A0A3Q0KS00_SCHMA Loading...

Retinaldehyde binding protein-related

AlphaFold DB , UniProt , Accession A0A3Q0KS00, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 325 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
1M30.3Very low57.2Low239 Ų239107.5 Ų107.5100%1.17763%0.625SS**  0117.80-84.5173.9163.700107.8V3M1-V3 PolarHBondContact O-N 3.07Å
2A32.5Very low60.4Low96 Ų96106.3 Ų106.379%0.79361%0.607SS**  trans-70115.5167.300000106.9K4A2-K4 PolarHBondContact O-N 2.8Å
3V33.7Very low63.2Low119 Ų11999.2 Ų99.272%0.72156%0.564SS**  trans-61.7111169.2176.80000105.2M1 V5M1-V3 PolarHBondContact O-N 3.07Å; V3-V5 PolarHBondContact O-N 3.35Å
4K31.6Very low65.6Low188 Ų18895.6 Ų95.682%0.81755%0.545SS*.  trans-52.4120.3168.3-87-178.7174179.10106.1A2 S6A2-K4 PolarHBondContact O-N 2.8Å; K4-S6 PolarHBondContact O-N 3.44Å
5V42.4Very low67.6Low55 Ų5596.3 Ų96.333%0.33354%0.542SS..  trans-6872.4163.4-174.90000106.6V3 S7 D51 L55V3-V5 PolarHBondContact O-N 3.35Å; V5-S7 PolarHBondContact O-N 2.94Å; V5-S7 VanDerWaalsContact O-N 3.12Å; V5-D51 HydrophobicContact CG2-CB 3.59Å; V5-L55 HydrophobicContact CG1-CD1 4.27Å
6S45.4Very low69.5Low94 Ų9491.8 Ų91.866%0.65752%0.516SS*.  trans-78.481.8157.570.10000105.1K4 N8K4-S6 PolarHBondContact O-N 3.44Å; S6-N8 PolarHBondContact O-N 3.13Å; S6-N8 VanDerWaalsContact O-N 3.1Å
7S59Low71.1Confident46 Ų4686.4 Ų86.432%0.32249%0.486SS..  trans-64.3112.4175.7560000107.6V5 L9 E154V5-S7 PolarHBondContact O-N 2.94Å; V5-S7 VanDerWaalsContact O-N 3.12Å; S7-L9 PolarHBondContact O-N 3.31Å; S7-E154 VanDerWaalsContact CB-OE2 3.23Å; S7-E154 WeakPolarHBondContact CB-OE2 3.5Å
8N75.9Confident72.5Confident163 Ų16388.4 Ų88.487%0.87249%0.488SS*.  trans-7338.4168.6-75.9-21.8000110.3S6 S10S6-N8 PolarHBondContact O-N 3.13Å; S6-N8 VanDerWaalsContact O-N 3.1Å; N8-S10 PolarHBondContact O-N 3.27Å
9L88.8Confident73.8Confident25 Ų2592.9 Ų92.913%0.13150%0.502CS..  trans-68.3131.3176.9-77.8174.4000108.6S7 Y13 V14 E154 R155 I158S7-L9 PolarHBondContact O-N 3.31Å; L9-Y13 HydrophobicContact CD2-CG 4.35Å; L9-V14 HydrophobicContact CB-CG2 3.99Å; L9-E154 HydrophobicContact CD1-CB 4.45Å; L9-E154 HydrophobicContact CD2-CB 3.75Å; L9-E154 HydrophobicContact CG-CB 4.37Å; L9-R155 HydrophobicContact CD2-CG 4.48Å; L9-I158 HydrophobicContact CD1-CD1 3.55Å; L9-I158 HydrophobicContact CD2-CD1 3.96Å; L9-I158 HydrophobicContact CG-CD1 4.42Å
10S94.1Very high74.8Confident51 Ų5191.5 Ų91.536%0.35750%0.495SS..  trans-62.7154.6173.668.80000110.3N8 F12 Y13 V14N8-S10 PolarHBondContact O-N 3.27Å; S10-F12 PolarHBondContact O-N 3.37Å; S10-Y13 PolarHBondContact O-N 3.21Å; S10-Y13 WeakPolarHBondContact OG-CD2 3.28Å; S10-V14 PolarHBondContact O-N 3.28Å; S10-V14 VanDerWaalsContact O-N 3.13Å
11P95.2Very high75.8Confident107 Ų10787.2 Ų87.270%0.69547%0.472SS*.Hα-helixtrans-51.5-34.8176.4-28.935.6000113.2Y13 V14 E15P11-Y13 PolarHBondContact O-N 3.19Å; P11-V14 PolarHBondContact O-N 3.12Å; P11-E15 PolarHBondContact O-N 2.97Å
12F96.4Very high78.9Confident93 Ų9380 Ų8041%0.40844%0.444SS..Hα-helixtrans-56.2-49.4173.8170.9-96000112.6S10 E15 L16 D116S10-F12 PolarHBondContact O-N 3.37Å; F12-E15 PolarHBondContact O-N 3.44Å; F12-L16 HydrophobicContact CE1-CD2 4Å; F12-L16 HydrophobicContact CZ-CD2 4.16Å; F12-L16 VanDerWaalsContact O-CB 3.3Å; F12-L16 WeakPolarHBondContact O-CB 3.5Å; F12-L16 PolarHBondContact O-N 2.97Å; F12-D116 WeakPolarHBondContact CZ-O 3.42Å
13Y96.9Very high82Confident13 Ų1375.9 Ų75.95%0.05141%0.409CS..Hα-helixtrans-72.9-32-179-82.3-71000112.9L9 S10 P11 L16 A17 I114 G118 R155 I158L9-Y13 HydrophobicContact CD2-CG 4.35Å; S10-Y13 PolarHBondContact O-N 3.21Å; S10-Y13 WeakPolarHBondContact OG-CD2 3.28Å; P11-Y13 PolarHBondContact O-N 3.19Å; Y13-L16 HydrophobicContact CD1-CD2 4.19Å; Y13-L16 HydrophobicContact CE1-CD2 4.28Å; Y13-L16 PolarHBondContact O-N 3.23Å; Y13-A17 VanDerWaalsContact O-CB 3.3Å; Y13-A17 WeakPolarHBondContact O-CB 3.34Å; Y13-A17 PolarHBondContact O-N 3.08Å; Y13-I114 WeakPolarHBondContact OH-CG2 3.49Å; Y13-G118 PolarHBondContact OH-O 3.31Å; Y13-R155 HydrophobicContact CD1-CB 4.49Å; Y13-R155 HydrophobicContact CD2-CG 3.98Å; Y13-R155 HydrophobicContact CE1-CB 3.89Å; Y13-R155 HydrophobicContact CE1-CG 4.37Å; Y13-R155 WeakPolarHBondContact CE1-O 3.48Å; Y13-R155 HydrophobicContact CE2-CB 3.95Å; Y13-R155 HydrophobicContact CE2-CG 3.65Å; Y13-R155 HydrophobicContact CG-CG 4.48Å; Y13-I158 HydrophobicContact CD1-CB 4.07Å; Y13-I158 HydrophobicContact CD1-CG2 3.93Å
14V95.6Very high84.9Confident49 Ų4973.5 Ų73.530%0.29739%0.392SS..Hα-helixtrans-60.8-49173.2175.70000110.3L9 S10 P11 A17 K18 P25L9-V14 HydrophobicContact CB-CG2 3.99Å; S10-V14 PolarHBondContact O-N 3.28Å; S10-V14 VanDerWaalsContact O-N 3.13Å; P11-V14 PolarHBondContact O-N 3.12Å; V14-A17 PolarHBondContact O-N 2.92Å; V14-K18 WeakPolarHBondContact O-CB 3.18Å; V14-K18 PolarHBondContact O-N 3.01Å; V14-P25 HydrophobicContact CG1-CG 4.5Å
15E96.9Very high87.8Confident106 Ų10668.2 Ų68.250%0.49538%0.377SS..Hα-helixtrans-66.9-37.9177.3-71.1-55.3124.300112.2P11 F12 A17 K18 K19P11-E15 PolarHBondContact O-N 2.97Å; F12-E15 PolarHBondContact O-N 3.44Å; E15-A17 VanDerWaalsContact C-N 3.35Å; E15-A17 PolarHBondContact O-N 3.42Å; E15-K18 PolarHBondContact O-N 3.06Å; E15-K19 VanDerWaalsContact O-CB 3.25Å; E15-K19 WeakPolarHBondContact O-CB 3.43Å; E15-K19 PolarHBondContact O-N 2.74Å
16L96.8Very high90.3Very high25 Ų2569.4 Ų69.413%0.13139%0.393CS..Hα-helixtrans-62.9-41.8176.3-16766.5000111.7F12 Y13 N20 I158F12-L16 HydrophobicContact CE1-CD2 4Å; F12-L16 HydrophobicContact CZ-CD2 4.16Å; F12-L16 VanDerWaalsContact O-CB 3.3Å; F12-L16 WeakPolarHBondContact O-CB 3.5Å; F12-L16 PolarHBondContact O-N 2.97Å; Y13-L16 HydrophobicContact CD1-CD2 4.19Å; Y13-L16 HydrophobicContact CE1-CD2 4.28Å; Y13-L16 PolarHBondContact O-N 3.23Å; L16-N20 WeakPolarHBondContact CD1-ND2 3.38Å; L16-N20 VanDerWaalsContact O-CB 3.31Å; L16-N20 WeakPolarHBondContact O-CB 3.42Å; L16-N20 PolarHBondContact O-N 2.99Å; L16-I158 HydrophobicContact CB-CG2 4.03Å; L16-I158 HydrophobicContact CD2-CG2 4.03Å; L16-I158 HydrophobicContact CG-CG2 4.05Å
17A97Very high92.7Very high0 Ų069.7 Ų69.70%038%0.383CS..Hα-helixtrans-65.4-46.1177.100000111.5Y13 V14 E15 L21 S22 E23 I158Y13-A17 VanDerWaalsContact O-CB 3.3Å; Y13-A17 WeakPolarHBondContact O-CB 3.34Å; Y13-A17 PolarHBondContact O-N 3.08Å; V14-A17 PolarHBondContact O-N 2.92Å; E15-A17 VanDerWaalsContact C-N 3.35Å; E15-A17 PolarHBondContact O-N 3.42Å; A17-L21 HydrophobicContact CB-CD1 4.06Å; A17-L21 WeakPolarHBondContact O-CA 3.39Å; A17-L21 WeakPolarHBondContact O-CB 3.46Å; A17-L21 PolarHBondContact O-N 2.95Å; A17-S22 PolarHBondContact O-N 2.9Å; A17-E23 HydrophobicContact CB-CB 3.78Å; A17-E23 HydrophobicContact CB-CG 4.2Å; A17-E23 PolarHBondContact O-N 3.12Å; A17-I158 HydrophobicContact CB-CD1 4.01Å; A17-I158 HydrophobicContact CB-CG1 4.03Å; A17-I158 HydrophobicContact CB-CG2 3.85Å
18K96.7Very high94.4Very high123 Ų12368.5 Ų68.554%0.53537%0.373SS..Hα-helixtrans-58.8-49.7175.9-177.2-179176.9-174.10111.8V14 E15 S22 E23V14-K18 WeakPolarHBondContact O-CB 3.18Å; V14-K18 PolarHBondContact O-N 3.01Å; E15-K18 PolarHBondContact O-N 3.06Å; K18-S22 PolarHBondContact O-N 3.44Å; K18-E23 WeakPolarHBondContact CA-O 3.18Å
19K96.2Very high95.4Very high173 Ų17365.9 Ų65.975%0.75236%0.356SS*.Hα-helixtrans-68.1-44.7-176.3-176.6179.5177.4176.60113.1E15E15-K19 VanDerWaalsContact O-CB 3.25Å; E15-K19 WeakPolarHBondContact O-CB 3.43Å; E15-K19 PolarHBondContact O-N 2.74Å
20N95.4Very high95.8Very high65 Ų6567.7 Ų67.735%0.34838%0.375SS..Hα-helixtrans-101.1-20-168.1-67.2-19.2000114.1L16 H62L16-N20 WeakPolarHBondContact CD1-ND2 3.38Å; L16-N20 VanDerWaalsContact O-CB 3.31Å; L16-N20 WeakPolarHBondContact O-CB 3.42Å; L16-N20 PolarHBondContact O-N 2.99Å; N20-H62 PolarHBondContact O-CE1 3.22Å; N20-H62 PolarHBondContact O-ND1 2.83Å
21L96.1Very high96Very high2 Ų267.4 Ų67.41%0.0137%0.368CS..Hα-helixtrans-120.4-2.6-171.4-42.2178.7000113A17 E23 R59 H62 Y63 I158 R198A17-L21 HydrophobicContact CB-CD1 4.06Å; A17-L21 WeakPolarHBondContact O-CA 3.39Å; A17-L21 WeakPolarHBondContact O-CB 3.46Å; A17-L21 PolarHBondContact O-N 2.95Å; L21-E23 HydrophobicContact CB-CB 4.48Å; L21-E23 PolarHBondContact O-N 3.04Å; L21-R59 HydrophobicContact CD1-CB 4.06Å; L21-R59 HydrophobicContact CD1-CG 4.03Å; L21-H62 CarbonylContact O-C 3.6Å; L21-H62 WeakPolarHBondContact O-CA 3.38Å; L21-Y63 WeakPolarHBondContact O-CD2 3.47Å; L21-I158 HydrophobicContact CD1-CB 4.2Å; L21-I158 HydrophobicContact CD1-CG1 4.04Å; L21-I158 HydrophobicContact CD1-CG2 4.07Å; L21-R198 VanDerWaalsContact CD2-NH2 3.35Å
22S95.1Very high96.2Very high87 Ų8762.3 Ų62.361%0.60833%0.334SS*.  trans58.527.7-171-48.20000112.5A17 K18 N24A17-S22 PolarHBondContact O-N 2.9Å; K18-S22 PolarHBondContact O-N 3.44Å; S22-N24 PolarHBondContact O-N 2.76Å
23E96.8Very high96.2Very high9 Ų961.8 Ų61.84%0.04234%0.339CS..  trans-71.6118.5178.2-174.8156.8117.300109.9A17 K18 L21 I28 R59 Y63A17-E23 HydrophobicContact CB-CB 3.78Å; A17-E23 HydrophobicContact CB-CG 4.2Å; A17-E23 PolarHBondContact O-N 3.12Å; K18-E23 WeakPolarHBondContact CA-O 3.18Å; L21-E23 HydrophobicContact CB-CB 4.48Å; L21-E23 PolarHBondContact O-N 3.04Å; E23-I28 HydrophobicContact CG-CD1 4.02Å; E23-I28 HydrophobicContact CG-CG1 4.23Å; E23-R59 IonicContact OE1-CZ 2.82Å; E23-R59 IonicContact OE1-NE 3.6Å; E23-R59 IonicContact OE1-NH2 2.65Å; E23-R59 PolarHBondContact OE1-NH2 3.09Å; E23-R59 VanDerWaalsContact OE1-NH2 3.07Å; E23-R59 VanDerWaalsContact OE2-CG 3.25Å; E23-R59 WeakPolarHBondContact OE2-CG 3.32Å; E23-R59 IonicContact OE2-CZ 3.07Å; E23-R59 IonicContact OE2-NE 3.59Å; E23-R59 PolarHBondContact OE2-NE 2.83Å; E23-R59 IonicContact OE2-NH2 2.69Å; E23-Y63 HydrophobicContact CB-CD2 4.41Å; E23-Y63 HydrophobicContact CB-CE2 3.59Å; E23-Y63 HydrophobicContact CG-CE2 3.75Å; E23-Y63 WeakPolarHBondContact CG-OH 3.18Å; E23-Y63 WeakPolarHBondContact OE2-CE2 3.44Å; E23-Y63 PolarHBondContact OE2-OH 3.3Å
24N95.1Very high96.3Very high70 Ų7062.5 Ų62.537%0.37435%0.348SS..  trans-106.9112.6169.2-177.8-10.8000109S22 A26 H27 I28S22-N24 PolarHBondContact O-N 2.76Å; N24-A26 PolarHBondContact O-N 3.21Å; N24-A26 VanDerWaalsContact O-N 3.09Å; N24-A26 WeakPolarHBondContact OD1-CB 3.07Å; N24-A26 PolarHBondContact OD1-N 3.23Å; N24-H27 HydrophobicContact CB-CB 4.31Å; N24-H27 PolarHBondContact ND2-CE1 2.66Å; N24-H27 PolarHBondContact O-N 3.34Å; N24-I28 PolarHBondContact O-N 2.69Å
25P92.1Very high96.4Very high76 Ų7660.2 Ų60.249%0.49433%0.334SS..G310 helixtrans-51.3-35.1179.6-29.636.2000114.2V14 H27V14-P25 HydrophobicContact CG1-CG 4.5Å; P25-H27 PolarHBondContact O-N 2.94Å
26A94Very high96.4Very high81 Ų8157.5 Ų57.567%0.66932%0.32SS*.G310 helixtrans-68.1-22.3179.300000113.5N24N24-A26 PolarHBondContact O-N 3.21Å; N24-A26 VanDerWaalsContact O-N 3.09Å; N24-A26 WeakPolarHBondContact OD1-CB 3.07Å; N24-A26 PolarHBondContact OD1-N 3.23Å
27H96Very high96.4Very high99 Ų9965.3 Ų65.346%0.45835%0.348SS..G310 helixtrans-105-7.7-175.4-61.1173.4000113.5N24 P25 Q29 A30 H31N24-H27 HydrophobicContact CB-CB 4.31Å; N24-H27 PolarHBondContact ND2-CE1 2.66Å; N24-H27 PolarHBondContact O-N 3.34Å; P25-H27 PolarHBondContact O-N 2.94Å; H27-Q29 VanDerWaalsContact C-N 3.29Å; H27-Q29 PolarHBondContact O-N 2.95Å; H27-A30 WeakPolarHBondContact O-CB 3.19Å; H27-A30 PolarHBondContact O-N 3.34Å; H27-H31 PolarHBondContact O-CD2 3.24Å; H27-H31 VanDerWaalsContact O-CD2 3.24Å; H27-H31 PolarHBondContact O-N 3.37Å
28I95.9Very high96.4Very high21 Ų2167.4 Ų67.411%0.10836%0.356CS..Hα-helixtrans-50.4-49.2-177.5-74.2176000111.5E23 N24 A30 H31 L32 L55E23-I28 HydrophobicContact CG-CD1 4.02Å; E23-I28 HydrophobicContact CG-CG1 4.23Å; N24-I28 PolarHBondContact O-N 2.69Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.32Å; I28-H31 PolarHBondContact O-N 3.48Å; I28-L32 HydrophobicContact CG2-CD1 3.85Å; I28-L32 PolarHBondContact O-N 2.8Å; I28-L55 HydrophobicContact CG2-CD2 3.91Å
29Q96.5Very high96.4Very high108 Ų10862 Ų6251%0.50533%0.333SS..Hα-helixtrans-65.4-33.9-178-168.658.44800112.7H27 T33H27-Q29 VanDerWaalsContact C-N 3.29Å; H27-Q29 PolarHBondContact O-N 2.95Å; Q29-T33 WeakPolarHBondContact O-CB 3.47Å; Q29-T33 PolarHBondContact O-N 3.23Å; Q29-T33 PolarHBondContact O-OG1 3.28Å
30A97.9Very high96.3Very high64 Ų6458.6 Ų58.653%0.52933%0.331SS..Hα-helixtrans-68.5-43.8176.300000110.9H27 I28 T33 A34H27-A30 WeakPolarHBondContact O-CB 3.19Å; H27-A30 PolarHBondContact O-N 3.34Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.32Å; A30-T33 PolarHBondContact O-N 3.26Å; A30-A34 WeakPolarHBondContact O-CB 3.27Å; A30-A34 PolarHBondContact O-N 2.93Å
31H98Very high96.3Very high45 Ų4559.2 Ų59.221%0.20834%0.34CS..Hα-helixtrans-61.3-46.1174.6-77-82.8000112H27 I28 T33 A34 F35 L58 Y63 H65H27-H31 PolarHBondContact O-CD2 3.24Å; H27-H31 VanDerWaalsContact O-CD2 3.24Å; H27-H31 PolarHBondContact O-N 3.37Å; I28-H31 PolarHBondContact O-N 3.48Å; H31-T33 PolarHBondContact O-N 3.1Å; H31-A34 PolarHBondContact O-N 3.08Å; H31-F35 VanDerWaalsContact O-CB 3.27Å; H31-F35 WeakPolarHBondContact O-CB 3.29Å; H31-F35 PolarHBondContact O-N 2.97Å; H31-L58 HydrophobicContact CB-CD1 3.98Å; H31-Y63 HydrophobicContact CB-CD1 3.88Å; H31-Y63 HydrophobicContact CB-CE1 4.01Å; H31-Y63 AromaticContact CD2-CD1 3.55Å; H31-Y63 AromaticContact CD2-CE1 4Å; H31-Y63 AromaticContact CE1-CD1 3.85Å; H31-Y63 AromaticContact CG-CD1 3.45Å; H31-Y63 VanDerWaalsContact CG-CD1 3.45Å; H31-Y63 AromaticContact CG-CE1 3.98Å; H31-Y63 AromaticContact ND1-CD1 3.62Å; H31-Y63 AromaticContact NE2-CD1 3.83Å; H31-H65 AromaticContact CE1-NE2 3.79Å; H31-H65 AromaticContact CG-NE2 3.93Å; H31-H65 AromaticContact ND1-CD2 3.69Å; H31-H65 AromaticContact ND1-CE1 3.98Å; H31-H65 AromaticContact ND1-NE2 2.95Å; H31-H65 PolarHBondContact ND1-NE2 3.46Å
32L98.1Very high96.2Very high0 Ų059.5 Ų59.50%034%0.342CS..Hα-helixtrans-60.2-45.4176.5-78.2168.3000112I28 A34 F35 K36 D51 L54 L55 L58I28-L32 HydrophobicContact CG2-CD1 3.85Å; I28-L32 PolarHBondContact O-N 2.8Å; L32-A34 PolarHBondContact O-N 3.42Å; L32-F35 PolarHBondContact O-N 3.47Å; L32-K36 WeakPolarHBondContact O-CB 3.31Å; L32-K36 VanDerWaalsContact O-CG 3.29Å; L32-K36 WeakPolarHBondContact O-CG 3.37Å; L32-K36 PolarHBondContact O-N 3.45Å; L32-D51 HydrophobicContact CD1-CB 4.02Å; L32-D51 HydrophobicContact CD2-CB 4.47Å; L32-L54 HydrophobicContact CD2-CB 3.82Å; L32-L55 HydrophobicContact CD1-CD2 4.27Å; L32-L55 HydrophobicContact CD1-CG 4.23Å; L32-L55 HydrophobicContact CD2-CD2 4.33Å; L32-L55 HydrophobicContact CD2-CG 4.15Å; L32-L55 HydrophobicContact CG-CD2 4.28Å; L32-L55 HydrophobicContact CG-CG 4.46Å; L32-L58 HydrophobicContact CD2-CD1 4.13Å; L32-L58 HydrophobicContact CG-CD1 4.37Å
33T98.1Very high96.3Very high81 Ų8159.1 Ų59.150%0.49734%0.337SS..Hα-helixtrans-59.7-48177.9-57.70000111.5Q29 A30 H31 F35 R37Q29-T33 WeakPolarHBondContact O-CB 3.47Å; Q29-T33 PolarHBondContact O-N 3.23Å; Q29-T33 PolarHBondContact O-OG1 3.28Å; A30-T33 PolarHBondContact O-N 3.26Å; H31-T33 PolarHBondContact O-N 3.1Å; T33-F35 PolarHBondContact O-N 3.42Å; T33-R37 WeakPolarHBondContact O-CB 3.46Å; T33-R37 PolarHBondContact O-N 3.02Å
34A98.1Very high96.3Very high29 Ų2958.7 Ų58.724%0.2434%0.336CS..Hα-helixtrans-64.6-39.7178.500000112.2A30 H31 L32 R37 W38A30-A34 WeakPolarHBondContact O-CB 3.27Å; A30-A34 PolarHBondContact O-N 2.93Å; H31-A34 PolarHBondContact O-N 3.08Å; L32-A34 PolarHBondContact O-N 3.42Å; A34-R37 PolarHBondContact O-N 2.95Å; A34-W38 PolarHBondContact O-N 3.12Å; A34-W38 VanDerWaalsContact O-N 3.09Å
35F97.6Very high96.4Very high0 Ų056.2 Ų56.20%032%0.322CS..Hα-helixtrans-68.7-42.9179.4-165.7-133.8000112H31 L32 T33 R37 W38 L39 L54 F57 L58 A68 Q69 I72H31-F35 VanDerWaalsContact O-CB 3.27Å; H31-F35 WeakPolarHBondContact O-CB 3.29Å; H31-F35 PolarHBondContact O-N 2.97Å; L32-F35 PolarHBondContact O-N 3.47Å; T33-F35 PolarHBondContact O-N 3.42Å; F35-R37 PolarHBondContact O-N 3.13Å; F35-W38 HydrophobicContact CD2-CE3 4.22Å; F35-W38 HydrophobicContact CE2-CE3 4.02Å; F35-W38 HydrophobicContact CE2-CZ3 4.09Å; F35-W38 PolarHBondContact O-N 3.31Å; F35-L39 HydrophobicContact CD1-CD1 4.32Å; F35-L39 HydrophobicContact CE1-CD1 4.4Å; F35-L39 WeakPolarHBondContact O-CG 3.43Å; F35-L39 PolarHBondContact O-N 3.41Å; F35-L54 HydrophobicContact CD1-CB 4.16Å; F35-L54 HydrophobicContact CD1-CD2 4.16Å; F35-L54 HydrophobicContact CE1-CB 4.35Å; F35-L54 HydrophobicContact CE1-CD2 3.95Å; F35-F57 HydrophobicContact CE1-CB 4.12Å; F35-F57 HydrophobicContact CZ-CB 4.12Å; F35-L58 HydrophobicContact CB-CD2 4.45Å; F35-L58 HydrophobicContact CD1-CD1 4.47Å; F35-L58 HydrophobicContact CD1-CD2 4.46Å; F35-L58 HydrophobicContact CD1-CG 4.26Å; F35-L58 HydrophobicContact CG-CD2 4.29Å; F35-A68 HydrophobicContact CE2-CB 3.91Å; F35-A68 HydrophobicContact CZ-CB 4.03Å; F35-Q69 HydrophobicContact CD2-CG 4.34Å; F35-Q69 HydrophobicContact CE2-CG 3.94Å; F35-I72 HydrophobicContact CE1-CD1 4.03Å; F35-I72 HydrophobicContact CE2-CG2 4.25Å; F35-I72 HydrophobicContact CZ-CB 4.16Å; F35-I72 HydrophobicContact CZ-CD1 4.08Å; F35-I72 HydrophobicContact CZ-CG2 3.7Å
36K97.7Very high96.6Very high49 Ų4956 Ų5621%0.21332%0.32CS..Hα-helixtrans-61-42.6172.9-71.7-177.2-173.4-1700112.1L32 W38 L39 S40 Q49 D51 L54L32-K36 WeakPolarHBondContact O-CB 3.31Å; L32-K36 VanDerWaalsContact O-CG 3.29Å; L32-K36 WeakPolarHBondContact O-CG 3.37Å; L32-K36 PolarHBondContact O-N 3.45Å; K36-W38 VanDerWaalsContact C-N 3.31Å; K36-W38 PolarHBondContact O-N 3.28Å; K36-L39 WeakPolarHBondContact O-CB 3.35Å; K36-L39 PolarHBondContact O-N 2.91Å; K36-L39 VanDerWaalsContact O-N 3.16Å; K36-S40 PolarHBondContact O-N 3.12Å; K36-S40 PolarHBondContact O-OG 2.81Å; K36-S40 VanDerWaalsContact O-OG 3.13Å; K36-Q49 WeakPolarHBondContact CE-O 3.13Å; K36-Q49 PolarHBondContact NZ-O 3.22Å; K36-D51 WeakPolarHBondContact CE-OD1 3.48Å; K36-D51 IonicContact NZ-OD1 2.86Å; K36-D51 PolarHBondContact NZ-OD1 3.28Å; K36-D51 IonicContact NZ-OD2 3.77Å; K36-L54 HydrophobicContact CD-CD1 4.21Å; K36-L54 HydrophobicContact CG-CD1 3.58Å
37R97.2Very high96.6Very high190 Ų19052.9 Ų52.972%0.71729%0.292SS*.Hα-helixtrans-58.6-43.2175.3-178.6178.864.6-178.5-0111.9T33 A34 F35 S40 S41T33-R37 WeakPolarHBondContact O-CB 3.46Å; T33-R37 PolarHBondContact O-N 3.02Å; A34-R37 PolarHBondContact O-N 2.95Å; F35-R37 PolarHBondContact O-N 3.13Å; R37-S40 PolarHBondContact O-N 3.16Å; R37-S41 PolarHBondContact O-N 2.57Å
38W95.8Very high96.5Very high44 Ų4448.6 Ų48.617%0.16727%0.272CS..Hα-helixtrans-64.6-43.7174.7172.182.5000111.7A34 F35 K36 S40 S41 C42 Q69 I72A34-W38 PolarHBondContact O-N 3.12Å; A34-W38 VanDerWaalsContact O-N 3.09Å; F35-W38 HydrophobicContact CD2-CE3 4.22Å; F35-W38 HydrophobicContact CE2-CE3 4.02Å; F35-W38 HydrophobicContact CE2-CZ3 4.09Å; F35-W38 PolarHBondContact O-N 3.31Å; K36-W38 VanDerWaalsContact C-N 3.31Å; K36-W38 PolarHBondContact O-N 3.28Å; W38-S40 VanDerWaalsContact C-N 3.27Å; W38-S40 PolarHBondContact O-N 2.81Å; W38-S41 WeakPolarHBondContact O-CA 3.48Å; W38-S41 WeakPolarHBondContact O-CB 3.14Å; W38-S41 PolarHBondContact O-N 2.93Å; W38-S41 PolarHBondContact O-OG 2.91Å; W38-C42 VanDerWaalsContact CE2-SG 3.54Å; W38-C42 WeakPolarHBondContact CZ2-SG 3.11Å; W38-C42 PolarHBondContact O-N 2.88Å; W38-Q69 HydrophobicContact CD2-CB 4.29Å; W38-Q69 HydrophobicContact CD2-CG 3.48Å; W38-Q69 VanDerWaalsContact CD2-CG 3.48Å; W38-Q69 VanDerWaalsContact CE2-CG 3.5Å; W38-Q69 HydrophobicContact CE3-CB 4.3Å; W38-Q69 HydrophobicContact CE3-CG 3.61Å; W38-Q69 HydrophobicContact CG-CG 4.09Å; W38-Q69 HydrophobicContact CH2-CB 3.56Å; W38-Q69 HydrophobicContact CH2-CG 3.82Å; W38-Q69 WeakPolarHBondContact CH2-O 3.34Å; W38-Q69 HydrophobicContact CZ2-CB 3.52Å; W38-Q69 HydrophobicContact CZ2-CG 3.69Å; W38-Q69 HydrophobicContact CZ3-CB 3.95Å; W38-Q69 HydrophobicContact CZ3-CG 3.77Å; W38-I72 HydrophobicContact CH2-CG2 4.08Å; W38-I72 HydrophobicContact CZ3-CG2 3.69Å
39L96.2Very high96.4Very high9 Ų951.9 Ų51.95%0.04729%0.287CS..Hα-helixtrans-58.1-38.9176.7-73.4167.3000112.3F35 K36 S41 C42 I47 L54 I72F35-L39 HydrophobicContact CD1-CD1 4.32Å; F35-L39 HydrophobicContact CE1-CD1 4.4Å; F35-L39 WeakPolarHBondContact O-CG 3.43Å; F35-L39 PolarHBondContact O-N 3.41Å; K36-L39 WeakPolarHBondContact O-CB 3.35Å; K36-L39 PolarHBondContact O-N 2.91Å; K36-L39 VanDerWaalsContact O-N 3.16Å; L39-S41 PolarHBondContact O-N 2.85Å; L39-C42 WeakPolarHBondContact O-CB 3.37Å; L39-C42 PolarHBondContact O-N 3.13Å; L39-I47 HydrophobicContact CD1-CG2 4.43Å; L39-I47 HydrophobicContact CD2-CD1 3.53Å; L39-I47 HydrophobicContact CD2-CG2 4.39Å; L39-L54 HydrophobicContact CD1-CD1 4.16Å; L39-L54 HydrophobicContact CD1-CD2 3.52Å; L39-I72 HydrophobicContact CD1-CD1 4.41Å; L39-I72 HydrophobicContact CD2-CD1 4.23Å; L39-I72 HydrophobicContact CD2-CG2 4.24Å
40S94.9Very high96.2Very high102 Ų10249.9 Ų49.971%0.71328%0.28SS*.Hα-helixtrans-63.8-19.9174.1-56.20000113.7K36 R37 W38K36-S40 PolarHBondContact O-N 3.12Å; K36-S40 PolarHBondContact O-OG 2.81Å; K36-S40 VanDerWaalsContact O-OG 3.13Å; R37-S40 PolarHBondContact O-N 3.16Å; W38-S40 VanDerWaalsContact C-N 3.27Å; W38-S40 PolarHBondContact O-N 2.81Å
41S94.3Very high96.1Very high77 Ų7747.8 Ų47.854%0.53826%0.26SS..THydrogen-bonded Turntrans-90.41.1174.675.80000114.1R37 W38 L39 P43R37-S41 PolarHBondContact O-N 2.57Å; W38-S41 WeakPolarHBondContact O-CA 3.48Å; W38-S41 WeakPolarHBondContact O-CB 3.14Å; W38-S41 PolarHBondContact O-N 2.93Å; W38-S41 PolarHBondContact O-OG 2.91Å; L39-S41 PolarHBondContact O-N 2.85Å; S41-P43 WeakPolarHBondContact O-CD 3.23Å
42C95.6Very high95.8Very high8 Ų847.2 Ų47.25%0.05426%0.263CS..  trans-101.586.4178.4-700000110.8W38 L39 H44 L45W38-C42 VanDerWaalsContact CE2-SG 3.54Å; W38-C42 WeakPolarHBondContact CZ2-SG 3.11Å; W38-C42 PolarHBondContact O-N 2.88Å; L39-C42 WeakPolarHBondContact O-CB 3.37Å; L39-C42 PolarHBondContact O-N 3.13Å; C42-H44 PolarHBondContact O-N 3.29Å; C42-H44 VanDerWaalsContact O-N 3.14Å; C42-L45 HydrophobicContact CB-CB 4.24Å; C42-L45 HydrophobicContact CB-CD1 3.94Å; C42-L45 HydrophobicContact CB-CG 4.15Å; C42-L45 PolarHBondContact O-N 3.12Å
43P95.8Very high95.7Very high79 Ų7947.2 Ų47.251%0.51326%0.263SS..THydrogen-bonded Turntrans-67.2-17.3-172.829.5-38.5000114S41 L45 K292S41-P43 WeakPolarHBondContact O-CD 3.23Å; P43-L45 VanDerWaalsContact C-N 3.33Å; P43-K292 HydrophobicContact CB-CB 4.21Å; P43-K292 HydrophobicContact CB-CD 4.43Å; P43-K292 HydrophobicContact CG-CB 4.31Å; P43-K292 WeakPolarHBondContact CG-O 3.41Å; P43-K292 WeakPolarHBondContact O-CD 3.23Å
44H96.8Very high95.6Very high1 Ų143.4 Ų43.41%0.00524%0.239CC..THydrogen-bonded Turntrans-80.7-10.517562.4-65.4000113.6C42 D73 V288 D289 K292 R293C42-H44 PolarHBondContact O-N 3.29Å; C42-H44 VanDerWaalsContact O-N 3.14Å; H44-D73 IonicContact CD2-OD2 2.73Å; H44-D73 IonicContact CE1-OD2 3.26Å; H44-D73 IonicContact NE2-OD2 2.75Å; H44-D73 PolarHBondContact NE2-OD2 3.47Å; H44-V288 CarbonylContact O-C 3.5Å; H44-V288 WeakPolarHBondContact O-CA 3.21Å; H44-D289 WeakPolarHBondContact CA-O 3.34Å; H44-D289 WeakPolarHBondContact CB-O 3.42Å; H44-D289 PolarHBondContact O-N 3Å; H44-K292 HydrophobicContact CB-CB 4.18Å; H44-R293 HydrophobicContact CB-CB 3.97Å; H44-R293 PolarHBondContact CD2-NH1 2.86Å; H44-R293 PolarHBondContact CD2-NH2 2.92Å; H44-R293 PolarHBondContact NE2-NH1 2.75Å
