N 2.78Å; G67-K317 WeakPolarHBondContact O-CE 3.35Å; G67-K317 PolarHBondContact O-NZ 2.91Å
68A95.8Very high92.4Very high26 Ų2643.4 Ų43.422%0.21521%0.211CC..  trans-51.5133.1175.800000111.4R53 I54 E65 Y227 V478R53-A68 PolarHBondContact O-N 3Å; I54-A68 HydrophobicContact CG1-CB 4.06Å; E65-A68 WeakPolarHBondContact CB-O 3.18Å; E65-A68 WeakPolarHBondContact CG-O 3.5Å; A68-Y227 HydrophobicContact CB-CD2 3.92Å; A68-Y227 HydrophobicContact CB-CE2 3.84Å; A68-Y227 VanDerWaalsContact O-CD2 3.27Å; A68-Y227 WeakPolarHBondContact O-CD2 3.49Å; A68-V478 HydrophobicContact CB-CG2 3.52Å
69N91.5Very high92.6Very high28 Ų2836.3 Ų36.315%0.1519%0.186CC..  trans-116.1-38.5-171.9-159.394.2000113.1E65 G67 K317 W378E65-N69 HydrophobicContact CB-CB 4.36Å; E65-N69 WeakPolarHBondContact CB-OD1 3.47Å; G67-N69 PolarHBondContact O-N 2.78Å; N69-K317 PolarHBondContact OD1-NZ 3.19Å; N69-W378 HydrophobicContact CB-CH2 4.37Å
70W92.1Very high93Very high59 Ų5935.6 Ų35.622%0.22318%0.182CC..  trans-120.3152.4-166.1-55101.8000111.8W110 D220 C221 T222 Y227W70-W110 HydrophobicContact CH2-CZ2 4.47Å; W70-D220 HydrophobicContact CE3-CB 3.99Å; W70-C221 CarbonylContact C-O 3.55Å; W70-C221 WeakPolarHBondContact CA-O 3.1Å; W70-T222 HydrophobicContact CD2-CG2 4.01Å; W70-T222 HydrophobicContact CE3-CG2 3.39Å; W70-T222 HydrophobicContact CH2-CG2 4.07Å; W70-T222 HydrophobicContact CZ3-CG2 3.43Å; W70-T222 VanDerWaalsContact CZ3-CG2 3.43Å; W70-Y227 WeakPolarHBondContact O-CE2 3.44Å; W70-Y227 PolarHBondContact O-OH 2.68Å
71I93.6Very high93.4Very high1 Ų131 Ų311%0.00516%0.158CC..BIsolated β-bridgetrans-95109.5154.8-54.6-177.1000106.2P74 N78 V80 F81 A84 L90 D220 C221 F223I71-P74 HydrophobicContact CG2-CB 4.16Å; I71-N78 WeakPolarHBondContact CG2-ND2 3.38Å; I71-V80 HydrophobicContact CD1-CG1 4.08Å; I71-V80 HydrophobicContact CG1-CG1 4.05Å; I71-F81 HydrophobicContact CG2-CB 4.03Å; I71-A84 HydrophobicContact CD1-CB 4.02Å; I71-L90 HydrophobicContact CD1-CD2 3.69Å; I71-D220 WeakPolarHBondContact O-CA 3.5Å; I71-C221 PolarHBondContact N-O 3.31Å; I71-C221 PolarHBondContact O-N 3.04Å; I71-F223 HydrophobicContact CD1-CE1 4.45Å; I71-F223 HydrophobicContact CD1-CE2 3.56Å; I71-F223 HydrophobicContact CD1-CZ 3.53Å; I71-F223 HydrophobicContact CG1-CD2 4.35Å; I71-F223 HydrophobicContact CG1-CE2 3.41Å; I71-F223 VanDerWaalsContact CG1-CE2 3.41Å; I71-F223 HydrophobicContact CG1-CZ 3.87Å
72H90.6Very high93.8Very high66 Ų6629.2 Ų29.231%0.30614%0.144SC..SBendtrans-78.1121.7178.4-59.3-61.6000110.9N78 D220H72-N78 PolarHBondContact O-ND2 3.5Å; H72-D220 VanDerWaalsContact CA-OD1 3.25Å; H72-D220 WeakPolarHBondContact CA-OD1 3.38Å; H72-D220 IonicContact CE1-OD2 2.72Å; H72-D220 IonicContact CG-OD2 3.59Å; H72-D220 IonicContact ND1-OD1 3.35Å; H72-D220 IonicContact ND1-OD2 2.86Å; H72-D220 PolarHBondContact ND1-OD2 3.4Å
73G89.3Confident94Very high1 Ų129 Ų291%0.0114%0.144CC..SBendtrans60.169.2-17400000112.9S75 N78 F216 P217 G218 D220G73-S75 PolarHBondContact O-N 3.05Å; G73-S75 PolarHBondContact O-OG 2.74Å; G73-N78 WeakPolarHBondContact O-CB 3.44Å; G73-N78 PolarHBondContact O-ND2 2.9Å; G73-F216 VanDerWaalsContact CA-O 3.31Å; G73-F216 WeakPolarHBondContact CA-O 2.97Å; G73-F216 WeakPolarHBondContact O-CB 3.49Å; G73-P217 CarbonylContact C-O 3.58Å; G73-P217 WeakPolarHBondContact CA-O 3.47Å; G73-G218 WeakPolarHBondContact CA-O 3.5Å; G73-D220 PolarHBondContact N-OD1 3.41Å; G73-D220 VanDerWaalsContact N-OD1 3.11Å
74P88.4Confident94.1Very high0 Ų027.4 Ų27.40%014%0.136CC..  trans-69.293.2177.328.3-33.5000110.8I71 F81 Q100 L219 C221I71-P74 HydrophobicContact CG2-CB 4.16Å; P74-F81 HydrophobicContact CB-CB 4.36Å; P74-F81 HydrophobicContact CB-CD2 3.21Å; P74-F81 HydrophobicContact CB-CE2 3.6Å; P74-F81 HydrophobicContact CB-CG 3.94Å; P74-Q100 WeakPolarHBondContact O-CG 3.44Å; P74-L219 WeakPolarHBondContact CD-O 3.42Å; P74-L219 WeakPolarHBondContact CG-O 3.12Å; P74-C221 HydrophobicContact CG-CB 4.19Å
75S90.6Very high94.2Very high7 Ų731.9 Ų31.95%0.04915%0.153CC..SBendtrans-140.9168.8176.257.50000110.3G73 E77 N78 F81 P217G73-S75 PolarHBondContact O-N 3.05Å; G73-S75 PolarHBondContact O-OG 2.74Å; S75-E77 PolarHBondContact O-N 3.39Å; S75-E77 VanDerWaalsContact O-N 3.1Å; S75-N78 WeakPolarHBondContact O-CB 3.37Å; S75-N78 PolarHBondContact O-N 2.69Å; S75-F81 VanDerWaalsContact C-CD1 3.41Å; S75-F81 VanDerWaalsContact O-CD1 3.23Å; S75-F81 WeakPolarHBondContact O-CD1 3.31Å; S75-P217 WeakPolarHBondContact CB-O 3.33Å; S75-P217 PolarHBondContact OG-O 3.25Å
76E89.3Confident94.2Very high83 Ų8337.2 Ų37.239%0.38818%0.177SC..THydrogen-bonded Turntrans-58.8-22.7178.3-65.5-58.812900113.9N78 R85E76-N78 VanDerWaalsContact C-N 3.3Å; E76-R85 VanDerWaalsContact CD-NH1 3.29Å; E76-R85 VanDerWaalsContact CD-NH2 3.32Å; E76-R85 IonicContact OE1-CZ 2.88Å; E76-R85 IonicContact OE1-NE 3.63Å; E76-R85 IonicContact OE1-NH1 3.69Å; E76-R85 PolarHBondContact OE1-NH1 3.35Å; E76-R85 IonicContact OE1-NH2 3.81Å; E76-R85 PolarHBondContact OE1-NH2 2.91Å; E76-R85 IonicContact OE2-CZ 3.36Å; E76-R85 IonicContact OE2-NH1 2.65Å; E76-R85 PolarHBondContact OE2-NH1 3.49Å; E76-R85 IonicContact OE2-NH2 3.52Å; E76-R85 PolarHBondContact OE2-NH2 3.02Å
77E91.3Very high94.2Very high138 Ų13838.1 Ų38.165%0.64518%0.18SC*.THydrogen-bonded Turntrans-74.4-23.9175.9-60.7-175.6-163.700112.3S75 P79 F216S75-E77 PolarHBondContact O-N 3.39Å; S75-E77 VanDerWaalsContact O-N 3.1Å; E77-P79 WeakPolarHBondContact O-CD 3.47Å; E77-F216 HydrophobicContact CB-CD1 3.65Å; E77-F216 HydrophobicContact CB-CE1 3.73Å; E77-F216 WeakPolarHBondContact O-CE1 3.39Å
78N95.8Very high94.2Very high0 Ų040.6 Ų40.60%021%0.205CC..SBendtrans-85.1112.6177.4-174.1-27.6000110.3I71 H72 G73 S75 E76 V80 F81 F82 F216 H479I71-N78 WeakPolarHBondContact CG2-ND2 3.38Å; H72-N78 PolarHBondContact O-ND2 3.5Å; G73-N78 WeakPolarHBondContact O-CB 3.44Å; G73-N78 PolarHBondContact O-ND2 2.9Å; S75-N78 WeakPolarHBondContact O-CB 3.37Å; S75-N78 PolarHBondContact O-N 2.69Å; E76-N78 VanDerWaalsContact C-N 3.3Å; N78-V80 PolarHBondContact O-N 3.42Å; N78-V80 WeakPolarHBondContact OD1-CB 3.35Å; N78-V80 PolarHBondContact OD1-N 3.13Å; N78-F81 HydrophobicContact CB-CB 4.05Å; N78-F81 WeakPolarHBondContact O-CB 3.45Å; N78-F81 PolarHBondContact O-N 2.73Å; N78-F81 VanDerWaalsContact O-N 3.12Å; N78-F82 PolarHBondContact O-N 2.83Å; N78-F216 HydrophobicContact CB-CB 4.38Å; N78-F216 HydrophobicContact CB-CD2 3.81Å; N78-F216 HydrophobicContact CB-CE2 4.22Å; N78-F216 HydrophobicContact CB-CG 4.05Å; N78-H479 WeakPolarHBondContact OD1-CB 3.26Å
79P96.8Very high94.2Very high12 Ų1241 Ų418%0.07820%0.204CC..Hα-helixtrans-65.5-25.7-174.727.7-36.8000113.3E77 L83 H479 L482 L483 W486E77-P79 WeakPolarHBondContact O-CD 3.47Å; P79-L83 VanDerWaalsContact O-CG 3.3Å; P79-L83 WeakPolarHBondContact O-CG 3.38Å; P79-L83 PolarHBondContact O-N 2.79Å; P79-L83 VanDerWaalsContact O-N 3.11Å; P79-H479 HydrophobicContact CG-CB 4.15Å; P79-L482 HydrophobicContact CB-CD2 3.86Å; P79-L482 HydrophobicContact CG-CD2 3.99Å; P79-L483 HydrophobicContact CG-CD1 4.27Å; P79-L483 HydrophobicContact CG-CD2 3.89Å; P79-L483 HydrophobicContact CG-CG 3.89Å; P79-W486 HydrophobicContact CB-CH2 3.75Å; P79-W486 HydrophobicContact CB-CZ3 3.71Å
80V97.9Very high94.4Very high0 Ų040.6 Ų40.60%020%0.201CC..Hα-helixtrans-72.4-41.7176.7174.40000110.4I71 N78 L83 A84 F223 Y227 L230 V478 H479 L482I71-V80 HydrophobicContact CD1-CG1 4.08Å; I71-V80 HydrophobicContact CG1-CG1 4.05Å; N78-V80 PolarHBondContact O-N 3.42Å; N78-V80 WeakPolarHBondContact OD1-CB 3.35Å; N78-V80 PolarHBondContact OD1-N 3.13Å; V80-L83 PolarHBondContact O-N 3.34Å; V80-A84 WeakPolarHBondContact O-CB 3.44Å; V80-A84 PolarHBondContact O-N 2.85Å; V80-F223 HydrophobicContact CG1-CZ 4.13Å; V80-Y227 HydrophobicContact CG1-CE1 4.18Å; V80-L230 HydrophobicContact CG1-CD2 3.91Å; V80-V478 HydrophobicContact CG1-CG1 4.44Å; V80-V478 HydrophobicContact CG2-CB 4.41Å; V80-V478 HydrophobicContact CG2-CG1 3.8Å; V80-H479 HydrophobicContact CB-CB 4.33Å; V80-H479 VanDerWaalsContact CG2-CA 3.49Å; V80-H479 HydrophobicContact CG2-CB 3.62Å; V80-L482 HydrophobicContact CG2-CD1 4.07Å
81F96.9Very high94.4Very high0 Ų040.5 Ų40.50%021%0.205CC..Hα-helixtrans-60.6-48.3173.3177.4-101000111.1I71 P74 S75 N78 L83 A84 R85 L90 L95 Q100I71-F81 HydrophobicContact CG2-CB 4.03Å; P74-F81 HydrophobicContact CB-CB 4.36Å; P74-F81 HydrophobicContact CB-CD2 3.21Å; P74-F81 HydrophobicContact CB-CE2 3.6Å; P74-F81 HydrophobicContact CB-CG 3.94Å; S75-F81 VanDerWaalsContact C-CD1 3.41Å; S75-F81 VanDerWaalsContact O-CD1 3.23Å; S75-F81 WeakPolarHBondContact O-CD1 3.31Å; N78-F81 HydrophobicContact CB-CB 4.05Å; N78-F81 WeakPolarHBondContact O-CB 3.45Å; N78-F81 PolarHBondContact O-N 2.73Å; N78-F81 VanDerWaalsContact O-N 3.12Å; F81-L83 VanDerWaalsContact C-N 3.33Å; F81-L83 PolarHBondContact O-N 2.97Å; F81-A84 PolarHBondContact O-N 2.79Å; F81-R85 WeakPolarHBondContact O-CB 3.29Å; F81-R85 PolarHBondContact O-N 2.8Å; F81-L90 HydrophobicContact CD2-CD1 3.46Å; F81-L90 VanDerWaalsContact CD2-CD1 3.46Å; F81-L90 HydrophobicContact CE2-CD1 3.37Å; F81-L90 HydrophobicContact CG-CD1 4.39Å; F81-L90 HydrophobicContact CZ-CD1 4.22Å; F81-L95 HydrophobicContact CE2-CD2 4.31Å; F81-L95 HydrophobicContact CZ-CD2 4.02Å; F81-Q100 HydrophobicContact CZ-CG 4.25Å
82F96.1Very high94.3Very high90 Ų9045.3 Ų45.340%0.39524%0.236SC..Hα-helixtrans-54.1-49178.7176.8-90.6000112N78 H86N78-F82 PolarHBondContact O-N 2.83Å; F82-H86 WeakPolarHBondContact O-CB 3.2Å; F82-H86 PolarHBondContact O-N 2.79Å
83L97Very high94.2Very high19 Ų1949.2 Ų49.210%0.09926%0.255CS..Hα-helixtrans-67-43.9178.1-71.2170.1000112.1P79 V80 F81 R85 H86 Y87 L230 L234 L482 W486P79-L83 VanDerWaalsContact O-CG 3.3Å; P79-L83 WeakPolarHBondContact O-CG 3.38Å; P79-L83 PolarHBondContact O-N 2.79Å; P79-L83 VanDerWaalsContact O-N 3.11Å; V80-L83 PolarHBondContact O-N 3.34Å; F81-L83 VanDerWaalsContact C-N 3.33Å; F81-L83 PolarHBondContact O-N 2.97Å; L83-R85 VanDerWaalsContact C-N 3.3Å; L83-R85 PolarHBondContact O-N 3.03Å; L83-H86 WeakPolarHBondContact O-CB 3.28Å; L83-H86 PolarHBondContact O-N 2.95Å; L83-H86 VanDerWaalsContact O-N 3.11Å; L83-Y87 HydrophobicContact CB-CD2 4.41Å; L83-Y87 HydrophobicContact CB-CE2 4.17Å; L83-Y87 HydrophobicContact CD2-CE2 4.23Å; L83-Y87 WeakPolarHBondContact O-CD2 3.17Å; L83-Y87 PolarHBondContact O-N 2.86Å; L83-L230 HydrophobicContact CB-CD1 3.88Å; L83-L234 HydrophobicContact CD1-CD2 4.36Å; L83-L482 HydrophobicContact CD1-CD1 3.56Å; L83-W486 HydrophobicContact CD1-CZ2 4.36Å
84A97.4Very high94.1Very high0 Ų049.4 Ų49.40%026%0.256CS..Hα-helixtrans-60.8-40.6178.800000111.7I71 V80 F81 Y87 G88 L89 L90 F223I71-A84 HydrophobicContact CD1-CB 4.02Å; V80-A84 WeakPolarHBondContact O-CB 3.44Å; V80-A84 PolarHBondContact O-N 2.85Å; F81-A84 PolarHBondContact O-N 2.79Å; A84-Y87 PolarHBondContact O-N 3.32Å; A84-G88 PolarHBondContact O-N 2.85Å; A84-G88 VanDerWaalsContact O-N 3.13Å; A84-L89 HydrophobicContact CB-CB 4.34Å; A84-L89 WeakPolarHBondContact O-CB 3.44Å; A84-L89 PolarHBondContact O-N 3.25Å; A84-L90 HydrophobicContact CB-CD1 3.99Å; A84-L90 HydrophobicContact CB-CD2 3.67Å; A84-L90 HydrophobicContact CB-CG 3.75Å; A84-F223 HydrophobicContact CB-CE1 3.58Å; A84-F223 HydrophobicContact CB-CZ 3.85Å
85R96.6Very high94.3Very high96 Ų9652.7 Ų52.736%0.36227%0.274SS..Hα-helixtrans-63.7-45.9171.7-177.6-172.269.1-178.8-13.8111.6E76 F81 L83 Y87 G88 L90 L95E76-R85 VanDerWaalsContact CD-NH1 3.29Å; E76-R85 VanDerWaalsContact CD-NH2 3.32Å; E76-R85 IonicContact OE1-CZ 2.88Å; E76-R85 IonicContact OE1-NE 3.63Å; E76-R85 IonicContact OE1-NH1 3.69Å; E76-R85 PolarHBondContact OE1-NH1 3.35Å; E76-R85 IonicContact OE1-NH2 3.81Å; E76-R85 PolarHBondContact OE1-NH2 2.91Å; E76-R85 IonicContact OE2-CZ 3.36Å; E76-R85 IonicContact OE2-NH1 2.65Å; E76-R85 PolarHBondContact OE2-NH1 3.49Å; E76-R85 IonicContact OE2-NH2 3.52Å; E76-R85 PolarHBondContact OE2-NH2 3.02Å; F81-R85 WeakPolarHBondContact O-CB 3.29Å; F81-R85 PolarHBondContact O-N 2.8Å; L83-R85 VanDerWaalsContact C-N 3.3Å; L83-R85 PolarHBondContact O-N 3.03Å; R85-Y87 PolarHBondContact O-N 2.97Å; R85-G88 PolarHBondContact O-N 3.32Å; R85-L90 HydrophobicContact CB-CD1 4.14Å; R85-L95 HydrophobicContact CB-CD2 4.09Å; R85-L95 HydrophobicContact CG-CD2 3.66Å
86H96.3Very high94.4Very high125 Ų12554.6 Ų54.658%0.57929%0.285SS*.Hα-helixtrans-56.5-40.5179.4-179.667.2000112F82 L83 G88F82-H86 WeakPolarHBondContact O-CB 3.2Å; F82-H86 PolarHBondContact O-N 2.79Å; L83-H86 WeakPolarHBondContact O-CB 3.28Å; L83-H86 PolarHBondContact O-N 2.95Å; L83-H86 VanDerWaalsContact O-N 3.11Å; H86-G88 VanDerWaalsContact C-N 3.33Å
87Y97.6Very high94.3Very high37 Ų3754.9 Ų54.915%0.14529%0.294CS..THydrogen-bonded Turntrans-84.90.2177.4-60.9-48.1000114.6L83 A84 R85 L89 L230 N233 L234 E237L83-Y87 HydrophobicContact CB-CD2 4.41Å; L83-Y87 HydrophobicContact CB-CE2 4.17Å; L83-Y87 HydrophobicContact CD2-CE2 4.23Å; L83-Y87 WeakPolarHBondContact O-CD2 3.17Å; L83-Y87 PolarHBondContact O-N 2.86Å; A84-Y87 PolarHBondContact O-N 3.32Å; R85-Y87 PolarHBondContact O-N 2.97Å; Y87-L89 HydrophobicContact CD2-CD1 4.31Å; Y87-L230 HydrophobicContact CD2-CD1 4.08Å; Y87-L230 HydrophobicContact CE2-CD1 4.14Å; Y87-N233 HydrophobicContact CD1-CB 3.72Å; Y87-N233 HydrophobicContact CD2-CB 3.63Å; Y87-N233 HydrophobicContact CE1-CB 3.88Å; Y87-N233 HydrophobicContact CE2-CB 3.79Å; Y87-N233 HydrophobicContact CG-CB 3.6Å; Y87-L234 HydrophobicContact CE2-CD2 4.29Å; Y87-L234 HydrophobicContact CE2-CG 4.24Å; Y87-E237 WeakPolarHBondContact CE1-OE1 3.37Å; Y87-E237 VanDerWaalsContact CZ-OE1 3.27Å; Y87-E237 PolarHBondContact OH-OE1 3.28Å
88G97.2Very high94.1Very high64 Ų6455 Ų5566%0.6630%0.295SS*.THydrogen-bonded Turntrans66.436.1-179.700000114.1A84 R85 H86A84-G88 PolarHBondContact O-N 2.85Å; A84-G88 VanDerWaalsContact O-N 3.13Å; R85-G88 PolarHBondContact O-N 3.32Å; H86-G88 VanDerWaalsContact C-N 3.33Å
89L96.8Very high93.6Very high35 Ų3555.8 Ų55.818%0.18330%0.299CS..  trans-97.75.7-173.2-60.1175.5000114.7A84 Y87 F223 P224 L230A84-L89 HydrophobicContact CB-CB 4.34Å; A84-L89 WeakPolarHBondContact O-CB 3.44Å; A84-L89 PolarHBondContact O-N 3.25Å; Y87-L89 HydrophobicContact CD2-CD1 4.31Å; L89-F223 HydrophobicContact CB-CD1 3.91Å; L89-F223 HydrophobicContact CB-CE1 4.13Å; L89-F223 HydrophobicContact CD1-CD1 4.36Å; L89-F223 HydrophobicContact CD1-CE1 4.17Å; L89-P224 VanDerWaalsContact O-CD 3.29Å; L89-P224 WeakPolarHBondContact O-CD 3.28Å; L89-L230 HydrophobicContact CD1-CB 4.21Å
90L95.4Very high93.1Very high19 Ų1957.1 Ų57.110%0.09930%0.304CS..SBendtrans-113.5148.3-172-60.1178.8000111.8I71 F81 A84 R85 L95I71-L90 HydrophobicContact CD1-CD2 3.69Å; F81-L90 HydrophobicContact CD2-CD1 3.46Å; F81-L90 VanDerWaalsContact CD2-CD1 3.46Å; F81-L90 HydrophobicContact CE2-CD1 3.37Å; F81-L90 HydrophobicContact CG-CD1 4.39Å; F81-L90 HydrophobicContact CZ-CD1 4.22Å; A84-L90 HydrophobicContact CB-CD1 3.99Å; A84-L90 HydrophobicContact CB-CD2 3.67Å; A84-L90 HydrophobicContact CB-CG 3.75Å; R85-L90 HydrophobicContact CB-CD1 4.14Å; L90-L95 HydrophobicContact CB-CD2 4.27Å; L90-L95 HydrophobicContact CD1-CD2 3.92Å
91D90.8Very high92.5Very high58 Ų5860.9 Ų60.931%0.3134%0.335SS..  trans-66.1146.3168.4-84.5-35000110.1E93 A94 P224 R370D91-E93 PolarHBondContact O-N 2.87Å; D91-E93 VanDerWaalsContact O-N 3.12Å; D91-A94 PolarHBondContact O-N 3.07Å; D91-A94 VanDerWaalsContact O-N 3.16Å; D91-P224 HydrophobicContact CB-CG 4.12Å; D91-P224 WeakPolarHBondContact OD1-CG 3.47Å; D91-P224 WeakPolarHBondContact OD2-CG 3.02Å; D91-R370 IonicContact OD1-NH2 3.64Å; D91-R370 PolarHBondContact OD1-NH2 3.17Å; D91-R370 IonicContact OD2-NH1 2.66Å; D91-R370 IonicContact OD2-NH2 3.1Å
92P91.4Very high91.6Very high101 Ų10165.2 Ų65.266%0.65635%0.352SS*.G310 helixtrans-56.4-30.7-176.8-2835.4000115A94 L95P92-A94 VanDerWaalsContact C-N 3.34Å; P92-A94 PolarHBondContact O-N 2.97Å; P92-L95 WeakPolarHBondContact O-CB 3.46Å; P92-L95 PolarHBondContact O-N 3.43Å; P92-L95 VanDerWaalsContact O-N 3.1Å
93E88.6Confident90.5Very high148 Ų14867.3 Ų67.369%0.69237%0.367SS*.G310 helixtrans-60.9-40.8179.3-175.4175.5-175.700112.5D91 L95 T96D91-E93 PolarHBondContact O-N 2.87Å; D91-E93 VanDerWaalsContact O-N 3.12Å; E93-L95 PolarHBondContact O-N 2.84Å; E93-T96 WeakPolarHBondContact O-CB 3.21Å; E93-T96 WeakPolarHBondContact O-CG2 3.38Å; E93-T96 PolarHBondContact O-N 3.04Å; E93-T96 PolarHBondContact O-OG1 3.03Å
94A88.4Confident88.8Confident5 Ų567.9 Ų67.94%0.04137%0.371CS..G310 helixtrans-65.9-19.7177.100000112.8D91 P92 T96 C221D91-A94 PolarHBondContact O-N 3.07Å; D91-A94 VanDerWaalsContact O-N 3.16Å; P92-A94 VanDerWaalsContact C-N 3.34Å; P92-A94 PolarHBondContact O-N 2.97Å; A94-T96 VanDerWaalsContact C-N 3.33Å; A94-C221 HydrophobicContact CB-CB 3.64Å
95L92.2Very high86.7Confident70 Ų7071 Ų7137%0.36640%0.403SS..G310 helixtrans-86.3-5.9179.7-57.9179.6000113F81 R85 L90 P92 E93 Q100F81-L95 HydrophobicContact CE2-CD2 4.31Å; F81-L95 HydrophobicContact CZ-CD2 4.02Å; R85-L95 HydrophobicContact CB-CD2 4.09Å; R85-L95 HydrophobicContact CG-CD2 3.66Å; L90-L95 HydrophobicContact CB-CD2 4.27Å; L90-L95 HydrophobicContact CD1-CD2 3.92Å; P92-L95 WeakPolarHBondContact O-CB 3.46Å; P92-L95 PolarHBondContact O-N 3.43Å; P92-L95 VanDerWaalsContact O-N 3.1Å; E93-L95 PolarHBondContact O-N 2.84Å; L95-Q100 VanDerWaalsContact C-NE2 3.28Å; L95-Q100 PolarHBondContact O-NE2 2.69Å
96T91.8Very high84.4Confident47 Ų4769.2 Ų69.229%0.28841%0.414SS..SBendtrans-71.9139.9-179.562.60000111.6E93 A94 E98 N99 Q100E93-T96 WeakPolarHBondContact O-CB 3.21Å; E93-T96 WeakPolarHBondContact O-CG2 3.38Å; E93-T96 PolarHBondContact O-N 3.04Å; E93-T96 PolarHBondContact O-OG1 3.03Å; A94-T96 VanDerWaalsContact C-N 3.33Å; T96-E98 PolarHBondContact O-N 2.78Å; T96-N99 PolarHBondContact O-N 3.06Å; T96-N99 WeakPolarHBondContact OG1-CB 3.45Å; T96-N99 PolarHBondContact OG1-N 2.76Å; T96-Q100 WeakPolarHBondContact O-CG 3.13Å; T96-Q100 PolarHBondContact O-N 2.8Å; T96-Q100 VanDerWaalsContact O-N 3.13Å
97P88.6Confident82.3Confident89 Ų8969.8 Ų69.858%0.57842%0.417SS*.Hα-helixtrans-57.7-33.6172.7-25.234.9000112.9Q100 A101P97-Q100 PolarHBondContact O-N 3.13Å; P97-A101 VanDerWaalsContact O-CB 3.22Å; P97-A101 WeakPolarHBondContact O-CB 3.37Å; P97-A101 PolarHBondContact O-N 2.76Å
98E85.9Confident80.5Confident140 Ų14070.1 Ų70.165%0.65442%0.423SS*.Hα-helixtrans-63.1-44.8178.4-65.272.9-15900111.7T96 Y102T96-E98 PolarHBondContact O-N 2.78Å; E98-Y102 PolarHBondContact O-N 3.32Å
99N85.6Confident79.1Confident17 Ų1771.6 Ų71.69%0.09142%0.421CS..Hα-helixtrans-63.9-47.5175-175.4-60.9000110.6T96 A101 Y102 G218 L219T96-N99 PolarHBondContact O-N 3.06Å; T96-N99 WeakPolarHBondContact OG1-CB 3.45Å; T96-N99 PolarHBondContact OG1-N 2.76Å; N99-A101 VanDerWaalsContact C-N 3.31Å; N99-A101 PolarHBondContact O-N 3.4Å; N99-Y102 VanDerWaalsContact O-CB 3.26Å; N99-Y102 WeakPolarHBondContact O-CB 3.36Å; N99-Y102 PolarHBondContact O-N 2.67Å; N99-G218 VanDerWaalsContact O-CA 3.24Å; N99-G218 WeakPolarHBondContact O-CA 3.24Å; N99-L219 PolarHBondContact O-N 3.19Å; N99-L219 PolarHBondContact OD1-N 3.01Å; N99-L219 PolarHBondContact OD1-O 3.01Å
100Q87.6Confident78.5Confident39 Ų3974.6 Ų74.618%0.18243%0.43CS..Hα-helixtrans-66.4-29-176.5-68.2169.328.700113.8P74 F81 L95 T96 P97 Y102P74-Q100 WeakPolarHBondContact O-CG 3.44Å; F81-Q100 HydrophobicContact CZ-CG 4.25Å; L95-Q100 VanDerWaalsContact C-NE2 3.28Å; L95-Q100 PolarHBondContact O-NE2 2.69Å; T96-Q100 WeakPolarHBondContact O-CG 3.13Å; T96-Q100 PolarHBondContact O-N 2.8Å; T96-Q100 VanDerWaalsContact O-N 3.13Å; P97-Q100 PolarHBondContact O-N 3.13Å; Q100-Y102 VanDerWaalsContact C-N 3.31Å
101A84.3Confident78.3Confident80 Ų8076.4 Ų76.466%0.66144%0.442SS*.THydrogen-bonded Turntrans-84.7-5.6178.800000113.3P97 N99 D103P97-A101 VanDerWaalsContact O-CB 3.22Å; P97-A101 WeakPolarHBondContact O-CB 3.37Å; P97-A101 PolarHBondContact O-N 2.76Å; N99-A101 VanDerWaalsContact C-N 3.31Å; N99-A101 PolarHBondContact O-N 3.4Å; A101-D103 PolarHBondContact O-N 3.47Å; A101-D103 VanDerWaalsContact O-N 3.15Å
102Y78.3Confident78.5Confident91 Ų9176.3 Ų76.336%0.35744%0.444SS..  trans-65.3116.2-178.6-155-81.7000109.9E98 N99 Q100 L104 G218 L219E98-Y102 PolarHBondContact O-N 3.32Å; N99-Y102 VanDerWaalsContact O-CB 3.26Å; N99-Y102 WeakPolarHBondContact O-CB 3.36Å; N99-Y102 PolarHBondContact O-N 2.67Å; Q100-Y102 VanDerWaalsContact C-N 3.31Å; Y102-L104 PolarHBondContact O-N 2.56Å; Y102-G218 PolarHBondContact O-N 3.36Å; Y102-L219 HydrophobicContact CD1-CD2 3.48Å; Y102-L219 VanDerWaalsContact CD1-CD2 3.48Å; Y102-L219 HydrophobicContact CD1-CG 3.83Å; Y102-L219 HydrophobicContact CD2-CD1 3.89Å; Y102-L219 HydrophobicContact CD2-CD2 4.3Å; Y102-L219 HydrophobicContact CD2-CG 4.03Å; Y102-L219 HydrophobicContact CE1-CD2 3.68Å; Y102-L219 HydrophobicContact CE1-CG 4.4Å; Y102-L219 HydrophobicContact CE2-CD1 4.26Å; Y102-L219 HydrophobicContact CE2-CD2 4.47Å; Y102-L219 HydrophobicContact CG-CD1 4.02Å; Y102-L219 HydrophobicContact CG-CD2 3.81Å; Y102-L219 HydrophobicContact CG-CG 3.62Å
103D72.2Confident78.7Confident133 Ų13371.8 Ų71.871%0.71141%0.414SS*.  trans-76.8113169.2-174.1-1.5000107.2A101 G105A101-D103 PolarHBondContact O-N 3.47Å; A101-D103 VanDerWaalsContact O-N 3.15Å; D103-G105 PolarHBondContact O-N 3.37Å; D103-G105 PolarHBondContact OD1-N 2.7Å
104L62.2Low79.2Confident32 Ų3265 Ų6517%0.16838%0.382CS..  trans-57.5-25.4-171.1-84168.2000112.3Y102 G106 E107 G218 L219Y102-L104 PolarHBondContact O-N 2.56Å; L104-G106 CarbonylContact O-C 3.59Å; L104-G106 WeakPolarHBondContact O-CA 3.26Å; L104-G106 PolarHBondContact O-N 2.66Å; L104-E107 PolarHBondContact O-N 2.95Å; L104-G218 VanDerWaalsContact CD1-O 3.28Å; L104-G218 WeakPolarHBondContact CD1-O 3.28Å; L104-G218 WeakPolarHBondContact CD2-O 3.32Å; L104-G218 VanDerWaalsContact CG-O 3.25Å; L104-G218 WeakPolarHBondContact CG-O 3.37Å; L104-L219 HydrophobicContact CD2-CD2 4.04Å
105G53.5Low79.6Confident66 Ų6665.3 Ų65.368%0.6838%0.383SS*.THydrogen-bonded Turntrans50.52.7163.500000117.7D103D103-G105 PolarHBondContact O-N 3.37Å; D103-G105 PolarHBondContact OD1-N 2.7Å
106G48.3Very low79.8Confident58 Ų5862 Ų6260%0.59837%0.365SS*.THydrogen-bonded Turntrans95.4-15.7-168.900000117.6L104L104-G106 CarbonylContact O-C 3.59Å; L104-G106 WeakPolarHBondContact O-CA 3.26Å; L104-G106 PolarHBondContact O-N 2.66Å
107E52.6Low80.1Confident136 Ų13660.1 Ų60.164%0.63635%0.354SS*.  trans-132.6111.4-168.2-68.5-173.7178.200114.8L104L104-E107 PolarHBondContact O-N 2.95Å
108T59.8Low80.4Confident45 Ų4559.1 Ų59.128%0.27635%0.349SS..  trans-79.3139.4162.736.70000109.7W110 L219T108-W110 HydrophobicContact CG2-CZ2 4.45Å; T108-W110 PolarHBondContact O-N 2.72Å; T108-L219 HydrophobicContact CG2-CD2 4.18Å
109P67.9Low80.9Confident95 Ų9553.5 Ų53.562%0.61733%0.329SS*.  trans-7850.2-177.534.3-37.2000111.9
110W83.9Confident81.4Confident97 Ų9758.9 Ų58.937%0.36735%0.348SS..  trans-80.1127.4-176.3-70.2-12.1000111.7W70 T108 T112 D332 V333W70-W110 HydrophobicContact CH2-CZ2 4.47Å; T108-W110 HydrophobicContact CG2-CZ2 4.45Å; T108-W110 PolarHBondContact O-N 2.72Å; W110-T112 PolarHBondContact O-N 3.34Å; W110-T112 PolarHBondContact O-OG1 2.89Å; W110-D332 HydrophobicContact CB-CB 4.01Å; W110-D332 HydrophobicContact CG-CB 4.19Å; W110-V333 HydrophobicContact CB-CG2 4.3Å; W110-V333 HydrophobicContact CD2-CG2 3.86Å; W110-V333 HydrophobicContact CE3-CB 4.46Å; W110-V333 HydrophobicContact CE3-CG2 3.29Å; W110-V333 HydrophobicContact CG-CG2 4.33Å; W110-V333 HydrophobicContact CZ3-CG2 3.77Å
111V90.9Very high81.8Confident57 Ų5762 Ų6235%0.34536%0.361SS..  trans-74.6116.9173.5-178.30000109D330 D332 V333V111-D330 WeakPolarHBondContact CB-O 3.46Å; V111-D332 PolarHBondContact N-OD2 3.1Å; V111-D332 PolarHBondContact O-N 2.67Å; V111-V333 PolarHBondContact O-N 3.01Å
112T93.9Very high82.4Confident57 Ų5759 Ų5935%0.3533%0.334SS..EExtended strand (participates in β ladder)trans-109.2122.2-171.3-56.50000112.2W110 I114 V333 Q335W110-T112 PolarHBondContact O-N 3.34Å; W110-T112 PolarHBondContact O-OG1 2.89Å; T112-I114 HydrophobicContact CG2-CG1 3.93Å; T112-V333 CarbonylContact C-O 3.53Å; T112-V333 VanDerWaalsContact CA-O 3.26Å; T112-V333 WeakPolarHBondContact CA-O 3.3Å; T112-V333 HydrophobicContact CG2-CG1 4.49Å; T112-Q335 HydrophobicContact CG2-CB 4.1Å
113N97.1Very high83.1Confident6 Ų657.3 Ų57.33%0.03234%0.335CS..EExtended strand (participates in β ladder)trans-87126.9163.9-87.120000109.5F115 D328 V333 I334 Q335N113-F115 HydrophobicContact CB-CD2 4.44Å; N113-F115 HydrophobicContact CB-CE2 3.71Å; N113-F115 HydrophobicContact CB-CZ 4.36Å; N113-D328 VanDerWaalsContact ND2-CG 3.33Å; N113-D328 PolarHBondContact ND2-N 3.34Å; N113-D328 VanDerWaalsContact ND2-N 3.18Å; N113-D328 PolarHBondContact ND2-OD1 3.03Å; N113-D328 PolarHBondContact OD1-OD2 3.1Å; N113-V333 PolarHBondContact N-O 3.25Å; N113-I334 HydrophobicContact CB-CG1 4.44Å; N113-I334 CarbonylContact O-C 3.56Å; N113-I334 VanDerWaalsContact O-CA 3.27Å; N113-I334 WeakPolarHBondContact O-CA 3.48Å; N113-Q335 PolarHBondContact O-N 3.11Å
114I97.6Very high84Confident4 Ų457.4 Ų57.42%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-112.8126.4-177.9-51.9150.6000108.6T112 K121 L122 I127 Q335 V337T112-I114 HydrophobicContact CG2-CG1 3.93Å; I114-K121 CarbonylContact O-C 3.59Å; I114-K121 WeakPolarHBondContact O-CA 3.33Å; I114-L122 HydrophobicContact CB-CB 4.05Å; I114-L122 HydrophobicContact CG2-CB 3.85Å; I114-L122 HydrophobicContact CG2-CD1 3.97Å; I114-L122 HydrophobicContact CG2-CG 4.31Å; I114-L122 PolarHBondContact O-N 2.91Å; I114-I127 HydrophobicContact CD1-CD1 3.35Å; I114-I127 HydrophobicContact CD1-CG1 3.73Å; I114-I127 HydrophobicContact CD1-CG2 4.48Å; I114-I127 HydrophobicContact CG1-CD1 3.91Å; I114-I127 HydrophobicContact CG2-CD1 4.42Å; I114-I127 HydrophobicContact CG2-CG2 4.26Å; I114-Q335 HydrophobicContact CG1-CB 4.46Å; I114-Q335 HydrophobicContact CG2-CB 4.49Å; I114-V337 HydrophobicContact CG2-CG2 3.88Å
115F97.8Very high85.3Confident13 Ų1364.5 Ų64.56%0.05736%0.361CS..EExtended strand (participates in β ladder)trans-124141.5176.6-63.9-86.1000110.5N113 R120 K121 W326 I334 Q335 L336 V337 F406N113-F115 HydrophobicContact CB-CD2 4.44Å; N113-F115 HydrophobicContact CB-CE2 3.71Å; N113-F115 HydrophobicContact CB-CZ 4.36Å; F115-R120 CarbonylContact C-O 3.45Å; F115-R120 WeakPolarHBondContact CA-O 3.32Å; F115-K121 HydrophobicContact CD1-CB 4.14Å; F115-K121 HydrophobicContact CD1-CG 4.32Å; F115-K121 HydrophobicContact CE1-CB 4Å; F115-K121 HydrophobicContact CE1-CD 4.2Å; F115-K121 HydrophobicContact CE1-CG 3.97Å; F115-K121 HydrophobicContact CZ-CD 4.35Å; F115-K121 HydrophobicContact CZ-CG 4.39Å; F115-W326 HydrophobicContact CD2-CZ3 4.2Å; F115-W326 HydrophobicContact CE2-CE3 4.28Å; F115-W326 AromaticContact CE2-CZ3 3.7Å; F115-W326 HydrophobicContact CE2-CZ3 3.7Å; F115-W326 HydrophobicContact CZ-CE3 4.31Å; F115-W326 HydrophobicContact CZ-CZ3 4.17Å; F115-I334 HydrophobicContact CD2-CG2 3.67Å; F115-I334 HydrophobicContact CE2-CG2 3.9Å; F115-Q335 PolarHBondContact N-O 2.84Å; F115-L336 HydrophobicContact CB-CD2 4.35Å; F115-L336 WeakPolarHBondContact O-CA 3.34Å; F115-V337 PolarHBondContact O-N 3.37Å; F115-F406 HydrophobicContact CB-CB 4.08Å; F115-F406 HydrophobicContact CB-CD1 4.07Å; F115-F406 WeakPolarHBondContact O-CD1 3.34Å
116S97.1Very high87.2Confident0 Ų064.3 Ų64.30%034%0.344CS..EExtended strand (participates in β ladder)trans-104.2155.2175.290.10000111.6S118 G119 R120 V337 E339 F406S116-S118 PolarHBondContact O-N 3.09Å; S116-S118 PolarHBondContact OG-OG 2.99Å; S116-G119 PolarHBondContact O-N 3.1Å; S116-R120 PolarHBondContact N-O 3.14Å; S116-V337 CarbonylContact C-O 3.59Å; S116-V337 VanDerWaalsContact CA-O 3.31Å; S116-V337 WeakPolarHBondContact CA-O 3.35Å; S116-E339 WeakPolarHBondContact CB-OE2 3.47Å; S116-E339 PolarHBondContact OG-OE2 3.38Å; S116-F406 VanDerWaalsContact C-CD1 3.4Å
117S97Very high89.3Confident7 Ų761.7 Ų61.75%0.04932%0.316CS..THydrogen-bonded Turntrans-65.3-6.7-177.271.40000114.6G119 V337 E339 R405 F406S117-G119 VanDerWaalsContact C-N 3.34Å; S117-V337 PolarHBondContact N-O 3.02Å; S117-E339 PolarHBondContact OG-N 2.73Å; S117-R405 WeakPolarHBondContact O-CG 3.06Å; S117-R405 PolarHBondContact O-NE 3.23Å; S117-F406 VanDerWaalsContact N-CE1 3.29Å
118S95.9Very high91.2Very high68 Ų6860.7 Ų60.748%0.47631%0.308SS..THydrogen-bonded Turntrans-88.24.7170.357.80000113.9S116 R120 E339S116-S118 PolarHBondContact O-N 3.09Å; S116-S118 PolarHBondContact OG-OG 2.99Å; S118-R120 PolarHBondContact OG-NE 3.26Å; S118-E339 VanDerWaalsContact CB-OE2 3.31Å; S118-E339 WeakPolarHBondContact CB-OE2 3.4Å; S118-E339 PolarHBondContact N-OE2 2.92Å; S118-E339 PolarHBondContact OG-OE2 3.23Å
119G96.4Very high92.9Very high23 Ų2359.8 Ų59.824%0.23730%0.303CS..SBendtrans83.420.5177.900000113.9S116 S117 R405 F406S116-G119 PolarHBondContact O-N 3.1Å; S117-G119 VanDerWaalsContact C-N 3.34Å; G119-R405 VanDerWaalsContact CA-O 3.27Å; G119-R405 WeakPolarHBondContact CA-O 3.49Å; G119-R405 PolarHBondContact N-O 2.81Å; G119-F406 WeakPolarHBondContact CA-O 3.31Å
120R95Very high94.2Very high130 Ų13055.3 Ų55.349%0.49127%0.273SS..PPolyproline II helixtrans-103.5137.2-178.9-60-175.3-67.2160.41110.3F115 S116 S118 E339F115-R120 CarbonylContact C-O 3.45Å; F115-R120 WeakPolarHBondContact CA-O 3.32Å; S116-R120 PolarHBondContact N-O 3.14Å; S118-R120 PolarHBondContact OG-NE 3.26Å; R120-E339 IonicContact CZ-OE1 2.83Å; R120-E339 IonicContact NH2-OE1 2.71Å; R120-E339 PolarHBondContact NH2-OE1 3.28Å; R120-E339 IonicContact NH2-OE2 3.31Å
121K96.6Very high94.6Very high103 Ų10352.7 Ų52.745%0.44827%0.266SS..EExtended strand (participates in β ladder)trans-81.8124.6164.2-168.2175.8179.9-173.80108.4I114 F115 D328I114-K121 CarbonylContact O-C 3.59Å; I114-K121 WeakPolarHBondContact O-CA 3.33Å; F115-K121 HydrophobicContact CD1-CB 4.14Å; F115-K121 HydrophobicContact CD1-CG 4.32Å; F115-K121 HydrophobicContact CE1-CB 4Å; F115-K121 HydrophobicContact CE1-CD 4.2Å; F115-K121 HydrophobicContact CE1-CG 3.97Å; F115-K121 HydrophobicContact CZ-CD 4.35Å; F115-K121 HydrophobicContact CZ-CG 4.39Å; K121-D328 IonicContact NZ-OD1 3.21Å; K121-D328 PolarHBondContact NZ-OD1 3.17Å; K121-D328 IonicContact NZ-OD2 2.73Å; K121-D328 PolarHBondContact NZ-OD2 2.92Å
122L96Very high94.8Very high19 Ų1954.5 Ų54.510%0.09927%0.271CS..EExtended strand (participates in β ladder)trans-96.8156.7177.7-55.6178.6000109.8I114 D126 I127 L181 V337I114-L122 HydrophobicContact CB-CB 4.05Å; I114-L122 HydrophobicContact CG2-CB 3.85Å; I114-L122 HydrophobicContact CG2-CD1 3.97Å; I114-L122 HydrophobicContact CG2-CG 4.31Å; I114-L122 PolarHBondContact O-N 2.91Å; L122-D126 HydrophobicContact CB-CB 4.35Å; L122-I127 HydrophobicContact CD1-CG2 4.25Å; L122-L181 HydrophobicContact CD1-CD1 3.99Å; L122-L181 HydrophobicContact CD1-CD2 4.31Å; L122-V337 HydrophobicContact CD1-CG2 4.32Å
123S94Very high94.9Very high54 Ų5451.9 Ų51.938%0.37826%0.255SS..PPolyproline II helixtrans-93.3159.2169.973.30000110.9K125 D126S123-K125 PolarHBondContact O-N 2.88Å; S123-D126 WeakPolarHBondContact CA-OD2 3.21Å; S123-D126 WeakPolarHBondContact CB-OD2 3.46Å; S123-D126 PolarHBondContact N-OD2 2.82Å; S123-D126 WeakPolarHBondContact O-CB 3.34Å; S123-D126 PolarHBondContact O-N 2.87Å; S123-D126 PolarHBondContact OG-OD2 3.39Å
124E89.8Confident94.9Very high136 Ų13652 Ų5264%0.63626%0.255SS*.Hα-helixtrans-55.5-36.7174.8-171.5-177.7179.900112.4D126 I127 Y128E124-D126 PolarHBondContact O-N 2.98Å; E124-I127 WeakPolarHBondContact O-CG1 3.19Å; E124-I127 PolarHBondContact O-N 3.03Å; E124-I127 VanDerWaalsContact O-N 3.1Å; E124-Y128 WeakPolarHBondContact O-CB 3.32Å; E124-Y128 PolarHBondContact O-N 2.87Å
125K91.2Very high94.7Very high181 Ų18153.9 Ų53.979%0.78727%0.267SS*.Hα-helixtrans-60.9-30.1176.7-63.8-178.6-178.3177.40112.8S123 I127S123-K125 PolarHBondContact O-N 2.88Å; K125-I127 PolarHBondContact O-N 3.49Å
126D92.4Very high94.6Very high62 Ų6255.5 Ų55.533%0.33228%0.275SS..Hα-helixtrans-72.4-19.4-179.4-58.7-49.4000112.1L122 S123 E124 L181 Q182L122-D126 HydrophobicContact CB-CB 4.35Å; S123-D126 WeakPolarHBondContact CA-OD2 3.21Å; S123-D126 WeakPolarHBondContact CB-OD2 3.46Å; S123-D126 PolarHBondContact N-OD2 2.82Å; S123-D126 WeakPolarHBondContact O-CB 3.34Å; S123-D126 PolarHBondContact O-N 2.87Å; S123-D126 PolarHBondContact OG-OD2 3.39Å; E124-D126 PolarHBondContact O-N 2.98Å; D126-L181 HydrophobicContact CB-CD2 4.45Å; D126-Q182 PolarHBondContact O-NE2 3.01Å
127I92.5Very high94.6Very high2 Ų255.5 Ų55.51%0.0128%0.275CS..Hα-helixtrans-119.7-10.9-17671.7161.6000113.7I114 L122 E124 K125 P129 A130 L131 Q182 V185I114-I127 HydrophobicContact CD1-CD1 3.35Å; I114-I127 HydrophobicContact CD1-CG1 3.73Å; I114-I127 HydrophobicContact CD1-CG2 4.48Å; I114-I127 HydrophobicContact CG1-CD1 3.91Å; I114-I127 HydrophobicContact CG2-CD1 4.42Å; I114-I127 HydrophobicContact CG2-CG2 4.26Å; L122-I127 HydrophobicContact CD1-CG2 4.25Å; E124-I127 WeakPolarHBondContact O-CG1 3.19Å; E124-I127 PolarHBondContact O-N 3.03Å; E124-I127 VanDerWaalsContact O-N 3.1Å; K125-I127 PolarHBondContact O-N 3.49Å; I127-P129 VanDerWaalsContact C-CD 3.44Å; I127-A130 WeakPolarHBondContact O-CB 3.38Å; I127-A130 PolarHBondContact O-N 2.88Å; I127-A130 VanDerWaalsContact O-N 3.1Å; I127-L131 HydrophobicContact CD1-CD1 3.71Å; I127-L131 HydrophobicContact CD1-CD2 4.16Å; I127-L131 HydrophobicContact CD1-CG 4.01Å; I127-L131 HydrophobicContact CG1-CD1 3.79Å; I127-L131 HydrophobicContact CG1-CG 4.12Å; I127-L131 PolarHBondContact O-N 3.4Å; I127-L131 VanDerWaalsContact O-N 3.11Å; I127-Q182 PolarHBondContact O-OE1 3.23Å; I127-V185 HydrophobicContact CB-CG1 3.99Å; I127-V185 HydrophobicContact CB-CG2 3.86Å; I127-V185 HydrophobicContact CG2-CG1 4.46Å; I127-V185 HydrophobicContact CG2-CG2 3.55Å
128Y92.4Very high94.5Very high116 Ų11656.8 Ų56.846%0.45528%0.281SS..Hα-helixtrans-50.5-44.7-176.5179.4-90.3000114.1E124 A130 L131 E132E124-Y128 WeakPolarHBondContact O-CB 3.32Å; E124-Y128 PolarHBondContact O-N 2.87Å; Y128-A130 VanDerWaalsContact C-N 3.29Å; Y128-A130 PolarHBondContact O-N 3.38Å; Y128-L131 PolarHBondContact O-N 3.28Å; Y128-E132 HydrophobicContact CE1-CB 4.22Å; Y128-E132 WeakPolarHBondContact O-CB 3.4Å; Y128-E132 PolarHBondContact O-N 2.93Å; Y128-E132 PolarHBondContact OH-OE1 2.96Å; Y128-E132 VanDerWaalsContact OH-OE1 3.13Å
129P94.9Very high94.3Very high26 Ų2657.6 Ų57.617%0.16928%0.28CS..Hα-helixtrans-59.6-37.8179.9-23.934.4000113.6I127 M133 W171 I174 Q182I127-P129 VanDerWaalsContact C-CD 3.44Å; P129-M133 WeakPolarHBondContact O-CB 3.22Å; P129-M133 PolarHBondContact O-N 3.4Å; P129-M133 VanDerWaalsContact O-N 3.15Å; P129-W171 HydrophobicContact CB-CZ2 4.34Å; P129-W171 WeakPolarHBondContact O-CZ2 3.39Å; P129-I174 HydrophobicContact CB-CD1 4.03Å; P129-I174 HydrophobicContact CG-CD1 4.02Å; P129-Q182 HydrophobicContact CB-CG 4.32Å
130A95.5Very high94.2Very high0 Ų058.8 Ų58.80%028%0.28CS..Hα-helixtrans-67.7-48.6174.200000111.5I127 Y128 E132 M133 F134 W171 Q182 V185 I186 M189I127-A130 WeakPolarHBondContact O-CB 3.38Å; I127-A130 PolarHBondContact O-N 2.88Å; I127-A130 VanDerWaalsContact O-N 3.1Å; Y128-A130 VanDerWaalsContact C-N 3.29Å; Y128-A130 PolarHBondContact O-N 3.38Å; A130-E132 VanDerWaalsContact C-N 3.34Å; A130-E132 PolarHBondContact O-N 2.79Å; A130-M133 PolarHBondContact O-N 2.86Å; A130-F134 WeakPolarHBondContact O-CB 3.29Å; A130-F134 PolarHBondContact O-N 2.85Å; A130-W171 HydrophobicContact CB-CH2 4.46Å; A130-Q182 HydrophobicContact CB-CB 4.11Å; A130-Q182 WeakPolarHBondContact CB-O 3.48Å; A130-V185 HydrophobicContact CB-CB 3.7Å; A130-V185 HydrophobicContact CB-CG1 3.62Å; A130-I186 HydrophobicContact CB-CD1 4.49Å; A130-I186 HydrophobicContact CB-CG1 3.93Å; A130-M189 HydrophobicContact CB-CE 4.04Å; A130-M189 WeakPolarHBondContact O-CE 3.31Å
131L93.5Very high94.2Very high42 Ų4252.6 Ų52.622%0.2226%0.256CS..Hα-helixtrans-54-51.8178.5-66.5178.5000110.8I127 Y128 M133 F134 T135 M189I127-L131 HydrophobicContact CD1-CD1 3.71Å; I127-L131 HydrophobicContact CD1-CD2 4.16Å; I127-L131 HydrophobicContact CD1-CG 4.01Å; I127-L131 HydrophobicContact CG1-CD1 3.79Å; I127-L131 HydrophobicContact CG1-CG 4.12Å; I127-L131 PolarHBondContact O-N 3.4Å; I127-L131 VanDerWaalsContact O-N 3.11Å; Y128-L131 PolarHBondContact O-N 3.28Å; L131-M133 VanDerWaalsContact C-N 3.34Å; L131-M133 PolarHBondContact O-N 2.87Å; L131-F134 PolarHBondContact O-N 3.4Å; L131-T135 WeakPolarHBondContact O-CB 3.49Å; L131-T135 PolarHBondContact O-N 3.02Å; L131-T135 PolarHBondContact O-OG1 3.45Å; L131-T135 VanDerWaalsContact O-OG1 3.13Å; L131-M189 HydrophobicContact CD2-SD 3.6Å