45L97Very high95.5Very high17 Ų1742 Ų429%0.08923%0.228CC..EExtended strand (participates in β ladder)trans-114.1128-174.1-58.2178.3000111.3C42 P43 I47 D73 C76 V288C42-L45 HydrophobicContact CB-CB 4.24Å; C42-L45 HydrophobicContact CB-CD1 3.94Å; C42-L45 HydrophobicContact CB-CG 4.15Å; C42-L45 PolarHBondContact O-N 3.12Å; P43-L45 VanDerWaalsContact C-N 3.33Å; L45-I47 HydrophobicContact CB-CD1 3.6Å; L45-I47 HydrophobicContact CB-CG1 3.92Å; L45-I47 HydrophobicContact CD1-CD1 3.64Å; L45-I47 HydrophobicContact CG-CD1 4.09Å; L45-D73 HydrophobicContact CD1-CB 4.3Å; L45-C76 HydrophobicContact CD2-CB 3.95Å; L45-V288 HydrophobicContact CD2-CG1 4.37Å; L45-V288 HydrophobicContact CD2-CG2 3.84Å
46T97.4Very high95.5Very high73 Ų7342 Ų4245%0.44823%0.228SC..EExtended strand (participates in β ladder)trans-105.6117.3160.5-54.80000107.5V285 I286 K287T46-V285 WeakPolarHBondContact CG2-O 3.29Å; T46-I286 VanDerWaalsContact O-CA 3.28Å; T46-I286 WeakPolarHBondContact O-CA 3.46Å; T46-K287 PolarHBondContact N-O 3.15Å; T46-K287 PolarHBondContact O-N 3.09Å; T46-K287 VanDerWaalsContact O-N 3.08Å
47I94.6Very high95.5Very high15 Ų1539.7 Ų39.78%0.07722%0.218CC..  trans-136.2142.2-168.2-67.6178.1000110.5L39 L45 Q49 F53 L54 I72 C76L39-I47 HydrophobicContact CD1-CG2 4.43Å; L39-I47 HydrophobicContact CD2-CD1 3.53Å; L39-I47 HydrophobicContact CD2-CG2 4.39Å; L45-I47 HydrophobicContact CB-CD1 3.6Å; L45-I47 HydrophobicContact CB-CG1 3.92Å; L45-I47 HydrophobicContact CD1-CD1 3.64Å; L45-I47 HydrophobicContact CG-CD1 4.09Å; I47-Q49 PolarHBondContact O-N 3.04Å; I47-Q49 PolarHBondContact O-NE2 2.98Å; I47-F53 HydrophobicContact CG2-CE1 3.72Å; I47-L54 HydrophobicContact CG2-CD2 4.41Å; I47-I72 HydrophobicContact CD1-CD1 4.34Å; I47-I72 HydrophobicContact CD1-CG1 4.2Å; I47-I72 HydrophobicContact CG2-CD1 3.94Å; I47-C76 VanDerWaalsContact CD1-SG 3.56Å; I47-C76 VanDerWaalsContact CG1-SG 3.59Å
48P92.9Very high95.5Very high8 Ų830.6 Ų30.65%0.05218%0.184CC..  trans-56.7135.7172.7-15.324.1000111.7D50 F53 C282 L283 V285 I286P48-D50 HydrophobicContact CB-CB 4.48Å; P48-D50 PolarHBondContact O-N 3.39Å; P48-F53 HydrophobicContact CB-CD1 4Å; P48-F53 HydrophobicContact CB-CE1 4.36Å; P48-F53 HydrophobicContact CG-CD1 4.09Å; P48-F53 HydrophobicContact CG-CE1 4.02Å; P48-C282 HydrophobicContact CB-CB 4.3Å; P48-C282 VanDerWaalsContact CG-O 3.29Å; P48-C282 WeakPolarHBondContact CG-O 3.44Å; P48-L283 HydrophobicContact CG-CD2 4.26Å; P48-V285 HydrophobicContact CB-CG2 4.29Å; P48-V285 HydrophobicContact CG-CG2 3.83Å; P48-I286 HydrophobicContact CG-CG1 4.16Å
49Q93.1Very high95.6Very high90 Ų9028.6 Ų28.642%0.42118%0.176SC..  trans-90.714.4175.8-61.4-59-53.100113.1K36 I47K36-Q49 WeakPolarHBondContact CE-O 3.13Å; K36-Q49 PolarHBondContact NZ-O 3.22Å; I47-Q49 PolarHBondContact O-N 3.04Å; I47-Q49 PolarHBondContact O-NE2 2.98Å
50D94Very high95.6Very high67 Ų6730.5 Ų30.536%0.35818%0.183SC..  trans-68128.2-179.4179-96000111.3P48 A52 F53 L54P48-D50 HydrophobicContact CB-CB 4.48Å; P48-D50 PolarHBondContact O-N 3.39Å; D50-A52 WeakPolarHBondContact OD1-CB 3.3Å; D50-A52 PolarHBondContact OD1-N 2.71Å; D50-A52 VanDerWaalsContact OD1-N 3.16Å; D50-F53 HydrophobicContact CB-CB 4.1Å; D50-F53 PolarHBondContact O-N 3.11Å; D50-F53 PolarHBondContact OD1-N 3.21Å; D50-L54 VanDerWaalsContact O-CG 3.3Å; D50-L54 WeakPolarHBondContact O-CG 3.26Å; D50-L54 PolarHBondContact O-N 2.8Å; D50-L54 VanDerWaalsContact O-N 3.08Å
51D94.4Very high95.7Very high20 Ų2025.9 Ų25.911%0.10715%0.151CC..Hα-helixtrans-67.7-39.1-173.9-75.7-24.8000112.5V5 L32 K36 F53 L54 L55V5-D51 HydrophobicContact CG2-CB 3.59Å; L32-D51 HydrophobicContact CD1-CB 4.02Å; L32-D51 HydrophobicContact CD2-CB 4.47Å; K36-D51 WeakPolarHBondContact CE-OD1 3.48Å; K36-D51 IonicContact NZ-OD1 2.86Å; K36-D51 PolarHBondContact NZ-OD1 3.28Å; K36-D51 IonicContact NZ-OD2 3.77Å; D51-F53 VanDerWaalsContact C-N 3.34Å; D51-F53 PolarHBondContact O-N 3.08Å; D51-L54 PolarHBondContact O-N 3.26Å; D51-L55 VanDerWaalsContact O-CB 3.26Å; D51-L55 WeakPolarHBondContact O-CB 3.4Å; D51-L55 VanDerWaalsContact O-CG 3.23Å; D51-L55 WeakPolarHBondContact O-CG 3.32Å; D51-L55 PolarHBondContact O-N 3.4Å
52A92.1Very high95.8Very high32 Ų3226.3 Ų26.326%0.26414%0.144SC..Hα-helixtrans-64.5-41.5179.500000111.1D50 G56 Q157D50-A52 WeakPolarHBondContact OD1-CB 3.3Å; D50-A52 PolarHBondContact OD1-N 2.71Å; D50-A52 VanDerWaalsContact OD1-N 3.16Å; A52-G56 PolarHBondContact O-N 3.34Å; A52-Q157 PolarHBondContact O-NE2 3.09Å
53F95.1Very high95.8Very high1 Ų126.7 Ų26.70%0.00415%0.145CC..Hα-helixtrans-60.6-50.4173.4171.4-111.4000112.4I47 P48 D50 D51 L55 G56 F57 I72 F75 L152 L283 I286I47-F53 HydrophobicContact CG2-CE1 3.72Å; P48-F53 HydrophobicContact CB-CD1 4Å; P48-F53 HydrophobicContact CB-CE1 4.36Å; P48-F53 HydrophobicContact CG-CD1 4.09Å; P48-F53 HydrophobicContact CG-CE1 4.02Å; D50-F53 HydrophobicContact CB-CB 4.1Å; D50-F53 PolarHBondContact O-N 3.11Å; D50-F53 PolarHBondContact OD1-N 3.21Å; D51-F53 VanDerWaalsContact C-N 3.34Å; D51-F53 PolarHBondContact O-N 3.08Å; F53-L55 PolarHBondContact O-N 3.42Å; F53-G56 PolarHBondContact O-N 3.05Å; F53-F57 HydrophobicContact CD1-CE2 4.49Å; F53-F57 AromaticContact CD2-CE2 3.96Å; F53-F57 HydrophobicContact CD2-CE2 3.96Å; F53-F57 AromaticContact CE1-CE2 3.97Å; F53-F57 HydrophobicContact CE1-CE2 3.97Å; F53-F57 AromaticContact CE2-CE2 3.4Å; F53-F57 HydrophobicContact CE2-CE2 3.4Å; F53-F57 VanDerWaalsContact CE2-CE2 3.4Å; F53-F57 AromaticContact CE2-CZ 3.89Å; F53-F57 HydrophobicContact CE2-CZ 3.89Å; F53-F57 HydrophobicContact CG-CE2 4.5Å; F53-F57 HydrophobicContact CZ-CD2 4.46Å; F53-F57 AromaticContact CZ-CE2 3.4Å; F53-F57 HydrophobicContact CZ-CE2 3.4Å; F53-F57 VanDerWaalsContact CZ-CE2 3.4Å; F53-F57 AromaticContact CZ-CZ 3.86Å; F53-F57 HydrophobicContact CZ-CZ 3.86Å; F53-F57 WeakPolarHBondContact O-CD2 3.38Å; F53-I72 HydrophobicContact CE1-CD1 3.96Å; F53-I72 HydrophobicContact CZ-CD1 4.32Å; F53-F75 HydrophobicContact CE2-CD1 4.38Å; F53-F75 AromaticContact CE2-CE1 3.68Å; F53-F75 HydrophobicContact CE2-CE1 3.68Å; F53-F75 HydrophobicContact CE2-CZ 4.13Å; F53-F75 HydrophobicContact CZ-CD1 4.18Å; F53-F75 AromaticContact CZ-CE1 3.83Å; F53-F75 HydrophobicContact CZ-CE1 3.83Å; F53-L152 HydrophobicContact CB-CD2 3.78Å; F53-L152 HydrophobicContact CD2-CD2 4.02Å; F53-L152 HydrophobicContact CG-CD2 4.39Å; F53-L283 HydrophobicContact CD2-CD2 3.32Å; F53-L283 HydrophobicContact CE2-CD2 3.22Å; F53-L283 HydrophobicContact CG-CD2 4.05Å; F53-L283 HydrophobicContact CZ-CD2 3.93Å; F53-I286 HydrophobicContact CZ-CD1 4.4Å
54L97.1Very high95.9Very high0 Ų026.5 Ų26.50%014%0.14CC..Hα-helixtrans-67.2-36.4-177.6-66.7-179.1000112.6L32 F35 K36 L39 I47 D50 D51 G56 F57 L58 I72L32-L54 HydrophobicContact CD2-CB 3.82Å; F35-L54 HydrophobicContact CD1-CB 4.16Å; F35-L54 HydrophobicContact CD1-CD2 4.16Å; F35-L54 HydrophobicContact CE1-CB 4.35Å; F35-L54 HydrophobicContact CE1-CD2 3.95Å; K36-L54 HydrophobicContact CD-CD1 4.21Å; K36-L54 HydrophobicContact CG-CD1 3.58Å; L39-L54 HydrophobicContact CD1-CD1 4.16Å; L39-L54 HydrophobicContact CD1-CD2 3.52Å; I47-L54 HydrophobicContact CG2-CD2 4.41Å; D50-L54 VanDerWaalsContact O-CG 3.3Å; D50-L54 WeakPolarHBondContact O-CG 3.26Å; D50-L54 PolarHBondContact O-N 2.8Å; D50-L54 VanDerWaalsContact O-N 3.08Å; D51-L54 PolarHBondContact O-N 3.26Å; L54-G56 PolarHBondContact O-N 3.4Å; L54-F57 PolarHBondContact O-N 3.34Å; L54-F57 VanDerWaalsContact O-N 3.15Å; L54-L58 PolarHBondContact O-N 3.36Å; L54-I72 HydrophobicContact CD2-CD1 3.67Å
55L96.1Very high95.9Very high0 Ų028.8 Ų28.80%015%0.15CC..Hα-helixtrans-56.8-35.5173.2-83.3175.2000112.2V5 I28 L32 D51 F53 F57 L58 R59V5-L55 HydrophobicContact CG1-CD1 4.27Å; I28-L55 HydrophobicContact CG2-CD2 3.91Å; L32-L55 HydrophobicContact CD1-CD2 4.27Å; L32-L55 HydrophobicContact CD1-CG 4.23Å; L32-L55 HydrophobicContact CD2-CD2 4.33Å; L32-L55 HydrophobicContact CD2-CG 4.15Å; L32-L55 HydrophobicContact CG-CD2 4.28Å; L32-L55 HydrophobicContact CG-CG 4.46Å; D51-L55 VanDerWaalsContact O-CB 3.26Å; D51-L55 WeakPolarHBondContact O-CB 3.4Å; D51-L55 VanDerWaalsContact O-CG 3.23Å; D51-L55 WeakPolarHBondContact O-CG 3.32Å; D51-L55 PolarHBondContact O-N 3.4Å; F53-L55 PolarHBondContact O-N 3.42Å; L55-F57 VanDerWaalsContact C-N 3.26Å; L55-F57 PolarHBondContact O-N 3.46Å; L55-L58 HydrophobicContact CD2-CD1 4.4Å; L55-L58 PolarHBondContact O-N 2.97Å; L55-R59 VanDerWaalsContact O-CB 3.24Å; L55-R59 WeakPolarHBondContact O-CB 3.47Å; L55-R59 VanDerWaalsContact O-CG 3.29Å; L55-R59 WeakPolarHBondContact O-CG 3.48Å; L55-R59 PolarHBondContact O-N 3.03Å
56G96.5Very high95.9Very high0 Ų031.5 Ų31.50%017%0.17CC..Hα-helixtrans-54.8-41.1176.400000113A52 F53 L54 Y60A52-G56 PolarHBondContact O-N 3.34Å; F53-G56 PolarHBondContact O-N 3.05Å; L54-G56 PolarHBondContact O-N 3.4Å; G56-Y60 VanDerWaalsContact O-CB 3.32Å; G56-Y60 WeakPolarHBondContact O-CB 3.09Å; G56-Y60 PolarHBondContact O-N 3.27Å
57F97.8Very high95.8Very high0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-73.9-41.5179.1-64.7-88.7000112.6F35 F53 L54 L55 Y60 A61 A68 R71 I72 F75 P196F35-F57 HydrophobicContact CE1-CB 4.12Å; F35-F57 HydrophobicContact CZ-CB 4.12Å; F53-F57 HydrophobicContact CD1-CE2 4.49Å; F53-F57 AromaticContact CD2-CE2 3.96Å; F53-F57 HydrophobicContact CD2-CE2 3.96Å; F53-F57 AromaticContact CE1-CE2 3.97Å; F53-F57 HydrophobicContact CE1-CE2 3.97Å; F53-F57 AromaticContact CE2-CE2 3.4Å; F53-F57 HydrophobicContact CE2-CE2 3.4Å; F53-F57 VanDerWaalsContact CE2-CE2 3.4Å; F53-F57 AromaticContact CE2-CZ 3.89Å; F53-F57 HydrophobicContact CE2-CZ 3.89Å; F53-F57 HydrophobicContact CG-CE2 4.5Å; F53-F57 HydrophobicContact CZ-CD2 4.46Å; F53-F57 AromaticContact CZ-CE2 3.4Å; F53-F57 HydrophobicContact CZ-CE2 3.4Å; F53-F57 VanDerWaalsContact CZ-CE2 3.4Å; F53-F57 AromaticContact CZ-CZ 3.86Å; F53-F57 HydrophobicContact CZ-CZ 3.86Å; F53-F57 WeakPolarHBondContact O-CD2 3.38Å; L54-F57 PolarHBondContact O-N 3.34Å; L54-F57 VanDerWaalsContact O-N 3.15Å; L55-F57 VanDerWaalsContact C-N 3.26Å; L55-F57 PolarHBondContact O-N 3.46Å; F57-Y60 PolarHBondContact O-N 2.78Å; F57-A61 VanDerWaalsContact O-CB 3.25Å; F57-A61 WeakPolarHBondContact O-CB 3.42Å; F57-A61 PolarHBondContact O-N 3.47Å; F57-A68 HydrophobicContact CB-CB 4.43Å; F57-R71 HydrophobicContact CD1-CB 4.1Å; F57-R71 HydrophobicContact CD1-CG 3.69Å; F57-R71 HydrophobicContact CE1-CG 4.05Å; F57-I72 HydrophobicContact CD1-CB 3.53Å; F57-I72 HydrophobicContact CD1-CG1 4.01Å; F57-I72 HydrophobicContact CD2-CB 4.32Å; F57-I72 HydrophobicContact CD2-CD1 3.79Å; F57-I72 HydrophobicContact CD2-CG1 4.05Å; F57-I72 VanDerWaalsContact CE1-CA 3.41Å; F57-I72 HydrophobicContact CE1-CB 3.73Å; F57-I72 HydrophobicContact CE1-CG1 3.86Å; F57-I72 HydrophobicContact CE2-CB 4.47Å; F57-I72 HydrophobicContact CE2-CD1 3.89Å; F57-I72 HydrophobicContact CE2-CG1 3.89Å; F57-I72 HydrophobicContact CG-CB 3.86Å; F57-I72 HydrophobicContact CG-CD1 4.14Å; F57-I72 HydrophobicContact CG-CG1 4.12Å; F57-I72 HydrophobicContact CZ-CB 4.21Å; F57-I72 HydrophobicContact CZ-CD1 4.32Å; F57-I72 HydrophobicContact CZ-CG1 3.79Å; F57-F75 HydrophobicContact CE1-CB 3.81Å; F57-F75 HydrophobicContact CE1-CD2 4.49Å; F57-F75 HydrophobicContact CE1-CG 4.07Å; F57-F75 HydrophobicContact CZ-CB 3.97Å; F57-F75 AromaticContact CZ-CD1 3.82Å; F57-F75 HydrophobicContact CZ-CD1 3.82Å; F57-F75 HydrophobicContact CZ-CD2 4.2Å; F57-F75 HydrophobicContact CZ-CE1 4.24Å; F57-F75 AromaticContact CZ-CG 3.76Å; F57-F75 HydrophobicContact CZ-CG 3.76Å; F57-P196 HydrophobicContact CD1-CB 3.91Å; F57-P196 HydrophobicContact CD2-CB 4.2Å; F57-P196 HydrophobicContact CE1-CB 3.76Å; F57-P196 HydrophobicContact CE1-CG 4.16Å; F57-P196 HydrophobicContact CE2-CB 4.06Å; F57-P196 HydrophobicContact CE2-CG 4.14Å; F57-P196 HydrophobicContact CG-CB 4.11Å; F57-P196 HydrophobicContact CZ-CB 3.85Å; F57-P196 HydrophobicContact CZ-CG 3.83Å
58L97.9Very high95.9Very high0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-61.6-46.6174.8-69.3170.1000110.6H31 L32 F35 L54 L55 A61 H62 Y63 A68H31-L58 HydrophobicContact CB-CD1 3.98Å; L32-L58 HydrophobicContact CD2-CD1 4.13Å; L32-L58 HydrophobicContact CG-CD1 4.37Å; F35-L58 HydrophobicContact CB-CD2 4.45Å; F35-L58 HydrophobicContact CD1-CD1 4.47Å; F35-L58 HydrophobicContact CD1-CD2 4.46Å; F35-L58 HydrophobicContact CD1-CG 4.26Å; F35-L58 HydrophobicContact CG-CD2 4.29Å; L54-L58 PolarHBondContact O-N 3.36Å; L55-L58 HydrophobicContact CD2-CD1 4.4Å; L55-L58 PolarHBondContact O-N 2.97Å; L58-A61 CarbonylContact O-C 3.49Å; L58-A61 PolarHBondContact O-N 3.44Å; L58-A61 VanDerWaalsContact O-N 3.15Å; L58-H62 PolarHBondContact O-N 3.47Å; L58-H62 VanDerWaalsContact O-N 3.1Å; L58-Y63 HydrophobicContact CB-CD1 4.05Å; L58-Y63 HydrophobicContact CB-CE1 3.96Å; L58-Y63 HydrophobicContact CD1-CE1 4.3Å; L58-Y63 HydrophobicContact CD2-CD1 4.49Å; L58-Y63 PolarHBondContact O-N 3.1Å; L58-A68 HydrophobicContact CD2-CB 4.24Å
59R97.3Very high96Very high1 Ų131.5 Ų31.50%0.00417%0.168CC..Hα-helixtrans-61-45.4176.1-76.8172172.4157-3111.8L21 E23 L55 A61 H62 Y63 E154 R198L21-R59 HydrophobicContact CD1-CB 4.06Å; L21-R59 HydrophobicContact CD1-CG 4.03Å; E23-R59 IonicContact OE1-CZ 2.82Å; E23-R59 IonicContact OE1-NE 3.6Å; E23-R59 IonicContact OE1-NH2 2.65Å; E23-R59 PolarHBondContact OE1-NH2 3.09Å; E23-R59 VanDerWaalsContact OE1-NH2 3.07Å; E23-R59 VanDerWaalsContact OE2-CG 3.25Å; E23-R59 WeakPolarHBondContact OE2-CG 3.32Å; E23-R59 IonicContact OE2-CZ 3.07Å; E23-R59 IonicContact OE2-NE 3.59Å; E23-R59 PolarHBondContact OE2-NE 2.83Å; E23-R59 IonicContact OE2-NH2 2.69Å; L55-R59 VanDerWaalsContact O-CB 3.24Å; L55-R59 WeakPolarHBondContact O-CB 3.47Å; L55-R59 VanDerWaalsContact O-CG 3.29Å; L55-R59 WeakPolarHBondContact O-CG 3.48Å; L55-R59 PolarHBondContact O-N 3.03Å; R59-A61 PolarHBondContact O-N 3.02Å; R59-H62 PolarHBondContact O-N 2.92Å; R59-Y63 HydrophobicContact CG-CE2 4.38Å; R59-E154 IonicContact CZ-OE1 2.73Å; R59-E154 VanDerWaalsContact CZ-OE1 3.3Å; R59-E154 IonicContact NH1-OE1 3.53Å; R59-E154 PolarHBondContact NH1-OE1 3.43Å; R59-E154 IonicContact NH2-OE1 3.53Å; R59-E154 PolarHBondContact NH2-OE1 3.37Å; R59-R198 PolarHBondContact O-NH2 2.8Å
60Y96.4Very high96.1Very high49 Ų4931.2 Ų31.219%0.19217%0.165CC..Hα-helixtrans-55-43.6173.6174.6-87.7000111.9G56 F57 H62 V67 R71 R198G56-Y60 VanDerWaalsContact O-CB 3.32Å; G56-Y60 WeakPolarHBondContact O-CB 3.09Å; G56-Y60 PolarHBondContact O-N 3.27Å; F57-Y60 PolarHBondContact O-N 2.78Å; Y60-H62 VanDerWaalsContact C-N 3.3Å; Y60-H62 PolarHBondContact O-CD2 2.78Å; Y60-H62 PolarHBondContact O-N 2.72Å; Y60-V67 HydrophobicContact CE1-CG1 4.36Å; Y60-R71 HydrophobicContact CD1-CB 4.39Å; Y60-R71 HydrophobicContact CD1-CG 3.91Å; Y60-R71 HydrophobicContact CE1-CG 4.15Å; Y60-R71 VanDerWaalsContact CE1-NE 3.33Å; Y60-R71 HydrophobicContact CG-CG 4.43Å; Y60-R71 PolarHBondContact OH-NH1 3.01Å; Y60-R71 PolarHBondContact OH-NH2 3.04Å; Y60-R198 HydrophobicContact CD2-CG 3.97Å; Y60-R198 HydrophobicContact CE2-CG 4.19Å; Y60-R198 PolarHBondContact O-NE 3.5Å; Y60-R198 PolarHBondContact O-NH2 2.84Å
61A96.7Very high96.2Very high6 Ų629 Ų295%0.0515%0.152CC..THydrogen-bonded Turntrans-842.5-174.800000114.5F57 L58 R59 Y63 D64 V67 A68F57-A61 VanDerWaalsContact O-CB 3.25Å; F57-A61 WeakPolarHBondContact O-CB 3.42Å; F57-A61 PolarHBondContact O-N 3.47Å; L58-A61 CarbonylContact O-C 3.49Å; L58-A61 PolarHBondContact O-N 3.44Å; L58-A61 VanDerWaalsContact O-N 3.15Å; R59-A61 PolarHBondContact O-N 3.02Å; A61-Y63 PolarHBondContact O-N 3.49Å; A61-D64 VanDerWaalsContact CB-O 3.3Å; A61-D64 WeakPolarHBondContact CB-O 3.39Å; A61-D64 VanDerWaalsContact O-CB 3.31Å; A61-D64 WeakPolarHBondContact O-CB 3.37Å; A61-D64 PolarHBondContact O-N 2.89Å; A61-V67 HydrophobicContact CB-CB 3.88Å; A61-V67 HydrophobicContact CB-CG1 3.79Å; A61-A68 HydrophobicContact CB-CB 3.73Å
62H96.7Very high96.3Very high85 Ų8528 Ų2839%0.39415%0.147SC..THydrogen-bonded Turntrans55.236.9-172.6-55.2-124.6000111.8N20 L21 L58 R59 Y60 D64 R198N20-H62 PolarHBondContact O-CE1 3.22Å; N20-H62 PolarHBondContact O-ND1 2.83Å; L21-H62 CarbonylContact O-C 3.6Å; L21-H62 WeakPolarHBondContact O-CA 3.38Å; L58-H62 PolarHBondContact O-N 3.47Å; L58-H62 VanDerWaalsContact O-N 3.1Å; R59-H62 PolarHBondContact O-N 2.92Å; Y60-H62 VanDerWaalsContact C-N 3.3Å; Y60-H62 PolarHBondContact O-CD2 2.78Å; Y60-H62 PolarHBondContact O-N 2.72Å; H62-D64 PolarHBondContact O-N 2.76Å; H62-D64 VanDerWaalsContact O-N 3.14Å; H62-R198 PolarHBondContact CD2-NH2 3.1Å; H62-R198 PolarHBondContact NE2-NH2 3.15Å
63Y96.8Very high96.6Very high16 Ų1626.5 Ų26.56%0.06314%0.135CC..THydrogen-bonded Turntrans62.311.1-176-70.2-95.9000115.7L21 E23 H31 L58 R59 A61 H65L21-Y63 WeakPolarHBondContact O-CD2 3.47Å; E23-Y63 HydrophobicContact CB-CD2 4.41Å; E23-Y63 HydrophobicContact CB-CE2 3.59Å; E23-Y63 HydrophobicContact CG-CE2 3.75Å; E23-Y63 WeakPolarHBondContact CG-OH 3.18Å; E23-Y63 WeakPolarHBondContact OE2-CE2 3.44Å; E23-Y63 PolarHBondContact OE2-OH 3.3Å; H31-Y63 HydrophobicContact CB-CD1 3.88Å; H31-Y63 HydrophobicContact CB-CE1 4.01Å; H31-Y63 AromaticContact CD2-CD1 3.55Å; H31-Y63 AromaticContact CD2-CE1 4Å; H31-Y63 AromaticContact CE1-CD1 3.85Å; H31-Y63 AromaticContact CG-CD1 3.45Å; H31-Y63 VanDerWaalsContact CG-CD1 3.45Å; H31-Y63 AromaticContact CG-CE1 3.98Å; H31-Y63 AromaticContact ND1-CD1 3.62Å; H31-Y63 AromaticContact NE2-CD1 3.83Å; L58-Y63 HydrophobicContact CB-CD1 4.05Å; L58-Y63 HydrophobicContact CB-CE1 3.96Å; L58-Y63 HydrophobicContact CD1-CE1 4.3Å; L58-Y63 HydrophobicContact CD2-CD1 4.49Å; L58-Y63 PolarHBondContact O-N 3.1Å; R59-Y63 HydrophobicContact CG-CE2 4.38Å; A61-Y63 PolarHBondContact O-N 3.49Å; Y63-H65 PolarHBondContact O-CD2 3.02Å; Y63-H65 PolarHBondContact O-N 2.81Å
64D97.6Very high96.6Very high76 Ų7626.6 Ų26.641%0.40614%0.135SC..  trans-69.4110.7164.2-173.7-45.3000109.6A61 H62 S66 V67 A68A61-D64 VanDerWaalsContact CB-O 3.3Å; A61-D64 WeakPolarHBondContact CB-O 3.39Å; A61-D64 VanDerWaalsContact O-CB 3.31Å; A61-D64 WeakPolarHBondContact O-CB 3.37Å; A61-D64 PolarHBondContact O-N 2.89Å; H62-D64 PolarHBondContact O-N 2.76Å; H62-D64 VanDerWaalsContact O-N 3.14Å; D64-S66 VanDerWaalsContact C-N 3.34Å; D64-S66 PolarHBondContact O-N 3.05Å; D64-S66 WeakPolarHBondContact OD1-CA 3.32Å; D64-S66 WeakPolarHBondContact OD1-CB 3.38Å; D64-S66 PolarHBondContact OD1-N 3.3Å; D64-S66 PolarHBondContact OD1-OG 2.62Å; D64-V67 HydrophobicContact CB-CB 4.15Å; D64-V67 HydrophobicContact CB-CG2 4.1Å; D64-V67 PolarHBondContact O-N 3.24Å; D64-V67 PolarHBondContact OD1-N 3.47Å; D64-V67 VanDerWaalsContact OD1-N 3.13Å; D64-A68 WeakPolarHBondContact O-CB 3.25Å; D64-A68 PolarHBondContact O-N 3.4Å
65H97.1Very high96.5Very high49 Ų4926.7 Ų26.723%0.22714%0.135CC..Hα-helixtrans-63-39.7-177.4-80.8-111000112.2H31 Y63 V67 A68 Q69H31-H65 AromaticContact CE1-NE2 3.79Å; H31-H65 AromaticContact CG-NE2 3.93Å; H31-H65 AromaticContact ND1-CD2 3.69Å; H31-H65 AromaticContact ND1-CE1 3.98Å; H31-H65 AromaticContact ND1-NE2 2.95Å; H31-H65 PolarHBondContact ND1-NE2 3.46Å; Y63-H65 PolarHBondContact O-CD2 3.02Å; Y63-H65 PolarHBondContact O-N 2.81Å; H65-V67 VanDerWaalsContact C-N 3.3Å; H65-V67 PolarHBondContact O-N 3.49Å; H65-A68 PolarHBondContact O-N 3.47Å; H65-Q69 VanDerWaalsContact O-CB 3.27Å; H65-Q69 WeakPolarHBondContact O-CB 3.5Å; H65-Q69 WeakPolarHBondContact O-CG 3.32Å; H65-Q69 PolarHBondContact O-N 3.15Å
66S95.5Very high96.5Very high73 Ų7326.7 Ų26.751%0.5114%0.135SC..Hα-helixtrans-63.7-39.6-17874.20000111.6D64 K70D64-S66 VanDerWaalsContact C-N 3.34Å; D64-S66 PolarHBondContact O-N 3.05Å; D64-S66 WeakPolarHBondContact OD1-CA 3.32Å; D64-S66 WeakPolarHBondContact OD1-CB 3.38Å; D64-S66 PolarHBondContact OD1-N 3.3Å; D64-S66 PolarHBondContact OD1-OG 2.62Å; S66-K70 WeakPolarHBondContact O-CB 3.31Å; S66-K70 PolarHBondContact O-N 2.7Å; S66-K70 VanDerWaalsContact O-N 3.14Å
67V95.8Very high96.5Very high58 Ų5826.9 Ų26.935%0.35214%0.137SC..Hα-helixtrans-70.4-42.1176.7176.60000110.8Y60 A61 D64 H65 R71Y60-V67 HydrophobicContact CE1-CG1 4.36Å; A61-V67 HydrophobicContact CB-CB 3.88Å; A61-V67 HydrophobicContact CB-CG1 3.79Å; D64-V67 HydrophobicContact CB-CB 4.15Å; D64-V67 HydrophobicContact CB-CG2 4.1Å; D64-V67 PolarHBondContact O-N 3.24Å; D64-V67 PolarHBondContact OD1-N 3.47Å; D64-V67 VanDerWaalsContact OD1-N 3.13Å; H65-V67 VanDerWaalsContact C-N 3.3Å; H65-V67 PolarHBondContact O-N 3.49Å; V67-R71 VanDerWaalsContact O-CB 3.29Å; V67-R71 WeakPolarHBondContact O-CB 3.33Å; V67-R71 PolarHBondContact O-N 3.4Å
68A96.8Very high96.3Very high0 Ų026.9 Ų26.90%014%0.137CC..Hα-helixtrans-62.6-43.4177.300000112F35 F57 L58 A61 D64 H65 R71 I72F35-A68 HydrophobicContact CE2-CB 3.91Å; F35-A68 HydrophobicContact CZ-CB 4.03Å; F57-A68 HydrophobicContact CB-CB 4.43Å; L58-A68 HydrophobicContact CD2-CB 4.24Å; A61-A68 HydrophobicContact CB-CB 3.73Å; D64-A68 WeakPolarHBondContact O-CB 3.25Å; D64-A68 PolarHBondContact O-N 3.4Å; H65-A68 PolarHBondContact O-N 3.47Å; A68-R71 PolarHBondContact O-N 2.69Å; A68-I72 WeakPolarHBondContact O-CG2 3.42Å; A68-I72 PolarHBondContact O-N 3.17Å
69Q95.8Very high96.2Very high38 Ų3827.9 Ų27.918%0.17814%0.141CC..Hα-helixtrans-60.2-50.8177.8-73170.53.900111.7F35 W38 H65 R71 I72 D73F35-Q69 HydrophobicContact CD2-CG 4.34Å; F35-Q69 HydrophobicContact CE2-CG 3.94Å; W38-Q69 HydrophobicContact CD2-CB 4.29Å; W38-Q69 HydrophobicContact CD2-CG 3.48Å; W38-Q69 VanDerWaalsContact CD2-CG 3.48Å; W38-Q69 VanDerWaalsContact CE2-CG 3.5Å; W38-Q69 HydrophobicContact CE3-CB 4.3Å; W38-Q69 HydrophobicContact CE3-CG 3.61Å; W38-Q69 HydrophobicContact CG-CG 4.09Å; W38-Q69 HydrophobicContact CH2-CB 3.56Å; W38-Q69 HydrophobicContact CH2-CG 3.82Å; W38-Q69 WeakPolarHBondContact CH2-O 3.34Å; W38-Q69 HydrophobicContact CZ2-CB 3.52Å; W38-Q69 HydrophobicContact CZ2-CG 3.69Å; W38-Q69 HydrophobicContact CZ3-CB 3.95Å; W38-Q69 HydrophobicContact CZ3-CG 3.77Å; H65-Q69 VanDerWaalsContact O-CB 3.27Å; H65-Q69 WeakPolarHBondContact O-CB 3.5Å; H65-Q69 WeakPolarHBondContact O-CG 3.32Å; H65-Q69 PolarHBondContact O-N 3.15Å; Q69-R71 VanDerWaalsContact C-N 3.31Å; Q69-R71 PolarHBondContact O-N 3Å; Q69-I72 WeakPolarHBondContact O-CG2 3.37Å; Q69-I72 PolarHBondContact O-N 3.48Å; Q69-D73 WeakPolarHBondContact O-CB 3.37Å; Q69-D73 PolarHBondContact O-N 3.31Å; Q69-D73 VanDerWaalsContact O-N 3.11Å
70K95.5Very high96.1Very high84 Ų8430 Ų3037%0.36516%0.155SC..Hα-helixtrans-59.7-41.3174.8167.8161.9160138.90111.9S66 N74 Y300S66-K70 WeakPolarHBondContact O-CB 3.31Å; S66-K70 PolarHBondContact O-N 2.7Å; S66-K70 VanDerWaalsContact O-N 3.14Å; K70-N74 VanDerWaalsContact O-CB 3.32Å; K70-N74 WeakPolarHBondContact O-CB 3.38Å; K70-N74 PolarHBondContact O-N 2.93Å; K70-N74 PolarHBondContact O-ND2 3.06Å; K70-Y300 HydrophobicContact CB-CD2 4.25Å; K70-Y300 HydrophobicContact CB-CG 4.21Å; K70-Y300 HydrophobicContact CD-CG 4.48Å; K70-Y300 WeakPolarHBondContact CD-O 3.28Å; K70-Y300 WeakPolarHBondContact CE-O 3.3Å; K70-Y300 HydrophobicContact CG-CG 4.09Å; K70-Y300 PolarHBondContact NZ-O 3.44Å
71R96.4Very high96Very high20 Ų2028.8 Ų28.88%0.07515%0.152CC..Hα-helixtrans-66.2-46.6-179.6-175.258.652.5157.7-14.6112.6F57 Y60 V67 A68 Q69 N74 F75 Q192 E193 A194F57-R71 HydrophobicContact CD1-CB 4.1Å; F57-R71 HydrophobicContact CD1-CG 3.69Å; F57-R71 HydrophobicContact CE1-CG 4.05Å; Y60-R71 HydrophobicContact CD1-CB 4.39Å; Y60-R71 HydrophobicContact CD1-CG 3.91Å; Y60-R71 HydrophobicContact CE1-CG 4.15Å; Y60-R71 VanDerWaalsContact CE1-NE 3.33Å; Y60-R71 HydrophobicContact CG-CG 4.43Å; Y60-R71 PolarHBondContact OH-NH1 3.01Å; Y60-R71 PolarHBondContact OH-NH2 3.04Å; V67-R71 VanDerWaalsContact O-CB 3.29Å; V67-R71 WeakPolarHBondContact O-CB 3.33Å; V67-R71 PolarHBondContact O-N 3.4Å; A68-R71 PolarHBondContact O-N 2.69Å; Q69-R71 VanDerWaalsContact C-N 3.31Å; Q69-R71 PolarHBondContact O-N 3Å; R71-N74 PolarHBondContact O-N 3.21Å; R71-F75 WeakPolarHBondContact O-CB 3.26Å; R71-F75 PolarHBondContact O-N 3.03Å; R71-Q192 VanDerWaalsContact CZ-O 3.28Å; R71-Q192 VanDerWaalsContact NH1-C 3.29Å; R71-Q192 PolarHBondContact NH1-O 2.86Å; R71-Q192 PolarHBondContact NH2-O 3.38Å; R71-E193 VanDerWaalsContact CD-O 3.27Å; R71-E193 WeakPolarHBondContact CD-O 3.45Å; R71-E193 PolarHBondContact NE-O 3.32Å; R71-E193 VanDerWaalsContact NH1-CA 3.34Å; R71-E193 PolarHBondContact NH1-O 3.04Å; R71-A194 WeakPolarHBondContact CD-O 3.32Å
72I96.5Very high95.7Very high0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-70.2-36.6-178.5-164167.4000112F35 W38 L39 I47 F53 L54 F57 A68 Q69 F75 C76F35-I72 HydrophobicContact CE1-CD1 4.03Å; F35-I72 HydrophobicContact CE2-CG2 4.25Å; F35-I72 HydrophobicContact CZ-CB 4.16Å; F35-I72 HydrophobicContact CZ-CD1 4.08Å; F35-I72 HydrophobicContact CZ-CG2 3.7Å; W38-I72 HydrophobicContact CH2-CG2 4.08Å; W38-I72 HydrophobicContact CZ3-CG2 3.69Å; L39-I72 HydrophobicContact CD1-CD1 4.41Å; L39-I72 HydrophobicContact CD2-CD1 4.23Å; L39-I72 HydrophobicContact CD2-CG2 4.24Å; I47-I72 HydrophobicContact CD1-CD1 4.34Å; I47-I72 HydrophobicContact CD1-CG1 4.2Å; I47-I72 HydrophobicContact CG2-CD1 3.94Å; F53-I72 HydrophobicContact CE1-CD1 3.96Å; F53-I72 HydrophobicContact CZ-CD1 4.32Å; L54-I72 HydrophobicContact CD2-CD1 3.67Å; F57-I72 HydrophobicContact CD1-CB 3.53Å; F57-I72 HydrophobicContact CD1-CG1 4.01Å; F57-I72 HydrophobicContact CD2-CB 4.32Å; F57-I72 HydrophobicContact CD2-CD1 3.79Å; F57-I72 HydrophobicContact CD2-CG1 4.05Å; F57-I72 VanDerWaalsContact CE1-CA 3.41Å; F57-I72 HydrophobicContact CE1-CB 3.73Å; F57-I72 HydrophobicContact CE1-CG1 3.86Å; F57-I72 HydrophobicContact CE2-CB 4.47Å; F57-I72 HydrophobicContact CE2-CD1 3.89Å; F57-I72 HydrophobicContact CE2-CG1 3.89Å; F57-I72 HydrophobicContact CG-CB 3.86Å; F57-I72 HydrophobicContact CG-CD1 4.14Å; F57-I72 HydrophobicContact CG-CG1 4.12Å; F57-I72 HydrophobicContact CZ-CB 4.21Å; F57-I72 HydrophobicContact CZ-CD1 4.32Å; F57-I72 HydrophobicContact CZ-CG1 3.79Å; A68-I72 WeakPolarHBondContact O-CG2 3.42Å; A68-I72 PolarHBondContact O-N 3.17Å; Q69-I72 WeakPolarHBondContact O-CG2 3.37Å; Q69-I72 PolarHBondContact O-N 3.48Å; I72-F75 WeakPolarHBondContact O-CB 3.25Å; I72-F75 PolarHBondContact O-N 3.43Å; I72-C76 PolarHBondContact O-N 3.22Å; I72-C76 PolarHBondContact O-SG 2.87Å; I72-C76 VanDerWaalsContact O-SG 3.39Å
73D96.4Very high95.4Very high1 Ų135.5 Ų35.51%0.00519%0.191CC..Hα-helixtrans-61.9-49172.3-172.8-56.4000110.8H44 L45 Q69 F75 C76 S77 R293 Y300H44-D73 IonicContact CD2-OD2 2.73Å; H44-D73 IonicContact CE1-OD2 3.26Å; H44-D73 IonicContact NE2-OD2 2.75Å; H44-D73 PolarHBondContact NE2-OD2 3.47Å; L45-D73 HydrophobicContact CD1-CB 4.3Å; Q69-D73 WeakPolarHBondContact O-CB 3.37Å; Q69-D73 PolarHBondContact O-N 3.31Å; Q69-D73 VanDerWaalsContact O-N 3.11Å; D73-F75 PolarHBondContact O-N 2.85Å; D73-C76 PolarHBondContact O-N 3.34Å; D73-C76 VanDerWaalsContact O-N 3.12Å; D73-S77 VanDerWaalsContact O-CB 3.28Å; D73-S77 WeakPolarHBondContact O-CB 3.36Å; D73-S77 PolarHBondContact O-N 3.49Å; D73-S77 PolarHBondContact O-OG 2.87Å; D73-S77 PolarHBondContact OD1-OG 3.17Å; D73-R293 IonicContact OD1-CZ 2.79Å; D73-R293 IonicContact OD1-NH1 2.76Å; D73-R293 PolarHBondContact OD1-NH1 2.88Å; D73-R293 IonicContact OD1-NH2 3.66Å; D73-R293 IonicContact OD2-CZ 2.64Å; D73-R293 IonicContact OD2-NH1 3.36Å; D73-R293 PolarHBondContact OD2-NH1 3.26Å; D73-Y300 HydrophobicContact CB-CD2 3.77Å; D73-Y300 HydrophobicContact CB-CE2 4.16Å
74N96Very high95Very high3 Ų335.8 Ų35.82%0.01619%0.193CC..Hα-helixtrans-56-41.2175.6-78.4-8.7000111.9K70 R71 I78 E193 A194 Y300 M301K70-N74 VanDerWaalsContact O-CB 3.32Å; K70-N74 WeakPolarHBondContact O-CB 3.38Å; K70-N74 PolarHBondContact O-N 2.93Å; K70-N74 PolarHBondContact O-ND2 3.06Å; R71-N74 PolarHBondContact O-N 3.21Å; N74-I78 VanDerWaalsContact O-CB 3.3Å; N74-I78 WeakPolarHBondContact O-CB 3.47Å; N74-I78 WeakPolarHBondContact O-CG2 3.46Å; N74-I78 PolarHBondContact O-N 3.39Å; N74-E193 VanDerWaalsContact CB-O 3.3Å; N74-E193 WeakPolarHBondContact CB-O 3.24Å; N74-E193 PolarHBondContact ND2-O 2.84Å; N74-E193 VanDerWaalsContact ND2-O 3.17Å; N74-A194 HydrophobicContact CB-CB 4.49Å; N74-Y300 PolarHBondContact ND2-O 3.21Å; N74-Y300 WeakPolarHBondContact OD1-CB 3.38Å; N74-M301 HydrophobicContact CB-CE 3.46Å; N74-M301 VanDerWaalsContact CB-CE 3.46Å; N74-M301 WeakPolarHBondContact O-CE 3.43Å; N74-M301 PolarHBondContact OD1-N 3.13Å
75F96Very high94.5Very high1 Ų134.9 Ų34.90%0.00420%0.201CC..Hα-helixtrans-59.4-46.7176-176.9-99.6000112.3F53 F57 R71 I72 D73 R79 I151 A194 I286F53-F75 HydrophobicContact CE2-CD1 4.38Å; F53-F75 AromaticContact CE2-CE1 3.68Å; F53-F75 HydrophobicContact CE2-CE1 3.68Å; F53-F75 HydrophobicContact CE2-CZ 4.13Å; F53-F75 HydrophobicContact CZ-CD1 4.18Å; F53-F75 AromaticContact CZ-CE1 3.83Å; F53-F75 HydrophobicContact CZ-CE1 3.83Å; F57-F75 HydrophobicContact CE1-CB 3.81Å; F57-F75 HydrophobicContact CE1-CD2 4.49Å; F57-F75 HydrophobicContact CE1-CG 4.07Å; F57-F75 HydrophobicContact CZ-CB 3.97Å; F57-F75 AromaticContact CZ-CD1 3.82Å; F57-F75 HydrophobicContact CZ-CD1 3.82Å; F57-F75 HydrophobicContact CZ-CD2 4.2Å; F57-F75 HydrophobicContact CZ-CE1 4.24Å; F57-F75 AromaticContact CZ-CG 3.76Å; F57-F75 HydrophobicContact CZ-CG 3.76Å; R71-F75 WeakPolarHBondContact O-CB 3.26Å; R71-F75 PolarHBondContact O-N 3.03Å; I72-F75 WeakPolarHBondContact O-CB 3.25Å; I72-F75 PolarHBondContact O-N 3.43Å; D73-F75 PolarHBondContact O-N 2.85Å; F75-R79 VanDerWaalsContact CE1-NE 3.26Å; F75-R79 WeakPolarHBondContact O-CD 3.39Å; F75-R79 WeakPolarHBondContact O-CG 3.47Å; F75-I151 HydrophobicContact CE2-CD1 4.32Å; F75-A194 WeakPolarHBondContact CB-O 3.23Å; F75-A194 WeakPolarHBondContact CD2-O 3.47Å; F75-I286 HydrophobicContact CD1-CD1 4.19Å; F75-I286 HydrophobicContact CE1-CD1 3.65Å
76C96Very high94.3Very high0 Ų032.5 Ų32.50%019%0.19CC..Hα-helixtrans-71-44.9177.6-63.70000112L45 I47 I72 D73 I78 R79 C80 I286 V288L45-C76 HydrophobicContact CD2-CB 3.95Å; I47-C76 VanDerWaalsContact CD1-SG 3.56Å; I47-C76 VanDerWaalsContact CG1-SG 3.59Å; I72-C76 PolarHBondContact O-N 3.22Å; I72-C76 PolarHBondContact O-SG 2.87Å; I72-C76 VanDerWaalsContact O-SG 3.39Å; D73-C76 PolarHBondContact O-N 3.34Å; D73-C76 VanDerWaalsContact O-N 3.12Å; C76-I78 PolarHBondContact O-N 3.05Å; C76-R79 WeakPolarHBondContact O-CB 3.03Å; C76-R79 PolarHBondContact O-N 3.23Å; C76-C80 PolarHBondContact O-N 3.36Å; C76-C80 VanDerWaalsContact O-N 3.14Å; C76-C80 PolarHBondContact O-SG 3.24Å; C76-I286 HydrophobicContact CB-CG2 3.92Å; C76-V288 HydrophobicContact CB-CG2 3.69Å; C76-V288 WeakPolarHBondContact O-CG2 3.43Å
77S95.4Very high94.3Very high4 Ų430.4 Ų30.43%0.02817%0.174CC..Hα-helixtrans-60.5-47.4-177.8-63.60000111.9D73 R79 C80 L81 H84 R293D73-S77 VanDerWaalsContact O-CB 3.28Å; D73-S77 WeakPolarHBondContact O-CB 3.36Å; D73-S77 PolarHBondContact O-N 3.49Å; D73-S77 PolarHBondContact O-OG 2.87Å; D73-S77 PolarHBondContact OD1-OG 3.17Å; S77-R79 PolarHBondContact O-N 3.26Å; S77-C80 PolarHBondContact O-N 2.68Å; S77-L81 WeakPolarHBondContact O-CB 3.29Å; S77-L81 WeakPolarHBondContact O-CG 3.32Å; S77-L81 PolarHBondContact O-N 3.43Å; S77-H84 PolarHBondContact O-CD2 2.86Å; S77-R293 PolarHBondContact OG-NH2 3.23Å
78I94.1Very high94.2Very high0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-63.8-28.7-178.8-145.2-178.5000112.4N74 C76 H84 I86 K189 L190 A194 M301N74-I78 VanDerWaalsContact O-CB 3.3Å; N74-I78 WeakPolarHBondContact O-CB 3.47Å; N74-I78 WeakPolarHBondContact O-CG2 3.46Å; N74-I78 PolarHBondContact O-N 3.39Å; C76-I78 PolarHBondContact O-N 3.05Å; I78-H84 HydrophobicContact CG1-CB 3.74Å; I78-I86 HydrophobicContact CB-CD1 4.26Å; I78-I86 HydrophobicContact CD1-CD1 3.49Å; I78-I86 VanDerWaalsContact CD1-CD1 3.49Å; I78-I86 HydrophobicContact CD1-CG1 4.36Å; I78-I86 HydrophobicContact CG1-CD1 3.48Å; I78-I86 VanDerWaalsContact CG1-CD1 3.48Å; I78-I86 HydrophobicContact CG1-CG1 3.88Å; I78-I86 HydrophobicContact CG2-CD1 4.06Å; I78-I86 VanDerWaalsContact O-CG1 3.24Å; I78-I86 WeakPolarHBondContact O-CG1 3.48Å; I78-K189 HydrophobicContact CD1-CB 4.42Å; I78-K189 HydrophobicContact CD1-CD 4.44Å; I78-K189 HydrophobicContact CD1-CG 3.94Å; I78-L190 HydrophobicContact CD1-CB 4.26Å; I78-L190 HydrophobicContact CG2-CD1 4.26Å; I78-A194 HydrophobicContact CB-CB 4.47Å; I78-A194 HydrophobicContact CD1-CB 4.38Å; I78-A194 HydrophobicContact CG2-CB 3.75Å; I78-M301 HydrophobicContact CB-CE 3.98Å; I78-M301 HydrophobicContact CD1-CE 4.47Å; I78-M301 HydrophobicContact CD1-SD 4.48Å; I78-M301 HydrophobicContact CG1-CE 4.27Å; I78-M301 HydrophobicContact CG1-SD 4.49Å
79R94.9Very high94.2Very high22 Ų2232 Ų328%0.08318%0.178CC..Hα-helixtrans-76-36.5178.5-71.4170.1171.7-99.9-5.1113F75 C76 S77 Y90 E148F75-R79 VanDerWaalsContact CE1-NE 3.26Å; F75-R79 WeakPolarHBondContact O-CD 3.39Å; F75-R79 WeakPolarHBondContact O-CG 3.47Å; C76-R79 WeakPolarHBondContact O-CB 3.03Å; C76-R79 PolarHBondContact O-N 3.23Å; S77-R79 PolarHBondContact O-N 3.26Å; R79-Y90 HydrophobicContact CB-CD1 4.4Å; R79-Y90 HydrophobicContact CB-CD2 3.99Å; R79-Y90 HydrophobicContact CB-CE2 4.18Å; R79-Y90 HydrophobicContact CB-CG 4.08Å; R79-Y90 HydrophobicContact CG-CD1 3.7Å; R79-Y90 HydrophobicContact CG-CD2 3.8Å; R79-Y90 HydrophobicContact CG-CE1 3.54Å; R79-Y90 HydrophobicContact CG-CE2 3.59Å; R79-Y90 HydrophobicContact CG-CG 3.83Å; R79-Y90 VanDerWaalsContact CG-CZ 3.44Å; R79-Y90 VanDerWaalsContact NH1-CD1 3.3Å; R79-E148 IonicContact CZ-OE1 2.62Å; R79-E148 IonicContact NH1-OE1 3.91Å; R79-E148 PolarHBondContact NH1-OE1 3.14Å; R79-E148 IonicContact NH2-OE1 3.7Å; R79-E148 PolarHBondContact NH2-OE1 3.35Å
80C95.8Very high94.2Very high46 Ų4631.7 Ų31.731%0.31118%0.175SC..Hα-helixtrans-106-22.8-167.1-62.80000114.2C76 S77 V288C76-C80 PolarHBondContact O-N 3.36Å; C76-C80 VanDerWaalsContact O-N 3.14Å; C76-C80 PolarHBondContact O-SG 3.24Å; S77-C80 PolarHBondContact O-N 2.68Å; C80-V288 HydrophobicContact CB-CB 3.77Å; C80-V288 HydrophobicContact CB-CG2 3.8Å
81L93.7Very high94.2Very high22 Ų2234 Ų3412%0.11519%0.185CC..  trans-104119.4-171.8-52.8177.9000112S77 K83 H84 T87 V288 E290S77-L81 WeakPolarHBondContact O-CB 3.29Å; S77-L81 WeakPolarHBondContact O-CG 3.32Å; S77-L81 PolarHBondContact O-N 3.43Å; L81-K83 HydrophobicContact CB-CG 4.11Å; L81-K83 PolarHBondContact O-N 2.89Å; L81-K83 VanDerWaalsContact O-N 3.12Å; L81-H84 PolarHBondContact O-N 3.35Å; L81-T87 WeakPolarHBondContact O-CG2 3.38Å; L81-V288 HydrophobicContact CD1-CG1 4.26Å; L81-V288 HydrophobicContact CD2-CB 4.26Å; L81-V288 HydrophobicContact CD2-CG1 4.01Å; L81-V288 HydrophobicContact CG-CG1 4.29Å; L81-E290 HydrophobicContact CD1-CG 4.4Å; L81-E290 VanDerWaalsContact CD1-OE2 3.26Å; L81-E290 WeakPolarHBondContact CD1-OE2 3.26Å; L81-E290 HydrophobicContact CD2-CB 4.09Å
82S91.5Very high94.2Very high98 Ų9836.4 Ų36.469%0.68520%0.195SC*.G310 helixtrans-57.2-29.5-177.157.90000113.8H84 G85S82-H84 PolarHBondContact O-N 2.93Å; S82-G85 PolarHBondContact O-N 3.02Å
83K89.1Confident94.2Very high134 Ų13437.8 Ų37.858%0.58320%0.203SC*.G310 helixtrans-55.7-15.8175.170.3179.6173.8-171.60114.2L81 E290L81-K83 HydrophobicContact CB-CG 4.11Å; L81-K83 PolarHBondContact O-N 2.89Å; L81-K83 VanDerWaalsContact O-N 3.12Å; K83-E290 IonicContact NZ-OE1 3.94Å; K83-E290 PolarHBondContact NZ-OE1 3.25Å
84H88.7Confident94.1Very high23 Ų2345.6 Ų45.611%0.10624%0.237CC..G310 helixtrans-95.5-4.9177.3-61.3-43.9000114.4S77 I78 L81 S82 I86 S186 K189S77-H84 PolarHBondContact O-CD2 2.86Å; I78-H84 HydrophobicContact CG1-CB 3.74Å; L81-H84 PolarHBondContact O-N 3.35Å; S82-H84 PolarHBondContact O-N 2.93Å; H84-I86 VanDerWaalsContact C-N 3.27Å; H84-I86 PolarHBondContact O-N 3.38Å; H84-S186 PolarHBondContact O-OG 3.44Å; H84-K189 PolarHBondContact ND1-NZ 3.33Å
85G88Confident94.2Very high56 Ų5647.5 Ų47.558%0.57725%0.247SC*.SBendtrans71.111.2169.900000116.1S82S82-G85 PolarHBondContact O-N 3.02Å
86I92.7Very high94.2Very high0 Ų053.3 Ų53.30%028%0.283CS..  trans-130.69.1-176.969.2170.7000115.1I78 H84 E88 W89 Y90 S186 L190I78-I86 HydrophobicContact CB-CD1 4.26Å; I78-I86 HydrophobicContact CD1-CD1 3.49Å; I78-I86 VanDerWaalsContact CD1-CD1 3.49Å; I78-I86 HydrophobicContact CD1-CG1 4.36Å; I78-I86 HydrophobicContact CG1-CD1 3.48Å; I78-I86 VanDerWaalsContact CG1-CD1 3.48Å; I78-I86 HydrophobicContact CG1-CG1 3.88Å; I78-I86 HydrophobicContact CG2-CD1 4.06Å; I78-I86 VanDerWaalsContact O-CG1 3.24Å; I78-I86 WeakPolarHBondContact O-CG1 3.48Å; H84-I86 VanDerWaalsContact C-N 3.27Å; H84-I86 PolarHBondContact O-N 3.38Å; I86-E88 PolarHBondContact O-N 3.49Å; I86-E88 VanDerWaalsContact O-N 3.16Å; I86-W89 HydrophobicContact CB-CD2 3.73Å; I86-W89 HydrophobicContact CB-CE3 3.64Å; I86-W89 HydrophobicContact CB-CG 4.18Å; I86-W89 HydrophobicContact CB-CZ3 4.07Å; I86-W89 HydrophobicContact CD1-CE3 4.22Å; I86-W89 HydrophobicContact CD1-CZ3 4.47Å; I86-W89 HydrophobicContact CG2-CD2 3.87Å; I86-W89 HydrophobicContact CG2-CE3 3.61Å; I86-W89 HydrophobicContact CG2-CH2 3.66Å; I86-W89 HydrophobicContact CG2-CZ2 3.93Å; I86-W89 HydrophobicContact CG2-CZ3 3.5Å; I86-W89 VanDerWaalsContact CG2-CZ3 3.5Å; I86-W89 WeakPolarHBondContact O-CB 3.11Å; I86-W89 PolarHBondContact O-N 3.46Å; I86-Y90 HydrophobicContact CD1-CE2 3.76Å; I86-Y90 HydrophobicContact CG1-CE2 4Å; I86-Y90 WeakPolarHBondContact O-CD2 3.47Å; I86-S186 VanDerWaalsContact CG2-OG 3.23Å; I86-S186 WeakPolarHBondContact CG2-OG 3.35Å; I86-L190 HydrophobicContact CD1-CB 4.25Å; I86-L190 HydrophobicContact CD1-CD2 4.42Å
87T94.9Very high94.3Very high29 Ų2956.4 Ų56.418%0.17830%0.3CS..G310 helixtrans-56.2-3418050.60000112.1L81 W89 Y90L81-T87 WeakPolarHBondContact O-CG2 3.38Å; T87-W89 PolarHBondContact O-N 2.84Å; T87-Y90 PolarHBondContact O-N 3.28Å
88E95.1Very high94.4Very high82 Ų8260.8 Ų60.838%0.38333%0.328SS..G310 helixtrans-63.8-25176.2-56.5-52.9114.200113.2I86 Y90 K91 T137I86-E88 PolarHBondContact O-N 3.49Å; I86-E88 VanDerWaalsContact O-N 3.16Å; E88-Y90 PolarHBondContact O-N 3.04Å; E88-K91 PolarHBondContact O-N 3.49Å; E88-K91 WeakPolarHBondContact OE1-CE 3.38Å; E88-K91 IonicContact OE1-NZ 3.26Å; E88-K91 PolarHBondContact OE1-NZ 3.06Å; E88-K91 VanDerWaalsContact OE2-CD 3.29Å; E88-K91 WeakPolarHBondContact OE2-CD 3.43Å; E88-K91 VanDerWaalsContact OE2-CE 3.28Å; E88-K91 WeakPolarHBondContact OE2-CE 3.45Å; E88-K91 IonicContact OE2-NZ 3.84Å; E88-K91 PolarHBondContact OE2-NZ 2.96Å; E88-T137 HydrophobicContact CB-CG2 3.58Å
89W95.8Very high94.5Very high10 Ų1061.7 Ų61.74%0.03833%0.333CS..G310 helixtrans-75.3-1175.6-53.1-8.9000112.9I86 T87 Y92 R140 A141 N144 T183 S187 L190I86-W89 HydrophobicContact CB-CD2 3.73Å; I86-W89 HydrophobicContact CB-CE3 3.64Å; I86-W89 HydrophobicContact CB-CG 4.18Å; I86-W89 HydrophobicContact CB-CZ3 4.07Å; I86-W89 HydrophobicContact CD1-CE3 4.22Å; I86-W89 HydrophobicContact CD1-CZ3 4.47Å; I86-W89 HydrophobicContact CG2-CD2 3.87Å; I86-W89 HydrophobicContact CG2-CE3 3.61Å; I86-W89 HydrophobicContact CG2-CH2 3.66Å; I86-W89 HydrophobicContact CG2-CZ2 3.93Å; I86-W89 HydrophobicContact CG2-CZ3 3.5Å; I86-W89 VanDerWaalsContact CG2-CZ3 3.5Å; I86-W89 WeakPolarHBondContact O-CB 3.11Å; I86-W89 PolarHBondContact O-N 3.46Å; T87-W89 PolarHBondContact O-N 2.84Å; W89-Y92 WeakPolarHBondContact O-CE1 3.49Å; W89-R140 HydrophobicContact CB-CB 4.17Å; W89-R140 HydrophobicContact CD2-CB 3.81Å; W89-R140 HydrophobicContact CD2-CG 4.15Å; W89-R140 HydrophobicContact CE3-CB 4.43Å; W89-R140 HydrophobicContact CG-CB 3.66Å; W89-R140 HydrophobicContact CG-CG 4.44Å; W89-R140 HydrophobicContact CZ2-CG 4.27Å; W89-A141 WeakPolarHBondContact O-CA 3.3Å; W89-N144 WeakPolarHBondContact CB-ND2 3.46Å; W89-N144 PolarHBondContact O-ND2 2.97Å; W89-T183 WeakPolarHBondContact CH2-O 3.23Å; W89-T183 HydrophobicContact CZ2-CG2 4.35Å; W89-S187 VanDerWaalsContact CH2-OG 3.31Å; W89-S187 WeakPolarHBondContact CH2-OG 3.41Å; W89-L190 HydrophobicContact CE3-CD2 4.45Å
90Y95.6Very high94.7Very high30 Ų3060.7 Ų60.712%0.11833%0.329CS..G310 helixtrans-1175.1175.9-62.5-77.1000112.5R79 I86 T87 E88 Y92 N144 L190R79-Y90 HydrophobicContact CB-CD1 4.4Å; R79-Y90 HydrophobicContact CB-CD2 3.99Å; R79-Y90 HydrophobicContact CB-CE2 4.18Å; R79-Y90 HydrophobicContact CB-CG 4.08Å; R79-Y90 HydrophobicContact CG-CD1 3.7Å; R79-Y90 HydrophobicContact CG-CD2 3.8Å; R79-Y90 HydrophobicContact CG-CE1 3.54Å; R79-Y90 HydrophobicContact CG-CE2 3.59Å; R79-Y90 HydrophobicContact CG-CG 3.83Å; R79-Y90 VanDerWaalsContact CG-CZ 3.44Å; R79-Y90 VanDerWaalsContact NH1-CD1 3.3Å; I86-Y90 HydrophobicContact CD1-CE2 3.76Å; I86-Y90 HydrophobicContact CG1-CE2 4Å; I86-Y90 WeakPolarHBondContact O-CD2 3.47Å; T87-Y90 PolarHBondContact O-N 3.28Å; E88-Y90 PolarHBondContact O-N 3.04Å; Y90-Y92 HydrophobicContact CD1-CE1 4.37Å; Y90-Y92 AromaticContact CD1-CZ 3.97Å; Y90-Y92 WeakPolarHBondContact CD1-OH 3.43Å; Y90-Y92 PolarHBondContact O-N 2.92Å; Y90-N144 HydrophobicContact CE1-CB 4.4Å; Y90-L190 WeakPolarHBondContact OH-CD1 3.11Å
91K95.1Very high94.8Very high132 Ų13260.8 Ų60.857%0.57433%0.326SS*.  trans-85.187.6168-66.1-172.5-174.1167.90109E88E88-K91 PolarHBondContact O-N 3.49Å; E88-K91 WeakPolarHBondContact OE1-CE 3.38Å; E88-K91 IonicContact OE1-NZ 3.26Å; E88-K91 PolarHBondContact OE1-NZ 3.06Å; E88-K91 VanDerWaalsContact OE2-CD 3.29Å; E88-K91 WeakPolarHBondContact OE2-CD 3.43Å; E88-K91 VanDerWaalsContact OE2-CE 3.28Å; E88-K91 WeakPolarHBondContact OE2-CE 3.45Å; E88-K91 IonicContact OE2-NZ 3.84Å; E88-K91 PolarHBondContact OE2-NZ 2.96Å
92Y96.3Very high95Very high72 Ų7262.8 Ų62.828%0.28234%0.339SS..PPolyproline II helixtrans-77.5134.9-174.7-61-28000112.6W89 Y90 A141 N144 M145 E148W89-Y92 WeakPolarHBondContact O-CE1 3.49Å; Y90-Y92 HydrophobicContact CD1-CE1 4.37Å; Y90-Y92 AromaticContact CD1-CZ 3.97Å; Y90-Y92 WeakPolarHBondContact CD1-OH 3.43Å; Y90-Y92 PolarHBondContact O-N 2.92Å; Y92-A141 HydrophobicContact CD1-CB 4.24Å; Y92-A141 WeakPolarHBondContact CE1-O 3.34Å; Y92-N144 HydrophobicContact CE1-CB 4.01Å; Y92-M145 HydrophobicContact CD1-CG 3.42Å; Y92-M145 VanDerWaalsContact CD1-CG 3.42Å; Y92-M145 HydrophobicContact CD1-SD 3.95Å; Y92-M145 HydrophobicContact CD2-CG 3.76Å; Y92-M145 HydrophobicContact CD2-SD 4.41Å; Y92-M145 HydrophobicContact CE1-CG 3.68Å; Y92-M145 HydrophobicContact CE2-CG 3.99Å; Y92-M145 HydrophobicContact CG-CG 3.48Å; Y92-M145 VanDerWaalsContact CG-CG 3.48Å; Y92-M145 HydrophobicContact CG-SD 3.76Å; Y92-E148 WeakPolarHBondContact CE2-OE2 3.22Å; Y92-E148 VanDerWaalsContact OH-CD 3.24Å; Y92-E148 PolarHBondContact OH-OE1 2.67Å; Y92-E148 PolarHBondContact OH-OE2 3.02Å
93P96.4Very high95.4Very high28 Ų2858.2 Ų58.218%0.18231%0.307CS..PPolyproline II helixtrans-65.7155.2169.529.8-34.4000110.2D97 I99 V100 L142 M145P93-D97 HydrophobicContact CB-CB 3.93Å; P93-I99 HydrophobicContact CB-CG2 3.87Å; P93-I99 HydrophobicContact CG-CG2 4Å; P93-V100 HydrophobicContact CB-CG2 4.24Å; P93-V100 HydrophobicContact CG-CG2 3.86Å; P93-L142 HydrophobicContact CG-CD2 3.7Å; P93-L142 HydrophobicContact CG-CG 4.25Å; P93-M145 HydrophobicContact CG-SD 4.41Å
94K95.8Very high95.8Very high165 Ų16552.1 Ų52.172%0.71728%0.281SS*.PPolyproline II helixtrans-65.3150.8170.5-67.3-178.1-179.61780109.3T96 D97 V100K94-T96 PolarHBondContact O-N 3.39Å; K94-D97 WeakPolarHBondContact O-CB 3.38Å; K94-D97 PolarHBondContact O-N 2.84Å; K94-V100 WeakPolarHBondContact O-CG2 3.41Å
95L96.4Very high96.3Very high44 Ų4455.6 Ų55.623%0.2330%0.3CS..THydrogen-bonded Turntrans-57.7-26.8179.8-165.464.5000113.8V100 F273 K274L95-V100 HydrophobicContact CD1-CG1 4.35Å; L95-F273 HydrophobicContact CD1-CD1 4.19Å; L95-F273 HydrophobicContact CD1-CE1 3.93Å; L95-K274 HydrophobicContact CD1-CD 3.73Å; L95-K274 HydrophobicContact CD2-CD 4.23Å; L95-K274 HydrophobicContact CG-CD 3.84Å; L95-K274 PolarHBondContact O-NZ 2.74Å
96T96.5Very high96.8Very high123 Ų12354.4 Ų54.476%0.75529%0.285SS*.THydrogen-bonded Turntrans-82.7-7.5178.156.40000114K94K94-T96 PolarHBondContact O-N 3.39Å
97D97.7Very high97Very high65 Ų6554.5 Ų54.535%0.34829%0.286SS..SBendtrans-69.5126.8177.1-169.6-38.3000109.6P93 K94 I99 V100P93-D97 HydrophobicContact CB-CB 3.93Å; K94-D97 WeakPolarHBondContact O-CB 3.38Å; K94-D97 PolarHBondContact O-N 2.84Å; D97-I99 HydrophobicContact CB-CG2 4.15Å; D97-I99 PolarHBondContact O-N 3.01Å; D97-I99 WeakPolarHBondContact OD1-CB 3.31Å; D97-I99 VanDerWaalsContact OD1-CG2 3.24Å; D97-I99 WeakPolarHBondContact OD1-CG2 3.27Å; D97-I99 PolarHBondContact OD1-N 2.81Å; D97-V100 HydrophobicContact CB-CG2 4.35Å; D97-V100 WeakPolarHBondContact O-CB 3.5Å; D97-V100 WeakPolarHBondContact O-CG2 3.42Å; D97-V100 PolarHBondContact O-N 2.83Å
98P97.7Very high97.2Very high95 Ų9553.2 Ų53.262%0.61728%0.278SS*.Hα-helixtrans-53.6-27.5179.2-27.335.1000114.2V100 D101 V102P98-V100 PolarHBondContact O-N 2.81Å; P98-D101 PolarHBondContact O-N 3.18Å; P98-V102 PolarHBondContact O-N 3.45Å
99I97.7Very high97.3Very high20 Ų2050 Ų5010%0.10326%0.264CS..Hα-helixtrans-61.3-27.6178.7-158.961.3000112.7P93 D97 V102 Y103 L133 L134 L142P93-I99 HydrophobicContact CB-CG2 3.87Å; P93-I99 HydrophobicContact CG-CG2 4Å; D97-I99 HydrophobicContact CB-CG2 4.15Å; D97-I99 PolarHBondContact O-N 3.01Å; D97-I99 WeakPolarHBondContact OD1-CB 3.31Å; D97-I99 VanDerWaalsContact OD1-CG2 3.24Å; D97-I99 WeakPolarHBondContact OD1-CG2 3.27Å; D97-I99 PolarHBondContact OD1-N 2.81Å; I99-V102 HydrophobicContact CD1-CB 4.32Å; I99-V102 HydrophobicContact CD1-CG1 4.41Å; I99-V102 PolarHBondContact O-N 3.41Å; I99-Y103 PolarHBondContact O-N 3.48Å; I99-L133 WeakPolarHBondContact CD1-O 3.32Å; I99-L134 HydrophobicContact CD1-CB 4.47Å; I99-L134 HydrophobicContact CD1-CD1 3.47Å; I99-L134 VanDerWaalsContact CD1-CD1 3.47Å; I99-L134 HydrophobicContact CG1-CD1 3.42Å; I99-L134 VanDerWaalsContact CG1-CD1 3.42Å; I99-L142 HydrophobicContact CG1-CD1 4.42Å; I99-L142 HydrophobicContact CG2-CD1 4.45Å
100V98.3Very high97.5Very high0 Ų049.6 Ų49.60%026%0.262CS..Hα-helixtrans-64.3-44.9175.7178.30000109.9P93 K94 L95 D97 P98 Y103 L104 L142 F273P93-V100 HydrophobicContact CB-CG2 4.24Å; P93-V100 HydrophobicContact CG-CG2 3.86Å; K94-V100 WeakPolarHBondContact O-CG2 3.41Å; L95-V100 HydrophobicContact CD1-CG1 4.35Å; D97-V100 HydrophobicContact CB-CG2 4.35Å; D97-V100 WeakPolarHBondContact O-CB 3.5Å; D97-V100 WeakPolarHBondContact O-CG2 3.42Å; D97-V100 PolarHBondContact O-N 2.83Å; P98-V100 PolarHBondContact O-N 2.81Å; V100-Y103 PolarHBondContact O-N 2.88Å; V100-L104 HydrophobicContact CG1-CD1 3.74Å; V100-L104 HydrophobicContact CG1-CG 4.36Å; V100-L104 WeakPolarHBondContact O-CB 3.34Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.28Å; V100-L104 PolarHBondContact O-N 2.81Å; V100-L142 HydrophobicContact CB-CD2 4.49Å; V100-L142 HydrophobicContact CG2-CD2 4.04Å; V100-F273 HydrophobicContact CG1-CD1 4.39Å; V100-F273 HydrophobicContact CG1-CE1 3.81Å