132E94.3Very high93.9Very high95 Ų9549.6 Ų49.644%0.44425%0.249SC..Hα-helixtrans-58.6-44.6178.4-175.5-174.1-114.400111.7Y128 A130 M136Y128-E132 HydrophobicContact CE1-CB 4.22Å; Y128-E132 WeakPolarHBondContact O-CB 3.4Å; Y128-E132 PolarHBondContact O-N 2.93Å; Y128-E132 PolarHBondContact OH-OE1 2.96Å; Y128-E132 VanDerWaalsContact OH-OE1 3.13Å; A130-E132 VanDerWaalsContact C-N 3.34Å; A130-E132 PolarHBondContact O-N 2.79Å; E132-M136 WeakPolarHBondContact O-CB 3.31Å; E132-M136 PolarHBondContact O-N 3.02Å; E132-M136 VanDerWaalsContact O-N 3.16Å
133M96.5Very high93.6Very high2 Ų254.3 Ų54.31%0.0127%0.27CS..Hα-helixtrans-63.2-44.7178.7-175172.4-70.200112.3P129 A130 L131 M136 L137 V163 R166 C167 K170 W171 I186P129-M133 WeakPolarHBondContact O-CB 3.22Å; P129-M133 PolarHBondContact O-N 3.4Å; P129-M133 VanDerWaalsContact O-N 3.15Å; A130-M133 PolarHBondContact O-N 2.86Å; L131-M133 VanDerWaalsContact C-N 3.34Å; L131-M133 PolarHBondContact O-N 2.87Å; M133-M136 HydrophobicContact CG-CE 4.22Å; M133-L137 HydrophobicContact CG-CD1 4.08Å; M133-L137 VanDerWaalsContact O-CG 3.28Å; M133-L137 WeakPolarHBondContact O-CG 3.34Å; M133-L137 PolarHBondContact O-N 3.28Å; M133-L137 VanDerWaalsContact O-N 3.12Å; M133-V163 HydrophobicContact CG-CG2 4.29Å; M133-V163 HydrophobicContact SD-CB 4.17Å; M133-V163 HydrophobicContact SD-CG1 3.96Å; M133-V163 HydrophobicContact SD-CG2 3.92Å; M133-R166 HydrophobicContact CE-CB 4.37Å; M133-C167 HydrophobicContact CE-CB 4.17Å; M133-K170 HydrophobicContact CE-CB 4.17Å; M133-K170 HydrophobicContact CE-CD 4.17Å; M133-W171 HydrophobicContact CB-CZ2 3.94Å; M133-W171 HydrophobicContact CE-CD2 4.03Å; M133-W171 VanDerWaalsContact CE-CE2 3.41Å; M133-W171 HydrophobicContact CE-CH2 4.13Å; M133-W171 HydrophobicContact CE-CZ2 3.47Å; M133-W171 VanDerWaalsContact CE-CZ2 3.47Å; M133-W171 HydrophobicContact CG-CZ2 4.4Å; M133-W171 HydrophobicContact SD-CH2 3.83Å; M133-W171 HydrophobicContact SD-CZ2 3.6Å; M133-I186 HydrophobicContact SD-CD1 4.28Å
134F96.6Very high93.4Very high9 Ų952.6 Ų52.64%0.03926%0.256CS..Hα-helixtrans-70.8-45.4-176.8-172.5-90.3000112.2A130 L131 M136 L137 L138 I159 I186 M189 L190 E193A130-F134 WeakPolarHBondContact O-CB 3.29Å; A130-F134 PolarHBondContact O-N 2.85Å; L131-F134 PolarHBondContact O-N 3.4Å; F134-M136 VanDerWaalsContact C-N 3.31Å; F134-M136 PolarHBondContact O-N 3.33Å; F134-L137 PolarHBondContact O-N 3.08Å; F134-L137 VanDerWaalsContact O-N 3.16Å; F134-L138 HydrophobicContact CE1-CD2 4.26Å; F134-L138 WeakPolarHBondContact O-CB 3.49Å; F134-L138 PolarHBondContact O-N 3.16Å; F134-I159 HydrophobicContact CD2-CG2 4.05Å; F134-I159 HydrophobicContact CE2-CD1 4.04Å; F134-I159 HydrophobicContact CE2-CG2 4.02Å; F134-I159 HydrophobicContact CZ-CD1 4.26Å; F134-I186 HydrophobicContact CD2-CG2 4.17Å; F134-M189 HydrophobicContact CB-CE 3.23Å; F134-M189 HydrophobicContact CB-SD 3.52Å; F134-M189 VanDerWaalsContact CB-SD 3.52Å; F134-M189 HydrophobicContact CD1-CB 3.8Å; F134-M189 HydrophobicContact CD1-CE 4.4Å; F134-M189 HydrophobicContact CD1-CG 4.36Å; F134-M189 HydrophobicContact CD1-SD 3.81Å; F134-M189 HydrophobicContact CD2-CB 3.83Å; F134-M189 HydrophobicContact CD2-CE 4.04Å; F134-M189 HydrophobicContact CD2-SD 4.45Å; F134-M189 HydrophobicContact CE1-CB 3.82Å; F134-M189 HydrophobicContact CE2-CB 3.82Å; F134-M189 HydrophobicContact CG-CB 3.82Å; F134-M189 HydrophobicContact CG-CE 3.66Å; F134-M189 HydrophobicContact CG-CG 4.39Å; F134-M189 HydrophobicContact CG-SD 3.68Å; F134-M189 HydrophobicContact CZ-CB 3.82Å; F134-L190 HydrophobicContact CE2-CD2 3.77Å; F134-L190 HydrophobicContact CE2-CG 3.97Å; F134-L190 HydrophobicContact CZ-CD2 4.47Å; F134-E193 HydrophobicContact CZ-CB 4.14Å
135T93.9Very high93.1Very high44 Ų4450.1 Ų50.127%0.2724%0.244SC..Hα-helixtrans-58.6-44.2176.9-61.60000111.2L131 L137 L138 N139L131-T135 WeakPolarHBondContact O-CB 3.49Å; L131-T135 PolarHBondContact O-N 3.02Å; L131-T135 PolarHBondContact O-OG1 3.45Å; L131-T135 VanDerWaalsContact O-OG1 3.13Å; T135-L137 PolarHBondContact O-N 3.14Å; T135-L138 PolarHBondContact O-N 2.96Å; T135-N139 VanDerWaalsContact O-CG 3.28Å; T135-N139 PolarHBondContact O-N 3.08Å; T135-N139 PolarHBondContact O-ND2 3.35Å
136M95.3Very high92.5Very high46 Ų4648 Ų4823%0.22724%0.241CC..Hα-helixtrans-57.6-49.2174.2171.2-171.247.500111.7E132 M133 F134 L138 N139 E140 K170E132-M136 WeakPolarHBondContact O-CB 3.31Å; E132-M136 PolarHBondContact O-N 3.02Å; E132-M136 VanDerWaalsContact O-N 3.16Å; M133-M136 HydrophobicContact CG-CE 4.22Å; F134-M136 VanDerWaalsContact C-N 3.31Å; F134-M136 PolarHBondContact O-N 3.33Å; M136-L138 PolarHBondContact O-N 3.09Å; M136-N139 PolarHBondContact O-N 3.08Å; M136-E140 WeakPolarHBondContact CG-OE1 3.37Å; M136-E140 WeakPolarHBondContact O-CG 3.37Å; M136-E140 PolarHBondContact O-N 2.87Å; M136-K170 VanDerWaalsContact CE-NZ 3.32Å; M136-K170 PolarHBondContact SD-NZ 3.37Å; M136-K170 VanDerWaalsContact SD-NZ 3.37Å
137L96.9Very high91.9Very high0 Ų049.8 Ų49.80%025%0.248CC..Hα-helixtrans-68.8-33.8-179-67.1174000112.7M133 F134 T135 N139 E140 S141 F158 I159 E162 V163M133-L137 HydrophobicContact CG-CD1 4.08Å; M133-L137 VanDerWaalsContact O-CG 3.28Å; M133-L137 WeakPolarHBondContact O-CG 3.34Å; M133-L137 PolarHBondContact O-N 3.28Å; M133-L137 VanDerWaalsContact O-N 3.12Å; F134-L137 PolarHBondContact O-N 3.08Å; F134-L137 VanDerWaalsContact O-N 3.16Å; T135-L137 PolarHBondContact O-N 3.14Å; L137-N139 VanDerWaalsContact C-N 3.34Å; L137-E140 PolarHBondContact O-N 3.39Å; L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 2.87Å; L137-S141 PolarHBondContact O-OG 3.44Å; L137-F158 HydrophobicContact CB-CE1 4.36Å; L137-F158 HydrophobicContact CD2-CE1 4.3Å; L137-F158 HydrophobicContact CD2-CZ 4.24Å; L137-F158 WeakPolarHBondContact O-CE1 3.49Å; L137-I159 HydrophobicContact CB-CG1 4.31Å; L137-I159 HydrophobicContact CD1-CG2 4.36Å; L137-E162 HydrophobicContact CD1-CB 3.93Å; L137-E162 HydrophobicContact CD2-CB 3.51Å; L137-E162 HydrophobicContact CD2-CG 4.04Å; L137-E162 HydrophobicContact CG-CB 4.38Å; L137-V163 HydrophobicContact CD1-CG2 3.51Å
138L94.4Very high91Very high34 Ų3458.5 Ų58.518%0.17829%0.293CS..Hα-helixtrans-65.8-40.4175.4-164.268.5000111.2F134 T135 M136 S141 S142 I159 E193 F210F134-L138 HydrophobicContact CE1-CD2 4.26Å; F134-L138 WeakPolarHBondContact O-CB 3.49Å; F134-L138 PolarHBondContact O-N 3.16Å; T135-L138 PolarHBondContact O-N 2.96Å; M136-L138 PolarHBondContact O-N 3.09Å; L138-S141 WeakPolarHBondContact O-CB 3.49Å; L138-S141 PolarHBondContact O-N 2.71Å; L138-S142 PolarHBondContact O-N 3.31Å; L138-S142 PolarHBondContact O-OG 3.28Å; L138-I159 HydrophobicContact CD1-CD1 4.25Å; L138-E193 HydrophobicContact CD1-CG 4.01Å; L138-F210 HydrophobicContact CD1-CE1 3.76Å; L138-F210 HydrophobicContact CD1-CZ 3.56Å; L138-F210 HydrophobicContact CG-CE1 4.15Å; L138-F210 HydrophobicContact CG-CZ 4.22Å
139N92.6Very high90.2Very high86 Ų8655.5 Ų55.546%0.4630%0.298SS..Hα-helixtrans-62.9-47.8173.5-71.2-18.1000111.3T135 M136 L137 S141 S142T135-N139 VanDerWaalsContact O-CG 3.28Å; T135-N139 PolarHBondContact O-N 3.08Å; T135-N139 PolarHBondContact O-ND2 3.35Å; M136-N139 PolarHBondContact O-N 3.08Å; L137-N139 VanDerWaalsContact C-N 3.34Å; N139-S141 VanDerWaalsContact C-N 3.26Å; N139-S141 PolarHBondContact O-N 3.45Å; N139-S142 WeakPolarHBondContact O-CB 3.36Å; N139-S142 PolarHBondContact O-N 3.47Å
140E94.6Very high89.6Confident47 Ų4758.3 Ų58.322%0.2231%0.309CS..Hα-helixtrans-59.4-36.4175.4-72175.4-153.200112.3M136 L137 S142 E143 F144 F158 R166M136-E140 WeakPolarHBondContact CG-OE1 3.37Å; M136-E140 WeakPolarHBondContact O-CG 3.37Å; M136-E140 PolarHBondContact O-N 2.87Å; L137-E140 PolarHBondContact O-N 3.39Å; E140-S142 PolarHBondContact O-N 3.16Å; E140-E143 WeakPolarHBondContact O-CB 3.43Å; E140-E143 PolarHBondContact O-N 3.18Å; E140-E143 VanDerWaalsContact O-N 3.08Å; E140-F144 WeakPolarHBondContact O-CD2 3.41Å; E140-F158 HydrophobicContact CB-CE1 4.19Å; E140-F158 HydrophobicContact CB-CZ 3.98Å; E140-R166 VanDerWaalsContact CD-NH1 3.34Å; E140-R166 IonicContact OE1-CZ 3.11Å; E140-R166 IonicContact OE1-NH1 2.7Å; E140-R166 PolarHBondContact OE1-NH1 3.01Å; E140-R166 IonicContact OE1-NH2 2.76Å; E140-R166 IonicContact OE2-CZ 3.45Å; E140-R166 VanDerWaalsContact OE2-CZ 3.31Å; E140-R166 IonicContact OE2-NH1 2.82Å; E140-R166 PolarHBondContact OE2-NH1 2.8Å; E140-R166 VanDerWaalsContact OE2-NH1 3.11Å; E140-R166 IonicContact OE2-NH2 3.6Å; E140-R166 PolarHBondContact OE2-NH2 3.43Å
141S94Very high89.3Confident0 Ų062.3 Ų62.30%034%0.335CS..Hα-helixtrans-57.7-34.7175.9-57.40000111.8L137 L138 N139 E143 F158L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 2.87Å; L137-S141 PolarHBondContact O-OG 3.44Å; L138-S141 WeakPolarHBondContact O-CB 3.49Å; L138-S141 PolarHBondContact O-N 2.71Å; N139-S141 VanDerWaalsContact C-N 3.26Å; N139-S141 PolarHBondContact O-N 3.45Å; S141-E143 VanDerWaalsContact C-N 3.3Å; S141-E143 PolarHBondContact O-N 2.63Å; S141-F158 WeakPolarHBondContact OG-CD1 3.38Å; S141-F158 VanDerWaalsContact OG-CE1 3.32Å; S141-F158 WeakPolarHBondContact OG-CE1 3.34Å
142S90.1Very high89.3Confident41 Ų4162.6 Ų62.629%0.28733%0.333SS..Hα-helixtrans-75.3-18.2-178.9-58.80000113.1L138 N139 E140 F144 F210 G211L138-S142 PolarHBondContact O-N 3.31Å; L138-S142 PolarHBondContact O-OG 3.28Å; N139-S142 WeakPolarHBondContact O-CB 3.36Å; N139-S142 PolarHBondContact O-N 3.47Å; E140-S142 PolarHBondContact O-N 3.16Å; S142-F144 VanDerWaalsContact C-N 3.33Å; S142-F210 WeakPolarHBondContact OG-CD1 3.25Å; S142-F210 WeakPolarHBondContact OG-CE1 3.42Å; S142-G211 VanDerWaalsContact O-CA 3.32Å; S142-G211 WeakPolarHBondContact O-CA 3.42Å
143E90.9Very high89.3Confident117 Ų11761.3 Ų61.355%0.54734%0.339SS..Hα-helixtrans-78.3-19.5-179.6-61-176.8172.700112.7E140 S141 Q145 N146E140-E143 WeakPolarHBondContact O-CB 3.43Å; E140-E143 PolarHBondContact O-N 3.18Å; E140-E143 VanDerWaalsContact O-N 3.08Å; S141-E143 VanDerWaalsContact C-N 3.3Å; S141-E143 PolarHBondContact O-N 2.63Å; E143-Q145 PolarHBondContact O-N 3.19Å; E143-N146 PolarHBondContact O-N 3.22Å
144F89.4Confident89.4Confident19 Ų1961.3 Ų61.38%0.08334%0.339CS..G310 helixtrans-63.6-20.3-178.5-79-77.4000114.3E140 S142 N146 Q147 P151 F158 L207E140-F144 WeakPolarHBondContact O-CD2 3.41Å; S142-F144 VanDerWaalsContact C-N 3.33Å; F144-N146 PolarHBondContact O-N 3.3Å; F144-Q147 HydrophobicContact CD1-CB 4.43Å; F144-Q147 HydrophobicContact CD1-CG 4.46Å; F144-Q147 VanDerWaalsContact CE1-OE1 3.29Å; F144-Q147 PolarHBondContact O-N 3.46Å; F144-P151 HydrophobicContact CD1-CG 4.23Å; F144-P151 VanDerWaalsContact CE1-CD 3.45Å; F144-P151 HydrophobicContact CE1-CG 3.36Å; F144-P151 HydrophobicContact CZ-CG 3.86Å; F144-F158 HydrophobicContact CE2-CD2 4.14Å; F144-F158 HydrophobicContact CE2-CE1 4.31Å; F144-F158 AromaticContact CE2-CE2 3.77Å; F144-F158 HydrophobicContact CE2-CE2 3.77Å; F144-F158 AromaticContact CE2-CZ 3.87Å; F144-F158 HydrophobicContact CE2-CZ 3.87Å; F144-F158 HydrophobicContact CZ-CD2 4.33Å; F144-F158 AromaticContact CZ-CE2 3.95Å; F144-F158 HydrophobicContact CZ-CE2 3.95Å; F144-F158 HydrophobicContact CZ-CZ 4.43Å; F144-L207 HydrophobicContact CB-CD1 4.43Å; F144-L207 HydrophobicContact CB-CG 4.05Å; F144-L207 HydrophobicContact CD1-CD2 4.29Å; F144-L207 HydrophobicContact CD1-CG 4.47Å; F144-L207 HydrophobicContact CD2-CD1 3.59Å; F144-L207 HydrophobicContact CD2-CD2 3.99Å; F144-L207 HydrophobicContact CD2-CG 3.78Å; F144-L207 HydrophobicContact CE1-CD2 4.44Å; F144-L207 HydrophobicContact CE2-CD1 4.1Å; F144-L207 HydrophobicContact CE2-CD2 4.11Å; F144-L207 HydrophobicContact CE2-CG 4.36Å; F144-L207 HydrophobicContact CG-CD1 4.14Å; F144-L207 HydrophobicContact CG-CD2 4.07Å; F144-L207 HydrophobicContact CG-CG 3.83Å; F144-L207 HydrophobicContact CZ-CD2 4.33Å
145Q82.3Confident89.4Confident83 Ų8360.9 Ų60.939%0.38834%0.337SS..G310 helixtrans-57.4-24.7174.872.8175.6-34.800113.5E143 G208 G211E143-Q145 PolarHBondContact O-N 3.19Å; Q145-G208 VanDerWaalsContact CA-O 3.28Å; Q145-G208 WeakPolarHBondContact CA-O 3.33Å; Q145-G211 VanDerWaalsContact CD-C 3.41Å; Q145-G211 PolarHBondContact NE2-O 3.1Å; Q145-G211 PolarHBondContact OE1-O 2.95Å
146N78.4Confident89.6Confident136 Ų13658.8 Ų58.873%0.72732%0.324SS*.G310 helixtrans-97.32.9-178.7-62.5-53.3000112.9E143 F144E143-N146 PolarHBondContact O-N 3.22Å; F144-N146 PolarHBondContact O-N 3.3Å
147Q80.9Confident89.7Confident101 Ų10159 Ų5947%0.47233%0.327SS..SBendtrans-104.6156.4-174.4-60.4-170.919.100112.4F144 G149F144-Q147 HydrophobicContact CD1-CB 4.43Å; F144-Q147 HydrophobicContact CD1-CG 4.46Å; F144-Q147 VanDerWaalsContact CE1-OE1 3.29Å; F144-Q147 PolarHBondContact O-N 3.46Å; Q147-G149 PolarHBondContact O-N 3.21Å
148L73.3Confident89.8Confident185 Ų18559.2 Ų59.297%0.96933%0.327SS*.SBendtrans-87.8107.4173.9-74.7170.9000109.9
149G75.3Confident89.9Confident53 Ų5357.6 Ų57.655%0.54632%0.319SS..SBendtrans87.4167.5177.700000113.3Q147Q147-G149 PolarHBondContact O-N 3.21Å
150E82.6Confident90.2Very high84 Ų8454.6 Ų54.639%0.39330%0.301SS..  trans-115.1114.3-179.3-62.2179.5171.700108Y152 G208E150-Y152 PolarHBondContact O-N 3.01Å; E150-G208 WeakPolarHBondContact OE1-CA 3.49Å; E150-G208 PolarHBondContact OE1-N 2.99Å
151P89Confident90.3Very high85 Ų8553.5 Ų53.555%0.55230%0.298SS*.SBendtrans-72.4-14.7179.924-27.5000113.2F144F144-P151 HydrophobicContact CD1-CG 4.23Å; F144-P151 VanDerWaalsContact CE1-CD 3.45Å; F144-P151 HydrophobicContact CE1-CG 3.36Å; F144-P151 HydrophobicContact CZ-CG 3.86Å
152Y94.2Very high90.5Very high47 Ų4754.5 Ų54.518%0.18430%0.303CS..SBendtrans-130.8157178.8-62.2-85.4000109.8E150 S154 F158 S161 E162 L207E150-Y152 PolarHBondContact O-N 3.01Å; Y152-S154 VanDerWaalsContact C-N 3.29Å; Y152-S154 PolarHBondContact O-N 3.32Å; Y152-F158 HydrophobicContact CD2-CB 4.03Å; Y152-F158 AromaticContact CD2-CD2 3.42Å; Y152-F158 HydrophobicContact CD2-CD2 3.42Å; Y152-F158 VanDerWaalsContact CD2-CD2 3.42Å; Y152-F158 HydrophobicContact CD2-CE2 4.33Å; Y152-F158 HydrophobicContact CD2-CG 4.19Å; Y152-F158 AromaticContact CE2-CD2 3.47Å; Y152-F158 HydrophobicContact CE2-CD2 3.47Å; Y152-F158 VanDerWaalsContact CE2-CD2 3.47Å; Y152-F158 HydrophobicContact CE2-CE2 4.05Å; Y152-F158 HydrophobicContact CG-CB 4.02Å; Y152-F158 HydrophobicContact CG-CD2 4.22Å; Y152-S161 VanDerWaalsContact CE1-CB 3.46Å; Y152-E162 PolarHBondContact OH-OE1 3.47Å; Y152-L207 HydrophobicContact CD2-CD2 4.44Å
153A94.9Very high90.9Very high68 Ų6852.6 Ų52.656%0.56229%0.29SS*.SBendtrans-71.5-23.9-173.400000113.8D157 T437A153-D157 PolarHBondContact N-OD2 2.88Å; A153-D157 VanDerWaalsContact N-OD2 3.11Å; A153-T437 VanDerWaalsContact O-CG2 3.26Å; A153-T437 WeakPolarHBondContact O-CG2 3.34Å
154S97.2Very high91.1Very high2 Ų253.6 Ų53.61%0.01429%0.288CS..SBendtrans-163170.7-171.664.50000111Y152 G156 D157 F158 D203 V205Y152-S154 VanDerWaalsContact C-N 3.29Å; Y152-S154 PolarHBondContact O-N 3.32Å; S154-G156 VanDerWaalsContact C-N 3.3Å; S154-G156 PolarHBondContact OG-N 3.41Å; S154-D157 PolarHBondContact O-N 2.81Å; S154-D157 WeakPolarHBondContact OG-CB 3.46Å; S154-D157 PolarHBondContact OG-N 2.85Å; S154-F158 WeakPolarHBondContact O-CB 3.32Å; S154-F158 PolarHBondContact O-N 2.88Å; S154-D203 VanDerWaalsContact CB-O 3.29Å; S154-D203 WeakPolarHBondContact CB-O 3.21Å; S154-D203 WeakPolarHBondContact OG-CA 3.36Å; S154-D203 PolarHBondContact OG-OD1 2.74Å; S154-V205 WeakPolarHBondContact CA-O 3.15Å; S154-V205 WeakPolarHBondContact CB-O 3.14Å
155V97.5Very high91.4Very high0 Ų058.4 Ų58.40%031%0.311CS..Hα-helixtrans-61.1-41.5170.2176.30000110.9F158 I159 L202 V205 L207 F210V155-F158 PolarHBondContact O-N 3.17Å; V155-I159 HydrophobicContact CG1-CD1 3.75Å; V155-I159 HydrophobicContact CG1-CG1 4.35Å; V155-I159 WeakPolarHBondContact O-CG1 3.46Å; V155-I159 PolarHBondContact O-N 2.98Å; V155-L202 HydrophobicContact CG1-CD1 4.43Å; V155-V205 HydrophobicContact CB-CB 4.28Å; V155-V205 HydrophobicContact CB-CG1 4.31Å; V155-V205 HydrophobicContact CG2-CB 4.22Å; V155-V205 HydrophobicContact CG2-CG1 3.79Å; V155-V205 PolarHBondContact N-O 2.96Å; V155-L207 HydrophobicContact CG2-CD1 4.12Å; V155-F210 HydrophobicContact CG2-CB 3.83Å; V155-F210 HydrophobicContact CG2-CD1 4.37Å; V155-F210 HydrophobicContact CG2-CD2 3.69Å; V155-F210 HydrophobicContact CG2-CE2 4.36Å; V155-F210 HydrophobicContact CG2-CG 3.7Å
156G97.9Very high92.1Very high0 Ų057.6 Ų57.60%031%0.305CS..Hα-helixtrans-62.2-43.4177.900000113S154 R160 L202S154-G156 VanDerWaalsContact C-N 3.3Å; S154-G156 PolarHBondContact OG-N 3.41Å; G156-R160 WeakPolarHBondContact O-CB 3.42Å; G156-R160 VanDerWaalsContact O-CG 3.28Å; G156-R160 WeakPolarHBondContact O-CG 3.44Å; G156-R160 PolarHBondContact O-N 3Å; G156-R160 VanDerWaalsContact O-N 3.1Å; G156-R160 PolarHBondContact O-NH1 2.67Å; G156-L202 PolarHBondContact N-O 3.37Å
157D97.8Very high92.8Very high52 Ų5251.8 Ų51.828%0.27827%0.274SS..Hα-helixtrans-65-45.9177.3-177.826.6000111.1A153 S154 S161 D203A153-D157 PolarHBondContact N-OD2 2.88Å; A153-D157 VanDerWaalsContact N-OD2 3.11Å; S154-D157 PolarHBondContact O-N 2.81Å; S154-D157 WeakPolarHBondContact OG-CB 3.46Å; S154-D157 PolarHBondContact OG-N 2.85Å; D157-S161 WeakPolarHBondContact O-CB 3.44Å; D157-S161 PolarHBondContact O-N 2.7Å; D157-S161 PolarHBondContact O-OG 3.39Å; D157-S161 PolarHBondContact OD1-OG 3.33Å; D157-D203 PolarHBondContact N-OD1 2.98Å
158F97.9Very high93.2Very high4 Ų451.3 Ų51.32%0.01828%0.278CS..Hα-helixtrans-55.6-56.6175.4171.9-109.6000111.9L137 E140 S141 F144 Y152 S154 V155 R160 S161 E162 L207L137-F158 HydrophobicContact CB-CE1 4.36Å; L137-F158 HydrophobicContact CD2-CE1 4.3Å; L137-F158 HydrophobicContact CD2-CZ 4.24Å; L137-F158 WeakPolarHBondContact O-CE1 3.49Å; E140-F158 HydrophobicContact CB-CE1 4.19Å; E140-F158 HydrophobicContact CB-CZ 3.98Å; S141-F158 WeakPolarHBondContact OG-CD1 3.38Å; S141-F158 VanDerWaalsContact OG-CE1 3.32Å; S141-F158 WeakPolarHBondContact OG-CE1 3.34Å; F144-F158 HydrophobicContact CE2-CD2 4.14Å; F144-F158 HydrophobicContact CE2-CE1 4.31Å; F144-F158 AromaticContact CE2-CE2 3.77Å; F144-F158 HydrophobicContact CE2-CE2 3.77Å; F144-F158 AromaticContact CE2-CZ 3.87Å; F144-F158 HydrophobicContact CE2-CZ 3.87Å; F144-F158 HydrophobicContact CZ-CD2 4.33Å; F144-F158 AromaticContact CZ-CE2 3.95Å; F144-F158 HydrophobicContact CZ-CE2 3.95Å; F144-F158 HydrophobicContact CZ-CZ 4.43Å; Y152-F158 HydrophobicContact CD2-CB 4.03Å; Y152-F158 AromaticContact CD2-CD2 3.42Å; Y152-F158 HydrophobicContact CD2-CD2 3.42Å; Y152-F158 VanDerWaalsContact CD2-CD2 3.42Å; Y152-F158 HydrophobicContact CD2-CE2 4.33Å; Y152-F158 HydrophobicContact CD2-CG 4.19Å; Y152-F158 AromaticContact CE2-CD2 3.47Å; Y152-F158 HydrophobicContact CE2-CD2 3.47Å; Y152-F158 VanDerWaalsContact CE2-CD2 3.47Å; Y152-F158 HydrophobicContact CE2-CE2 4.05Å; Y152-F158 HydrophobicContact CG-CB 4.02Å; Y152-F158 HydrophobicContact CG-CD2 4.22Å; S154-F158 WeakPolarHBondContact O-CB 3.32Å; S154-F158 PolarHBondContact O-N 2.88Å; V155-F158 PolarHBondContact O-N 3.17Å; F158-R160 PolarHBondContact O-N 3.39Å; F158-S161 PolarHBondContact O-N 2.94Å; F158-E162 HydrophobicContact CD2-CG 3.72Å; F158-E162 HydrophobicContact CE2-CG 3.41Å; F158-E162 VanDerWaalsContact CE2-CG 3.41Å; F158-E162 HydrophobicContact CG-CG 4.45Å; F158-E162 HydrophobicContact CZ-CG 3.87Å; F158-E162 WeakPolarHBondContact O-CB 3.39Å; F158-E162 WeakPolarHBondContact O-CG 3.47Å; F158-E162 PolarHBondContact O-N 3.16Å; F158-L207 HydrophobicContact CB-CD1 4.22Å; F158-L207 HydrophobicContact CB-CD2 4.13Å; F158-L207 HydrophobicContact CD1-CD1 4.35Å; F158-L207 HydrophobicContact CG-CD1 4.31Å; F158-L207 HydrophobicContact CG-CD2 4.45Å
159I98.1Very high94.1Very high0 Ų048.1 Ų48.10%026%0.258CS..Hα-helixtrans-59.7-49.2-176.5-67.5173000110.3F134 L137 L138 V155 S161 E162 V163 L190 L202F134-I159 HydrophobicContact CD2-CG2 4.05Å; F134-I159 HydrophobicContact CE2-CD1 4.04Å; F134-I159 HydrophobicContact CE2-CG2 4.02Å; F134-I159 HydrophobicContact CZ-CD1 4.26Å; L137-I159 HydrophobicContact CB-CG1 4.31Å; L137-I159 HydrophobicContact CD1-CG2 4.36Å; L138-I159 HydrophobicContact CD1-CD1 4.25Å; V155-I159 HydrophobicContact CG1-CD1 3.75Å; V155-I159 HydrophobicContact CG1-CG1 4.35Å; V155-I159 WeakPolarHBondContact O-CG1 3.46Å; V155-I159 PolarHBondContact O-N 2.98Å; I159-S161 VanDerWaalsContact C-N 3.33Å; I159-S161 PolarHBondContact O-N 3.4Å; I159-E162 PolarHBondContact O-N 3.21Å; I159-V163 HydrophobicContact CG2-CG2 4.14Å; I159-V163 WeakPolarHBondContact O-CB 3.46Å; I159-V163 WeakPolarHBondContact O-CG2 3.39Å; I159-V163 PolarHBondContact O-N 3.36Å; I159-L190 HydrophobicContact CB-CD2 4.35Å; I159-L190 HydrophobicContact CD1-CD2 4.37Å; I159-L190 HydrophobicContact CG2-CD2 3.95Å; I159-L202 HydrophobicContact CD1-CD1 4.24Å
160R98.1Very high94.9Very high23 Ų2350.8 Ų50.89%0.08726%0.255CS..Hα-helixtrans-64.6-39-178.2-66.1-171.7-15496.3-16.1112.2G156 F158 R164 L190 D203 L344 D346G156-R160 WeakPolarHBondContact O-CB 3.42Å; G156-R160 VanDerWaalsContact O-CG 3.28Å; G156-R160 WeakPolarHBondContact O-CG 3.44Å; G156-R160 PolarHBondContact O-N 3Å; G156-R160 VanDerWaalsContact O-N 3.1Å; G156-R160 PolarHBondContact O-NH1 2.67Å; F158-R160 PolarHBondContact O-N 3.39Å; R160-R164 VanDerWaalsContact O-CG 3.26Å; R160-R164 WeakPolarHBondContact O-CG 3.43Å; R160-R164 PolarHBondContact O-N 3.14Å; R160-L190 HydrophobicContact CG-CD1 4.3Å; R160-D203 IonicContact CZ-OD1 2.7Å; R160-D203 IonicContact CZ-OD2 2.68Å; R160-D203 VanDerWaalsContact NH1-CG 3.33Å; R160-D203 IonicContact NH1-OD1 3.77Å; R160-D203 PolarHBondContact NH1-OD1 2.92Å; R160-D203 IonicContact NH1-OD2 3.87Å; R160-D203 PolarHBondContact NH1-OD2 3.45Å; R160-D203 IonicContact NH2-OD1 3.69Å; R160-D203 PolarHBondContact NH2-OD1 2.88Å; R160-D203 IonicContact NH2-OD2 3.8Å; R160-D203 PolarHBondContact NH2-OD2 2.86Å; R160-L344 WeakPolarHBondContact CD-O 3.32Å; R160-L344 HydrophobicContact CG-CB 4.11Å; R160-L344 PolarHBondContact NE-O 2.87Å; R160-D346 IonicContact CZ-OD1 3.48Å; R160-D346 IonicContact NH2-OD1 2.69Å; R160-D346 PolarHBondContact NH2-OD1 3.09Å; R160-D346 IonicContact NH2-OD2 2.63Å
161S97.5Very high95.4Very high23 Ų2347.1 Ų47.116%0.16124%0.238CC..Hα-helixtrans-66.2-47.4178.3-70.60000111.6Y152 D157 F158 I159 R164 Q165Y152-S161 VanDerWaalsContact CE1-CB 3.46Å; D157-S161 WeakPolarHBondContact O-CB 3.44Å; D157-S161 PolarHBondContact O-N 2.7Å; D157-S161 PolarHBondContact O-OG 3.39Å; D157-S161 PolarHBondContact OD1-OG 3.33Å; F158-S161 PolarHBondContact O-N 2.94Å; I159-S161 VanDerWaalsContact C-N 3.33Å; I159-S161 PolarHBondContact O-N 3.4Å; S161-R164 PolarHBondContact O-N 3.3Å; S161-Q165 WeakPolarHBondContact O-CG 3.46Å; S161-Q165 PolarHBondContact O-N 3.21Å; S161-Q165 VanDerWaalsContact O-N 3.13Å
162E97.6Very high95.5Very high22 Ų2248.3 Ų48.310%0.10323%0.234CC..Hα-helixtrans-68.6-37.6179.4-70.1-62.9140.200112.6L137 Y152 F158 I159 R164 Q165 R166L137-E162 HydrophobicContact CD1-CB 3.93Å; L137-E162 HydrophobicContact CD2-CB 3.51Å; L137-E162 HydrophobicContact CD2-CG 4.04Å; L137-E162 HydrophobicContact CG-CB 4.38Å; Y152-E162 PolarHBondContact OH-OE1 3.47Å; F158-E162 HydrophobicContact CD2-CG 3.72Å; F158-E162 HydrophobicContact CE2-CG 3.41Å; F158-E162 VanDerWaalsContact CE2-CG 3.41Å; F158-E162 HydrophobicContact CG-CG 4.45Å; F158-E162 HydrophobicContact CZ-CG 3.87Å; F158-E162 WeakPolarHBondContact O-CB 3.39Å; F158-E162 WeakPolarHBondContact O-CG 3.47Å; F158-E162 PolarHBondContact O-N 3.16Å; I159-E162 PolarHBondContact O-N 3.21Å; E162-R164 PolarHBondContact O-N 3.5Å; E162-Q165 PolarHBondContact O-N 3.3Å; E162-R166 VanDerWaalsContact O-CB 3.31Å; E162-R166 WeakPolarHBondContact O-CB 3.24Å; E162-R166 VanDerWaalsContact O-CG 3.29Å; E162-R166 WeakPolarHBondContact O-CG 3.38Å; E162-R166 PolarHBondContact O-N 3.21Å; E162-R166 IonicContact OE2-CZ 2.88Å; E162-R166 IonicContact OE2-NE 3.79Å; E162-R166 PolarHBondContact OE2-NE 3.35Å; E162-R166 IonicContact OE2-NH2 3.64Å; E162-R166 PolarHBondContact OE2-NH2 3.19Å
163V97.6Very high95.4Very high0 Ų053.1 Ų53.10%026%0.263CS..Hα-helixtrans-58.3-49.8173.2169.10000110.3M133 L137 I159 Q165 R166 C167 L183 I186 L344M133-V163 HydrophobicContact CG-CG2 4.29Å; M133-V163 HydrophobicContact SD-CB 4.17Å; M133-V163 HydrophobicContact SD-CG1 3.96Å; M133-V163 HydrophobicContact SD-CG2 3.92Å; L137-V163 HydrophobicContact CD1-CG2 3.51Å; I159-V163 HydrophobicContact CG2-CG2 4.14Å; I159-V163 WeakPolarHBondContact O-CB 3.46Å; I159-V163 WeakPolarHBondContact O-CG2 3.39Å; I159-V163 PolarHBondContact O-N 3.36Å; V163-Q165 VanDerWaalsContact C-N 3.26Å; V163-Q165 PolarHBondContact O-N 2.94Å; V163-R166 PolarHBondContact O-N 2.74Å; V163-C167 WeakPolarHBondContact O-CB 3.44Å; V163-C167 PolarHBondContact O-N 3.38Å; V163-C167 PolarHBondContact O-SG 2.95Å; V163-L183 HydrophobicContact CG1-CD2 3.91Å; V163-I186 HydrophobicContact CB-CD1 4.35Å; V163-I186 HydrophobicContact CG1-CD1 3.57Å; V163-I186 HydrophobicContact CG2-CD1 3.74Å; V163-I186 HydrophobicContact CG2-CG2 4.43Å; V163-L344 HydrophobicContact CB-CD2 4.45Å; V163-L344 HydrophobicContact CG1-CD1 4.12Å; V163-L344 HydrophobicContact CG1-CD2 3.8Å
164R95.9Very high95.2Very high138 Ų13852 Ų5252%0.52125%0.247SC..Hα-helixtrans-59.5-36.5179.8-73.9171.9-175.5134.60.4112.5R160 S161 E162 L344R160-R164 VanDerWaalsContact O-CG 3.26Å; R160-R164 WeakPolarHBondContact O-CG 3.43Å; R160-R164 PolarHBondContact O-N 3.14Å; S161-R164 PolarHBondContact O-N 3.3Å; E162-R164 PolarHBondContact O-N 3.5Å; R164-L344 HydrophobicContact CG-CD1 3.84Å
165Q95.4Very high94.9Very high121 Ų12155.8 Ų55.857%0.56527%0.267SS*.Hα-helixtrans-76-51.6179-68.9179.928.400111.7S161 E162 V163S161-Q165 WeakPolarHBondContact O-CG 3.46Å; S161-Q165 PolarHBondContact O-N 3.21Å; S161-Q165 VanDerWaalsContact O-N 3.13Å; E162-Q165 PolarHBondContact O-N 3.3Å; V163-Q165 VanDerWaalsContact C-N 3.26Å; V163-Q165 PolarHBondContact O-N 2.94Å
166R96.1Very high94.3Very high66 Ų6660.7 Ų60.725%0.24930%0.302CS..Hα-helixtrans-76.3-28.6-171.1-62.7-178.7-168.7-1658.2112.8M133 E140 E162 V163 V168 E169 K170M133-R166 HydrophobicContact CE-CB 4.37Å; E140-R166 VanDerWaalsContact CD-NH1 3.34Å; E140-R166 IonicContact OE1-CZ 3.11Å; E140-R166 IonicContact OE1-NH1 2.7Å; E140-R166 PolarHBondContact OE1-NH1 3.01Å; E140-R166 IonicContact OE1-NH2 2.76Å; E140-R166 IonicContact OE2-CZ 3.45Å; E140-R166 VanDerWaalsContact OE2-CZ 3.31Å; E140-R166 IonicContact OE2-NH1 2.82Å; E140-R166 PolarHBondContact OE2-NH1 2.8Å; E140-R166 VanDerWaalsContact OE2-NH1 3.11Å; E140-R166 IonicContact OE2-NH2 3.6Å; E140-R166 PolarHBondContact OE2-NH2 3.43Å; E162-R166 VanDerWaalsContact O-CB 3.31Å; E162-R166 WeakPolarHBondContact O-CB 3.24Å; E162-R166 VanDerWaalsContact O-CG 3.29Å; E162-R166 WeakPolarHBondContact O-CG 3.38Å; E162-R166 PolarHBondContact O-N 3.21Å; E162-R166 IonicContact OE2-CZ 2.88Å; E162-R166 IonicContact OE2-NE 3.79Å; E162-R166 PolarHBondContact OE2-NE 3.35Å; E162-R166 IonicContact OE2-NH2 3.64Å; E162-R166 PolarHBondContact OE2-NH2 3.19Å; V163-R166 PolarHBondContact O-N 2.74Å; R166-V168 PolarHBondContact O-N 3.22Å; R166-E169 PolarHBondContact O-N 3.42Å; R166-K170 WeakPolarHBondContact O-CB 3.47Å; R166-K170 PolarHBondContact O-N 3.49Å
167C93.7Very high93.7Very high13 Ų1363.9 Ų63.99%0.08833%0.327CS..Hα-helixtrans-65.3-26.5-179.674.30000113.2M133 V163 E169 W171M133-C167 HydrophobicContact CE-CB 4.17Å; V163-C167 WeakPolarHBondContact O-CB 3.44Å; V163-C167 PolarHBondContact O-N 3.38Å; V163-C167 PolarHBondContact O-SG 2.95Å; C167-E169 VanDerWaalsContact C-N 3.3Å; C167-E169 PolarHBondContact O-N 3.02Å; C167-W171 HydrophobicContact CB-CD2 3.98Å; C167-W171 HydrophobicContact CB-CE3 3.5Å; C167-W171 VanDerWaalsContact CB-CE3 3.5Å; C167-W171 HydrophobicContact CB-CZ3 3.89Å; C167-W171 WeakPolarHBondContact O-CB 3.27Å; C167-W171 PolarHBondContact O-N 3.27Å; C167-W171 VanDerWaalsContact O-N 3.08Å
168V90.6Very high93.3Very high92 Ų9264.7 Ų64.756%0.55833%0.332SS*.Hα-helixtrans-59.1-44.6179.2176.50000110.8R166 K172R166-V168 PolarHBondContact O-N 3.22Å; V168-K172 WeakPolarHBondContact O-CB 3.5Å
169E91.4Very high93Very high117 Ų11768 Ų6855%0.54734%0.344SS..Hα-helixtrans-90.7-49.7-179.8-175.258.8-151.600111.9R166 C167 W171 K172R166-E169 PolarHBondContact O-N 3.42Å; C167-E169 VanDerWaalsContact C-N 3.3Å; C167-E169 PolarHBondContact O-N 3.02Å; E169-W171 VanDerWaalsContact C-N 3.25Å; E169-W171 PolarHBondContact O-N 3.15Å; E169-K172 WeakPolarHBondContact O-CB 3.19Å; E169-K172 WeakPolarHBondContact O-CG 3.26Å; E169-K172 PolarHBondContact O-N 3.25Å; E169-K172 IonicContact OE1-NZ 2.89Å; E169-K172 PolarHBondContact OE1-NZ 2.77Å
170K91.8Very high92.8Very high109 Ų10971.1 Ų71.147%0.47437%0.366SS..Hα-helixtrans-63.1-30.6-175.5-75.8-162.5168.2-158.50113.2M133 M136 R166M133-K170 HydrophobicContact CE-CB 4.17Å; M133-K170 HydrophobicContact CE-CD 4.17Å; M136-K170 VanDerWaalsContact CE-NZ 3.32Å; M136-K170 PolarHBondContact SD-NZ 3.37Å; M136-K170 VanDerWaalsContact SD-NZ 3.37Å; R166-K170 WeakPolarHBondContact O-CB 3.47Å; R166-K170 PolarHBondContact O-N 3.49Å
171W94.1Very high92.6Very high8 Ų870.7 Ų70.73%0.0337%0.366CS..THydrogen-bonded Turntrans-113.622.4-178.2-57.6-19.2000112.4P129 A130 M133 C167 E169 D173 I174 R179 Q182 L183 I186P129-W171 HydrophobicContact CB-CZ2 4.34Å; P129-W171 WeakPolarHBondContact O-CZ2 3.39Å; A130-W171 HydrophobicContact CB-CH2 4.46Å; M133-W171 HydrophobicContact CB-CZ2 3.94Å; M133-W171 HydrophobicContact CE-CD2 4.03Å; M133-W171 VanDerWaalsContact CE-CE2 3.41Å; M133-W171 HydrophobicContact CE-CH2 4.13Å; M133-W171 HydrophobicContact CE-CZ2 3.47Å; M133-W171 VanDerWaalsContact CE-CZ2 3.47Å; M133-W171 HydrophobicContact CG-CZ2 4.4Å; M133-W171 HydrophobicContact SD-CH2 3.83Å; M133-W171 HydrophobicContact SD-CZ2 3.6Å; C167-W171 HydrophobicContact CB-CD2 3.98Å; C167-W171 HydrophobicContact CB-CE3 3.5Å; C167-W171 VanDerWaalsContact CB-CE3 3.5Å; C167-W171 HydrophobicContact CB-CZ3 3.89Å; C167-W171 WeakPolarHBondContact O-CB 3.27Å; C167-W171 PolarHBondContact O-N 3.27Å; C167-W171 VanDerWaalsContact O-N 3.08Å; E169-W171 VanDerWaalsContact C-N 3.25Å; E169-W171 PolarHBondContact O-N 3.15Å; W171-D173 PolarHBondContact O-N 3.36Å; W171-I174 HydrophobicContact CB-CB 4.23Å; W171-I174 HydrophobicContact CB-CD1 3.74Å; W171-I174 HydrophobicContact CB-CG1 4.02Å; W171-I174 HydrophobicContact CD2-CD1 4.4Å; W171-I174 HydrophobicContact CG-CD1 3.7Å; W171-I174 HydrophobicContact CG-CG1 4.5Å; W171-I174 WeakPolarHBondContact O-CB 3.29Å; W171-I174 PolarHBondContact O-N 2.65Å; W171-R179 HydrophobicContact CE3-CG 4.13Å; W171-R179 PolarHBondContact O-NH2 3.5Å; W171-Q182 HydrophobicContact CD2-CG 4.47Å; W171-Q182 HydrophobicContact CE3-CB 3.97Å; W171-Q182 HydrophobicContact CE3-CG 4.27Å; W171-Q182 HydrophobicContact CH2-CB 3.43Å; W171-Q182 VanDerWaalsContact CH2-CB 3.43Å; W171-Q182 HydrophobicContact CH2-CG 4.17Å; W171-Q182 HydrophobicContact CZ2-CB 4.08Å; W171-Q182 HydrophobicContact CZ2-CG 4.37Å; W171-Q182 HydrophobicContact CZ3-CB 3.37Å; W171-Q182 HydrophobicContact CZ3-CG 4.12Å; W171-L183 HydrophobicContact CZ3-CD2 4.07Å; W171-I186 HydrophobicContact CH2-CD1 3.64Å; W171-I186 HydrophobicContact CZ2-CD1 4.44Å
172K91.1Very high92.6Very high110 Ų11069.9 Ų69.948%0.47836%0.359SS..THydrogen-bonded Turntrans-57-32.6-178.970.5-172.5175.5-171.60113.7V168 E169V168-K172 WeakPolarHBondContact O-CB 3.5Å; E169-K172 WeakPolarHBondContact O-CB 3.19Å; E169-K172 WeakPolarHBondContact O-CG 3.26Å; E169-K172 PolarHBondContact O-N 3.25Å; E169-K172 IonicContact OE1-NZ 2.89Å; E169-K172 PolarHBondContact OE1-NZ 2.77Å
173D91.4Very high92.5Very high148 Ų14870.5 Ų70.579%0.79136%0.363SS*.THydrogen-bonded Turntrans-91.5-2.4-178.4-57.3-51.6000113.1W171W171-D173 PolarHBondContact O-N 3.36Å
174I89.7Confident92.5Very high43 Ų4370.7 Ų70.722%0.22137%0.365CS..SBendtrans-87128.7173.7-53.9-173.7000108.4P129 W171 N178 R179P129-I174 HydrophobicContact CB-CD1 4.03Å; P129-I174 HydrophobicContact CG-CD1 4.02Å; W171-I174 HydrophobicContact CB-CB 4.23Å; W171-I174 HydrophobicContact CB-CD1 3.74Å; W171-I174 HydrophobicContact CB-CG1 4.02Å; W171-I174 HydrophobicContact CD2-CD1 4.4Å; W171-I174 HydrophobicContact CG-CD1 3.7Å; W171-I174 HydrophobicContact CG-CG1 4.5Å; W171-I174 WeakPolarHBondContact O-CB 3.29Å; W171-I174 PolarHBondContact O-N 2.65Å; I174-N178 HydrophobicContact CG2-CB 3.46Å; I174-N178 VanDerWaalsContact CG2-CB 3.46Å; I174-R179 HydrophobicContact CG2-CB 4.49Å
175D91Very high92.5Very high83 Ų8364.1 Ų64.144%0.44434%0.34SS..  trans-62.1161.7177.168.185.5000112.4A177 N178 R179D175-A177 VanDerWaalsContact C-N 3.32Å; D175-A177 PolarHBondContact O-N 2.9Å; D175-A177 WeakPolarHBondContact OD1-CB 3.38Å; D175-A177 PolarHBondContact OD1-N 2.94Å; D175-A177 VanDerWaalsContact OD1-N 3.09Å; D175-N178 PolarHBondContact O-N 2.9Å; D175-N178 PolarHBondContact OD1-N 3.2Å; D175-N178 WeakPolarHBondContact OD2-CB 3.39Å; D175-N178 PolarHBondContact OD2-ND2 2.94Å; D175-R179 WeakPolarHBondContact O-CB 3.37Å; D175-R179 PolarHBondContact O-N 3.48Å
176S86.6Confident92.6Very high103 Ų10358.4 Ų58.472%0.7231%0.313SS*.Hα-helixtrans-62.2-35.3-172.655.60000113.9R179 S180S176-R179 PolarHBondContact O-N 3.47Å; S176-S180 PolarHBondContact O-N 2.92Å
177A84.8Confident92.7Very high66 Ų6655.2 Ų55.255%0.54530%0.301SS..Hα-helixtrans-70.2-46.2179.700000110.5D175 R179 S180 L181D175-A177 VanDerWaalsContact C-N 3.32Å; D175-A177 PolarHBondContact O-N 2.9Å; D175-A177 WeakPolarHBondContact OD1-CB 3.38Å; D175-A177 PolarHBondContact OD1-N 2.94Å; D175-A177 VanDerWaalsContact OD1-N 3.09Å; A177-R179 VanDerWaalsContact C-N 3.31Å; A177-R179 PolarHBondContact O-N 2.75Å; A177-S180 WeakPolarHBondContact O-CB 3.28Å; A177-S180 PolarHBondContact O-N 3.49Å; A177-L181 PolarHBondContact O-N 2.85Å
178N89.3Confident92.8Very high69 Ų6954.9 Ų54.937%0.36930%0.299SS..Hα-helixtrans-65.8-33.5175-77.5-26.9000112.4I174 D175 L181 Q182I174-N178 HydrophobicContact CG2-CB 3.46Å; I174-N178 VanDerWaalsContact CG2-CB 3.46Å; D175-N178 PolarHBondContact O-N 2.9Å; D175-N178 PolarHBondContact OD1-N 3.2Å; D175-N178 WeakPolarHBondContact OD2-CB 3.39Å; D175-N178 PolarHBondContact OD2-ND2 2.94Å; N178-L181 WeakPolarHBondContact O-CB 3.34Å; N178-L181 PolarHBondContact O-N 2.72Å; N178-Q182 WeakPolarHBondContact O-CG 3.13Å; N178-Q182 PolarHBondContact O-N 3.24Å
179R91.8Very high93.1Very high73 Ų7350.8 Ų50.828%0.27527%0.274SS..Hα-helixtrans-64.5-42.3172.9-171.5179.8-68.1179.60.9111.7W171 I174 D175 S176 A177 L181 Q182 L183W171-R179 HydrophobicContact CE3-CG 4.13Å; W171-R179 PolarHBondContact O-NH2 3.5Å; I174-R179 HydrophobicContact CG2-CB 4.49Å; D175-R179 WeakPolarHBondContact O-CB 3.37Å; D175-R179 PolarHBondContact O-N 3.48Å; S176-R179 PolarHBondContact O-N 3.47Å; A177-R179 VanDerWaalsContact C-N 3.31Å; A177-R179 PolarHBondContact O-N 2.75Å; R179-L181 VanDerWaalsContact C-N 3.3Å; R179-L181 PolarHBondContact O-N 3.16Å; R179-Q182 PolarHBondContact O-N 3.37Å; R179-L183 WeakPolarHBondContact O-CG 3.46Å; R179-L183 PolarHBondContact O-N 2.99Å
180S93.2Very high93.4Very high67 Ų6745.2 Ų45.247%0.46925%0.248SC..Hα-helixtrans-60.2-42.5174.7-165.60000111.2S176 A177 Q182 L183 C184S176-S180 PolarHBondContact O-N 2.92Å; A177-S180 WeakPolarHBondContact O-CB 3.28Å; A177-S180 PolarHBondContact O-N 3.49Å; S180-Q182 PolarHBondContact O-N 3.33Å; S180-L183 PolarHBondContact O-N 2.74Å; S180-C184 PolarHBondContact O-N 2.86Å; S180-C184 VanDerWaalsContact O-N 3.11Å; S180-C184 PolarHBondContact O-SG 3.46Å
181L94.6Very high93.7Very high13 Ų1340.1 Ų40.17%0.06823%0.226CC..Hα-helixtrans-58.5-46.2174.1178.264.5000111.5L122 D126 A177 N178 R179 L183 C184 V185 V337 E339L122-L181 HydrophobicContact CD1-CD1 3.99Å; L122-L181 HydrophobicContact CD1-CD2 4.31Å; D126-L181 HydrophobicContact CB-CD2 4.45Å; A177-L181 PolarHBondContact O-N 2.85Å; N178-L181 WeakPolarHBondContact O-CB 3.34Å; N178-L181 PolarHBondContact O-N 2.72Å; R179-L181 VanDerWaalsContact C-N 3.3Å; R179-L181 PolarHBondContact O-N 3.16Å; L181-L183 VanDerWaalsContact C-N 3.28Å; L181-L183 PolarHBondContact O-N 2.71Å; L181-C184 WeakPolarHBondContact O-CA 3.25Å; L181-C184 WeakPolarHBondContact O-CB 3.25Å; L181-C184 PolarHBondContact O-N 3.35Å; L181-V185 WeakPolarHBondContact O-CG2 3.49Å; L181-V185 PolarHBondContact O-N 3.48Å; L181-V337 HydrophobicContact CD1-CG1 3.85Å; L181-E339 HydrophobicContact CD1-CG 4.38Å
182Q96.3Very high93.9Very high6 Ų645.2 Ų45.23%0.02825%0.245CC..Hα-helixtrans-57.5-39.9177.7-62-43.3-5400112.6D126 I127 P129 A130 W171 N178 R179 S180 C184 V185 I186D126-Q182 PolarHBondContact O-NE2 3.01Å; I127-Q182 PolarHBondContact O-OE1 3.23Å; P129-Q182 HydrophobicContact CB-CG 4.32Å; A130-Q182 HydrophobicContact CB-CB 4.11Å; A130-Q182 WeakPolarHBondContact CB-O 3.48Å; W171-Q182 HydrophobicContact CD2-CG 4.47Å; W171-Q182 HydrophobicContact CE3-CB 3.97Å; W171-Q182 HydrophobicContact CE3-CG 4.27Å; W171-Q182 HydrophobicContact CH2-CB 3.43Å; W171-Q182 VanDerWaalsContact CH2-CB 3.43Å; W171-Q182 HydrophobicContact CH2-CG 4.17Å; W171-Q182 HydrophobicContact CZ2-CB 4.08Å; W171-Q182 HydrophobicContact CZ2-CG 4.37Å; W171-Q182 HydrophobicContact CZ3-CB 3.37Å; W171-Q182 HydrophobicContact CZ3-CG 4.12Å; N178-Q182 WeakPolarHBondContact O-CG 3.13Å; N178-Q182 PolarHBondContact O-N 3.24Å; R179-Q182 PolarHBondContact O-N 3.37Å; S180-Q182 PolarHBondContact O-N 3.33Å; Q182-C184 VanDerWaalsContact C-N 3.33Å; Q182-C184 PolarHBondContact O-N 2.79Å; Q182-V185 WeakPolarHBondContact O-CB 3.1Å; Q182-V185 PolarHBondContact O-N 3.37Å; Q182-I186 WeakPolarHBondContact O-CG1 3.4Å; Q182-I186 PolarHBondContact O-N 2.94Å
183L96.6Very high94.1Very high35 Ų3540.8 Ų40.818%0.18323%0.226CC..Hα-helixtrans-68.3-33.2177.1-60.6173.8000112.5V163 W171 R179 S180 L181 I186 S187 A343 L344V163-L183 HydrophobicContact CG1-CD2 3.91Å; W171-L183 HydrophobicContact CZ3-CD2 4.07Å; R179-L183 WeakPolarHBondContact O-CG 3.46Å; R179-L183 PolarHBondContact O-N 2.99Å; S180-L183 PolarHBondContact O-N 2.74Å; L181-L183 VanDerWaalsContact C-N 3.28Å; L181-L183 PolarHBondContact O-N 2.71Å; L183-I186 PolarHBondContact O-N 3.23Å; L183-S187 PolarHBondContact O-N 3.4Å; L183-S187 PolarHBondContact O-OG 2.78Å; L183-A343 HydrophobicContact CB-CB 3.78Å; L183-A343 HydrophobicContact CD1-CB 4.09Å; L183-L344 HydrophobicContact CB-CD2 4.47Å; L183-L344 HydrophobicContact CD2-CD1 4.25Å; L183-L344 HydrophobicContact CD2-CD2 3.88Å; L183-L344 HydrophobicContact CD2-CG 4.13Å
184C96.3Very high94.5Very high5 Ų533.8 Ų33.83%0.03419%0.189CC..Hα-helixtrans-66.6-41.1172.6-62.20000111.3S180 L181 Q182 I186 S187 G188 V337 W338S180-C184 PolarHBondContact O-N 2.86Å; S180-C184 VanDerWaalsContact O-N 3.11Å; S180-C184 PolarHBondContact O-SG 3.46Å; L181-C184 WeakPolarHBondContact O-CA 3.25Å; L181-C184 WeakPolarHBondContact O-CB 3.25Å; L181-C184 PolarHBondContact O-N 3.35Å; Q182-C184 VanDerWaalsContact C-N 3.33Å; Q182-C184 PolarHBondContact O-N 2.79Å; C184-I186 VanDerWaalsContact C-N 3.32Å; C184-I186 PolarHBondContact O-N 2.69Å; C184-S187 VanDerWaalsContact O-CB 3.3Å; C184-S187 WeakPolarHBondContact O-CB 3.41Å; C184-S187 PolarHBondContact O-N 2.91Å; C184-S187 VanDerWaalsContact O-N 3.13Å; C184-G188 PolarHBondContact O-N 3.22Å; C184-G188 VanDerWaalsContact O-N 3.08Å; C184-V337 HydrophobicContact CB-CG1 3.81Å; C184-W338 VanDerWaalsContact CB-O 3.25Å; C184-W338 WeakPolarHBondContact CB-O 3.41Å; C184-W338 PolarHBondContact SG-O 2.73Å
185V96.8Very high94.8Very high0 Ų032 Ų320%018%0.18CC..Hα-helixtrans-60.3-43.5174177.90000110.4I127 A130 L181 Q182 S187 G188 M189 V337I127-V185 HydrophobicContact CB-CG1 3.99Å; I127-V185 HydrophobicContact CB-CG2 3.86Å; I127-V185 HydrophobicContact CG2-CG1 4.46Å; I127-V185 HydrophobicContact CG2-CG2 3.55Å; A130-V185 HydrophobicContact CB-CB 3.7Å; A130-V185 HydrophobicContact CB-CG1 3.62Å; L181-V185 WeakPolarHBondContact O-CG2 3.49Å; L181-V185 PolarHBondContact O-N 3.48Å; Q182-V185 WeakPolarHBondContact O-CB 3.1Å; Q182-V185 PolarHBondContact O-N 3.37Å; V185-S187 VanDerWaalsContact C-N 3.29Å; V185-S187 PolarHBondContact O-N 3.48Å; V185-G188 PolarHBondContact O-N 3.31Å; V185-G188 VanDerWaalsContact O-N 3.15Å; V185-M189 HydrophobicContact CG1-CE 4.07Å; V185-M189 PolarHBondContact O-N 3.05Å; V185-V337 HydrophobicContact CG2-CG1 4.04Å; V185-V337 HydrophobicContact CG2-CG2 4.12Å
186I97.9Very high94.9Very high0 Ų032 Ų320%018%0.183CC..Hα-helixtrans-60.4-38.4174.7-68175.8000112.1A130 M133 F134 V163 W171 Q182 L183 C184 G188 M189 L190 L344A130-I186 HydrophobicContact CB-CD1 4.49Å; A130-I186 HydrophobicContact CB-CG1 3.93Å; M133-I186 HydrophobicContact SD-CD1 4.28Å; F134-I186 HydrophobicContact CD2-CG2 4.17Å; V163-I186 HydrophobicContact CB-CD1 4.35Å; V163-I186 HydrophobicContact CG1-CD1 3.57Å; V163-I186 HydrophobicContact CG2-CD1 3.74Å; V163-I186 HydrophobicContact CG2-CG2 4.43Å; W171-I186 HydrophobicContact CH2-CD1 3.64Å; W171-I186 HydrophobicContact CZ2-CD1 4.44Å; Q182-I186 WeakPolarHBondContact O-CG1 3.4Å; Q182-I186 PolarHBondContact O-N 2.94Å; L183-I186 PolarHBondContact O-N 3.23Å; C184-I186 VanDerWaalsContact C-N 3.32Å; C184-I186 PolarHBondContact O-N 2.69Å; I186-G188 VanDerWaalsContact C-N 3.34Å; I186-G188 PolarHBondContact O-N 3.01Å; I186-M189 HydrophobicContact CB-CE 4.13Å; I186-M189 HydrophobicContact CG1-CE 3.58Å; I186-M189 PolarHBondContact O-N 3.46Å; I186-M189 VanDerWaalsContact O-N 3.14Å; I186-L190 HydrophobicContact CG2-CD1 4.17Å; I186-L190 HydrophobicContact CG2-CG 4.28Å; I186-L190 WeakPolarHBondContact O-CG 3.13Å; I186-L190 PolarHBondContact O-N 2.89Å; I186-L344 HydrophobicContact CB-CD2 3.8Å; I186-L344 HydrophobicContact CD1-CD2 4.36Å; I186-L344 HydrophobicContact CG2-CD2 3.4Å; I186-L344 VanDerWaalsContact CG2-CD2 3.4Å
187S97.4Very high95.3Very high0 Ų028.3 Ų28.30%016%0.155CC..Hα-helixtrans-59.4-45.3174.4-50.60000111.4L183 C184 V185 M189 L190 K191 L344 V345L183-S187 PolarHBondContact O-N 3.4Å; L183-S187 PolarHBondContact O-OG 2.78Å; C184-S187 VanDerWaalsContact O-CB 3.3Å; C184-S187 WeakPolarHBondContact O-CB 3.41Å; C184-S187 PolarHBondContact O-N 2.91Å; C184-S187 VanDerWaalsContact O-N 3.13Å; V185-S187 VanDerWaalsContact C-N 3.29Å; V185-S187 PolarHBondContact O-N 3.48Å; S187-M189 VanDerWaalsContact C-N 3.33Å; S187-M189 PolarHBondContact O-N 3.37Å; S187-L190 PolarHBondContact O-N 2.97Å; S187-K191 WeakPolarHBondContact O-CG 3.47Å; S187-K191 PolarHBondContact O-N 3.5Å; S187-K191 VanDerWaalsContact O-N 3.1Å; S187-L344 WeakPolarHBondContact OG-CA 3.26Å; S187-L344 PolarHBondContact OG-N 2.99Å; S187-V345 WeakPolarHBondContact CA-O 3.48Å; S187-V345 VanDerWaalsContact CB-O 3.3Å; S187-V345 WeakPolarHBondContact CB-O 3.24Å; S187-V345 PolarHBondContact OG-N 3.07Å
188G96.7Very high95.8Very high5 Ų525.1 Ų25.15%0.05213%0.129CC..Hα-helixtrans-59-40.2172.700000113.5C184 V185 I186 K191 R192C184-G188 PolarHBondContact O-N 3.22Å; C184-G188 VanDerWaalsContact O-N 3.08Å; V185-G188 PolarHBondContact O-N 3.31Å; V185-G188 VanDerWaalsContact O-N 3.15Å; I186-G188 VanDerWaalsContact C-N 3.34Å; I186-G188 PolarHBondContact O-N 3.01Å; G188-K191 PolarHBondContact O-N 2.89Å; G188-R192 PolarHBondContact O-N 2.67Å
189M97.2Very high96.2Very high7 Ų721.9 Ų21.93%0.03411%0.112CC..Hα-helixtrans-70.5-37.5177.7-68.7-174.5-68.900113.2A130 L131 F134 V185 I186 S187 K191 R192 E193A130-M189 HydrophobicContact CB-CE 4.04Å; A130-M189 WeakPolarHBondContact O-CE 3.31Å; L131-M189 HydrophobicContact CD2-SD 3.6Å; F134-M189 HydrophobicContact CB-CE 3.23Å; F134-M189 HydrophobicContact CB-SD 3.52Å; F134-M189 VanDerWaalsContact CB-SD 3.52Å; F134-M189 HydrophobicContact CD1-CB 3.8Å; F134-M189 HydrophobicContact CD1-CE 4.4Å; F134-M189 HydrophobicContact CD1-CG 4.36Å; F134-M189 HydrophobicContact CD1-SD 3.81Å; F134-M189 HydrophobicContact CD2-CB 3.83Å; F134-M189 HydrophobicContact CD2-CE 4.04Å; F134-M189 HydrophobicContact CD2-SD 4.45Å; F134-M189 HydrophobicContact CE1-CB 3.82Å; F134-M189 HydrophobicContact CE2-CB 3.82Å; F134-M189 HydrophobicContact CG-CB 3.82Å; F134-M189 HydrophobicContact CG-CE 3.66Å; F134-M189 HydrophobicContact CG-CG 4.39Å; F134-M189 HydrophobicContact CG-SD 3.68Å; F134-M189 HydrophobicContact CZ-CB 3.82Å; V185-M189 HydrophobicContact CG1-CE 4.07Å; V185-M189 PolarHBondContact O-N 3.05Å; I186-M189 HydrophobicContact CB-CE 4.13Å; I186-M189 HydrophobicContact CG1-CE 3.58Å; I186-M189 PolarHBondContact O-N 3.46Å; I186-M189 VanDerWaalsContact O-N 3.14Å; S187-M189 VanDerWaalsContact C-N 3.33Å; S187-M189 PolarHBondContact O-N 3.37Å; M189-K191 VanDerWaalsContact C-N 3.29Å; M189-K191 PolarHBondContact O-N 2.69Å; M189-R192 WeakPolarHBondContact O-CB 3.22Å; M189-R192 PolarHBondContact O-N 3.14Å; M189-E193 WeakPolarHBondContact O-CB 3.43Å; M189-E193 PolarHBondContact O-N 3.44Å
190L98.1Very high96.4Very high0 Ų019.5 Ų19.50%010%0.104CC..Hα-helixtrans-61.3-40.2172.4-65.3163.4000111F134 I159 R160 I186 S187 E193 C194 L202 D346F134-L190 HydrophobicContact CE2-CD2 3.77Å; F134-L190 HydrophobicContact CE2-CG 3.97Å; F134-L190 HydrophobicContact CZ-CD2 4.47Å; I159-L190 HydrophobicContact CB-CD2 4.35Å; I159-L190 HydrophobicContact CD1-CD2 4.37Å; I159-L190 HydrophobicContact CG2-CD2 3.95Å; R160-L190 HydrophobicContact CG-CD1 4.3Å; I186-L190 HydrophobicContact CG2-CD1 4.17Å; I186-L190 HydrophobicContact CG2-CG 4.28Å; I186-L190 WeakPolarHBondContact O-CG 3.13Å; I186-L190 PolarHBondContact O-N 2.89Å; S187-L190 PolarHBondContact O-N 2.97Å; L190-E193 PolarHBondContact O-N 2.88Å; L190-C194 PolarHBondContact O-N 3.12Å; L190-C194 PolarHBondContact O-SG 3.1Å; L190-L202 HydrophobicContact CB-CD1 4.43Å; L190-L202 HydrophobicContact CD2-CD1 3.56Å; L190-D346 HydrophobicContact CB-CB 3.71Å
191K97.8Very high96.6Very high1 Ų116.3 Ų16.30%0.0048%0.081CC..Hα-helixtrans-65.6-40.2174.7-66.9168.6-178.4175.60112.4S187 G188 M189 E193 C194 C195 E341 D346 K357 K358 F360S187-K191 WeakPolarHBondContact O-CG 3.47Å; S187-K191 PolarHBondContact O-N 3.5Å; S187-K191 VanDerWaalsContact O-N 3.1Å; G188-K191 PolarHBondContact O-N 2.89Å; M189-K191 VanDerWaalsContact C-N 3.29Å; M189-K191 PolarHBondContact O-N 2.69Å; K191-E193 VanDerWaalsContact C-N 3.33Å; K191-C194 WeakPolarHBondContact O-CB 3.27Å; K191-C194 PolarHBondContact O-N 3.39Å; K191-C195 PolarHBondContact O-N 3.48Å; K191-C195 PolarHBondContact O-SG 3.44Å; K191-C195 VanDerWaalsContact O-SG 3.37Å; K191-E341 IonicContact NZ-OE1 3.56Å; K191-E341 PolarHBondContact NZ-OE1 2.97Å; K191-E341 IonicContact NZ-OE2 3.23Å; K191-E341 PolarHBondContact NZ-OE2 3.38Å; K191-D346 HydrophobicContact CG-CB 4.46Å; K191-K357 WeakPolarHBondContact CD-O 3.43Å; K191-K357 WeakPolarHBondContact CE-O 3.34Å; K191-K357 PolarHBondContact NZ-O 2.9Å; K191-K358 HydrophobicContact CG-CD 4.38Å; K191-F360 HydrophobicContact CB-CB 4.03Å
192R96.8Very high96.8Very high115 Ų11515.7 Ų15.743%0.4348%0.078SC..Hα-helixtrans-57.5-48171.3176.6-175.8173.4-151.1-0.9110.7G188 M189 C194 C195 V196 F360G188-R192 PolarHBondContact O-N 2.67Å; M189-R192 WeakPolarHBondContact O-CB 3.22Å; M189-R192 PolarHBondContact O-N 3.14Å; R192-C194 VanDerWaalsContact C-N 3.31Å; R192-C194 PolarHBondContact O-N 3.29Å; R192-C195 WeakPolarHBondContact O-CA 3.37Å; R192-C195 VanDerWaalsContact O-CB 3.29Å; R192-C195 WeakPolarHBondContact O-CB 3.44Å; R192-C195 PolarHBondContact O-N 3.35Å; R192-V196 PolarHBondContact O-N 3.44Å; R192-F360 HydrophobicContact CB-CD1 4.06Å; R192-F360 HydrophobicContact CB-CD2 3.75Å; R192-F360 HydrophobicContact CB-CE1 4.12Å; R192-F360 HydrophobicContact CB-CE2 3.84Å; R192-F360 HydrophobicContact CB-CG 3.87Å; R192-F360 HydrophobicContact CB-CZ 4.03Å; R192-F360 HydrophobicContact CG-CD2 4.15Å; R192-F360 HydrophobicContact CG-CE1 4.23Å; R192-F360 HydrophobicContact CG-CE2 3.7Å; R192-F360 HydrophobicContact CG-CZ 3.75Å
193E97Very high96.8Very high18 Ų1818.1 Ų18.18%0.0849%0.091CC..Hα-helixtrans-67.5-31.4-177.8-166.456.8-148.700112.4F134 L138 M189 L190 K191 C195 V196 N197 L202F134-E193 HydrophobicContact CZ-CB 4.14Å; L138-E193 HydrophobicContact CD1-CG 4.01Å; M189-E193 WeakPolarHBondContact O-CB 3.43Å; M189-E193 PolarHBondContact O-N 3.44Å; L190-E193 PolarHBondContact O-N 2.88Å; K191-E193 VanDerWaalsContact C-N 3.33Å; E193-C195 VanDerWaalsContact C-N 3.26Å; E193-C195 PolarHBondContact O-N 2.99Å; E193-V196 PolarHBondContact O-N 2.95Å; E193-N197 PolarHBondContact O-N 2.92Å; E193-N197 PolarHBondContact O-ND2 3.41Å; E193-N197 PolarHBondContact OE1-ND2 2.76Å; E193-L202 HydrophobicContact CB-CD1 3.87Å; E193-L202 HydrophobicContact CB-CD2 4.06Å; E193-L202 HydrophobicContact CB-CG 4.45Å; E193-L202 HydrophobicContact CG-CD1 3.84Å; E193-L202 HydrophobicContact CG-CD2 3.81Å; E193-L202 HydrophobicContact CG-CG 4.46Å
194C98Very high96.9Very high0 Ų019.3 Ų19.30%010%0.096CC..Hα-helixtrans-58.9-38.3167.4-66.70000111.8L190 K191 R192 G198 S199 A380L190-C194 PolarHBondContact O-N 3.12Å; L190-C194 PolarHBondContact O-SG 3.1Å; K191-C194 WeakPolarHBondContact O-CB 3.27Å; K191-C194 PolarHBondContact O-N 3.39Å; R192-C194 VanDerWaalsContact C-N 3.31Å; R192-C194 PolarHBondContact O-N 3.29Å; C194-G198 CarbonylContact O-C 3.54Å; C194-G198 VanDerWaalsContact O-CA 3.27Å; C194-G198 WeakPolarHBondContact O-CA 3.39Å; C194-G198 PolarHBondContact O-N 3.41Å; C194-S199 PolarHBondContact O-N 2.86Å; C194-A380 HydrophobicContact CB-CB 4.37Å
195C96.6Very high96.9Very high6 Ų619.2 Ų19.24%0.04110%0.095CC..Hα-helixtrans-70.9-37.4176.7-59.60000112.1K191 R192 E193 G198 N315 F360 W378 A380 Y432K191-C195 PolarHBondContact O-N 3.48Å; K191-C195 PolarHBondContact O-SG 3.44Å; K191-C195 VanDerWaalsContact O-SG 3.37Å; R192-C195 WeakPolarHBondContact O-CA 3.37Å; R192-C195 VanDerWaalsContact O-CB 3.29Å; R192-C195 WeakPolarHBondContact O-CB 3.44Å; R192-C195 PolarHBondContact O-N 3.35Å; E193-C195 VanDerWaalsContact C-N 3.26Å; E193-C195 PolarHBondContact O-N 2.99Å; C195-G198 PolarHBondContact O-N 2.82Å; C195-N315 PolarHBondContact O-ND2 2.6Å; C195-F360 HydrophobicContact CB-CE1 3.95Å; C195-W378 HydrophobicContact CB-CB 4.41Å; C195-A380 HydrophobicContact CB-CB 4.37Å; C195-Y432 PolarHBondContact O-OH 3.11Å
196V94.1Very high96.9Very high84 Ų8419.2 Ų19.251%0.50910%0.095SC..Hα-helixtrans-60.6-50.4174.8175.60000110.3R192 E193R192-V196 PolarHBondContact O-N 3.44Å; E193-V196 PolarHBondContact O-N 2.95Å
197N94.8Very high96.7Very high24 Ų2419.2 Ų19.213%0.12810%0.095CC..Hα-helixtrans-77.4-22.5-179.3-70.8-88.2000113.2E193 S199 V205 Y432 Y434E193-N197 PolarHBondContact O-N 2.92Å; E193-N197 PolarHBondContact O-ND2 3.41Å; E193-N197 PolarHBondContact OE1-ND2 2.76Å; N197-S199 VanDerWaalsContact C-N 3.34Å; N197-V205 HydrophobicContact CB-CG2 4.37Å; N197-Y432 WeakPolarHBondContact O-CE2 3.11Å; N197-Y434 WeakPolarHBondContact O-CB 3.47Å
198G94.4Very high96.4Very high0 Ų020.2 Ų20.20%011%0.106CC..THydrogen-bonded Turntrans70.730.4-171.300000112.7C194 C195 G313C194-G198 CarbonylContact O-C 3.54Å; C194-G198 VanDerWaalsContact O-CA 3.27Å; C194-G198 WeakPolarHBondContact O-CA 3.39Å; C194-G198 PolarHBondContact O-N 3.41Å; C195-G198 PolarHBondContact O-N 2.82Å; G198-G313 CarbonylContact O-C 3.59Å; G198-G313 WeakPolarHBondContact O-CA 3.42Å; G198-G313 PolarHBondContact O-N 3.12Å
199S97.1Very high96Very high0 Ų020.4 Ų20.40%011%0.106CC..  trans-100158.7177.966.80000111.8C194 N197 S201C194-S199 PolarHBondContact O-N 2.86Å; N197-S199 VanDerWaalsContact C-N 3.34Å; S199-S201 WeakPolarHBondContact CB-O 3.38Å; S199-S201 PolarHBondContact OG-O 3.41Å; S199-S201 VanDerWaalsContact OG-O 3.08Å
200H97.1Very high95.7Very high24 Ų2421.2 Ų21.211%0.11111%0.11CC..SBendtrans-73.5-35.3171.3170.954.8000111.6K358 H382 E383H200-K358 PolarHBondContact O-NZ 2.64Å; H200-H382 AromaticContact CD2-CD2 3.29Å; H200-H382 PolarHBondContact CD2-CD2 3.1Å; H200-H382 AromaticContact CD2-NE2 3.73Å; H200-H382 AromaticContact CE1-CD2 3.62Å; H200-H382 AromaticContact CG-CD2 3.46Å; H200-H382 VanDerWaalsContact CG-CD2 3.46Å; H200-H382 AromaticContact CG-CG 3.96Å; H200-H382 AromaticContact CG-NE2 3.94Å; H200-H382 AromaticContact ND1-CD2 3.66Å; H200-H382 AromaticContact ND1-CG 3.87Å; H200-H382 PolarHBondContact ND1-N 3.45Å; H200-H382 AromaticContact NE2-CD2 3.41Å; H200-H382 PolarHBondContact NE2-CD2 2.84Å; H200-E383 IonicContact CE1-OE1 2.68Å; H200-E383 IonicContact CE1-OE2 3.38Å; H200-E383 PolarHBondContact CE1-OE2 2.9Å; H200-E383 IonicContact ND1-OE2 3.21Å; H200-E383 PolarHBondContact ND1-OE2 3.04Å; H200-E383 VanDerWaalsContact ND1-OE2 3.12Å
201S97.6Very high95.3Very high0 Ų021.6 Ų21.60%011%0.114CC..  trans-146154.3175.2179.10000110.5S199 D203 E204 D346 Q347S199-S201 WeakPolarHBondContact CB-O 3.38Å; S199-S201 PolarHBondContact OG-O 3.41Å; S199-S201 VanDerWaalsContact OG-O 3.08Å; S201-D203 PolarHBondContact O-N 3.08Å; S201-D203 PolarHBondContact OG-N 2.82Å; S201-D203 PolarHBondContact OG-OD2 2.79Å; S201-E204 WeakPolarHBondContact O-CB 3.32Å; S201-E204 PolarHBondContact O-N 2.93Å; S201-D346 VanDerWaalsContact CA-OD2 3.27Å; S201-D346 WeakPolarHBondContact CA-OD2 3.44Å; S201-D346 WeakPolarHBondContact CB-OD2 3.49Å; S201-D346 PolarHBondContact OG-OD1 3.28Å; S201-D346 PolarHBondContact OG-OD2 3.42Å; S201-Q347 PolarHBondContact OG-NE2 2.74Å
202L97.9Very high95Very high0 Ų022.5 Ų22.50%012%0.118CC..G310 helixtrans-68.6-11.5167.5-60.3-169.1000112.7V155 G156 I159 L190 E193 E204 V205 D346V155-L202 HydrophobicContact CG1-CD1 4.43Å; G156-L202 PolarHBondContact N-O 3.37Å; I159-L202 HydrophobicContact CD1-CD1 4.24Å; L190-L202 HydrophobicContact CB-CD1 4.43Å; L190-L202 HydrophobicContact CD2-CD1 3.56Å; E193-L202 HydrophobicContact CB-CD1 3.87Å; E193-L202 HydrophobicContact CB-CD2 4.06Å; E193-L202 HydrophobicContact CB-CG 4.45Å; E193-L202 HydrophobicContact CG-CD1 3.84Å; E193-L202 HydrophobicContact CG-CD2 3.81Å; E193-L202 HydrophobicContact CG-CG 4.46Å; L202-E204 PolarHBondContact O-N 2.82Å; L202-V205 HydrophobicContact CD2-CG2 4.04Å; L202-V205 PolarHBondContact O-N 3.12Å; L202-D346 PolarHBondContact N-OD2 3.15Å
203D97.4Very high94.8Very high57 Ų5720.7 Ų20.731%0.30511%0.112SC..G310 helixtrans-68.3-17.5170.3-67.5-31.4000113.5S154 D157 R160 S201 T437S154-D203 VanDerWaalsContact CB-O 3.29Å; S154-D203 WeakPolarHBondContact CB-O 3.21Å; S154-D203 WeakPolarHBondContact OG-CA 3.36Å; S154-D203 PolarHBondContact OG-OD1 2.74Å; D157-D203 PolarHBondContact N-OD1 2.98Å; R160-D203 IonicContact CZ-OD1 2.7Å; R160-D203 IonicContact CZ-OD2 2.68Å; R160-D203 VanDerWaalsContact NH1-CG 3.33Å; R160-D203 IonicContact NH1-OD1 3.77Å; R160-D203 PolarHBondContact NH1-OD1 2.92Å; R160-D203 IonicContact NH1-OD2 3.87Å; R160-D203 PolarHBondContact NH1-OD2 3.45Å; R160-D203 IonicContact NH2-OD1 3.69Å; R160-D203 PolarHBondContact NH2-OD1 2.88Å; R160-D203 IonicContact NH2-OD2 3.8Å; R160-D203 PolarHBondContact NH2-OD2 2.86Å; S201-D203 PolarHBondContact O-N 3.08Å; S201-D203 PolarHBondContact OG-N 2.82Å; S201-D203 PolarHBondContact OG-OD2 2.79Å; D203-T437 WeakPolarHBondContact O-CG2 3.27Å
204E97.3Very high94.5Very high60 Ų6024.4 Ų24.428%0.2813%0.128SC..G310 helixtrans-91.5-11.3174.8-59177.5170.500112.2S201 L202 Y434 A436 T437S201-E204 WeakPolarHBondContact O-CB 3.32Å; S201-E204 PolarHBondContact O-N 2.93Å; L202-E204 PolarHBondContact O-N 2.82Å; E204-Y434 HydrophobicContact CB-CE2 3.96Å; E204-Y434 PolarHBondContact OE2-OH 3.46Å; E204-A436 CarbonylContact O-C 3.57Å; E204-A436 WeakPolarHBondContact O-CA 3.32Å; E204-A436 WeakPolarHBondContact O-CB 3.49Å; E204-T437 PolarHBondContact O-N 3.37Å
205V97.4Very high94.1Very high2 Ų229.1 Ų29.11%0.01216%0.157CC..BIsolated β-bridgetrans-89.2124.4-175.8-1770000109.8S154 V155 N197 L202 L207 F210 Y434S154-V205 WeakPolarHBondContact CA-O 3.15Å; S154-V205 WeakPolarHBondContact CB-O 3.14Å; V155-V205 HydrophobicContact CB-CB 4.28Å; V155-V205 HydrophobicContact CB-CG1 4.31Å; V155-V205 HydrophobicContact CG2-CB 4.22Å; V155-V205 HydrophobicContact CG2-CG1 3.79Å; V155-V205 PolarHBondContact N-O 2.96Å; N197-V205 HydrophobicContact CB-CG2 4.37Å; L202-V205 HydrophobicContact CD2-CG2 4.04Å; L202-V205 PolarHBondContact O-N 3.12Å; V205-L207 PolarHBondContact O-N 2.94Å; V205-F210 HydrophobicContact CG1-CD2 3.76Å; V205-F210 HydrophobicContact CG1-CE2 4.24Å; V205-Y434 HydrophobicContact CG2-CD2 4.19Å
206G95.6Very high93.8Very high1 Ų129.6 Ų29.61%0.0116%0.158CC..  trans-72.7125.2-176.200000112.2A209 F210 L435G206-A209 PolarHBondContact O-N 2.82Å; G206-F210 PolarHBondContact O-N 3.25Å; G206-L435 PolarHBondContact N-O 3.15Å
207L94.6Very high93.6Very high0 Ų027.8 Ų27.80%015%0.148CC..Hα-helixtrans-67.1-48.5-176.3-178.261.1000112.4F144 Y152 V155 F158 V205 A209 F210F144-L207 HydrophobicContact CB-CD1 4.43Å; F144-L207 HydrophobicContact CB-CG 4.05Å; F144-L207 HydrophobicContact CD1-CD2 4.29Å; F144-L207 HydrophobicContact CD1-CG 4.47Å; F144-L207 HydrophobicContact CD2-CD1 3.59Å; F144-L207 HydrophobicContact CD2-CD2 3.99Å; F144-L207 HydrophobicContact CD2-CG 3.78Å; F144-L207 HydrophobicContact CE1-CD2 4.44Å; F144-L207 HydrophobicContact CE2-CD1 4.1Å; F144-L207 HydrophobicContact CE2-CD2 4.11Å; F144-L207 HydrophobicContact CE2-CG 4.36Å; F144-L207 HydrophobicContact CG-CD1 4.14Å; F144-L207 HydrophobicContact CG-CD2 4.07Å; F144-L207 HydrophobicContact CG-CG 3.83Å; F144-L207 HydrophobicContact CZ-CD2 4.33Å; Y152-L207 HydrophobicContact CD2-CD2 4.44Å; V155-L207 HydrophobicContact CG2-CD1 4.12Å; F158-L207 HydrophobicContact CB-CD1 4.22Å; F158-L207 HydrophobicContact CB-CD2 4.13Å; F158-L207 HydrophobicContact CD1-CD1 4.35Å; F158-L207 HydrophobicContact CG-CD1 4.31Å; F158-L207 HydrophobicContact CG-CD2 4.45Å; V205-L207 PolarHBondContact O-N 2.94Å; L207-A209 PolarHBondContact O-N 3.45Å; L207-F210 WeakPolarHBondContact O-CB 3.31Å; L207-F210 PolarHBondContact O-N 2.86Å
208G90Very high93.3Very high21 Ų2126.6 Ų26.622%0.21614%0.142CC..Hα-helixtrans-69-19.2-179.300000113.3Q145 E150Q145-G208 VanDerWaalsContact CA-O 3.28Å; Q145-G208 WeakPolarHBondContact CA-O 3.33Å; E150-G208 WeakPolarHBondContact OE1-CA 3.49Å; E150-G208 PolarHBondContact OE1-N 2.99Å
209A89.1Confident93Very high8 Ų828.1 Ų28.17%0.06615%0.15CC..Hα-helixtrans-95.7-10.7176.300000113.1G206 L207 G211 Q212 L435G206-A209 PolarHBondContact O-N 2.82Å; L207-A209 PolarHBondContact O-N 3.45Å; A209-G211 PolarHBondContact O-N 3.42Å; A209-Q212 WeakPolarHBondContact O-CB 3.43Å; A209-Q212 PolarHBondContact O-N 3.17Å; A209-L435 HydrophobicContact CB-CB 3.76Å; A209-L435 HydrophobicContact CB-CD1 3.81Å; A209-L435 HydrophobicContact CB-CG 4.44Å; A209-L435 WeakPolarHBondContact O-CD1 3.3Å
210F91.5Very high92.6Very high25 Ų2530.5 Ų30.511%0.1116%0.162CC..Hα-helixtrans-60.1-44.3-171.2-170.2-113.9000112.5L138 S142 V155 V205 G206 L207 Q212L138-F210 HydrophobicContact CD1-CE1 3.76Å; L138-F210 HydrophobicContact CD1-CZ 3.56Å; L138-F210 HydrophobicContact CG-CE1 4.15Å; L138-F210 HydrophobicContact CG-CZ 4.22Å; S142-F210 WeakPolarHBondContact OG-CD1 3.25Å; S142-F210 WeakPolarHBondContact OG-CE1 3.42Å; V155-F210 HydrophobicContact CG2-CB 3.83Å; V155-F210 HydrophobicContact CG2-CD1 4.37Å; V155-F210 HydrophobicContact CG2-CD2 3.69Å; V155-F210 HydrophobicContact CG2-CE2 4.36Å; V155-F210 HydrophobicContact CG2-CG 3.7Å; V205-F210 HydrophobicContact CG1-CD2 3.76Å; V205-F210 HydrophobicContact CG1-CE2 4.24Å; G206-F210 PolarHBondContact O-N 3.25Å; L207-F210 WeakPolarHBondContact O-CB 3.31Å; L207-F210 PolarHBondContact O-N 2.86Å; F210-Q212 PolarHBondContact O-N 2.9Å; F210-Q212 VanDerWaalsContact O-N 3.13Å
211G89.9Confident92.3Very high8 Ų830 Ų308%0.08216%0.161CC..THydrogen-bonded Turntrans-69.4-5178.400000116S142 Q145 A209 Y213S142-G211 VanDerWaalsContact O-CA 3.32Å; S142-G211 WeakPolarHBondContact O-CA 3.42Å; Q145-G211 VanDerWaalsContact CD-C 3.41Å; Q145-G211 PolarHBondContact NE2-O 3.1Å; Q145-G211 PolarHBondContact OE1-O 2.95Å; A209-G211 PolarHBondContact O-N 3.42Å; G211-Y213 VanDerWaalsContact C-N 3.26Å; G211-Y213 PolarHBondContact O-N 3.48Å
212Q91.6Very high92Very high20 Ų2031.7 Ų31.79%0.09317%0.172CC..THydrogen-bonded Turntrans-66.2-29.3-178-171.181.531.300112A209 F210 L435 L472 Y473 F475A209-Q212 WeakPolarHBondContact O-CB 3.43Å; A209-Q212 PolarHBondContact O-N 3.17Å; F210-Q212 PolarHBondContact O-N 2.9Å; F210-Q212 VanDerWaalsContact O-N 3.13Å; Q212-L435 HydrophobicContact CB-CD1 3.74Å; Q212-L435 HydrophobicContact CG-CD1 3.98Å; Q212-L472 VanDerWaalsContact CG-O 3.25Å; Q212-L472 WeakPolarHBondContact CG-O 3.28Å; Q212-Y473 HydrophobicContact CG-CD1 4.42Å; Q212-Y473 WeakPolarHBondContact O-CD1 3.38Å; Q212-F475 HydrophobicContact CB-CE1 4.49Å; Q212-F475 HydrophobicContact CG-CE1 4.38Å
213Y91.8Very high91.8Very high77 Ų7732 Ų3230%0.30217%0.173SC..  trans-66.3135.9178.3-174-93.8000110.8G211 T215 F475 T477G211-Y213 VanDerWaalsContact C-N 3.26Å; G211-Y213 PolarHBondContact O-N 3.48Å; Y213-T215 HydrophobicContact CD1-CG2 4.27Å; Y213-T215 HydrophobicContact CE1-CG2 3.8Å; Y213-F475 HydrophobicContact CD2-CD2 4.36Å; Y213-F475 HydrophobicContact CD2-CE1 4.41Å; Y213-F475 AromaticContact CD2-CE2 3.94Å; Y213-F475 HydrophobicContact CD2-CE2 3.94Å; Y213-F475 AromaticContact CD2-CZ 3.98Å; Y213-F475 HydrophobicContact CD2-CZ 3.98Å; Y213-F475 HydrophobicContact CG-CZ 4.37Å; Y213-T477 HydrophobicContact CE2-CG2 3.97Å; Y213-T477 WeakPolarHBondContact OH-CG2 3.37Å
214K91.5Very high91.5Very high95 Ų9530.4 Ų30.441%0.41317%0.166SC..  trans-115.5148.4176.7-66.9-175.2-179.1-179.10110.7Y473 Y474K214-Y473 HydrophobicContact CD-CD1 4.03Å; K214-Y473 HydrophobicContact CD-CD2 4.47Å; K214-Y473 HydrophobicContact CD-CG 3.89Å; K214-Y473 HydrophobicContact CG-CD1 4.3Å; K214-Y473 HydrophobicContact CG-CG 4.31Å; K214-Y473 PolarHBondContact N-O 3.46Å; K214-Y474 HydrophobicContact CB-CD1 4.26Å; K214-Y474 HydrophobicContact CB-CE1 3.57Å; K214-Y474 VanDerWaalsContact O-CD1 3.26Å; K214-Y474 WeakPolarHBondContact O-CD1 3.41Å; K214-Y474 VanDerWaalsContact O-CE1 3.24Å; K214-Y474 WeakPolarHBondContact O-CE1 3.26Å
215T88.8Confident91.3Very high99 Ų9930.4 Ų30.461%0.60718%0.182SC*.  trans-109.5152.6174.950.60000110.6Y213Y213-T215 HydrophobicContact CD1-CG2 4.27Å; Y213-T215 HydrophobicContact CE1-CG2 3.8Å
216F91.1Very high91.2Very high16 Ų1630.4 Ų30.47%0.0718%0.183CC..  trans-92.9156.4163.4-70.4-66.5000109.3G73 E77 N78 Y474 H479G73-F216 VanDerWaalsContact CA-O 3.31Å; G73-F216 WeakPolarHBondContact CA-O 2.97Å; G73-F216 WeakPolarHBondContact O-CB 3.49Å; E77-F216 HydrophobicContact CB-CD1 3.65Å; E77-F216 HydrophobicContact CB-CE1 3.73Å; E77-F216 WeakPolarHBondContact O-CE1 3.39Å; N78-F216 HydrophobicContact CB-CB 4.38Å; N78-F216 HydrophobicContact CB-CD2 3.81Å; N78-F216 HydrophobicContact CB-CE2 4.22Å; N78-F216 HydrophobicContact CB-CG 4.05Å; F216-Y474 HydrophobicContact CD2-CE1 4.31Å; F216-Y474 HydrophobicContact CE1-CE2 4.41Å; F216-Y474 AromaticContact CE1-CZ 3.92Å; F216-Y474 WeakPolarHBondContact CE1-OH 3.4Å; F216-Y474 HydrophobicContact CE2-CD1 4.33Å; F216-Y474 HydrophobicContact CE2-CD2 4.37Å; F216-Y474 AromaticContact CE2-CE1 3.86Å; F216-Y474 HydrophobicContact CE2-CE1 3.86Å; F216-Y474 AromaticContact CE2-CE2 3.94Å; F216-Y474 HydrophobicContact CE2-CE2 3.94Å; F216-Y474 AromaticContact CE2-CZ 3.68Å; F216-Y474 HydrophobicContact CZ-CD2 4.37Å; F216-Y474 HydrophobicContact CZ-CE1 4.04Å; F216-Y474 AromaticContact CZ-CE2 3.56Å; F216-Y474 HydrophobicContact CZ-CE2 3.56Å; F216-Y474 AromaticContact CZ-CZ 3.38Å; F216-Y474 WeakPolarHBondContact CZ-OH 3.2Å; F216-H479 AromaticContact CE2-CD2 3.78Å
217P89.6Confident91.3Very high46 Ų4630.4 Ų30.430%0.29918%0.182SC..SBendtrans-71159.6172.431.2-34.9000111.2G73 S75G73-P217 CarbonylContact C-O 3.58Å; G73-P217 WeakPolarHBondContact CA-O 3.47Å; S75-P217 WeakPolarHBondContact CB-O 3.33Å; S75-P217 PolarHBondContact OG-O 3.25Å
218G87.8Confident91.4Very high0 Ų033.2 Ų33.20%020%0.196CC..SBendtrans114.3149.1177.200000113.4G73 N99 Y102 L104 D220G73-G218 WeakPolarHBondContact CA-O 3.5Å; N99-G218 VanDerWaalsContact O-CA 3.24Å; N99-G218 WeakPolarHBondContact O-CA 3.24Å; Y102-G218 PolarHBondContact O-N 3.36Å; L104-G218 VanDerWaalsContact CD1-O 3.28Å; L104-G218 WeakPolarHBondContact CD1-O 3.28Å; L104-G218 WeakPolarHBondContact CD2-O 3.32Å; L104-G218 VanDerWaalsContact CG-O 3.25Å; L104-G218 WeakPolarHBondContact CG-O 3.37Å; G218-D220 PolarHBondContact O-N 3.38Å
219L87.8Confident91.8Very high32 Ų3233.2 Ų33.217%0.16820%0.195CC..  trans-77.6122.1174.4-71.2170.6000110.7P74 N99 Y102 L104 T108 C221P74-L219 WeakPolarHBondContact CD-O 3.42Å; P74-L219 WeakPolarHBondContact CG-O 3.12Å; N99-L219 PolarHBondContact O-N 3.19Å; N99-L219 PolarHBondContact OD1-N 3.01Å; N99-L219 PolarHBondContact OD1-O 3.01Å; Y102-L219 HydrophobicContact CD1-CD2 3.48Å; Y102-L219 VanDerWaalsContact CD1-CD2 3.48Å; Y102-L219 HydrophobicContact CD1-CG 3.83Å; Y102-L219 HydrophobicContact CD2-CD1 3.89Å; Y102-L219 HydrophobicContact CD2-CD2 4.3Å; Y102-L219 HydrophobicContact CD2-CG 4.03Å; Y102-L219 HydrophobicContact CE1-CD2 3.68Å; Y102-L219 HydrophobicContact CE1-CG 4.4Å; Y102-L219 HydrophobicContact CE2-CD1 4.26Å; Y102-L219 HydrophobicContact CE2-CD2 4.47Å; Y102-L219 HydrophobicContact CG-CD1 4.02Å; Y102-L219 HydrophobicContact CG-CD2 3.81Å; Y102-L219 HydrophobicContact CG-CG 3.62Å; L104-L219 HydrophobicContact CD2-CD2 4.04Å; T108-L219 HydrophobicContact CG2-CD2 4.18Å; L219-C221 PolarHBondContact O-N 3.46Å
220D90.3Very high92.2Very high49 Ų4932.8 Ų32.826%0.26219%0.192SC..  trans-42.6129.4-178.4-73.58.7000113.5W70 I71 H72 G73 G218W70-D220 HydrophobicContact CE3-CB 3.99Å; I71-D220 WeakPolarHBondContact O-CA 3.5Å; H72-D220 VanDerWaalsContact CA-OD1 3.25Å; H72-D220 WeakPolarHBondContact CA-OD1 3.38Å; H72-D220 IonicContact CE1-OD2 2.72Å; H72-D220 IonicContact CG-OD2 3.59Å; H72-D220 IonicContact ND1-OD1 3.35Å; H72-D220 IonicContact ND1-OD2 2.86Å; H72-D220 PolarHBondContact ND1-OD2 3.4Å; G73-D220 PolarHBondContact N-OD1 3.41Å; G73-D220 VanDerWaalsContact N-OD1 3.11Å; G218-D220 PolarHBondContact O-N 3.38Å
221C90.5Very high92.5Very high14 Ų1432 Ų3210%0.09519%0.189CC..BIsolated β-bridgetrans-121.6167.6179.378.10000112W70 I71 P74 A94 L219W70-C221 CarbonylContact C-O 3.55Å; W70-C221 WeakPolarHBondContact CA-O 3.1Å; I71-C221 PolarHBondContact N-O 3.31Å; I71-C221 PolarHBondContact O-N 3.04Å; P74-C221 HydrophobicContact CG-CB 4.19Å; A94-C221 HydrophobicContact CB-CB 3.64Å; L219-C221 PolarHBondContact O-N 3.46Å
222T91.7Very high92.9Very high35 Ų3534.4 Ų34.422%0.21521%0.208CC..  trans-119.9179.6179.965.10000111.4W70W70-T222 HydrophobicContact CD2-CG2 4.01Å; W70-T222 HydrophobicContact CE3-CG2 3.39Å; W70-T222 HydrophobicContact CH2-CG2 4.07Å; W70-T222 HydrophobicContact CZ3-CG2 3.43Å; W70-T222 VanDerWaalsContact CZ3-CG2 3.43Å
223F93.7Very high93.3Very high6 Ų635.8 Ų35.83%0.02622%0.216CC..  trans-105.2107.2174.6-69.2-103.2000109.4I71 V80 A84 L89 G225 G226 Y227 L230I71-F223 HydrophobicContact CD1-CE1 4.45Å; I71-F223 HydrophobicContact CD1-CE2 3.56Å; I71-F223 HydrophobicContact CD1-CZ 3.53Å; I71-F223 HydrophobicContact CG1-CD2 4.35Å; I71-F223 HydrophobicContact CG1-CE2 3.41Å; I71-F223 VanDerWaalsContact CG1-CE2 3.41Å; I71-F223 HydrophobicContact CG1-CZ 3.87Å; V80-F223 HydrophobicContact CG1-CZ 4.13Å; A84-F223 HydrophobicContact CB-CE1 3.58Å; A84-F223 HydrophobicContact CB-CZ 3.85Å; L89-F223 HydrophobicContact CB-CD1 3.91Å; L89-F223 HydrophobicContact CB-CE1 4.13Å; L89-F223 HydrophobicContact CD1-CD1 4.36Å; L89-F223 HydrophobicContact CD1-CE1 4.17Å; F223-G225 PolarHBondContact O-N 3.3Å; F223-G226 VanDerWaalsContact CB-C 3.42Å; F223-G226 WeakPolarHBondContact O-CA 3.49Å; F223-G226 PolarHBondContact O-N 3.48Å; F223-Y227 AromaticContact CD2-CD1 3.78Å; F223-Y227 HydrophobicContact CD2-CD1 3.78Å; F223-Y227 AromaticContact CD2-CD2 3.57Å; F223-Y227 HydrophobicContact CD2-CD2 3.57Å; F223-Y227 HydrophobicContact CD2-CE1 4.04Å; F223-Y227 AromaticContact CD2-CE2 3.85Å; F223-Y227 HydrophobicContact CD2-CE2 3.85Å; F223-Y227 AromaticContact CD2-CG 3.52Å; F223-Y227 HydrophobicContact CD2-CG 3.52Å; F223-Y227 HydrophobicContact CE1-CD1 4.32Å; F223-Y227 HydrophobicContact CE1-CE1 4.46Å; F223-Y227 AromaticContact CE2-CD1 3.41Å; F223-Y227 HydrophobicContact CE2-CD1 3.41Å; F223-Y227 VanDerWaalsContact CE2-CD1 3.41Å; F223-Y227 AromaticContact CE2-CD2 3.67Å; F223-Y227 HydrophobicContact CE2-CD2 3.67Å; F223-Y227 AromaticContact CE2-CE1 3.22Å; F223-Y227 HydrophobicContact CE2-CE1 3.22Å; F223-Y227 AromaticContact CE2-CE2 3.51Å; F223-Y227 HydrophobicContact CE2-CE2 3.51Å; F223-Y227 AromaticContact CE2-CG 3.62Å; F223-Y227 HydrophobicContact CE2-CG 3.62Å; F223-Y227 AromaticContact CE2-CZ 3.27Å; F223-Y227 HydrophobicContact CG-CD1 4.39Å; F223-Y227 HydrophobicContact CG-CG 4.19Å; F223-Y227 AromaticContact CZ-CD1 3.7Å; F223-Y227 HydrophobicContact CZ-CD1 3.7Å; F223-Y227 AromaticContact CZ-CE1 3.48Å; F223-Y227 HydrophobicContact CZ-CE1 3.48Å; F223-Y227 VanDerWaalsContact CZ-CE1 3.48Å; F223-Y227 HydrophobicContact CZ-CG 4.33Å; F223-Y227 AromaticContact CZ-CZ 3.94Å; F223-L230 HydrophobicContact CE1-CB 4.07Å; F223-L230 HydrophobicContact CZ-CB 4.47Å; F223-L230 HydrophobicContact CZ-CD2 4.41Å
224P90.4Very high93.6Very high25 Ų2532.4 Ų32.416%0.16220%0.203CC..THydrogen-bonded Turntrans-56-37.1-177.5-31.440.5000114.4L89 D91L89-P224 VanDerWaalsContact O-CD 3.29Å; L89-P224 WeakPolarHBondContact O-CD 3.28Å; D91-P224 HydrophobicContact CB-CG 4.12Å; D91-P224 WeakPolarHBondContact OD1-CG 3.47Å; D91-P224 WeakPolarHBondContact OD2-CG 3.02Å
225G92.4Very high93.9Very high59 Ų5929.5 Ų29.561%0.60819%0.191SC*.THydrogen-bonded Turntrans-90.75.6177.100000114.4F223F223-G225 PolarHBondContact O-N 3.3Å
226G95.6Very high94.3Very high3 Ų329.1 Ų29.13%0.03119%0.193CC..  trans92.8145.5-174.400000114E65 F223 E228 G229E65-G226 WeakPolarHBondContact OE1-CA 3.36Å; F223-G226 VanDerWaalsContact CB-C 3.42Å; F223-G226 WeakPolarHBondContact O-CA 3.49Å; F223-G226 PolarHBondContact O-N 3.48Å; G226-E228 PolarHBondContact O-N 2.96Å; G226-G229 PolarHBondContact O-N 2.71Å
227Y97.3Very high94.6Very high1 Ų132.7 Ų32.70%0.00421%0.21CC..THydrogen-bonded Turntrans-65.5-27.9-176.7-144-43.9000111.5I54 T56 E65 A68 W70 V80 F223 G229 L230 V478I54-Y227 HydrophobicContact CD1-CD1 4.42Å; I54-Y227 HydrophobicContact CD1-CE1 4.44Å; I54-Y227 HydrophobicContact CG2-CD1 3.9Å; I54-Y227 HydrophobicContact CG2-CG 3.96Å; T56-Y227 PolarHBondContact OG1-N 3.01Å; E65-Y227 PolarHBondContact OE1-N 3.41Å; A68-Y227 HydrophobicContact CB-CD2 3.92Å; A68-Y227 HydrophobicContact CB-CE2 3.84Å; A68-Y227 VanDerWaalsContact O-CD2 3.27Å; A68-Y227 WeakPolarHBondContact O-CD2 3.49Å; W70-Y227 WeakPolarHBondContact O-CE2 3.44Å; W70-Y227 PolarHBondContact O-OH 2.68Å; V80-Y227 HydrophobicContact CG1-CE1 4.18Å; F223-Y227 AromaticContact CD2-CD1 3.78Å; F223-Y227 HydrophobicContact CD2-CD1 3.78Å; F223-Y227 AromaticContact CD2-CD2 3.57Å; F223-Y227 HydrophobicContact CD2-CD2 3.57Å; F223-Y227 HydrophobicContact CD2-CE1 4.04Å; F223-Y227 AromaticContact CD2-CE2 3.85Å; F223-Y227 HydrophobicContact CD2-CE2 3.85Å; F223-Y227 AromaticContact CD2-CG 3.52Å; F223-Y227 HydrophobicContact CD2-CG 3.52Å; F223-Y227 HydrophobicContact CE1-CD1 4.32Å; F223-Y227 HydrophobicContact CE1-CE1 4.46Å; F223-Y227 AromaticContact CE2-CD1 3.41Å; F223-Y227 HydrophobicContact CE2-CD1 3.41Å; F223-Y227 VanDerWaalsContact CE2-CD1 3.41Å; F223-Y227 AromaticContact CE2-CD2 3.67Å; F223-Y227 HydrophobicContact CE2-CD2 3.67Å; F223-Y227 AromaticContact CE2-CE1 3.22Å; F223-Y227 HydrophobicContact CE2-CE1 3.22Å; F223-Y227 AromaticContact CE2-CE2 3.51Å; F223-Y227 HydrophobicContact CE2-CE2 3.51Å; F223-Y227 AromaticContact CE2-CG 3.62Å; F223-Y227 HydrophobicContact CE2-CG 3.62Å; F223-Y227 AromaticContact CE2-CZ 3.27Å; F223-Y227 HydrophobicContact CG-CD1 4.39Å; F223-Y227 HydrophobicContact CG-CG 4.19Å; F223-Y227 AromaticContact CZ-CD1 3.7Å; F223-Y227 HydrophobicContact CZ-CD1 3.7Å; F223-Y227 AromaticContact CZ-CE1 3.48Å; F223-Y227 HydrophobicContact CZ-CE1 3.48Å; F223-Y227 VanDerWaalsContact CZ-CE1 3.48Å; F223-Y227 HydrophobicContact CZ-CG 4.33Å; F223-Y227 AromaticContact CZ-CZ 3.94Å; Y227-G229 PolarHBondContact O-N 2.95Å; Y227-G229 VanDerWaalsContact O-N 3.1Å; Y227-L230 HydrophobicContact CD1-CB 4.5Å; Y227-L230 HydrophobicContact CD1-CD2 4.4Å; Y227-L230 HydrophobicContact CE1-CD2 3.97Å; Y227-L230 WeakPolarHBondContact O-CB 3.37Å; Y227-L230 PolarHBondContact O-N 2.89Å; Y227-V478 HydrophobicContact CE1-CB 4.47Å; Y227-V478 HydrophobicContact CE1-CG1 3.98Å; Y227-V478 HydrophobicContact CE1-CG2 4.25Å; Y227-V478 HydrophobicContact CE2-CG2 4.42Å
228E97.6Very high95Very high59 Ų5931 Ų3128%0.27620%0.198SC..Hα-helixtrans-60.7-16.6171.7-75.8-173.7155.300113.3R49 I54 T56 G226 L230 I231 A232R49-E228 IonicContact CZ-OE1 2.81Å; R49-E228 IonicContact NH1-OE1 3.42Å; R49-E228 PolarHBondContact NH1-OE1 3.11Å; I54-E228 HydrophobicContact CG2-CG 4.31Å; T56-E228 PolarHBondContact OG1-N 3.08Å; G226-E228 PolarHBondContact O-N 2.96Å; E228-L230 VanDerWaalsContact C-N 3.26Å; E228-L230 PolarHBondContact O-N 2.73Å; E228-I231 WeakPolarHBondContact O-CB 3.36Å; E228-I231 PolarHBondContact O-N 3.03Å; E228-I231 VanDerWaalsContact O-N 3.11Å; E228-A232 PolarHBondContact O-N 3.41Å
229G97.8Very high95.4Very high20 Ų2034.1 Ų34.121%0.20622%0.218CC..Hα-helixtrans-57.5-36.5168.900000113.1G226 Y227 N233G226-G229 PolarHBondContact O-N 2.71Å; Y227-G229 PolarHBondContact O-N 2.95Å; Y227-G229 VanDerWaalsContact O-N 3.1Å; G229-N233 PolarHBondContact O-N 3.17Å; G229-N233 VanDerWaalsContact O-N 3.13Å; G229-N233 PolarHBondContact O-ND2 2.92Å