101D98.3Very high97.6Very high49 Ų4949.1 Ų49.126%0.26226%0.263SS..Hα-helixtrans-71.4-37.7179-69.2-51.2000111.3P98 Y103 L104 D105 K270 K274P98-D101 PolarHBondContact O-N 3.18Å; D101-Y103 VanDerWaalsContact C-N 3.29Å; D101-Y103 PolarHBondContact O-N 3.46Å; D101-L104 PolarHBondContact O-N 2.88Å; D101-D105 VanDerWaalsContact O-CB 3.24Å; D101-D105 WeakPolarHBondContact O-CB 3.29Å; D101-D105 VanDerWaalsContact O-CG 3.26Å; D101-D105 PolarHBondContact O-N 2.78Å; D101-K270 WeakPolarHBondContact OD1-CE 3.48Å; D101-K270 IonicContact OD1-NZ 2.72Å; D101-K270 PolarHBondContact OD1-NZ 3.43Å; D101-K274 VanDerWaalsContact CG-NZ 3.29Å; D101-K274 WeakPolarHBondContact OD1-CE 3.44Å; D101-K274 IonicContact OD1-NZ 2.73Å; D101-K274 PolarHBondContact OD1-NZ 2.96Å; D101-K274 IonicContact OD2-NZ 2.71Å; D101-K274 PolarHBondContact OD2-NZ 2.89Å
102V98.3Very high97.7Very high64 Ų6443.4 Ų43.439%0.38824%0.238SC..Hα-helixtrans-54.5-44.91711730000111.5P98 I99 A106 L133P98-V102 PolarHBondContact O-N 3.45Å; I99-V102 HydrophobicContact CD1-CB 4.32Å; I99-V102 HydrophobicContact CD1-CG1 4.41Å; I99-V102 PolarHBondContact O-N 3.41Å; V102-A106 VanDerWaalsContact O-CB 3.32Å; V102-A106 WeakPolarHBondContact O-CB 3.49Å; V102-A106 PolarHBondContact O-N 3.09Å; V102-L133 HydrophobicContact CG1-CB 4.44Å
103Y98.6Very high97.8Very high2 Ų240.9 Ų40.91%0.00823%0.234CC..Hα-helixtrans-67.6-47.9177.2167-94.4000113.1I99 V100 D101 A106 G107 I108 L134 L142 N143 N146I99-Y103 PolarHBondContact O-N 3.48Å; V100-Y103 PolarHBondContact O-N 2.88Å; D101-Y103 VanDerWaalsContact C-N 3.29Å; D101-Y103 PolarHBondContact O-N 3.46Å; Y103-A106 PolarHBondContact O-N 2.89Å; Y103-G107 PolarHBondContact O-N 3.06Å; Y103-I108 HydrophobicContact CD2-CB 4.47Å; Y103-I108 HydrophobicContact CD2-CD1 3.84Å; Y103-I108 HydrophobicContact CE2-CB 4.11Å; Y103-I108 HydrophobicContact CE2-CD1 4.27Å; Y103-I108 HydrophobicContact CE2-CG2 4.49Å; Y103-L134 HydrophobicContact CD2-CD2 3.91Å; Y103-L142 VanDerWaalsContact CB-CD1 3.44Å; Y103-L142 HydrophobicContact CD1-CB 3.75Å; Y103-L142 HydrophobicContact CD1-CD1 4.41Å; Y103-L142 HydrophobicContact CD1-CD2 4.43Å; Y103-L142 HydrophobicContact CD1-CG 4.41Å; Y103-L142 HydrophobicContact CD2-CB 3.62Å; Y103-L142 HydrophobicContact CD2-CD1 4.19Å; Y103-L142 HydrophobicContact CE1-CB 3.96Å; Y103-L142 HydrophobicContact CE2-CB 3.82Å; Y103-L142 HydrophobicContact CG-CB 3.59Å; Y103-L142 HydrophobicContact CG-CD1 3.77Å; Y103-L142 HydrophobicContact CG-CG 4.16Å; Y103-N143 VanDerWaalsContact CE2-OD1 3.23Å; Y103-N143 WeakPolarHBondContact CE2-OD1 3.23Å; Y103-N143 PolarHBondContact OH-OD1 2.91Å; Y103-N146 HydrophobicContact CE1-CB 4.31Å; Y103-N146 WeakPolarHBondContact OH-CB 3.24Å; Y103-N146 PolarHBondContact OH-ND2 3.44Å; Y103-N146 VanDerWaalsContact OH-ND2 3.14Å
104L98.4Very high97.9Very high6 Ų642 Ų423%0.03124%0.238CC..Hα-helixtrans-67.5-42.4-176.2-68.4171.2000111.2V100 D101 A106 G107 I266 K270 F273 K274V100-L104 HydrophobicContact CG1-CD1 3.74Å; V100-L104 HydrophobicContact CG1-CG 4.36Å; V100-L104 WeakPolarHBondContact O-CB 3.34Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.28Å; V100-L104 PolarHBondContact O-N 2.81Å; D101-L104 PolarHBondContact O-N 2.88Å; L104-A106 VanDerWaalsContact C-N 3.31Å; L104-A106 PolarHBondContact O-N 2.89Å; L104-G107 PolarHBondContact O-N 3.46Å; L104-I266 VanDerWaalsContact O-CG2 3.29Å; L104-I266 WeakPolarHBondContact O-CG2 3.29Å; L104-K270 HydrophobicContact CB-CB 4.08Å; L104-K270 HydrophobicContact CB-CD 4.17Å; L104-K270 HydrophobicContact CB-CG 3.91Å; L104-K270 HydrophobicContact CD1-CB 4.45Å; L104-K270 HydrophobicContact CD1-CG 3.91Å; L104-K270 HydrophobicContact CG-CG 4.48Å; L104-F273 HydrophobicContact CD1-CB 4.22Å; L104-F273 HydrophobicContact CD1-CD1 3.67Å; L104-F273 HydrophobicContact CD1-CE1 4.27Å; L104-F273 HydrophobicContact CD1-CG 4.05Å; L104-F273 HydrophobicContact CD2-CB 3.84Å; L104-F273 HydrophobicContact CD2-CD1 4.1Å; L104-F273 HydrophobicContact CD2-CD2 3.92Å; L104-F273 HydrophobicContact CD2-CE2 4.49Å; L104-F273 HydrophobicContact CD2-CG 3.69Å; L104-F273 HydrophobicContact CG-CD1 4.43Å; L104-F273 HydrophobicContact CG-CG 4.48Å; L104-K274 HydrophobicContact CD1-CG 4.27Å
105D98.4Very high98Very high95 Ų9534.3 Ų34.351%0.50821%0.205SC..Hα-helixtrans-69.4-29.1179.6-68.4-31.5000112.5D101 G107 K270D101-D105 VanDerWaalsContact O-CB 3.24Å; D101-D105 WeakPolarHBondContact O-CB 3.29Å; D101-D105 VanDerWaalsContact O-CG 3.26Å; D101-D105 PolarHBondContact O-N 2.78Å; D105-G107 VanDerWaalsContact C-N 3.27Å; D105-G107 PolarHBondContact O-N 2.85Å; D105-K270 WeakPolarHBondContact OD1-CD 3.3Å; D105-K270 WeakPolarHBondContact OD1-CE 3.22Å; D105-K270 IonicContact OD1-NZ 2.98Å; D105-K270 PolarHBondContact OD1-NZ 3.44Å; D105-K270 IonicContact OD2-NZ 3.58Å; D105-K270 PolarHBondContact OD2-NZ 3.17Å
106A98.3Very high98.1Very high31 Ų3137.4 Ų37.426%0.25622%0.222SC..Hα-helixtrans-64.9-31.7173.200000112.2V102 Y103 L104 I108 R125 A128V102-A106 VanDerWaalsContact O-CB 3.32Å; V102-A106 WeakPolarHBondContact O-CB 3.49Å; V102-A106 PolarHBondContact O-N 3.09Å; Y103-A106 PolarHBondContact O-N 2.89Å; L104-A106 VanDerWaalsContact C-N 3.31Å; L104-A106 PolarHBondContact O-N 2.89Å; A106-I108 HydrophobicContact CB-CD1 4.15Å; A106-I108 HydrophobicContact CB-CG1 3.88Å; A106-R125 PolarHBondContact O-NH1 3.11Å; A106-A128 VanDerWaalsContact O-CB 3.32Å; A106-A128 WeakPolarHBondContact O-CB 3.46Å
107G98.1Very high98.1Very high3 Ų334.1 Ų34.13%0.03120%0.204CC..THydrogen-bonded Turntrans6646.2-177.100000112.6Y103 L104 D105 R125Y103-G107 PolarHBondContact O-N 3.06Å; L104-G107 PolarHBondContact O-N 3.46Å; D105-G107 VanDerWaalsContact C-N 3.27Å; D105-G107 PolarHBondContact O-N 2.85Å; G107-R125 PolarHBondContact O-NH1 3.13Å
108I98.2Very high98.1Very high2 Ų231.1 Ų31.11%0.0119%0.188CC..SBendtrans-68.5-50.2-178.3-65.3167000110.8Y103 A106 L124 R125 A128 W129 L134 M139Y103-I108 HydrophobicContact CD2-CB 4.47Å; Y103-I108 HydrophobicContact CD2-CD1 3.84Å; Y103-I108 HydrophobicContact CE2-CB 4.11Å; Y103-I108 HydrophobicContact CE2-CD1 4.27Å; Y103-I108 HydrophobicContact CE2-CG2 4.49Å; A106-I108 HydrophobicContact CB-CD1 4.15Å; A106-I108 HydrophobicContact CB-CG1 3.88Å; I108-L124 HydrophobicContact CG2-CD1 4.03Å; I108-L124 CarbonylContact O-C 3.58Å; I108-L124 VanDerWaalsContact O-CA 3.29Å; I108-L124 WeakPolarHBondContact O-CA 3.36Å; I108-R125 PolarHBondContact O-N 3.33Å; I108-A128 HydrophobicContact CG1-CB 4.34Å; I108-W129 HydrophobicContact CD1-CB 3.78Å; I108-W129 HydrophobicContact CD1-CG 4.24Å; I108-W129 HydrophobicContact CG1-CB 3.96Å; I108-W129 HydrophobicContact CG2-CB 4.28Å; I108-L134 HydrophobicContact CD1-CD2 3.61Å; I108-M139 HydrophobicContact CD1-CG 4.3Å; I108-M139 HydrophobicContact CG2-CG 4.42Å
109L98.3Very high98.1Very high15 Ų1526.8 Ų26.88%0.07916%0.16CC..EExtended strand (participates in β ladder)trans-125.8117.8175.7-179.570.4000107.8F122 I123 L124 N143 N146L109-F122 HydrophobicContact CD1-CB 3.84Å; L109-F122 HydrophobicContact CD1-CD1 4.37Å; L109-F122 HydrophobicContact CD1-CG 4.36Å; L109-F122 HydrophobicContact CG-CD1 4.36Å; L109-I123 CarbonylContact C-O 3.58Å; L109-I123 WeakPolarHBondContact CA-O 3.27Å; L109-L124 HydrophobicContact CD1-CB 4.24Å; L109-L124 HydrophobicContact CD1-CD1 4.45Å; L109-N143 WeakPolarHBondContact CB-OD1 3.4Å; L109-N143 HydrophobicContact CD2-CB 4.42Å; L109-N146 HydrophobicContact CD2-CB 4.42Å; L109-N146 PolarHBondContact O-ND2 3.19Å
110V98.4Very high98.1Very high1 Ų126.4 Ų26.41%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-129.2126.1-173.4-175.20000109.2F122 I123 I262 L265 I266 D269V110-F122 CarbonylContact O-C 3.48Å; V110-F122 WeakPolarHBondContact O-CA 3.34Å; V110-I123 HydrophobicContact CB-CG2 3.82Å; V110-I123 PolarHBondContact N-O 2.7Å; V110-I123 PolarHBondContact O-N 2.6Å; V110-I262 HydrophobicContact CG1-CD1 4.4Å; V110-L265 HydrophobicContact CG1-CB 4.02Å; V110-I266 HydrophobicContact CG2-CG1 3.78Å; V110-D269 HydrophobicContact CG1-CB 4.32Å
111P97.9Very high98.2Very high20 Ų2026.4 Ų26.413%0.1316%0.158CC..EExtended strand (participates in β ladder)trans-68.7133.7171.530.9-34.4000109.9F122 F150 D269P111-F122 HydrophobicContact CB-CD1 4.03Å; P111-F122 HydrophobicContact CB-CE1 3.95Å; P111-F150 HydrophobicContact CB-CE1 3.97Å; P111-F150 HydrophobicContact CB-CE2 4.27Å; P111-F150 HydrophobicContact CB-CZ 3.5Å; P111-F150 VanDerWaalsContact CB-CZ 3.5Å; P111-F150 HydrophobicContact CG-CE2 4.4Å; P111-F150 HydrophobicContact CG-CZ 3.74Å; P111-D269 VanDerWaalsContact CD-OD1 3.23Å; P111-D269 WeakPolarHBondContact CD-OD1 3.29Å; P111-D269 WeakPolarHBondContact CD-OD2 3.42Å; P111-D269 HydrophobicContact CG-CB 4.23Å; P111-D269 WeakPolarHBondContact CG-OD1 3.27Å
112L98.4Very high98.2Very high11 Ų1124 Ų246%0.05815%0.145CC..EExtended strand (participates in β ladder)trans-102-37.6-178.8-67.2-173.7000112.7I121 I123 I250 M251 P252 N259 I262 L265L112-I121 WeakPolarHBondContact CB-O 3.32Å; L112-I121 HydrophobicContact CD1-CG2 4.17Å; L112-I121 PolarHBondContact N-O 3.02Å; L112-I123 HydrophobicContact CD1-CB 3.93Å; L112-I123 HydrophobicContact CD1-CG2 4.24Å; L112-I123 HydrophobicContact CD2-CB 4.32Å; L112-I123 HydrophobicContact CD2-CG2 3.7Å; L112-I123 HydrophobicContact CG-CB 4.15Å; L112-I123 HydrophobicContact CG-CG2 4Å; L112-I250 HydrophobicContact CB-CD1 4.37Å; L112-M251 HydrophobicContact CD1-CE 4.38Å; L112-M251 HydrophobicContact CD1-CG 4.42Å; L112-M251 HydrophobicContact CD1-SD 3.26Å; L112-M251 WeakPolarHBondContact CD1-SD 3.4Å; L112-P252 HydrophobicContact CD2-CG 3.9Å; L112-N259 PolarHBondContact O-ND2 3.28Å; L112-N259 VanDerWaalsContact O-ND2 3.09Å; L112-I262 HydrophobicContact CD2-CD1 4.48Å; L112-L265 HydrophobicContact CD2-CD1 3.65Å
113G97.7Very high98.2Very high20 Ų2021 Ų2121%0.20613%0.127CC..EExtended strand (participates in β ladder)trans144.7-162.3-176.500000112.4H120 I121G113-H120 CarbonylContact O-C 3.55Å; G113-H120 WeakPolarHBondContact O-CA 3.14Å; G113-I121 PolarHBondContact O-N 2.79Å
114I98Very high98.2Very high51 Ų5121.3 Ų21.326%0.26213%0.129SC..EExtended strand (participates in β ladder)trans-117.3129.6-175.6-70.4161.4000108.6Y13 V119 H120 R155Y13-I114 WeakPolarHBondContact OH-CG2 3.49Å; I114-V119 WeakPolarHBondContact CA-O 3.14Å; I114-H120 HydrophobicContact CG1-CB 4.36Å; I114-R155 HydrophobicContact CD1-CB 4.3Å
115V98.4Very high98.1Very high3 Ų323.7 Ų23.72%0.01814%0.137CC..  trans-85.4169174-64.70000111.6S117 G118 V119 I121 I244 P245 L247 I250V115-S117 WeakPolarHBondContact CG2-OG 3.32Å; V115-S117 PolarHBondContact O-N 2.8Å; V115-G118 WeakPolarHBondContact O-CA 3.32Å; V115-G118 PolarHBondContact O-N 2.93Å; V115-V119 HydrophobicContact CG2-CB 3.77Å; V115-V119 WeakPolarHBondContact CG2-O 3.23Å; V115-V119 PolarHBondContact N-O 3.18Å; V115-I121 HydrophobicContact CG1-CD1 4.46Å; V115-I121 HydrophobicContact CG1-CG1 3.69Å; V115-I121 HydrophobicContact CG2-CD1 4.5Å; V115-I121 HydrophobicContact CG2-CG1 4.4Å; V115-I244 HydrophobicContact CB-CG2 4.16Å; V115-I244 HydrophobicContact CG1-CG2 4Å; V115-I244 HydrophobicContact CG2-CG2 3.97Å; V115-P245 WeakPolarHBondContact CB-O 3.38Å; V115-L247 HydrophobicContact CG1-CB 4.08Å; V115-L247 HydrophobicContact CG1-CD1 4.07Å; V115-I250 HydrophobicContact CG1-CD1 3.49Å; V115-I250 VanDerWaalsContact CG1-CD1 3.49Å; V115-I250 HydrophobicContact CG1-CG1 4.15Å
116D98.3Very high98.1Very high109 Ų10919.2 Ų19.258%0.58311%0.113SC*.THydrogen-bonded Turntrans-55.7-29.4-173.6-60-9.3000113.9F12 G118 P245 G246F12-D116 WeakPolarHBondContact CZ-O 3.42Å; D116-G118 PolarHBondContact O-N 2.9Å; D116-P245 HydrophobicContact CB-CB 4.24Å; D116-P245 PolarHBondContact N-O 2.88Å; D116-P245 WeakPolarHBondContact OD2-CB 3.13Å; D116-G246 WeakPolarHBondContact OD1-CA 3.25Å; D116-G246 PolarHBondContact OD2-N 3.31Å
117S97.6Very high98Very high55 Ų5523.8 Ų23.839%0.38513%0.127SC..THydrogen-bonded Turntrans-74.3-1175.6600000114.4V115 V119V115-S117 WeakPolarHBondContact CG2-OG 3.32Å; V115-S117 PolarHBondContact O-N 2.8Å; S117-V119 VanDerWaalsContact C-N 3.34Å; S117-V119 WeakPolarHBondContact OG-CG2 3.31Å
118G97.5Very high98Very high1 Ų124.6 Ų24.61%0.0113%0.133CC..SBendtrans84.81.6-178.300000114.8Y13 V115 D116Y13-G118 PolarHBondContact OH-O 3.31Å; V115-G118 WeakPolarHBondContact O-CA 3.32Å; V115-G118 PolarHBondContact O-N 2.93Å; D116-G118 PolarHBondContact O-N 2.9Å
119V98Very high98Very high5 Ų524.5 Ų24.53%0.0313%0.133CC..PPolyproline II helixtrans-78.1131.8-177.6-177.70000110.5I114 V115 S117 I121 V161 K200I114-V119 WeakPolarHBondContact CA-O 3.14Å; V115-V119 HydrophobicContact CG2-CB 3.77Å; V115-V119 WeakPolarHBondContact CG2-O 3.23Å; V115-V119 PolarHBondContact N-O 3.18Å; S117-V119 VanDerWaalsContact C-N 3.34Å; S117-V119 WeakPolarHBondContact OG-CG2 3.31Å; V119-I121 HydrophobicContact CB-CD1 4.5Å; V119-I121 HydrophobicContact CG1-CD1 3.88Å; V119-V161 VanDerWaalsContact CG1-C 3.46Å; V119-K200 HydrophobicContact CG1-CB 3.95Å; V119-K200 HydrophobicContact CG1-CG 4.17Å; V119-K200 HydrophobicContact CG2-CB 4Å; V119-K200 HydrophobicContact CG2-CG 3.83Å
120H97.7Very high97.9Very high11 Ų1129.2 Ų29.25%0.05116%0.155CC..EExtended strand (participates in β ladder)trans-81.6124173.3-160.6102.9000110.6G113 I114 F122 F150 C156 G160 V161 G162G113-H120 CarbonylContact O-C 3.55Å; G113-H120 WeakPolarHBondContact O-CA 3.14Å; I114-H120 HydrophobicContact CG1-CB 4.36Å; H120-F122 AromaticContact CD2-CE2 3.57Å; H120-F122 AromaticContact CD2-CZ 3.63Å; H120-F150 AromaticContact CE1-CD1 3.75Å; H120-F150 AromaticContact CE1-CE1 3.42Å; H120-F150 VanDerWaalsContact CE1-CE1 3.42Å; H120-F150 WeakPolarHBondContact CE1-CE1 3.35Å; H120-F150 AromaticContact NE2-CD1 3.74Å; H120-F150 AromaticContact NE2-CE1 3.34Å; H120-F150 VanDerWaalsContact NE2-CE1 3.34Å; H120-F150 WeakPolarHBondContact NE2-CE1 3.39Å; H120-C156 WeakPolarHBondContact CB-SG 3.23Å; H120-G160 PolarHBondContact N-O 3.39Å; H120-V161 CarbonylContact O-C 3.4Å; H120-V161 VanDerWaalsContact O-CA 3.23Å; H120-V161 WeakPolarHBondContact O-CA 3.31Å; H120-G162 PolarHBondContact O-N 2.92Å
121I98.4Very high97.8Very high0 Ų030.1 Ų30.10%016%0.16CC..EExtended strand (participates in β ladder)trans-102.8133.3-179-54.4-60.1000110.2L112 G113 V115 V119 G162 L247 I250L112-I121 WeakPolarHBondContact CB-O 3.32Å; L112-I121 HydrophobicContact CD1-CG2 4.17Å; L112-I121 PolarHBondContact N-O 3.02Å; G113-I121 PolarHBondContact O-N 2.79Å; V115-I121 HydrophobicContact CG1-CD1 4.46Å; V115-I121 HydrophobicContact CG1-CG1 3.69Å; V115-I121 HydrophobicContact CG2-CD1 4.5Å; V115-I121 HydrophobicContact CG2-CG1 4.4Å; V119-I121 HydrophobicContact CB-CD1 4.5Å; V119-I121 HydrophobicContact CG1-CD1 3.88Å; I121-G162 WeakPolarHBondContact CA-O 3.34Å; I121-L247 HydrophobicContact CG1-CD1 4.1Å; I121-L247 HydrophobicContact CG2-CD1 4.1Å; I121-I250 HydrophobicContact CB-CD1 3.73Å; I121-I250 HydrophobicContact CG1-CD1 3.75Å
122F98.4Very high97.6Very high0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-108.8152.9167.3-59.9-96.9000109.5L109 V110 P111 H120 F147 F150 V161 G162 I163 F164L109-F122 HydrophobicContact CD1-CB 3.84Å; L109-F122 HydrophobicContact CD1-CD1 4.37Å; L109-F122 HydrophobicContact CD1-CG 4.36Å; L109-F122 HydrophobicContact CG-CD1 4.36Å; V110-F122 CarbonylContact O-C 3.48Å; V110-F122 WeakPolarHBondContact O-CA 3.34Å; P111-F122 HydrophobicContact CB-CD1 4.03Å; P111-F122 HydrophobicContact CB-CE1 3.95Å; H120-F122 AromaticContact CD2-CE2 3.57Å; H120-F122 AromaticContact CD2-CZ 3.63Å; F122-F147 HydrophobicContact CE2-CD2 4.34Å; F122-F147 HydrophobicContact CE2-CE2 4.06Å; F122-F147 HydrophobicContact CZ-CD2 4.25Å; F122-F147 HydrophobicContact CZ-CE2 4.36Å; F122-F150 HydrophobicContact CE1-CD1 4.25Å; F122-F150 AromaticContact CE1-CD2 3.53Å; F122-F150 HydrophobicContact CE1-CD2 3.53Å; F122-F150 HydrophobicContact CE1-CE1 4.27Å; F122-F150 AromaticContact CE1-CE2 3.56Å; F122-F150 HydrophobicContact CE1-CE2 3.56Å; F122-F150 AromaticContact CE1-CG 3.91Å; F122-F150 HydrophobicContact CE1-CG 3.91Å; F122-F150 AromaticContact CE1-CZ 3.96Å; F122-F150 HydrophobicContact CE1-CZ 3.96Å; F122-F150 HydrophobicContact CZ-CB 3.85Å; F122-F150 AromaticContact CZ-CD1 3.8Å; F122-F150 HydrophobicContact CZ-CD1 3.8Å; F122-F150 AromaticContact CZ-CD2 3.54Å; F122-F150 HydrophobicContact CZ-CD2 3.54Å; F122-F150 HydrophobicContact CZ-CE1 4.23Å; F122-F150 HydrophobicContact CZ-CE2 4.01Å; F122-F150 AromaticContact CZ-CG 3.44Å; F122-F150 HydrophobicContact CZ-CG 3.44Å; F122-F150 VanDerWaalsContact CZ-CG 3.44Å; F122-F150 HydrophobicContact CZ-CZ 4.34Å; F122-V161 HydrophobicContact CE2-CB 4.15Å; F122-V161 HydrophobicContact CE2-CG1 3.96Å; F122-G162 PolarHBondContact N-O 3.28Å; F122-I163 CarbonylContact O-C 3.43Å; F122-I163 WeakPolarHBondContact O-CA 3.5Å; F122-F164 PolarHBondContact O-N 3.45Å
123I98.6Very high97.5Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-106129.2161.1-169.9168.5000110.2L109 V110 L112 R125 F164 Y255 I262L109-I123 CarbonylContact C-O 3.58Å; L109-I123 WeakPolarHBondContact CA-O 3.27Å; V110-I123 HydrophobicContact CB-CG2 3.82Å; V110-I123 PolarHBondContact N-O 2.7Å; V110-I123 PolarHBondContact O-N 2.6Å; L112-I123 HydrophobicContact CD1-CB 3.93Å; L112-I123 HydrophobicContact CD1-CG2 4.24Å; L112-I123 HydrophobicContact CD2-CB 4.32Å; L112-I123 HydrophobicContact CD2-CG2 3.7Å; L112-I123 HydrophobicContact CG-CB 4.15Å; L112-I123 HydrophobicContact CG-CG2 4Å; I123-R125 HydrophobicContact CD1-CG 4.04Å; I123-R125 HydrophobicContact CG1-CG 3.92Å; I123-F164 CarbonylContact C-O 3.51Å; I123-F164 VanDerWaalsContact CA-O 3.25Å; I123-F164 WeakPolarHBondContact CA-O 3.22Å; I123-F164 HydrophobicContact CB-CB 4.5Å; I123-F164 HydrophobicContact CD1-CD1 3.92Å; I123-F164 HydrophobicContact CD1-CE1 4.39Å; I123-F164 HydrophobicContact CG1-CB 4.37Å; I123-F164 HydrophobicContact CG1-CD1 3.94Å; I123-F164 WeakPolarHBondContact CG1-O 3.34Å; I123-Y255 HydrophobicContact CD1-CD1 4.22Å; I123-Y255 HydrophobicContact CD1-CD2 4.13Å; I123-Y255 HydrophobicContact CD1-CE1 3.66Å; I123-Y255 HydrophobicContact CD1-CE2 3.57Å; I123-Y255 HydrophobicContact CD1-CG 4.43Å; I123-Y255 WeakPolarHBondContact CD1-OH 3.49Å; I123-I262 HydrophobicContact CG2-CD1 3.95Å
124L98.2Very high97.5Very high9 Ų939.2 Ų39.25%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-105.1112.2170.1174.970.3000108.1I108 L109 I163 F164 I165 D166 W178I108-L124 HydrophobicContact CG2-CD1 4.03Å; I108-L124 CarbonylContact O-C 3.58Å; I108-L124 VanDerWaalsContact O-CA 3.29Å; I108-L124 WeakPolarHBondContact O-CA 3.36Å; L109-L124 HydrophobicContact CD1-CB 4.24Å; L109-L124 HydrophobicContact CD1-CD1 4.45Å; L124-I163 HydrophobicContact CB-CG2 3.89Å; L124-F164 PolarHBondContact N-O 2.96Å; L124-I165 HydrophobicContact CD2-CG1 4.4Å; L124-I165 HydrophobicContact CD2-CG2 4.14Å; L124-I165 CarbonylContact O-C 3.58Å; L124-D166 PolarHBondContact O-N 3.22Å; L124-W178 HydrophobicContact CD1-CH2 4.08Å; L124-W178 HydrophobicContact CD2-CH2 3.45Å; L124-W178 VanDerWaalsContact CD2-CH2 3.45Å; L124-W178 HydrophobicContact CD2-CZ2 3.47Å; L124-W178 VanDerWaalsContact CD2-CZ2 3.47Å; L124-W178 HydrophobicContact CD2-CZ3 4.41Å; L124-W178 HydrophobicContact CG-CH2 4.39Å
125R98.1Very high97.4Very high55 Ų5539 Ų3921%0.20821%0.206CC..EExtended strand (participates in β ladder)trans-103.191.7-179-63.7172.861-134.16.1109.5A106 G107 I108 I123 K127 A128 D166 Y255A106-R125 PolarHBondContact O-NH1 3.11Å; G107-R125 PolarHBondContact O-NH1 3.13Å; I108-R125 PolarHBondContact O-N 3.33Å; I123-R125 HydrophobicContact CD1-CG 4.04Å; I123-R125 HydrophobicContact CG1-CG 3.92Å; R125-K127 VanDerWaalsContact C-N 3.29Å; R125-K127 PolarHBondContact O-N 2.88Å; R125-A128 HydrophobicContact CB-CB 4.05Å; R125-A128 WeakPolarHBondContact O-CB 3.46Å; R125-A128 PolarHBondContact O-N 3.1Å; R125-D166 HydrophobicContact CG-CB 4.32Å; R125-Y255 PolarHBondContact NE-OH 3.05Å
126L96.7Very high97.2Very high2 Ų239.9 Ų39.91%0.0121%0.21CC..G310 helixtrans-65.4-33.8-170.5-175.763000112.4A128 W129 D166 L167 T170 Q174 W178L126-A128 PolarHBondContact O-N 3.48Å; L126-W129 HydrophobicContact CD1-CE3 3.7Å; L126-W129 HydrophobicContact CD1-CZ3 4.27Å; L126-W129 PolarHBondContact O-N 3.42Å; L126-W129 VanDerWaalsContact O-N 3.17Å; L126-D166 PolarHBondContact N-O 3.41Å; L126-L167 HydrophobicContact CB-CD2 4.02Å; L126-L167 HydrophobicContact CD2-CD2 3.6Å; L126-L167 HydrophobicContact CG-CD2 4.45Å; L126-T170 HydrophobicContact CB-CG2 3.6Å; L126-T170 HydrophobicContact CD2-CG2 3.8Å; L126-T170 HydrophobicContact CG-CG2 3.76Å; L126-Q174 HydrophobicContact CG-CB 4.46Å; L126-Q174 PolarHBondContact O-NE2 2.87Å; L126-W178 HydrophobicContact CD1-CB 4.33Å; L126-W178 HydrophobicContact CD1-CD2 3.86Å; L126-W178 HydrophobicContact CD1-CE3 3.58Å; L126-W178 HydrophobicContact CD1-CG 4.18Å; L126-W178 HydrophobicContact CD1-CZ3 4.16Å; L126-W178 HydrophobicContact CD2-CB 4.24Å; L126-W178 HydrophobicContact CD2-CG 4.16Å
127K97.1Very high97Very high127 Ų12737.7 Ų37.755%0.55220%0.201SC*.G310 helixtrans-59.8-30175179.5179.2178.1-177.50112.9R125 W129 S168 T170 Q174R125-K127 VanDerWaalsContact C-N 3.29Å; R125-K127 PolarHBondContact O-N 2.88Å; K127-W129 PolarHBondContact O-N 2.99Å; K127-S168 WeakPolarHBondContact CB-O 3.31Å; K127-S168 VanDerWaalsContact CD-O 3.32Å; K127-S168 WeakPolarHBondContact CD-O 3.49Å; K127-T170 HydrophobicContact CB-CG2 4.44Å; K127-Q174 PolarHBondContact O-NE2 3.11Å; K127-Q174 VanDerWaalsContact O-NE2 3.15Å
128A98Very high97Very high19 Ų1938.9 Ų38.916%0.15720%0.2CC..G310 helixtrans-71.5-20.4-178.700000113.1A106 I108 R125 L126 Q130A106-A128 VanDerWaalsContact O-CB 3.32Å; A106-A128 WeakPolarHBondContact O-CB 3.46Å; I108-A128 HydrophobicContact CG1-CB 4.34Å; R125-A128 HydrophobicContact CB-CB 4.05Å; R125-A128 WeakPolarHBondContact O-CB 3.46Å; R125-A128 PolarHBondContact O-N 3.1Å; L126-A128 PolarHBondContact O-N 3.48Å; A128-Q130 PolarHBondContact O-N 3.25Å
129W98Very high97Very high1 Ų138.8 Ų38.80%0.00420%0.199CC..  trans-78.9117.2176168.745.9000110.7I108 L126 K127 P131 L134 Q136 M139 Q174 E177I108-W129 HydrophobicContact CD1-CB 3.78Å; I108-W129 HydrophobicContact CD1-CG 4.24Å; I108-W129 HydrophobicContact CG1-CB 3.96Å; I108-W129 HydrophobicContact CG2-CB 4.28Å; L126-W129 HydrophobicContact CD1-CE3 3.7Å; L126-W129 HydrophobicContact CD1-CZ3 4.27Å; L126-W129 PolarHBondContact O-N 3.42Å; L126-W129 VanDerWaalsContact O-N 3.17Å; K127-W129 PolarHBondContact O-N 2.99Å; W129-P131 HydrophobicContact CD2-CG 4.17Å; W129-P131 HydrophobicContact CE3-CG 4.27Å; W129-P131 HydrophobicContact CH2-CB 4.28Å; W129-P131 HydrophobicContact CH2-CG 3.89Å; W129-P131 HydrophobicContact CZ2-CB 3.81Å; W129-P131 HydrophobicContact CZ2-CG 3.74Å; W129-P131 HydrophobicContact CZ3-CG 4.16Å; W129-P131 WeakPolarHBondContact O-CD 3.34Å; W129-L134 PolarHBondContact NE1-O 3.2Å; W129-Q136 HydrophobicContact CH2-CB 4.2Å; W129-Q136 HydrophobicContact CH2-CG 4.2Å; W129-Q136 HydrophobicContact CZ2-CB 3.86Å; W129-Q136 HydrophobicContact CZ2-CG 4.18Å; W129-M139 HydrophobicContact CD2-CE 4.24Å; W129-M139 HydrophobicContact CD2-CG 4.46Å; W129-M139 HydrophobicContact CE3-CE 4.47Å; W129-M139 HydrophobicContact CG-CG 4.11Å; W129-M139 HydrophobicContact CZ2-CE 4.32Å; W129-Q174 HydrophobicContact CE3-CB 4.42Å; W129-Q174 HydrophobicContact CE3-CG 4.23Å; W129-Q174 HydrophobicContact CZ3-CB 4.38Å; W129-Q174 HydrophobicContact CZ3-CG 4.49Å; W129-Q174 PolarHBondContact O-NE2 2.87Å; W129-E177 HydrophobicContact CH2-CB 3.68Å; W129-E177 HydrophobicContact CH2-CG 4.48Å; W129-E177 WeakPolarHBondContact CH2-OE2 3.37Å; W129-E177 HydrophobicContact CZ3-CB 4.26Å