230L98.3Very high95.7Very high0 Ų040.9 Ų40.90%026%0.255CS..Hα-helixtrans-65.5-42.2174.6176.964.3000111.3I24 V80 L83 Y87 L89 F223 Y227 E228 L234I24-L230 HydrophobicContact CD1-CD2 4.37Å; V80-L230 HydrophobicContact CG1-CD2 3.91Å; L83-L230 HydrophobicContact CB-CD1 3.88Å; Y87-L230 HydrophobicContact CD2-CD1 4.08Å; Y87-L230 HydrophobicContact CE2-CD1 4.14Å; L89-L230 HydrophobicContact CD1-CB 4.21Å; F223-L230 HydrophobicContact CE1-CB 4.07Å; F223-L230 HydrophobicContact CZ-CB 4.47Å; F223-L230 HydrophobicContact CZ-CD2 4.41Å; Y227-L230 HydrophobicContact CD1-CB 4.5Å; Y227-L230 HydrophobicContact CD1-CD2 4.4Å; Y227-L230 HydrophobicContact CE1-CD2 3.97Å; Y227-L230 WeakPolarHBondContact O-CB 3.37Å; Y227-L230 PolarHBondContact O-N 2.89Å; E228-L230 VanDerWaalsContact C-N 3.26Å; E228-L230 PolarHBondContact O-N 2.73Å; L230-L234 HydrophobicContact CD1-CD1 4.11Å; L230-L234 HydrophobicContact CD1-CG 4.43Å; L230-L234 HydrophobicContact CG-CD1 4.11Å; L230-L234 WeakPolarHBondContact O-CG 3.41Å; L230-L234 PolarHBondContact O-N 2.68Å; L230-L234 VanDerWaalsContact O-N 3.09Å
231I98.4Very high95.9Very high8 Ų844.3 Ų44.34%0.04127%0.273CS..Hα-helixtrans-63.3-47.9178.1-61.2-52000110.2I24 I27 I54 E228 N233 L234 M235I24-I231 HydrophobicContact CB-CD1 4.34Å; I24-I231 HydrophobicContact CD1-CD1 3.79Å; I27-I231 HydrophobicContact CD1-CD1 4.1Å; I27-I231 HydrophobicContact CD1-CG2 3.91Å; I54-I231 HydrophobicContact CB-CG1 4.37Å; I54-I231 HydrophobicContact CD1-CD1 3.86Å; I54-I231 HydrophobicContact CD1-CG1 4.34Å; I54-I231 HydrophobicContact CG2-CG1 4.09Å; E228-I231 WeakPolarHBondContact O-CB 3.36Å; E228-I231 PolarHBondContact O-N 3.03Å; E228-I231 VanDerWaalsContact O-N 3.11Å; I231-N233 VanDerWaalsContact C-N 3.34Å; I231-N233 PolarHBondContact O-N 3.12Å; I231-L234 PolarHBondContact O-N 3.19Å; I231-M235 HydrophobicContact CG2-CG 4.16Å; I231-M235 WeakPolarHBondContact O-CB 3.47Å; I231-M235 VanDerWaalsContact O-CG 3.23Å; I231-M235 WeakPolarHBondContact O-CG 3.43Å; I231-M235 PolarHBondContact O-N 2.88Å
232A98.2Very high96.2Very high59 Ų5943.8 Ų43.849%0.48827%0.269SS..Hα-helixtrans-58.5-44.4-179.900000112.2E228 M235 S236E228-A232 PolarHBondContact O-N 3.41Å; A232-M235 PolarHBondContact O-N 3.23Å; A232-S236 PolarHBondContact O-N 3.48Å
233N98.4Very high96.6Very high49 Ų4942.9 Ų42.926%0.26226%0.263SS..Hα-helixtrans-66.1-47.4178.6-80.1-83.7000112.1Y87 G229 I231 M235 S236 E237Y87-N233 HydrophobicContact CD1-CB 3.72Å; Y87-N233 HydrophobicContact CD2-CB 3.63Å; Y87-N233 HydrophobicContact CE1-CB 3.88Å; Y87-N233 HydrophobicContact CE2-CB 3.79Å; Y87-N233 HydrophobicContact CG-CB 3.6Å; G229-N233 PolarHBondContact O-N 3.17Å; G229-N233 VanDerWaalsContact O-N 3.13Å; G229-N233 PolarHBondContact O-ND2 2.92Å; I231-N233 VanDerWaalsContact C-N 3.34Å; I231-N233 PolarHBondContact O-N 3.12Å; N233-M235 VanDerWaalsContact C-N 3.3Å; N233-M235 PolarHBondContact O-N 3.37Å; N233-S236 PolarHBondContact O-N 3.35Å; N233-S236 VanDerWaalsContact O-N 3.13Å; N233-S236 PolarHBondContact O-OG 3.34Å; N233-E237 PolarHBondContact O-N 2.89Å
234L98Very high96.8Very high5 Ų546.4 Ų46.43%0.02628%0.277CS..Hα-helixtrans-61-40.2177-75.5169.2000112.3I24 I27 L83 Y87 L230 I231 S236 E237I24-L234 HydrophobicContact CD1-CD1 3.43Å; I24-L234 VanDerWaalsContact CD1-CD1 3.43Å; I27-L234 HydrophobicContact CG2-CB 3.77Å; I27-L234 HydrophobicContact CG2-CD1 4.39Å; L83-L234 HydrophobicContact CD1-CD2 4.36Å; Y87-L234 HydrophobicContact CE2-CD2 4.29Å; Y87-L234 HydrophobicContact CE2-CG 4.24Å; L230-L234 HydrophobicContact CD1-CD1 4.11Å; L230-L234 HydrophobicContact CD1-CG 4.43Å; L230-L234 HydrophobicContact CG-CD1 4.11Å; L230-L234 WeakPolarHBondContact O-CG 3.41Å; L230-L234 PolarHBondContact O-N 2.68Å; L230-L234 VanDerWaalsContact O-N 3.09Å; I231-L234 PolarHBondContact O-N 3.19Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 3.03Å; L234-E237 PolarHBondContact O-N 3.08Å
235M98.2Very high97.2Very high35 Ų3548.8 Ų48.817%0.17228%0.283CS..Hα-helixtrans-65-35.1176.5-74.5-55.3-53.300112.2I27 I231 A232 N233 E237 L238 I242 V243I27-M235 HydrophobicContact CD1-CG 4.19Å; I27-M235 HydrophobicContact CD1-SD 3.76Å; I27-M235 HydrophobicContact CG1-SD 3.74Å; I27-M235 HydrophobicContact CG2-SD 4.04Å; I231-M235 HydrophobicContact CG2-CG 4.16Å; I231-M235 WeakPolarHBondContact O-CB 3.47Å; I231-M235 VanDerWaalsContact O-CG 3.23Å; I231-M235 WeakPolarHBondContact O-CG 3.43Å; I231-M235 PolarHBondContact O-N 2.88Å; A232-M235 PolarHBondContact O-N 3.23Å; N233-M235 VanDerWaalsContact C-N 3.3Å; N233-M235 PolarHBondContact O-N 3.37Å; M235-E237 PolarHBondContact O-N 2.71Å; M235-L238 HydrophobicContact CE-CD1 4.18Å; M235-L238 PolarHBondContact O-N 2.97Å; M235-L238 VanDerWaalsContact O-N 3.08Å; M235-L238 HydrophobicContact SD-CD1 3.88Å; M235-I242 HydrophobicContact CE-CG2 4.35Å; M235-V243 HydrophobicContact CE-CG2 3.37Å; M235-V243 HydrophobicContact SD-CG2 4.4Å
236S97.7Very high97.4Very high91 Ų9150.8 Ų50.864%0.63628%0.279SS*.Hα-helixtrans-66.7-17.4178.977.10000114.2A232 N233 L234A232-S236 PolarHBondContact O-N 3.48Å; N233-S236 PolarHBondContact O-N 3.35Å; N233-S236 VanDerWaalsContact O-N 3.13Å; N233-S236 PolarHBondContact O-OG 3.34Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 3.03Å
237E97.3Very high97.6Very high91 Ų9154.6 Ų54.643%0.42529%0.293SS..THydrogen-bonded Turntrans-89.3-7.1175.1-65.8-175.3-15400113.2H31 Y87 N233 L234 M235H31-E237 IonicContact CD2-OE2 2.6Å; H31-E237 IonicContact CE1-OE2 3.35Å; H31-E237 IonicContact NE2-OE2 2.97Å; H31-E237 PolarHBondContact NE2-OE2 2.98Å; Y87-E237 WeakPolarHBondContact CE1-OE1 3.37Å; Y87-E237 VanDerWaalsContact CZ-OE1 3.27Å; Y87-E237 PolarHBondContact OH-OE1 3.28Å; N233-E237 PolarHBondContact O-N 2.89Å; L234-E237 PolarHBondContact O-N 3.08Å; M235-E237 PolarHBondContact O-N 2.71Å
238L97.5Very high97.6Very high10 Ų1055.7 Ų55.75%0.05230%0.3CS..SBendtrans-96.3157.7178.5-61.1175.8000111.4I27 A30 H31 M235 I242I27-L238 HydrophobicContact CG2-CD1 4.2Å; A30-L238 HydrophobicContact CB-CD1 4.27Å; A30-L238 HydrophobicContact CB-CD2 4.38Å; H31-L238 VanDerWaalsContact CA-CD2 3.47Å; H31-L238 HydrophobicContact CB-CD2 3.93Å; M235-L238 HydrophobicContact CE-CD1 4.18Å; M235-L238 PolarHBondContact O-N 2.97Å; M235-L238 VanDerWaalsContact O-N 3.08Å; M235-L238 HydrophobicContact SD-CD1 3.88Å; L238-I242 HydrophobicContact CB-CD1 4.36Å; L238-I242 HydrophobicContact CB-CG2 3.91Å; L238-I242 HydrophobicContact CD1-CD1 4.43Å; L238-I242 HydrophobicContact CD1-CG2 4.16Å; L238-I242 HydrophobicContact CD2-CD1 4.14Å
239P96.4Very high97.6Very high66 Ų6653.3 Ų53.343%0.42929%0.29SS..  trans-56.6138.6169-22.833.1000112.4D241 I242P239-D241 PolarHBondContact O-N 3.5Å; P239-D241 VanDerWaalsContact O-N 3.13Å; P239-I242 HydrophobicContact CB-CB 4.45Å; P239-I242 VanDerWaalsContact O-CB 3.27Å; P239-I242 WeakPolarHBondContact O-CB 3.18Å; P239-I242 WeakPolarHBondContact O-CG2 3.47Å; P239-I242 PolarHBondContact O-N 2.75Å
240D93.6Very high97.7Very high174 Ų17457.4 Ų57.493%0.9330%0.299SS*.THydrogen-bonded Turntrans-56.6-32-175.5-67.5-26.6000113.9
241D94.9Very high97.7Very high120 Ų12057.6 Ų57.664%0.64230%0.3SS*.THydrogen-bonded Turntrans-95.16.3-17768.4-27.6000113.8P239 V243P239-D241 PolarHBondContact O-N 3.5Å; P239-D241 VanDerWaalsContact O-N 3.13Å; D241-V243 PolarHBondContact O-N 3.46Å
242I97.8Very high97.7Very high4 Ų457.2 Ų57.22%0.02130%0.298CS..SBendtrans-64.5-28.6-177.2-159.1168.1000112.4A30 T34 V41 H42 I43 M235 L238 P239A30-I242 HydrophobicContact CB-CD1 3.9Å; T34-I242 HydrophobicContact CG2-CD1 3.8Å; V41-I242 HydrophobicContact CB-CD1 4.41Å; V41-I242 HydrophobicContact CG1-CD1 4.38Å; V41-I242 WeakPolarHBondContact O-CG1 3.43Å; H42-I242 CarbonylContact C-O 3.55Å; H42-I242 WeakPolarHBondContact CA-O 3.46Å; I43-I242 PolarHBondContact N-O 2.84Å; M235-I242 HydrophobicContact CE-CG2 4.35Å; L238-I242 HydrophobicContact CB-CD1 4.36Å; L238-I242 HydrophobicContact CB-CG2 3.91Å; L238-I242 HydrophobicContact CD1-CD1 4.43Å; L238-I242 HydrophobicContact CD1-CG2 4.16Å; L238-I242 HydrophobicContact CD2-CD1 4.14Å; P239-I242 HydrophobicContact CB-CB 4.45Å; P239-I242 VanDerWaalsContact O-CB 3.27Å; P239-I242 WeakPolarHBondContact O-CB 3.18Å; P239-I242 WeakPolarHBondContact O-CG2 3.47Å; P239-I242 PolarHBondContact O-N 2.75Å
243V98.5Very high97.6Very high15 Ų1557.3 Ų57.39%0.09129%0.288CS..EExtended strand (participates in β ladder)trans-107.8130.4-178.1-166.90000111.2I43 E45 M235 D241 Y245I43-V243 HydrophobicContact CB-CB 4.46Å; I43-V243 HydrophobicContact CB-CG1 4.25Å; I43-V243 HydrophobicContact CB-CG2 4.15Å; I43-V243 HydrophobicContact CD1-CG2 3.93Å; I43-V243 HydrophobicContact CG2-CG1 4.23Å; I43-V243 WeakPolarHBondContact O-CA 3.39Å; E45-V243 HydrophobicContact CB-CG1 3.96Å; M235-V243 HydrophobicContact CE-CG2 3.37Å; M235-V243 HydrophobicContact SD-CG2 4.4Å; D241-V243 PolarHBondContact O-N 3.46Å; V243-Y245 HydrophobicContact CB-CE1 4.4Å; V243-Y245 HydrophobicContact CB-CE2 3.99Å; V243-Y245 HydrophobicContact CG1-CD1 3.92Å; V243-Y245 HydrophobicContact CG1-CD2 4.24Å; V243-Y245 HydrophobicContact CG1-CE1 3.58Å; V243-Y245 HydrophobicContact CG1-CE2 3.95Å; V243-Y245 HydrophobicContact CG1-CG 4.23Å
244R98.3Very high97.4Very high81 Ų8155.8 Ų55.831%0.30628%0.278SS..EExtended strand (participates in β ladder)trans-104.8102.6165.9-58.7-176.8179.5-165.6-1109I43 L44 E45 R247 E271I43-R244 PolarHBondContact O-N 3.13Å; L44-R244 HydrophobicContact CD2-CB 3.92Å; L44-R244 HydrophobicContact CD2-CG 4.31Å; E45-R244 PolarHBondContact N-O 3.01Å; R244-R247 HydrophobicContact CB-CB 4.33Å; R244-R247 HydrophobicContact CB-CG 4.38Å; R244-R247 WeakPolarHBondContact O-CB 3.43Å; R244-E271 IonicContact NH1-OE1 3.92Å; R244-E271 PolarHBondContact NH1-OE1 3.02Å
245Y98.6Very high96.9Very high74 Ų7456 Ų5629%0.2928%0.281SS..  trans-73.9164.7174.2-62.7-71.5000112.4E45 T47 R49 S50 V243 R247E45-Y245 HydrophobicContact CB-CD1 3.91Å; E45-Y245 HydrophobicContact CB-CE1 4.31Å; E45-Y245 HydrophobicContact CG-CD1 3.74Å; E45-Y245 HydrophobicContact CG-CE1 4.07Å; E45-Y245 CarbonylContact O-C 3.55Å; T47-Y245 WeakPolarHBondContact O-CB 3.09Å; R49-Y245 VanDerWaalsContact C-CE1 3.48Å; S50-Y245 WeakPolarHBondContact OG-CE1 3.13Å; S50-Y245 PolarHBondContact OG-OH 3.31Å; V243-Y245 HydrophobicContact CB-CE1 4.4Å; V243-Y245 HydrophobicContact CB-CE2 3.99Å; V243-Y245 HydrophobicContact CG1-CD1 3.92Å; V243-Y245 HydrophobicContact CG1-CD2 4.24Å; V243-Y245 HydrophobicContact CG1-CE1 3.58Å; V243-Y245 HydrophobicContact CG1-CE2 3.95Å; V243-Y245 HydrophobicContact CG1-CG 4.23Å; Y245-R247 PolarHBondContact O-N 2.85Å; Y245-R247 PolarHBondContact O-NE 3.38Å; Y245-R247 PolarHBondContact O-NH2 3.11Å
246N98.1Very high95.8Very high101 Ų10158.4 Ų58.454%0.5429%0.294SS..SBendtrans51.938.1-177.8-61.4-61.3000112.2E45 T47 P248E45-N246 PolarHBondContact O-N 2.88Å; E45-N246 VanDerWaalsContact O-N 3.09Å; T47-N246 PolarHBondContact O-N 3.09Å; N246-P248 WeakPolarHBondContact O-CD 3.49Å
247R98.2Very high94.5Very high83 Ų8358 Ų5831%0.31329%0.288SS..  trans-124.167-173.8-127.764.862148.94.9110.5L44 E45 R244 Y245 V249L44-R247 HydrophobicContact CD2-CB 4.45Å; L44-R247 HydrophobicContact CD2-CG 4.37Å; E45-R247 PolarHBondContact O-N 3.11Å; R244-R247 HydrophobicContact CB-CB 4.33Å; R244-R247 HydrophobicContact CB-CG 4.38Å; R244-R247 WeakPolarHBondContact O-CB 3.43Å; Y245-R247 PolarHBondContact O-N 2.85Å; Y245-R247 PolarHBondContact O-NE 3.38Å; Y245-R247 PolarHBondContact O-NH2 3.11Å; R247-V249 PolarHBondContact O-N 3.21Å
248P98.3Very high92.9Very high25 Ų2560 Ų6016%0.16230%0.297CS..  trans-65.1123.3179.227.3-34.6000110.6A46 N246 C267 E268 W427A46-P248 HydrophobicContact CB-CB 3.96Å; N246-P248 WeakPolarHBondContact O-CD 3.49Å; P248-C267 CarbonylContact O-C 3.6Å; P248-C267 VanDerWaalsContact O-CA 3.3Å; P248-C267 WeakPolarHBondContact O-CA 3.2Å; P248-E268 HydrophobicContact CB-CG 3.94Å; P248-E268 HydrophobicContact CG-CB 3.89Å; P248-E268 HydrophobicContact CG-CG 3.7Å; P248-E268 PolarHBondContact O-N 2.98Å; P248-W427 HydrophobicContact CB-CH2 3.39Å; P248-W427 HydrophobicContact CB-CZ2 4.25Å; P248-W427 HydrophobicContact CB-CZ3 3.69Å; P248-W427 HydrophobicContact CG-CH2 4.13Å
249V98.6Very high91.1Very high9 Ų969.2 Ų69.26%0.05534%0.337CS..EExtended strand (participates in β ladder)trans-77.4123.6177.2173.90000109.7V20 L44 R247 V252 V265 L294V20-V249 HydrophobicContact CG1-CB 3.83Å; V20-V249 HydrophobicContact CG1-CG1 4.32Å; V20-V249 HydrophobicContact CG1-CG2 3.78Å; V20-V249 HydrophobicContact CG2-CG1 4.4Å; V20-V249 HydrophobicContact CG2-CG2 4.09Å; L44-V249 HydrophobicContact CB-CG2 3.83Å; L44-V249 HydrophobicContact CD1-CG2 3.63Å; L44-V249 HydrophobicContact CG-CG2 4.39Å; R247-V249 PolarHBondContact O-N 3.21Å; V249-V252 HydrophobicContact CG1-CG2 4.25Å; V249-V265 HydrophobicContact CB-CG1 4.37Å; V249-V265 HydrophobicContact CG1-CG1 3.6Å; V249-V265 HydrophobicContact CG2-CG1 3.81Å; V249-L294 HydrophobicContact CG1-CD1 4.06Å
250R98.1Very high89.6Confident105 Ų10570.7 Ų70.740%0.39634%0.338SS..EExtended strand (participates in β ladder)trans-86.8-47.5179.3176.7175.6172.9163.70.2112.1E266 E268R250-E266 WeakPolarHBondContact CA-O 3.49Å; R250-E266 WeakPolarHBondContact CB-O 3.29Å; R250-E266 PolarHBondContact N-O 2.88Å; R250-E268 HydrophobicContact CB-CG 4.35Å; R250-E268 WeakPolarHBondContact CB-OE1 3.44Å
251S98.5Very high88.5Confident4 Ų465.7 Ų65.73%0.02832%0.317CS..EExtended strand (participates in β ladder)trans-152.7142.9-173.4-68.60000112.4E266 R293 L294S251-E266 PolarHBondContact N-O 2.78Å; S251-E266 VanDerWaalsContact N-O 3.13Å; S251-E266 PolarHBondContact O-N 2.84Å; S251-R293 PolarHBondContact OG-O 3.18Å; S251-L294 CarbonylContact C-O 3.54Å; S251-L294 WeakPolarHBondContact CA-O 3.35Å
252V98.4Very high87.9Confident0 Ų061.9 Ų61.90%030%0.3CS..EExtended strand (participates in β ladder)trans-111109.5170.8-179.20000107.5V249 V263 V278 L294 F295 R296 V463V249-V252 HydrophobicContact CG1-CG2 4.25Å; V252-V263 HydrophobicContact CG1-CG1 3.56Å; V252-V278 HydrophobicContact CG1-CB 4.45Å; V252-V278 HydrophobicContact CG1-CG1 4.39Å; V252-V278 HydrophobicContact CG1-CG2 4.33Å; V252-V278 HydrophobicContact CG2-CG1 4.42Å; V252-L294 HydrophobicContact CG2-CD1 4.39Å; V252-L294 PolarHBondContact N-O 3.34Å; V252-F295 HydrophobicContact CB-CD1 4.26Å; V252-F295 HydrophobicContact CB-CE1 4.45Å; V252-R296 PolarHBondContact O-N 3.28Å; V252-V463 HydrophobicContact CG1-CG2 4.1Å
253F96.9Very high87.7Confident62 Ų6261.7 Ų61.727%0.27230%0.299SS..EExtended strand (participates in β ladder)trans-90.6108.8176.8-58.5-95.4000109.8V263 I264 E266 R296F253-V263 WeakPolarHBondContact O-CA 3.22Å; F253-V263 VanDerWaalsContact O-CG1 3.31Å; F253-V263 WeakPolarHBondContact O-CG1 3.42Å; F253-I264 HydrophobicContact CB-CB 4.08Å; F253-I264 HydrophobicContact CD2-CB 4.28Å; F253-I264 HydrophobicContact CD2-CG2 4.44Å; F253-I264 PolarHBondContact N-O 2.9Å; F253-I264 PolarHBondContact O-N 2.81Å; F253-E266 HydrophobicContact CD2-CB 4.41Å; F253-E266 HydrophobicContact CE2-CB 3.72Å; F253-E266 HydrophobicContact CE2-CG 4.49Å; F253-R296 CarbonylContact C-O 3.46Å; F253-R296 WeakPolarHBondContact CA-O 3.5Å; F253-R296 HydrophobicContact CD1-CB 3.52Å; F253-R296 HydrophobicContact CD1-CG 4.06Å; F253-R296 HydrophobicContact CE1-CB 3.84Å; F253-R296 HydrophobicContact CE1-CG 3.85Å; F253-R296 HydrophobicContact CG-CB 4.21Å; F253-R296 HydrophobicContact CZ-CG 4.45Å
254W93.9Very high87.6Confident16 Ų1663 Ų636%0.06130%0.304CS..  trans-120.1172.518068.3-75.9000110.6N256 V263 R296 P297 L451 P452 V463W254-N256 HydrophobicContact CH2-CB 4.36Å; W254-N256 HydrophobicContact CZ3-CB 4.04Å; W254-V263 HydrophobicContact CB-CG1 4.43Å; W254-R296 PolarHBondContact N-O 2.97Å; W254-P297 HydrophobicContact CD2-CG 4.41Å; W254-P297 HydrophobicContact CZ2-CG 3.94Å; W254-P297 PolarHBondContact NE1-O 2.87Å; W254-P297 WeakPolarHBondContact O-CD 3.25Å; W254-L451 HydrophobicContact CD2-CB 4.44Å; W254-L451 HydrophobicContact CD2-CD1 4.35Å; W254-L451 HydrophobicContact CE3-CB 4.03Å; W254-L451 HydrophobicContact CH2-CB 4.34Å; W254-L451 HydrophobicContact CH2-CD1 4.23Å; W254-L451 HydrophobicContact CH2-CD2 4.22Å; W254-L451 HydrophobicContact CZ2-CD1 3.92Å; W254-L451 HydrophobicContact CZ3-CB 3.98Å; W254-P452 HydrophobicContact CZ3-CB 4.16Å; W254-V463 HydrophobicContact CB-CG2 3.83Å; W254-V463 HydrophobicContact CG-CG2 4.08Å
255S87.4Confident87.6Confident10 Ų1059.1 Ų59.17%0.0729%0.29CS..  trans-129.2130.4-176.4167.30000111.6T257 Q462S255-T257 VanDerWaalsContact C-N 3.26Å; S255-T257 PolarHBondContact OG-N 2.97Å; S255-T257 PolarHBondContact OG-O 3.46Å; S255-T257 VanDerWaalsContact OG-O 3.14Å; S255-T257 PolarHBondContact OG-OG1 3.03Å; S255-Q462 PolarHBondContact O-OE1 3.4Å
256N75.1Confident87.6Confident85 Ų8556.6 Ų56.646%0.45528%0.281SS..SBendtrans-88.46.3169.1-159.315.1000112.7W254 R459W254-N256 HydrophobicContact CH2-CB 4.36Å; W254-N256 HydrophobicContact CZ3-CB 4.04Å; N256-R459 PolarHBondContact OD1-NH1 2.9Å
257T70.3Confident87.6Confident83 Ų8351.8 Ų51.851%0.50926%0.255SS..SBendtrans-102.5143.1-179.775.40000111.5S255 K259S255-T257 VanDerWaalsContact C-N 3.26Å; S255-T257 PolarHBondContact OG-N 2.97Å; S255-T257 PolarHBondContact OG-O 3.46Å; S255-T257 VanDerWaalsContact OG-O 3.14Å; S255-T257 PolarHBondContact OG-OG1 3.03Å; T257-K259 PolarHBondContact O-N 3.11Å; T257-K259 VanDerWaalsContact O-N 3.09Å
258E64.6Low87.6Confident134 Ų13451.2 Ų51.263%0.62626%0.256SS*.THydrogen-bonded Turntrans-66-10.8-179.6-62.4-177.8172.900113.8R459E258-R459 HydrophobicContact CG-CG 4.35Å; E258-R459 IonicContact OE1-NE 3.77Å
259K59.8Low87.5Confident203 Ų20355 Ų5588%0.88328%0.275SS*.THydrogen-bonded Turntrans-87.4-16.4-174-66.2-174.6179.1-179.20114.1T257T257-K259 PolarHBondContact O-N 3.11Å; T257-K259 VanDerWaalsContact O-N 3.09Å
260Q64.1Low87.4Confident96 Ų9656.7 Ų56.745%0.44929%0.294SS..  trans-128.9110.7-174.3-172170.55.900110.4Q462Q260-Q462 PolarHBondContact O-NE2 3.1Å
261S70.3Confident87.4Confident70 Ų7054.8 Ų54.849%0.4929%0.289SS..  trans-90.3-24.9-178.855.30000113.6Q462S261-Q462 VanDerWaalsContact C-NE2 3.31Å; S261-Q462 PolarHBondContact O-NE2 2.89Å
262S81.6Confident87.3Confident40 Ų4061.6 Ų61.628%0.2831%0.314SS..  trans-84.8145.8-175.560.30000113.6
263V94.2Very high87.2Confident0 Ų062.6 Ų62.60%032%0.32CS..EExtended strand (participates in β ladder)trans-105.8142.9174.7-170.30000108.6V252 F253 W254 A275 V278 Q462V252-V263 HydrophobicContact CG1-CG1 3.56Å; F253-V263 WeakPolarHBondContact O-CA 3.22Å; F253-V263 VanDerWaalsContact O-CG1 3.31Å; F253-V263 WeakPolarHBondContact O-CG1 3.42Å; W254-V263 HydrophobicContact CB-CG1 4.43Å; V263-A275 PolarHBondContact N-O 3.43Å; V263-A275 PolarHBondContact O-N 3.17Å; V263-V278 HydrophobicContact CB-CG2 3.93Å; V263-V278 HydrophobicContact CG1-CB 4.41Å; V263-V278 HydrophobicContact CG1-CG2 3.48Å; V263-V278 VanDerWaalsContact CG1-CG2 3.48Å; V263-Q462 HydrophobicContact CG2-CB 3.58Å; V263-Q462 HydrophobicContact CG2-CG 3.88Å
264I97Very high87.1Confident41 Ų4164.7 Ų64.721%0.2133%0.334CS..EExtended strand (participates in β ladder)trans-113.6125.7173.3-51.9175.7000108.6F253 R272 M273F253-I264 HydrophobicContact CB-CB 4.08Å; F253-I264 HydrophobicContact CD2-CB 4.28Å; F253-I264 HydrophobicContact CD2-CG2 4.44Å; F253-I264 PolarHBondContact N-O 2.9Å; F253-I264 PolarHBondContact O-N 2.81Å; I264-R272 HydrophobicContact CG2-CB 4Å; I264-R272 HydrophobicContact CG2-CG 4.28Å; I264-M273 CarbonylContact C-O 3.48Å; I264-M273 WeakPolarHBondContact CA-O 3.15Å
265V98.3Very high87.2Confident0 Ų064 Ų640%033%0.332CS..EExtended strand (participates in β ladder)trans-102.4122.9172.5-174.10000108.3V18 L44 V249 R272 M273 V278V18-V265 HydrophobicContact CB-CG2 4.24Å; V18-V265 HydrophobicContact CG1-CB 4.47Å; V18-V265 HydrophobicContact CG1-CG1 4.44Å; V18-V265 HydrophobicContact CG1-CG2 4Å; L44-V265 HydrophobicContact CD1-CG1 3.75Å; V249-V265 HydrophobicContact CB-CG1 4.37Å; V249-V265 HydrophobicContact CG1-CG1 3.6Å; V249-V265 HydrophobicContact CG2-CG1 3.81Å; V265-R272 CarbonylContact O-C 3.57Å; V265-R272 WeakPolarHBondContact O-CA 3.48Å; V265-M273 PolarHBondContact N-O 2.9Å; V265-M273 PolarHBondContact O-N 3.32Å; V265-V278 HydrophobicContact CG2-CG1 4.29Å; V265-V278 HydrophobicContact CG2-CG2 3.49Å; V265-V278 VanDerWaalsContact CG2-CG2 3.49Å
266E98.6Very high87.5Confident21 Ų2166 Ų6610%0.09834%0.341CS..EExtended strand (participates in β ladder)trans-110129.7178.2179.5175.8-111.700109.9R250 S251 F253 E271 R272R250-E266 WeakPolarHBondContact CA-O 3.49Å; R250-E266 WeakPolarHBondContact CB-O 3.29Å; R250-E266 PolarHBondContact N-O 2.88Å; S251-E266 PolarHBondContact N-O 2.78Å; S251-E266 VanDerWaalsContact N-O 3.13Å; S251-E266 PolarHBondContact O-N 2.84Å; F253-E266 HydrophobicContact CD2-CB 4.41Å; F253-E266 HydrophobicContact CE2-CB 3.72Å; F253-E266 HydrophobicContact CE2-CG 4.49Å; E266-E271 CarbonylContact C-O 3.57Å; E266-E271 WeakPolarHBondContact CA-O 3.3Å; E266-R272 HydrophobicContact CB-CG 4.12Å; E266-R272 HydrophobicContact CG-CG 4.1Å; E266-R272 IonicContact OE1-CZ 2.87Å; E266-R272 IonicContact OE1-NE 2.71Å; E266-R272 PolarHBondContact OE1-NE 2.96Å; E266-R272 IonicContact OE1-NH2 3.18Å; E266-R272 PolarHBondContact OE1-NH2 2.84Å
267C98.4Very high88.5Confident1 Ų162 Ų621%0.00732%0.32CS..EExtended strand (participates in β ladder)trans-90.3166.2175-60.70000111.6P248 D269 G270 E271P248-C267 CarbonylContact O-C 3.6Å; P248-C267 VanDerWaalsContact O-CA 3.3Å; P248-C267 WeakPolarHBondContact O-CA 3.2Å; C267-D269 VanDerWaalsContact CB-OD1 3.31Å; C267-D269 WeakPolarHBondContact CB-OD1 3.36Å; C267-D269 PolarHBondContact O-N 3.04Å; C267-G270 PolarHBondContact O-N 2.91Å; C267-E271 HydrophobicContact CB-CB 4.47Å; C267-E271 PolarHBondContact N-O 3.38Å
268E97.8Very high89.8Confident71 Ų7158.1 Ų58.133%0.33230%0.296SS..THydrogen-bonded Turntrans-61.4-29.3179.6-71.5-65.2151.200113.9P248 R250 G270 R293P248-E268 HydrophobicContact CB-CG 3.94Å; P248-E268 HydrophobicContact CG-CB 3.89Å; P248-E268 HydrophobicContact CG-CG 3.7Å; P248-E268 PolarHBondContact O-N 2.98Å; R250-E268 HydrophobicContact CB-CG 4.35Å; R250-E268 WeakPolarHBondContact CB-OE1 3.44Å; E268-G270 PolarHBondContact O-N 3.33Å; E268-R293 IonicContact OE1-CZ 3.74Å; E268-R293 IonicContact OE1-NE 3.56Å; E268-R293 IonicContact OE1-NH1 3.7Å; E268-R293 IonicContact OE1-NH2 3.46Å; E268-R293 PolarHBondContact OE1-NH2 2.98Å; E268-R293 IonicContact OE2-CZ 2.71Å; E268-R293 IonicContact OE2-NH2 3.6Å; E268-R293 PolarHBondContact OE2-NH2 3.17Å
269D96.3Very high91.5Very high105 Ų10551.7 Ų51.756%0.56127%0.266SS*.THydrogen-bonded Turntrans-76-4.7175.663.44000113.7C267 E271C267-D269 VanDerWaalsContact CB-OD1 3.31Å; C267-D269 WeakPolarHBondContact CB-OD1 3.36Å; C267-D269 PolarHBondContact O-N 3.04Å; D269-E271 WeakPolarHBondContact OD1-CB 3.46Å; D269-E271 PolarHBondContact OD1-N 3.47Å
270G96.5Very high93.3Very high43 Ų4342.2 Ų42.244%0.44323%0.225SC..  trans88.90.1-178.100000114.7C267 E268 R272C267-G270 PolarHBondContact O-N 2.91Å; E268-G270 PolarHBondContact O-N 3.33Å; G270-R272 PolarHBondContact O-N 3.42Å
271E97.2Very high95Very high65 Ų6538.2 Ų38.230%0.30421%0.207SC..  trans-60.5134.8171.6-171.5-17717100109.8R244 E266 C267 D269R244-E271 IonicContact NH1-OE1 3.92Å; R244-E271 PolarHBondContact NH1-OE1 3.02Å; E266-E271 CarbonylContact C-O 3.57Å; E266-E271 WeakPolarHBondContact CA-O 3.3Å; C267-E271 HydrophobicContact CB-CB 4.47Å; C267-E271 PolarHBondContact N-O 3.38Å; D269-E271 WeakPolarHBondContact OD1-CB 3.46Å; D269-E271 PolarHBondContact OD1-N 3.47Å
272R97Very high96.3Very high147 Ų14736.1 Ų36.156%0.55519%0.191SC*.EExtended strand (participates in β ladder)trans-121.4131.2178.8-69.4-177.7176.1-163.9-1.7111.2I264 V265 E266 G270I264-R272 HydrophobicContact CG2-CB 4Å; I264-R272 HydrophobicContact CG2-CG 4.28Å; V265-R272 CarbonylContact O-C 3.57Å; V265-R272 WeakPolarHBondContact O-CA 3.48Å; E266-R272 HydrophobicContact CB-CG 4.12Å; E266-R272 HydrophobicContact CG-CG 4.1Å; E266-R272 IonicContact OE1-CZ 2.87Å; E266-R272 IonicContact OE1-NE 2.71Å; E266-R272 PolarHBondContact OE1-NE 2.96Å; E266-R272 IonicContact OE1-NH2 3.18Å; E266-R272 PolarHBondContact OE1-NH2 2.84Å; G270-R272 PolarHBondContact O-N 3.42Å
273M95.6Very high97.1Very high22 Ų2235.2 Ų35.211%0.10819%0.185CC..EExtended strand (participates in β ladder)trans-119128.3179.1-61.8177.969.500110.2V18 H42 L44 I264 V265V18-M273 HydrophobicContact CG2-CE 4.34Å; H42-M273 HydrophobicContact CB-CE 4.34Å; L44-M273 HydrophobicContact CD1-SD 3.95Å; L44-M273 HydrophobicContact CD2-SD 3.8Å; L44-M273 HydrophobicContact CG-SD 4.39Å; I264-M273 CarbonylContact C-O 3.48Å; I264-M273 WeakPolarHBondContact CA-O 3.15Å; V265-M273 PolarHBondContact N-O 2.9Å; V265-M273 PolarHBondContact O-N 3.32Å
274N95.1Very high97.3Very high106 Ų10635.4 Ų35.457%0.56719%0.185SC*.EExtended strand (participates in β ladder)trans-82.9130.4170.3-68.1-60000109.6
275A95.5Very high97.4Very high2 Ų233.7 Ų33.72%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-129.8150.8176.300000110.4V18 V263 V278V18-A275 HydrophobicContact CB-CB 4.2Å; V18-A275 HydrophobicContact CG2-CB 3.79Å; V263-A275 PolarHBondContact N-O 3.43Å; V263-A275 PolarHBondContact O-N 3.17Å; A275-V278 HydrophobicContact CB-CG2 4.11Å
276D93.8Very high97.4Very high50 Ų5034.8 Ų34.827%0.26718%0.182SC..SBendtrans-78.1-38.5165.7-63-62.5000110V15 N16V15-D276 WeakPolarHBondContact CA-OD2 3.3Å; V15-D276 HydrophobicContact CB-CB 4.4Å; N16-D276 PolarHBondContact N-OD2 2.92Å; N16-D276 PolarHBondContact O-N 3.09Å
277H96.3Very high97.4Very high3 Ų334 Ų341%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-137.1146.9179.6-56.3-80.6000111.5N16 I17 V18 L461 Q462 L464 L492 Y496N16-H277 PolarHBondContact O-N 3.07Å; I17-H277 WeakPolarHBondContact CA-O 3.4Å; I17-H277 HydrophobicContact CG1-CB 4.4Å; V18-H277 PolarHBondContact N-O 2.83Å; H277-L461 PolarHBondContact CE1-O 3.08Å; H277-L461 PolarHBondContact ND1-O 2.98Å; H277-Q462 CarbonylContact C-O 3.56Å; H277-Q462 WeakPolarHBondContact CA-O 3.43Å; H277-L464 HydrophobicContact CB-CD1 4.27Å; H277-L492 HydrophobicContact CB-CD1 3.93Å; H277-L492 HydrophobicContact CB-CD2 4.05Å; H277-L492 WeakPolarHBondContact ND1-CD2 3.43Å; H277-Y496 AromaticContact CD2-CE2 3.95Å; H277-Y496 AromaticContact NE2-CE2 3.38Å; H277-Y496 WeakPolarHBondContact NE2-CE2 3.48Å; H277-Y496 AromaticContact NE2-CZ 3.49Å; H277-Y496 PolarHBondContact NE2-OH 3.08Å
278V98.4Very high97.3Very high0 Ų036.5 Ų36.50%019%0.189CC..EExtended strand (participates in β ladder)trans-122.7125.6171.2-1780000109.7V18 V20 V252 V263 V265 A275 V280 Q462 V463 L464V18-V278 HydrophobicContact CB-CG2 4.42Å; V18-V278 CarbonylContact O-C 3.56Å; V18-V278 WeakPolarHBondContact O-CA 3.42Å; V20-V278 HydrophobicContact CG2-CG1 3.84Å; V252-V278 HydrophobicContact CG1-CB 4.45Å; V252-V278 HydrophobicContact CG1-CG1 4.39Å; V252-V278 HydrophobicContact CG1-CG2 4.33Å; V252-V278 HydrophobicContact CG2-CG1 4.42Å; V263-V278 HydrophobicContact CB-CG2 3.93Å; V263-V278 HydrophobicContact CG1-CB 4.41Å; V263-V278 HydrophobicContact CG1-CG2 3.48Å; V263-V278 VanDerWaalsContact CG1-CG2 3.48Å; V265-V278 HydrophobicContact CG2-CG1 4.29Å; V265-V278 HydrophobicContact CG2-CG2 3.49Å; V265-V278 VanDerWaalsContact CG2-CG2 3.49Å; A275-V278 HydrophobicContact CB-CG2 4.11Å; V278-V280 HydrophobicContact CG1-CG2 3.97Å; V278-Q462 PolarHBondContact N-O 3.36Å; V278-V463 CarbonylContact O-C 3.5Å; V278-V463 WeakPolarHBondContact O-CA 3.45Å; V278-L464 PolarHBondContact O-N 2.91Å
279I98.8Very high97.3Very high0 Ų040.9 Ų40.90%020%0.203CC..EExtended strand (participates in β ladder)trans-100.3114.3168.8-52.3179.7000107.9I17 V18 I19 V20 A29 L33 T281 L464 A466 E488 L492I17-I279 HydrophobicContact CG2-CD1 4.46Å; I17-I279 HydrophobicContact CG2-CG1 4.47Å; V18-I279 PolarHBondContact O-N 3.47Å; I19-I279 CarbonylContact C-O 3.42Å; I19-I279 WeakPolarHBondContact CA-O 3.48Å; I19-I279 HydrophobicContact CG1-CB 4.18Å; I19-I279 HydrophobicContact CG1-CD1 4.31Å; I19-I279 HydrophobicContact CG1-CG1 4.47Å; V20-I279 PolarHBondContact N-O 2.66Å; A29-I279 HydrophobicContact CB-CD1 4.01Å; L33-I279 HydrophobicContact CD1-CD1 4.05Å; I279-T281 HydrophobicContact CG2-CG2 4.03Å; I279-L464 HydrophobicContact CG1-CB 4.22Å; I279-A466 HydrophobicContact CG2-CB 4.14Å; I279-E488 HydrophobicContact CD1-CB 4.39Å; I279-E488 HydrophobicContact CG2-CB 4.2Å; I279-L492 HydrophobicContact CD1-CD1 4.06Å; I279-L492 HydrophobicContact CG1-CD1 4.28Å
280V98.9Very high97.4Very high3 Ų338 Ų382%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-93122.7179-179.90000109.3V278 V282 F295 V463 L464 F465 A466V278-V280 HydrophobicContact CG1-CG2 3.97Å; V280-V282 HydrophobicContact CG1-CB 4.42Å; V280-V282 HydrophobicContact CG1-CG1 4.15Å; V280-V282 HydrophobicContact CG1-CG2 3.76Å; V280-F295 HydrophobicContact CG1-CZ 4.25Å; V280-F295 HydrophobicContact CG2-CE1 4.13Å; V280-F295 HydrophobicContact CG2-CZ 4.22Å; V280-V463 HydrophobicContact CG2-CG1 3.74Å; V280-L464 PolarHBondContact N-O 3.41Å; V280-F465 HydrophobicContact CB-CD1 4.25Å; V280-F465 HydrophobicContact CB-CE1 4.42Å; V280-A466 PolarHBondContact O-N 3.27Å
281T98.8Very high97.5Very high13 Ų1337.3 Ų37.38%0.0817%0.171CC..  trans-121.816.4-179.776.60000113.8I19 V20 G21 A25 I279 A466I19-T281 HydrophobicContact CG2-CG2 4.19Å; V20-T281 WeakPolarHBondContact O-CA 3.38Å; V20-T281 PolarHBondContact O-N 2.67Å; V20-T281 PolarHBondContact O-OG1 2.76Å; G21-T281 PolarHBondContact O-OG1 3.13Å; A25-T281 HydrophobicContact CB-CG2 4.27Å; I279-T281 HydrophobicContact CG2-CG2 4.03Å; T281-A466 WeakPolarHBondContact CA-O 3.43Å; T281-A466 HydrophobicContact CG2-CB 4.07Å
282V98.4Very high97.4Very high26 Ų2638.4 Ų38.416%0.15818%0.182CC..  trans-61.6144.3-179.7-560000111.1V20 V280 Y286 L287 L294V20-V282 HydrophobicContact CG1-CG1 3.86Å; V280-V282 HydrophobicContact CG1-CB 4.42Å; V280-V282 HydrophobicContact CG1-CG1 4.15Å; V280-V282 HydrophobicContact CG1-CG2 3.76Å; V282-Y286 HydrophobicContact CB-CD1 3.95Å; V282-Y286 HydrophobicContact CG1-CD1 4.24Å; V282-Y286 HydrophobicContact CG2-CD1 4.12Å; V282-L287 HydrophobicContact CG2-CB 4.25Å; V282-L294 HydrophobicContact CG1-CD2 4.47Å; V282-L294 HydrophobicContact CG2-CD2 4.03Å
283P98.6Very high97.4Very high21 Ų2136.1 Ų36.114%0.13617%0.174CC..  trans-57.4150.9176-27.638.5000112.7G285 Y286 L287 F312 T428P283-G285 VanDerWaalsContact C-N 3.3Å; P283-G285 PolarHBondContact O-N 3.19Å; P283-Y286 WeakPolarHBondContact O-CB 3.26Å; P283-Y286 PolarHBondContact O-N 2.96Å; P283-L287 PolarHBondContact O-N 2.94Å; P283-F312 HydrophobicContact CB-CZ 4.15Å; P283-T428 HydrophobicContact CG-CG2 4.25Å
284L98.6Very high97.6Very high3 Ų335.2 Ų35.22%0.01617%0.169CC..Hα-helixtrans-62.2-36.1179.5172.765.7000112L287 K288 I307 L310 F312 M447 A469L284-L287 HydrophobicContact CD1-CD2 4.47Å; L284-L287 WeakPolarHBondContact O-CB 3.47Å; L284-L287 PolarHBondContact O-N 3.02Å; L284-K288 HydrophobicContact CD1-CG 4.18Å; L284-K288 HydrophobicContact CG-CD 4.32Å; L284-K288 HydrophobicContact CG-CG 4.37Å; L284-K288 WeakPolarHBondContact O-CB 3.37Å; L284-K288 WeakPolarHBondContact O-CG 3.44Å; L284-K288 PolarHBondContact O-N 3.45Å; L284-I307 HydrophobicContact CD1-CG2 4.2Å; L284-L310 HydrophobicContact CD2-CB 3.57Å; L284-L310 HydrophobicContact CD2-CD2 3.97Å; L284-L310 HydrophobicContact CD2-CG 4.45Å; L284-F312 HydrophobicContact CB-CD2 3.58Å; L284-F312 HydrophobicContact CB-CE2 3.9Å; L284-F312 HydrophobicContact CB-CG 4.22Å; L284-F312 HydrophobicContact CD2-CB 4.06Å; L284-F312 HydrophobicContact CD2-CD2 4.04Å; L284-F312 HydrophobicContact CD2-CG 4.46Å; L284-F312 HydrophobicContact CG-CB 4.17Å; L284-F312 HydrophobicContact CG-CD2 4.03Å; L284-F312 HydrophobicContact CG-CG 4.32Å; L284-M447 HydrophobicContact CD1-CE 3.92Å; L284-A469 HydrophobicContact CB-CB 3.77Å; L284-A469 HydrophobicContact CD2-CB 4.06Å; L284-A469 HydrophobicContact CG-CB 4.43Å
285G98.3Very high97.7Very high5 Ų530.2 Ų30.25%0.05214%0.142CC..Hα-helixtrans-58.1-48.3173.400000112.7P283 L287 K288 R289 F312P283-G285 VanDerWaalsContact C-N 3.3Å; P283-G285 PolarHBondContact O-N 3.19Å; G285-L287 VanDerWaalsContact C-N 3.32Å; G285-L287 PolarHBondContact O-N 3.21Å; G285-K288 PolarHBondContact O-N 3.14Å; G285-R289 PolarHBondContact O-N 2.7Å; G285-R289 VanDerWaalsContact O-N 3.14Å; G285-F312 VanDerWaalsContact N-CD1 3.27Å; G285-F312 VanDerWaalsContact N-CE1 3.28Å
286Y98.3Very high97.7Very high23 Ų2336 Ų369%0.0916%0.164CC..Hα-helixtrans-59.1-44.2173.4-171.2-91.6000111.6V282 P283 R289 H290 L294 P426 W427 T428 N429V282-Y286 HydrophobicContact CB-CD1 3.95Å; V282-Y286 HydrophobicContact CG1-CD1 4.24Å; V282-Y286 HydrophobicContact CG2-CD1 4.12Å; P283-Y286 WeakPolarHBondContact O-CB 3.26Å; P283-Y286 PolarHBondContact O-N 2.96Å; Y286-R289 PolarHBondContact O-N 2.77Å; Y286-H290 HydrophobicContact CD1-CB 4.24Å; Y286-H290 AromaticContact CD2-CD2 3.44Å; Y286-H290 VanDerWaalsContact CD2-CD2 3.44Å; Y286-H290 WeakPolarHBondContact CD2-CD2 3.46Å; Y286-H290 HydrophobicContact CE1-CB 3.92Å; Y286-H290 AromaticContact CE2-CD2 3.39Å; Y286-H290 WeakPolarHBondContact CE2-CD2 3.41Å; Y286-H290 AromaticContact CE2-NE2 3.89Å; Y286-H290 AromaticContact CG-CD2 3.84Å; Y286-H290 AromaticContact CZ-CD2 3.75Å; Y286-H290 AromaticContact CZ-CG 3.99Å; Y286-H290 VanDerWaalsContact O-CB 3.31Å; Y286-H290 WeakPolarHBondContact O-CB 3.21Å; Y286-H290 PolarHBondContact O-CD2 2.84Å; Y286-H290 PolarHBondContact O-N 2.99Å; Y286-L294 HydrophobicContact CE1-CD2 4.35Å; Y286-P426 WeakPolarHBondContact CD2-O 3.2Å; Y286-P426 WeakPolarHBondContact CE2-O 3.22Å; Y286-W427 AromaticContact CE2-CE3 3.94Å; Y286-W427 HydrophobicContact CE2-CE3 3.94Å; Y286-W427 HydrophobicContact CE2-CZ3 4.28Å; Y286-T428 PolarHBondContact N-O 3.44Å; Y286-N429 WeakPolarHBondContact CA-OD1 3.48Å
287L98.1Very high97.8Very high6 Ų636.3 Ų36.33%0.03117%0.169CC..Hα-helixtrans-62-46178.4-174.960.1000112.1V282 P283 L284 G285 R289 H290 H291 L294 F295 I307 M447V282-L287 HydrophobicContact CG2-CB 4.25Å; P283-L287 PolarHBondContact O-N 2.94Å; L284-L287 HydrophobicContact CD1-CD2 4.47Å; L284-L287 WeakPolarHBondContact O-CB 3.47Å; L284-L287 PolarHBondContact O-N 3.02Å; G285-L287 VanDerWaalsContact C-N 3.32Å; G285-L287 PolarHBondContact O-N 3.21Å; L287-R289 PolarHBondContact O-N 2.97Å; L287-H290 PolarHBondContact O-N 3.09Å; L287-H291 HydrophobicContact CD1-CB 3.9Å; L287-H291 WeakPolarHBondContact O-CB 3.41Å; L287-H291 PolarHBondContact O-CD2 2.53Å; L287-H291 PolarHBondContact O-N 3.04Å; L287-L294 HydrophobicContact CD1-CD2 4.43Å; L287-F295 HydrophobicContact CD1-CD2 4.49Å; L287-F295 HydrophobicContact CD1-CE2 3.57Å; L287-F295 HydrophobicContact CD1-CZ 4.36Å; L287-I307 HydrophobicContact CD1-CD1 4.23Å; L287-I307 HydrophobicContact CD2-CD1 3.65Å; L287-I307 HydrophobicContact CD2-CG1 3.73Å; L287-I307 HydrophobicContact CG-CD1 3.82Å; L287-I307 HydrophobicContact CG-CG1 4.15Å; L287-I307 HydrophobicContact CG-CG2 4.17Å; L287-M447 HydrophobicContact CD2-CE 3.95Å
288K98.3Very high97.8Very high52 Ų5240.3 Ų40.323%0.22620%0.195CC..Hα-helixtrans-55.3-40.8175.5-78.1173.3173.5-70.20111.7L284 G285 H291 I307 Q308 L310 F312L284-K288 HydrophobicContact CD1-CG 4.18Å; L284-K288 HydrophobicContact CG-CD 4.32Å; L284-K288 HydrophobicContact CG-CG 4.37Å; L284-K288 WeakPolarHBondContact O-CB 3.37Å; L284-K288 WeakPolarHBondContact O-CG 3.44Å; L284-K288 PolarHBondContact O-N 3.45Å; G285-K288 PolarHBondContact O-N 3.14Å; K288-H291 PolarHBondContact O-CD2 2.85Å; K288-I307 HydrophobicContact CB-CG2 4.46Å; K288-I307 VanDerWaalsContact CE-O 3.28Å; K288-I307 WeakPolarHBondContact CE-O 3.11Å; K288-I307 HydrophobicContact CG-CG2 3.82Å; K288-I307 WeakPolarHBondContact CG-O 3.34Å; K288-I307 PolarHBondContact NZ-O 2.61Å; K288-Q308 PolarHBondContact NZ-O 2.94Å; K288-L310 WeakPolarHBondContact CE-O 3.3Å; K288-L310 PolarHBondContact NZ-O 3.13Å; K288-F312 HydrophobicContact CD-CB 4.08Å
289R97.6Very high97.6Very high164 Ų16440.6 Ų40.662%0.61920%0.196SC*.Hα-helixtrans-80.6-32.5-178.1-168.3172.1-175.1165.32.4113.6G285 Y286 L287 N429G285-R289 PolarHBondContact O-N 2.7Å; G285-R289 VanDerWaalsContact O-N 3.14Å; Y286-R289 PolarHBondContact O-N 2.77Å; L287-R289 PolarHBondContact O-N 2.97Å; R289-N429 PolarHBondContact NH1-ND2 3.3Å
290H97.8Very high97.5Very high45 Ų4542 Ų4221%0.20821%0.205CC..Hα-helixtrans-121.4-0.3-165.2-61.2-69.3000115.5Y286 L287 T292 R293 L294Y286-H290 HydrophobicContact CD1-CB 4.24Å; Y286-H290 AromaticContact CD2-CD2 3.44Å; Y286-H290 VanDerWaalsContact CD2-CD2 3.44Å; Y286-H290 WeakPolarHBondContact CD2-CD2 3.46Å; Y286-H290 HydrophobicContact CE1-CB 3.92Å; Y286-H290 AromaticContact CE2-CD2 3.39Å; Y286-H290 WeakPolarHBondContact CE2-CD2 3.41Å; Y286-H290 AromaticContact CE2-NE2 3.89Å; Y286-H290 AromaticContact CG-CD2 3.84Å; Y286-H290 AromaticContact CZ-CD2 3.75Å; Y286-H290 AromaticContact CZ-CG 3.99Å; Y286-H290 VanDerWaalsContact O-CB 3.31Å; Y286-H290 WeakPolarHBondContact O-CB 3.21Å; Y286-H290 PolarHBondContact O-CD2 2.84Å; Y286-H290 PolarHBondContact O-N 2.99Å; L287-H290 PolarHBondContact O-N 3.09Å; H290-T292 PolarHBondContact O-N 2.92Å; H290-R293 PolarHBondContact O-N 2.88Å; H290-L294 WeakPolarHBondContact O-CB 3.42Å; H290-L294 PolarHBondContact O-N 3.43Å
291H97.3Very high97.3Very high28 Ų2847.8 Ų47.813%0.1324%0.236CC..Hα-helixtrans-54.1-33.8-175.76886.8000114.4L287 K288 R293 F295 L299 L304L287-H291 HydrophobicContact CD1-CB 3.9Å; L287-H291 WeakPolarHBondContact O-CB 3.41Å; L287-H291 PolarHBondContact O-CD2 2.53Å; L287-H291 PolarHBondContact O-N 3.04Å; K288-H291 PolarHBondContact O-CD2 2.85Å; H291-R293 VanDerWaalsContact C-N 3.31Å; H291-R293 PolarHBondContact O-N 3.04Å; H291-F295 PolarHBondContact O-N 3.12Å; H291-L299 HydrophobicContact CB-CD1 4.31Å; H291-L304 WeakPolarHBondContact ND1-CD2 3.39Å
292T96.7Very high97.2Very high87 Ų8750.4 Ų50.453%0.53425%0.247SC..Hα-helixtrans-68.7-29.6179.6550000113.2H290H290-T292 PolarHBondContact O-N 2.92Å
293R97.1Very high97.2Very high100 Ų10049.2 Ų49.238%0.37724%0.239SC..Hα-helixtrans-88.9-39.8175.8-178.9-179.8172.7164.54.3111S251 E268 H290 H291 F295S251-R293 PolarHBondContact OG-O 3.18Å; E268-R293 IonicContact OE1-CZ 3.74Å; E268-R293 IonicContact OE1-NE 3.56Å; E268-R293 IonicContact OE1-NH1 3.7Å; E268-R293 IonicContact OE1-NH2 3.46Å; E268-R293 PolarHBondContact OE1-NH2 2.98Å; E268-R293 IonicContact OE2-CZ 2.71Å; E268-R293 IonicContact OE2-NH2 3.6Å; E268-R293 PolarHBondContact OE2-NH2 3.17Å; H290-R293 PolarHBondContact O-N 2.88Å; H291-R293 VanDerWaalsContact C-N 3.31Å; H291-R293 PolarHBondContact O-N 3.04Å; R293-F295 PolarHBondContact O-N 2.89Å
294L98.3Very high97.1Very high3 Ų349.6 Ų49.62%0.01624%0.24CC..Hα-helixtrans-69.7-28.9-172.9-175.158.7000113.3V249 S251 V252 V282 Y286 L287 H290V249-L294 HydrophobicContact CG1-CD1 4.06Å; S251-L294 CarbonylContact C-O 3.54Å; S251-L294 WeakPolarHBondContact CA-O 3.35Å; V252-L294 HydrophobicContact CG2-CD1 4.39Å; V252-L294 PolarHBondContact N-O 3.34Å; V282-L294 HydrophobicContact CG1-CD2 4.47Å; V282-L294 HydrophobicContact CG2-CD2 4.03Å; Y286-L294 HydrophobicContact CE1-CD2 4.35Å; L287-L294 HydrophobicContact CD1-CD2 4.43Å; H290-L294 WeakPolarHBondContact O-CB 3.42Å; H290-L294 PolarHBondContact O-N 3.43Å
295F98.3Very high97Very high0 Ų054.5 Ų54.50%026%0.263CS..EExtended strand (participates in β ladder)trans-119.3131.5-177.5-62-80.1000113.1V252 V280 L287 H291 R293 P297 L299 V463 F465V252-F295 HydrophobicContact CB-CD1 4.26Å; V252-F295 HydrophobicContact CB-CE1 4.45Å; V280-F295 HydrophobicContact CG1-CZ 4.25Å; V280-F295 HydrophobicContact CG2-CE1 4.13Å; V280-F295 HydrophobicContact CG2-CZ 4.22Å; L287-F295 HydrophobicContact CD1-CD2 4.49Å; L287-F295 HydrophobicContact CD1-CE2 3.57Å; L287-F295 HydrophobicContact CD1-CZ 4.36Å; H291-F295 PolarHBondContact O-N 3.12Å; R293-F295 PolarHBondContact O-N 2.89Å; F295-P297 CarbonylContact C-O 3.57Å; F295-P297 VanDerWaalsContact C-O 3.25Å; F295-P297 CarbonylContact O-C 3.59Å; F295-L299 HydrophobicContact CB-CD2 4.03Å; F295-L299 HydrophobicContact CB-CG 4.09Å; F295-L299 HydrophobicContact CD1-CD2 3.74Å; F295-L299 HydrophobicContact CD2-CD1 3.71Å; F295-L299 HydrophobicContact CD2-CD2 3.71Å; F295-L299 HydrophobicContact CD2-CG 3.65Å; F295-L299 HydrophobicContact CE1-CD2 4.11Å; F295-L299 HydrophobicContact CE2-CD1 3.87Å; F295-L299 HydrophobicContact CE2-CD2 4.08Å; F295-L299 HydrophobicContact CE2-CG 4.22Å; F295-L299 HydrophobicContact CG-CD1 4.37Å; F295-L299 HydrophobicContact CG-CD2 3.52Å; F295-L299 HydrophobicContact CG-CG 3.82Å; F295-L299 HydrophobicContact CZ-CD2 4.26Å; F295-V463 HydrophobicContact CE1-CG1 3.99Å; F295-F465 HydrophobicContact CE1-CE1 4.2Å; F295-F465 HydrophobicContact CE1-CZ 4.18Å; F295-F465 AromaticContact CZ-CE1 3.73Å; F295-F465 HydrophobicContact CZ-CE1 3.73Å; F295-F465 HydrophobicContact CZ-CZ 4.13Å
296R95.7Very high97Very high123 Ų12354.3 Ų54.346%0.46426%0.261SS..EExtended strand (participates in β ladder)trans-132.9115175.5-62.4-65.6-178.4170.4-2109.3V252 F253 W254V252-R296 PolarHBondContact O-N 3.28Å; F253-R296 CarbonylContact C-O 3.46Å; F253-R296 WeakPolarHBondContact CA-O 3.5Å; F253-R296 HydrophobicContact CD1-CB 3.52Å; F253-R296 HydrophobicContact CD1-CG 4.06Å; F253-R296 HydrophobicContact CE1-CB 3.84Å; F253-R296 HydrophobicContact CE1-CG 3.85Å; F253-R296 HydrophobicContact CG-CB 4.21Å; F253-R296 HydrophobicContact CZ-CG 4.45Å; W254-R296 PolarHBondContact N-O 2.97Å
297P94.8Very high97Very high58 Ų5853.2 Ų53.238%0.37726%0.256SS..SBendcis-63.7170.7-5.931.3-36.4000112.3W254 F295W254-P297 HydrophobicContact CD2-CG 4.41Å; W254-P297 HydrophobicContact CZ2-CG 3.94Å; W254-P297 PolarHBondContact NE1-O 2.87Å; W254-P297 WeakPolarHBondContact O-CD 3.25Å; F295-P297 CarbonylContact C-O 3.57Å; F295-P297 VanDerWaalsContact C-O 3.25Å; F295-P297 CarbonylContact O-C 3.59Å
298P96Very high96.9Very high86 Ų8658 Ų5856%0.55828%0.279SS*.PPolyproline II helixtrans-55.3152.9175.4-25.335.2000112.9
299L96.1Very high96.8Very high6 Ų661.6 Ų61.63%0.03129%0.291CS..PPolyproline II helixtrans-59.9151.9174.3-60.3175000111.3H291 F295 K303 L304 I307 L451 F465H291-L299 HydrophobicContact CB-CD1 4.31Å; F295-L299 HydrophobicContact CB-CD2 4.03Å; F295-L299 HydrophobicContact CB-CG 4.09Å; F295-L299 HydrophobicContact CD1-CD2 3.74Å; F295-L299 HydrophobicContact CD2-CD1 3.71Å; F295-L299 HydrophobicContact CD2-CD2 3.71Å; F295-L299 HydrophobicContact CD2-CG 3.65Å; F295-L299 HydrophobicContact CE1-CD2 4.11Å; F295-L299 HydrophobicContact CE2-CD1 3.87Å; F295-L299 HydrophobicContact CE2-CD2 4.08Å; F295-L299 HydrophobicContact CE2-CG 4.22Å; F295-L299 HydrophobicContact CG-CD1 4.37Å; F295-L299 HydrophobicContact CG-CD2 3.52Å; F295-L299 HydrophobicContact CG-CG 3.82Å; F295-L299 HydrophobicContact CZ-CD2 4.26Å; L299-K303 HydrophobicContact CD1-CD 4.18Å; L299-K303 HydrophobicContact CD1-CG 4.49Å; L299-K303 HydrophobicContact CD2-CD 4.18Å; L299-L304 HydrophobicContact CB-CD2 3.77Å; L299-L304 HydrophobicContact CB-CG 3.95Å; L299-L304 HydrophobicContact CD1-CD2 4.05Å; L299-L304 HydrophobicContact CG-CD2 4.36Å; L299-L304 WeakPolarHBondContact O-CD1 3.5Å; L299-I307 HydrophobicContact CD1-CD1 3.5Å; L299-L451 HydrophobicContact CD2-CD1 3.47Å; L299-L451 VanDerWaalsContact CD2-CD1 3.47Å; L299-F465 HydrophobicContact CD2-CZ 4.01Å
300P95.1Very high96.8Very high29 Ų2953.9 Ų53.919%0.18826%0.262CS..PPolyproline II helixtrans-54.4146.6171.6-26.636000113.1H302 K303 L304 L451 P453P300-H302 VanDerWaalsContact C-N 3.3Å; P300-H302 WeakPolarHBondContact CB-CE1 3.37Å; P300-H302 WeakPolarHBondContact CB-ND1 3.27Å; P300-H302 PolarHBondContact O-N 3.41Å; P300-K303 PolarHBondContact O-N 3.29Å; P300-K303 VanDerWaalsContact O-N 3.15Å; P300-L304 PolarHBondContact O-N 2.86Å; P300-L451 HydrophobicContact CG-CD2 3.7Å; P300-P453 HydrophobicContact CG-CG 4.06Å
301L96.1Very high96.8Very high126 Ų12651.9 Ų51.966%0.6625%0.254SS*.Hα-helixtrans-57.7-38.4-174.1-69.9178.3000113.5L304 H305L301-L304 HydrophobicContact CD2-CD1 4.42Å; L301-L304 PolarHBondContact O-N 3.27Å; L301-H305 VanDerWaalsContact O-CG 3.26Å; L301-H305 PolarHBondContact O-N 3.36Å
302H96.1Very high96.8Very high67 Ų6751.9 Ų51.931%0.3125%0.253SS..Hα-helixtrans-64.8-43179.163.2-75000111.9P300 L304 H305 S306 E449P300-H302 VanDerWaalsContact C-N 3.3Å; P300-H302 WeakPolarHBondContact CB-CE1 3.37Å; P300-H302 WeakPolarHBondContact CB-ND1 3.27Å; P300-H302 PolarHBondContact O-N 3.41Å; H302-L304 VanDerWaalsContact C-N 3.34Å; H302-L304 PolarHBondContact O-N 3.43Å; H302-H305 PolarHBondContact O-N 3.45Å; H302-S306 PolarHBondContact O-N 2.88Å; H302-S306 PolarHBondContact O-OG 3.22Å; H302-S306 VanDerWaalsContact O-OG 3.08Å; H302-E449 IonicContact CD2-OE2 3.67Å; H302-E449 IonicContact CE1-OE2 2.7Å; H302-E449 IonicContact NE2-OE2 2.78Å; H302-E449 PolarHBondContact NE2-OE2 2.72Å
303K97.4Very high96.8Very high1 Ų148.1 Ų48.10%0.00423%0.232CC..Hα-helixtrans-64.4-39.1174.1-174179.2-75.2-79.10111.3L299 P300 S306 I307 N446 M447 E449 F465L299-K303 HydrophobicContact CD1-CD 4.18Å; L299-K303 HydrophobicContact CD1-CG 4.49Å; L299-K303 HydrophobicContact CD2-CD 4.18Å; P300-K303 PolarHBondContact O-N 3.29Å; P300-K303 VanDerWaalsContact O-N 3.15Å; K303-S306 PolarHBondContact O-N 2.99Å; K303-I307 HydrophobicContact CG-CD1 4.22Å; K303-I307 VanDerWaalsContact O-CG1 3.27Å; K303-I307 WeakPolarHBondContact O-CG1 3.47Å; K303-I307 PolarHBondContact O-N 2.91Å; K303-N446 VanDerWaalsContact CE-O 3.29Å; K303-N446 WeakPolarHBondContact CE-O 3.47Å; K303-N446 PolarHBondContact NZ-O 2.97Å; K303-M447 PolarHBondContact NZ-O 3.15Å; K303-E449 VanDerWaalsContact CE-O 3.26Å; K303-E449 WeakPolarHBondContact CE-O 3.29Å; K303-E449 PolarHBondContact NZ-O 3.4Å; K303-F465 HydrophobicContact CD-CE2 4.07Å; K303-F465 HydrophobicContact CD-CZ 3.96Å
304L97Very high96.8Very high29 Ų2943.4 Ų43.415%0.15221%0.214CC..Hα-helixtrans-62.5-44.1174.8-69.8179.5000112.5H291 L299 P300 L301 H302 S306 I307 Q308H291-L304 WeakPolarHBondContact ND1-CD2 3.39Å; L299-L304 HydrophobicContact CB-CD2 3.77Å; L299-L304 HydrophobicContact CB-CG 3.95Å; L299-L304 HydrophobicContact CD1-CD2 4.05Å; L299-L304 HydrophobicContact CG-CD2 4.36Å; L299-L304 WeakPolarHBondContact O-CD1 3.5Å; P300-L304 PolarHBondContact O-N 2.86Å; L301-L304 HydrophobicContact CD2-CD1 4.42Å; L301-L304 PolarHBondContact O-N 3.27Å; H302-L304 VanDerWaalsContact C-N 3.34Å; H302-L304 PolarHBondContact O-N 3.43Å; L304-S306 VanDerWaalsContact C-N 3.32Å; L304-S306 PolarHBondContact O-N 3.12Å; L304-I307 HydrophobicContact CD2-CD1 4.4Å; L304-I307 PolarHBondContact O-N 2.67Å; L304-Q308 WeakPolarHBondContact O-CG 3.29Å; L304-Q308 PolarHBondContact O-N 3.42Å; L304-Q308 VanDerWaalsContact O-N 3.12Å
305H97.6Very high96.8Very high107 Ų10743.7 Ų43.750%0.49522%0.216SC..Hα-helixtrans-62.2-41.3176.2-66.7168.4000111.4L301 H302 Q308 R309L301-H305 VanDerWaalsContact O-CG 3.26Å; L301-H305 PolarHBondContact O-N 3.36Å; H302-H305 PolarHBondContact O-N 3.45Å; H305-Q308 PolarHBondContact O-N 2.95Å; H305-Q308 VanDerWaalsContact O-N 3.17Å; H305-R309 WeakPolarHBondContact O-CG 3.19Å; H305-R309 PolarHBondContact O-N 3.21Å
306S97.8Very high96.8Very high0 Ų043.7 Ų43.70%022%0.216CC..Hα-helixtrans-66.4-40.8176.9-56.50000112.5H302 K303 L304 Q308 R309 L310 D443 N446H302-S306 PolarHBondContact O-N 2.88Å; H302-S306 PolarHBondContact O-OG 3.22Å; H302-S306 VanDerWaalsContact O-OG 3.08Å; K303-S306 PolarHBondContact O-N 2.99Å; L304-S306 VanDerWaalsContact C-N 3.32Å; L304-S306 PolarHBondContact O-N 3.12Å; S306-Q308 PolarHBondContact O-N 3.2Å; S306-R309 PolarHBondContact O-N 3.3Å; S306-L310 WeakPolarHBondContact O-CD1 3.16Å; S306-L310 PolarHBondContact O-N 3.38Å; S306-D443 WeakPolarHBondContact CA-OD1 3.44Å; S306-D443 WeakPolarHBondContact CB-O 3.45Å; S306-D443 WeakPolarHBondContact CB-OD1 3.32Å; S306-D443 WeakPolarHBondContact OG-CA 3.49Å; S306-D443 PolarHBondContact OG-OD1 2.85Å; S306-N446 WeakPolarHBondContact OG-CB 3.38Å; S306-N446 PolarHBondContact OG-ND2 2.81Å
307I97.9Very high96.9Very high0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-55-39.1171.4-71162.8000111L284 L287 K288 L299 K303 L304 M447L284-I307 HydrophobicContact CD1-CG2 4.2Å; L287-I307 HydrophobicContact CD1-CD1 4.23Å; L287-I307 HydrophobicContact CD2-CD1 3.65Å; L287-I307 HydrophobicContact CD2-CG1 3.73Å; L287-I307 HydrophobicContact CG-CD1 3.82Å; L287-I307 HydrophobicContact CG-CG1 4.15Å; L287-I307 HydrophobicContact CG-CG2 4.17Å; K288-I307 HydrophobicContact CB-CG2 4.46Å; K288-I307 VanDerWaalsContact CE-O 3.28Å; K288-I307 WeakPolarHBondContact CE-O 3.11Å; K288-I307 HydrophobicContact CG-CG2 3.82Å; K288-I307 WeakPolarHBondContact CG-O 3.34Å; K288-I307 PolarHBondContact NZ-O 2.61Å; L299-I307 HydrophobicContact CD1-CD1 3.5Å; K303-I307 HydrophobicContact CG-CD1 4.22Å; K303-I307 VanDerWaalsContact O-CG1 3.27Å; K303-I307 WeakPolarHBondContact O-CG1 3.47Å; K303-I307 PolarHBondContact O-N 2.91Å; L304-I307 HydrophobicContact CD2-CD1 4.4Å; L304-I307 PolarHBondContact O-N 2.67Å; I307-M447 HydrophobicContact CB-SD 4.46Å; I307-M447 HydrophobicContact CG1-CE 4.11Å; I307-M447 HydrophobicContact CG1-SD 3.53Å; I307-M447 VanDerWaalsContact CG1-SD 3.53Å
308Q96.3Very high97Very high107 Ų10735.5 Ų35.550%0.518%0.177SC..Hα-helixtrans-75.8-38.8178.9-66.4-59.4-21.800112.8K288 L304 H305 S306K288-Q308 PolarHBondContact NZ-O 2.94Å; L304-Q308 WeakPolarHBondContact O-CG 3.29Å; L304-Q308 PolarHBondContact O-N 3.42Å; L304-Q308 VanDerWaalsContact O-N 3.12Å; H305-Q308 PolarHBondContact O-N 2.95Å; H305-Q308 VanDerWaalsContact O-N 3.17Å; S306-Q308 PolarHBondContact O-N 3.2Å
309R96.2Very high97.2Very high128 Ų12831.5 Ų31.548%0.48315%0.151SC..Hα-helixtrans-72.9-36.3-178.3-74.5178.5-176.9-165.8-1.2114.6H305 S306 G311 A436 D443H305-R309 WeakPolarHBondContact O-CG 3.19Å; H305-R309 PolarHBondContact O-N 3.21Å; S306-R309 PolarHBondContact O-N 3.3Å; R309-G311 PolarHBondContact O-N 3.24Å; R309-A436 WeakPolarHBondContact O-CB 3.36Å; R309-D443 IonicContact NH1-OD2 2.67Å
310L97.4Very high97.3Very high1 Ų131.2 Ų31.21%0.00515%0.15CC..SBendtrans-61.3137.5176-89.478.3000109.7L284 K288 S306 D443 L444 M447 A469L284-L310 HydrophobicContact CD2-CB 3.57Å; L284-L310 HydrophobicContact CD2-CD2 3.97Å; L284-L310 HydrophobicContact CD2-CG 4.45Å; K288-L310 WeakPolarHBondContact CE-O 3.3Å; K288-L310 PolarHBondContact NZ-O 3.13Å; S306-L310 WeakPolarHBondContact O-CD1 3.16Å; S306-L310 PolarHBondContact O-N 3.38Å; L310-D443 HydrophobicContact CD1-CB 3.87Å; L310-L444 HydrophobicContact CD2-CD2 3.97Å; L310-M447 HydrophobicContact CD1-CG 4.05Å; L310-M447 HydrophobicContact CD2-CG 4.16Å; L310-A469 HydrophobicContact CD2-CB 4.4Å
311G97.8Very high97.4Very high4 Ų430.1 Ų30.14%0.04114%0.142CC..EExtended strand (participates in β ladder)trans-70.3145.4171.800000110.8R309 S433 Y434R309-G311 PolarHBondContact O-N 3.24Å; G311-S433 CarbonylContact O-C 3.52Å; G311-S433 WeakPolarHBondContact O-CA 3.31Å; G311-S433 WeakPolarHBondContact O-CB 3.25Å; G311-Y434 VanDerWaalsContact CA-CE1 3.49Å; G311-Y434 WeakPolarHBondContact CA-O 3.3Å; G311-Y434 PolarHBondContact N-O 3.07Å; G311-Y434 PolarHBondContact O-N 2.89Å
312F98.1Very high97.5Very high27 Ų2724.5 Ų24.512%0.11811%0.113CC..EExtended strand (participates in β ladder)trans-149.2104.7167.3-163.6-98.3000107.8P283 L284 G285 K288 T428 N429 Y432P283-F312 HydrophobicContact CB-CZ 4.15Å; L284-F312 HydrophobicContact CB-CD2 3.58Å; L284-F312 HydrophobicContact CB-CE2 3.9Å; L284-F312 HydrophobicContact CB-CG 4.22Å; L284-F312 HydrophobicContact CD2-CB 4.06Å; L284-F312 HydrophobicContact CD2-CD2 4.04Å; L284-F312 HydrophobicContact CD2-CG 4.46Å; L284-F312 HydrophobicContact CG-CB 4.17Å; L284-F312 HydrophobicContact CG-CD2 4.03Å; L284-F312 HydrophobicContact CG-CG 4.32Å; G285-F312 VanDerWaalsContact N-CD1 3.27Å; G285-F312 VanDerWaalsContact N-CE1 3.28Å; K288-F312 HydrophobicContact CD-CB 4.08Å; F312-T428 WeakPolarHBondContact CE1-O 3.24Å; F312-N429 WeakPolarHBondContact CE1-O 3.38Å; F312-Y432 VanDerWaalsContact CD2-C 3.41Å; F312-Y432 WeakPolarHBondContact CD2-O 3.27Å; F312-Y432 VanDerWaalsContact CE2-CA 3.5Å
313G96.4Very high97.5Very high8 Ų826 Ų268%0.08212%0.123CC..EExtended strand (participates in β ladder)trans-114.2-167-176.900000112.2G198 S431 Y432G198-G313 CarbonylContact O-C 3.59Å; G198-G313 WeakPolarHBondContact O-CA 3.42Å; G198-G313 PolarHBondContact O-N 3.12Å; G313-S431 PolarHBondContact O-N 3.13Å; G313-S431 PolarHBondContact O-OG 3.49Å; G313-S431 VanDerWaalsContact O-OG 3.08Å; G313-Y432 PolarHBondContact N-O 3.16Å
314T97.4Very high97.4Very high1 Ų133.1 Ų33.11%0.00616%0.156CC..  trans-123124.6-173.3-57.20000108.6A380 G381 E385 F423T314-A380 CarbonylContact O-C 2.96Å; T314-A380 WeakPolarHBondContact O-CA 3.41Å; T314-G381 PolarHBondContact O-N 3.37Å; T314-E385 HydrophobicContact CG2-CG 3.98Å; T314-E385 WeakPolarHBondContact OG1-CG 3.02Å; T314-E385 PolarHBondContact OG1-OE1 3.33Å; T314-F423 HydrophobicContact CG2-CB 3.8Å; T314-F423 WeakPolarHBondContact OG1-CD2 3.32Å
315N96.8Very high97.4Very high10 Ų1034.4 Ų34.45%0.05317%0.166CC..EExtended strand (participates in β ladder)trans-126.4124.7168.1-171.630.8000108.5C195 I379 A380 S431 Y432C195-N315 PolarHBondContact O-ND2 2.6Å; N315-I379 PolarHBondContact OD1-O 2.98Å; N315-A380 HydrophobicContact CB-CB 4.46Å; N315-S431 PolarHBondContact N-OG 3.05Å; N315-Y432 HydrophobicContact CB-CE1 4.23Å; N315-Y432 PolarHBondContact ND2-OH 3.42Å
316N98.1Very high97.4Very high0 Ų031.3 Ų31.30%015%0.15CC..EExtended strand (participates in β ladder)trans-119.9160.9178.7-75.5-54.5000111.4I379 S384 M387 E388 S420 Q421 W422N316-I379 HydrophobicContact CB-CG2 4.19Å; N316-I379 PolarHBondContact N-O 3.35Å; N316-I379 PolarHBondContact O-N 2.86Å; N316-S384 VanDerWaalsContact CB-OG 3.26Å; N316-S384 WeakPolarHBondContact CB-OG 3.5Å; N316-S384 PolarHBondContact N-OG 3.04Å; N316-S384 PolarHBondContact ND2-OG 3.29Å; N316-M387 HydrophobicContact CB-CE 3.79Å; N316-E388 WeakPolarHBondContact ND2-CG 3.26Å; N316-E388 PolarHBondContact ND2-OE1 3.11Å; N316-S420 WeakPolarHBondContact CA-OG 3.4Å; N316-S420 WeakPolarHBondContact CB-OG 3.35Å; N316-S420 VanDerWaalsContact CG-OG 3.27Å; N316-S420 WeakPolarHBondContact OD1-CB 3.39Å; N316-S420 PolarHBondContact OD1-O 2.99Å; N316-S420 PolarHBondContact OD1-OG 3.34Å; N316-Q421 PolarHBondContact OD1-N 2.86Å; N316-W422 VanDerWaalsContact OD1-CD1 3.32Å; N316-W422 PolarHBondContact OD1-N 2.83Å; N316-W422 VanDerWaalsContact OD1-N 3.17Å
317K98.1Very high97.3Very high8 Ų832.3 Ų32.34%0.03515%0.154CC..EExtended strand (participates in β ladder)trans-109.3145.1174.6-60.8179.1-172.1-179.70110.4E65 G67 N69 F319 G377 W378 R419 S420E65-K317 VanDerWaalsContact O-CD 3.22Å; E65-K317 WeakPolarHBondContact O-CD 3.47Å; E65-K317 WeakPolarHBondContact O-CE 3.32Å; E65-K317 PolarHBondContact O-NZ 3.38Å; G67-K317 WeakPolarHBondContact O-CE 3.35Å; G67-K317 PolarHBondContact O-NZ 2.91Å; N69-K317 PolarHBondContact OD1-NZ 3.19Å; K317-F319 HydrophobicContact CB-CD2 4.4Å; K317-F319 HydrophobicContact CB-CE2 3.75Å; K317-F319 HydrophobicContact CB-CZ 4.08Å; K317-F319 HydrophobicContact CD-CE2 4.11Å; K317-F319 HydrophobicContact CD-CZ 3.74Å; K317-G377 CarbonylContact C-O 3.57Å; K317-G377 VanDerWaalsContact CA-O 3.27Å; K317-G377 WeakPolarHBondContact CA-O 3.18Å; K317-W378 HydrophobicContact CD-CH2 4.24Å; K317-W378 HydrophobicContact CD-CZ3 4.15Å; K317-W378 VanDerWaalsContact CE-CH2 3.44Å; K317-W378 HydrophobicContact CG-CE3 4.01Å; K317-W378 HydrophobicContact CG-CH2 4.44Å; K317-W378 HydrophobicContact CG-CZ3 3.94Å; K317-R419 CarbonylContact O-C 3.55Å; K317-R419 WeakPolarHBondContact O-CA 3.14Å; K317-S420 PolarHBondContact N-OG 2.92Å; K317-S420 PolarHBondContact O-N 2.59Å
318I98.3Very high97.3Very high0 Ų035.3 Ų35.30%017%0.17CC..EExtended strand (participates in β ladder)trans-121.5107169.5-48.2179.2000107.8V320 W355 L359 G377 I379 M387 V399 I417 L418I318-V320 HydrophobicContact CG2-CG2 3.93Å; I318-W355 HydrophobicContact CD1-CH2 4.45Å; I318-W355 HydrophobicContact CD1-CZ3 4.25Å; I318-L359 HydrophobicContact CD1-CD1 3.69Å; I318-L359 HydrophobicContact CG1-CD1 4.47Å; I318-G377 PolarHBondContact N-O 3.33Å; I318-G377 PolarHBondContact O-N 2.67Å; I318-I379 HydrophobicContact CD1-CG2 4.29Å; I318-I379 HydrophobicContact CG1-CG2 4.33Å; I318-M387 HydrophobicContact CD1-SD 3.37Å; I318-M387 WeakPolarHBondContact CD1-SD 3.39Å; I318-M387 HydrophobicContact CG1-CE 4.33Å; I318-M387 HydrophobicContact CG1-SD 3.65Å; I318-V399 HydrophobicContact CG2-CG2 4.18Å; I318-I417 HydrophobicContact CG2-CG2 3.85Å; I318-L418 CarbonylContact C-O 3.54Å
319F98.4Very high97.2Very high2 Ų234.7 Ų34.71%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-82.9129173.4-63.8-81.5000109.6I64 E65 I66 K317 L365 L374 L375 C376 I417 L418I64-F319 HydrophobicContact CB-CD1 4.18Å; I64-F319 HydrophobicContact CB-CE1 3.81Å; I64-F319 HydrophobicContact CB-CE2 4.45Å; I64-F319 HydrophobicContact CB-CZ 3.96Å; I64-F319 HydrophobicContact CD1-CD1 4.28Å; I64-F319 HydrophobicContact CD1-CD2 3.75Å; I64-F319 HydrophobicContact CD1-CE1 4.48Å; I64-F319 HydrophobicContact CD1-CE2 3.96Å; I64-F319 HydrophobicContact CD1-CG 3.91Å; I64-F319 HydrophobicContact CD1-CZ 4.32Å; I64-F319 HydrophobicContact CG2-CD1 3.97Å; I64-F319 HydrophobicContact CG2-CE1 3.99Å; E65-F319 VanDerWaalsContact O-CZ 3.31Å; E65-F319 WeakPolarHBondContact O-CZ 3.46Å; I66-F319 HydrophobicContact CD1-CE2 3.97Å; K317-F319 HydrophobicContact CB-CD2 4.4Å; K317-F319 HydrophobicContact CB-CE2 3.75Å; K317-F319 HydrophobicContact CB-CZ 4.08Å; K317-F319 HydrophobicContact CD-CE2 4.11Å; K317-F319 HydrophobicContact CD-CZ 3.74Å; F319-L365 HydrophobicContact CD1-CD2 4.44Å; F319-L365 HydrophobicContact CE1-CD2 4.27Å; F319-L374 HydrophobicContact CB-CD1 4.26Å; F319-L375 CarbonylContact C-O 3.35Å; F319-L375 VanDerWaalsContact CA-O 3.26Å; F319-L375 WeakPolarHBondContact CA-O 3.07Å; F319-C376 HydrophobicContact CD1-CB 4.06Å; F319-C376 HydrophobicContact CE1-CB 3.87Å; F319-I417 VanDerWaalsContact O-CA 3.24Å; F319-I417 WeakPolarHBondContact O-CA 3.08Å; F319-L418 HydrophobicContact CB-CB 4.33Å; F319-L418 HydrophobicContact CD2-CD2 3.73Å; F319-L418 HydrophobicContact CE2-CD2 4.35Å; F319-L418 PolarHBondContact N-O 3.35Å; F319-L418 PolarHBondContact O-N 3.17Å
320V98.1Very high97Very high0 Ų033.1 Ų33.10%018%0.184CC..EExtended strand (participates in β ladder)trans-132.6114-175.7-167.10000109I318 F322 F362 L375 V399 P414 I417I318-V320 HydrophobicContact CG2-CG2 3.93Å; V320-F322 HydrophobicContact CB-CE2 4.02Å; V320-F322 HydrophobicContact CB-CZ 4.41Å; V320-F322 HydrophobicContact CG1-CD2 4.37Å; V320-F322 HydrophobicContact CG1-CE1 4.33Å; V320-F322 HydrophobicContact CG1-CE2 3.45Å; V320-F322 VanDerWaalsContact CG1-CE2 3.45Å; V320-F322 HydrophobicContact CG1-CZ 3.42Å; V320-F322 VanDerWaalsContact CG1-CZ 3.42Å; V320-F362 HydrophobicContact CG2-CE1 3.99Å; V320-L375 HydrophobicContact CB-CB 4.43Å; V320-L375 PolarHBondContact N-O 3.48Å; V320-L375 PolarHBondContact O-N 3.22Å; V320-V399 HydrophobicContact CG1-CG1 3.96Å; V320-V399 HydrophobicContact CG2-CG1 3.83Å; V320-P414 HydrophobicContact CG1-CB 3.73Å; V320-P414 HydrophobicContact CG1-CG 3.93Å; V320-I417 HydrophobicContact CB-CG1 4.38Å; V320-I417 HydrophobicContact CG1-CD1 4.2Å; V320-I417 HydrophobicContact CG1-CG1 3.92Å; V320-I417 HydrophobicContact CG2-CG1 4.23Å
321E97.8Very high97Very high6 Ų633.1 Ų33.13%0.02818%0.184CC..EExtended strand (participates in β ladder)trans-100140.3178.8-171.9-174.3-136.100110.8L59 K62 N373 L374 P414 R415 R416L59-E321 HydrophobicContact CD2-CB 4.01Å; K62-E321 IonicContact NZ-OE1 3.8Å; K62-E321 PolarHBondContact NZ-OE1 2.82Å; E321-N373 WeakPolarHBondContact CA-O 3.29Å; E321-L374 HydrophobicContact CB-CD1 4.08Å; E321-P414 CarbonylContact O-C 3.25Å; E321-R415 WeakPolarHBondContact O-CB 3.35Å; E321-R415 PolarHBondContact O-N 2.63Å; E321-R415 WeakPolarHBondContact OE2-CD 3.46Å; E321-R415 IonicContact OE2-NE 3.97Å; E321-R416 HydrophobicContact CB-CB 4.33Å; E321-R416 VanDerWaalsContact CD-NH2 3.28Å; E321-R416 PolarHBondContact N-O 2.62Å; E321-R416 PolarHBondContact O-N 2.9Å; E321-R416 IonicContact OE1-NH2 3.21Å; E321-R416 PolarHBondContact OE1-NH2 2.8Å; E321-R416 IonicContact OE2-CZ 3.96Å; E321-R416 IonicContact OE2-NE 3.63Å; E321-R416 PolarHBondContact OE2-NE 3.23Å; E321-R416 IonicContact OE2-NH2 2.67Å; E321-R416 PolarHBondContact OE2-NH2 2.91Å
322F97.7Very high96.8Very high9 Ų934.9 Ų34.94%0.03919%0.193CC..  trans-121.4156.7174.4-61-89.9000110.9V320 E324 W326 W327 N373 L375 V403 I412 P414V320-F322 HydrophobicContact CB-CE2 4.02Å; V320-F322 HydrophobicContact CB-CZ 4.41Å; V320-F322 HydrophobicContact CG1-CD2 4.37Å; V320-F322 HydrophobicContact CG1-CE1 4.33Å; V320-F322 HydrophobicContact CG1-CE2 3.45Å; V320-F322 VanDerWaalsContact CG1-CE2 3.45Å; V320-F322 HydrophobicContact CG1-CZ 3.42Å; V320-F322 VanDerWaalsContact CG1-CZ 3.42Å; F322-E324 WeakPolarHBondContact CB-O 3.3Å; F322-W326 AromaticContact CD1-CD1 3.85Å; F322-W326 AromaticContact CD1-NE1 3.75Å; F322-W326 AromaticContact CD2-NE1 3.65Å; F322-W326 AromaticContact CE1-CD1 3.89Å; F322-W326 AromaticContact CE1-NE1 3.4Å; F322-W326 HydrophobicContact CE2-CZ2 4.47Å; F322-W326 AromaticContact CE2-NE1 3.3Å; F322-W326 VanDerWaalsContact CE2-NE1 3.3Å; F322-W326 AromaticContact CG-NE1 3.87Å; F322-W326 HydrophobicContact CZ-CZ2 4.4Å; F322-W326 AromaticContact CZ-NE1 3.16Å; F322-W327 AromaticContact CD2-CH2 3.93Å; F322-W327 HydrophobicContact CD2-CH2 3.93Å; F322-W327 AromaticContact CD2-CZ3 3.67Å; F322-W327 HydrophobicContact CD2-CZ3 3.67Å; F322-W327 HydrophobicContact CE2-CZ3 4.1Å; F322-W327 HydrophobicContact CG-CZ3 4.36Å; F322-N373 HydrophobicContact CB-CB 4.29Å; F322-N373 PolarHBondContact N-O 2.82Å; F322-N373 WeakPolarHBondContact O-CB 3.42Å; F322-L375 HydrophobicContact CE2-CD1 3.84Å; F322-L375 HydrophobicContact CE2-CG 4.24Å; F322-V403 HydrophobicContact CE1-CG1 4.48Å; F322-V403 HydrophobicContact CZ-CG1 4.47Å; F322-V403 HydrophobicContact CZ-CG2 4.23Å; F322-I412 HydrophobicContact CD1-CG2 3.95Å; F322-I412 HydrophobicContact CE1-CG2 3.64Å; F322-P414 HydrophobicContact CE1-CB 4.22Å; F322-P414 HydrophobicContact CE1-CG 3.93Å; F322-P414 HydrophobicContact CZ-CG 4.22Å
323D96.1Very high96.7Very high99 Ų9934.4 Ų34.453%0.52919%0.192SC..SBendtrans-72.2-40.5170.2-70.4-47.8000111N373 R415D323-N373 PolarHBondContact O-ND2 2.94Å; D323-R415 WeakPolarHBondContact OD1-CD 3.41Å; D323-R415 IonicContact OD1-NH1 3.88Å; D323-R415 PolarHBondContact OD1-NH1 2.68Å
324E96.1Very high96.7Very high150 Ų15034 Ų3470%0.70119%0.188SC*.SBendtrans-127.1142.5177.3-65.4-62.3155.300110.4F322F322-E324 WeakPolarHBondContact CB-O 3.3Å
325P97.1Very high96.7Very high56 Ų5635.3 Ų35.336%0.36419%0.194SC..  trans-71.7138.8176.931.8-31.6000110W327 N373P325-W327 HydrophobicContact CB-CD2 4.01Å; P325-W327 HydrophobicContact CB-CE3 4.34Å; P325-W327 HydrophobicContact CB-CH2 4.23Å; P325-W327 HydrophobicContact CB-CZ2 3.88Å; P325-W327 HydrophobicContact CB-CZ3 4.43Å; P325-N373 WeakPolarHBondContact CD-ND2 3.41Å
326W96.9Very high96.8Very high41 Ų4135 Ų3516%0.15519%0.192CC..  trans-104.54.3172.352-96.7000112.8F115 F322 I334 L375 V403 T407 I412F115-W326 HydrophobicContact CD2-CZ3 4.2Å; F115-W326 HydrophobicContact CE2-CE3 4.28Å; F115-W326 AromaticContact CE2-CZ3 3.7Å; F115-W326 HydrophobicContact CE2-CZ3 3.7Å; F115-W326 HydrophobicContact CZ-CE3 4.31Å; F115-W326 HydrophobicContact CZ-CZ3 4.17Å; F322-W326 AromaticContact CD1-CD1 3.85Å; F322-W326 AromaticContact CD1-NE1 3.75Å; F322-W326 AromaticContact CD2-NE1 3.65Å; F322-W326 AromaticContact CE1-CD1 3.89Å; F322-W326 AromaticContact CE1-NE1 3.4Å; F322-W326 HydrophobicContact CE2-CZ2 4.47Å; F322-W326 AromaticContact CE2-NE1 3.3Å; F322-W326 VanDerWaalsContact CE2-NE1 3.3Å; F322-W326 AromaticContact CG-NE1 3.87Å; F322-W326 HydrophobicContact CZ-CZ2 4.4Å; F322-W326 AromaticContact CZ-NE1 3.16Å; W326-I334 HydrophobicContact CE3-CD1 4.48Å; W326-I334 HydrophobicContact CH2-CD1 3.41Å; W326-I334 VanDerWaalsContact CH2-CD1 3.41Å; W326-I334 HydrophobicContact CH2-CG2 3.96Å; W326-I334 HydrophobicContact CZ2-CD1 4.06Å; W326-I334 HydrophobicContact CZ3-CD1 3.66Å; W326-I334 HydrophobicContact CZ3-CG2 4.05Å; W326-L375 HydrophobicContact CH2-CD1 4.08Å; W326-L375 HydrophobicContact CZ2-CD1 3.37Å; W326-V403 HydrophobicContact CD2-CG1 4.18Å; W326-V403 HydrophobicContact CZ2-CG1 3.86Å; W326-V403 HydrophobicContact CZ2-CG2 4.06Å; W326-T407 HydrophobicContact CD2-CG2 4.12Å; W326-T407 HydrophobicContact CE3-CG2 3.63Å; W326-T407 HydrophobicContact CZ3-CG2 3.99Å; W326-I412 HydrophobicContact CB-CD1 3.62Å; W326-I412 HydrophobicContact CB-CG1 4.45Å; W326-I412 HydrophobicContact CG-CD1 3.89Å; W326-I412 HydrophobicContact CG-CG2 4.4Å
327W97.4Very high96.7Very high21 Ų2135 Ų358%0.0819%0.192CC..SBendtrans-110172.4176.758.490.2000110.9F322 P325 C331 I334 V364 N373 L375F322-W327 AromaticContact CD2-CH2 3.93Å; F322-W327 HydrophobicContact CD2-CH2 3.93Å; F322-W327 AromaticContact CD2-CZ3 3.67Å; F322-W327 HydrophobicContact CD2-CZ3 3.67Å; F322-W327 HydrophobicContact CE2-CZ3 4.1Å; F322-W327 HydrophobicContact CG-CZ3 4.36Å; P325-W327 HydrophobicContact CB-CD2 4.01Å; P325-W327 HydrophobicContact CB-CE3 4.34Å; P325-W327 HydrophobicContact CB-CH2 4.23Å; P325-W327 HydrophobicContact CB-CZ2 3.88Å; P325-W327 HydrophobicContact CB-CZ3 4.43Å; W327-C331 HydrophobicContact CB-CB 4.43Å; W327-I334 HydrophobicContact CB-CD1 3.77Å; W327-I334 HydrophobicContact CB-CG1 4.42Å; W327-I334 HydrophobicContact CD2-CD1 4.18Å; W327-I334 HydrophobicContact CE3-CD1 4.18Å; W327-I334 HydrophobicContact CG-CD1 4.03Å; W327-V364 HydrophobicContact CG-CG2 4.43Å; W327-V364 HydrophobicContact CZ2-CG1 4.37Å; W327-N373 HydrophobicContact CH2-CB 3.84Å; W327-N373 HydrophobicContact CZ2-CB 4.07Å; W327-L375 HydrophobicContact CD2-CD2 4.14Å; W327-L375 HydrophobicContact CE3-CD1 4.09Å; W327-L375 HydrophobicContact CE3-CD2 4.06Å; W327-L375 HydrophobicContact CE3-CG 4.32Å; W327-L375 HydrophobicContact CH2-CD1 4.34Å; W327-L375 HydrophobicContact CH2-CD2 3.79Å; W327-L375 HydrophobicContact CH2-CG 3.81Å; W327-L375 HydrophobicContact CZ2-CD2 3.86Å; W327-L375 HydrophobicContact CZ2-CG 4.39Å; W327-L375 HydrophobicContact CZ3-CD1 3.78Å; W327-L375 HydrophobicContact CZ3-CD2 3.89Å; W327-L375 HydrophobicContact CZ3-CG 3.78Å
328D96.5Very high96.6Very high64 Ų6435 Ų3534%0.34219%0.192SC..  trans-75.4150-176-62.216.7000110.1N113 K121 D330 C331N113-D328 VanDerWaalsContact ND2-CG 3.33Å; N113-D328 PolarHBondContact ND2-N 3.34Å; N113-D328 VanDerWaalsContact ND2-N 3.18Å; N113-D328 PolarHBondContact ND2-OD1 3.03Å; N113-D328 PolarHBondContact OD1-OD2 3.1Å; K121-D328 IonicContact NZ-OD1 3.21Å; K121-D328 PolarHBondContact NZ-OD1 3.17Å; K121-D328 IonicContact NZ-OD2 2.73Å; K121-D328 PolarHBondContact NZ-OD2 2.92Å; D328-D330 VanDerWaalsContact C-N 3.26Å; D328-D330 PolarHBondContact O-N 3.3Å; D328-C331 HydrophobicContact CB-CB 4.23Å; D328-C331 WeakPolarHBondContact O-CB 3.39Å; D328-C331 PolarHBondContact O-N 3.12Å
329A93.9Very high96.3Very high93 Ų9337.8 Ų37.877%0.76921%0.205SC*.THydrogen-bonded Turntrans-61.5-34.6-17200000113.5K366A329-K366 PolarHBondContact O-NZ 2.98Å
330D93.6Very high95.9Very high96 Ų9641.2 Ų41.251%0.51322%0.223SC..THydrogen-bonded Turntrans-87.9-3.9178.360.4-19.3000113.6V111 D328 D332V111-D330 WeakPolarHBondContact CB-O 3.46Å; D328-D330 VanDerWaalsContact C-N 3.26Å; D328-D330 PolarHBondContact O-N 3.3Å; D330-D332 PolarHBondContact O-N 3.23Å
331C95.7Very high95.5Very high0 Ų042.7 Ų42.70%023%0.23CC..  trans-64.2132.3-178.6176.60000112.1W327 D328 V333 V364 K366W327-C331 HydrophobicContact CB-CB 4.43Å; D328-C331 HydrophobicContact CB-CB 4.23Å; D328-C331 WeakPolarHBondContact O-CB 3.39Å; D328-C331 PolarHBondContact O-N 3.12Å; C331-V333 PolarHBondContact SG-O 3.44Å; C331-V364 WeakPolarHBondContact O-CG2 3.37Å; C331-K366 WeakPolarHBondContact O-CE 3.15Å; C331-K366 PolarHBondContact O-NZ 2.83Å
332D94.4Very high95Very high41 Ų4148.5 Ų48.522%0.21926%0.262CS..  trans-104-36.5174.8-61.5-53.4000111.6W110 V111 D330 V364W110-D332 HydrophobicContact CB-CB 4.01Å; W110-D332 HydrophobicContact CG-CB 4.19Å; V111-D332 PolarHBondContact N-OD2 3.1Å; V111-D332 PolarHBondContact O-N 2.67Å; D330-D332 PolarHBondContact O-N 3.23Å; D332-V364 PolarHBondContact O-N 2.9Å
333V95.5Very high94.5Very high18 Ų1850.2 Ų50.211%0.10928%0.277CS..EExtended strand (participates in β ladder)trans-135.8142.8-176.9177.90000111.3W110 V111 T112 N113 C331 F362W110-V333 HydrophobicContact CB-CG2 4.3Å; W110-V333 HydrophobicContact CD2-CG2 3.86Å; W110-V333 HydrophobicContact CE3-CB 4.46Å; W110-V333 HydrophobicContact CE3-CG2 3.29Å; W110-V333 HydrophobicContact CG-CG2 4.33Å; W110-V333 HydrophobicContact CZ3-CG2 3.77Å; V111-V333 PolarHBondContact O-N 3.01Å; T112-V333 CarbonylContact C-O 3.53Å; T112-V333 VanDerWaalsContact CA-O 3.26Å; T112-V333 WeakPolarHBondContact CA-O 3.3Å; T112-V333 HydrophobicContact CG2-CG1 4.49Å; N113-V333 PolarHBondContact N-O 3.25Å; C331-V333 PolarHBondContact SG-O 3.44Å; V333-F362 CarbonylContact C-O 3.58Å; V333-F362 WeakPolarHBondContact CA-O 3.45Å
334I97.8Very high94.4Very high0 Ų045.9 Ų45.90%025%0.254CS..EExtended strand (participates in β ladder)trans-115.4118.3174.3-54.6177000108.4N113 F115 W326 W327 L336 G361 F362 V364 L375N113-I334 HydrophobicContact CB-CG1 4.44Å; N113-I334 CarbonylContact O-C 3.56Å; N113-I334 VanDerWaalsContact O-CA 3.27Å; N113-I334 WeakPolarHBondContact O-CA 3.48Å; F115-I334 HydrophobicContact CD2-CG2 3.67Å; F115-I334 HydrophobicContact CE2-CG2 3.9Å; W326-I334 HydrophobicContact CE3-CD1 4.48Å; W326-I334 HydrophobicContact CH2-CD1 3.41Å; W326-I334 VanDerWaalsContact CH2-CD1 3.41Å; W326-I334 HydrophobicContact CH2-CG2 3.96Å; W326-I334 HydrophobicContact CZ2-CD1 4.06Å; W326-I334 HydrophobicContact CZ3-CD1 3.66Å; W326-I334 HydrophobicContact CZ3-CG2 4.05Å; W327-I334 HydrophobicContact CB-CD1 3.77Å; W327-I334 HydrophobicContact CB-CG1 4.42Å; W327-I334 HydrophobicContact CD2-CD1 4.18Å; W327-I334 HydrophobicContact CE3-CD1 4.18Å; W327-I334 HydrophobicContact CG-CD1 4.03Å; I334-L336 HydrophobicContact CG2-CD2 4.22Å; I334-G361 CarbonylContact O-C 3.6Å; I334-G361 WeakPolarHBondContact O-CA 3.36Å; I334-F362 HydrophobicContact CB-CB 4.29Å; I334-F362 PolarHBondContact N-O 2.97Å; I334-F362 PolarHBondContact O-N 3.38Å; I334-V364 HydrophobicContact CD1-CG2 4.47Å; I334-V364 HydrophobicContact CG1-CG2 4.44Å; I334-L375 HydrophobicContact CD1-CD1 3.94Å; I334-L375 HydrophobicContact CD1-CD2 3.95Å
335Q97Very high94.3Very high27 Ų2740.4 Ų40.413%0.12623%0.231CC..EExtended strand (participates in β ladder)trans-100.2134.9176.3-177.4173.3-12.400110.8T112 N113 I114 F115 V337T112-Q335 HydrophobicContact CG2-CB 4.1Å; N113-Q335 PolarHBondContact O-N 3.11Å; I114-Q335 HydrophobicContact CG1-CB 4.46Å; I114-Q335 HydrophobicContact CG2-CB 4.49Å; F115-Q335 PolarHBondContact N-O 2.84Å; Q335-V337 HydrophobicContact CG-CG2 4.47Å
336L97.4Very high94.1Very high3 Ų337.8 Ų37.82%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-109.1117.2177.5-56-176.7000110.1F115 I334 L359 F360 F362 L402 F406F115-L336 HydrophobicContact CB-CD2 4.35Å; F115-L336 WeakPolarHBondContact O-CA 3.34Å; I334-L336 HydrophobicContact CG2-CD2 4.22Å; L336-L359 HydrophobicContact CD1-CD2 3.76Å; L336-F360 PolarHBondContact N-O 3.43Å; L336-F362 HydrophobicContact CD1-CE2 3.95Å; L336-L402 HydrophobicContact CD1-CD1 4.13Å; L336-L402 HydrophobicContact CD1-CD2 3.7Å; L336-L402 HydrophobicContact CD1-CG 4.03Å; L336-F406 HydrophobicContact CB-CD1 3.92Å; L336-F406 HydrophobicContact CB-CE1 3.57Å; L336-F406 HydrophobicContact CB-CZ 3.98Å; L336-F406 HydrophobicContact CD2-CB 4.06Å; L336-F406 HydrophobicContact CD2-CD1 3.65Å; L336-F406 HydrophobicContact CD2-CE1 4.22Å; L336-F406 HydrophobicContact CD2-CG 3.85Å; L336-F406 HydrophobicContact CG-CD1 4.27Å; L336-F406 HydrophobicContact CG-CE1 4.37Å
337V96.8Very high93.8Very high0 Ų039.7 Ų39.70%022%0.224CC..EExtended strand (participates in β ladder)trans-101.7109.7177.4-174.50000110.5I114 F115 S116 S117 L122 L181 C184 V185 Q335 E339 F406I114-V337 HydrophobicContact CG2-CG2 3.88Å; F115-V337 PolarHBondContact O-N 3.37Å; S116-V337 CarbonylContact C-O 3.59Å; S116-V337 VanDerWaalsContact CA-O 3.31Å; S116-V337 WeakPolarHBondContact CA-O 3.35Å; S117-V337 PolarHBondContact N-O 3.02Å; L122-V337 HydrophobicContact CD1-CG2 4.32Å; L181-V337 HydrophobicContact CD1-CG1 3.85Å; C184-V337 HydrophobicContact CB-CG1 3.81Å; V185-V337 HydrophobicContact CG2-CG1 4.04Å; V185-V337 HydrophobicContact CG2-CG2 4.12Å; Q335-V337 HydrophobicContact CG-CG2 4.47Å; V337-E339 PolarHBondContact O-N 3.16Å; V337-F406 WeakPolarHBondContact O-CE1 3.37Å