130Q96.4Very high96.9Very high114 Ų11439.6 Ų39.653%0.53320%0.202SC..  trans-101.1104.3176.7-60.6-176.821.300109.6A128 D132 L133 L134A128-Q130 PolarHBondContact O-N 3.25Å; Q130-D132 PolarHBondContact O-N 3.13Å; Q130-D132 VanDerWaalsContact O-N 3.15Å; Q130-L133 HydrophobicContact CB-CB 4.35Å; Q130-L133 HydrophobicContact CB-CD1 4.38Å; Q130-L133 HydrophobicContact CB-CG 4.36Å; Q130-L133 PolarHBondContact O-N 2.92Å; Q130-L133 VanDerWaalsContact O-N 3.09Å; Q130-L134 PolarHBondContact O-N 2.69Å
131P95.7Very high96.8Very high19 Ų1939.2 Ų39.212%0.12320%0.2CC..THydrogen-bonded Turntrans-61.5-26.6-172.6-2434.5000114.4W129 L134 Q174 E177W129-P131 HydrophobicContact CD2-CG 4.17Å; W129-P131 HydrophobicContact CE3-CG 4.27Å; W129-P131 HydrophobicContact CH2-CB 4.28Å; W129-P131 HydrophobicContact CH2-CG 3.89Å; W129-P131 HydrophobicContact CZ2-CB 3.81Å; W129-P131 HydrophobicContact CZ2-CG 3.74Å; W129-P131 HydrophobicContact CZ3-CG 4.16Å; W129-P131 WeakPolarHBondContact O-CD 3.34Å; P131-L134 WeakPolarHBondContact CA-O 3.37Å; P131-L134 CarbonylContact O-C 3.49Å; P131-Q174 HydrophobicContact CG-CG 4.05Å; P131-E177 WeakPolarHBondContact CB-OE1 3.43Å
132D94.9Very high96.8Very high131 Ų13139.2 Ų39.270%0.70120%0.2SC*.THydrogen-bonded Turntrans-75.1-23.4179.1-64.7-53.9000113.6Q130 K173Q130-D132 PolarHBondContact O-N 3.13Å; Q130-D132 VanDerWaalsContact O-N 3.15Å; D132-K173 IonicContact OD1-NZ 3.58Å; D132-K173 PolarHBondContact OD1-NZ 2.95Å; D132-K173 IonicContact OD2-NZ 3.68Å; D132-K173 PolarHBondContact OD2-NZ 3.47Å
133L95.9Very high96.7Very high108 Ų10839.9 Ų39.957%0.56520%0.204SC*.THydrogen-bonded Turntrans-99.3-30.3176.3-61.1-175.9000112.4I99 V102 Q130I99-L133 WeakPolarHBondContact CD1-O 3.32Å; V102-L133 HydrophobicContact CG1-CB 4.44Å; Q130-L133 HydrophobicContact CB-CB 4.35Å; Q130-L133 HydrophobicContact CB-CD1 4.38Å; Q130-L133 HydrophobicContact CB-CG 4.36Å; Q130-L133 PolarHBondContact O-N 2.92Å; Q130-L133 VanDerWaalsContact O-N 3.09Å
134L96.7Very high96.6Very high4 Ų441 Ų412%0.02121%0.21CC..SBendtrans-136101.8-176.9-177.370000108.1I99 Y103 I108 W129 Q130 P131 Q138 M139 L142I99-L134 HydrophobicContact CD1-CB 4.47Å; I99-L134 HydrophobicContact CD1-CD1 3.47Å; I99-L134 VanDerWaalsContact CD1-CD1 3.47Å; I99-L134 HydrophobicContact CG1-CD1 3.42Å; I99-L134 VanDerWaalsContact CG1-CD1 3.42Å; Y103-L134 HydrophobicContact CD2-CD2 3.91Å; I108-L134 HydrophobicContact CD1-CD2 3.61Å; W129-L134 PolarHBondContact NE1-O 3.2Å; Q130-L134 PolarHBondContact O-N 2.69Å; P131-L134 WeakPolarHBondContact CA-O 3.37Å; P131-L134 CarbonylContact O-C 3.49Å; L134-Q138 HydrophobicContact CD1-CB 3.51Å; L134-Q138 HydrophobicContact CG-CB 4.3Å; L134-M139 HydrophobicContact CD2-CB 3.71Å; L134-M139 HydrophobicContact CD2-CG 4.17Å; L134-M139 HydrophobicContact CG-CB 3.92Å; L134-L142 HydrophobicContact CD1-CD1 3.88Å
135S95.9Very high96.5Very high47 Ų4741 Ų4133%0.32921%0.209SC..  trans-57.4155.9178.366.90000111T137 Q138 M139S135-T137 PolarHBondContact O-N 3.07Å; S135-Q138 PolarHBondContact O-N 3.5Å; S135-Q138 VanDerWaalsContact O-N 3.12Å; S135-Q138 VanDerWaalsContact OG-CD 3.29Å; S135-Q138 VanDerWaalsContact OG-CG 3.3Å; S135-Q138 WeakPolarHBondContact OG-CG 3.45Å; S135-Q138 PolarHBondContact OG-N 3.33Å; S135-Q138 PolarHBondContact OG-OE1 2.97Å; S135-M139 WeakPolarHBondContact O-CB 3.25Å; S135-M139 PolarHBondContact O-N 2.92Å
136Q94.5Very high96.4Very high21 Ų2138.3 Ų38.310%0.09820%0.2CC..Hα-helixtrans-55.7-40.8178.4-167-171.2114.200112.4W129 Q138 M139 R140 E177 T183W129-Q136 HydrophobicContact CH2-CB 4.2Å; W129-Q136 HydrophobicContact CH2-CG 4.2Å; W129-Q136 HydrophobicContact CZ2-CB 3.86Å; W129-Q136 HydrophobicContact CZ2-CG 4.18Å; Q136-Q138 PolarHBondContact O-N 3.29Å; Q136-M139 HydrophobicContact CG-CE 3.87Å; Q136-M139 PolarHBondContact O-N 3.28Å; Q136-R140 HydrophobicContact CG-CG 4.27Å; Q136-R140 WeakPolarHBondContact O-CB 3.41Å; Q136-R140 WeakPolarHBondContact O-CG 3.29Å; Q136-R140 PolarHBondContact O-N 3.02Å; Q136-E177 PolarHBondContact NE2-O 2.77Å; Q136-T183 PolarHBondContact OE1-OG1 3.15Å
137T95.2Very high96.2Very high63 Ų6340 Ų4039%0.38721%0.207SC..Hα-helixtrans-60.6-46.1177.7-60.90000111.8E88 S135 R140 A141E88-T137 HydrophobicContact CB-CG2 3.58Å; S135-T137 PolarHBondContact O-N 3.07Å; T137-R140 PolarHBondContact O-N 3.37Å; T137-A141 WeakPolarHBondContact O-CB 3.33Å; T137-A141 PolarHBondContact O-N 3.15Å
138Q97.2Very high96Very high79 Ų7934 Ų3437%0.36918%0.181SC..Hα-helixtrans-65-43.2176.8-70.2163.5-48.700111.5L134 S135 Q136 R140 A141 L142L134-Q138 HydrophobicContact CD1-CB 3.51Å; L134-Q138 HydrophobicContact CG-CB 4.3Å; S135-Q138 PolarHBondContact O-N 3.5Å; S135-Q138 VanDerWaalsContact O-N 3.12Å; S135-Q138 VanDerWaalsContact OG-CD 3.29Å; S135-Q138 VanDerWaalsContact OG-CG 3.3Å; S135-Q138 WeakPolarHBondContact OG-CG 3.45Å; S135-Q138 PolarHBondContact OG-N 3.33Å; S135-Q138 PolarHBondContact OG-OE1 2.97Å; Q136-Q138 PolarHBondContact O-N 3.29Å; Q138-R140 VanDerWaalsContact C-N 3.33Å; Q138-R140 PolarHBondContact O-N 2.87Å; Q138-A141 PolarHBondContact O-N 2.88Å; Q138-L142 WeakPolarHBondContact O-CB 3.26Å; Q138-L142 WeakPolarHBondContact O-CG 3.46Å; Q138-L142 PolarHBondContact O-N 3Å
139M97Very high95.8Very high0 Ų034.1 Ų34.10%018%0.177CC..Hα-helixtrans-59-43.6175.5177.5-82.6-68.300111.6I108 W129 L134 S135 Q136 L142 N143 W178I108-M139 HydrophobicContact CD1-CG 4.3Å; I108-M139 HydrophobicContact CG2-CG 4.42Å; W129-M139 HydrophobicContact CD2-CE 4.24Å; W129-M139 HydrophobicContact CD2-CG 4.46Å; W129-M139 HydrophobicContact CE3-CE 4.47Å; W129-M139 HydrophobicContact CG-CG 4.11Å; W129-M139 HydrophobicContact CZ2-CE 4.32Å; L134-M139 HydrophobicContact CD2-CB 3.71Å; L134-M139 HydrophobicContact CD2-CG 4.17Å; L134-M139 HydrophobicContact CG-CB 3.92Å; S135-M139 WeakPolarHBondContact O-CB 3.25Å; S135-M139 PolarHBondContact O-N 2.92Å; Q136-M139 HydrophobicContact CG-CE 3.87Å; Q136-M139 PolarHBondContact O-N 3.28Å; M139-L142 PolarHBondContact O-N 2.82Å; M139-N143 WeakPolarHBondContact O-CB 3.37Å; M139-N143 PolarHBondContact O-N 2.69Å; M139-N143 PolarHBondContact SD-ND2 3.47Å; M139-W178 HydrophobicContact CE-CE3 3.85Å; M139-W178 HydrophobicContact CE-CZ3 3.57Å; M139-W178 HydrophobicContact SD-CZ3 4Å
140R95.8Very high95.6Very high22 Ų2235 Ų358%0.08318%0.181CC..Hα-helixtrans-66.7-41177-68-72.5-175.7-157.8-4111.8W89 Q136 T137 Q138 N143 N144 W178W89-R140 HydrophobicContact CB-CB 4.17Å; W89-R140 HydrophobicContact CD2-CB 3.81Å; W89-R140 HydrophobicContact CD2-CG 4.15Å; W89-R140 HydrophobicContact CE3-CB 4.43Å; W89-R140 HydrophobicContact CG-CB 3.66Å; W89-R140 HydrophobicContact CG-CG 4.44Å; W89-R140 HydrophobicContact CZ2-CG 4.27Å; Q136-R140 HydrophobicContact CG-CG 4.27Å; Q136-R140 WeakPolarHBondContact O-CB 3.41Å; Q136-R140 WeakPolarHBondContact O-CG 3.29Å; Q136-R140 PolarHBondContact O-N 3.02Å; T137-R140 PolarHBondContact O-N 3.37Å; Q138-R140 VanDerWaalsContact C-N 3.33Å; Q138-R140 PolarHBondContact O-N 2.87Å; R140-N143 PolarHBondContact O-N 2.66Å; R140-N144 WeakPolarHBondContact O-CB 3.14Å; R140-N144 VanDerWaalsContact O-CG 3.32Å; R140-N144 PolarHBondContact O-N 2.83Å; R140-W178 VanDerWaalsContact NH1-CZ3 3.3Å; R140-W178 VanDerWaalsContact NH2-CE3 3.28Å
141A97.1Very high95.3Very high2 Ų230.2 Ų30.22%0.01716%0.159CC..Hα-helixtrans-60.6-45.9175.600000111.8W89 Y92 T137 Q138 N144 M145W89-A141 WeakPolarHBondContact O-CA 3.3Å; Y92-A141 HydrophobicContact CD1-CB 4.24Å; Y92-A141 WeakPolarHBondContact CE1-O 3.34Å; T137-A141 WeakPolarHBondContact O-CB 3.33Å; T137-A141 PolarHBondContact O-N 3.15Å; Q138-A141 PolarHBondContact O-N 2.88Å; A141-N144 WeakPolarHBondContact O-CB 3.36Å; A141-N144 PolarHBondContact O-N 3.45Å; A141-M145 WeakPolarHBondContact O-CG 3.19Å; A141-M145 PolarHBondContact O-N 3.27Å
142L98Very high95.2Very high0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-71-35.4178.3-70.6161.4000112.7P93 I99 V100 Y103 L134 Q138 M139 N144 M145 N146P93-L142 HydrophobicContact CG-CD2 3.7Å; P93-L142 HydrophobicContact CG-CG 4.25Å; I99-L142 HydrophobicContact CG1-CD1 4.42Å; I99-L142 HydrophobicContact CG2-CD1 4.45Å; V100-L142 HydrophobicContact CB-CD2 4.49Å; V100-L142 HydrophobicContact CG2-CD2 4.04Å; Y103-L142 VanDerWaalsContact CB-CD1 3.44Å; Y103-L142 HydrophobicContact CD1-CB 3.75Å; Y103-L142 HydrophobicContact CD1-CD1 4.41Å; Y103-L142 HydrophobicContact CD1-CD2 4.43Å; Y103-L142 HydrophobicContact CD1-CG 4.41Å; Y103-L142 HydrophobicContact CD2-CB 3.62Å; Y103-L142 HydrophobicContact CD2-CD1 4.19Å; Y103-L142 HydrophobicContact CE1-CB 3.96Å; Y103-L142 HydrophobicContact CE2-CB 3.82Å; Y103-L142 HydrophobicContact CG-CB 3.59Å; Y103-L142 HydrophobicContact CG-CD1 3.77Å; Y103-L142 HydrophobicContact CG-CG 4.16Å; L134-L142 HydrophobicContact CD1-CD1 3.88Å; Q138-L142 WeakPolarHBondContact O-CB 3.26Å; Q138-L142 WeakPolarHBondContact O-CG 3.46Å; Q138-L142 PolarHBondContact O-N 3Å; M139-L142 PolarHBondContact O-N 2.82Å; L142-N144 VanDerWaalsContact C-N 3.33Å; L142-N144 PolarHBondContact O-N 3.47Å; L142-M145 HydrophobicContact CD2-SD 3.98Å; L142-M145 PolarHBondContact O-N 2.65Å; L142-N146 VanDerWaalsContact O-CB 3.31Å; L142-N146 WeakPolarHBondContact O-CB 3.49Å; L142-N146 PolarHBondContact O-N 3.25Å
143N96.5Very high95.1Very high15 Ų1526.1 Ų26.18%0.0814%0.136CC..Hα-helixtrans-61.2-41.4169.3-85.3-11.4000112.1Y103 L109 M139 R140 N146 F147Y103-N143 VanDerWaalsContact CE2-OD1 3.23Å; Y103-N143 WeakPolarHBondContact CE2-OD1 3.23Å; Y103-N143 PolarHBondContact OH-OD1 2.91Å; L109-N143 WeakPolarHBondContact CB-OD1 3.4Å; L109-N143 HydrophobicContact CD2-CB 4.42Å; M139-N143 WeakPolarHBondContact O-CB 3.37Å; M139-N143 PolarHBondContact O-N 2.69Å; M139-N143 PolarHBondContact SD-ND2 3.47Å; R140-N143 PolarHBondContact O-N 2.66Å; N143-N146 PolarHBondContact O-N 3.33Å; N143-F147 VanDerWaalsContact O-CB 3.26Å; N143-F147 WeakPolarHBondContact O-CB 3.43Å; N143-F147 PolarHBondContact O-N 2.93Å
144N95.4Very high95.1Very high24 Ų2422.6 Ų22.613%0.12812%0.116CC..Hα-helixtrans-62.8-47.2175.6-75.5-15.4000110.7W89 Y90 Y92 R140 A141 L142 N146 F147 E148W89-N144 WeakPolarHBondContact CB-ND2 3.46Å; W89-N144 PolarHBondContact O-ND2 2.97Å; Y90-N144 HydrophobicContact CE1-CB 4.4Å; Y92-N144 HydrophobicContact CE1-CB 4.01Å; R140-N144 WeakPolarHBondContact O-CB 3.14Å; R140-N144 VanDerWaalsContact O-CG 3.32Å; R140-N144 PolarHBondContact O-N 2.83Å; A141-N144 WeakPolarHBondContact O-CB 3.36Å; A141-N144 PolarHBondContact O-N 3.45Å; L142-N144 VanDerWaalsContact C-N 3.33Å; L142-N144 PolarHBondContact O-N 3.47Å; N144-N146 VanDerWaalsContact C-N 3.3Å; N144-N146 PolarHBondContact O-N 3.3Å; N144-F147 PolarHBondContact O-N 3.48Å; N144-E148 WeakPolarHBondContact O-CB 3.3Å; N144-E148 VanDerWaalsContact O-CG 3.23Å; N144-E148 WeakPolarHBondContact O-CG 3.41Å; N144-E148 PolarHBondContact O-N 3.47Å
145M96.2Very high95Very high7 Ų727.4 Ų27.43%0.03413%0.134CC..Hα-helixtrans-55.9-48174-69.3177.675.400111.2Y92 P93 A141 L142 F147 E148 F273 Y277Y92-M145 HydrophobicContact CD1-CG 3.42Å; Y92-M145 VanDerWaalsContact CD1-CG 3.42Å; Y92-M145 HydrophobicContact CD1-SD 3.95Å; Y92-M145 HydrophobicContact CD2-CG 3.76Å; Y92-M145 HydrophobicContact CD2-SD 4.41Å; Y92-M145 HydrophobicContact CE1-CG 3.68Å; Y92-M145 HydrophobicContact CE2-CG 3.99Å; Y92-M145 HydrophobicContact CG-CG 3.48Å; Y92-M145 VanDerWaalsContact CG-CG 3.48Å; Y92-M145 HydrophobicContact CG-SD 3.76Å; P93-M145 HydrophobicContact CG-SD 4.41Å; A141-M145 WeakPolarHBondContact O-CG 3.19Å; A141-M145 PolarHBondContact O-N 3.27Å; L142-M145 HydrophobicContact CD2-SD 3.98Å; L142-M145 PolarHBondContact O-N 2.65Å; M145-F147 VanDerWaalsContact C-N 3.34Å; M145-F147 PolarHBondContact O-N 2.94Å; M145-E148 PolarHBondContact O-N 3.28Å; M145-F273 HydrophobicContact CB-CE2 3.84Å; M145-F273 HydrophobicContact CB-CZ 3.8Å; M145-F273 HydrophobicContact CE-CE1 4.23Å; M145-F273 HydrophobicContact CE-CZ 3.77Å; M145-F273 HydrophobicContact SD-CZ 4.21Å; M145-Y277 VanDerWaalsContact C-OH 3.25Å; M145-Y277 WeakPolarHBondContact CA-OH 3.32Å; M145-Y277 HydrophobicContact CB-CE2 3.81Å; M145-Y277 WeakPolarHBondContact CB-OH 3.46Å; M145-Y277 HydrophobicContact CE-CD1 3.78Å; M145-Y277 HydrophobicContact CE-CD2 4.09Å; M145-Y277 HydrophobicContact CE-CE1 3.78Å; M145-Y277 HydrophobicContact CE-CE2 4.1Å; M145-Y277 HydrophobicContact CE-CG 3.94Å; M145-Y277 WeakPolarHBondContact O-CE2 3.42Å; M145-Y277 PolarHBondContact O-OH 3.44Å
146N95.5Very high95Very high0 Ų025.3 Ų25.30%012%0.12CC..Hα-helixtrans-59.2-48.7-178.2-167.8-11.5000110.9Y103 L109 L142 N143 N144 E148 R149 F150 D269 F273Y103-N146 HydrophobicContact CE1-CB 4.31Å; Y103-N146 WeakPolarHBondContact OH-CB 3.24Å; Y103-N146 PolarHBondContact OH-ND2 3.44Å; Y103-N146 VanDerWaalsContact OH-ND2 3.14Å; L109-N146 HydrophobicContact CD2-CB 4.42Å; L109-N146 PolarHBondContact O-ND2 3.19Å; L142-N146 VanDerWaalsContact O-CB 3.31Å; L142-N146 WeakPolarHBondContact O-CB 3.49Å; L142-N146 PolarHBondContact O-N 3.25Å; N143-N146 PolarHBondContact O-N 3.33Å; N144-N146 VanDerWaalsContact C-N 3.3Å; N144-N146 PolarHBondContact O-N 3.3Å; N146-E148 PolarHBondContact O-N 2.99Å; N146-R149 PolarHBondContact O-NE 2.67Å; N146-R149 PolarHBondContact OD1-NH2 2.97Å; N146-F150 VanDerWaalsContact O-CD2 3.3Å; N146-F150 WeakPolarHBondContact O-CD2 3.23Å; N146-D269 PolarHBondContact ND2-OD2 3.07Å; N146-F273 HydrophobicContact CB-CD2 4.25Å; N146-F273 HydrophobicContact CB-CE2 4.06Å
147F93.1Very high95.1Very high36 Ų3624.5 Ų24.516%0.15812%0.116CC..Hα-helixtrans-69.4-30.8-178.9-166.8-95.3000113.6F122 N143 N144 M145 R149 F150 I151 V161 T195F122-F147 HydrophobicContact CE2-CD2 4.34Å; F122-F147 HydrophobicContact CE2-CE2 4.06Å; F122-F147 HydrophobicContact CZ-CD2 4.25Å; F122-F147 HydrophobicContact CZ-CE2 4.36Å; N143-F147 VanDerWaalsContact O-CB 3.26Å; N143-F147 WeakPolarHBondContact O-CB 3.43Å; N143-F147 PolarHBondContact O-N 2.93Å; N144-F147 PolarHBondContact O-N 3.48Å; M145-F147 VanDerWaalsContact C-N 3.34Å; M145-F147 PolarHBondContact O-N 2.94Å; F147-R149 VanDerWaalsContact C-N 3.27Å; F147-R149 PolarHBondContact O-N 3.26Å; F147-F150 WeakPolarHBondContact O-CB 3.3Å; F147-F150 PolarHBondContact O-N 2.86Å; F147-I151 HydrophobicContact CD1-CD1 3.79Å; F147-I151 HydrophobicContact CD1-CG1 3.84Å; F147-I151 HydrophobicContact CE1-CD1 3.98Å; F147-I151 HydrophobicContact CE1-CG1 3.76Å; F147-I151 PolarHBondContact O-N 3.28Å; F147-I151 VanDerWaalsContact O-N 3.12Å; F147-V161 HydrophobicContact CE2-CB 4.41Å; F147-V161 HydrophobicContact CE2-CG1 4.13Å; F147-V161 HydrophobicContact CE2-CG2 4.15Å; F147-V161 HydrophobicContact CZ-CG1 4.06Å; F147-V161 HydrophobicContact CZ-CG2 3.98Å; F147-T195 HydrophobicContact CE1-CG2 3.68Å; F147-T195 HydrophobicContact CZ-CG2 4.46Å
148E93.1Very high95.1Very high2 Ų221.6 Ų21.61%0.00910%0.098CC..Hα-helixtrans-60-34.5178.4-85.1-17916700113.7R79 Y92 N144 M145 N146 F150 I151 L152 Y277 L283R79-E148 IonicContact CZ-OE1 2.62Å; R79-E148 IonicContact NH1-OE1 3.91Å; R79-E148 PolarHBondContact NH1-OE1 3.14Å; R79-E148 IonicContact NH2-OE1 3.7Å; R79-E148 PolarHBondContact NH2-OE1 3.35Å; Y92-E148 WeakPolarHBondContact CE2-OE2 3.22Å; Y92-E148 VanDerWaalsContact OH-CD 3.24Å; Y92-E148 PolarHBondContact OH-OE1 2.67Å; Y92-E148 PolarHBondContact OH-OE2 3.02Å; N144-E148 WeakPolarHBondContact O-CB 3.3Å; N144-E148 VanDerWaalsContact O-CG 3.23Å; N144-E148 WeakPolarHBondContact O-CG 3.41Å; N144-E148 PolarHBondContact O-N 3.47Å; M145-E148 PolarHBondContact O-N 3.28Å; N146-E148 PolarHBondContact O-N 2.99Å; E148-F150 PolarHBondContact O-N 2.82Å; E148-F150 VanDerWaalsContact O-N 3.11Å; E148-I151 HydrophobicContact CG-CD1 4.35Å; E148-I151 WeakPolarHBondContact O-CB 3.2Å; E148-I151 PolarHBondContact O-N 3.36Å; E148-L152 PolarHBondContact O-N 2.92Å; E148-Y277 PolarHBondContact OE2-OH 3.3Å; E148-L283 HydrophobicContact CB-CD1 4.01Å; E148-L283 HydrophobicContact CG-CD1 3.61Å; E148-L283 WeakPolarHBondContact OE1-CD1 3.08Å
149R93.6Very high95.1Very high21 Ų2118 Ų188%0.0798%0.082CC..Hα-helixtrans-54.9-32174.2-54.6-172.1-67.5151.8-3.7112N146 F147 D269 N272 F276 Y277N146-R149 PolarHBondContact O-NE 2.67Å; N146-R149 PolarHBondContact OD1-NH2 2.97Å; F147-R149 VanDerWaalsContact C-N 3.27Å; F147-R149 PolarHBondContact O-N 3.26Å; R149-D269 IonicContact CZ-OD1 2.64Å; R149-D269 IonicContact NH1-OD1 3.14Å; R149-D269 IonicContact NH2-OD1 2.73Å; R149-D269 PolarHBondContact NH2-OD1 3.4Å; R149-D269 IonicContact NH2-OD2 2.69Å; R149-N272 PolarHBondContact NH1-O 3.17Å; R149-F276 HydrophobicContact CB-CD1 4.44Å; R149-F276 HydrophobicContact CB-CD2 4.09Å; R149-F276 HydrophobicContact CB-CE1 4.45Å; R149-F276 HydrophobicContact CB-CE2 4.09Å; R149-F276 HydrophobicContact CB-CG 4.26Å; R149-F276 HydrophobicContact CB-CZ 4.26Å; R149-F276 HydrophobicContact CG-CB 4.2Å; R149-F276 HydrophobicContact CG-CD1 3.51Å; R149-F276 HydrophobicContact CG-CD2 3.96Å; R149-F276 HydrophobicContact CG-CE1 3.74Å; R149-F276 HydrophobicContact CG-CE2 4.16Å; R149-F276 HydrophobicContact CG-CG 3.62Å; R149-F276 HydrophobicContact CG-CZ 4.05Å; R149-Y277 HydrophobicContact CG-CE2 3.86Å
150F93.6Very high95.1Very high21 Ų2118 Ų189%0.0928%0.082CC..Hα-helixtrans-93.8-20.4-178.9-60.2-88.3000112.9P111 H120 F122 N146 F147 E148 L152 D153 C156P111-F150 HydrophobicContact CB-CE1 3.97Å; P111-F150 HydrophobicContact CB-CE2 4.27Å; P111-F150 HydrophobicContact CB-CZ 3.5Å; P111-F150 VanDerWaalsContact CB-CZ 3.5Å; P111-F150 HydrophobicContact CG-CE2 4.4Å; P111-F150 HydrophobicContact CG-CZ 3.74Å; H120-F150 AromaticContact CE1-CD1 3.75Å; H120-F150 AromaticContact CE1-CE1 3.42Å; H120-F150 VanDerWaalsContact CE1-CE1 3.42Å; H120-F150 WeakPolarHBondContact CE1-CE1 3.35Å; H120-F150 AromaticContact NE2-CD1 3.74Å; H120-F150 AromaticContact NE2-CE1 3.34Å; H120-F150 VanDerWaalsContact NE2-CE1 3.34Å; H120-F150 WeakPolarHBondContact NE2-CE1 3.39Å; F122-F150 HydrophobicContact CE1-CD1 4.25Å; F122-F150 AromaticContact CE1-CD2 3.53Å; F122-F150 HydrophobicContact CE1-CD2 3.53Å; F122-F150 HydrophobicContact CE1-CE1 4.27Å; F122-F150 AromaticContact CE1-CE2 3.56Å; F122-F150 HydrophobicContact CE1-CE2 3.56Å; F122-F150 AromaticContact CE1-CG 3.91Å; F122-F150 HydrophobicContact CE1-CG 3.91Å; F122-F150 AromaticContact CE1-CZ 3.96Å; F122-F150 HydrophobicContact CE1-CZ 3.96Å; F122-F150 HydrophobicContact CZ-CB 3.85Å; F122-F150 AromaticContact CZ-CD1 3.8Å; F122-F150 HydrophobicContact CZ-CD1 3.8Å; F122-F150 AromaticContact CZ-CD2 3.54Å; F122-F150 HydrophobicContact CZ-CD2 3.54Å; F122-F150 HydrophobicContact CZ-CE1 4.23Å; F122-F150 HydrophobicContact CZ-CE2 4.01Å; F122-F150 AromaticContact CZ-CG 3.44Å; F122-F150 HydrophobicContact CZ-CG 3.44Å; F122-F150 VanDerWaalsContact CZ-CG 3.44Å; F122-F150 HydrophobicContact CZ-CZ 4.34Å; N146-F150 VanDerWaalsContact O-CD2 3.3Å; N146-F150 WeakPolarHBondContact O-CD2 3.23Å; F147-F150 WeakPolarHBondContact O-CB 3.3Å; F147-F150 PolarHBondContact O-N 2.86Å; E148-F150 PolarHBondContact O-N 2.82Å; E148-F150 VanDerWaalsContact O-N 3.11Å; F150-L152 PolarHBondContact O-N 3.41Å; F150-D153 PolarHBondContact O-N 3.22Å; F150-C156 HydrophobicContact CB-CB 4.45Å; F150-C156 WeakPolarHBondContact O-CB 3.39Å
151I90.8Very high95.1Very high12 Ų1217.1 Ų17.16%0.0628%0.079CC..Hα-helixtrans-61.4-34.1167.8-73.9173000110.6F75 F147 E148 Q157 T195 P196F75-I151 HydrophobicContact CE2-CD1 4.32Å; F147-I151 HydrophobicContact CD1-CD1 3.79Å; F147-I151 HydrophobicContact CD1-CG1 3.84Å; F147-I151 HydrophobicContact CE1-CD1 3.98Å; F147-I151 HydrophobicContact CE1-CG1 3.76Å; F147-I151 PolarHBondContact O-N 3.28Å; F147-I151 VanDerWaalsContact O-N 3.12Å; E148-I151 HydrophobicContact CG-CD1 4.35Å; E148-I151 WeakPolarHBondContact O-CB 3.2Å; E148-I151 PolarHBondContact O-N 3.36Å; I151-Q157 WeakPolarHBondContact O-CG 3.36Å; I151-Q157 PolarHBondContact O-NE2 3.15Å; I151-T195 HydrophobicContact CD1-CG2 4.16Å; I151-P196 HydrophobicContact CG1-CG 4.41Å; I151-P196 HydrophobicContact CG2-CG 3.48Å; I151-P196 VanDerWaalsContact CG2-CG 3.48Å
152L92.7Very high95.1Very high32 Ų3217 Ų1717%0.1688%0.078CC..THydrogen-bonded Turntrans-84.5-8.1177.9-58-176.5000113.8F53 E148 F150 F276F53-L152 HydrophobicContact CB-CD2 3.78Å; F53-L152 HydrophobicContact CD2-CD2 4.02Å; F53-L152 HydrophobicContact CG-CD2 4.39Å; E148-L152 PolarHBondContact O-N 2.92Å; F150-L152 PolarHBondContact O-N 3.41Å; L152-F276 HydrophobicContact CD1-CE2 4.42Å; L152-F276 HydrophobicContact CD1-CZ 3.89Å
153D93.8Very high95.1Very high32 Ų3218.6 Ų18.617%0.1719%0.086CC..  trans-83.3116.9177.7-172.4-30000110.4F150 R155 C156 Q157F150-D153 PolarHBondContact O-N 3.22Å; D153-R155 PolarHBondContact O-N 2.85Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 WeakPolarHBondContact OD1-CB 3.45Å; D153-R155 WeakPolarHBondContact OD1-CG 3.49Å; D153-R155 IonicContact OD1-CZ 2.6Å; D153-R155 PolarHBondContact OD1-N 2.85Å; D153-R155 IonicContact OD1-NE 3.96Å; D153-R155 PolarHBondContact OD1-NE 3.46Å; D153-R155 VanDerWaalsContact OD1-NE 3.07Å; D153-R155 IonicContact OD1-NH2 3.91Å; D153-R155 IonicContact OD2-CZ 2.85Å; D153-R155 IonicContact OD2-NE 3.36Å; D153-R155 PolarHBondContact OD2-NE 2.89Å; D153-R155 IonicContact OD2-NH2 4Å; D153-R155 PolarHBondContact OD2-NH2 3.12Å; D153-C156 HydrophobicContact CB-CB 4.19Å; D153-C156 WeakPolarHBondContact O-CB 3.17Å; D153-C156 PolarHBondContact O-N 3.22Å; D153-Q157 WeakPolarHBondContact O-CG 3.23Å; D153-Q157 PolarHBondContact O-N 2.96Å
154E94.5Very high95.2Very high34 Ų3417.9 Ų17.916%0.1598%0.082CC..Hα-helixtrans-55.6-33.4-179.6-60.1-163.181.200113S7 L9 R59 C156 Q157 I158S7-E154 VanDerWaalsContact CB-OE2 3.23Å; S7-E154 WeakPolarHBondContact CB-OE2 3.5Å; L9-E154 HydrophobicContact CD1-CB 4.45Å; L9-E154 HydrophobicContact CD2-CB 3.75Å; L9-E154 HydrophobicContact CG-CB 4.37Å; R59-E154 IonicContact CZ-OE1 2.73Å; R59-E154 VanDerWaalsContact CZ-OE1 3.3Å; R59-E154 IonicContact NH1-OE1 3.53Å; R59-E154 PolarHBondContact NH1-OE1 3.43Å; R59-E154 IonicContact NH2-OE1 3.53Å; R59-E154 PolarHBondContact NH2-OE1 3.37Å; E154-C156 VanDerWaalsContact C-N 3.33Å; E154-C156 PolarHBondContact O-N 2.76Å; E154-Q157 PolarHBondContact O-N 3.1Å; E154-I158 WeakPolarHBondContact O-CB 3.45Å; E154-I158 WeakPolarHBondContact O-CD1 3.08Å; E154-I158 VanDerWaalsContact O-CG1 3.23Å; E154-I158 WeakPolarHBondContact O-CG1 3.39Å; E154-I158 PolarHBondContact O-N 3.14Å
155R95.2Very high95.3Very high105 Ų10517.4 Ų17.440%0.3968%0.08SC..Hα-helixtrans-64.5-41.1177.9-59.2174.1-65.2177.50.6111L9 Y13 I114 D153 I158 G159L9-R155 HydrophobicContact CD2-CG 4.48Å; Y13-R155 HydrophobicContact CD1-CB 4.49Å; Y13-R155 HydrophobicContact CD2-CG 3.98Å; Y13-R155 HydrophobicContact CE1-CB 3.89Å; Y13-R155 HydrophobicContact CE1-CG 4.37Å; Y13-R155 WeakPolarHBondContact CE1-O 3.48Å; Y13-R155 HydrophobicContact CE2-CB 3.95Å; Y13-R155 HydrophobicContact CE2-CG 3.65Å; Y13-R155 HydrophobicContact CG-CG 4.48Å; I114-R155 HydrophobicContact CD1-CB 4.3Å; D153-R155 PolarHBondContact O-N 2.85Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 WeakPolarHBondContact OD1-CB 3.45Å; D153-R155 WeakPolarHBondContact OD1-CG 3.49Å; D153-R155 IonicContact OD1-CZ 2.6Å; D153-R155 PolarHBondContact OD1-N 2.85Å; D153-R155 IonicContact OD1-NE 3.96Å; D153-R155 PolarHBondContact OD1-NE 3.46Å; D153-R155 VanDerWaalsContact OD1-NE 3.07Å; D153-R155 IonicContact OD1-NH2 3.91Å; D153-R155 IonicContact OD2-CZ 2.85Å; D153-R155 IonicContact OD2-NE 3.36Å; D153-R155 PolarHBondContact OD2-NE 2.89Å; D153-R155 IonicContact OD2-NH2 4Å; D153-R155 PolarHBondContact OD2-NH2 3.12Å; R155-I158 PolarHBondContact O-N 3.38Å; R155-G159 PolarHBondContact O-N 3.07Å