338W95.6Very high93.5Very high9 Ų939.3 Ų39.33%0.03423%0.225CC..  trans-79.5116.1175.4-67.196.3000110.3C184 E341 K357 L402 F406C184-W338 VanDerWaalsContact CB-O 3.25Å; C184-W338 WeakPolarHBondContact CB-O 3.41Å; C184-W338 PolarHBondContact SG-O 2.73Å; W338-E341 VanDerWaalsContact CB-CD 3.46Å; W338-E341 HydrophobicContact CB-CG 3.73Å; W338-E341 WeakPolarHBondContact CB-OE1 3.13Å; W338-K357 HydrophobicContact CD2-CB 4.49Å; W338-K357 HydrophobicContact CD2-CG 4.11Å; W338-K357 HydrophobicContact CE3-CD 4.29Å; W338-K357 HydrophobicContact CE3-CG 4.08Å; W338-K357 HydrophobicContact CH2-CG 3.86Å; W338-K357 HydrophobicContact CZ2-CB 4.25Å; W338-K357 HydrophobicContact CZ2-CG 3.91Å; W338-K357 HydrophobicContact CZ3-CD 4.44Å; W338-K357 HydrophobicContact CZ3-CG 3.96Å; W338-K357 PolarHBondContact NE1-O 2.78Å; W338-L402 HydrophobicContact CH2-CD1 3.41Å; W338-L402 VanDerWaalsContact CH2-CD1 3.41Å; W338-L402 HydrophobicContact CZ2-CD1 3.24Å; W338-F406 HydrophobicContact CD2-CE2 4.04Å; W338-F406 AromaticContact CD2-CZ 3.57Å; W338-F406 HydrophobicContact CD2-CZ 3.57Å; W338-F406 AromaticContact CE2-CE2 3.88Å; W338-F406 AromaticContact CE2-CZ 3.63Å; W338-F406 AromaticContact CE3-CE2 3.92Å; W338-F406 HydrophobicContact CE3-CE2 3.92Å; W338-F406 AromaticContact CE3-CZ 3.78Å; W338-F406 HydrophobicContact CE3-CZ 3.78Å; W338-F406 HydrophobicContact CG-CZ 4.06Å; W338-F406 AromaticContact CH2-CE2 3.62Å; W338-F406 HydrophobicContact CH2-CE2 3.62Å; W338-F406 HydrophobicContact CH2-CZ 4.18Å; W338-F406 AromaticContact CZ2-CE2 3.7Å; W338-F406 HydrophobicContact CZ2-CE2 3.7Å; W338-F406 AromaticContact CZ2-CZ 3.96Å; W338-F406 HydrophobicContact CZ2-CZ 3.96Å; W338-F406 AromaticContact CZ3-CE2 3.72Å; W338-F406 HydrophobicContact CZ3-CE2 3.72Å; W338-F406 HydrophobicContact CZ3-CZ 4.08Å
339E93.3Very high93.2Very high59 Ų5942.3 Ų42.328%0.27625%0.251SS..SBendtrans-99.4-8.5-179.2-62.9174.7105.500112S116 S117 S118 R120 L181 V337S116-E339 WeakPolarHBondContact CB-OE2 3.47Å; S116-E339 PolarHBondContact OG-OE2 3.38Å; S117-E339 PolarHBondContact OG-N 2.73Å; S118-E339 VanDerWaalsContact CB-OE2 3.31Å; S118-E339 WeakPolarHBondContact CB-OE2 3.4Å; S118-E339 PolarHBondContact N-OE2 2.92Å; S118-E339 PolarHBondContact OG-OE2 3.23Å; R120-E339 IonicContact CZ-OE1 2.83Å; R120-E339 IonicContact NH2-OE1 2.71Å; R120-E339 PolarHBondContact NH2-OE1 3.28Å; R120-E339 IonicContact NH2-OE2 3.31Å; L181-E339 HydrophobicContact CD1-CG 4.38Å; V337-E339 PolarHBondContact O-N 3.16Å
340D89.9Confident93.2Very high73 Ų7342.3 Ų42.339%0.3924%0.237SC..SBendtrans-109.928.7-177.575.4-32.9000112.5K357 R405D340-K357 PolarHBondContact O-NZ 2.8Å; D340-K357 VanDerWaalsContact O-NZ 3.14Å; D340-K357 IonicContact OD1-NZ 2.81Å; D340-K357 PolarHBondContact OD1-NZ 2.99Å; D340-K357 IonicContact OD2-NZ 3.44Å; D340-K357 PolarHBondContact OD2-NZ 3.43Å; D340-R405 IonicContact OD1-CZ 2.79Å; D340-R405 IonicContact OD1-NH1 2.79Å; D340-R405 IonicContact OD1-NH2 3.62Å; D340-R405 PolarHBondContact OD1-NH2 2.69Å; D340-R405 IonicContact OD2-CZ 3.58Å; D340-R405 VanDerWaalsContact OD2-CZ 3.24Å; D340-R405 IonicContact OD2-NH1 3.61Å; D340-R405 PolarHBondContact OD2-NH1 3.48Å; D340-R405 IonicContact OD2-NH2 3.42Å; D340-R405 PolarHBondContact OD2-NH2 3.39Å
341E89.1Confident93.3Very high31 Ų3139.2 Ų39.215%0.14522%0.222CC..SBendtrans-125.2166.1173.468.8179.7-177.600111.4K191 W338 V345K191-E341 IonicContact NZ-OE1 3.56Å; K191-E341 PolarHBondContact NZ-OE1 2.97Å; K191-E341 IonicContact NZ-OE2 3.23Å; K191-E341 PolarHBondContact NZ-OE2 3.38Å; W338-E341 VanDerWaalsContact CB-CD 3.46Å; W338-E341 HydrophobicContact CB-CG 3.73Å; W338-E341 WeakPolarHBondContact CB-OE1 3.13Å; E341-V345 HydrophobicContact CG-CG2 4.24Å
342D86.9Confident93.2Very high129 Ų12946.6 Ų46.669%0.6925%0.254SS*.  trans-61.3144.1173.5-71.4-33.1000110.5V345D342-V345 HydrophobicContact CB-CG1 3.73Å; D342-V345 WeakPolarHBondContact O-CG2 3.42Å
343A88.5Confident93.2Very high44 Ų4447.2 Ų47.236%0.36427%0.27SS..THydrogen-bonded Turntrans-71.9145.2179.300000112.2L183L183-A343 HydrophobicContact CB-CB 3.78Å; L183-A343 HydrophobicContact CD1-CB 4.09Å
344L93.1Very high93.2Very high8 Ų848.1 Ų48.14%0.04228%0.277CS..THydrogen-bonded Turntrans63.238.6177.1-53.2175.3000113.5R160 V163 R164 L183 I186 S187R160-L344 WeakPolarHBondContact CD-O 3.32Å; R160-L344 HydrophobicContact CG-CB 4.11Å; R160-L344 PolarHBondContact NE-O 2.87Å; V163-L344 HydrophobicContact CB-CD2 4.45Å; V163-L344 HydrophobicContact CG1-CD1 4.12Å; V163-L344 HydrophobicContact CG1-CD2 3.8Å; R164-L344 HydrophobicContact CG-CD1 3.84Å; L183-L344 HydrophobicContact CB-CD2 4.47Å; L183-L344 HydrophobicContact CD2-CD1 4.25Å; L183-L344 HydrophobicContact CD2-CD2 3.88Å; L183-L344 HydrophobicContact CD2-CG 4.13Å; I186-L344 HydrophobicContact CB-CD2 3.8Å; I186-L344 HydrophobicContact CD1-CD2 4.36Å; I186-L344 HydrophobicContact CG2-CD2 3.4Å; I186-L344 VanDerWaalsContact CG2-CD2 3.4Å; S187-L344 WeakPolarHBondContact OG-CA 3.26Å; S187-L344 PolarHBondContact OG-N 2.99Å
345V93.2Very high93.2Very high35 Ų3548.8 Ų48.821%0.21228%0.28CS..  trans-109.2143.1179.4-57.50000112.3S187 E341 D342S187-V345 WeakPolarHBondContact CA-O 3.48Å; S187-V345 VanDerWaalsContact CB-O 3.3Å; S187-V345 WeakPolarHBondContact CB-O 3.24Å; S187-V345 PolarHBondContact OG-N 3.07Å; E341-V345 HydrophobicContact CG-CG2 4.24Å; D342-V345 HydrophobicContact CB-CG1 3.73Å; D342-V345 WeakPolarHBondContact O-CG2 3.42Å
346D92.8Very high93.2Very high2 Ų248.6 Ų48.61%0.01128%0.28CS..  trans-121.7-11.9172.360.9-24.6000112.4R160 L190 K191 S201 L202 K358R160-D346 IonicContact CZ-OD1 3.48Å; R160-D346 IonicContact NH2-OD1 2.69Å; R160-D346 PolarHBondContact NH2-OD1 3.09Å; R160-D346 IonicContact NH2-OD2 2.63Å; L190-D346 HydrophobicContact CB-CB 3.71Å; K191-D346 HydrophobicContact CG-CB 4.46Å; S201-D346 VanDerWaalsContact CA-OD2 3.27Å; S201-D346 WeakPolarHBondContact CA-OD2 3.44Å; S201-D346 WeakPolarHBondContact CB-OD2 3.49Å; S201-D346 PolarHBondContact OG-OD1 3.28Å; S201-D346 PolarHBondContact OG-OD2 3.42Å; L202-D346 PolarHBondContact N-OD2 3.15Å; D346-K358 VanDerWaalsContact O-CD 3.31Å; D346-K358 WeakPolarHBondContact O-CD 3.25Å; D346-K358 PolarHBondContact O-NZ 2.66Å
347Q91.6Very high93.2Very high80 Ų8050 Ų5037%0.37429%0.285SS..SBendtrans-104.1147.3177.9-61.417319.200110.9S201S201-Q347 PolarHBondContact OG-NE2 2.74Å
348V91.6Very high93.2Very high14 Ų1450 Ų509%0.08529%0.285CS..  trans-101.7110.4171.1-177.40000109.5D350 V351 S354 K357 K358 E383V348-D350 WeakPolarHBondContact CG1-O 3.18Å; V348-D350 PolarHBondContact O-N 3.23Å; V348-V351 VanDerWaalsContact O-CG2 3.3Å; V348-V351 WeakPolarHBondContact O-CG2 3.46Å; V348-S354 WeakPolarHBondContact CG1-O 3.44Å; V348-K357 HydrophobicContact CG2-CB 4.04Å; V348-K358 HydrophobicContact CG2-CB 4.18Å; V348-E383 HydrophobicContact CB-CG 3.88Å; V348-E383 WeakPolarHBondContact CB-OE1 3.25Å; V348-E383 HydrophobicContact CG2-CG 3.87Å; V348-E383 WeakPolarHBondContact CG2-OE1 3.42Å; V348-E383 PolarHBondContact N-OE1 3.18Å
349S88.8Confident93.2Very high127 Ų12749.6 Ų49.689%0.88828%0.284SS*.SBendtrans-63-41.1-176.7-49.20000113.5
350D93.9Very high93.3Very high92 Ų9248 Ų4849%0.49228%0.276SS..SBendtrans-101.781.1170.4178.317.6000110.1V348 K352 G353 S354V348-D350 WeakPolarHBondContact CG1-O 3.18Å; V348-D350 PolarHBondContact O-N 3.23Å; D350-K352 PolarHBondContact O-N 3.2Å; D350-K352 PolarHBondContact OD1-N 3.37Å; D350-G353 PolarHBondContact O-N 2.94Å; D350-G353 PolarHBondContact OD1-N 3.27Å; D350-G353 WeakPolarHBondContact OD2-CA 3.44Å; D350-G353 PolarHBondContact OD2-N 3.4Å; D350-S354 WeakPolarHBondContact O-CB 3.38Å; D350-S354 PolarHBondContact O-N 3.26Å
351V95.7Very high93.7Very high31 Ų3144.5 Ų44.519%0.18826%0.257CS..Hα-helixtrans-55.4-42.1178.2177.20000111V348 G353 S354 W355 E383 Y386V348-V351 VanDerWaalsContact O-CG2 3.3Å; V348-V351 WeakPolarHBondContact O-CG2 3.46Å; V351-G353 PolarHBondContact O-N 2.98Å; V351-S354 PolarHBondContact O-N 3.33Å; V351-W355 HydrophobicContact CG1-CB 4.23Å; V351-W355 WeakPolarHBondContact O-CA 3.23Å; V351-W355 WeakPolarHBondContact O-CB 3.44Å; V351-W355 PolarHBondContact O-N 3.46Å; V351-E383 HydrophobicContact CG1-CG 4.29Å; V351-E383 HydrophobicContact CG2-CG 4.28Å; V351-Y386 HydrophobicContact CG1-CD1 3.94Å; V351-Y386 HydrophobicContact CG1-CG 3.82Å
352K94.9Very high94.1Very high155 Ų15543.2 Ų43.267%0.67425%0.251SS*.Hα-helixtrans-65.6-43.4-175.6-68.4-175.1178.2-179.60112.3D350 Y386D350-K352 PolarHBondContact O-N 3.2Å; D350-K352 PolarHBondContact OD1-N 3.37Å; K352-Y386 HydrophobicContact CB-CE1 4.47Å; K352-Y386 HydrophobicContact CG-CE2 3.92Å
353G94.1Very high94.6Very high54 Ų5438.1 Ų38.156%0.55723%0.225SC*.Hα-helixtrans-81.4-26.1179.900000114.5D350 V351D350-G353 PolarHBondContact O-N 2.94Å; D350-G353 PolarHBondContact OD1-N 3.27Å; D350-G353 WeakPolarHBondContact OD2-CA 3.44Å; D350-G353 PolarHBondContact OD2-N 3.4Å; V351-G353 PolarHBondContact O-N 2.98Å
354S95.6Very high95Very high37 Ų3736.3 Ų36.326%0.25921%0.209SC..Hα-helixtrans-137.814.5-164.1-63.10000115.7V348 D350 V351 I356 K357V348-S354 WeakPolarHBondContact CG1-O 3.44Å; D350-S354 WeakPolarHBondContact O-CB 3.38Å; D350-S354 PolarHBondContact O-N 3.26Å; V351-S354 PolarHBondContact O-N 3.33Å; S354-I356 PolarHBondContact O-N 3.14Å; S354-K357 VanDerWaalsContact O-CB 3.32Å; S354-K357 WeakPolarHBondContact O-CB 3.44Å; S354-K357 PolarHBondContact O-N 3.04Å
355W97.4Very high95Very high15 Ų1537.2 Ų37.26%0.05721%0.214CC..G310 helixtrans-46.3-36.7-178.265.9-86.8000114.2I318 V351 K357 K358 I379 E383 Y386 M387 L390 V395 A398I318-W355 HydrophobicContact CD1-CH2 4.45Å; I318-W355 HydrophobicContact CD1-CZ3 4.25Å; V351-W355 HydrophobicContact CG1-CB 4.23Å; V351-W355 WeakPolarHBondContact O-CA 3.23Å; V351-W355 WeakPolarHBondContact O-CB 3.44Å; V351-W355 PolarHBondContact O-N 3.46Å; W355-K357 PolarHBondContact O-N 3.01Å; W355-K357 VanDerWaalsContact O-N 3.09Å; W355-K358 VanDerWaalsContact O-CB 3.29Å; W355-K358 WeakPolarHBondContact O-CB 3.39Å; W355-K358 PolarHBondContact O-N 2.89Å; W355-I379 HydrophobicContact CE3-CD1 3.46Å; W355-I379 VanDerWaalsContact CE3-CD1 3.46Å; W355-I379 HydrophobicContact CZ3-CD1 3.69Å; W355-E383 HydrophobicContact CB-CB 3.98Å; W355-E383 HydrophobicContact CB-CG 4.36Å; W355-Y386 HydrophobicContact CB-CD1 3.9Å; W355-Y386 AromaticContact CD1-CD1 3.71Å; W355-Y386 AromaticContact CD1-CE1 3.6Å; W355-Y386 AromaticContact CG-CD1 3.85Å; W355-Y386 HydrophobicContact CG-CD1 3.85Å; W355-Y386 HydrophobicContact CG-CE1 4.21Å; W355-M387 HydrophobicContact CD2-CB 4.3Å; W355-M387 HydrophobicContact CE3-CB 3.83Å; W355-M387 HydrophobicContact CE3-CG 4.14Å; W355-M387 HydrophobicContact CH2-CB 4.22Å; W355-M387 HydrophobicContact CH2-CG 3.64Å; W355-M387 HydrophobicContact CH2-SD 4.02Å; W355-M387 HydrophobicContact CZ2-CG 4.27Å; W355-M387 HydrophobicContact CZ3-CB 3.8Å; W355-M387 HydrophobicContact CZ3-CG 3.57Å; W355-M387 HydrophobicContact CZ3-SD 3.71Å; W355-L390 HydrophobicContact CZ2-CD1 4.02Å; W355-V395 HydrophobicContact CH2-CG1 4.24Å; W355-A398 HydrophobicContact CH2-CB 4.36Å; W355-A398 HydrophobicContact CZ2-CB 3.65Å
356I97.4Very high94.9Very high23 Ų2338.7 Ų38.712%0.11822%0.218CC..G310 helixtrans-60.9-21.4-178.8-164.467.7000112.6S354 K358 L359 V399 L402S354-I356 PolarHBondContact O-N 3.14Å; I356-K358 PolarHBondContact O-N 3.44Å; I356-L359 WeakPolarHBondContact O-CB 3.39Å; I356-L359 PolarHBondContact O-N 3.21Å; I356-L359 VanDerWaalsContact O-N 3.09Å; I356-V399 HydrophobicContact CD1-CG2 4.28Å; I356-L402 HydrophobicContact CD1-CD2 4.18Å; I356-L402 HydrophobicContact CG1-CB 4.26Å; I356-L402 HydrophobicContact CG1-CD1 4.25Å; I356-L402 HydrophobicContact CG1-CD2 3.99Å; I356-L402 HydrophobicContact CG1-CG 4.42Å
357K96.4Very high94.8Very high32 Ų3240.9 Ų40.914%0.13923%0.232CC..G310 helixtrans-63.9-19.4174.2-68.7-163.8170.8-159.50113.4K191 W338 D340 V348 S354 W355 L359K191-K357 WeakPolarHBondContact CD-O 3.43Å; K191-K357 WeakPolarHBondContact CE-O 3.34Å; K191-K357 PolarHBondContact NZ-O 2.9Å; W338-K357 HydrophobicContact CD2-CB 4.49Å; W338-K357 HydrophobicContact CD2-CG 4.11Å; W338-K357 HydrophobicContact CE3-CD 4.29Å; W338-K357 HydrophobicContact CE3-CG 4.08Å; W338-K357 HydrophobicContact CH2-CG 3.86Å; W338-K357 HydrophobicContact CZ2-CB 4.25Å; W338-K357 HydrophobicContact CZ2-CG 3.91Å; W338-K357 HydrophobicContact CZ3-CD 4.44Å; W338-K357 HydrophobicContact CZ3-CG 3.96Å; W338-K357 PolarHBondContact NE1-O 2.78Å; D340-K357 PolarHBondContact O-NZ 2.8Å; D340-K357 VanDerWaalsContact O-NZ 3.14Å; D340-K357 IonicContact OD1-NZ 2.81Å; D340-K357 PolarHBondContact OD1-NZ 2.99Å; D340-K357 IonicContact OD2-NZ 3.44Å; D340-K357 PolarHBondContact OD2-NZ 3.43Å; V348-K357 HydrophobicContact CG2-CB 4.04Å; S354-K357 VanDerWaalsContact O-CB 3.32Å; S354-K357 WeakPolarHBondContact O-CB 3.44Å; S354-K357 PolarHBondContact O-N 3.04Å; W355-K357 PolarHBondContact O-N 3.01Å; W355-K357 VanDerWaalsContact O-N 3.09Å; K357-L359 VanDerWaalsContact C-N 3.3Å
358K97.1Very high94.8Very high0 Ų039.7 Ų39.70%023%0.23CC..G310 helixtrans-71.1-25173.8-171.471177.7-169.80112.6K191 H200 D346 V348 W355 I356 F360 I379 A380 E383K191-K358 HydrophobicContact CG-CD 4.38Å; H200-K358 PolarHBondContact O-NZ 2.64Å; D346-K358 VanDerWaalsContact O-CD 3.31Å; D346-K358 WeakPolarHBondContact O-CD 3.25Å; D346-K358 PolarHBondContact O-NZ 2.66Å; V348-K358 HydrophobicContact CG2-CB 4.18Å; W355-K358 VanDerWaalsContact O-CB 3.29Å; W355-K358 WeakPolarHBondContact O-CB 3.39Å; W355-K358 PolarHBondContact O-N 2.89Å; I356-K358 PolarHBondContact O-N 3.44Å; K358-F360 PolarHBondContact O-N 2.78Å; K358-I379 HydrophobicContact CB-CD1 4.18Å; K358-I379 HydrophobicContact CB-CG1 4.05Å; K358-I379 HydrophobicContact CG-CG1 3.97Å; K358-A380 VanDerWaalsContact CE-O 3.29Å; K358-A380 WeakPolarHBondContact CE-O 3.48Å; K358-A380 WeakPolarHBondContact CG-O 3.5Å; K358-E383 HydrophobicContact CB-CB 3.65Å; K358-E383 HydrophobicContact CB-CG 3.72Å; K358-E383 HydrophobicContact CD-CG 4.44Å; K358-E383 HydrophobicContact CG-CB 3.93Å; K358-E383 HydrophobicContact CG-CG 4.09Å
359L96.9Very high94.8Very high0 Ų047.3 Ų47.30%027%0.265CS..  trans-70.5113177-169.9140.9000109.5I318 L336 I356 K357 F362 L402I318-L359 HydrophobicContact CD1-CD1 3.69Å; I318-L359 HydrophobicContact CG1-CD1 4.47Å; L336-L359 HydrophobicContact CD1-CD2 3.76Å; I356-L359 WeakPolarHBondContact O-CB 3.39Å; I356-L359 PolarHBondContact O-N 3.21Å; I356-L359 VanDerWaalsContact O-N 3.09Å; K357-L359 VanDerWaalsContact C-N 3.3Å; L359-F362 HydrophobicContact CD1-CE1 4.37Å; L359-F362 HydrophobicContact CD1-CZ 4.45Å; L359-F362 HydrophobicContact CD2-CD2 4.41Å; L359-F362 HydrophobicContact CD2-CE1 4.18Å; L359-F362 HydrophobicContact CD2-CE2 3.83Å; L359-F362 HydrophobicContact CD2-CZ 3.68Å; L359-L402 HydrophobicContact CD2-CD2 3.82Å
360F94.9Very high94.9Very high26 Ų2645.5 Ų45.511%0.11424%0.239CC..  trans-87.7-18.6-175.373.9-92.1000113.2K191 R192 C195 L336 K358 W378K191-F360 HydrophobicContact CB-CB 4.03Å; R192-F360 HydrophobicContact CB-CD1 4.06Å; R192-F360 HydrophobicContact CB-CD2 3.75Å; R192-F360 HydrophobicContact CB-CE1 4.12Å; R192-F360 HydrophobicContact CB-CE2 3.84Å; R192-F360 HydrophobicContact CB-CG 3.87Å; R192-F360 HydrophobicContact CB-CZ 4.03Å; R192-F360 HydrophobicContact CG-CD2 4.15Å; R192-F360 HydrophobicContact CG-CE1 4.23Å; R192-F360 HydrophobicContact CG-CE2 3.7Å; R192-F360 HydrophobicContact CG-CZ 3.75Å; C195-F360 HydrophobicContact CB-CE1 3.95Å; L336-F360 PolarHBondContact N-O 3.43Å; K358-F360 PolarHBondContact O-N 2.78Å; F360-W378 HydrophobicContact CE1-CB 3.69Å; F360-W378 HydrophobicContact CE1-CG 4.41Å; F360-W378 HydrophobicContact CZ-CB 4.22Å; F360-W378 HydrophobicContact CZ-CG 4.49Å
361G97Very high94.9Very high0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans168.4-176-171.700000114.7I334 G377I334-G361 CarbonylContact O-C 3.6Å; I334-G361 WeakPolarHBondContact O-CA 3.36Å; G361-G377 WeakPolarHBondContact O-CA 3.47Å
362F98.1Very high94.9Very high3 Ų341.6 Ų41.61%0.01322%0.22CC..EExtended strand (participates in β ladder)trans-130.5146.2179.4-59-88.2000110.9V320 V333 I334 L336 L359 L375 C376 L402V320-F362 HydrophobicContact CG2-CE1 3.99Å; V333-F362 CarbonylContact C-O 3.58Å; V333-F362 WeakPolarHBondContact CA-O 3.45Å; I334-F362 HydrophobicContact CB-CB 4.29Å; I334-F362 PolarHBondContact N-O 2.97Å; I334-F362 PolarHBondContact O-N 3.38Å; L336-F362 HydrophobicContact CD1-CE2 3.95Å; L359-F362 HydrophobicContact CD1-CE1 4.37Å; L359-F362 HydrophobicContact CD1-CZ 4.45Å; L359-F362 HydrophobicContact CD2-CD2 4.41Å; L359-F362 HydrophobicContact CD2-CE1 4.18Å; L359-F362 HydrophobicContact CD2-CE2 3.83Å; L359-F362 HydrophobicContact CD2-CZ 3.68Å; F362-L375 HydrophobicContact CB-CB 4.07Å; F362-L375 HydrophobicContact CB-CD1 4.11Å; F362-L375 HydrophobicContact CB-CD2 4.44Å; F362-L375 HydrophobicContact CB-CG 4.45Å; F362-L375 HydrophobicContact CD1-CB 3.92Å; F362-L375 HydrophobicContact CD1-CD1 4.25Å; F362-L375 HydrophobicContact CD2-CD1 4.32Å; F362-L375 HydrophobicContact CG-CB 4.21Å; F362-L375 HydrophobicContact CG-CD1 3.99Å; F362-C376 CarbonylContact C-O 3.47Å; F362-C376 WeakPolarHBondContact CA-O 3.37Å; F362-L402 HydrophobicContact CE2-CD2 4.33Å; F362-L402 HydrophobicContact CZ-CD2 4.14Å
363T96.6Very high94.9Very high22 Ų2235.6 Ų35.614%0.13520%0.196CC..EExtended strand (participates in β ladder)trans-95.3136.7161.2-49.40000108.7L375 C376 W378T363-L375 CarbonylContact O-C 3.54Å; T363-L375 WeakPolarHBondContact O-CA 3.49Å; T363-C376 PolarHBondContact N-O 2.87Å; T363-C376 PolarHBondContact O-N 3.12Å; T363-W378 PolarHBondContact OG1-NE1 3.08Å; T363-W378 VanDerWaalsContact OG1-NE1 3.16Å
364V97Very high95.1Very high6 Ų633 Ų334%0.03617%0.169CC..EExtended strand (participates in β ladder)trans-79.9125.8171.2-176.30000108.2W327 C331 D332 I334 K366 L375W327-V364 HydrophobicContact CG-CG2 4.43Å; W327-V364 HydrophobicContact CZ2-CG1 4.37Å; C331-V364 WeakPolarHBondContact O-CG2 3.37Å; D332-V364 PolarHBondContact O-N 2.9Å; I334-V364 HydrophobicContact CD1-CG2 4.47Å; I334-V364 HydrophobicContact CG1-CG2 4.44Å; V364-K366 HydrophobicContact CG1-CD 4.3Å; V364-K366 PolarHBondContact O-N 3.14Å; V364-L375 HydrophobicContact CB-CD2 4.25Å; V364-L375 HydrophobicContact CG1-CD2 4.5Å; V364-L375 HydrophobicContact CG2-CD2 3.71Å
365L94.7Very high95.2Very high27 Ų2731.2 Ų31.214%0.14116%0.157CC..PPolyproline II helixtrans-75.9118.8177.8-89.767.4000109.7I64 F319 Y371 L374 C376I64-L365 HydrophobicContact CG2-CD2 4.03Å; F319-L365 HydrophobicContact CD1-CD2 4.44Å; F319-L365 HydrophobicContact CE1-CD2 4.27Å; L365-Y371 HydrophobicContact CB-CD1 4.36Å; L365-Y371 HydrophobicContact CB-CD2 3.89Å; L365-Y371 HydrophobicContact CB-CG 3.73Å; L365-Y371 HydrophobicContact CD2-CD1 4.12Å; L365-Y371 HydrophobicContact CD2-CE1 4.49Å; L365-Y371 HydrophobicContact CD2-CG 4.34Å; L365-L374 HydrophobicContact CB-CB 4.42Å; L365-L374 HydrophobicContact CD2-CD2 3.66Å; L365-L374 HydrophobicContact CD2-CG 4.04Å; L365-L374 PolarHBondContact N-O 2.97Å; L365-C376 HydrophobicContact CD1-CB 3.45Å; L365-C376 VanDerWaalsContact CD1-CB 3.45Å
366K90.6Very high95.3Very high67 Ų6730.6 Ų30.629%0.29116%0.155SC..SBendtrans-116.8144.8-176.9-65.3-71.5-170.71740111.4A329 C331 V364 Y371A329-K366 PolarHBondContact O-NZ 2.98Å; C331-K366 WeakPolarHBondContact O-CE 3.15Å; C331-K366 PolarHBondContact O-NZ 2.83Å; V364-K366 HydrophobicContact CG1-CD 4.3Å; V364-K366 PolarHBondContact O-N 3.14Å; K366-Y371 VanDerWaalsContact C-CD2 3.47Å; K366-Y371 WeakPolarHBondContact O-CD2 3.26Å; K366-Y371 WeakPolarHBondContact O-CE2 3.38Å
367P90.8Very high95.3Very high48 Ų4829.5 Ų29.531%0.31215%0.149SC..  cis-82.2152.46.433.1-35.6000113E369 R370 Y371P367-E369 WeakPolarHBondContact CB-OE2 2.99Å; P367-E369 PolarHBondContact O-N 2.93Å; P367-R370 HydrophobicContact CG-CB 3.81Å; P367-R370 WeakPolarHBondContact O-CB 3.34Å; P367-R370 PolarHBondContact O-N 3.33Å; P367-Y371 WeakPolarHBondContact O-CD2 3.34Å; P367-Y371 PolarHBondContact O-N 3.3Å; P367-Y371 VanDerWaalsContact O-N 3.11Å
368T91.3Very high95.3Very high55 Ų5529.9 Ų29.934%0.33715%0.15SC..Hα-helixtrans-60.5-31.6-177.4-54.70000111.8R370 Y371 G372T368-R370 PolarHBondContact O-N 3.07Å; T368-Y371 PolarHBondContact O-N 2.69Å; T368-G372 WeakPolarHBondContact O-CA 3.31Å; T368-G372 PolarHBondContact O-N 3.5Å
369E91.5Very high95.3Very high174 Ų17429.9 Ų29.981%0.81315%0.15SC*.Hα-helixtrans-64-27.1176.6-60.776.1-168.200112.3P367P367-E369 WeakPolarHBondContact CB-OE2 2.99Å; P367-E369 PolarHBondContact O-N 2.93Å
370R91.2Very high95.3Very high89 Ų8929.9 Ų29.934%0.33615%0.15SC..Hα-helixtrans-90.2-39.9179.9-173.9-174.7-65.1163.3-0.5112D91 P367 T368D91-R370 IonicContact OD1-NH2 3.64Å; D91-R370 PolarHBondContact OD1-NH2 3.17Å; D91-R370 IonicContact OD2-NH1 2.66Å; D91-R370 IonicContact OD2-NH2 3.1Å; P367-R370 HydrophobicContact CG-CB 3.81Å; P367-R370 WeakPolarHBondContact O-CB 3.34Å; P367-R370 PolarHBondContact O-N 3.33Å; T368-R370 PolarHBondContact O-N 3.07Å
371Y93.9Very high95.4Very high18 Ų1828.7 Ų28.77%0.07115%0.145CC..Hα-helixtrans-110.4-11.2-170.4-59.7-67.4000114.3K62 I63 L365 K366 P367 T368 L374K62-Y371 VanDerWaalsContact CD-O 3.25Å; K62-Y371 WeakPolarHBondContact CD-O 3.26Å; K62-Y371 WeakPolarHBondContact CE-O 3.43Å; K62-Y371 PolarHBondContact NZ-O 2.82Å; I63-Y371 WeakPolarHBondContact O-CE1 3.38Å; L365-Y371 HydrophobicContact CB-CD1 4.36Å; L365-Y371 HydrophobicContact CB-CD2 3.89Å; L365-Y371 HydrophobicContact CB-CG 3.73Å; L365-Y371 HydrophobicContact CD2-CD1 4.12Å; L365-Y371 HydrophobicContact CD2-CE1 4.49Å; L365-Y371 HydrophobicContact CD2-CG 4.34Å; K366-Y371 VanDerWaalsContact C-CD2 3.47Å; K366-Y371 WeakPolarHBondContact O-CD2 3.26Å; K366-Y371 WeakPolarHBondContact O-CE2 3.38Å; P367-Y371 WeakPolarHBondContact O-CD2 3.34Å; P367-Y371 PolarHBondContact O-N 3.3Å; P367-Y371 VanDerWaalsContact O-N 3.11Å; T368-Y371 PolarHBondContact O-N 2.69Å; Y371-L374 WeakPolarHBondContact O-CB 3.11Å
372G94.6Very high95.4Very high22 Ų2232.8 Ų32.823%0.22716%0.164CC..  trans60.2-145.4-170.800000112T368 L374T368-G372 WeakPolarHBondContact O-CA 3.31Å; T368-G372 PolarHBondContact O-N 3.5Å; G372-L374 VanDerWaalsContact C-N 3.31Å; G372-L374 PolarHBondContact O-N 3.17Å; G372-L374 VanDerWaalsContact O-N 3.09Å
373N96.9Very high95.4Very high29 Ų2932.7 Ų32.716%0.15516%0.163CC..SBendtrans-8867.4-179.5-55.2-40.9000110.9E321 F322 D323 P325 W327E321-N373 WeakPolarHBondContact CA-O 3.29Å; F322-N373 HydrophobicContact CB-CB 4.29Å; F322-N373 PolarHBondContact N-O 2.82Å; F322-N373 WeakPolarHBondContact O-CB 3.42Å; D323-N373 PolarHBondContact O-ND2 2.94Å; P325-N373 WeakPolarHBondContact CD-ND2 3.41Å; W327-N373 HydrophobicContact CH2-CB 3.84Å; W327-N373 HydrophobicContact CZ2-CB 4.07Å
374L97.6Very high95.5Very high0 Ų031.6 Ų31.60%016%0.157CC..EExtended strand (participates in β ladder)trans-115.6126.6-174.9-17659.2000111.8L59 K62 I64 F319 E321 L365 Y371 G372L59-L374 HydrophobicContact CD2-CD1 3.94Å; L59-L374 HydrophobicContact CD2-CD2 4.47Å; K62-L374 HydrophobicContact CD-CD2 4.29Å; I64-L374 HydrophobicContact CG2-CD2 3.79Å; F319-L374 HydrophobicContact CB-CD1 4.26Å; E321-L374 HydrophobicContact CB-CD1 4.08Å; L365-L374 HydrophobicContact CB-CB 4.42Å; L365-L374 HydrophobicContact CD2-CD2 3.66Å; L365-L374 HydrophobicContact CD2-CG 4.04Å; L365-L374 PolarHBondContact N-O 2.97Å; Y371-L374 WeakPolarHBondContact O-CB 3.11Å; G372-L374 VanDerWaalsContact C-N 3.31Å; G372-L374 PolarHBondContact O-N 3.17Å; G372-L374 VanDerWaalsContact O-N 3.09Å
375L98.2Very high95.5Very high0 Ų032.9 Ų32.90%016%0.162CC..EExtended strand (participates in β ladder)trans-107.1150.9174.7-61.1-174.7000111.1F319 V320 F322 W326 W327 I334 F362 T363 V364F319-L375 CarbonylContact C-O 3.35Å; F319-L375 VanDerWaalsContact CA-O 3.26Å; F319-L375 WeakPolarHBondContact CA-O 3.07Å; V320-L375 HydrophobicContact CB-CB 4.43Å; V320-L375 PolarHBondContact N-O 3.48Å; V320-L375 PolarHBondContact O-N 3.22Å; F322-L375 HydrophobicContact CE2-CD1 3.84Å; F322-L375 HydrophobicContact CE2-CG 4.24Å; W326-L375 HydrophobicContact CH2-CD1 4.08Å; W326-L375 HydrophobicContact CZ2-CD1 3.37Å; W327-L375 HydrophobicContact CD2-CD2 4.14Å; W327-L375 HydrophobicContact CE3-CD1 4.09Å; W327-L375 HydrophobicContact CE3-CD2 4.06Å; W327-L375 HydrophobicContact CE3-CG 4.32Å; W327-L375 HydrophobicContact CH2-CD1 4.34Å; W327-L375 HydrophobicContact CH2-CD2 3.79Å; W327-L375 HydrophobicContact CH2-CG 3.81Å; W327-L375 HydrophobicContact CZ2-CD2 3.86Å; W327-L375 HydrophobicContact CZ2-CG 4.39Å; W327-L375 HydrophobicContact CZ3-CD1 3.78Å; W327-L375 HydrophobicContact CZ3-CD2 3.89Å; W327-L375 HydrophobicContact CZ3-CG 3.78Å; I334-L375 HydrophobicContact CD1-CD1 3.94Å; I334-L375 HydrophobicContact CD1-CD2 3.95Å; F362-L375 HydrophobicContact CB-CB 4.07Å; F362-L375 HydrophobicContact CB-CD1 4.11Å; F362-L375 HydrophobicContact CB-CD2 4.44Å; F362-L375 HydrophobicContact CB-CG 4.45Å; F362-L375 HydrophobicContact CD1-CB 3.92Å; F362-L375 HydrophobicContact CD1-CD1 4.25Å; F362-L375 HydrophobicContact CD2-CD1 4.32Å; F362-L375 HydrophobicContact CG-CB 4.21Å; F362-L375 HydrophobicContact CG-CD1 3.99Å; T363-L375 CarbonylContact O-C 3.54Å; T363-L375 WeakPolarHBondContact O-CA 3.49Å; V364-L375 HydrophobicContact CB-CD2 4.25Å; V364-L375 HydrophobicContact CG1-CD2 4.5Å; V364-L375 HydrophobicContact CG2-CD2 3.71Å
376C98.1Very high95.7Very high2 Ų234.3 Ų34.31%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-121.1108.5167.3174.30000110F319 F362 T363 L365 W378F319-C376 HydrophobicContact CD1-CB 4.06Å; F319-C376 HydrophobicContact CE1-CB 3.87Å; F362-C376 CarbonylContact C-O 3.47Å; F362-C376 WeakPolarHBondContact CA-O 3.37Å; T363-C376 PolarHBondContact N-O 2.87Å; T363-C376 PolarHBondContact O-N 3.12Å; L365-C376 HydrophobicContact CD1-CB 3.45Å; L365-C376 VanDerWaalsContact CD1-CB 3.45Å; C376-W378 PolarHBondContact O-NE1 3.26Å
377G98.1Very high96.1Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-87148.1173.200000111.2K317 I318 G361K317-G377 CarbonylContact C-O 3.57Å; K317-G377 VanDerWaalsContact CA-O 3.27Å; K317-G377 WeakPolarHBondContact CA-O 3.18Å; I318-G377 PolarHBondContact N-O 3.33Å; I318-G377 PolarHBondContact O-N 2.67Å; G361-G377 WeakPolarHBondContact O-CA 3.47Å
378W95.8Very high96.4Very high39 Ų3929 Ų2915%0.14814%0.139CC..EExtended strand (participates in β ladder)trans-118.6134.1-176.1-57.687.2000110.3N69 C195 K317 F360 T363 C376N69-W378 HydrophobicContact CB-CH2 4.37Å; C195-W378 HydrophobicContact CB-CB 4.41Å; K317-W378 HydrophobicContact CD-CH2 4.24Å; K317-W378 HydrophobicContact CD-CZ3 4.15Å; K317-W378 VanDerWaalsContact CE-CH2 3.44Å; K317-W378 HydrophobicContact CG-CE3 4.01Å; K317-W378 HydrophobicContact CG-CH2 4.44Å; K317-W378 HydrophobicContact CG-CZ3 3.94Å; F360-W378 HydrophobicContact CE1-CB 3.69Å; F360-W378 HydrophobicContact CE1-CG 4.41Å; F360-W378 HydrophobicContact CZ-CB 4.22Å; F360-W378 HydrophobicContact CZ-CG 4.49Å; T363-W378 PolarHBondContact OG1-NE1 3.08Å; T363-W378 VanDerWaalsContact OG1-NE1 3.16Å; C376-W378 PolarHBondContact O-NE1 3.26Å
379I97.6Very high96.7Very high0 Ų030.6 Ų30.60%015%0.148CC..EExtended strand (participates in β ladder)trans-145.6126.6-179.3-171.6171000111.5N315 N316 I318 W355 K358 E383 S384 M387N315-I379 PolarHBondContact OD1-O 2.98Å; N316-I379 HydrophobicContact CB-CG2 4.19Å; N316-I379 PolarHBondContact N-O 3.35Å; N316-I379 PolarHBondContact O-N 2.86Å; I318-I379 HydrophobicContact CD1-CG2 4.29Å; I318-I379 HydrophobicContact CG1-CG2 4.33Å; W355-I379 HydrophobicContact CE3-CD1 3.46Å; W355-I379 VanDerWaalsContact CE3-CD1 3.46Å; W355-I379 HydrophobicContact CZ3-CD1 3.69Å; K358-I379 HydrophobicContact CB-CD1 4.18Å; K358-I379 HydrophobicContact CB-CG1 4.05Å; K358-I379 HydrophobicContact CG-CG1 3.97Å; I379-E383 HydrophobicContact CD1-CB 4.17Å; I379-E383 HydrophobicContact CG1-CB 4.5Å; I379-S384 VanDerWaalsContact O-CB 3.25Å; I379-S384 WeakPolarHBondContact O-CB 3.31Å; I379-S384 PolarHBondContact O-OG 2.74Å; I379-M387 HydrophobicContact CG2-CE 3.82Å; I379-M387 HydrophobicContact CG2-SD 4.03Å
380A97.3Very high97.1Very high0 Ų022.9 Ų22.90%011%0.112CC..EExtended strand (participates in β ladder)trans-117.3164.2-17700000113.4C194 C195 T314 N315 K358C194-A380 HydrophobicContact CB-CB 4.37Å; C195-A380 HydrophobicContact CB-CB 4.37Å; T314-A380 CarbonylContact O-C 2.96Å; T314-A380 WeakPolarHBondContact O-CA 3.41Å; N315-A380 HydrophobicContact CB-CB 4.46Å; K358-A380 VanDerWaalsContact CE-O 3.29Å; K358-A380 WeakPolarHBondContact CE-O 3.48Å; K358-A380 WeakPolarHBondContact CG-O 3.5Å
381G96.9Very high97.3Very high1 Ų122.1 Ų22.11%0.0112%0.119CC..SBendtrans78.8-163.2172.500000115.2T314 E383 S384 E385T314-G381 PolarHBondContact O-N 3.37Å; G381-E383 PolarHBondContact O-N 3.45Å; G381-S384 WeakPolarHBondContact O-CA 3.27Å; G381-S384 WeakPolarHBondContact O-CB 3.49Å; G381-S384 PolarHBondContact O-N 3.24Å; G381-E385 PolarHBondContact O-N 3.22Å; G381-E385 VanDerWaalsContact O-N 3.1Å
382H97.7Very high97.4Very high87 Ų8727.3 Ų27.340%0.40314%0.144SC..Hα-helixtrans-59.4-26.2-179.5-62.5-40.2000113.8H200 S384 E385 Y386H200-H382 AromaticContact CD2-CD2 3.29Å; H200-H382 PolarHBondContact CD2-CD2 3.1Å; H200-H382 AromaticContact CD2-NE2 3.73Å; H200-H382 AromaticContact CE1-CD2 3.62Å; H200-H382 AromaticContact CG-CD2 3.46Å; H200-H382 VanDerWaalsContact CG-CD2 3.46Å; H200-H382 AromaticContact CG-CG 3.96Å; H200-H382 AromaticContact CG-NE2 3.94Å; H200-H382 AromaticContact ND1-CD2 3.66Å; H200-H382 AromaticContact ND1-CG 3.87Å; H200-H382 PolarHBondContact ND1-N 3.45Å; H200-H382 AromaticContact NE2-CD2 3.41Å; H200-H382 PolarHBondContact NE2-CD2 2.84Å; H382-S384 VanDerWaalsContact C-N 3.34Å; H382-E385 IonicContact CE1-OE2 3.95Å; H382-E385 IonicContact CG-OE2 3.31Å; H382-E385 IonicContact ND1-OE2 2.7Å; H382-E385 PolarHBondContact ND1-OE2 3.18Å; H382-E385 PolarHBondContact O-N 3.12Å; H382-Y386 WeakPolarHBondContact O-CB 3.37Å; H382-Y386 PolarHBondContact O-N 2.85Å
383E98Very high97.5Very high0 Ų034.2 Ų34.20%017%0.17CC..Hα-helixtrans-67.1-38.3173.5-59.389.2162.800111.7H200 V348 V351 W355 K358 I379 G381 M387H200-E383 IonicContact CE1-OE1 2.68Å; H200-E383 IonicContact CE1-OE2 3.38Å; H200-E383 PolarHBondContact CE1-OE2 2.9Å; H200-E383 IonicContact ND1-OE2 3.21Å; H200-E383 PolarHBondContact ND1-OE2 3.04Å; H200-E383 VanDerWaalsContact ND1-OE2 3.12Å; V348-E383 HydrophobicContact CB-CG 3.88Å; V348-E383 WeakPolarHBondContact CB-OE1 3.25Å; V348-E383 HydrophobicContact CG2-CG 3.87Å; V348-E383 WeakPolarHBondContact CG2-OE1 3.42Å; V348-E383 PolarHBondContact N-OE1 3.18Å; V351-E383 HydrophobicContact CG1-CG 4.29Å; V351-E383 HydrophobicContact CG2-CG 4.28Å; W355-E383 HydrophobicContact CB-CB 3.98Å; W355-E383 HydrophobicContact CB-CG 4.36Å; K358-E383 HydrophobicContact CB-CB 3.65Å; K358-E383 HydrophobicContact CB-CG 3.72Å; K358-E383 HydrophobicContact CD-CG 4.44Å; K358-E383 HydrophobicContact CG-CB 3.93Å; K358-E383 HydrophobicContact CG-CG 4.09Å; I379-E383 HydrophobicContact CD1-CB 4.17Å; I379-E383 HydrophobicContact CG1-CB 4.5Å; G381-E383 PolarHBondContact O-N 3.45Å; E383-M387 WeakPolarHBondContact O-CB 3.48Å; E383-M387 PolarHBondContact O-N 3.32Å
384S97.6Very high97.6Very high0 Ų037.8 Ų37.80%019%0.186CC..Hα-helixtrans-64.8-46.9172.5-160.90000111N316 I379 G381 H382 Y386 M387 E388N316-S384 VanDerWaalsContact CB-OG 3.26Å; N316-S384 WeakPolarHBondContact CB-OG 3.5Å; N316-S384 PolarHBondContact N-OG 3.04Å; N316-S384 PolarHBondContact ND2-OG 3.29Å; I379-S384 VanDerWaalsContact O-CB 3.25Å; I379-S384 WeakPolarHBondContact O-CB 3.31Å; I379-S384 PolarHBondContact O-OG 2.74Å; G381-S384 WeakPolarHBondContact O-CA 3.27Å; G381-S384 WeakPolarHBondContact O-CB 3.49Å; G381-S384 PolarHBondContact O-N 3.24Å; H382-S384 VanDerWaalsContact C-N 3.34Å; S384-Y386 VanDerWaalsContact C-N 3.34Å; S384-Y386 PolarHBondContact O-N 3.49Å; S384-M387 WeakPolarHBondContact O-CB 3.29Å; S384-M387 PolarHBondContact O-N 2.95Å; S384-E388 WeakPolarHBondContact O-CG 3.08Å; S384-E388 PolarHBondContact O-N 3.27Å; S384-E388 VanDerWaalsContact O-N 3.16Å
385E98.1Very high97.6Very high33 Ų3337.8 Ų37.815%0.15419%0.186CC..Hα-helixtrans-62-42.2178.6-62.3171.9176.700111.5T314 G381 H382 E388 F423T314-E385 HydrophobicContact CG2-CG 3.98Å; T314-E385 WeakPolarHBondContact OG1-CG 3.02Å; T314-E385 PolarHBondContact OG1-OE1 3.33Å; G381-E385 PolarHBondContact O-N 3.22Å; G381-E385 VanDerWaalsContact O-N 3.1Å; H382-E385 IonicContact CE1-OE2 3.95Å; H382-E385 IonicContact CG-OE2 3.31Å; H382-E385 IonicContact ND1-OE2 2.7Å; H382-E385 PolarHBondContact ND1-OE2 3.18Å; H382-E385 PolarHBondContact O-N 3.12Å; E385-E388 WeakPolarHBondContact O-CB 3.42Å; E385-E388 PolarHBondContact O-N 3.21Å; E385-F423 HydrophobicContact CB-CD1 3.95Å; E385-F423 HydrophobicContact CB-CE1 4.29Å; E385-F423 HydrophobicContact CB-CG 4.18Å; E385-F423 HydrophobicContact CG-CB 3.94Å; E385-F423 HydrophobicContact CG-CD1 3.89Å; E385-F423 HydrophobicContact CG-CD2 3.83Å; E385-F423 HydrophobicContact CG-CE1 4.31Å; E385-F423 HydrophobicContact CG-CE2 4.26Å; E385-F423 HydrophobicContact CG-CG 3.62Å; E385-F423 HydrophobicContact CG-CZ 4.48Å; E385-F423 WeakPolarHBondContact OE1-CD2 3.41Å
386Y98.4Very high97.6Very high57 Ų5739.7 Ų39.722%0.22420%0.198CC..Hα-helixtrans-63.9-45.1175.1178-112.5000111.8V351 K352 W355 H382 S384 E388 T389 L390V351-Y386 HydrophobicContact CG1-CD1 3.94Å; V351-Y386 HydrophobicContact CG1-CG 3.82Å; K352-Y386 HydrophobicContact CB-CE1 4.47Å; K352-Y386 HydrophobicContact CG-CE2 3.92Å; W355-Y386 HydrophobicContact CB-CD1 3.9Å; W355-Y386 AromaticContact CD1-CD1 3.71Å; W355-Y386 AromaticContact CD1-CE1 3.6Å; W355-Y386 AromaticContact CG-CD1 3.85Å; W355-Y386 HydrophobicContact CG-CD1 3.85Å; W355-Y386 HydrophobicContact CG-CE1 4.21Å; H382-Y386 WeakPolarHBondContact O-CB 3.37Å; H382-Y386 PolarHBondContact O-N 2.85Å; S384-Y386 VanDerWaalsContact C-N 3.34Å; S384-Y386 PolarHBondContact O-N 3.49Å; Y386-E388 PolarHBondContact O-N 3.25Å; Y386-T389 WeakPolarHBondContact O-CB 3.1Å; Y386-T389 PolarHBondContact O-N 3.26Å; Y386-T389 PolarHBondContact O-OG1 3.43Å; Y386-L390 HydrophobicContact CD1-CD1 4.4Å; Y386-L390 HydrophobicContact CE1-CD1 4.03Å; Y386-L390 HydrophobicContact CE1-CD2 3.91Å; Y386-L390 HydrophobicContact CE1-CG 4.28Å; Y386-L390 HydrophobicContact CE2-CD2 4.09Å
387M98.3Very high97.6Very high0 Ų045.2 Ų45.20%022%0.223CC..Hα-helixtrans-54.7-37.5176.1178-159.861.600112N316 I318 W355 I379 E383 S384 T389 L390 V395 R419N316-M387 HydrophobicContact CB-CE 3.79Å; I318-M387 HydrophobicContact CD1-SD 3.37Å; I318-M387 WeakPolarHBondContact CD1-SD 3.39Å; I318-M387 HydrophobicContact CG1-CE 4.33Å; I318-M387 HydrophobicContact CG1-SD 3.65Å; W355-M387 HydrophobicContact CD2-CB 4.3Å; W355-M387 HydrophobicContact CE3-CB 3.83Å; W355-M387 HydrophobicContact CE3-CG 4.14Å; W355-M387 HydrophobicContact CH2-CB 4.22Å; W355-M387 HydrophobicContact CH2-CG 3.64Å; W355-M387 HydrophobicContact CH2-SD 4.02Å; W355-M387 HydrophobicContact CZ2-CG 4.27Å; W355-M387 HydrophobicContact CZ3-CB 3.8Å; W355-M387 HydrophobicContact CZ3-CG 3.57Å; W355-M387 HydrophobicContact CZ3-SD 3.71Å; I379-M387 HydrophobicContact CG2-CE 3.82Å; I379-M387 HydrophobicContact CG2-SD 4.03Å; E383-M387 WeakPolarHBondContact O-CB 3.48Å; E383-M387 PolarHBondContact O-N 3.32Å; S384-M387 WeakPolarHBondContact O-CB 3.29Å; S384-M387 PolarHBondContact O-N 2.95Å; M387-T389 PolarHBondContact O-N 3.21Å; M387-L390 PolarHBondContact O-N 3.49Å; M387-V395 HydrophobicContact CG-CG1 4.45Å; M387-V395 HydrophobicContact CG-CG2 3.94Å; M387-R419 HydrophobicContact CE-CB 4.3Å; M387-R419 PolarHBondContact O-NE 2.87Å
388E98.3Very high97.6Very high4 Ų446.1 Ų46.12%0.01923%0.231CC..Hα-helixtrans-59.1-32.4177.6-60.2-172.9-169.600112.2N316 S384 E385 Y386 L390 R419 Q421 W422 F423 Q424N316-E388 WeakPolarHBondContact ND2-CG 3.26Å; N316-E388 PolarHBondContact ND2-OE1 3.11Å; S384-E388 WeakPolarHBondContact O-CG 3.08Å; S384-E388 PolarHBondContact O-N 3.27Å; S384-E388 VanDerWaalsContact O-N 3.16Å; E385-E388 WeakPolarHBondContact O-CB 3.42Å; E385-E388 PolarHBondContact O-N 3.21Å; Y386-E388 PolarHBondContact O-N 3.25Å; E388-L390 VanDerWaalsContact C-N 3.31Å; E388-L390 PolarHBondContact O-N 2.79Å; E388-R419 PolarHBondContact O-NH2 3.33Å; E388-Q421 HydrophobicContact CB-CB 4.43Å; E388-Q421 HydrophobicContact CB-CG 4.2Å; E388-Q421 VanDerWaalsContact CD-C 3.49Å; E388-Q421 HydrophobicContact CG-CB 4.09Å; E388-Q421 HydrophobicContact CG-CG 4.09Å; E388-Q421 VanDerWaalsContact OE1-C 3.25Å; E388-Q421 WeakPolarHBondContact OE1-CA 3.28Å; E388-Q421 WeakPolarHBondContact OE2-CA 3.42Å; E388-W422 PolarHBondContact OE1-N 2.84Å; E388-F423 WeakPolarHBondContact OE1-CB 3.37Å; E388-F423 PolarHBondContact OE1-N 3.41Å; E388-F423 PolarHBondContact OE2-N 2.61Å; E388-Q424 HydrophobicContact CB-CG 4.32Å; E388-Q424 PolarHBondContact O-NE2 2.88Å; E388-Q424 WeakPolarHBondContact OE2-CB 3.43Å; E388-Q424 WeakPolarHBondContact OE2-CG 3.19Å; E388-Q424 PolarHBondContact OE2-N 3.41Å
389T97.7Very high97.7Very high87 Ų8744.3 Ų44.353%0.53422%0.224SC..Hα-helixtrans-76.7-14.9-17873.40000114.1Y386 M387Y386-T389 WeakPolarHBondContact O-CB 3.1Å; Y386-T389 PolarHBondContact O-N 3.26Å; Y386-T389 PolarHBondContact O-OG1 3.43Å; M387-T389 PolarHBondContact O-N 3.21Å