156C95.8Very high95.4Very high3 Ų317.7 Ų17.72%0.028%0.081CC..Hα-helixtrans-70.9-36.8175.8-67.20000112H120 F150 D153 E154 I158 G160 V161H120-C156 WeakPolarHBondContact CB-SG 3.23Å; F150-C156 HydrophobicContact CB-CB 4.45Å; F150-C156 WeakPolarHBondContact O-CB 3.39Å; D153-C156 HydrophobicContact CB-CB 4.19Å; D153-C156 WeakPolarHBondContact O-CB 3.17Å; D153-C156 PolarHBondContact O-N 3.22Å; E154-C156 VanDerWaalsContact C-N 3.33Å; E154-C156 PolarHBondContact O-N 2.76Å; C156-I158 VanDerWaalsContact C-N 3.3Å; C156-I158 PolarHBondContact O-N 3.44Å; C156-G160 WeakPolarHBondContact O-CA 3.26Å; C156-G160 PolarHBondContact O-N 3.28Å; C156-V161 HydrophobicContact CB-CG1 4.5Å
157Q96.2Very high95.5Very high5 Ų517.7 Ų17.72%0.0238%0.082CC..Hα-helixtrans-62.9-39.3175-64.21723.200111.6A52 I151 D153 E154A52-Q157 PolarHBondContact O-NE2 3.09Å; I151-Q157 WeakPolarHBondContact O-CG 3.36Å; I151-Q157 PolarHBondContact O-NE2 3.15Å; D153-Q157 WeakPolarHBondContact O-CG 3.23Å; D153-Q157 PolarHBondContact O-N 2.96Å; E154-Q157 PolarHBondContact O-N 3.1Å
158I96.9Very high95.6Very high2 Ų217.4 Ų17.41%0.018%0.084CC..Hα-helixtrans-82.4-56.1-177.3-64.1162.9000111.7L9 Y13 L16 A17 L21 E154 R155 C156L9-I158 HydrophobicContact CD1-CD1 3.55Å; L9-I158 HydrophobicContact CD2-CD1 3.96Å; L9-I158 HydrophobicContact CG-CD1 4.42Å; Y13-I158 HydrophobicContact CD1-CB 4.07Å; Y13-I158 HydrophobicContact CD1-CG2 3.93Å; L16-I158 HydrophobicContact CB-CG2 4.03Å; L16-I158 HydrophobicContact CD2-CG2 4.03Å; L16-I158 HydrophobicContact CG-CG2 4.05Å; A17-I158 HydrophobicContact CB-CD1 4.01Å; A17-I158 HydrophobicContact CB-CG1 4.03Å; A17-I158 HydrophobicContact CB-CG2 3.85Å; L21-I158 HydrophobicContact CD1-CB 4.2Å; L21-I158 HydrophobicContact CD1-CG1 4.04Å; L21-I158 HydrophobicContact CD1-CG2 4.07Å; E154-I158 WeakPolarHBondContact O-CB 3.45Å; E154-I158 WeakPolarHBondContact O-CD1 3.08Å; E154-I158 VanDerWaalsContact O-CG1 3.23Å; E154-I158 WeakPolarHBondContact O-CG1 3.39Å; E154-I158 PolarHBondContact O-N 3.14Å; R155-I158 PolarHBondContact O-N 3.38Å; C156-I158 VanDerWaalsContact C-N 3.3Å; C156-I158 PolarHBondContact O-N 3.44Å
159G96.6Very high95.7Very high3 Ų320 Ų203%0.03111%0.111CC..Hα-helixtrans-73.9-31.8-176.700000113.2R155 K200R155-G159 PolarHBondContact O-N 3.07Å; G159-K200 WeakPolarHBondContact O-CE 3.47Å
160G96.6Very high95.8Very high0 Ų019.7 Ų19.70%011%0.112CC..  trans84.5-174-16900000112.5H120 C156 R198H120-G160 PolarHBondContact N-O 3.39Å; C156-G160 WeakPolarHBondContact O-CA 3.26Å; C156-G160 PolarHBondContact O-N 3.28Å; G160-R198 CarbonylContact C-O 3.45Å; G160-R198 VanDerWaalsContact CA-O 3.23Å; G160-R198 WeakPolarHBondContact CA-O 3.44Å
161V96.8Very high95.8Very high4 Ų422.1 Ų22.12%0.02413%0.128CC..EExtended strand (participates in β ladder)trans-124149.1-174.3-58.30000111.7V119 H120 F122 F147 C156 R198 T199 K200V119-V161 VanDerWaalsContact CG1-C 3.46Å; H120-V161 CarbonylContact O-C 3.4Å; H120-V161 VanDerWaalsContact O-CA 3.23Å; H120-V161 WeakPolarHBondContact O-CA 3.31Å; F122-V161 HydrophobicContact CE2-CB 4.15Å; F122-V161 HydrophobicContact CE2-CG1 3.96Å; F147-V161 HydrophobicContact CE2-CB 4.41Å; F147-V161 HydrophobicContact CE2-CG1 4.13Å; F147-V161 HydrophobicContact CE2-CG2 4.15Å; F147-V161 HydrophobicContact CZ-CG1 4.06Å; F147-V161 HydrophobicContact CZ-CG2 3.98Å; C156-V161 HydrophobicContact CB-CG1 4.5Å; V161-R198 PolarHBondContact N-O 3Å; V161-T199 CarbonylContact O-C 3.51Å; V161-T199 WeakPolarHBondContact O-CA 3.5Å; V161-K200 PolarHBondContact O-N 3.26Å
162G97.2Very high95.7Very high0 Ų026.9 Ų26.90%016%0.158CC..EExtended strand (participates in β ladder)trans-124.9151.6166.600000110.3H120 I121 F122 H201H120-G162 PolarHBondContact O-N 2.92Å; I121-G162 WeakPolarHBondContact CA-O 3.34Å; F122-G162 PolarHBondContact N-O 3.28Å; G162-H201 CarbonylContact C-O 3.54Å; G162-H201 VanDerWaalsContact CA-O 3.26Å; G162-H201 WeakPolarHBondContact CA-O 3.23Å
163I97.6Very high95.7Very high32 Ų3229.1 Ų29.116%0.16417%0.166CC..EExtended strand (participates in β ladder)trans-126.2119.3178.9-49.3178.1000108.3F122 L124 I165 H201 L202 I203F122-I163 CarbonylContact O-C 3.43Å; F122-I163 WeakPolarHBondContact O-CA 3.5Å; L124-I163 HydrophobicContact CB-CG2 3.89Å; I163-I165 HydrophobicContact CB-CG1 4.31Å; I163-I165 HydrophobicContact CG2-CD1 4.44Å; I163-I165 HydrophobicContact CG2-CG1 3.69Å; I163-H201 PolarHBondContact N-O 3.14Å; I163-L202 HydrophobicContact CB-CD2 4.17Å; I163-L202 HydrophobicContact CD1-CD2 4.26Å; I163-L202 HydrophobicContact CG1-CD2 4.38Å; I163-I203 PolarHBondContact O-N 3.29Å
164F98.6Very high95.8Very high0 Ų028 Ų280%016%0.161CC..EExtended strand (participates in β ladder)trans-87.3114.2165.9-168.8-75.1000108.4F122 I123 L124 I203 Y205 I233 T237 M251 Y255F122-F164 PolarHBondContact O-N 3.45Å; I123-F164 CarbonylContact C-O 3.51Å; I123-F164 VanDerWaalsContact CA-O 3.25Å; I123-F164 WeakPolarHBondContact CA-O 3.22Å; I123-F164 HydrophobicContact CB-CB 4.5Å; I123-F164 HydrophobicContact CD1-CD1 3.92Å; I123-F164 HydrophobicContact CD1-CE1 4.39Å; I123-F164 HydrophobicContact CG1-CB 4.37Å; I123-F164 HydrophobicContact CG1-CD1 3.94Å; I123-F164 WeakPolarHBondContact CG1-O 3.34Å; L124-F164 PolarHBondContact N-O 2.96Å; F164-I203 HydrophobicContact CD2-CB 4.06Å; F164-I203 HydrophobicContact CD2-CD1 4.1Å; F164-I203 HydrophobicContact CD2-CG2 3.77Å; F164-I203 HydrophobicContact CE2-CG2 3.93Å; F164-Y205 AromaticContact CE1-CD1 3.7Å; F164-Y205 HydrophobicContact CE1-CD1 3.7Å; F164-Y205 HydrophobicContact CE1-CD2 4.5Å; F164-Y205 AromaticContact CE1-CG 3.64Å; F164-Y205 HydrophobicContact CE1-CG 3.64Å; F164-Y205 HydrophobicContact CZ-CD1 4.02Å; F164-Y205 HydrophobicContact CZ-CD2 4.04Å; F164-Y205 AromaticContact CZ-CG 3.6Å; F164-Y205 HydrophobicContact CZ-CG 3.6Å; F164-I233 HydrophobicContact CE2-CD1 3.76Å; F164-I233 HydrophobicContact CZ-CD1 3.86Å; F164-T237 HydrophobicContact CE2-CG2 4.48Å; F164-T237 HydrophobicContact CZ-CG2 4.08Å; F164-M251 HydrophobicContact CB-SD 4.49Å; F164-M251 HydrophobicContact CD1-CE 4.01Å; F164-M251 HydrophobicContact CD2-CE 3.58Å; F164-M251 HydrophobicContact CD2-SD 3.98Å; F164-M251 HydrophobicContact CE1-CE 3.98Å; F164-M251 HydrophobicContact CE2-CE 3.56Å; F164-M251 HydrophobicContact CE2-SD 4.44Å; F164-M251 HydrophobicContact CG-CE 3.81Å; F164-M251 HydrophobicContact CG-SD 4.24Å; F164-M251 HydrophobicContact CZ-CE 3.75Å; F164-Y255 AromaticContact CE1-CD1 3.76Å; F164-Y255 HydrophobicContact CE1-CD1 3.76Å; F164-Y255 HydrophobicContact CE1-CE1 4.08Å; F164-Y255 HydrophobicContact CZ-CD1 4.12Å
165I97.6Very high95.6Very high15 Ų1526.9 Ų26.98%0.07716%0.155CC..EExtended strand (participates in β ladder)trans-106.2101.1-171.5-55.7167.4000107.4L124 I163 L167 L202 I203 F204 Y205L124-I165 HydrophobicContact CD2-CG1 4.4Å; L124-I165 HydrophobicContact CD2-CG2 4.14Å; L124-I165 CarbonylContact O-C 3.58Å; I163-I165 HydrophobicContact CB-CG1 4.31Å; I163-I165 HydrophobicContact CG2-CD1 4.44Å; I163-I165 HydrophobicContact CG2-CG1 3.69Å; I165-L167 HydrophobicContact CG2-CD1 4.48Å; I165-L167 HydrophobicContact CG2-CD2 3.95Å; I165-L167 HydrophobicContact CG2-CG 4Å; I165-L202 HydrophobicContact CD1-CD2 4.36Å; I165-I203 PolarHBondContact N-O 3.1Å; I165-F204 HydrophobicContact CB-CD1 4.21Å; I165-F204 HydrophobicContact CB-CE1 4.45Å; I165-F204 HydrophobicContact CD1-CD1 4.04Å; I165-F204 HydrophobicContact CD1-CE1 3.52Å; I165-F204 HydrophobicContact CD1-CE2 4.22Å; I165-F204 HydrophobicContact CD1-CZ 3.64Å; I165-F204 HydrophobicContact CG2-CD1 4.26Å; I165-F204 HydrophobicContact CG2-CE1 4.37Å; I165-Y205 PolarHBondContact O-N 3.19Å
166D98Very high95.4Very high12 Ų1225.2 Ų25.26%0.06416%0.16CC..EExtended strand (participates in β ladder)trans-84112.4174.2176.128.1000110.4L124 R125 L126 S168 Y205 Y255L124-D166 PolarHBondContact O-N 3.22Å; R125-D166 HydrophobicContact CG-CB 4.32Å; L126-D166 PolarHBondContact N-O 3.41Å; D166-S168 WeakPolarHBondContact OD1-CB 3.49Å; D166-S168 PolarHBondContact OD1-N 3.27Å; D166-S168 PolarHBondContact OD1-OG 2.78Å; D166-Y205 HydrophobicContact CB-CD1 4.14Å; D166-Y205 VanDerWaalsContact OD1-CD1 3.3Å; D166-Y205 WeakPolarHBondContact OD1-CD1 3.25Å; D166-Y255 HydrophobicContact CB-CE1 4.02Å; D166-Y255 PolarHBondContact OD2-OH 3.22Å; D166-Y255 VanDerWaalsContact OD2-OH 3.12Å
167L96.7Very high95.3Very high1 Ų127.5 Ų27.51%0.00517%0.17CC..  trans-105.310.3177.8-61.1170.5000112.2L126 I165 G169 T170 F204 Y205 K206 E207 F211L126-L167 HydrophobicContact CB-CD2 4.02Å; L126-L167 HydrophobicContact CD2-CD2 3.6Å; L126-L167 HydrophobicContact CG-CD2 4.45Å; I165-L167 HydrophobicContact CG2-CD1 4.48Å; I165-L167 HydrophobicContact CG2-CD2 3.95Å; I165-L167 HydrophobicContact CG2-CG 4Å; L167-G169 PolarHBondContact O-N 3.33Å; L167-G169 VanDerWaalsContact O-N 3.16Å; L167-T170 HydrophobicContact CB-CG2 4.29Å; L167-T170 HydrophobicContact CD2-CG2 4.25Å; L167-T170 WeakPolarHBondContact O-CG2 3.31Å; L167-T170 PolarHBondContact O-N 2.77Å; L167-T170 PolarHBondContact O-OG1 2.9Å; L167-T170 VanDerWaalsContact O-OG1 3.13Å; L167-F204 HydrophobicContact CD1-CD1 4.01Å; L167-Y205 WeakPolarHBondContact CB-O 3.3Å; L167-Y205 PolarHBondContact N-O 2.99Å; L167-K206 CarbonylContact C-O 3.33Å; L167-E207 HydrophobicContact CD1-CB 3.64Å; L167-F211 HydrophobicContact CD1-CB 4.37Å; L167-F211 HydrophobicContact CD1-CD1 3.53Å; L167-F211 HydrophobicContact CD1-CD2 3.72Å; L167-F211 HydrophobicContact CD1-CE1 3.63Å; L167-F211 HydrophobicContact CD1-CE2 3.83Å; L167-F211 HydrophobicContact CD1-CG 3.58Å; L167-F211 HydrophobicContact CD1-CZ 3.8Å; L167-F211 HydrophobicContact CD2-CD2 4.18Å; L167-F211 HydrophobicContact CD2-CE2 4.23Å
168S96Very high94.9Very high29 Ų2928.6 Ų28.620%0.20317%0.174CC..THydrogen-bonded Turntrans-57.8119.6179.5-55.50000111.4K127 D166 T170 K206K127-S168 WeakPolarHBondContact CB-O 3.31Å; K127-S168 VanDerWaalsContact CD-O 3.32Å; K127-S168 WeakPolarHBondContact CD-O 3.49Å; D166-S168 WeakPolarHBondContact OD1-CB 3.49Å; D166-S168 PolarHBondContact OD1-N 3.27Å; D166-S168 PolarHBondContact OD1-OG 2.78Å; S168-T170 PolarHBondContact O-N 2.89Å; S168-K206 WeakPolarHBondContact OG-CB 3.39Å; S168-K206 WeakPolarHBondContact OG-CD 3.45Å
169G94.5Very high94.5Very high57 Ų5729.3 Ų29.359%0.58818%0.179SC*.THydrogen-bonded Turntrans65.124174.200000114.5L167L167-G169 PolarHBondContact O-N 3.33Å; L167-G169 VanDerWaalsContact O-N 3.16Å
170T95.3Very high94.1Very high15 Ų1531 Ų319%0.09219%0.187CC..  trans-66.2136.8171.954.30000111.1L126 K127 L167 S168 Q174L126-T170 HydrophobicContact CB-CG2 3.6Å; L126-T170 HydrophobicContact CD2-CG2 3.8Å; L126-T170 HydrophobicContact CG-CG2 3.76Å; K127-T170 HydrophobicContact CB-CG2 4.44Å; L167-T170 HydrophobicContact CB-CG2 4.29Å; L167-T170 HydrophobicContact CD2-CG2 4.25Å; L167-T170 WeakPolarHBondContact O-CG2 3.31Å; L167-T170 PolarHBondContact O-N 2.77Å; L167-T170 PolarHBondContact O-OG1 2.9Å; L167-T170 VanDerWaalsContact O-OG1 3.13Å; S168-T170 PolarHBondContact O-N 2.89Å; T170-Q174 VanDerWaalsContact CA-OE1 3.28Å
171T94.2Very high93.7Very high71 Ų7133.4 Ų33.444%0.43620%0.203SC..  trans-77.9160.1178.370.20000111.7K173 Q174 I175T171-K173 PolarHBondContact O-N 3.4Å; T171-Q174 PolarHBondContact O-N 3.22Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.47Å; T171-Q174 PolarHBondContact OG1-N 2.95Å; T171-Q174 PolarHBondContact OG1-OE1 2.64Å; T171-I175 WeakPolarHBondContact O-CG1 3.26Å; T171-I175 PolarHBondContact O-N 2.87Å
172T89.9Confident93.3Very high113 Ų11342.4 Ų42.469%0.69324%0.236SC*.Hα-helixtrans-59.2-36.3174.548.90000112.3I175 S176T172-I175 PolarHBondContact O-N 3.1Å; T172-S176 WeakPolarHBondContact O-CB 3.19Å; T172-S176 PolarHBondContact O-N 3.42Å; T172-S176 PolarHBondContact O-OG 2.9Å
173K92.4Very high92.8Very high78 Ų7843.6 Ų43.634%0.33924%0.243SC..Hα-helixtrans-62.4-47.3173.7-178.9179.5178.3-178.90112.3D132 T171 I175 S176 E177D132-K173 IonicContact OD1-NZ 3.58Å; D132-K173 PolarHBondContact OD1-NZ 2.95Å; D132-K173 IonicContact OD2-NZ 3.68Å; D132-K173 PolarHBondContact OD2-NZ 3.47Å; T171-K173 PolarHBondContact O-N 3.4Å; K173-I175 VanDerWaalsContact C-N 3.31Å; K173-I175 PolarHBondContact O-N 3.03Å; K173-S176 PolarHBondContact O-N 3.49Å; K173-S176 PolarHBondContact O-OG 2.84Å; K173-S176 VanDerWaalsContact O-OG 3.04Å; K173-E177 VanDerWaalsContact CE-OE1 3.25Å; K173-E177 WeakPolarHBondContact CE-OE1 3.37Å; K173-E177 WeakPolarHBondContact O-CB 3.44Å; K173-E177 WeakPolarHBondContact O-CG 3.22Å; K173-E177 PolarHBondContact O-N 3.14Å
174Q94.6Very high92.4Very high10 Ų1042.1 Ų42.15%0.04724%0.236CC..Hα-helixtrans-61.1-42.7176.6-74.5165.5-24.300111.2L126 K127 W129 P131 T170 T171 W178L126-Q174 HydrophobicContact CG-CB 4.46Å; L126-Q174 PolarHBondContact O-NE2 2.87Å; K127-Q174 PolarHBondContact O-NE2 3.11Å; K127-Q174 VanDerWaalsContact O-NE2 3.15Å; W129-Q174 HydrophobicContact CE3-CB 4.42Å; W129-Q174 HydrophobicContact CE3-CG 4.23Å; W129-Q174 HydrophobicContact CZ3-CB 4.38Å; W129-Q174 HydrophobicContact CZ3-CG 4.49Å; W129-Q174 PolarHBondContact O-NE2 2.87Å; P131-Q174 HydrophobicContact CG-CG 4.05Å; T170-Q174 VanDerWaalsContact CA-OE1 3.28Å; T171-Q174 PolarHBondContact O-N 3.22Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.47Å; T171-Q174 PolarHBondContact OG1-N 2.95Å; T171-Q174 PolarHBondContact OG1-OE1 2.64Å; Q174-W178 WeakPolarHBondContact O-CB 3.31Å; Q174-W178 PolarHBondContact O-N 3.46Å
175I91.8Very high91.9Very high9 Ų944.2 Ų44.25%0.04625%0.245CC..Hα-helixtrans-64.1-52.1178.1-66168.4000110.2T171 T172 K173 E177 W178 T179 S208 A210T171-I175 WeakPolarHBondContact O-CG1 3.26Å; T171-I175 PolarHBondContact O-N 2.87Å; T172-I175 PolarHBondContact O-N 3.1Å; K173-I175 VanDerWaalsContact C-N 3.31Å; K173-I175 PolarHBondContact O-N 3.03Å; I175-E177 VanDerWaalsContact C-N 3.34Å; I175-E177 PolarHBondContact O-N 3.32Å; I175-W178 PolarHBondContact O-N 3.04Å; I175-T179 HydrophobicContact CG2-CG2 4.21Å; I175-T179 WeakPolarHBondContact O-CB 2.92Å; I175-T179 WeakPolarHBondContact O-CG2 3.27Å; I175-T179 PolarHBondContact O-N 3.29Å; I175-T179 PolarHBondContact O-OG1 2.88Å; I175-S208 VanDerWaalsContact CD1-OG 3.29Å; I175-S208 WeakPolarHBondContact CD1-OG 3.12Å; I175-A210 HydrophobicContact CD1-CB 3.78Å
176S90.6Very high91.6Very high70 Ų7044.2 Ų44.249%0.4925%0.246SC..Hα-helixtrans-61-42.7-175.564.90000112.1T172 K173 D180T172-S176 WeakPolarHBondContact O-CB 3.19Å; T172-S176 PolarHBondContact O-N 3.42Å; T172-S176 PolarHBondContact O-OG 2.9Å; K173-S176 PolarHBondContact O-N 3.49Å; K173-S176 PolarHBondContact O-OG 2.84Å; K173-S176 VanDerWaalsContact O-OG 3.04Å; S176-D180 PolarHBondContact O-N 3.26Å
177E92.5Very high91.2Very high51 Ų5144.3 Ų44.324%0.23825%0.247CC..Hα-helixtrans-66.4-49.1174.5-73.3-171.4-137.600110.9W129 P131 Q136 K173 I175 T179 D180W129-E177 HydrophobicContact CH2-CB 3.68Å; W129-E177 HydrophobicContact CH2-CG 4.48Å; W129-E177 WeakPolarHBondContact CH2-OE2 3.37Å; W129-E177 HydrophobicContact CZ3-CB 4.26Å; P131-E177 WeakPolarHBondContact CB-OE1 3.43Å; Q136-E177 PolarHBondContact NE2-O 2.77Å; K173-E177 VanDerWaalsContact CE-OE1 3.25Å; K173-E177 WeakPolarHBondContact CE-OE1 3.37Å; K173-E177 WeakPolarHBondContact O-CB 3.44Å; K173-E177 WeakPolarHBondContact O-CG 3.22Å; K173-E177 PolarHBondContact O-N 3.14Å; I175-E177 VanDerWaalsContact C-N 3.34Å; I175-E177 PolarHBondContact O-N 3.32Å; E177-T179 PolarHBondContact O-N 3.41Å; E177-D180 WeakPolarHBondContact O-CB 2.99Å; E177-D180 PolarHBondContact O-N 2.95Å; E177-D180 VanDerWaalsContact O-N 3.13Å
178W89.4Confident90.8Very high29 Ų2945.2 Ų45.211%0.1125%0.252CS..Hα-helixtrans-59.3-34.5-179.1-175.4-94.2000112.8L124 L126 M139 R140 Q174 I175 F218L124-W178 HydrophobicContact CD1-CH2 4.08Å; L124-W178 HydrophobicContact CD2-CH2 3.45Å; L124-W178 VanDerWaalsContact CD2-CH2 3.45Å; L124-W178 HydrophobicContact CD2-CZ2 3.47Å; L124-W178 VanDerWaalsContact CD2-CZ2 3.47Å; L124-W178 HydrophobicContact CD2-CZ3 4.41Å; L124-W178 HydrophobicContact CG-CH2 4.39Å; L126-W178 HydrophobicContact CD1-CB 4.33Å; L126-W178 HydrophobicContact CD1-CD2 3.86Å; L126-W178 HydrophobicContact CD1-CE3 3.58Å; L126-W178 HydrophobicContact CD1-CG 4.18Å; L126-W178 HydrophobicContact CD1-CZ3 4.16Å; L126-W178 HydrophobicContact CD2-CB 4.24Å; L126-W178 HydrophobicContact CD2-CG 4.16Å; M139-W178 HydrophobicContact CE-CE3 3.85Å; M139-W178 HydrophobicContact CE-CZ3 3.57Å; M139-W178 HydrophobicContact SD-CZ3 4Å; R140-W178 VanDerWaalsContact NH1-CZ3 3.3Å; R140-W178 VanDerWaalsContact NH2-CE3 3.28Å; Q174-W178 WeakPolarHBondContact O-CB 3.31Å; Q174-W178 PolarHBondContact O-N 3.46Å; I175-W178 PolarHBondContact O-N 3.04Å; W178-F218 AromaticContact CD1-CE2 3.8Å; W178-F218 AromaticContact CD1-CZ 3.68Å; W178-F218 AromaticContact NE1-CE2 3.97Å; W178-F218 AromaticContact NE1-CZ 3.65Å; W178-F218 WeakPolarHBondContact O-CZ 3.29Å
179T87.6Confident90.5Very high17 Ų1745.3 Ų45.310%0.10425%0.249CC..THydrogen-bonded Turntrans-97.89.6-178.867.30000113.3I175 E177 P181 G214 F218I175-T179 HydrophobicContact CG2-CG2 4.21Å; I175-T179 WeakPolarHBondContact O-CB 2.92Å; I175-T179 WeakPolarHBondContact O-CG2 3.27Å; I175-T179 PolarHBondContact O-N 3.29Å; I175-T179 PolarHBondContact O-OG1 2.88Å; E177-T179 PolarHBondContact O-N 3.41Å; T179-P181 WeakPolarHBondContact O-CD 3.38Å; T179-G214 VanDerWaalsContact CG2-CA 3.49Å; T179-F218 HydrophobicContact CG2-CD2 4.38Å; T179-F218 HydrophobicContact CG2-CE2 3.63Å; T179-F218 HydrophobicContact CG2-CZ 4.45Å
180D89Confident90.4Very high39 Ų3943.4 Ų43.421%0.20923%0.225CC..  trans-53.9125.3177.6162.185.6000109.3S176 E177 R182 T183 A184S176-D180 PolarHBondContact O-N 3.26Å; E177-D180 WeakPolarHBondContact O-CB 2.99Å; E177-D180 PolarHBondContact O-N 2.95Å; E177-D180 VanDerWaalsContact O-N 3.13Å; D180-R182 PolarHBondContact O-N 3.36Å; D180-R182 VanDerWaalsContact O-N 3.1Å; D180-R182 IonicContact OD1-NE 2.83Å; D180-R182 WeakPolarHBondContact OD2-CB 3.03Å; D180-R182 PolarHBondContact OD2-N 2.82Å; D180-R182 VanDerWaalsContact OD2-N 3.11Å; D180-R182 IonicContact OD2-NE 3.07Å; D180-T183 WeakPolarHBondContact CB-OG1 3.48Å; D180-T183 PolarHBondContact O-N 2.83Å; D180-T183 VanDerWaalsContact O-N 3.11Å; D180-T183 PolarHBondContact O-OG1 3.32Å; D180-T183 WeakPolarHBondContact OD2-CG2 3.26Å; D180-T183 PolarHBondContact OD2-N 3.21Å; D180-T183 PolarHBondContact OD2-OG1 3.38Å; D180-A184 VanDerWaalsContact O-CB 3.26Å; D180-A184 WeakPolarHBondContact O-CB 3.34Å; D180-A184 PolarHBondContact O-N 3.05Å
181P87.7Confident90.2Very high50 Ų5044.7 Ų44.733%0.32523%0.231SC..Hα-helixtrans-55-35.5-172-31.436.7000114.5T179 K185 W221 M307T179-P181 WeakPolarHBondContact O-CD 3.38Å; P181-K185 WeakPolarHBondContact O-CB 3.25Å; P181-K185 PolarHBondContact O-N 3.19Å; P181-W221 HydrophobicContact CB-CH2 4.12Å; P181-W221 VanDerWaalsContact O-CH2 3.23Å; P181-W221 WeakPolarHBondContact O-CH2 3.32Å; P181-M307 HydrophobicContact CB-CE 4.28Å; P181-M307 HydrophobicContact CG-CE 4.12Å
182R87.2Confident90Very high193 Ų19342.3 Ų42.373%0.72822%0.215SC*.Hα-helixtrans-67.6-48.4179.8-62.8177.6-68.8177.5-2.6110.3D180 S186D180-R182 PolarHBondContact O-N 3.36Å; D180-R182 VanDerWaalsContact O-N 3.1Å; D180-R182 IonicContact OD1-NE 2.83Å; D180-R182 WeakPolarHBondContact OD2-CB 3.03Å; D180-R182 PolarHBondContact OD2-N 2.82Å; D180-R182 VanDerWaalsContact OD2-N 3.11Å; D180-R182 IonicContact OD2-NE 3.07Å; R182-S186 VanDerWaalsContact O-CB 3.26Å; R182-S186 WeakPolarHBondContact O-CB 3.29Å; R182-S186 PolarHBondContact O-N 3.09Å; R182-S186 VanDerWaalsContact O-N 3.14Å; R182-S186 PolarHBondContact O-OG 3.32Å
183T88Confident90Very high25 Ų2537.9 Ų37.915%0.15319%0.186CC..Hα-helixtrans-74.7-34.2-177.864.60000112.1W89 Q136 D180 S186 S187W89-T183 WeakPolarHBondContact CH2-O 3.23Å; W89-T183 HydrophobicContact CZ2-CG2 4.35Å; Q136-T183 PolarHBondContact OE1-OG1 3.15Å; D180-T183 WeakPolarHBondContact CB-OG1 3.48Å; D180-T183 PolarHBondContact O-N 2.83Å; D180-T183 VanDerWaalsContact O-N 3.11Å; D180-T183 PolarHBondContact O-OG1 3.32Å; D180-T183 WeakPolarHBondContact OD2-CG2 3.26Å; D180-T183 PolarHBondContact OD2-N 3.21Å; D180-T183 PolarHBondContact OD2-OG1 3.38Å; T183-S186 WeakPolarHBondContact O-CB 3.39Å; T183-S187 WeakPolarHBondContact O-CB 3.4Å; T183-S187 PolarHBondContact O-N 2.89Å; T183-S187 PolarHBondContact O-OG 2.56Å
184A87.9Confident90Very high0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-65.4-48.4174.200000111.3D180 S186 S187 M188 V217 F218 W221D180-A184 VanDerWaalsContact O-CB 3.26Å; D180-A184 WeakPolarHBondContact O-CB 3.34Å; D180-A184 PolarHBondContact O-N 3.05Å; A184-S186 VanDerWaalsContact C-N 3.32Å; A184-S186 PolarHBondContact O-N 3.48Å; A184-S187 PolarHBondContact O-N 3.07Å; A184-M188 WeakPolarHBondContact O-CG 3.46Å; A184-M188 PolarHBondContact O-N 3.07Å; A184-V217 HydrophobicContact CB-CG1 4.26Å; A184-F218 HydrophobicContact CB-CD1 4.12Å; A184-F218 HydrophobicContact CB-CE1 3.62Å; A184-F218 HydrophobicContact CB-CZ 4.05Å; A184-W221 HydrophobicContact CB-CE3 4.44Å; A184-W221 HydrophobicContact CB-CZ3 3.82Å
185K89.1Confident90Very high45 Ų4534.2 Ų34.220%0.19617%0.172CC..Hα-helixtrans-53.8-50.5174-178.6-179.1-177.9177.40111.3P181 S187 M188 K189 W221 Y304 D306P181-K185 WeakPolarHBondContact O-CB 3.25Å; P181-K185 PolarHBondContact O-N 3.19Å; K185-S187 PolarHBondContact O-N 3.32Å; K185-M188 PolarHBondContact O-N 2.83Å; K185-K189 VanDerWaalsContact O-CB 3.31Å; K185-K189 WeakPolarHBondContact O-CB 3.39Å; K185-K189 PolarHBondContact O-N 2.81Å; K185-W221 HydrophobicContact CB-CD2 4.23Å; K185-W221 HydrophobicContact CB-CE3 4.21Å; K185-W221 HydrophobicContact CB-CH2 3.72Å; K185-W221 HydrophobicContact CB-CZ2 3.72Å; K185-W221 HydrophobicContact CB-CZ3 3.95Å; K185-W221 HydrophobicContact CD-CZ2 4.23Å; K185-W221 HydrophobicContact CG-CD2 4.49Å; K185-W221 HydrophobicContact CG-CZ2 4.05Å; K185-Y304 WeakPolarHBondContact CE-O 3.11Å; K185-Y304 PolarHBondContact NZ-O 3.3Å; K185-D306 IonicContact NZ-OD1 3.2Å; K185-D306 PolarHBondContact NZ-OD1 3.06Å; K185-D306 IonicContact NZ-OD2 3.95Å
186S91Very high89.9Confident14 Ų1434 Ų3410%0.09817%0.17CC..Hα-helixtrans-58.7-43.7176.8-86.80000113.6H84 I86 R182 T183 A184 K189 L190H84-S186 PolarHBondContact O-OG 3.44Å; I86-S186 VanDerWaalsContact CG2-OG 3.23Å; I86-S186 WeakPolarHBondContact CG2-OG 3.35Å; R182-S186 VanDerWaalsContact O-CB 3.26Å; R182-S186 WeakPolarHBondContact O-CB 3.29Å; R182-S186 PolarHBondContact O-N 3.09Å; R182-S186 VanDerWaalsContact O-N 3.14Å; R182-S186 PolarHBondContact O-OG 3.32Å; T183-S186 WeakPolarHBondContact O-CB 3.39Å; A184-S186 VanDerWaalsContact C-N 3.32Å; A184-S186 PolarHBondContact O-N 3.48Å; S186-K189 PolarHBondContact O-N 3.4Å; S186-L190 WeakPolarHBondContact O-CB 3.37Å; S186-L190 PolarHBondContact O-N 3.06Å
187S89.9Confident89.8Confident14 Ų1431.2 Ų31.210%0.09815%0.153CC..Hα-helixtrans-65.1-42.5176.6-60.80000111.7W89 T183 A184 K185 L190 L191W89-S187 VanDerWaalsContact CH2-OG 3.31Å; W89-S187 WeakPolarHBondContact CH2-OG 3.41Å; T183-S187 WeakPolarHBondContact O-CB 3.4Å; T183-S187 PolarHBondContact O-N 2.89Å; T183-S187 PolarHBondContact O-OG 2.56Å; A184-S187 PolarHBondContact O-N 3.07Å; K185-S187 PolarHBondContact O-N 3.32Å; S187-L190 PolarHBondContact O-N 3.12Å; S187-L191 WeakPolarHBondContact O-CB 3.46Å; S187-L191 PolarHBondContact O-N 3.5Å
188M88.7Confident89.8Confident21 Ų2129.8 Ų29.810%0.10315%0.146CC..Hα-helixtrans-66.4-39177.7-68.3-5696.100111.9A184 K185 L191 Q192 F218 W221 L222 Y304A184-M188 WeakPolarHBondContact O-CG 3.46Å; A184-M188 PolarHBondContact O-N 3.07Å; K185-M188 PolarHBondContact O-N 2.83Å; M188-L191 HydrophobicContact CE-CD2 4.27Å; M188-L191 PolarHBondContact O-N 3.32Å; M188-Q192 VanDerWaalsContact O-CB 3.29Å; M188-Q192 WeakPolarHBondContact O-CB 3.43Å; M188-Q192 WeakPolarHBondContact O-CG 3.4Å; M188-Q192 PolarHBondContact O-N 2.85Å; M188-F218 HydrophobicContact CE-CD1 3.84Å; M188-F218 HydrophobicContact CE-CE1 4.11Å; M188-F218 HydrophobicContact CG-CD1 4.19Å; M188-F218 HydrophobicContact SD-CD1 4.08Å; M188-W221 HydrophobicContact CB-CB 3.98Å; M188-W221 HydrophobicContact CG-CB 4.02Å; M188-L222 HydrophobicContact SD-CD2 3.43Å; M188-L222 WeakPolarHBondContact SD-CD2 3.24Å; M188-L222 HydrophobicContact SD-CG 4.22Å; M188-Y304 HydrophobicContact CB-CE1 4.38Å
189K90.3Very high90Very high31 Ų3128.7 Ų28.714%0.13514%0.142CC..Hα-helixtrans-63.7-45.5174.8-172.8170.3175.2168.60111.6I78 H84 K185 S186 E193 M301 Y304I78-K189 HydrophobicContact CD1-CB 4.42Å; I78-K189 HydrophobicContact CD1-CD 4.44Å; I78-K189 HydrophobicContact CD1-CG 3.94Å; H84-K189 PolarHBondContact ND1-NZ 3.33Å; K185-K189 VanDerWaalsContact O-CB 3.31Å; K185-K189 WeakPolarHBondContact O-CB 3.39Å; K185-K189 PolarHBondContact O-N 2.81Å; S186-K189 PolarHBondContact O-N 3.4Å; K189-E193 HydrophobicContact CG-CG 4.33Å; K189-E193 VanDerWaalsContact O-CB 3.22Å; K189-E193 WeakPolarHBondContact O-CB 3.47Å; K189-E193 PolarHBondContact O-N 3.39Å; K189-M301 HydrophobicContact CD-SD 4.11Å; K189-M301 WeakPolarHBondContact CE-SD 3.45Å; K189-M301 HydrophobicContact CG-SD 4.08Å; K189-Y304 HydrophobicContact CB-CD2 4.38Å; K189-Y304 HydrophobicContact CB-CE2 4.32Å; K189-Y304 HydrophobicContact CD-CD2 4.33Å; K189-Y304 HydrophobicContact CG-CD2 4.2Å; K189-Y304 HydrophobicContact CG-CE2 4.17Å
190L91.9Very high90.4Very high17 Ų1730.6 Ų30.69%0.08915%0.149CC..Iπ-helixtrans-57.2-52.7173.4174.755.7000111.4I78 I86 W89 Y90 S186 S187 Q192 A194 T195I78-L190 HydrophobicContact CD1-CB 4.26Å; I78-L190 HydrophobicContact CG2-CD1 4.26Å; I86-L190 HydrophobicContact CD1-CB 4.25Å; I86-L190 HydrophobicContact CD1-CD2 4.42Å; W89-L190 HydrophobicContact CE3-CD2 4.45Å; Y90-L190 WeakPolarHBondContact OH-CD1 3.11Å; S186-L190 WeakPolarHBondContact O-CB 3.37Å; S186-L190 PolarHBondContact O-N 3.06Å; S187-L190 PolarHBondContact O-N 3.12Å; L190-Q192 PolarHBondContact O-N 3.11Å; L190-A194 HydrophobicContact CD1-CB 3.99Å; L190-A194 PolarHBondContact O-N 3.01Å; L190-T195 PolarHBondContact O-N 3.31Å; L190-T195 VanDerWaalsContact O-N 3.1Å; L190-T195 PolarHBondContact O-OG1 2.75Å
191L89.8Confident90.8Very high42 Ų4230.4 Ų30.422%0.2215%0.147CC..Iπ-helixtrans-61.4-41.1-177.1-170.763.9000113S187 M188 T199S187-L191 WeakPolarHBondContact O-CB 3.46Å; S187-L191 PolarHBondContact O-N 3.5Å; M188-L191 HydrophobicContact CE-CD2 4.27Å; M188-L191 PolarHBondContact O-N 3.32Å; L191-T199 VanDerWaalsContact CD1-OG1 3.27Å; L191-T199 WeakPolarHBondContact CD1-OG1 3.33Å
192Q90.6Very high91.2Very high20 Ų2028.7 Ų28.79%0.09314%0.135CC..Iπ-helixtrans-93.9-27.5-172.1-67.7-176.9102.100113.9R71 M188 L190 W221 S223 M226 Y304R71-Q192 VanDerWaalsContact CZ-O 3.28Å; R71-Q192 VanDerWaalsContact NH1-C 3.29Å; R71-Q192 PolarHBondContact NH1-O 2.86Å; R71-Q192 PolarHBondContact NH2-O 3.38Å; M188-Q192 VanDerWaalsContact O-CB 3.29Å; M188-Q192 WeakPolarHBondContact O-CB 3.43Å; M188-Q192 WeakPolarHBondContact O-CG 3.4Å; M188-Q192 PolarHBondContact O-N 2.85Å; L190-Q192 PolarHBondContact O-N 3.11Å; Q192-W221 PolarHBondContact NE2-O 3.32Å; Q192-S223 PolarHBondContact OE1-OG 3.19Å; Q192-M226 HydrophobicContact CG-CG 4.21Å; Q192-Y304 VanDerWaalsContact CB-OH 3.3Å; Q192-Y304 WeakPolarHBondContact CB-OH 3.49Å; Q192-Y304 PolarHBondContact NE2-OH 2.88Å
193E90.3Very high91.7Very high20 Ų2019.5 Ų19.59%0.09310%0.1CC..Iπ-helixtrans-112.5-22.6-170.9-54.9-59.7147.500115.5R71 N74 K189 M301 Y304R71-E193 VanDerWaalsContact CD-O 3.27Å; R71-E193 WeakPolarHBondContact CD-O 3.45Å; R71-E193 PolarHBondContact NE-O 3.32Å; R71-E193 VanDerWaalsContact NH1-CA 3.34Å; R71-E193 PolarHBondContact NH1-O 3.04Å; N74-E193 VanDerWaalsContact CB-O 3.3Å; N74-E193 WeakPolarHBondContact CB-O 3.24Å; N74-E193 PolarHBondContact ND2-O 2.84Å; N74-E193 VanDerWaalsContact ND2-O 3.17Å; K189-E193 HydrophobicContact CG-CG 4.33Å; K189-E193 VanDerWaalsContact O-CB 3.22Å; K189-E193 WeakPolarHBondContact O-CB 3.47Å; K189-E193 PolarHBondContact O-N 3.39Å; E193-M301 HydrophobicContact CB-CG 3.93Å; E193-M301 HydrophobicContact CG-CG 4.09Å; E193-Y304 HydrophobicContact CG-CE2 3.71Å; E193-Y304 PolarHBondContact OE1-OH 3.43Å
194A93.2Very high92.1Very high0 Ų019.1 Ų19.10%010%0.097CC..Iπ-helixtrans-123.3-42.4-166.100000114.2R71 N74 F75 I78 L190R71-A194 WeakPolarHBondContact CD-O 3.32Å; N74-A194 HydrophobicContact CB-CB 4.49Å; F75-A194 WeakPolarHBondContact CB-O 3.23Å; F75-A194 WeakPolarHBondContact CD2-O 3.47Å; I78-A194 HydrophobicContact CB-CB 4.47Å; I78-A194 HydrophobicContact CD1-CB 4.38Å; I78-A194 HydrophobicContact CG2-CB 3.75Å; L190-A194 HydrophobicContact CD1-CB 3.99Å; L190-A194 PolarHBondContact O-N 3.01Å
195T92.7Very high92.6Very high12 Ų1219.9 Ų19.97%0.07410%0.1CC..  trans-65.2132.3-175.3-54.80000111.9F147 I151 L190 G197F147-T195 HydrophobicContact CE1-CG2 3.68Å; F147-T195 HydrophobicContact CZ-CG2 4.46Å; I151-T195 HydrophobicContact CD1-CG2 4.16Å; L190-T195 PolarHBondContact O-N 3.31Å; L190-T195 VanDerWaalsContact O-N 3.1Å; L190-T195 PolarHBondContact O-OG1 2.75Å; T195-G197 PolarHBondContact O-N 3.34Å
196P91.5Very high92.9Very high3 Ų322.1 Ų22.12%0.01911%0.109CC..SBendtrans-77.99.1177.532.7-37.9000113.9F57 I151F57-P196 HydrophobicContact CD1-CB 3.91Å; F57-P196 HydrophobicContact CD2-CB 4.2Å; F57-P196 HydrophobicContact CE1-CB 3.76Å; F57-P196 HydrophobicContact CE1-CG 4.16Å; F57-P196 HydrophobicContact CE2-CB 4.06Å; F57-P196 HydrophobicContact CE2-CG 4.14Å; F57-P196 HydrophobicContact CG-CB 4.11Å; F57-P196 HydrophobicContact CZ-CB 3.85Å; F57-P196 HydrophobicContact CZ-CG 3.83Å; I151-P196 HydrophobicContact CG1-CG 4.41Å; I151-P196 HydrophobicContact CG2-CG 3.48Å; I151-P196 VanDerWaalsContact CG2-CG 3.48Å
197G87.5Confident92.9Very high13 Ų1323 Ų2313%0.13411%0.112CC..SBendtrans-100.6157.5175.400000111.7T195T195-G197 PolarHBondContact O-N 3.34Å
198R92.1Very high92.8Very high20 Ų2024.1 Ų24.18%0.07512%0.12CC..  trans-108.5118.2171.8-61.6-167.6-165.191.1-11110.5L21 R59 Y60 H62 G160 V161 K200L21-R198 VanDerWaalsContact CD2-NH2 3.35Å; R59-R198 PolarHBondContact O-NH2 2.8Å; Y60-R198 HydrophobicContact CD2-CG 3.97Å; Y60-R198 HydrophobicContact CE2-CG 4.19Å; Y60-R198 PolarHBondContact O-NE 3.5Å; Y60-R198 PolarHBondContact O-NH2 2.84Å; H62-R198 PolarHBondContact CD2-NH2 3.1Å; H62-R198 PolarHBondContact NE2-NH2 3.15Å; G160-R198 CarbonylContact C-O 3.45Å; G160-R198 VanDerWaalsContact CA-O 3.23Å; G160-R198 WeakPolarHBondContact CA-O 3.44Å; V161-R198 PolarHBondContact N-O 3Å; R198-K200 PolarHBondContact O-N 3.15Å
199T94.2Very high92.6Very high6 Ų632 Ų324%0.03715%0.153CC..EExtended strand (participates in β ladder)trans-68.4117.2168.4-49.30000109.8V161 L191 L202 R229V161-T199 CarbonylContact O-C 3.51Å; V161-T199 WeakPolarHBondContact O-CA 3.5Å; L191-T199 VanDerWaalsContact CD1-OG1 3.27Å; L191-T199 WeakPolarHBondContact CD1-OG1 3.33Å; T199-L202 HydrophobicContact CG2-CD1 4.4Å; T199-L202 HydrophobicContact CG2-CD2 3.68Å; T199-L202 HydrophobicContact CG2-CG 3.77Å; T199-R229 WeakPolarHBondContact O-CD 3.37Å; T199-R229 VanDerWaalsContact O-CZ 3.29Å; T199-R229 PolarHBondContact O-NE 3.25Å; T199-R229 PolarHBondContact O-NH1 3.33Å
200K96.3Very high92.2Very high57 Ų5732.4 Ų32.425%0.24816%0.163CC..EExtended strand (participates in β ladder)trans-97.7-33.3179.6-63.5-69-170.7161.20112.3V119 G159 V161 R198 R229V119-K200 HydrophobicContact CG1-CB 3.95Å; V119-K200 HydrophobicContact CG1-CG 4.17Å; V119-K200 HydrophobicContact CG2-CB 4Å; V119-K200 HydrophobicContact CG2-CG 3.83Å; G159-K200 WeakPolarHBondContact O-CE 3.47Å; V161-K200 PolarHBondContact O-N 3.26Å; R198-K200 PolarHBondContact O-N 3.15Å; K200-R229 WeakPolarHBondContact O-CB 3.45Å; K200-R229 WeakPolarHBondContact O-CG 3.3Å
201H97.2Very high92Very high35 Ų3531.7 Ų31.716%0.16216%0.159CC..EExtended strand (participates in β ladder)trans-140134.4-178-53.2-62.9000111.1G162 I163 I203 I244G162-H201 CarbonylContact C-O 3.54Å; G162-H201 VanDerWaalsContact CA-O 3.26Å; G162-H201 WeakPolarHBondContact CA-O 3.23Å; I163-H201 PolarHBondContact N-O 3.14Å; H201-I203 HydrophobicContact CB-CD1 4.37Å; H201-I203 HydrophobicContact CB-CG1 4.18Å; H201-I244 HydrophobicContact CB-CD1 4.1Å
202L96.2Very high91.9Very high15 Ų1532.5 Ų32.58%0.07916%0.163CC..EExtended strand (participates in β ladder)trans-121.8101.3164.9-67.7175.5000107.5I163 I165 T199 F204 R229 I230 I231I163-L202 HydrophobicContact CB-CD2 4.17Å; I163-L202 HydrophobicContact CD1-CD2 4.26Å; I163-L202 HydrophobicContact CG1-CD2 4.38Å; I165-L202 HydrophobicContact CD1-CD2 4.36Å; T199-L202 HydrophobicContact CG2-CD1 4.4Å; T199-L202 HydrophobicContact CG2-CD2 3.68Å; T199-L202 HydrophobicContact CG2-CG 3.77Å; L202-F204 HydrophobicContact CB-CE2 3.97Å; L202-R229 PolarHBondContact N-O 3.26Å; L202-I230 HydrophobicContact CB-CG1 4.4Å; L202-I230 HydrophobicContact CD1-CG1 4.46Å; L202-I230 CarbonylContact O-C 3.31Å; L202-I230 WeakPolarHBondContact O-CA 3.47Å; L202-I231 PolarHBondContact O-N 3.1Å
203I97.9Very high91.5Very high0 Ų036.5 Ų36.50%018%0.184CC..EExtended strand (participates in β ladder)trans-102.2115.1-172.8-51.3159.1000107.6I163 F164 I165 H201 I231 I233 A240 I244 L247I163-I203 PolarHBondContact O-N 3.29Å; F164-I203 HydrophobicContact CD2-CB 4.06Å; F164-I203 HydrophobicContact CD2-CD1 4.1Å; F164-I203 HydrophobicContact CD2-CG2 3.77Å; F164-I203 HydrophobicContact CE2-CG2 3.93Å; I165-I203 PolarHBondContact N-O 3.1Å; H201-I203 HydrophobicContact CB-CD1 4.37Å; H201-I203 HydrophobicContact CB-CG1 4.18Å; I203-I231 CarbonylContact C-O 3.48Å; I203-I231 VanDerWaalsContact CA-O 3.27Å; I203-I231 WeakPolarHBondContact CA-O 3.26Å; I203-I231 HydrophobicContact CG1-CB 4.37Å; I203-I231 HydrophobicContact CG1-CD1 4.22Å; I203-I233 HydrophobicContact CG2-CD1 3.95Å; I203-I233 HydrophobicContact CG2-CG1 4.08Å; I203-I233 HydrophobicContact CG2-CG2 4.14Å; I203-A240 HydrophobicContact CG2-CB 4.06Å; I203-I244 HydrophobicContact CD1-CD1 3.55Å; I203-I244 HydrophobicContact CG1-CD1 4.12Å; I203-L247 HydrophobicContact CD1-CD2 4.02Å
204F96.8Very high91.1Very high17 Ų1735.7 Ų35.78%0.07518%0.182CC..EExtended strand (participates in β ladder)trans-99121.9180-67.8-92.1000110.4I165 L167 L202 F211 F215 I230 I231 R232 I233I165-F204 HydrophobicContact CB-CD1 4.21Å; I165-F204 HydrophobicContact CB-CE1 4.45Å; I165-F204 HydrophobicContact CD1-CD1 4.04Å; I165-F204 HydrophobicContact CD1-CE1 3.52Å; I165-F204 HydrophobicContact CD1-CE2 4.22Å; I165-F204 HydrophobicContact CD1-CZ 3.64Å; I165-F204 HydrophobicContact CG2-CD1 4.26Å; I165-F204 HydrophobicContact CG2-CE1 4.37Å; L167-F204 HydrophobicContact CD1-CD1 4.01Å; L202-F204 HydrophobicContact CB-CE2 3.97Å; F204-F211 AromaticContact CD1-CE1 3.65Å; F204-F211 HydrophobicContact CD1-CE1 3.65Å; F204-F211 AromaticContact CD1-CZ 3.77Å; F204-F211 HydrophobicContact CD1-CZ 3.77Å; F204-F211 AromaticContact CE1-CE1 3.76Å; F204-F211 HydrophobicContact CE1-CE1 3.76Å; F204-F211 AromaticContact CE1-CZ 3.47Å; F204-F211 HydrophobicContact CE1-CZ 3.47Å; F204-F211 VanDerWaalsContact CE1-CZ 3.47Å; F204-F211 HydrophobicContact CZ-CZ 4.49Å; F204-F215 HydrophobicContact CE1-CD2 4.5Å; F204-F215 AromaticContact CE2-CE2 4Å; F204-F215 HydrophobicContact CE2-CE2 4Å; F204-F215 HydrophobicContact CZ-CD2 4.32Å; F204-F215 AromaticContact CZ-CE2 4Å; F204-F215 HydrophobicContact CZ-CE2 4Å; F204-I230 HydrophobicContact CD2-CG2 3.83Å; F204-I230 HydrophobicContact CE2-CG1 4.4Å; F204-I230 HydrophobicContact CE2-CG2 3.83Å; F204-I231 PolarHBondContact N-O 3.12Å; F204-R232 HydrophobicContact CB-CG 4.27Å; F204-R232 HydrophobicContact CD2-CG 4.4Å; F204-I233 WeakPolarHBondContact O-CG1 3.46Å; F204-I233 PolarHBondContact O-N 2.9Å
205Y97.8Very high90.8Very high16 Ų1636.3 Ų36.36%0.06318%0.184CC..EExtended strand (participates in β ladder)trans-118.5132.8-176.9177.1-116.7000111F164 I165 D166 L167 E207 I233 K234 T237 Y255F164-Y205 AromaticContact CE1-CD1 3.7Å; F164-Y205 HydrophobicContact CE1-CD1 3.7Å; F164-Y205 HydrophobicContact CE1-CD2 4.5Å; F164-Y205 AromaticContact CE1-CG 3.64Å; F164-Y205 HydrophobicContact CE1-CG 3.64Å; F164-Y205 HydrophobicContact CZ-CD1 4.02Å; F164-Y205 HydrophobicContact CZ-CD2 4.04Å; F164-Y205 AromaticContact CZ-CG 3.6Å; F164-Y205 HydrophobicContact CZ-CG 3.6Å; I165-Y205 PolarHBondContact O-N 3.19Å; D166-Y205 HydrophobicContact CB-CD1 4.14Å; D166-Y205 VanDerWaalsContact OD1-CD1 3.3Å; D166-Y205 WeakPolarHBondContact OD1-CD1 3.25Å; L167-Y205 WeakPolarHBondContact CB-O 3.3Å; L167-Y205 PolarHBondContact N-O 2.99Å; Y205-E207 PolarHBondContact O-N 3.28Å; Y205-I233 HydrophobicContact CD2-CD1 3.71Å; Y205-I233 HydrophobicContact CD2-CG1 4.16Å; Y205-I233 HydrophobicContact CG-CD1 4.28Å; Y205-K234 CarbonylContact C-O 3.57Å; Y205-K234 WeakPolarHBondContact CA-O 3.48Å; Y205-K234 WeakPolarHBondContact CD2-O 3.42Å; Y205-T237 HydrophobicContact CD2-CG2 4.01Å; Y205-T237 HydrophobicContact CE2-CG2 3.67Å; Y205-Y255 HydrophobicContact CD1-CD1 4.01Å; Y205-Y255 AromaticContact CD1-CE1 3.98Å; Y205-Y255 HydrophobicContact CD1-CE1 3.98Å; Y205-Y255 AromaticContact CE1-CD1 3.65Å; Y205-Y255 HydrophobicContact CE1-CD1 3.65Å; Y205-Y255 AromaticContact CE1-CE1 3.74Å; Y205-Y255 HydrophobicContact CE1-CE1 3.74Å
206K95.4Very high90.5Very high92 Ų9242.5 Ų42.540%0.421%0.21SC..SBendtrans46.346.2178.7-74.8-179.6171.5168.80113.6L167 S168 K234 D235L167-K206 CarbonylContact C-O 3.33Å; S168-K206 WeakPolarHBondContact OG-CB 3.39Å; S168-K206 WeakPolarHBondContact OG-CD 3.45Å; K206-K234 PolarHBondContact N-O 2.98Å; K206-D235 HydrophobicContact CD-CB 4.43Å; K206-D235 HydrophobicContact CG-CB 3.89Å
207E90.1Very high90Very high31 Ų3142.4 Ų42.415%0.14521%0.21CC..  trans-63.4138.6172.967.2-157.5167.700111.7L167 Y205 F211 R232L167-E207 HydrophobicContact CD1-CB 3.64Å; Y205-E207 PolarHBondContact O-N 3.28Å; E207-F211 HydrophobicContact CB-CB 4.41Å; E207-F211 HydrophobicContact CB-CD1 3.81Å; E207-F211 HydrophobicContact CB-CG 4.39Å; E207-R232 VanDerWaalsContact CD-NE 3.25Å; E207-R232 IonicContact OE1-CZ 3.47Å; E207-R232 IonicContact OE1-NE 3.04Å; E207-R232 PolarHBondContact OE1-NE 2.74Å; E207-R232 IonicContact OE1-NH2 3.34Å; E207-R232 PolarHBondContact OE1-NH2 2.64Å; E207-R232 IonicContact OE2-CZ 3.51Å; E207-R232 IonicContact OE2-NE 3.15Å; E207-R232 PolarHBondContact OE2-NE 3.31Å; E207-R232 IonicContact OE2-NH2 2.76Å; E207-R232 PolarHBondContact OE2-NH2 3.37Å
208S88Confident89.8Confident39 Ų3942.7 Ų42.727%0.27321%0.207SC..  trans-87.2161.7176.369.30000111.2I175 A210 F211 D212I175-S208 VanDerWaalsContact CD1-OG 3.29Å; I175-S208 WeakPolarHBondContact CD1-OG 3.12Å; S208-A210 PolarHBondContact O-N 2.94Å; S208-F211 WeakPolarHBondContact O-CA 3.36Å; S208-F211 VanDerWaalsContact O-CB 3.31Å; S208-F211 WeakPolarHBondContact O-CB 3.27Å; S208-F211 PolarHBondContact O-N 2.91Å; S208-F211 PolarHBondContact OG-N 2.93Å; S208-D212 PolarHBondContact O-N 3.41Å
209K85.3Confident89.5Confident186 Ų18645.5 Ų45.581%0.80922%0.221SC*.Hα-helixtrans-58.2-30.6171.5-67.4-176.2179.7178.60112.7F211 D212K209-F211 VanDerWaalsContact C-N 3.3Å; K209-D212 WeakPolarHBondContact O-CB 3.46Å; K209-D212 PolarHBondContact O-N 3.5Å
210A82.4Confident89.3Confident40 Ų4049.9 Ų49.933%0.33124%0.24SC..Hα-helixtrans-66.7-34.2174.600000111.7I175 S208 D212 I213I175-A210 HydrophobicContact CD1-CB 3.78Å; S208-A210 PolarHBondContact O-N 2.94Å; A210-D212 VanDerWaalsContact C-N 3.32Å; A210-D212 PolarHBondContact O-N 3.33Å; A210-I213 PolarHBondContact O-N 2.74Å
211F87.4Confident88.9Confident2 Ų247.9 Ų47.91%0.00923%0.231CC..Hα-helixtrans-67-31.3175-175.5-99.2000112.5L167 F204 E207 S208 K209 I213 G214 F215L167-F211 HydrophobicContact CD1-CB 4.37Å; L167-F211 HydrophobicContact CD1-CD1 3.53Å; L167-F211 HydrophobicContact CD1-CD2 3.72Å; L167-F211 HydrophobicContact CD1-CE1 3.63Å; L167-F211 HydrophobicContact CD1-CE2 3.83Å; L167-F211 HydrophobicContact CD1-CG 3.58Å; L167-F211 HydrophobicContact CD1-CZ 3.8Å; L167-F211 HydrophobicContact CD2-CD2 4.18Å; L167-F211 HydrophobicContact CD2-CE2 4.23Å; F204-F211 AromaticContact CD1-CE1 3.65Å; F204-F211 HydrophobicContact CD1-CE1 3.65Å; F204-F211 AromaticContact CD1-CZ 3.77Å; F204-F211 HydrophobicContact CD1-CZ 3.77Å; F204-F211 AromaticContact CE1-CE1 3.76Å; F204-F211 HydrophobicContact CE1-CE1 3.76Å; F204-F211 AromaticContact CE1-CZ 3.47Å; F204-F211 HydrophobicContact CE1-CZ 3.47Å; F204-F211 VanDerWaalsContact CE1-CZ 3.47Å; F204-F211 HydrophobicContact CZ-CZ 4.49Å; E207-F211 HydrophobicContact CB-CB 4.41Å; E207-F211 HydrophobicContact CB-CD1 3.81Å; E207-F211 HydrophobicContact CB-CG 4.39Å; S208-F211 WeakPolarHBondContact O-CA 3.36Å; S208-F211 VanDerWaalsContact O-CB 3.31Å; S208-F211 WeakPolarHBondContact O-CB 3.27Å; S208-F211 PolarHBondContact O-N 2.91Å; S208-F211 PolarHBondContact OG-N 2.93Å; K209-F211 VanDerWaalsContact C-N 3.3Å; F211-I213 PolarHBondContact O-N 3.27Å; F211-G214 CarbonylContact O-C 3.53Å; F211-G214 PolarHBondContact O-N 3.34Å; F211-G214 VanDerWaalsContact O-N 3.11Å; F211-F215 HydrophobicContact CD1-CB 4.16Å; F211-F215 HydrophobicContact CE1-CB 3.84Å; F211-F215 AromaticContact CE1-CD2 3.75Å; F211-F215 HydrophobicContact CE1-CD2 3.75Å; F211-F215 HydrophobicContact CE1-CG 4.19Å; F211-F215 HydrophobicContact CZ-CB 4.34Å; F211-F215 HydrophobicContact CZ-CD2 4.14Å; F211-F215 VanDerWaalsContact O-CB 3.32Å; F211-F215 WeakPolarHBondContact O-CB 3.47Å; F211-F215 PolarHBondContact O-N 3.22Å
212D86.2Confident88.5Confident59 Ų5946.8 Ų46.832%0.31623%0.226SC..Hα-helixtrans-57.3-35177.2-74.2-40.6000113S208 K209 A210 K216 R232S208-D212 PolarHBondContact O-N 3.41Å; K209-D212 WeakPolarHBondContact O-CB 3.46Å; K209-D212 PolarHBondContact O-N 3.5Å; A210-D212 VanDerWaalsContact C-N 3.32Å; A210-D212 PolarHBondContact O-N 3.33Å; D212-K216 PolarHBondContact O-N 3.27Å; D212-R232 IonicContact OD1-CZ 3.67Å; D212-R232 IonicContact OD1-NH1 2.66Å; D212-R232 IonicContact OD1-NH2 2.69Å; D212-R232 PolarHBondContact OD1-NH2 3.47Å
213I82.4Confident88.2Confident103 Ų10347.9 Ų47.953%0.52824%0.235SC..Hα-helixtrans-68.5-50.4175.9-60.5173.5000109.6A210 F211 F215 K216A210-I213 PolarHBondContact O-N 2.74Å; F211-I213 PolarHBondContact O-N 3.27Å; I213-F215 VanDerWaalsContact C-N 3.25Å; I213-F215 PolarHBondContact O-N 3Å; I213-K216 PolarHBondContact O-N 2.9Å
214G82.6Confident87.8Confident4 Ų453.2 Ų53.24%0.04126%0.263CS..Hα-helixtrans-63.2-29.8176.600000113.6T179 F211 V217 F218T179-G214 VanDerWaalsContact CG2-CA 3.49Å; F211-G214 CarbonylContact O-C 3.53Å; F211-G214 PolarHBondContact O-N 3.34Å; F211-G214 VanDerWaalsContact O-N 3.11Å; G214-V217 VanDerWaalsContact O-CB 3.27Å; G214-V217 WeakPolarHBondContact O-CB 3.32Å; G214-V217 PolarHBondContact O-N 3.42Å; G214-F218 VanDerWaalsContact O-CD2 3.31Å; G214-F218 WeakPolarHBondContact O-CD2 3.41Å; G214-F218 PolarHBondContact O-N 3.13Å
215F86.2Confident87.6Confident13 Ų1358.2 Ų58.26%0.05729%0.285CS..Hα-helixtrans-66.3-37.4177.7-178.3-96.5000111.8F204 F211 I213 V217 F218 E219 I230F204-F215 HydrophobicContact CE1-CD2 4.5Å; F204-F215 AromaticContact CE2-CE2 4Å; F204-F215 HydrophobicContact CE2-CE2 4Å; F204-F215 HydrophobicContact CZ-CD2 4.32Å; F204-F215 AromaticContact CZ-CE2 4Å; F204-F215 HydrophobicContact CZ-CE2 4Å; F211-F215 HydrophobicContact CD1-CB 4.16Å; F211-F215 HydrophobicContact CE1-CB 3.84Å; F211-F215 AromaticContact CE1-CD2 3.75Å; F211-F215 HydrophobicContact CE1-CD2 3.75Å; F211-F215 HydrophobicContact CE1-CG 4.19Å; F211-F215 HydrophobicContact CZ-CB 4.34Å; F211-F215 HydrophobicContact CZ-CD2 4.14Å; F211-F215 VanDerWaalsContact O-CB 3.32Å; F211-F215 WeakPolarHBondContact O-CB 3.47Å; F211-F215 PolarHBondContact O-N 3.22Å; I213-F215 VanDerWaalsContact C-N 3.25Å; I213-F215 PolarHBondContact O-N 3Å; F215-V217 PolarHBondContact O-N 3.39Å; F215-F218 WeakPolarHBondContact O-CB 3.49Å; F215-F218 PolarHBondContact O-N 3.43Å; F215-F218 VanDerWaalsContact O-N 3.08Å; F215-E219 HydrophobicContact CD1-CB 4.42Å; F215-E219 HydrophobicContact CE1-CB 4.17Å; F215-E219 HydrophobicContact CE1-CG 4.5Å; F215-E219 WeakPolarHBondContact O-CB 3.3Å; F215-E219 PolarHBondContact O-N 2.88Å; F215-I230 HydrophobicContact CE2-CD1 3.99Å; F215-I230 HydrophobicContact CE2-CG2 4.44Å; F215-I230 HydrophobicContact CZ-CD1 3.64Å; F215-I230 HydrophobicContact CZ-CG2 4.25Å
216K87Confident87.2Confident142 Ų14258.2 Ų58.262%0.61729%0.286SS*.Hα-helixtrans-59.1-33.9175.2-70177.6179.8-178.80112.2D212 I213 E219 F220D212-K216 PolarHBondContact O-N 3.27Å; I213-K216 PolarHBondContact O-N 2.9Å; K216-E219 PolarHBondContact O-N 2.87Å; K216-F220 PolarHBondContact O-N 3.25Å
217V81.4Confident87.1Confident1 Ų157.4 Ų57.41%0.00628%0.282CS..Hα-helixtrans-63.7-47.8174.5179.50000110.9A184 G214 F215 W221 M307 M312A184-V217 HydrophobicContact CB-CG1 4.26Å; G214-V217 VanDerWaalsContact O-CB 3.27Å; G214-V217 WeakPolarHBondContact O-CB 3.32Å; G214-V217 PolarHBondContact O-N 3.42Å; F215-V217 PolarHBondContact O-N 3.39Å; V217-W221 HydrophobicContact CG1-CE3 4.23Å; V217-W221 HydrophobicContact CG1-CH2 3.93Å; V217-W221 HydrophobicContact CG1-CZ3 3.4Å; V217-W221 VanDerWaalsContact O-CE3 3.24Å; V217-M307 HydrophobicContact CB-CE 3.94Å; V217-M307 HydrophobicContact CB-SD 4.14Å; V217-M307 HydrophobicContact CG1-CE 3.45Å; V217-M307 VanDerWaalsContact CG1-CE 3.45Å; V217-M307 HydrophobicContact CG1-SD 3.88Å; V217-M307 HydrophobicContact CG2-CE 3.63Å; V217-M307 HydrophobicContact CG2-SD 4.19Å; V217-M312 HydrophobicContact CG2-CE 4.32Å; V217-M312 HydrophobicContact CG2-SD 3.51Å; V217-M312 VanDerWaalsContact CG2-SD 3.51Å
218F82.6Confident87.3Confident19 Ų1963.6 Ų63.68%0.08331%0.311CS..Hα-helixtrans-62.5-48.5174.7-72.2-68.4000111.6W178 T179 A184 M188 G214 F215 F220 W221 L222W178-F218 AromaticContact CD1-CE2 3.8Å; W178-F218 AromaticContact CD1-CZ 3.68Å; W178-F218 AromaticContact NE1-CE2 3.97Å; W178-F218 AromaticContact NE1-CZ 3.65Å; W178-F218 WeakPolarHBondContact O-CZ 3.29Å; T179-F218 HydrophobicContact CG2-CD2 4.38Å; T179-F218 HydrophobicContact CG2-CE2 3.63Å; T179-F218 HydrophobicContact CG2-CZ 4.45Å; A184-F218 HydrophobicContact CB-CD1 4.12Å; A184-F218 HydrophobicContact CB-CE1 3.62Å; A184-F218 HydrophobicContact CB-CZ 4.05Å; M188-F218 HydrophobicContact CE-CD1 3.84Å; M188-F218 HydrophobicContact CE-CE1 4.11Å; M188-F218 HydrophobicContact CG-CD1 4.19Å; M188-F218 HydrophobicContact SD-CD1 4.08Å; G214-F218 VanDerWaalsContact O-CD2 3.31Å; G214-F218 WeakPolarHBondContact O-CD2 3.41Å; G214-F218 PolarHBondContact O-N 3.13Å; F215-F218 WeakPolarHBondContact O-CB 3.49Å; F215-F218 PolarHBondContact O-N 3.43Å; F215-F218 VanDerWaalsContact O-N 3.08Å; F218-F220 PolarHBondContact O-N 3.38Å; F218-W221 PolarHBondContact O-N 2.64Å; F218-L222 WeakPolarHBondContact O-CG 3.42Å; F218-L222 PolarHBondContact O-N 3.14Å