390L98.1Very high97.8Very high13 Ų1344.9 Ų44.97%0.06823%0.227CC..SBendtrans-80.2148.5-174.7-60.1-176.7000112W355 Y386 M387 E388 E394 V395 R419W355-L390 HydrophobicContact CZ2-CD1 4.02Å; Y386-L390 HydrophobicContact CD1-CD1 4.4Å; Y386-L390 HydrophobicContact CE1-CD1 4.03Å; Y386-L390 HydrophobicContact CE1-CD2 3.91Å; Y386-L390 HydrophobicContact CE1-CG 4.28Å; Y386-L390 HydrophobicContact CE2-CD2 4.09Å; M387-L390 PolarHBondContact O-N 3.49Å; E388-L390 VanDerWaalsContact C-N 3.31Å; E388-L390 PolarHBondContact O-N 2.79Å; L390-E394 HydrophobicContact CB-CB 4.36Å; L390-V395 HydrophobicContact CB-CG2 3.91Å; L390-V395 HydrophobicContact CD1-CG2 4.36Å; L390-R419 PolarHBondContact O-NH2 3.3Å
391P97.1Very high97.8Very high72 Ų7249 Ų4947%0.46825%0.246SC..  trans-57.9152.6165.3-22.333.7000112E393 E394 V395P391-E393 PolarHBondContact O-N 2.99Å; P391-E394 HydrophobicContact CG-CG 4.39Å; P391-E394 PolarHBondContact O-N 3.36Å; P391-V395 PolarHBondContact O-N 2.94Å
392E95.8Very high97.9Very high128 Ų12849.2 Ų49.260%0.59825%0.247SC*.Hα-helixtrans-56.8-36.8176.6-172.7176.7112.800113.1E394 V395 T396E392-E394 VanDerWaalsContact C-N 3.35Å; E392-E394 PolarHBondContact O-N 2.9Å; E392-V395 PolarHBondContact O-N 2.91Å; E392-T396 WeakPolarHBondContact O-CB 3.39Å; E392-T396 PolarHBondContact O-N 2.95Å; E392-T396 PolarHBondContact O-OG1 2.7Å
393E96.9Very high97.9Very high166 Ų16645.2 Ų45.278%0.77623%0.229SC*.Hα-helixtrans-62.2-39.3177.9-64.1179.9-174.400112.5P391 T396 H397P391-E393 PolarHBondContact O-N 2.99Å; E393-T396 PolarHBondContact O-N 2.96Å; E393-H397 WeakPolarHBondContact O-CB 3.39Å; E393-H397 PolarHBondContact O-N 2.87Å
394E97.8Very high97.9Very high104 Ų10448.5 Ų48.549%0.48624%0.241SC..Hα-helixtrans-70.4-41.9178.9-70.1-170.9-162.400111.7L390 P391 E392 T396 H397 A398L390-E394 HydrophobicContact CB-CB 4.36Å; P391-E394 HydrophobicContact CG-CG 4.39Å; P391-E394 PolarHBondContact O-N 3.36Å; E392-E394 VanDerWaalsContact C-N 3.35Å; E392-E394 PolarHBondContact O-N 2.9Å; E394-T396 VanDerWaalsContact C-N 3.31Å; E394-T396 PolarHBondContact O-N 3.41Å; E394-H397 PolarHBondContact O-N 3.31Å; E394-A398 WeakPolarHBondContact O-CB 3.36Å; E394-A398 PolarHBondContact O-N 3.1Å
395V98Very high97.9Very high0 Ų053 Ų530%026%0.258CS..Hα-helixtrans-62.6-42.7173.6178.50000110.2W355 M387 L390 P391 E392 H397 A398 V399 I417W355-V395 HydrophobicContact CH2-CG1 4.24Å; M387-V395 HydrophobicContact CG-CG1 4.45Å; M387-V395 HydrophobicContact CG-CG2 3.94Å; L390-V395 HydrophobicContact CB-CG2 3.91Å; L390-V395 HydrophobicContact CD1-CG2 4.36Å; P391-V395 PolarHBondContact O-N 2.94Å; E392-V395 PolarHBondContact O-N 2.91Å; V395-H397 PolarHBondContact O-N 3.38Å; V395-A398 PolarHBondContact O-N 3.31Å; V395-V399 HydrophobicContact CG1-CG2 4.41Å; V395-V399 WeakPolarHBondContact O-CG2 3.43Å; V395-V399 PolarHBondContact O-N 2.89Å; V395-I417 HydrophobicContact CG1-CG2 4.31Å
396T97.9Very high97.9Very high41 Ų4151.6 Ų51.625%0.25225%0.252SS..Hα-helixtrans-62.3-44.3177.9-63.20000111.8E392 E393 E394 T400 I417E392-T396 WeakPolarHBondContact O-CB 3.39Å; E392-T396 PolarHBondContact O-N 2.95Å; E392-T396 PolarHBondContact O-OG1 2.7Å; E393-T396 PolarHBondContact O-N 2.96Å; E394-T396 VanDerWaalsContact C-N 3.31Å; E394-T396 PolarHBondContact O-N 3.41Å; T396-T400 VanDerWaalsContact O-CB 3.32Å; T396-T400 WeakPolarHBondContact O-CB 3.39Å; T396-T400 PolarHBondContact O-N 3.25Å; T396-T400 PolarHBondContact O-OG1 2.82Å; T396-I417 HydrophobicContact CG2-CD1 4.09Å
397H98Very high97.9Very high118 Ų11850.2 Ų50.255%0.54625%0.249SC..Hα-helixtrans-60.3-49.2175.1-176.781.7000111.4E393 E394 V395 V399 T400 Q401E393-H397 WeakPolarHBondContact O-CB 3.39Å; E393-H397 PolarHBondContact O-N 2.87Å; E394-H397 PolarHBondContact O-N 3.31Å; V395-H397 PolarHBondContact O-N 3.38Å; H397-V399 PolarHBondContact O-N 3.21Å; H397-T400 WeakPolarHBondContact O-CB 3.34Å; H397-T400 PolarHBondContact O-N 2.68Å; H397-Q401 WeakPolarHBondContact O-CG 2.97Å; H397-Q401 PolarHBondContact O-N 2.67Å
398A98.3Very high97.8Very high19 Ų1952.7 Ų52.716%0.15728%0.275CS..Hα-helixtrans-59.8-46.5-179.300000112.5W355 E394 V395 Q401 L402W355-A398 HydrophobicContact CH2-CB 4.36Å; W355-A398 HydrophobicContact CZ2-CB 3.65Å; E394-A398 WeakPolarHBondContact O-CB 3.36Å; E394-A398 PolarHBondContact O-N 3.1Å; V395-A398 PolarHBondContact O-N 3.31Å; A398-Q401 PolarHBondContact O-N 3.38Å; A398-L402 WeakPolarHBondContact O-CB 3.27Å; A398-L402 PolarHBondContact O-N 3.13Å
399V98.4Very high97.7Very high0 Ų055.5 Ų55.50%029%0.29CS..Hα-helixtrans-64.7-39.9176.7172.40000111.3I318 V320 I356 V395 H397 L402 V403 P414 I417I318-V399 HydrophobicContact CG2-CG2 4.18Å; V320-V399 HydrophobicContact CG1-CG1 3.96Å; V320-V399 HydrophobicContact CG2-CG1 3.83Å; I356-V399 HydrophobicContact CD1-CG2 4.28Å; V395-V399 HydrophobicContact CG1-CG2 4.41Å; V395-V399 WeakPolarHBondContact O-CG2 3.43Å; V395-V399 PolarHBondContact O-N 2.89Å; H397-V399 PolarHBondContact O-N 3.21Å; V399-L402 WeakPolarHBondContact O-CB 3.36Å; V399-L402 PolarHBondContact O-N 3.07Å; V399-V403 HydrophobicContact CG1-CG2 4.48Å; V399-V403 WeakPolarHBondContact O-CG2 3.27Å; V399-V403 PolarHBondContact O-N 3.43Å; V399-P414 HydrophobicContact CG1-CG 4.41Å; V399-I417 HydrophobicContact CB-CD1 3.7Å; V399-I417 HydrophobicContact CG1-CD1 3.73Å; V399-I417 HydrophobicContact CG2-CD1 4.18Å
400T98.5Very high97.7Very high13 Ų1356 Ų568%0.0830%0.295CS..Hα-helixtrans-61.6-47.6176.4-57.90000111.1T396 H397 L402 V403 R404 P414T396-T400 VanDerWaalsContact O-CB 3.32Å; T396-T400 WeakPolarHBondContact O-CB 3.39Å; T396-T400 PolarHBondContact O-N 3.25Å; T396-T400 PolarHBondContact O-OG1 2.82Å; H397-T400 WeakPolarHBondContact O-CB 3.34Å; H397-T400 PolarHBondContact O-N 2.68Å; T400-L402 VanDerWaalsContact C-N 3.32Å; T400-L402 PolarHBondContact O-N 2.72Å; T400-V403 PolarHBondContact O-N 3.34Å; T400-R404 HydrophobicContact CG2-CG 4.47Å; T400-R404 WeakPolarHBondContact O-CB 3.43Å; T400-R404 VanDerWaalsContact O-CG 3.26Å; T400-R404 WeakPolarHBondContact O-CG 3.26Å; T400-R404 PolarHBondContact O-N 2.88Å; T400-P414 WeakPolarHBondContact OG1-CD 3.45Å
401Q98.4Very high97.6Very high85 Ų8559.5 Ų59.540%0.39732%0.32SS..Hα-helixtrans-63.8-39.6177.5-65.4-49.7-43.400111.7H397 A398 R405H397-Q401 WeakPolarHBondContact O-CG 2.97Å; H397-Q401 PolarHBondContact O-N 2.67Å; A398-Q401 PolarHBondContact O-N 3.38Å; Q401-R405 WeakPolarHBondContact O-CB 3.28Å; Q401-R405 PolarHBondContact O-N 3.49Å
402L98.1Very high97.6Very high6 Ų657 Ų573%0.03130%0.303CS..Hα-helixtrans-56.5-56.1174.9-178.674.8000111L336 W338 I356 L359 F362 A398 V399 T400 R404 R405 F406L336-L402 HydrophobicContact CD1-CD1 4.13Å; L336-L402 HydrophobicContact CD1-CD2 3.7Å; L336-L402 HydrophobicContact CD1-CG 4.03Å; W338-L402 HydrophobicContact CH2-CD1 3.41Å; W338-L402 VanDerWaalsContact CH2-CD1 3.41Å; W338-L402 HydrophobicContact CZ2-CD1 3.24Å; I356-L402 HydrophobicContact CD1-CD2 4.18Å; I356-L402 HydrophobicContact CG1-CB 4.26Å; I356-L402 HydrophobicContact CG1-CD1 4.25Å; I356-L402 HydrophobicContact CG1-CD2 3.99Å; I356-L402 HydrophobicContact CG1-CG 4.42Å; L359-L402 HydrophobicContact CD2-CD2 3.82Å; F362-L402 HydrophobicContact CE2-CD2 4.33Å; F362-L402 HydrophobicContact CZ-CD2 4.14Å; A398-L402 WeakPolarHBondContact O-CB 3.27Å; A398-L402 PolarHBondContact O-N 3.13Å; V399-L402 WeakPolarHBondContact O-CB 3.36Å; V399-L402 PolarHBondContact O-N 3.07Å; T400-L402 VanDerWaalsContact C-N 3.32Å; T400-L402 PolarHBondContact O-N 2.72Å; L402-R404 PolarHBondContact O-N 3.47Å; L402-R405 PolarHBondContact O-N 3.17Å; L402-F406 HydrophobicContact CD1-CD2 3.7Å; L402-F406 HydrophobicContact CD1-CE2 3.48Å; L402-F406 VanDerWaalsContact CD1-CE2 3.48Å; L402-F406 HydrophobicContact CD1-CZ 4.48Å; L402-F406 HydrophobicContact CG-CD2 4.22Å; L402-F406 HydrophobicContact CG-CE2 4.45Å; L402-F406 VanDerWaalsContact O-CD2 3.31Å; L402-F406 WeakPolarHBondContact O-CD2 3.45Å; L402-F406 PolarHBondContact O-N 3.29Å
403V98.2Very high97.7Very high3 Ų354.5 Ų54.52%0.01830%0.296CS..Hα-helixtrans-62.3-45.2-177174.50000111.1F322 W326 V399 T400 R405 F406 T407 I412F322-V403 HydrophobicContact CE1-CG1 4.48Å; F322-V403 HydrophobicContact CZ-CG1 4.47Å; F322-V403 HydrophobicContact CZ-CG2 4.23Å; W326-V403 HydrophobicContact CD2-CG1 4.18Å; W326-V403 HydrophobicContact CZ2-CG1 3.86Å; W326-V403 HydrophobicContact CZ2-CG2 4.06Å; V399-V403 HydrophobicContact CG1-CG2 4.48Å; V399-V403 WeakPolarHBondContact O-CG2 3.27Å; V399-V403 PolarHBondContact O-N 3.43Å; T400-V403 PolarHBondContact O-N 3.34Å; V403-R405 VanDerWaalsContact C-N 3.3Å; V403-R405 PolarHBondContact O-N 3.25Å; V403-F406 PolarHBondContact O-N 2.97Å; V403-T407 HydrophobicContact CG1-CG2 4.14Å; V403-T407 WeakPolarHBondContact O-CB 3.44Å; V403-T407 VanDerWaalsContact O-CG2 3.27Å; V403-T407 WeakPolarHBondContact O-CG2 3.27Å; V403-T407 PolarHBondContact O-N 3.33Å; V403-T407 PolarHBondContact O-OG1 3.37Å; V403-I412 HydrophobicContact CG1-CB 4.27Å; V403-I412 HydrophobicContact CG1-CD1 4.28Å; V403-I412 HydrophobicContact CG1-CG2 3.57Å
404R98.3Very high97.7Very high70 Ų7047.2 Ų47.226%0.26426%0.263SS..Hα-helixtrans-60.3-40.8177.5-70.4177.6178.2-174.2-1.5112.3T400 L402 T407 G408 N409 P410 I412 T413T400-R404 HydrophobicContact CG2-CG 4.47Å; T400-R404 WeakPolarHBondContact O-CB 3.43Å; T400-R404 VanDerWaalsContact O-CG 3.26Å; T400-R404 WeakPolarHBondContact O-CG 3.26Å; T400-R404 PolarHBondContact O-N 2.88Å; L402-R404 PolarHBondContact O-N 3.47Å; R404-T407 PolarHBondContact O-OG1 2.98Å; R404-G408 CarbonylContact O-C 3.53Å; R404-G408 WeakPolarHBondContact O-CA 3.25Å; R404-G408 PolarHBondContact O-N 3.01Å; R404-N409 WeakPolarHBondContact CG-O 3.38Å; R404-N409 PolarHBondContact O-N 2.84Å; R404-P410 WeakPolarHBondContact CD-O 3.47Å; R404-P410 PolarHBondContact NE-O 3.26Å; R404-I412 WeakPolarHBondContact CG-O 3.39Å; R404-I412 PolarHBondContact NE-O 3.06Å; R404-T413 PolarHBondContact NH2-OG1 3.44Å
405R97.8Very high97.6Very high94 Ų9448.7 Ų48.736%0.35526%0.264SS..Hα-helixtrans-63.9-50.5178.2177.1177.6178.1170.80.3111.6S117 G119 D340 Q401 L402 V403 G408S117-R405 WeakPolarHBondContact O-CG 3.06Å; S117-R405 PolarHBondContact O-NE 3.23Å; G119-R405 VanDerWaalsContact CA-O 3.27Å; G119-R405 WeakPolarHBondContact CA-O 3.49Å; G119-R405 PolarHBondContact N-O 2.81Å; D340-R405 IonicContact OD1-CZ 2.79Å; D340-R405 IonicContact OD1-NH1 2.79Å; D340-R405 IonicContact OD1-NH2 3.62Å; D340-R405 PolarHBondContact OD1-NH2 2.69Å; D340-R405 IonicContact OD2-CZ 3.58Å; D340-R405 VanDerWaalsContact OD2-CZ 3.24Å; D340-R405 IonicContact OD2-NH1 3.61Å; D340-R405 PolarHBondContact OD2-NH1 3.48Å; D340-R405 IonicContact OD2-NH2 3.42Å; D340-R405 PolarHBondContact OD2-NH2 3.39Å; Q401-R405 WeakPolarHBondContact O-CB 3.28Å; Q401-R405 PolarHBondContact O-N 3.49Å; L402-R405 PolarHBondContact O-N 3.17Å; V403-R405 VanDerWaalsContact C-N 3.3Å; V403-R405 PolarHBondContact O-N 3.25Å; R405-G408 PolarHBondContact O-N 3.37Å
406F98.3Very high97.4Very high3 Ų351.7 Ų51.71%0.01328%0.276CS..Hα-helixtrans-74.2-27.6-174.5-85.6-97.6000113.6F115 S116 S117 G119 L336 V337 W338 L402 V403F115-F406 HydrophobicContact CB-CB 4.08Å; F115-F406 HydrophobicContact CB-CD1 4.07Å; F115-F406 WeakPolarHBondContact O-CD1 3.34Å; S116-F406 VanDerWaalsContact C-CD1 3.4Å; S117-F406 VanDerWaalsContact N-CE1 3.29Å; G119-F406 WeakPolarHBondContact CA-O 3.31Å; L336-F406 HydrophobicContact CB-CD1 3.92Å; L336-F406 HydrophobicContact CB-CE1 3.57Å; L336-F406 HydrophobicContact CB-CZ 3.98Å; L336-F406 HydrophobicContact CD2-CB 4.06Å; L336-F406 HydrophobicContact CD2-CD1 3.65Å; L336-F406 HydrophobicContact CD2-CE1 4.22Å; L336-F406 HydrophobicContact CD2-CG 3.85Å; L336-F406 HydrophobicContact CG-CD1 4.27Å; L336-F406 HydrophobicContact CG-CE1 4.37Å; V337-F406 WeakPolarHBondContact O-CE1 3.37Å; W338-F406 HydrophobicContact CD2-CE2 4.04Å; W338-F406 AromaticContact CD2-CZ 3.57Å; W338-F406 HydrophobicContact CD2-CZ 3.57Å; W338-F406 AromaticContact CE2-CE2 3.88Å; W338-F406 AromaticContact CE2-CZ 3.63Å; W338-F406 AromaticContact CE3-CE2 3.92Å; W338-F406 HydrophobicContact CE3-CE2 3.92Å; W338-F406 AromaticContact CE3-CZ 3.78Å; W338-F406 HydrophobicContact CE3-CZ 3.78Å; W338-F406 HydrophobicContact CG-CZ 4.06Å; W338-F406 AromaticContact CH2-CE2 3.62Å; W338-F406 HydrophobicContact CH2-CE2 3.62Å; W338-F406 HydrophobicContact CH2-CZ 4.18Å; W338-F406 AromaticContact CZ2-CE2 3.7Å; W338-F406 HydrophobicContact CZ2-CE2 3.7Å; W338-F406 AromaticContact CZ2-CZ 3.96Å; W338-F406 HydrophobicContact CZ2-CZ 3.96Å; W338-F406 AromaticContact CZ3-CE2 3.72Å; W338-F406 HydrophobicContact CZ3-CE2 3.72Å; W338-F406 HydrophobicContact CZ3-CZ 4.08Å; L402-F406 HydrophobicContact CD1-CD2 3.7Å; L402-F406 HydrophobicContact CD1-CE2 3.48Å; L402-F406 VanDerWaalsContact CD1-CE2 3.48Å; L402-F406 HydrophobicContact CD1-CZ 4.48Å; L402-F406 HydrophobicContact CG-CD2 4.22Å; L402-F406 HydrophobicContact CG-CE2 4.45Å; L402-F406 VanDerWaalsContact O-CD2 3.31Å; L402-F406 WeakPolarHBondContact O-CD2 3.45Å; L402-F406 PolarHBondContact O-N 3.29Å; V403-F406 PolarHBondContact O-N 2.97Å
407T97.2Very high97.3Very high29 Ų2950.4 Ų50.418%0.17827%0.267CS..Hα-helixtrans-89.1-15175.259.70000113.4W326 V403 R404 N409 I412W326-T407 HydrophobicContact CD2-CG2 4.12Å; W326-T407 HydrophobicContact CE3-CG2 3.63Å; W326-T407 HydrophobicContact CZ3-CG2 3.99Å; V403-T407 HydrophobicContact CG1-CG2 4.14Å; V403-T407 WeakPolarHBondContact O-CB 3.44Å; V403-T407 VanDerWaalsContact O-CG2 3.27Å; V403-T407 WeakPolarHBondContact O-CG2 3.27Å; V403-T407 PolarHBondContact O-N 3.33Å; V403-T407 PolarHBondContact O-OG1 3.37Å; R404-T407 PolarHBondContact O-OG1 2.98Å; T407-N409 PolarHBondContact O-N 3.44Å; T407-N409 PolarHBondContact OG1-N 2.96Å; T407-I412 HydrophobicContact CG2-CD1 3.84Å; T407-I412 WeakPolarHBondContact OG1-CD1 3.42Å
408G97.1Very high97.2Very high51 Ų5147.1 Ų47.153%0.52625%0.253SS..SBendtrans66.19.6-169.600000114R404 R405R404-G408 CarbonylContact O-C 3.53Å; R404-G408 WeakPolarHBondContact O-CA 3.25Å; R404-G408 PolarHBondContact O-N 3.01Å; R405-G408 PolarHBondContact O-N 3.37Å
409N96.8Very high97.1Very high63 Ų6348 Ų4834%0.33725%0.253SS..  trans-109.6106.3-174.8-176.7-10.5000111.1R404 T407 S411 I412R404-N409 WeakPolarHBondContact CG-O 3.38Å; R404-N409 PolarHBondContact O-N 2.84Å; T407-N409 PolarHBondContact O-N 3.44Å; T407-N409 PolarHBondContact OG1-N 2.96Å; N409-S411 PolarHBondContact ND2-OG 3.3Å; N409-S411 PolarHBondContact O-N 3.38Å; N409-S411 WeakPolarHBondContact OD1-CB 3.24Å; N409-S411 PolarHBondContact OD1-N 3.13Å; N409-S411 PolarHBondContact OD1-OG 2.92Å; N409-I412 HydrophobicContact CB-CD1 3.78Å; N409-I412 HydrophobicContact CB-CG1 4.02Å
410P96.7Very high97Very high98 Ų9848.1 Ų48.164%0.63625%0.253SS*.THydrogen-bonded Turntrans-73.4-9.1-176.931-36.5000114.2R404R404-P410 WeakPolarHBondContact CD-O 3.47Å; R404-P410 PolarHBondContact NE-O 3.26Å
411S96.8Very high97Very high86 Ų8651.6 Ų51.660%0.60127%0.269SS*.THydrogen-bonded Turntrans-84.3-21-178.868.60000113.6N409 T413N409-S411 PolarHBondContact ND2-OG 3.3Å; N409-S411 PolarHBondContact O-N 3.38Å; N409-S411 WeakPolarHBondContact OD1-CB 3.24Å; N409-S411 PolarHBondContact OD1-N 3.13Å; N409-S411 PolarHBondContact OD1-OG 2.92Å; S411-T413 PolarHBondContact O-N 3.27Å; S411-T413 PolarHBondContact O-OG1 3.49Å
412I97.2Very high96.9Very high20 Ų2048.2 Ų48.210%0.10325%0.252CS..  trans-65127-176.9-60.7173.1000109.4F322 W326 V403 R404 T407 N409F322-I412 HydrophobicContact CD1-CG2 3.95Å; F322-I412 HydrophobicContact CE1-CG2 3.64Å; W326-I412 HydrophobicContact CB-CD1 3.62Å; W326-I412 HydrophobicContact CB-CG1 4.45Å; W326-I412 HydrophobicContact CG-CD1 3.89Å; W326-I412 HydrophobicContact CG-CG2 4.4Å; V403-I412 HydrophobicContact CG1-CB 4.27Å; V403-I412 HydrophobicContact CG1-CD1 4.28Å; V403-I412 HydrophobicContact CG1-CG2 3.57Å; R404-I412 WeakPolarHBondContact CG-O 3.39Å; R404-I412 PolarHBondContact NE-O 3.06Å; T407-I412 HydrophobicContact CG2-CD1 3.84Å; T407-I412 WeakPolarHBondContact OG1-CD1 3.42Å; N409-I412 HydrophobicContact CB-CD1 3.78Å; N409-I412 HydrophobicContact CB-CG1 4.02Å
413T96.4Very high96.9Very high76 Ų7651.8 Ų51.847%0.46627%0.268SS..  trans-138.2125.3-179.9-51.90000108.4R404 S411 R415R404-T413 PolarHBondContact NH2-OG1 3.44Å; S411-T413 PolarHBondContact O-N 3.27Å; S411-T413 PolarHBondContact O-OG1 3.49Å; T413-R415 PolarHBondContact O-N 3.41Å
414P96.8Very high96.8Very high12 Ų1256.3 Ų56.38%0.07829%0.289CS..  trans-59136.2170-22.534.1000110.5V320 E321 F322 V399 T400 I417V320-P414 HydrophobicContact CG1-CB 3.73Å; V320-P414 HydrophobicContact CG1-CG 3.93Å; E321-P414 CarbonylContact O-C 3.25Å; F322-P414 HydrophobicContact CE1-CB 4.22Å; F322-P414 HydrophobicContact CE1-CG 3.93Å; F322-P414 HydrophobicContact CZ-CG 4.22Å; V399-P414 HydrophobicContact CG1-CG 4.41Å; T400-P414 WeakPolarHBondContact OG1-CD 3.45Å; P414-I417 HydrophobicContact CB-CD1 3.93Å; P414-I417 HydrophobicContact CB-CG1 4.09Å; P414-I417 HydrophobicContact CG-CD1 4.03Å
415R95.5Very high96.7Very high135 Ų13554.6 Ų54.651%0.50929%0.285SS..SBendtrans-73.2-44.8170.9-178.4-171.2168.5159.1-14.1110.5E321 D323 T413E321-R415 WeakPolarHBondContact O-CB 3.35Å; E321-R415 PolarHBondContact O-N 2.63Å; E321-R415 WeakPolarHBondContact OE2-CD 3.46Å; E321-R415 IonicContact OE2-NE 3.97Å; D323-R415 WeakPolarHBondContact OD1-CD 3.41Å; D323-R415 IonicContact OD1-NH1 3.88Å; D323-R415 PolarHBondContact OD1-NH1 2.68Å; T413-R415 PolarHBondContact O-N 3.41Å
416R94.4Very high96.7Very high63 Ų6353.6 Ų53.624%0.23829%0.29CS..EExtended strand (participates in β ladder)trans-149150.3-178.5-73.9-173.7-65.7-168.7-6.4111.7D60 E321D60-R416 IonicContact OD1-CZ 3.54Å; D60-R416 IonicContact OD1-NH1 3.7Å; D60-R416 PolarHBondContact OD1-NH1 2.89Å; D60-R416 IonicContact OD2-CZ 3.34Å; D60-R416 IonicContact OD2-NH1 3.12Å; D60-R416 PolarHBondContact OD2-NH1 3.46Å; D60-R416 IonicContact OD2-NH2 2.66Å; D60-R416 PolarHBondContact OD2-NH2 2.91Å; E321-R416 HydrophobicContact CB-CB 4.33Å; E321-R416 VanDerWaalsContact CD-NH2 3.28Å; E321-R416 PolarHBondContact N-O 2.62Å; E321-R416 PolarHBondContact O-N 2.9Å; E321-R416 IonicContact OE1-NH2 3.21Å; E321-R416 PolarHBondContact OE1-NH2 2.8Å; E321-R416 IonicContact OE2-CZ 3.96Å; E321-R416 IonicContact OE2-NE 3.63Å; E321-R416 PolarHBondContact OE2-NE 3.23Å; E321-R416 IonicContact OE2-NH2 2.67Å; E321-R416 PolarHBondContact OE2-NH2 2.91Å
417I95.4Very high96.7Very high14 Ų1457.4 Ų57.47%0.07231%0.305CS..EExtended strand (participates in β ladder)trans-132.5138.2173.6-71.8171.8000109.8I318 F319 V320 V395 T396 V399 P414I318-I417 HydrophobicContact CG2-CG2 3.85Å; F319-I417 VanDerWaalsContact O-CA 3.24Å; F319-I417 WeakPolarHBondContact O-CA 3.08Å; V320-I417 HydrophobicContact CB-CG1 4.38Å; V320-I417 HydrophobicContact CG1-CD1 4.2Å; V320-I417 HydrophobicContact CG1-CG1 3.92Å; V320-I417 HydrophobicContact CG2-CG1 4.23Å; V395-I417 HydrophobicContact CG1-CG2 4.31Å; T396-I417 HydrophobicContact CG2-CD1 4.09Å; V399-I417 HydrophobicContact CB-CD1 3.7Å; V399-I417 HydrophobicContact CG1-CD1 3.73Å; V399-I417 HydrophobicContact CG2-CD1 4.18Å; P414-I417 HydrophobicContact CB-CD1 3.93Å; P414-I417 HydrophobicContact CB-CG1 4.09Å; P414-I417 HydrophobicContact CG-CD1 4.03Å
418L95.8Very high96.6Very high50 Ų5056.4 Ų56.426%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-133.7141.9170.8-178.6150.7000108.5L59 I64 I66 I318 F319L59-L418 HydrophobicContact CD1-CB 4.46Å; I64-L418 HydrophobicContact CD1-CD1 4.24Å; I64-L418 HydrophobicContact CD1-CD2 3.85Å; I66-L418 HydrophobicContact CD1-CD2 3.55Å; I318-L418 CarbonylContact C-O 3.54Å; F319-L418 HydrophobicContact CB-CB 4.33Å; F319-L418 HydrophobicContact CD2-CD2 3.73Å; F319-L418 HydrophobicContact CE2-CD2 4.35Å; F319-L418 PolarHBondContact N-O 3.35Å; F319-L418 PolarHBondContact O-N 3.17Å
419R96.4Very high96.7Very high37 Ų3754.6 Ų54.614%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-130.5150.5176.870-175.3-172.4-96.8-2.4112.5K317 M387 E388 L390K317-R419 CarbonylContact O-C 3.55Å; K317-R419 WeakPolarHBondContact O-CA 3.14Å; M387-R419 HydrophobicContact CE-CB 4.3Å; M387-R419 PolarHBondContact O-NE 2.87Å; E388-R419 PolarHBondContact O-NH2 3.33Å; L390-R419 PolarHBondContact O-NH2 3.3Å
420S97.5Very high96.7Very high2 Ų251.6 Ų51.61%0.01426%0.261CS..  trans-78.1160.3167.965.30000111.4N316 K317N316-S420 WeakPolarHBondContact CA-OG 3.4Å; N316-S420 WeakPolarHBondContact CB-OG 3.35Å; N316-S420 VanDerWaalsContact CG-OG 3.27Å; N316-S420 WeakPolarHBondContact OD1-CB 3.39Å; N316-S420 PolarHBondContact OD1-O 2.99Å; N316-S420 PolarHBondContact OD1-OG 3.34Å; K317-S420 PolarHBondContact N-OG 2.92Å; K317-S420 PolarHBondContact O-N 2.59Å
421Q97.1Very high96.7Very high87 Ų8747.2 Ų47.241%0.40723%0.233SC..  trans-141.366.6-179.5-61-179.318.200110.9N316 E388 D425N316-Q421 PolarHBondContact OD1-N 2.86Å; E388-Q421 HydrophobicContact CB-CB 4.43Å; E388-Q421 HydrophobicContact CB-CG 4.2Å; E388-Q421 VanDerWaalsContact CD-C 3.49Å; E388-Q421 HydrophobicContact CG-CB 4.09Å; E388-Q421 HydrophobicContact CG-CG 4.09Å; E388-Q421 VanDerWaalsContact OE1-C 3.25Å; E388-Q421 WeakPolarHBondContact OE1-CA 3.28Å; E388-Q421 WeakPolarHBondContact OE2-CA 3.42Å; Q421-D425 PolarHBondContact O-N 2.89Å
422W97.9Very high96.8Very high14 Ų1445.6 Ų45.65%0.05321%0.213CC..THydrogen-bonded Turntrans-75.7-24.5-174.1-72.2112.7000114.2R53 K55 I66 N316 E388 T428 G430R53-W422 HydrophobicContact CB-CH2 4.3Å; R53-W422 HydrophobicContact CB-CZ3 4.24Å; R53-W422 HydrophobicContact CG-CE3 4.1Å; R53-W422 HydrophobicContact CG-CH2 4.3Å; R53-W422 HydrophobicContact CG-CZ3 3.74Å; K55-W422 HydrophobicContact CB-CH2 3.93Å; K55-W422 HydrophobicContact CB-CZ2 4.23Å; K55-W422 HydrophobicContact CD-CH2 4.23Å; I66-W422 HydrophobicContact CG2-CZ2 4.17Å; I66-W422 PolarHBondContact O-NE1 3.09Å; N316-W422 VanDerWaalsContact OD1-CD1 3.32Å; N316-W422 PolarHBondContact OD1-N 2.83Å; N316-W422 VanDerWaalsContact OD1-N 3.17Å; E388-W422 PolarHBondContact OE1-N 2.84Å; W422-T428 HydrophobicContact CE3-CG2 4.1Å; W422-T428 HydrophobicContact CZ3-CG2 4.09Å; W422-T428 PolarHBondContact O-OG1 3.17Å; W422-G430 PolarHBondContact O-N 2.58Å
423F97.7Very high96.8Very high80 Ų8044.6 Ų44.635%0.35121%0.209SC..THydrogen-bonded Turntrans-77.8-43.3-179.8-177.3-108.3000112.4T314 E385 E388 D425T314-F423 HydrophobicContact CG2-CB 3.8Å; T314-F423 WeakPolarHBondContact OG1-CD2 3.32Å; E385-F423 HydrophobicContact CB-CD1 3.95Å; E385-F423 HydrophobicContact CB-CE1 4.29Å; E385-F423 HydrophobicContact CB-CG 4.18Å; E385-F423 HydrophobicContact CG-CB 3.94Å; E385-F423 HydrophobicContact CG-CD1 3.89Å; E385-F423 HydrophobicContact CG-CD2 3.83Å; E385-F423 HydrophobicContact CG-CE1 4.31Å; E385-F423 HydrophobicContact CG-CE2 4.26Å; E385-F423 HydrophobicContact CG-CG 3.62Å; E385-F423 HydrophobicContact CG-CZ 4.48Å; E385-F423 WeakPolarHBondContact OE1-CD2 3.41Å; E388-F423 WeakPolarHBondContact OE1-CB 3.37Å; E388-F423 PolarHBondContact OE1-N 3.41Å; E388-F423 PolarHBondContact OE2-N 2.61Å; F423-D425 VanDerWaalsContact C-N 3.3Å; F423-D425 PolarHBondContact O-N 3.01Å
424Q96.4Very high96.8Very high98 Ų9841.9 Ų41.946%0.45819%0.19SC..THydrogen-bonded Turntrans-74.5-17.7177.3-74.6-170.266.500113.6E388 P426E388-Q424 HydrophobicContact CB-CG 4.32Å; E388-Q424 PolarHBondContact O-NE2 2.88Å; E388-Q424 WeakPolarHBondContact OE2-CB 3.43Å; E388-Q424 WeakPolarHBondContact OE2-CG 3.19Å; E388-Q424 PolarHBondContact OE2-N 3.41Å; Q424-P426 WeakPolarHBondContact O-CD 3.26Å; Q424-P426 VanDerWaalsContact O-N 3.13Å
425D96.7Very high96.8Very high35 Ų3541.8 Ų41.819%0.18719%0.189CC..  trans-60.3116.2171.9-175.7-28.6000109.5Q421 F423 W427 T428 N429Q421-D425 PolarHBondContact O-N 2.89Å; F423-D425 VanDerWaalsContact C-N 3.3Å; F423-D425 PolarHBondContact O-N 3.01Å; D425-W427 PolarHBondContact O-N 3.14Å; D425-W427 VanDerWaalsContact O-N 3.13Å; D425-W427 WeakPolarHBondContact OD1-CB 3.39Å; D425-W427 PolarHBondContact OD1-N 2.99Å; D425-T428 WeakPolarHBondContact CB-OG1 3.46Å; D425-T428 PolarHBondContact O-N 3.41Å; D425-N429 PolarHBondContact O-N 2.7Å
426P96.9Very high96.9Very high72 Ų7235.9 Ų35.947%0.46817%0.169SC..THydrogen-bonded Turntrans-68-13.2-173.428.7-35.8000113.3Y286 Q424 N429Y286-P426 WeakPolarHBondContact CD2-O 3.2Å; Y286-P426 WeakPolarHBondContact CE2-O 3.22Å; Q424-P426 WeakPolarHBondContact O-CD 3.26Å; Q424-P426 VanDerWaalsContact O-N 3.13Å; P426-N429 PolarHBondContact O-OD1 3.48Å
427W97.4Very high96.9Very high84 Ų8435.9 Ų35.932%0.31818%0.176SC..THydrogen-bonded Turntrans-100.6-14.2-176.6-50.7114.7000113.4A46 T47 P248 Y286 D425A46-W427 HydrophobicContact CB-CD2 3.62Å; A46-W427 HydrophobicContact CB-CE3 3.58Å; A46-W427 HydrophobicContact CB-CG 4.24Å; A46-W427 HydrophobicContact CB-CH2 4.14Å; A46-W427 HydrophobicContact CB-CZ2 4.15Å; A46-W427 HydrophobicContact CB-CZ3 3.85Å; T47-W427 VanDerWaalsContact CG2-CD1 3.47Å; T47-W427 HydrophobicContact CG2-CG 4.08Å; P248-W427 HydrophobicContact CB-CH2 3.39Å; P248-W427 HydrophobicContact CB-CZ2 4.25Å; P248-W427 HydrophobicContact CB-CZ3 3.69Å; P248-W427 HydrophobicContact CG-CH2 4.13Å; Y286-W427 AromaticContact CE2-CE3 3.94Å; Y286-W427 HydrophobicContact CE2-CE3 3.94Å; Y286-W427 HydrophobicContact CE2-CZ3 4.28Å; D425-W427 PolarHBondContact O-N 3.14Å; D425-W427 VanDerWaalsContact O-N 3.13Å; D425-W427 WeakPolarHBondContact OD1-CB 3.39Å; D425-W427 PolarHBondContact OD1-N 2.99Å
428T96.4Very high96.6Very high7 Ų737.6 Ų37.64%0.04320%0.197CC..THydrogen-bonded Turntrans-112.3-44.1177.159.20000113R53 P283 Y286 F312 W422 D425 G430R53-T428 HydrophobicContact CG-CG2 3.68Å; P283-T428 HydrophobicContact CG-CG2 4.25Å; Y286-T428 PolarHBondContact N-O 3.44Å; F312-T428 WeakPolarHBondContact CE1-O 3.24Å; W422-T428 HydrophobicContact CE3-CG2 4.1Å; W422-T428 HydrophobicContact CZ3-CG2 4.09Å; W422-T428 PolarHBondContact O-OG1 3.17Å; D425-T428 WeakPolarHBondContact CB-OG1 3.46Å; D425-T428 PolarHBondContact O-N 3.41Å; T428-G430 VanDerWaalsContact C-N 3.34Å; T428-G430 WeakPolarHBondContact CB-O 3.4Å; T428-G430 PolarHBondContact O-N 2.92Å; T428-G430 PolarHBondContact OG1-O 3.08Å
429N97.6Very high96.4Very high14 Ų1435.7 Ų35.78%0.07519%0.188CC..SBendtrans5346.7-174.8-53.9118.3000113.4Y286 R289 F312 D425 P426Y286-N429 WeakPolarHBondContact CA-OD1 3.48Å; R289-N429 PolarHBondContact NH1-ND2 3.3Å; F312-N429 WeakPolarHBondContact CE1-O 3.38Å; D425-N429 PolarHBondContact O-N 2.7Å; P426-N429 PolarHBondContact O-OD1 3.48Å
430G97.6Very high96Very high0 Ų036.2 Ų36.20%020%0.197CC..SBendtrans130.9-175.4-17700000112.3W422 T428W422-G430 PolarHBondContact O-N 2.58Å; T428-G430 VanDerWaalsContact C-N 3.34Å; T428-G430 WeakPolarHBondContact CB-O 3.4Å; T428-G430 PolarHBondContact O-N 2.92Å; T428-G430 PolarHBondContact OG1-O 3.08Å
431S97.4Very high95.7Very high6 Ų640.1 Ų40.14%0.04222%0.215CC..SBendtrans-94.9-66.2-175.159.30000112.5R53 G313 N315R53-S431 WeakPolarHBondContact CD-O 3.31Å; R53-S431 PolarHBondContact NH1-O 3.45Å; G313-S431 PolarHBondContact O-N 3.13Å; G313-S431 PolarHBondContact O-OG 3.49Å; G313-S431 VanDerWaalsContact O-OG 3.08Å; N315-S431 PolarHBondContact N-OG 3.05Å
432Y97.9Very high95.6Very high51 Ų5140.8 Ų40.820%0.222%0.218CC..EExtended strand (participates in β ladder)trans-160.8167.8-174.443.2-97.9000112.4C195 N197 F312 G313 N315C195-Y432 PolarHBondContact O-OH 3.11Å; N197-Y432 WeakPolarHBondContact O-CE2 3.11Å; F312-Y432 VanDerWaalsContact CD2-C 3.41Å; F312-Y432 WeakPolarHBondContact CD2-O 3.27Å; F312-Y432 VanDerWaalsContact CE2-CA 3.5Å; G313-Y432 PolarHBondContact N-O 3.16Å; N315-Y432 HydrophobicContact CB-CE1 4.23Å; N315-Y432 PolarHBondContact ND2-OH 3.42Å
433S97.8Very high95.5Very high0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-75.3166.6-176.668.40000113.5G311 E468 S476G311-S433 CarbonylContact O-C 3.52Å; G311-S433 WeakPolarHBondContact O-CA 3.31Å; G311-S433 WeakPolarHBondContact O-CB 3.25Å; S433-E468 WeakPolarHBondContact CB-OE2 3.46Å; S433-E468 PolarHBondContact N-OE1 3.16Å; S433-E468 PolarHBondContact OG-OE2 3.38Å; S433-S476 VanDerWaalsContact C-OG 3.31Å; S433-S476 PolarHBondContact O-OG 3.18Å; S433-S476 PolarHBondContact OG-OG 3.49Å
434Y97.4Very high95.4Very high18 Ų1836.6 Ų36.67%0.07120%0.201CC..EExtended strand (participates in β ladder)trans-151.3163.2163.559.8-84.3000108.8N197 E204 V205 G311 A436N197-Y434 WeakPolarHBondContact O-CB 3.47Å; E204-Y434 HydrophobicContact CB-CE2 3.96Å; E204-Y434 PolarHBondContact OE2-OH 3.46Å; V205-Y434 HydrophobicContact CG2-CD2 4.19Å; G311-Y434 VanDerWaalsContact CA-CE1 3.49Å; G311-Y434 WeakPolarHBondContact CA-O 3.3Å; G311-Y434 PolarHBondContact N-O 3.07Å; G311-Y434 PolarHBondContact O-N 2.89Å; Y434-A436 HydrophobicContact CD2-CB 4.22Å; Y434-A436 HydrophobicContact CE2-CB 3.78Å; Y434-A436 PolarHBondContact O-N 3.42Å
435L95.7Very high95.3Very high11 Ų1135.3 Ų35.36%0.05820%0.195CC..  trans-85.1102175.9-55.3-171.9000108.8G206 A209 Q212 L444 F475G206-L435 PolarHBondContact N-O 3.15Å; A209-L435 HydrophobicContact CB-CB 3.76Å; A209-L435 HydrophobicContact CB-CD1 3.81Å; A209-L435 HydrophobicContact CB-CG 4.44Å; A209-L435 WeakPolarHBondContact O-CD1 3.3Å; Q212-L435 HydrophobicContact CB-CD1 3.74Å; Q212-L435 HydrophobicContact CG-CD1 3.98Å; L435-L444 HydrophobicContact CD1-CD1 4.31Å; L435-L444 HydrophobicContact CD2-CD1 3.96Å; L435-L444 HydrophobicContact CD2-CD2 3.98Å; L435-L444 HydrophobicContact CD2-CG 4.21Å; L435-F475 HydrophobicContact CD1-CD1 4.45Å; L435-F475 HydrophobicContact CD1-CE1 3.6Å; L435-F475 HydrophobicContact CD1-CE2 4.49Å; L435-F475 HydrophobicContact CD1-CZ 3.62Å; L435-F475 HydrophobicContact CD2-CD1 4.39Å; L435-F475 HydrophobicContact CD2-CE1 4.26Å; L435-F475 HydrophobicContact CD2-CZ 4.38Å; L435-F475 HydrophobicContact CG-CD1 4.47Å; L435-F475 HydrophobicContact CG-CE1 3.9Å; L435-F475 HydrophobicContact CG-CE2 4.03Å; L435-F475 HydrophobicContact CG-CZ 3.64Å
436A96.8Very high95.4Very high11 Ų1134.6 Ų34.69%0.09119%0.191CC..BIsolated β-bridgetrans-77.9168.8-177.600000112.2E204 R309 Y434 G438 C439E204-A436 CarbonylContact O-C 3.57Å; E204-A436 WeakPolarHBondContact O-CA 3.32Å; E204-A436 WeakPolarHBondContact O-CB 3.49Å; R309-A436 WeakPolarHBondContact O-CB 3.36Å; Y434-A436 HydrophobicContact CD2-CB 4.22Å; Y434-A436 HydrophobicContact CE2-CB 3.78Å; Y434-A436 PolarHBondContact O-N 3.42Å; A436-G438 PolarHBondContact O-N 3.39Å; A436-C439 WeakPolarHBondContact O-CB 3.43Å; A436-C439 PolarHBondContact O-N 3.01Å
437T94.9Very high95.4Very high62 Ų6231.4 Ų31.438%0.3817%0.169SC..THydrogen-bonded Turntrans-53.9132.3172.353.50000111.2A153 D203 E204 C439A153-T437 VanDerWaalsContact O-CG2 3.26Å; A153-T437 WeakPolarHBondContact O-CG2 3.34Å; D203-T437 WeakPolarHBondContact O-CG2 3.27Å; E204-T437 PolarHBondContact O-N 3.37Å; T437-C439 PolarHBondContact O-N 3.37Å
438G89.6Confident95.4Very high51 Ų5128.5 Ų28.553%0.52616%0.16SC..THydrogen-bonded Turntrans75.52-175.600000115.8A436A436-G438 PolarHBondContact O-N 3.39Å
439C91.9Very high95.4Very high9 Ų930.8 Ų30.86%0.06117%0.17CC..  trans-75.3138.7167.9-169.90000110.2A436 T437A436-C439 WeakPolarHBondContact O-CB 3.43Å; A436-C439 PolarHBondContact O-N 3.01Å; T437-C439 PolarHBondContact O-N 3.37Å
440S88.6Confident95.3Very high48 Ų4830.7 Ų30.734%0.33617%0.171SC..  trans-125.2167.5179.5650000111.5Q442 D443S440-Q442 PolarHBondContact O-N 3.04Å; S440-Q442 PolarHBondContact OG-N 3.31Å; S440-D443 PolarHBondContact N-OD2 2.92Å; S440-D443 WeakPolarHBondContact O-CB 3.42Å; S440-D443 PolarHBondContact O-N 3.23Å; S440-D443 PolarHBondContact OG-N 2.96Å; S440-D443 PolarHBondContact OG-OD2 3.1Å
441Q91Very high95.1Very high84 Ų8430.7 Ų30.739%0.39317%0.171SC..Hα-helixtrans-55.4-35.6170.3-173.1-178.9-56.800111.7D443 L444 E445 L472Q441-D443 PolarHBondContact O-N 2.9Å; Q441-L444 PolarHBondContact O-N 3.41Å; Q441-L444 VanDerWaalsContact O-N 3.12Å; Q441-E445 PolarHBondContact NE2-OE1 3.17Å; Q441-E445 WeakPolarHBondContact O-CG 3.32Å; Q441-E445 PolarHBondContact O-N 2.97Å; Q441-L472 HydrophobicContact CG-CD2 4.12Å
442Q93.8Very high94.8Very high102 Ų10230.9 Ų30.948%0.47717%0.171SC..Hα-helixtrans-60.4-32.7177-172.162.576.100112S440 E445 N446S440-Q442 PolarHBondContact O-N 3.04Å; S440-Q442 PolarHBondContact OG-N 3.31Å; Q442-E445 PolarHBondContact NE2-OE2 2.99Å; Q442-E445 VanDerWaalsContact NE2-OE2 3.12Å; Q442-E445 PolarHBondContact O-N 3.41Å; Q442-N446 PolarHBondContact NE2-OD1 3.45Å; Q442-N446 WeakPolarHBondContact O-CB 3.38Å; Q442-N446 PolarHBondContact O-N 3.06Å; Q442-N446 PolarHBondContact O-ND2 2.93Å; Q442-N446 PolarHBondContact O-OD1 3.05Å
443D95.8Very high94.1Very high5 Ų529.9 Ų29.93%0.02717%0.171CC..Hα-helixtrans-66.7-40.1176.9-67.9-65.6000111.7S306 R309 L310 S440 Q441 N446 M447S306-D443 WeakPolarHBondContact CA-OD1 3.44Å; S306-D443 WeakPolarHBondContact CB-O 3.45Å; S306-D443 WeakPolarHBondContact CB-OD1 3.32Å; S306-D443 WeakPolarHBondContact OG-CA 3.49Å; S306-D443 PolarHBondContact OG-OD1 2.85Å; R309-D443 IonicContact NH1-OD2 2.67Å; L310-D443 HydrophobicContact CD1-CB 3.87Å; S440-D443 PolarHBondContact N-OD2 2.92Å; S440-D443 WeakPolarHBondContact O-CB 3.42Å; S440-D443 PolarHBondContact O-N 3.23Å; S440-D443 PolarHBondContact OG-N 2.96Å; S440-D443 PolarHBondContact OG-OD2 3.1Å; Q441-D443 PolarHBondContact O-N 2.9Å; D443-N446 WeakPolarHBondContact O-CB 3.35Å; D443-N446 PolarHBondContact O-N 3.34Å; D443-M447 WeakPolarHBondContact O-CG 3.28Å; D443-M447 PolarHBondContact O-N 3.49Å
444L95.3Very high92.7Very high1 Ų134.8 Ų34.81%0.00521%0.205CC..Hα-helixtrans-66.7-40.6173.7-66.1165.1000111.7L310 L435 Q441 N446 M447 I448 L472L310-L444 HydrophobicContact CD2-CD2 3.97Å; L435-L444 HydrophobicContact CD1-CD1 4.31Å; L435-L444 HydrophobicContact CD2-CD1 3.96Å; L435-L444 HydrophobicContact CD2-CD2 3.98Å; L435-L444 HydrophobicContact CD2-CG 4.21Å; Q441-L444 PolarHBondContact O-N 3.41Å; Q441-L444 VanDerWaalsContact O-N 3.12Å; L444-N446 VanDerWaalsContact C-N 3.31Å; L444-N446 PolarHBondContact O-N 3.18Å; L444-M447 WeakPolarHBondContact O-CB 3.07Å; L444-M447 PolarHBondContact O-N 3.11Å; L444-M447 VanDerWaalsContact O-N 3.11Å; L444-I448 WeakPolarHBondContact O-CD1 3.32Å; L444-I448 VanDerWaalsContact O-CG1 3.3Å; L444-I448 WeakPolarHBondContact O-CG1 3.37Å; L444-I448 PolarHBondContact O-N 3.01Å; L444-L472 HydrophobicContact CB-CD2 3.67Å; L444-L472 HydrophobicContact CD1-CD2 4.31Å
445E96.2Very high90.7Very high71 Ų7137.9 Ų37.933%0.33224%0.235SC..Hα-helixtrans-61.1-41174.2-70173.6-174.500111.8Q441 Q442 M447 I448 E449 L472Q441-E445 PolarHBondContact NE2-OE1 3.17Å; Q441-E445 WeakPolarHBondContact O-CG 3.32Å; Q441-E445 PolarHBondContact O-N 2.97Å; Q442-E445 PolarHBondContact NE2-OE2 2.99Å; Q442-E445 VanDerWaalsContact NE2-OE2 3.12Å; Q442-E445 PolarHBondContact O-N 3.41Å; E445-M447 VanDerWaalsContact C-N 3.28Å; E445-M447 PolarHBondContact O-N 3.35Å; E445-I448 PolarHBondContact O-N 3.47Å; E445-E449 PolarHBondContact O-N 2.75Å; E445-L472 HydrophobicContact CG-CD2 4.28Å
446N97.3Very high88.6Confident19 Ų1939.7 Ų39.710%0.10225%0.248CC..Hα-helixtrans-63.4-34.8174.1-65.6-16.9000111.7K303 S306 Q442 D443 L444K303-N446 VanDerWaalsContact CE-O 3.29Å; K303-N446 WeakPolarHBondContact CE-O 3.47Å; K303-N446 PolarHBondContact NZ-O 2.97Å; S306-N446 WeakPolarHBondContact OG-CB 3.38Å; S306-N446 PolarHBondContact OG-ND2 2.81Å; Q442-N446 PolarHBondContact NE2-OD1 3.45Å; Q442-N446 WeakPolarHBondContact O-CB 3.38Å; Q442-N446 PolarHBondContact O-N 3.06Å; Q442-N446 PolarHBondContact O-ND2 2.93Å; Q442-N446 PolarHBondContact O-OD1 3.05Å; D443-N446 WeakPolarHBondContact O-CB 3.35Å; D443-N446 PolarHBondContact O-N 3.34Å; L444-N446 VanDerWaalsContact C-N 3.31Å; L444-N446 PolarHBondContact O-N 3.18Å
447M97.7Very high86.7Confident5 Ų549.6 Ų49.63%0.02529%0.29CS..Hα-helixtrans-65.8-40.7173.7-70.3-61.6-67.200111.7L284 L287 K303 I307 L310 D443 L444 E445 F465 T470L284-M447 HydrophobicContact CD1-CE 3.92Å; L287-M447 HydrophobicContact CD2-CE 3.95Å; K303-M447 PolarHBondContact NZ-O 3.15Å; I307-M447 HydrophobicContact CB-SD 4.46Å; I307-M447 HydrophobicContact CG1-CE 4.11Å; I307-M447 HydrophobicContact CG1-SD 3.53Å; I307-M447 VanDerWaalsContact CG1-SD 3.53Å; L310-M447 HydrophobicContact CD1-CG 4.05Å; L310-M447 HydrophobicContact CD2-CG 4.16Å; D443-M447 WeakPolarHBondContact O-CG 3.28Å; D443-M447 PolarHBondContact O-N 3.49Å; L444-M447 WeakPolarHBondContact O-CB 3.07Å; L444-M447 PolarHBondContact O-N 3.11Å; L444-M447 VanDerWaalsContact O-N 3.11Å; E445-M447 VanDerWaalsContact C-N 3.28Å; E445-M447 PolarHBondContact O-N 3.35Å; M447-F465 WeakPolarHBondContact O-CB 3.5Å; M447-T470 HydrophobicContact CB-CG2 4.48Å
448I97.4Very high84.8Confident24 Ų2450.4 Ų50.412%0.12330%0.302CS..Hα-helixtrans-69.8-31.8178.8-65.7160.2000112.6L444 E445 T470 L472L444-I448 WeakPolarHBondContact O-CD1 3.32Å; L444-I448 VanDerWaalsContact O-CG1 3.3Å; L444-I448 WeakPolarHBondContact O-CG1 3.37Å; L444-I448 PolarHBondContact O-N 3.01Å; E445-I448 PolarHBondContact O-N 3.47Å; I448-T470 WeakPolarHBondContact CD1-O 3.47Å; I448-T470 WeakPolarHBondContact CG1-O 3.43Å; I448-L472 HydrophobicContact CD1-CD2 3.97Å; I448-L472 HydrophobicContact CD1-CG 3.86Å
449E96.1Very high83.7Confident54 Ų5451.4 Ų51.425%0.25229%0.29SS..  trans-57.2124.5-171.5-167.3-171.7-155.200112.2H302 K303 E445 P453 F465H302-E449 IonicContact CD2-OE2 3.67Å; H302-E449 IonicContact CE1-OE2 2.7Å; H302-E449 IonicContact NE2-OE2 2.78Å; H302-E449 PolarHBondContact NE2-OE2 2.72Å; K303-E449 VanDerWaalsContact CE-O 3.26Å; K303-E449 WeakPolarHBondContact CE-O 3.29Å; K303-E449 PolarHBondContact NZ-O 3.4Å; E445-E449 PolarHBondContact O-N 2.75Å; E449-P453 WeakPolarHBondContact OE1-CB 3.19Å; E449-F465 WeakPolarHBondContact O-CD2 3.39Å
450P95.4Very high83.1Confident13 Ų1352.8 Ų52.88%0.08430%0.299CS..  trans-73.316517532.4-36.1000111.6P452 L461 V463 L464P450-P452 CarbonylContact O-C 3.44Å; P450-L461 HydrophobicContact CB-CD2 3.95Å; P450-L461 HydrophobicContact CG-CD2 3.77Å; P450-V463 CarbonylContact C-O 3.46Å; P450-V463 VanDerWaalsContact CA-O 3.24Å; P450-V463 WeakPolarHBondContact CA-O 3.45Å; P450-V463 WeakPolarHBondContact CB-O 3.33Å; P450-L464 HydrophobicContact CB-CG 4.33Å
451L93.3Very high83.1Confident0 Ų051.9 Ų51.90%029%0.29CS..BIsolated β-bridgetrans-111.1148.1173-56.1170.3000111.3W254 L299 P300 P453 Q462 V463 F465W254-L451 HydrophobicContact CD2-CB 4.44Å; W254-L451 HydrophobicContact CD2-CD1 4.35Å; W254-L451 HydrophobicContact CE3-CB 4.03Å; W254-L451 HydrophobicContact CH2-CB 4.34Å; W254-L451 HydrophobicContact CH2-CD1 4.23Å; W254-L451 HydrophobicContact CH2-CD2 4.22Å; W254-L451 HydrophobicContact CZ2-CD1 3.92Å; W254-L451 HydrophobicContact CZ3-CB 3.98Å; L299-L451 HydrophobicContact CD2-CD1 3.47Å; L299-L451 VanDerWaalsContact CD2-CD1 3.47Å; P300-L451 HydrophobicContact CG-CD2 3.7Å; L451-P453 HydrophobicContact CD2-CG 4.19Å; L451-Q462 WeakPolarHBondContact O-CA 3.15Å; L451-Q462 WeakPolarHBondContact O-CB 3.48Å; L451-Q462 PolarHBondContact O-N 3.17Å; L451-V463 HydrophobicContact CB-CB 4.04Å; L451-V463 HydrophobicContact CB-CG2 4.45Å; L451-V463 HydrophobicContact CD1-CB 4.27Å; L451-V463 HydrophobicContact CG-CB 4.5Å; L451-V463 PolarHBondContact N-O 3.39Å; L451-V463 PolarHBondContact O-N 2.95Å; L451-F465 HydrophobicContact CD1-CE2 4.04Å; L451-F465 HydrophobicContact CD1-CZ 4Å; L451-F465 HydrophobicContact CG-CE2 4.02Å; L451-F465 HydrophobicContact CG-CZ 4.48Å
452P90.7Very high83.2Confident9 Ų948 Ų486%0.05827%0.272CS..SBendcis-62.2152.6-12.727.8-35.3000112W254 P450 R459 P460W254-P452 HydrophobicContact CZ3-CB 4.16Å; P450-P452 CarbonylContact O-C 3.44Å; P452-R459 HydrophobicContact CG-CB 3.91Å; P452-P460 VanDerWaalsContact CD-O 3.29Å; P452-P460 WeakPolarHBondContact CD-O 3.15Å
453P83.1Confident83.4Confident31 Ų3143.1 Ų43.120%0.20125%0.249CC..  trans-53.3142.7176.2-26.735.4000111.4P300 E449 L451 A455P300-P453 HydrophobicContact CG-CG 4.06Å; E449-P453 WeakPolarHBondContact OE1-CB 3.19Å; L451-P453 HydrophobicContact CD2-CG 4.19Å; P453-A455 PolarHBondContact O-N 3.1Å
454S67.9Low83.5Confident102 Ų10242.9 Ų42.971%0.71325%0.248SC*.  trans-74.868.6-172.8-179.90000112.2
455A57Low83.7Confident84 Ų8443.1 Ų43.169%0.69425%0.249SC*.SBendtrans-80.6-20.4173.800000112.8P453P453-A455 PolarHBondContact O-N 3.1Å
456S51.9Low83.8Confident48 Ų4840 Ų4034%0.33624%0.235SC..  trans-158.4151.2169.888.40000110.7A458 R459S456-A458 PolarHBondContact O-N 2.97Å; S456-A458 WeakPolarHBondContact OG-CB 3.47Å; S456-A458 PolarHBondContact OG-N 3.23Å; S456-R459 PolarHBondContact O-N 3.11Å
457K55.3Low83.9Confident220 Ų22039.4 Ų39.496%0.95723%0.234SC*.THydrogen-bonded Turntrans-62.7-1.1173.4-67.6-177178.1-179.90113.9
458A56.5Low83.9Confident78 Ų7839.5 Ų39.565%0.64523%0.234SC*.THydrogen-bonded Turntrans-89.7-10.1-176.700000113.5S456S456-A458 PolarHBondContact O-N 2.97Å; S456-A458 WeakPolarHBondContact OG-CB 3.47Å; S456-A458 PolarHBondContact OG-N 3.23Å
459R66.6Low83.9Confident72 Ų7238.7 Ų38.727%0.27223%0.231SC..SBendtrans-93.4130.9179.3-63.1-174.6-177.9-170.1-0.8111.1N256 E258 P452 S456N256-R459 PolarHBondContact OD1-NH1 2.9Å; E258-R459 HydrophobicContact CG-CG 4.35Å; E258-R459 IonicContact OE1-NE 3.77Å; P452-R459 HydrophobicContact CG-CB 3.91Å; S456-R459 PolarHBondContact O-N 3.11Å
460P78.3Confident84Confident38 Ų3836.4 Ų36.425%0.24722%0.221CC..PPolyproline II helixtrans-66.1140.1174.328.1-32.3000109.5P452P452-P460 VanDerWaalsContact CD-O 3.29Å; P452-P460 WeakPolarHBondContact CD-O 3.15Å
461L89.1Confident84.1Confident29 Ų2937.1 Ų37.115%0.15222%0.223CC..PPolyproline II helixtrans-60.7142.2166.7-68.3171.7000108.3H277 P450 R491 L492 H495H277-L461 PolarHBondContact CE1-O 3.08Å; H277-L461 PolarHBondContact ND1-O 2.98Å; P450-L461 HydrophobicContact CB-CD2 3.95Å; P450-L461 HydrophobicContact CG-CD2 3.77Å; L461-R491 HydrophobicContact CD1-CG 4.02Å; L461-L492 HydrophobicContact CD1-CD2 4.41Å; L461-H495 HydrophobicContact CD1-CB 4.24Å
462Q93.8Very high84.2Confident2 Ų239 Ų391%0.00923%0.233CC..  trans-131.3-52.7-177.3-73.1-166.8-28.300112.2S255 Q260 S261 V263 H277 V278 L451S255-Q462 PolarHBondContact O-OE1 3.4Å; Q260-Q462 PolarHBondContact O-NE2 3.1Å; S261-Q462 VanDerWaalsContact C-NE2 3.31Å; S261-Q462 PolarHBondContact O-NE2 2.89Å; V263-Q462 HydrophobicContact CG2-CB 3.58Å; V263-Q462 HydrophobicContact CG2-CG 3.88Å; H277-Q462 CarbonylContact C-O 3.56Å; H277-Q462 WeakPolarHBondContact CA-O 3.43Å; V278-Q462 PolarHBondContact N-O 3.36Å; L451-Q462 WeakPolarHBondContact O-CA 3.15Å; L451-Q462 WeakPolarHBondContact O-CB 3.48Å; L451-Q462 PolarHBondContact O-N 3.17Å
463V97.2Very high84.5Confident0 Ų042 Ų420%024%0.244CC..EExtended strand (participates in β ladder)trans-123.9123.6-177.7-170.70000109.3V252 W254 V278 V280 F295 P450 L451 F465V252-V463 HydrophobicContact CG1-CG2 4.1Å; W254-V463 HydrophobicContact CB-CG2 3.83Å; W254-V463 HydrophobicContact CG-CG2 4.08Å; V278-V463 CarbonylContact O-C 3.5Å; V278-V463 WeakPolarHBondContact O-CA 3.45Å; V280-V463 HydrophobicContact CG2-CG1 3.74Å; F295-V463 HydrophobicContact CE1-CG1 3.99Å; P450-V463 CarbonylContact C-O 3.46Å; P450-V463 VanDerWaalsContact CA-O 3.24Å; P450-V463 WeakPolarHBondContact CA-O 3.45Å; P450-V463 WeakPolarHBondContact CB-O 3.33Å; L451-V463 HydrophobicContact CB-CB 4.04Å; L451-V463 HydrophobicContact CB-CG2 4.45Å; L451-V463 HydrophobicContact CD1-CB 4.27Å; L451-V463 HydrophobicContact CG-CB 4.5Å; L451-V463 PolarHBondContact N-O 3.39Å; L451-V463 PolarHBondContact O-N 2.95Å; V463-F465 HydrophobicContact CG1-CE2 4.06Å; V463-F465 HydrophobicContact CG1-CZ 3.91Å
464L98.3Very high85.1Confident0 Ų042.2 Ų42.20%024%0.241CC..EExtended strand (participates in β ladder)trans-114.1152.6179.7-65.485.9000108.4H277 V278 I279 V280 P450 E488 R491 L492H277-L464 HydrophobicContact CB-CD1 4.27Å; V278-L464 PolarHBondContact O-N 2.91Å; I279-L464 HydrophobicContact CG1-CB 4.22Å; V280-L464 PolarHBondContact N-O 3.41Å; P450-L464 HydrophobicContact CB-CG 4.33Å; L464-E488 HydrophobicContact CB-CB 4.22Å; L464-E488 HydrophobicContact CB-CG 4.21Å; L464-E488 WeakPolarHBondContact CB-OE2 3.44Å; L464-E488 HydrophobicContact CD2-CB 4.09Å; L464-E488 WeakPolarHBondContact CD2-OE2 3.36Å; L464-R491 HydrophobicContact CD2-CB 4.25Å; L464-R491 HydrophobicContact CD2-CG 4.37Å; L464-L492 HydrophobicContact CD1-CD1 4.49Å; L464-L492 HydrophobicContact CD1-CD2 3.9Å; L464-L492 HydrophobicContact CD1-CG 4.41Å; L464-L492 HydrophobicContact CD2-CD1 4.31Å; L464-L492 HydrophobicContact CD2-CD2 3.77Å; L464-L492 HydrophobicContact CD2-CG 3.72Å
465F98.8Very high86.4Confident7 Ų738 Ų383%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-123123.7-177.4-63.1-92.5000110.3V280 F295 L299 K303 M447 E449 L451 V463 T470 R487 E488V280-F465 HydrophobicContact CB-CD1 4.25Å; V280-F465 HydrophobicContact CB-CE1 4.42Å; F295-F465 HydrophobicContact CE1-CE1 4.2Å; F295-F465 HydrophobicContact CE1-CZ 4.18Å; F295-F465 AromaticContact CZ-CE1 3.73Å; F295-F465 HydrophobicContact CZ-CE1 3.73Å; F295-F465 HydrophobicContact CZ-CZ 4.13Å; L299-F465 HydrophobicContact CD2-CZ 4.01Å; K303-F465 HydrophobicContact CD-CE2 4.07Å; K303-F465 HydrophobicContact CD-CZ 3.96Å; M447-F465 WeakPolarHBondContact O-CB 3.5Å; E449-F465 WeakPolarHBondContact O-CD2 3.39Å; L451-F465 HydrophobicContact CD1-CE2 4.04Å; L451-F465 HydrophobicContact CD1-CZ 4Å; L451-F465 HydrophobicContact CG-CE2 4.02Å; L451-F465 HydrophobicContact CG-CZ 4.48Å; V463-F465 HydrophobicContact CG1-CE2 4.06Å; V463-F465 HydrophobicContact CG1-CZ 3.91Å; F465-T470 HydrophobicContact CB-CG2 4.21Å; F465-R487 PolarHBondContact O-NH2 2.99Å; F465-E488 VanDerWaalsContact O-CG 3.24Å; F465-E488 WeakPolarHBondContact O-CG 3.46Å
466A98.9Very high88.3Confident4 Ų435.6 Ų35.63%0.03319%0.187CC..  trans-131.3174171.900000109.7A25 I279 V280 T281 T484 E488A25-A466 HydrophobicContact CB-CB 4.35Å; I279-A466 HydrophobicContact CG2-CB 4.14Å; V280-A466 PolarHBondContact O-N 3.27Å; T281-A466 WeakPolarHBondContact CA-O 3.43Å; T281-A466 HydrophobicContact CG2-CB 4.07Å; A466-T484 WeakPolarHBondContact CB-O 3.47Å; A466-E488 HydrophobicContact CB-CB 4.48Å; A466-E488 HydrophobicContact CB-CG 3.97Å
467G98.7Very high90.5Very high8 Ų833.9 Ų33.98%0.08218%0.175CC..SBendtrans114.2160.6-170.800000111.6A469 T470 T484G467-A469 VanDerWaalsContact C-N 3.26Å; G467-A469 PolarHBondContact O-N 3.49Å; G467-A469 VanDerWaalsContact O-N 3.15Å; G467-T470 WeakPolarHBondContact O-CB 3.48Å; G467-T470 PolarHBondContact O-N 3.13Å; G467-T470 PolarHBondContact O-OG1 3.02Å; G467-T484 PolarHBondContact N-OG1 3.28Å; G467-T484 PolarHBondContact O-OG1 2.64Å
468E98.2Very high92.5Very high6 Ų624.2 Ų24.23%0.02813%0.134CC..G310 helixtrans-52.8-39.3-171.856.982.8-170.900113.9R53 S433 T470 H471 F475 S476 A481R53-E468 IonicContact CZ-OE1 3.19Å; R53-E468 IonicContact NH1-OE1 2.67Å; R53-E468 PolarHBondContact NH1-OE1 2.89Å; R53-E468 IonicContact NH2-OE1 2.73Å; R53-E468 PolarHBondContact NH2-OE1 3.4Å; S433-E468 WeakPolarHBondContact CB-OE2 3.46Å; S433-E468 PolarHBondContact N-OE1 3.16Å; S433-E468 PolarHBondContact OG-OE2 3.38Å; E468-T470 PolarHBondContact O-N 3.19Å; E468-H471 PolarHBondContact O-N 3.43Å; E468-H471 VanDerWaalsContact O-N 3.13Å; E468-F475 WeakPolarHBondContact O-CA 3.14Å; E468-S476 VanDerWaalsContact OE2-CA 3.27Å; E468-S476 WeakPolarHBondContact OE2-CA 3.36Å; E468-S476 PolarHBondContact OE2-N 3.26Å; E468-A481 HydrophobicContact CB-CB 4.14Å
469A97.9Very high94.5Very high7 Ų720.7 Ų20.76%0.05810%0.104CC..G310 helixtrans-70.64.3179.700000114.2L284 L310 G467L284-A469 HydrophobicContact CB-CB 3.77Å; L284-A469 HydrophobicContact CD2-CB 4.06Å; L284-A469 HydrophobicContact CG-CB 4.43Å; L310-A469 HydrophobicContact CD2-CB 4.4Å; G467-A469 VanDerWaalsContact C-N 3.26Å; G467-A469 PolarHBondContact O-N 3.49Å; G467-A469 VanDerWaalsContact O-N 3.15Å
470T98.2Very high96Very high6 Ų617.3 Ų17.34%0.0379%0.092CC..G310 helixtrans-114.19.7177750000112.2M447 I448 F465 G467 E468 T484 R487M447-T470 HydrophobicContact CB-CG2 4.48Å; I448-T470 WeakPolarHBondContact CD1-O 3.47Å; I448-T470 WeakPolarHBondContact CG1-O 3.43Å; F465-T470 HydrophobicContact CB-CG2 4.21Å; G467-T470 WeakPolarHBondContact O-CB 3.48Å; G467-T470 PolarHBondContact O-N 3.13Å; G467-T470 PolarHBondContact O-OG1 3.02Å; E468-T470 PolarHBondContact O-N 3.19Å; T470-T484 WeakPolarHBondContact OG1-CB 3.47Å; T470-T484 WeakPolarHBondContact OG1-CG2 3.49Å; T470-R487 PolarHBondContact O-NH1 3.24Å; T470-R487 PolarHBondContact OG1-NH2 3.42Å
471H97.7Very high97Very high29 Ų2915.9 Ų15.913%0.1348%0.083CC..  trans-97.2135173.7-159-77.2000111.1E468 Y473 Y474 T484E468-H471 PolarHBondContact O-N 3.43Å; E468-H471 VanDerWaalsContact O-N 3.13Å; H471-Y473 PolarHBondContact ND1-N 3.32Å; H471-Y473 VanDerWaalsContact ND1-N 3.14Å; H471-Y473 PolarHBondContact O-N 3.05Å; H471-Y474 AromaticContact CE1-CD2 3.11Å; H471-Y474 WeakPolarHBondContact CE1-CD2 3.47Å; H471-Y474 AromaticContact CE1-CE2 3.84Å; H471-Y474 AromaticContact CE1-CG 3.79Å; H471-Y474 WeakPolarHBondContact ND1-CB 3.49Å; H471-Y474 AromaticContact ND1-CD2 3.64Å; H471-Y474 AromaticContact ND1-CG 3.84Å; H471-Y474 PolarHBondContact ND1-N 3.29Å; H471-Y474 AromaticContact NE2-CD2 3.62Å; H471-T484 HydrophobicContact CB-CG2 3.78Å
472L95.1Very high97.5Very high38 Ų3814.6 Ų14.620%0.1998%0.076CC..SBendtrans-67.1-34.2-177.6-72.1173.2000113.7Q212 Q441 L444 E445 I448Q212-L472 VanDerWaalsContact CG-O 3.25Å; Q212-L472 WeakPolarHBondContact CG-O 3.28Å; Q441-L472 HydrophobicContact CG-CD2 4.12Å; L444-L472 HydrophobicContact CB-CD2 3.67Å; L444-L472 HydrophobicContact CD1-CD2 4.31Å; E445-L472 HydrophobicContact CG-CD2 4.28Å; I448-L472 HydrophobicContact CD1-CD2 3.97Å; I448-L472 HydrophobicContact CD1-CG 3.86Å
473Y95.4Very high97.7Very high74 Ų7416.6 Ų16.629%0.299%0.087SC..SBendtrans-125.9-12.1-168.9-53.2-63.3000115.2Q212 K214 H471Q212-Y473 HydrophobicContact CG-CD1 4.42Å; Q212-Y473 WeakPolarHBondContact O-CD1 3.38Å; K214-Y473 HydrophobicContact CD-CD1 4.03Å; K214-Y473 HydrophobicContact CD-CD2 4.47Å; K214-Y473 HydrophobicContact CD-CG 3.89Å; K214-Y473 HydrophobicContact CG-CD1 4.3Å; K214-Y473 HydrophobicContact CG-CG 4.31Å; K214-Y473 PolarHBondContact N-O 3.46Å; H471-Y473 PolarHBondContact ND1-N 3.32Å; H471-Y473 VanDerWaalsContact ND1-N 3.14Å; H471-Y473 PolarHBondContact O-N 3.05Å
474Y96.2Very high97.8Very high35 Ų3516.6 Ų16.614%0.1379%0.087CC..  trans-133.235.2-171.1-57.4-51.3000108.8K214 F216 H471 T477 H479 G480 L483K214-Y474 HydrophobicContact CB-CD1 4.26Å; K214-Y474 HydrophobicContact CB-CE1 3.57Å; K214-Y474 VanDerWaalsContact O-CD1 3.26Å; K214-Y474 WeakPolarHBondContact O-CD1 3.41Å; K214-Y474 VanDerWaalsContact O-CE1 3.24Å; K214-Y474 WeakPolarHBondContact O-CE1 3.26Å; F216-Y474 HydrophobicContact CD2-CE1 4.31Å; F216-Y474 HydrophobicContact CE1-CE2 4.41Å; F216-Y474 AromaticContact CE1-CZ 3.92Å; F216-Y474 WeakPolarHBondContact CE1-OH 3.4Å; F216-Y474 HydrophobicContact CE2-CD1 4.33Å; F216-Y474 HydrophobicContact CE2-CD2 4.37Å; F216-Y474 AromaticContact CE2-CE1 3.86Å; F216-Y474 HydrophobicContact CE2-CE1 3.86Å; F216-Y474 AromaticContact CE2-CE2 3.94Å; F216-Y474 HydrophobicContact CE2-CE2 3.94Å; F216-Y474 AromaticContact CE2-CZ 3.68Å; F216-Y474 HydrophobicContact CZ-CD2 4.37Å; F216-Y474 HydrophobicContact CZ-CE1 4.04Å; F216-Y474 AromaticContact CZ-CE2 3.56Å; F216-Y474 HydrophobicContact CZ-CE2 3.56Å; F216-Y474 AromaticContact CZ-CZ 3.38Å; F216-Y474 WeakPolarHBondContact CZ-OH 3.2Å; H471-Y474 AromaticContact CE1-CD2 3.11Å; H471-Y474 WeakPolarHBondContact CE1-CD2 3.47Å; H471-Y474 AromaticContact CE1-CE2 3.84Å; H471-Y474 AromaticContact CE1-CG 3.79Å; H471-Y474 WeakPolarHBondContact ND1-CB 3.49Å; H471-Y474 AromaticContact ND1-CD2 3.64Å; H471-Y474 AromaticContact ND1-CG 3.84Å; H471-Y474 PolarHBondContact ND1-N 3.29Å; H471-Y474 AromaticContact NE2-CD2 3.62Å; Y474-T477 PolarHBondContact O-OG1 3.12Å; Y474-T477 VanDerWaalsContact O-OG1 3.07Å; Y474-H479 AromaticContact CD1-NE2 3.72Å; Y474-H479 AromaticContact CG-CD2 3.76Å; Y474-H479 AromaticContact CG-NE2 3.81Å; Y474-G480 VanDerWaalsContact O-CA 3.3Å; Y474-G480 WeakPolarHBondContact O-CA 3.37Å; Y474-L483 HydrophobicContact CD2-CD1 3.85Å; Y474-L483 HydrophobicContact CE2-CD1 4.23Å
475F95.7Very high97.8Very high14 Ų1416.6 Ų16.66%0.0619%0.087CC..THydrogen-bonded Turntrans-60.2157.8173.147.6-93.6000109.5Q212 Y213 L435 E468 T477Q212-F475 HydrophobicContact CB-CE1 4.49Å; Q212-F475 HydrophobicContact CG-CE1 4.38Å; Y213-F475 HydrophobicContact CD2-CD2 4.36Å; Y213-F475 HydrophobicContact CD2-CE1 4.41Å; Y213-F475 AromaticContact CD2-CE2 3.94Å; Y213-F475 HydrophobicContact CD2-CE2 3.94Å; Y213-F475 AromaticContact CD2-CZ 3.98Å; Y213-F475 HydrophobicContact CD2-CZ 3.98Å; Y213-F475 HydrophobicContact CG-CZ 4.37Å; L435-F475 HydrophobicContact CD1-CD1 4.45Å; L435-F475 HydrophobicContact CD1-CE1 3.6Å; L435-F475 HydrophobicContact CD1-CE2 4.49Å; L435-F475 HydrophobicContact CD1-CZ 3.62Å; L435-F475 HydrophobicContact CD2-CD1 4.39Å; L435-F475 HydrophobicContact CD2-CE1 4.26Å; L435-F475 HydrophobicContact CD2-CZ 4.38Å; L435-F475 HydrophobicContact CG-CD1 4.47Å; L435-F475 HydrophobicContact CG-CE1 3.9Å; L435-F475 HydrophobicContact CG-CE2 4.03Å; L435-F475 HydrophobicContact CG-CZ 3.64Å; E468-F475 WeakPolarHBondContact O-CA 3.14Å; F475-T477 PolarHBondContact O-N 3.22Å; F475-T477 VanDerWaalsContact O-N 3.14Å
476S96.6Very high97.8Very high32 Ų3219 Ų1922%0.22410%0.096CC..THydrogen-bonded Turntrans70.33177.7-43.30000116.5S433 E468S433-S476 VanDerWaalsContact C-OG 3.31Å; S433-S476 PolarHBondContact O-OG 3.18Å; S433-S476 PolarHBondContact OG-OG 3.49Å; E468-S476 VanDerWaalsContact OE2-CA 3.27Å; E468-S476 WeakPolarHBondContact OE2-CA 3.36Å; E468-S476 PolarHBondContact OE2-N 3.26Å
477T97.9Very high97.8Very high13 Ų1321.8 Ų21.88%0.0811%0.106CC..SBendtrans-116.2160-17875.10000113.9Y213 Y474 F475 H479 G480 A481Y213-T477 HydrophobicContact CE2-CG2 3.97Å; Y213-T477 WeakPolarHBondContact OH-CG2 3.37Å; Y474-T477 PolarHBondContact O-OG1 3.12Å; Y474-T477 VanDerWaalsContact O-OG1 3.07Å; F475-T477 PolarHBondContact O-N 3.22Å; F475-T477 VanDerWaalsContact O-N 3.14Å; T477-H479 WeakPolarHBondContact CB-CE1 3.43Å; T477-H479 PolarHBondContact OG1-CD2 3.5Å; T477-H479 PolarHBondContact OG1-CE1 2.74Å; T477-H479 PolarHBondContact OG1-ND1 2.83Å; T477-H479 PolarHBondContact OG1-NE2 2.87Å; T477-G480 PolarHBondContact OG1-N 3.41Å; T477-A481 PolarHBondContact O-N 2.99Å; T477-A481 VanDerWaalsContact O-N 3.08Å
478V98.5Very high97.8Very high16 Ų1621.4 Ų21.410%0.09710%0.102CC..Hα-helixtrans-64.5-43.2173.1175.60000111.3I24 I54 A68 V80 Y227 A481 L482I24-V478 HydrophobicContact CG1-CG1 4.22Å; I24-V478 HydrophobicContact CG2-CG1 4.25Å; I54-V478 HydrophobicContact CD1-CG1 3.74Å; I54-V478 HydrophobicContact CD1-CG2 3.97Å; I54-V478 HydrophobicContact CG1-CG2 4Å; A68-V478 HydrophobicContact CB-CG2 3.52Å; V80-V478 HydrophobicContact CG1-CG1 4.44Å; V80-V478 HydrophobicContact CG2-CB 4.41Å; V80-V478 HydrophobicContact CG2-CG1 3.8Å; Y227-V478 HydrophobicContact CE1-CB 4.47Å; Y227-V478 HydrophobicContact CE1-CG1 3.98Å; Y227-V478 HydrophobicContact CE1-CG2 4.25Å; Y227-V478 HydrophobicContact CE2-CG2 4.42Å; V478-A481 PolarHBondContact O-N 3.16Å; V478-L482 WeakPolarHBondContact O-CB 3.4Å; V478-L482 PolarHBondContact O-N 2.89Å
479H98.1Very high97.8Very high5 Ų521.1 Ų21.12%0.02310%0.1CC..Hα-helixtrans-67.3-37.9-18054.8-98.7000111.7N78 P79 V80 F216 Y474 T477 L482 L483N78-H479 WeakPolarHBondContact OD1-CB 3.26Å; P79-H479 HydrophobicContact CG-CB 4.15Å; V80-H479 HydrophobicContact CB-CB 4.33Å; V80-H479 VanDerWaalsContact CG2-CA 3.49Å; V80-H479 HydrophobicContact CG2-CB 3.62Å; F216-H479 AromaticContact CE2-CD2 3.78Å; Y474-H479 AromaticContact CD1-NE2 3.72Å; Y474-H479 AromaticContact CG-CD2 3.76Å; Y474-H479 AromaticContact CG-NE2 3.81Å; T477-H479 WeakPolarHBondContact CB-CE1 3.43Å; T477-H479 PolarHBondContact OG1-CD2 3.5Å; T477-H479 PolarHBondContact OG1-CE1 2.74Å; T477-H479 PolarHBondContact OG1-ND1 2.83Å; T477-H479 PolarHBondContact OG1-NE2 2.87Å; H479-L482 PolarHBondContact O-N 3.43Å; H479-L483 WeakPolarHBondContact O-CB 3.38Å; H479-L483 WeakPolarHBondContact O-CG 3.38Å; H479-L483 PolarHBondContact O-N 3.35Å
480G98.3Very high97.8Very high0 Ų023.6 Ų23.60%011%0.113CC..Hα-helixtrans-62.3-45.9172.200000112.5Y474 T477 L482 L483 T484Y474-G480 VanDerWaalsContact O-CA 3.3Å; Y474-G480 WeakPolarHBondContact O-CA 3.37Å; T477-G480 PolarHBondContact OG1-N 3.41Å; G480-L482 PolarHBondContact O-N 3.4Å; G480-L483 PolarHBondContact O-N 3.18Å; G480-T484 WeakPolarHBondContact O-CG2 3.49Å; G480-T484 PolarHBondContact O-N 2.9Å; G480-T484 PolarHBondContact O-OG1 2.98Å
481A98.8Very high97.7Very high9 Ų927 Ų277%0.07413%0.125CC..Hα-helixtrans-58.4-47.1174.500000112I24 A25 E468 T477 V478 L483 T484 G485I24-A481 HydrophobicContact CG2-CB 3.48Å; I24-A481 VanDerWaalsContact CG2-CB 3.48Å; A25-A481 WeakPolarHBondContact CA-O 3.45Å; A25-A481 HydrophobicContact CB-CB 4.28Å; A25-A481 VanDerWaalsContact CB-O 3.22Å; A25-A481 WeakPolarHBondContact CB-O 3.47Å; E468-A481 HydrophobicContact CB-CB 4.14Å; T477-A481 PolarHBondContact O-N 2.99Å; T477-A481 VanDerWaalsContact O-N 3.08Å; V478-A481 PolarHBondContact O-N 3.16Å; A481-L483 PolarHBondContact O-N 3.34Å; A481-T484 PolarHBondContact O-N 3.32Å; A481-T484 PolarHBondContact O-OG1 3.08Å; A481-G485 PolarHBondContact O-N 3.45Å; A481-G485 VanDerWaalsContact O-N 3.14Å
482L98.8Very high97.5Very high1 Ų125.6 Ų25.61%0.00512%0.118CC..Hα-helixtrans-58.1-49.6177.1-177.3154.4000111.9I24 A28 P79 V80 L83 V478 H479 G480 T484 G485 W486I24-L482 HydrophobicContact CD1-CD1 4.21Å; I24-L482 HydrophobicContact CG1-CB 3.95Å; I24-L482 HydrophobicContact CG1-CD1 4.15Å; I24-L482 HydrophobicContact CG1-CG 4.37Å; A28-L482 HydrophobicContact CB-CG 4.07Å; P79-L482 HydrophobicContact CB-CD2 3.86Å; P79-L482 HydrophobicContact CG-CD2 3.99Å; V80-L482 HydrophobicContact CG2-CD1 4.07Å; L83-L482 HydrophobicContact CD1-CD1 3.56Å; V478-L482 WeakPolarHBondContact O-CB 3.4Å; V478-L482 PolarHBondContact O-N 2.89Å; H479-L482 PolarHBondContact O-N 3.43Å; G480-L482 PolarHBondContact O-N 3.4Å; L482-T484 VanDerWaalsContact C-N 3.3Å; L482-T484 PolarHBondContact O-N 3.27Å; L482-G485 PolarHBondContact O-N 2.67Å; L482-G485 VanDerWaalsContact O-N 3.1Å; L482-W486 HydrophobicContact CD2-CD2 3.69Å; L482-W486 HydrophobicContact CD2-CE3 3.73Å; L482-W486 HydrophobicContact CD2-CH2 3.56Å; L482-W486 HydrophobicContact CD2-CZ2 3.52Å; L482-W486 HydrophobicContact CD2-CZ3 3.66Å; L482-W486 HydrophobicContact CG-CZ2 4.46Å; L482-W486 PolarHBondContact O-N 3.13Å; L482-W486 VanDerWaalsContact O-N 3.12Å
483L98.8Very high97.5Very high44 Ų4425.2 Ų25.223%0.2312%0.116CC..Hα-helixtrans-59.9-38.6178.7-73.6170.1000112.3P79 Y474 H479 G480 A481 G485 W486 R487P79-L483 HydrophobicContact CG-CD1 4.27Å; P79-L483 HydrophobicContact CG-CD2 3.89Å; P79-L483 HydrophobicContact CG-CG 3.89Å; Y474-L483 HydrophobicContact CD2-CD1 3.85Å; Y474-L483 HydrophobicContact CE2-CD1 4.23Å; H479-L483 WeakPolarHBondContact O-CB 3.38Å; H479-L483 WeakPolarHBondContact O-CG 3.38Å; H479-L483 PolarHBondContact O-N 3.35Å; G480-L483 PolarHBondContact O-N 3.18Å; A481-L483 PolarHBondContact O-N 3.34Å; L483-G485 VanDerWaalsContact C-N 3.32Å; L483-G485 PolarHBondContact O-N 3.23Å; L483-W486 HydrophobicContact CD2-CE3 3.97Å; L483-W486 HydrophobicContact CD2-CZ3 4.19Å; L483-W486 PolarHBondContact O-N 2.69Å; L483-R487 WeakPolarHBondContact O-CB 3.38Å; L483-R487 PolarHBondContact O-N 3.28Å
484T98.9Very high97.3Very high0 Ų024.7 Ų24.70%013%0.127CC..Hα-helixtrans-68.2-32.2177.365.60000112.4A466 G467 T470 H471 G480 A481 L482 R487 E488A466-T484 WeakPolarHBondContact CB-O 3.47Å; G467-T484 PolarHBondContact N-OG1 3.28Å; G467-T484 PolarHBondContact O-OG1 2.64Å; T470-T484 WeakPolarHBondContact OG1-CB 3.47Å; T470-T484 WeakPolarHBondContact OG1-CG2 3.49Å; H471-T484 HydrophobicContact CB-CG2 3.78Å; G480-T484 WeakPolarHBondContact O-CG2 3.49Å; G480-T484 PolarHBondContact O-N 2.9Å; G480-T484 PolarHBondContact O-OG1 2.98Å; A481-T484 PolarHBondContact O-N 3.32Å; A481-T484 PolarHBondContact O-OG1 3.08Å; L482-T484 VanDerWaalsContact C-N 3.3Å; L482-T484 PolarHBondContact O-N 3.27Å; T484-R487 WeakPolarHBondContact O-CB 3.32Å; T484-R487 PolarHBondContact O-N 3.15Å; T484-E488 PolarHBondContact O-N 3.13Å; T484-E488 VanDerWaalsContact O-N 3.12Å
485G98.9Very high96.9Very high0 Ų027.1 Ų27.10%014%0.14CC..Hα-helixtrans-63.1-49.5172.200000111.8A25 A29 A481 L482 L483 R487 E488 A489A25-G485 WeakPolarHBondContact O-CA 3.41Å; A29-G485 WeakPolarHBondContact CA-O 3.22Å; A29-G485 WeakPolarHBondContact CB-O 3.45Å; A481-G485 PolarHBondContact O-N 3.45Å; A481-G485 VanDerWaalsContact O-N 3.14Å; L482-G485 PolarHBondContact O-N 2.67Å; L482-G485 VanDerWaalsContact O-N 3.1Å; L483-G485 VanDerWaalsContact C-N 3.32Å; L483-G485 PolarHBondContact O-N 3.23Å; G485-R487 VanDerWaalsContact C-N 3.33Å; G485-R487 PolarHBondContact O-N 2.91Å; G485-E488 PolarHBondContact O-N 2.92Å; G485-A489 WeakPolarHBondContact O-CB 3.37Å; G485-A489 PolarHBondContact O-N 3.3Å; G485-A489 VanDerWaalsContact O-N 3.08Å
486W98.8Very high96.5Very high59 Ų5928.4 Ų28.422%0.22314%0.144CC..Hα-helixtrans-59.2-42.4173.1-70-12.7000112.4P79 L83 L482 L483 E488 A489 D490P79-W486 HydrophobicContact CB-CH2 3.75Å; P79-W486 HydrophobicContact CB-CZ3 3.71Å; L83-W486 HydrophobicContact CD1-CZ2 4.36Å; L482-W486 HydrophobicContact CD2-CD2 3.69Å; L482-W486 HydrophobicContact CD2-CE3 3.73Å; L482-W486 HydrophobicContact CD2-CH2 3.56Å; L482-W486 HydrophobicContact CD2-CZ2 3.52Å; L482-W486 HydrophobicContact CD2-CZ3 3.66Å; L482-W486 HydrophobicContact CG-CZ2 4.46Å; L482-W486 PolarHBondContact O-N 3.13Å; L482-W486 VanDerWaalsContact O-N 3.12Å; L483-W486 HydrophobicContact CD2-CE3 3.97Å; L483-W486 HydrophobicContact CD2-CZ3 4.19Å; L483-W486 PolarHBondContact O-N 2.69Å; W486-E488 PolarHBondContact O-N 2.72Å; W486-A489 PolarHBondContact O-N 3.09Å; W486-D490 VanDerWaalsContact O-CB 3.31Å; W486-D490 WeakPolarHBondContact O-CB 3.35Å; W486-D490 VanDerWaalsContact O-CG 3.29Å; W486-D490 PolarHBondContact O-N 2.93Å
487R98.7Very high95.9Very high62 Ų6230.6 Ų30.623%0.23416%0.157CC..Hα-helixtrans-56.6-49.1178.2-179-168.668.6-147-2.9112.3F465 T470 L483 T484 G485 D490 R491F465-R487 PolarHBondContact O-NH2 2.99Å; T470-R487 PolarHBondContact O-NH1 3.24Å; T470-R487 PolarHBondContact OG1-NH2 3.42Å; L483-R487 WeakPolarHBondContact O-CB 3.38Å; L483-R487 PolarHBondContact O-N 3.28Å; T484-R487 WeakPolarHBondContact O-CB 3.32Å; T484-R487 PolarHBondContact O-N 3.15Å; G485-R487 VanDerWaalsContact C-N 3.33Å; G485-R487 PolarHBondContact O-N 2.91Å; R487-D490 PolarHBondContact O-N 3.43Å; R487-R491 PolarHBondContact O-N 3.29Å
488E98.7Very high94.2Very high0 Ų034.1 Ų34.10%018%0.18CC..Hα-helixtrans-74.7-32.3-177.4-63.7-49.3118.200112.4I279 L464 F465 A466 T484 G485 W486 R491 L492I279-E488 HydrophobicContact CD1-CB 4.39Å; I279-E488 HydrophobicContact CG2-CB 4.2Å; L464-E488 HydrophobicContact CB-CB 4.22Å; L464-E488 HydrophobicContact CB-CG 4.21Å; L464-E488 WeakPolarHBondContact CB-OE2 3.44Å; L464-E488 HydrophobicContact CD2-CB 4.09Å; L464-E488 WeakPolarHBondContact CD2-OE2 3.36Å; F465-E488 VanDerWaalsContact O-CG 3.24Å; F465-E488 WeakPolarHBondContact O-CG 3.46Å; A466-E488 HydrophobicContact CB-CB 4.48Å; A466-E488 HydrophobicContact CB-CG 3.97Å; T484-E488 PolarHBondContact O-N 3.13Å; T484-E488 VanDerWaalsContact O-N 3.12Å; G485-E488 PolarHBondContact O-N 2.92Å; W486-E488 PolarHBondContact O-N 2.72Å; E488-R491 WeakPolarHBondContact O-CB 3.47Å; E488-R491 PolarHBondContact O-N 3.44Å; E488-R491 IonicContact OE1-CZ 3.84Å; E488-R491 IonicContact OE1-NE 3.95Å; E488-R491 PolarHBondContact OE1-NE 3.48Å; E488-R491 IonicContact OE1-NH2 2.9Å; E488-R491 PolarHBondContact OE1-NH2 3.32Å; E488-R491 IonicContact OE2-CZ 3.52Å; E488-R491 IonicContact OE2-NE 3.24Å; E488-R491 PolarHBondContact OE2-NE 2.95Å; E488-R491 IonicContact OE2-NH2 3.83Å; E488-L492 PolarHBondContact O-N 2.83Å
489A98.4Very high92Very high0 Ų039.8 Ų39.80%022%0.215CC..Hα-helixtrans-61.2-48.8168.400000111.7A29 R32 L33 G485 W486 R491 L492 I493A29-A489 HydrophobicContact CB-CB 4.37Å; R32-A489 HydrophobicContact CB-CB 3.64Å; R32-A489 HydrophobicContact CG-CB 3.72Å; L33-A489 HydrophobicContact CD2-CB 4.14Å; L33-A489 HydrophobicContact CG-CB 3.79Å; G485-A489 WeakPolarHBondContact O-CB 3.37Å; G485-A489 PolarHBondContact O-N 3.3Å; G485-A489 VanDerWaalsContact O-N 3.08Å; W486-A489 PolarHBondContact O-N 3.09Å; A489-R491 VanDerWaalsContact C-N 3.25Å; A489-R491 PolarHBondContact O-N 2.73Å; A489-L492 PolarHBondContact O-N 3.37Å; A489-L492 VanDerWaalsContact O-N 3.08Å; A489-I493 WeakPolarHBondContact O-CD1 3.34Å; A489-I493 VanDerWaalsContact O-CG1 3.29Å; A489-I493 WeakPolarHBondContact O-CG1 3.35Å; A489-I493 PolarHBondContact O-N 3.17Å
490D97.6Very high89.3Confident59 Ų5945.1 Ų45.132%0.31624%0.243SC..Hα-helixtrans-63.1-32.9178.7-74.8-10.6000111.6R32 W486 R487 I493 A494R32-D490 WeakPolarHBondContact CG-OD1 3.49Å; R32-D490 IonicContact CZ-OD1 3.04Å; R32-D490 IonicContact CZ-OD2 2.69Å; R32-D490 IonicContact NE-OD1 3.83Å; R32-D490 PolarHBondContact NE-OD1 3.35Å; R32-D490 IonicContact NE-OD2 2.76Å; R32-D490 IonicContact NH2-OD1 3.1Å; R32-D490 PolarHBondContact NH2-OD1 2.92Å; R32-D490 IonicContact NH2-OD2 2.76Å; R32-D490 PolarHBondContact NH2-OD2 3.46Å; W486-D490 VanDerWaalsContact O-CB 3.31Å; W486-D490 WeakPolarHBondContact O-CB 3.35Å; W486-D490 VanDerWaalsContact O-CG 3.29Å; W486-D490 PolarHBondContact O-N 2.93Å; R487-D490 PolarHBondContact O-N 3.43Å; D490-I493 PolarHBondContact O-N 2.83Å; D490-A494 VanDerWaalsContact O-CB 3.25Å; D490-A494 WeakPolarHBondContact O-CB 3.15Å; D490-A494 PolarHBondContact O-N 2.76Å
491R95.5Very high86.7Confident77 Ų7750.8 Ų50.829%0.29128%0.28SS..Hα-helixtrans-59.6-45.8171.5-168.4-170.4-56-82.4-1.6111.6L461 L464 R487 E488 A489 H495L461-R491 HydrophobicContact CD1-CG 4.02Å; L464-R491 HydrophobicContact CD2-CB 4.25Å; L464-R491 HydrophobicContact CD2-CG 4.37Å; R487-R491 PolarHBondContact O-N 3.29Å; E488-R491 WeakPolarHBondContact O-CB 3.47Å; E488-R491 PolarHBondContact O-N 3.44Å; E488-R491 IonicContact OE1-CZ 3.84Å; E488-R491 IonicContact OE1-NE 3.95Å; E488-R491 PolarHBondContact OE1-NE 3.48Å; E488-R491 IonicContact OE1-NH2 2.9Å; E488-R491 PolarHBondContact OE1-NH2 3.32Å; E488-R491 IonicContact OE2-CZ 3.52Å; E488-R491 IonicContact OE2-NE 3.24Å; E488-R491 PolarHBondContact OE2-NE 2.95Å; E488-R491 IonicContact OE2-NH2 3.83Å; A489-R491 VanDerWaalsContact C-N 3.25Å; A489-R491 PolarHBondContact O-N 2.73Å; R491-H495 WeakPolarHBondContact O-CB 3.34Å; R491-H495 PolarHBondContact O-N 2.83Å
492L94.1Very high83.8Confident0 Ų055.1 Ų55.10%031%0.309CS..Hα-helixtrans-70.4-41.3177.2-67.5-177.5000112.2I17 L33 H277 I279 L461 L464 E488 A489 A494 H495 Y496I17-L492 HydrophobicContact CD1-CD1 3.89Å; I17-L492 HydrophobicContact CG1-CD1 4.32Å; I17-L492 HydrophobicContact CG2-CD1 4.11Å; L33-L492 HydrophobicContact CD2-CB 4.16Å; L33-L492 HydrophobicContact CD2-CD1 4.45Å; H277-L492 HydrophobicContact CB-CD1 3.93Å; H277-L492 HydrophobicContact CB-CD2 4.05Å; H277-L492 WeakPolarHBondContact ND1-CD2 3.43Å; I279-L492 HydrophobicContact CD1-CD1 4.06Å; I279-L492 HydrophobicContact CG1-CD1 4.28Å; L461-L492 HydrophobicContact CD1-CD2 4.41Å; L464-L492 HydrophobicContact CD1-CD1 4.49Å; L464-L492 HydrophobicContact CD1-CD2 3.9Å; L464-L492 HydrophobicContact CD1-CG 4.41Å; L464-L492 HydrophobicContact CD2-CD1 4.31Å; L464-L492 HydrophobicContact CD2-CD2 3.77Å; L464-L492 HydrophobicContact CD2-CG 3.72Å; E488-L492 PolarHBondContact O-N 2.83Å; A489-L492 PolarHBondContact O-N 3.37Å; A489-L492 VanDerWaalsContact O-N 3.08Å; L492-A494 VanDerWaalsContact C-N 3.29Å; L492-A494 PolarHBondContact O-N 3.06Å; L492-H495 VanDerWaalsContact O-CB 3.31Å; L492-H495 WeakPolarHBondContact O-CB 3.29Å; L492-H495 PolarHBondContact O-N 3.29Å; L492-H495 VanDerWaalsContact O-N 3.09Å; L492-Y496 WeakPolarHBondContact O-CD2 3.31Å; L492-Y496 PolarHBondContact O-N 3.48Å; L492-Y496 VanDerWaalsContact O-N 3.16Å
493I94.3Very high80.8Confident29 Ų2963.3 Ų63.315%0.14935%0.345CS..Hα-helixtrans-57.7-46.1175.2-66.9157.4000110.1R32 L33 S36 F38 A489 D490 H495 Y496 T497R32-I493 HydrophobicContact CG-CD1 4.05Å; L33-I493 HydrophobicContact CD2-CG1 4.2Å; S36-I493 WeakPolarHBondContact OG-CD1 3.48Å; F38-I493 HydrophobicContact CD2-CG1 4.34Å; F38-I493 HydrophobicContact CE2-CB 4.36Å; F38-I493 HydrophobicContact CE2-CG1 3.67Å; F38-I493 HydrophobicContact CZ-CG1 4.36Å; A489-I493 WeakPolarHBondContact O-CD1 3.34Å; A489-I493 VanDerWaalsContact O-CG1 3.29Å; A489-I493 WeakPolarHBondContact O-CG1 3.35Å; A489-I493 PolarHBondContact O-N 3.17Å; D490-I493 PolarHBondContact O-N 2.83Å; I493-H495 VanDerWaalsContact C-N 3.33Å; I493-H495 PolarHBondContact O-N 2.71Å; I493-Y496 PolarHBondContact O-N 3.11Å; I493-T497 WeakPolarHBondContact O-CB 3.46Å; I493-T497 PolarHBondContact O-N 2.72Å; I493-T497 PolarHBondContact O-OG1 3.41Å
494A91.9Very high77.9Confident64 Ų6473 Ų7353%0.52938%0.378SS..Hα-helixtrans-65.2-34.8176.200000112.6D490 L492 Y496 T497D490-A494 VanDerWaalsContact O-CB 3.25Å; D490-A494 WeakPolarHBondContact O-CB 3.15Å; D490-A494 PolarHBondContact O-N 2.76Å; L492-A494 VanDerWaalsContact C-N 3.29Å; L492-A494 PolarHBondContact O-N 3.06Å; A494-Y496 VanDerWaalsContact C-N 3.27Å; A494-Y496 PolarHBondContact O-N 3.24Å; A494-T497 PolarHBondContact O-N 3.27Å
495H88.4Confident74.9Confident86 Ų8683.8 Ų83.840%0.39842%0.419SS..Hα-helixtrans-60.5-36.4176.1-171.775.8000112.4L461 R491 L492 I493L461-H495 HydrophobicContact CD1-CB 4.24Å; R491-H495 WeakPolarHBondContact O-CB 3.34Å; R491-H495 PolarHBondContact O-N 2.83Å; L492-H495 VanDerWaalsContact O-CB 3.31Å; L492-H495 WeakPolarHBondContact O-CB 3.29Å; L492-H495 PolarHBondContact O-N 3.29Å; L492-H495 VanDerWaalsContact O-N 3.09Å; I493-H495 VanDerWaalsContact C-N 3.33Å; I493-H495 PolarHBondContact O-N 2.71Å
496Y87.6Confident72Confident41 Ų4192.6 Ų92.616%0.16146%0.463CS..Hα-helixtrans-99-6.3-178.1-72.9-73.4000114.9N12 V15 F38 H277 L492 I493 A494N12-Y496 HydrophobicContact CB-CD1 4.02Å; N12-Y496 PolarHBondContact ND2-O 3.25Å; N12-Y496 WeakPolarHBondContact O-CD1 3.36Å; V15-Y496 HydrophobicContact CB-CE2 4.47Å; V15-Y496 HydrophobicContact CG1-CD1 4.44Å; V15-Y496 HydrophobicContact CG1-CE1 3.71Å; V15-Y496 HydrophobicContact CG1-CE2 4.21Å; V15-Y496 WeakPolarHBondContact CG1-OH 3.38Å; V15-Y496 HydrophobicContact CG2-CD2 4.47Å; V15-Y496 HydrophobicContact CG2-CE2 4.02Å; F38-Y496 AromaticContact CE1-CD2 3.81Å; F38-Y496 HydrophobicContact CE1-CD2 3.81Å; F38-Y496 HydrophobicContact CE1-CE2 4.43Å; F38-Y496 HydrophobicContact CE1-CG 4.37Å; F38-Y496 HydrophobicContact CZ-CD2 4.05Å; F38-Y496 HydrophobicContact CZ-CG 4.42Å; H277-Y496 AromaticContact CD2-CE2 3.95Å; H277-Y496 AromaticContact NE2-CE2 3.38Å; H277-Y496 WeakPolarHBondContact NE2-CE2 3.48Å; H277-Y496 AromaticContact NE2-CZ 3.49Å; H277-Y496 PolarHBondContact NE2-OH 3.08Å; L492-Y496 WeakPolarHBondContact O-CD2 3.31Å; L492-Y496 PolarHBondContact O-N 3.48Å; L492-Y496 VanDerWaalsContact O-N 3.16Å; I493-Y496 PolarHBondContact O-N 3.11Å; A494-Y496 VanDerWaalsContact C-N 3.27Å; A494-Y496 PolarHBondContact O-N 3.24Å
497T82.3Confident68.7Low78 Ų7895.5 Ų95.548%0.47949%0.492SS..SBendtrans-90.5122.7176.9-58.20000110.1I493 A494 T499I493-T497 WeakPolarHBondContact O-CB 3.46Å; I493-T497 PolarHBondContact O-N 2.72Å; I493-T497 PolarHBondContact O-OG1 3.41Å; A494-T497 PolarHBondContact O-N 3.27Å; T497-T499 PolarHBondContact O-N 2.92Å; T497-T499 VanDerWaalsContact O-N 3.16Å
498P63.1Low65.5Low87 Ų87102.5 Ų102.557%0.56552%0.524SS*.  trans-60.3121.1177.1-1929.4000110.7N500P498-N500 PolarHBondContact O-N 3.38Å
499T53Low62.1Low135 Ų135114.2 Ų114.283%0.82859%0.586SS**  trans-66103.2171.749.90000109.1T497 P501T497-T499 PolarHBondContact O-N 2.92Å; T497-T499 VanDerWaalsContact O-N 3.16Å; T499-P501 VanDerWaalsContact O-CD 3.28Å; T499-P501 WeakPolarHBondContact O-CD 3.34Å
500N41.6Very low60.3Low116 Ų116120 Ų12062%0.6262%0.615SS**  trans-75.2114.2169.7-130.1-10.7000107.5P498 S502 K503P498-N500 PolarHBondContact O-N 3.38Å; N500-S502 PolarHBondContact O-N 3.3Å; N500-K503 PolarHBondContact O-N 3.21Å
501P41.6Very low58.3Low120 Ų120123.2 Ų123.278%0.77963%0.631SS**G310 helixtrans-62-13-172.2-21.432.3000114.4T499T499-P501 VanDerWaalsContact O-CD 3.28Å; T499-P501 WeakPolarHBondContact O-CD 3.34Å
502S38.5Very low56.2Low99 Ų99125.7 Ų125.769%0.69265%0.65SS**G310 helixtrans-87.6-9.1-173.8570000115.8N500N500-S502 PolarHBondContact O-N 3.3Å
503K37.2Very low54Low173 Ų173133.1 Ų133.175%0.75269%0.688SS**G310 helixtrans-105.710.6-177.1-77.9-167.6176.9-173.70115.4N500 R505N500-K503 PolarHBondContact O-N 3.21Å; K503-R505 PolarHBondContact O-N 2.7Å
504R37.5Very low51.5Low247 Ų247139.6 Ų139.693%0.93272%0.722SS**  trans-73.86.5178.8-143.2178.4172.6-164.7-4.2114.4
505R34.7Very low48.8Very low227 Ų227144.7 Ų144.786%0.85773%0.734SS**SBendtrans-109.4119166-94.5-179.6166.2179.9-4.5108.2K503K503-R505 PolarHBondContact O-N 2.7Å
506M38.9Very low46Very low185 Ų185148.9 Ų148.991%0.91176%0.758SS**  trans91.384.4174.4-52.3-162.9-75.100116.1
507S28.3Very low42.8Very low120 Ų120157.2 Ų157.284%0.83980%0.804SS**  -163.688.9129.462.40000108.9
508K31.5Very low39.5Very low209 Ų209163.8 Ų163.891%0.90983%0.832SS**  trans-95.4109.7147.5-83.2-173175.4-1730104.6
509L28Very low37.3Very low247 Ų247170.7 Ų170.7100%1.29386%0.856SS**  trans-158.60156.2-102.1156000104.8

Retrieved 509 of 509 residues in 220.4 ms (Link to these results)

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