219E87.2Confident87.7Confident79 Ų7963.8 Ų63.837%0.36931%0.306SS..Hα-helixtrans-56.6-35.6-177.4-174.2174.4-15600112.8F215 K216 W221 L222 K227F215-E219 HydrophobicContact CD1-CB 4.42Å; F215-E219 HydrophobicContact CE1-CB 4.17Å; F215-E219 HydrophobicContact CE1-CG 4.5Å; F215-E219 WeakPolarHBondContact O-CB 3.3Å; F215-E219 PolarHBondContact O-N 2.88Å; K216-E219 PolarHBondContact O-N 2.87Å; E219-W221 VanDerWaalsContact C-N 3.29Å; E219-W221 PolarHBondContact O-N 2.96Å; E219-L222 PolarHBondContact O-N 3.17Å; E219-K227 VanDerWaalsContact O-CE 3.25Å; E219-K227 WeakPolarHBondContact O-CE 2.8Å
220F88.6Confident88.2Confident97 Ų9756.3 Ų56.343%0.42528%0.275SS..Hα-helixtrans-57-39.9176.3177.6-102.1000113K216 F218 M307K216-F220 PolarHBondContact O-N 3.25Å; F218-F220 PolarHBondContact O-N 3.38Å; F220-M307 HydrophobicContact CB-SD 4.29Å; F220-M307 HydrophobicContact CD1-CG 3.59Å; F220-M307 HydrophobicContact CD1-SD 4.29Å; F220-M307 HydrophobicContact CE1-CG 3.85Å; F220-M307 HydrophobicContact CG-CG 4.13Å; F220-M307 HydrophobicContact CG-SD 4.36Å
221W88.6Confident88.8Confident16 Ų1655 Ų556%0.06126%0.262CS..Hα-helixtrans-92.9-6.8-179.3-68.5-53.4000114.2P181 A184 K185 M188 Q192 V217 F218 E219 Y304 K305 M307P181-W221 HydrophobicContact CB-CH2 4.12Å; P181-W221 VanDerWaalsContact O-CH2 3.23Å; P181-W221 WeakPolarHBondContact O-CH2 3.32Å; A184-W221 HydrophobicContact CB-CE3 4.44Å; A184-W221 HydrophobicContact CB-CZ3 3.82Å; K185-W221 HydrophobicContact CB-CD2 4.23Å; K185-W221 HydrophobicContact CB-CE3 4.21Å; K185-W221 HydrophobicContact CB-CH2 3.72Å; K185-W221 HydrophobicContact CB-CZ2 3.72Å; K185-W221 HydrophobicContact CB-CZ3 3.95Å; K185-W221 HydrophobicContact CD-CZ2 4.23Å; K185-W221 HydrophobicContact CG-CD2 4.49Å; K185-W221 HydrophobicContact CG-CZ2 4.05Å; M188-W221 HydrophobicContact CB-CB 3.98Å; M188-W221 HydrophobicContact CG-CB 4.02Å; Q192-W221 PolarHBondContact NE2-O 3.32Å; V217-W221 HydrophobicContact CG1-CE3 4.23Å; V217-W221 HydrophobicContact CG1-CH2 3.93Å; V217-W221 HydrophobicContact CG1-CZ3 3.4Å; V217-W221 VanDerWaalsContact O-CE3 3.24Å; F218-W221 PolarHBondContact O-N 2.64Å; E219-W221 VanDerWaalsContact C-N 3.29Å; E219-W221 PolarHBondContact O-N 2.96Å; W221-Y304 HydrophobicContact CB-CD1 3.96Å; W221-Y304 HydrophobicContact CB-CE1 4.13Å; W221-Y304 AromaticContact CD1-CD1 3.63Å; W221-Y304 AromaticContact CG-CD1 3.91Å; W221-Y304 HydrophobicContact CG-CD1 3.91Å; W221-K305 PolarHBondContact NE1-O 3.41Å; W221-M307 HydrophobicContact CH2-CE 4.37Å; W221-M307 HydrophobicContact CH2-CG 3.99Å; W221-M307 HydrophobicContact CH2-SD 4.4Å; W221-M307 HydrophobicContact CZ2-CG 3.71Å
222L88.8Confident89.2Confident12 Ų1259.9 Ų59.96%0.06328%0.28CS..  trans-75.8131.4178.6-71.1-179.9000111.5M188 F218 E219 M226 K227 I230M188-L222 HydrophobicContact SD-CD2 3.43Å; M188-L222 WeakPolarHBondContact SD-CD2 3.24Å; M188-L222 HydrophobicContact SD-CG 4.22Å; F218-L222 WeakPolarHBondContact O-CG 3.42Å; F218-L222 PolarHBondContact O-N 3.14Å; E219-L222 PolarHBondContact O-N 3.17Å; L222-M226 HydrophobicContact CB-CB 4.25Å; L222-M226 HydrophobicContact CD2-CB 3.8Å; L222-M226 HydrophobicContact CD2-CG 4.19Å; L222-M226 HydrophobicContact CG-CB 4.46Å; L222-K227 HydrophobicContact CB-CG 3.95Å; L222-K227 VanDerWaalsContact O-CE 3.31Å; L222-K227 WeakPolarHBondContact O-CE 3.37Å; L222-I230 HydrophobicContact CD1-CD1 3.6Å
223S88.9Confident89.6Confident37 Ų3757.1 Ų57.126%0.25927%0.265SS..  trans-62.5154.116456.60000111.5Q192 K225 M226 K227Q192-S223 PolarHBondContact OE1-OG 3.19Å; S223-K225 PolarHBondContact O-N 3.44Å; S223-K225 VanDerWaalsContact O-N 3.17Å; S223-M226 WeakPolarHBondContact O-CA 3.23Å; S223-M226 WeakPolarHBondContact O-CB 3.3Å; S223-M226 PolarHBondContact O-N 3.39Å; S223-M226 PolarHBondContact OG-N 2.93Å; S223-K227 PolarHBondContact O-N 3.16Å
224D91.2Very high90.2Very high113 Ų11358.8 Ų58.860%0.60427%0.269SS*.Hα-helixtrans-56.6-36.1177.9-58.8-36.5000112.1M226 K227 Q228D224-M226 VanDerWaalsContact C-N 3.3Å; D224-M226 PolarHBondContact O-N 3.46Å; D224-K227 PolarHBondContact O-N 3.25Å; D224-Q228 WeakPolarHBondContact O-CG 3.42Å; D224-Q228 PolarHBondContact O-N 2.75Å
225K90.9Very high90.7Very high121 Ų12163.7 Ų63.753%0.52629%0.294SS..Hα-helixtrans-60.7-36.4173.8-171.7174.8-176.8170.70112.7S223 R229S223-K225 PolarHBondContact O-N 3.44Å; S223-K225 VanDerWaalsContact O-N 3.17Å; K225-R229 WeakPolarHBondContact O-CD 3.48Å; K225-R229 WeakPolarHBondContact O-CG 3.34Å; K225-R229 PolarHBondContact O-NE 2.9Å
226M90.6Very high91.1Very high16 Ų1665.9 Ų65.98%0.07931%0.307CS..Hα-helixtrans-75.8-39.5174-72.7-46.890.100111.7Q192 L222 S223 D224 Q228 R229Q192-M226 HydrophobicContact CG-CG 4.21Å; L222-M226 HydrophobicContact CB-CB 4.25Å; L222-M226 HydrophobicContact CD2-CB 3.8Å; L222-M226 HydrophobicContact CD2-CG 4.19Å; L222-M226 HydrophobicContact CG-CB 4.46Å; S223-M226 WeakPolarHBondContact O-CA 3.23Å; S223-M226 WeakPolarHBondContact O-CB 3.3Å; S223-M226 PolarHBondContact O-N 3.39Å; S223-M226 PolarHBondContact OG-N 2.93Å; D224-M226 VanDerWaalsContact C-N 3.3Å; D224-M226 PolarHBondContact O-N 3.46Å; M226-Q228 VanDerWaalsContact C-N 3.26Å; M226-Q228 PolarHBondContact O-N 3.03Å; M226-R229 WeakPolarHBondContact O-CA 2.9Å; M226-R229 WeakPolarHBondContact O-CB 3.34Å; M226-R229 PolarHBondContact O-N 3.39Å
227K93.4Very high91.6Very high76 Ų7660 Ų6033%0.3328%0.282SS..Hα-helixtrans-56.4-41.6177.2-67.1178.3-176.7172.20111.8E219 L222 S223 D224 R229 I230E219-K227 VanDerWaalsContact O-CE 3.25Å; E219-K227 WeakPolarHBondContact O-CE 2.8Å; L222-K227 HydrophobicContact CB-CG 3.95Å; L222-K227 VanDerWaalsContact O-CE 3.31Å; L222-K227 WeakPolarHBondContact O-CE 3.37Å; S223-K227 PolarHBondContact O-N 3.16Å; D224-K227 PolarHBondContact O-N 3.25Å; K227-R229 PolarHBondContact O-N 3.26Å; K227-R229 VanDerWaalsContact O-N 3.12Å; K227-I230 WeakPolarHBondContact O-CB 3.23Å; K227-I230 PolarHBondContact O-N 3.12Å; K227-I230 VanDerWaalsContact O-N 3.15Å
228Q94.7Very high92.4Very high160 Ų16063.1 Ų63.175%0.74830%0.297SS*.THydrogen-bonded Turntrans-64.4-14.1175.9-69.4175.510.100114.5D224 M226D224-Q228 WeakPolarHBondContact O-CG 3.42Å; D224-Q228 PolarHBondContact O-N 2.75Å; M226-Q228 VanDerWaalsContact C-N 3.26Å; M226-Q228 PolarHBondContact O-N 3.03Å
229R95.4Very high93.1Very high44 Ų4466.9 Ų66.917%0.16631%0.313CS..THydrogen-bonded Turntrans-97.5-1.9179.8-63.6176.1-176.8-178.7-8.7113.1T199 K200 L202 K225 M226 K227T199-R229 WeakPolarHBondContact O-CD 3.37Å; T199-R229 VanDerWaalsContact O-CZ 3.29Å; T199-R229 PolarHBondContact O-NE 3.25Å; T199-R229 PolarHBondContact O-NH1 3.33Å; K200-R229 WeakPolarHBondContact O-CB 3.45Å; K200-R229 WeakPolarHBondContact O-CG 3.3Å; L202-R229 PolarHBondContact N-O 3.26Å; K225-R229 WeakPolarHBondContact O-CD 3.48Å; K225-R229 WeakPolarHBondContact O-CG 3.34Å; K225-R229 PolarHBondContact O-NE 2.9Å; M226-R229 WeakPolarHBondContact O-CA 2.9Å; M226-R229 WeakPolarHBondContact O-CB 3.34Å; M226-R229 PolarHBondContact O-N 3.39Å; K227-R229 PolarHBondContact O-N 3.26Å; K227-R229 VanDerWaalsContact O-N 3.12Å
230I95.5Very high93.6Very high29 Ų2963.1 Ų63.115%0.14930%0.296CS..EExtended strand (participates in β ladder)trans-78.9133.8176.1-61.9176.7000109.6L202 F204 F215 L222 K227 R232L202-I230 HydrophobicContact CB-CG1 4.4Å; L202-I230 HydrophobicContact CD1-CG1 4.46Å; L202-I230 CarbonylContact O-C 3.31Å; L202-I230 WeakPolarHBondContact O-CA 3.47Å; F204-I230 HydrophobicContact CD2-CG2 3.83Å; F204-I230 HydrophobicContact CE2-CG1 4.4Å; F204-I230 HydrophobicContact CE2-CG2 3.83Å; F215-I230 HydrophobicContact CE2-CD1 3.99Å; F215-I230 HydrophobicContact CE2-CG2 4.44Å; F215-I230 HydrophobicContact CZ-CD1 3.64Å; F215-I230 HydrophobicContact CZ-CG2 4.25Å; L222-I230 HydrophobicContact CD1-CD1 3.6Å; K227-I230 WeakPolarHBondContact O-CB 3.23Å; K227-I230 PolarHBondContact O-N 3.12Å; K227-I230 VanDerWaalsContact O-N 3.15Å; I230-R232 HydrophobicContact CG2-CG 3.91Å
231I95.7Very high94.1Very high13 Ų1359.3 Ų59.37%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-130.9101.8176.5-53.4170.3000106.8L202 I203 F204 I233 K243 I244L202-I231 PolarHBondContact O-N 3.1Å; I203-I231 CarbonylContact C-O 3.48Å; I203-I231 VanDerWaalsContact CA-O 3.27Å; I203-I231 WeakPolarHBondContact CA-O 3.26Å; I203-I231 HydrophobicContact CG1-CB 4.37Å; I203-I231 HydrophobicContact CG1-CD1 4.22Å; F204-I231 PolarHBondContact N-O 3.12Å; I231-I233 HydrophobicContact CG2-CG2 3.73Å; I231-K243 HydrophobicContact CD1-CD 3.76Å; I231-K243 HydrophobicContact CD1-CG 4.26Å; I231-K243 HydrophobicContact CG1-CD 4.07Å; I231-K243 HydrophobicContact CG2-CD 4.27Å; I231-I244 HydrophobicContact CD1-CD1 3.86Å; I231-I244 HydrophobicContact CD1-CG1 4.37Å
232R94.6Very high94.5Very high104 Ų10466.8 Ų66.839%0.39231%0.312SS..EExtended strand (participates in β ladder)trans-90.1110.6175.3-62.8177.664.6172.3-3.8108.4F204 E207 D212 I230F204-R232 HydrophobicContact CB-CG 4.27Å; F204-R232 HydrophobicContact CD2-CG 4.4Å; E207-R232 VanDerWaalsContact CD-NE 3.25Å; E207-R232 IonicContact OE1-CZ 3.47Å; E207-R232 IonicContact OE1-NE 3.04Å; E207-R232 PolarHBondContact OE1-NE 2.74Å; E207-R232 IonicContact OE1-NH2 3.34Å; E207-R232 PolarHBondContact OE1-NH2 2.64Å; E207-R232 IonicContact OE2-CZ 3.51Å; E207-R232 IonicContact OE2-NE 3.15Å; E207-R232 PolarHBondContact OE2-NE 3.31Å; E207-R232 IonicContact OE2-NH2 2.76Å; E207-R232 PolarHBondContact OE2-NH2 3.37Å; D212-R232 IonicContact OD1-CZ 3.67Å; D212-R232 IonicContact OD1-NH1 2.66Å; D212-R232 IonicContact OD1-NH2 2.69Å; D212-R232 PolarHBondContact OD1-NH2 3.47Å; I230-R232 HydrophobicContact CG2-CG 3.91Å
233I96.2Very high94.9Very high0 Ų072.1 Ų72.10%033%0.334CS..EExtended strand (participates in β ladder)trans-99.3-8.2-175.256.9164.4000113.7F164 I203 F204 Y205 I231 D235 D236 T237 K239 A240F164-I233 HydrophobicContact CE2-CD1 3.76Å; F164-I233 HydrophobicContact CZ-CD1 3.86Å; I203-I233 HydrophobicContact CG2-CD1 3.95Å; I203-I233 HydrophobicContact CG2-CG1 4.08Å; I203-I233 HydrophobicContact CG2-CG2 4.14Å; F204-I233 WeakPolarHBondContact O-CG1 3.46Å; F204-I233 PolarHBondContact O-N 2.9Å; Y205-I233 HydrophobicContact CD2-CD1 3.71Å; Y205-I233 HydrophobicContact CD2-CG1 4.16Å; Y205-I233 HydrophobicContact CG-CD1 4.28Å; I231-I233 HydrophobicContact CG2-CG2 3.73Å; I233-D235 PolarHBondContact O-N 2.98Å; I233-D236 WeakPolarHBondContact CB-O 3.17Å; I233-D236 PolarHBondContact O-N 3.33Å; I233-T237 HydrophobicContact CD1-CG2 4.11Å; I233-K239 HydrophobicContact CB-CB 4.28Å; I233-K239 HydrophobicContact CG2-CB 3.78Å; I233-A240 HydrophobicContact CD1-CB 4.26Å; I233-A240 HydrophobicContact CG2-CB 3.97Å
234K93.3Very high95.4Very high138 Ų13870.4 Ų70.460%0.632%0.323SS*.EExtended strand (participates in β ladder)trans55.5-120.8-167.5-55.5-178.1178.3-1770108.5Y205 K206Y205-K234 CarbonylContact C-O 3.57Å; Y205-K234 WeakPolarHBondContact CA-O 3.48Å; Y205-K234 WeakPolarHBondContact CD2-O 3.42Å; K206-K234 PolarHBondContact N-O 2.98Å
235D93.4Very high95.7Very high108 Ų10868.8 Ų68.858%0.57832%0.318SS*.THydrogen-bonded Turntrans-101.91.3-179.756.8-11.9000114.3K206 I233K206-D235 HydrophobicContact CD-CB 4.43Å; K206-D235 HydrophobicContact CG-CB 3.89Å; I233-D235 PolarHBondContact O-N 2.98Å
236D96.1Very high96.1Very high59 Ų5963.4 Ų63.432%0.31630%0.297SS..  trans-103.394-173.41787.2000111.5I233 E238 K239I233-D236 WeakPolarHBondContact CB-O 3.17Å; I233-D236 PolarHBondContact O-N 3.33Å; D236-E238 PolarHBondContact O-N 2.99Å; D236-E238 WeakPolarHBondContact OD1-CB 3.43Å; D236-E238 PolarHBondContact OD1-N 2.9Å; D236-E238 VanDerWaalsContact OD1-N 3.13Å; D236-K239 HydrophobicContact CB-CD 4.15Å; D236-K239 HydrophobicContact CB-CG 4.42Å; D236-K239 WeakPolarHBondContact O-CB 3.49Å; D236-K239 PolarHBondContact O-N 3.24Å; D236-K239 WeakPolarHBondContact OD2-CE 3.2Å; D236-K239 WeakPolarHBondContact OD2-CG 3.46Å; D236-K239 IonicContact OD2-NZ 3.77Å
237T97.5Very high96.5Very high17 Ų1762.7 Ų62.710%0.10429%0.294CS..THydrogen-bonded Turntrans-66.6-21.6-179.654.40000113.6F164 Y205 I233 K239 A240 F241 Y255F164-T237 HydrophobicContact CE2-CG2 4.48Å; F164-T237 HydrophobicContact CZ-CG2 4.08Å; Y205-T237 HydrophobicContact CD2-CG2 4.01Å; Y205-T237 HydrophobicContact CE2-CG2 3.67Å; I233-T237 HydrophobicContact CD1-CG2 4.11Å; T237-K239 PolarHBondContact O-N 2.97Å; T237-A240 WeakPolarHBondContact O-CB 3.24Å; T237-A240 PolarHBondContact O-N 3.05Å; T237-F241 WeakPolarHBondContact O-CG 3.38Å; T237-F241 PolarHBondContact O-N 2.93Å; T237-Y255 WeakPolarHBondContact CB-O 3.37Å; T237-Y255 WeakPolarHBondContact CG2-O 3.4Å; T237-Y255 PolarHBondContact OG1-O 3.3Å
238E97.6Very high96.7Very high68 Ų6862.4 Ų62.432%0.31829%0.293SS..Hα-helixtrans-63.8-26.8176.5-69.2-68.1151.900111.9D236 A240 F241 K242 K248D236-E238 PolarHBondContact O-N 2.99Å; D236-E238 WeakPolarHBondContact OD1-CB 3.43Å; D236-E238 PolarHBondContact OD1-N 2.9Å; D236-E238 VanDerWaalsContact OD1-N 3.13Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-A240 PolarHBondContact O-N 3.31Å; E238-F241 HydrophobicContact CG-CD2 4.48Å; E238-F241 PolarHBondContact O-N 3.23Å; E238-F241 WeakPolarHBondContact OE1-CD2 3.38Å; E238-K242 WeakPolarHBondContact O-CB 3.46Å; E238-K242 VanDerWaalsContact O-CG 3.28Å; E238-K242 WeakPolarHBondContact O-CG 3.39Å; E238-K242 PolarHBondContact O-N 3.35Å; E238-K248 IonicContact OE1-NZ 2.8Å; E238-K248 PolarHBondContact OE1-NZ 2.99Å
239K97.6Very high96.9Very high97 Ų9760.4 Ų60.442%0.42228%0.283SS..Hα-helixtrans-61.3-39.1170.7-72.8171-171.3152.10112.5I233 D236 T237 K243I233-K239 HydrophobicContact CB-CB 4.28Å; I233-K239 HydrophobicContact CG2-CB 3.78Å; D236-K239 HydrophobicContact CB-CD 4.15Å; D236-K239 HydrophobicContact CB-CG 4.42Å; D236-K239 WeakPolarHBondContact O-CB 3.49Å; D236-K239 PolarHBondContact O-N 3.24Å; D236-K239 WeakPolarHBondContact OD2-CE 3.2Å; D236-K239 WeakPolarHBondContact OD2-CG 3.46Å; D236-K239 IonicContact OD2-NZ 3.77Å; T237-K239 PolarHBondContact O-N 2.97Å; K239-K243 WeakPolarHBondContact O-CB 3.1Å; K239-K243 PolarHBondContact O-N 2.85Å
240A97.8Very high97Very high0 Ų059.2 Ų59.20%028%0.28CS..Hα-helixtrans-73-42.8176.500000110.7I203 I233 T237 E238 K242 K243 I244 L247I203-A240 HydrophobicContact CG2-CB 4.06Å; I233-A240 HydrophobicContact CD1-CB 4.26Å; I233-A240 HydrophobicContact CG2-CB 3.97Å; T237-A240 WeakPolarHBondContact O-CB 3.24Å; T237-A240 PolarHBondContact O-N 3.05Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-A240 PolarHBondContact O-N 3.31Å; A240-K242 PolarHBondContact O-N 3.16Å; A240-K243 PolarHBondContact O-N 3.34Å; A240-K243 VanDerWaalsContact O-N 3.12Å; A240-I244 PolarHBondContact O-N 3.47Å; A240-L247 HydrophobicContact CB-CD2 3.7Å
241F98.3Very high97.2Very high18 Ų1857.9 Ų57.98%0.07927%0.273CS..Hα-helixtrans-62.5-40.9-179.3-57.7-18.8000112.5T237 E238 K243 I244 L247 K248 M251 Y255T237-F241 WeakPolarHBondContact O-CG 3.38Å; T237-F241 PolarHBondContact O-N 2.93Å; E238-F241 HydrophobicContact CG-CD2 4.48Å; E238-F241 PolarHBondContact O-N 3.23Å; E238-F241 WeakPolarHBondContact OE1-CD2 3.38Å; F241-K243 VanDerWaalsContact C-N 3.3Å; F241-K243 PolarHBondContact O-N 3.37Å; F241-I244 CarbonylContact O-C 3.53Å; F241-L247 HydrophobicContact CD1-CB 4.15Å; F241-L247 HydrophobicContact CD1-CD2 3.99Å; F241-L247 HydrophobicContact CD1-CG 3.92Å; F241-L247 HydrophobicContact CE1-CD2 4.36Å; F241-L247 HydrophobicContact CE1-CG 4.15Å; F241-K248 HydrophobicContact CB-CB 4.34Å; F241-K248 HydrophobicContact CD1-CB 4.1Å; F241-K248 HydrophobicContact CD2-CB 3.92Å; F241-K248 HydrophobicContact CD2-CD 3.78Å; F241-K248 HydrophobicContact CD2-CG 3.85Å; F241-K248 HydrophobicContact CE1-CB 4.41Å; F241-K248 HydrophobicContact CE2-CB 4.2Å; F241-K248 HydrophobicContact CE2-CD 4.06Å; F241-K248 HydrophobicContact CE2-CG 3.83Å; F241-K248 HydrophobicContact CG-CB 3.86Å; F241-K248 HydrophobicContact CG-CD 4.47Å; F241-K248 HydrophobicContact CG-CG 4.32Å; F241-K248 HydrophobicContact CZ-CB 4.44Å; F241-K248 HydrophobicContact CZ-CG 4.31Å; F241-M251 HydrophobicContact CE1-CB 4.21Å; F241-M251 HydrophobicContact CE1-CG 3.91Å; F241-M251 HydrophobicContact CZ-CB 4.38Å; F241-Y255 WeakPolarHBondContact CZ-O 3.38Å
242K97.8Very high97.3Very high172 Ų17257.2 Ų57.275%0.74827%0.27SS*.Hα-helixtrans-64-34.3174.6-72.7171.9-176.7174.60112.8E238 A240E238-K242 WeakPolarHBondContact O-CB 3.46Å; E238-K242 VanDerWaalsContact O-CG 3.28Å; E238-K242 WeakPolarHBondContact O-CG 3.39Å; E238-K242 PolarHBondContact O-N 3.35Å; A240-K242 PolarHBondContact O-N 3.16Å
243K97.2Very high97.5Very high124 Ų12457.9 Ų57.954%0.53928%0.277SS..Hα-helixtrans-85.7-24.1-176.7-171.4165.2177.7176.20113.1I231 K239 A240 F241I231-K243 HydrophobicContact CD1-CD 3.76Å; I231-K243 HydrophobicContact CD1-CG 4.26Å; I231-K243 HydrophobicContact CG1-CD 4.07Å; I231-K243 HydrophobicContact CG2-CD 4.27Å; K239-K243 WeakPolarHBondContact O-CB 3.1Å; K239-K243 PolarHBondContact O-N 2.85Å; A240-K243 PolarHBondContact O-N 3.34Å; A240-K243 VanDerWaalsContact O-N 3.12Å; F241-K243 VanDerWaalsContact C-N 3.3Å; F241-K243 PolarHBondContact O-N 3.37Å
244I98.2Very high97.6Very high2 Ų262.5 Ų62.51%0.0130%0.299CS..SBendtrans-129.292.3-175.3-54.4172.6000108.7V115 H201 I203 I231 A240 F241 L247V115-I244 HydrophobicContact CB-CG2 4.16Å; V115-I244 HydrophobicContact CG1-CG2 4Å; V115-I244 HydrophobicContact CG2-CG2 3.97Å; H201-I244 HydrophobicContact CB-CD1 4.1Å; I203-I244 HydrophobicContact CD1-CD1 3.55Å; I203-I244 HydrophobicContact CG1-CD1 4.12Å; I231-I244 HydrophobicContact CD1-CD1 3.86Å; I231-I244 HydrophobicContact CD1-CG1 4.37Å; A240-I244 PolarHBondContact O-N 3.47Å; F241-I244 CarbonylContact O-C 3.53Å; I244-L247 HydrophobicContact CB-CB 4.01Å; I244-L247 HydrophobicContact CB-CD2 4.08Å; I244-L247 HydrophobicContact CD1-CD2 4.08Å; I244-L247 HydrophobicContact CG2-CB 3.97Å; I244-L247 HydrophobicContact CG2-CD2 4.49Å; I244-L247 WeakPolarHBondContact O-CB 3.11Å; I244-L247 PolarHBondContact O-N 2.99Å; I244-L247 VanDerWaalsContact O-N 3.13Å
245P98.3Very high97.8Very high78 Ų7856.7 Ų56.751%0.50627%0.273SS..THydrogen-bonded Turntrans-55138.6175.3-26.335.6000112.2V115 D116 L247V115-P245 WeakPolarHBondContact CB-O 3.38Å; D116-P245 HydrophobicContact CB-CB 4.24Å; D116-P245 PolarHBondContact N-O 2.88Å; D116-P245 WeakPolarHBondContact OD2-CB 3.13Å; P245-L247 VanDerWaalsContact C-N 3.27Å; P245-L247 PolarHBondContact O-N 2.95Å
246G98.4Very high98Very high9 Ų953.4 Ų53.49%0.09327%0.265CS..THydrogen-bonded Turntrans82.1-9-175.300000115.2D116 K248 Q249D116-G246 WeakPolarHBondContact OD1-CA 3.25Å; D116-G246 PolarHBondContact OD2-N 3.31Å; G246-K248 PolarHBondContact O-N 3.45Å; G246-Q249 PolarHBondContact O-N 3.29Å; G246-Q249 PolarHBondContact O-OE1 3.48Å
247L98.7Very high98.1Very high0 Ų051 Ų510%026%0.255CS..Hα-helixtrans-65-40.7-177.9-17662.2000112.5V115 I121 I203 A240 F241 I244 P245 Q249 I250 M251V115-L247 HydrophobicContact CG1-CB 4.08Å; V115-L247 HydrophobicContact CG1-CD1 4.07Å; I121-L247 HydrophobicContact CG1-CD1 4.1Å; I121-L247 HydrophobicContact CG2-CD1 4.1Å; I203-L247 HydrophobicContact CD1-CD2 4.02Å; A240-L247 HydrophobicContact CB-CD2 3.7Å; F241-L247 HydrophobicContact CD1-CB 4.15Å; F241-L247 HydrophobicContact CD1-CD2 3.99Å; F241-L247 HydrophobicContact CD1-CG 3.92Å; F241-L247 HydrophobicContact CE1-CD2 4.36Å; F241-L247 HydrophobicContact CE1-CG 4.15Å; I244-L247 HydrophobicContact CB-CB 4.01Å; I244-L247 HydrophobicContact CB-CD2 4.08Å; I244-L247 HydrophobicContact CD1-CD2 4.08Å; I244-L247 HydrophobicContact CG2-CB 3.97Å; I244-L247 HydrophobicContact CG2-CD2 4.49Å; I244-L247 WeakPolarHBondContact O-CB 3.11Å; I244-L247 PolarHBondContact O-N 2.99Å; I244-L247 VanDerWaalsContact O-N 3.13Å; P245-L247 VanDerWaalsContact C-N 3.27Å; P245-L247 PolarHBondContact O-N 2.95Å; L247-Q249 PolarHBondContact O-N 3.01Å; L247-I250 HydrophobicContact CD1-CD1 4.28Å; L247-I250 HydrophobicContact CD1-CG1 4.25Å; L247-I250 WeakPolarHBondContact O-CG1 3.46Å; L247-I250 PolarHBondContact O-N 2.73Å; L247-M251 HydrophobicContact CD1-CG 3.72Å; L247-M251 HydrophobicContact CD1-SD 3.94Å; L247-M251 HydrophobicContact CG-CG 3.8Å; L247-M251 HydrophobicContact CG-SD 4.45Å; L247-M251 WeakPolarHBondContact O-CG 3.38Å; L247-M251 PolarHBondContact O-N 3.24Å; L247-M251 VanDerWaalsContact O-N 3.1Å
248K98.6Very high98.2Very high71 Ų7154.3 Ų54.331%0.30928%0.277SS..Hα-helixtrans-58.8-37.4-179-171.4167.1-172.9156.20112.1E238 F241 G246 I250 G256 G257 C258E238-K248 IonicContact OE1-NZ 2.8Å; E238-K248 PolarHBondContact OE1-NZ 2.99Å; F241-K248 HydrophobicContact CB-CB 4.34Å; F241-K248 HydrophobicContact CD1-CB 4.1Å; F241-K248 HydrophobicContact CD2-CB 3.92Å; F241-K248 HydrophobicContact CD2-CD 3.78Å; F241-K248 HydrophobicContact CD2-CG 3.85Å; F241-K248 HydrophobicContact CE1-CB 4.41Å; F241-K248 HydrophobicContact CE2-CB 4.2Å; F241-K248 HydrophobicContact CE2-CD 4.06Å; F241-K248 HydrophobicContact CE2-CG 3.83Å; F241-K248 HydrophobicContact CG-CB 3.86Å; F241-K248 HydrophobicContact CG-CD 4.47Å; F241-K248 HydrophobicContact CG-CG 4.32Å; F241-K248 HydrophobicContact CZ-CB 4.44Å; F241-K248 HydrophobicContact CZ-CG 4.31Å; G246-K248 PolarHBondContact O-N 3.45Å; K248-I250 VanDerWaalsContact C-N 3.34Å; K248-I250 PolarHBondContact O-N 3.49Å; K248-G256 WeakPolarHBondContact CE-O 3Å; K248-G257 CarbonylContact O-C 3.51Å; K248-G257 WeakPolarHBondContact O-CA 3.43Å; K248-C258 PolarHBondContact O-N 3.5Å
249Q98.6Very high98.2Very high117 Ų11753.6 Ų53.655%0.54728%0.276SS..Hα-helixtrans-67.5-32.3-177.8-74.468.223.100113G246 L247 N259G246-Q249 PolarHBondContact O-N 3.29Å; G246-Q249 PolarHBondContact O-OE1 3.48Å; L247-Q249 PolarHBondContact O-N 3.01Å; Q249-N259 WeakPolarHBondContact O-CB 3.27Å
250I98.5Very high98.2Very high20 Ų2049.9 Ų49.910%0.10327%0.265CS..Hα-helixtrans-99.3-8.9-17866.2165.1000113.4L112 V115 I121 L247 K248 N259L112-I250 HydrophobicContact CB-CD1 4.37Å; V115-I250 HydrophobicContact CG1-CD1 3.49Å; V115-I250 VanDerWaalsContact CG1-CD1 3.49Å; V115-I250 HydrophobicContact CG1-CG1 4.15Å; I121-I250 HydrophobicContact CB-CD1 3.73Å; I121-I250 HydrophobicContact CG1-CD1 3.75Å; L247-I250 HydrophobicContact CD1-CD1 4.28Å; L247-I250 HydrophobicContact CD1-CG1 4.25Å; L247-I250 WeakPolarHBondContact O-CG1 3.46Å; L247-I250 PolarHBondContact O-N 2.73Å; K248-I250 VanDerWaalsContact C-N 3.34Å; K248-I250 PolarHBondContact O-N 3.49Å; I250-N259 VanDerWaalsContact C-CB 3.4Å; I250-N259 VanDerWaalsContact O-CB 3.3Å; I250-N259 WeakPolarHBondContact O-CB 3.43Å; I250-N259 PolarHBondContact O-ND2 3.03Å
251M98.6Very high98.3Very high0 Ų051.8 Ų51.80%028%0.277CS..SBendtrans-79.8146.3179.1-74.4-74.1-56.700111.2L112 F164 F241 L247 Y255 G257 C258 N259L112-M251 HydrophobicContact CD1-CE 4.38Å; L112-M251 HydrophobicContact CD1-CG 4.42Å; L112-M251 HydrophobicContact CD1-SD 3.26Å; L112-M251 WeakPolarHBondContact CD1-SD 3.4Å; F164-M251 HydrophobicContact CB-SD 4.49Å; F164-M251 HydrophobicContact CD1-CE 4.01Å; F164-M251 HydrophobicContact CD2-CE 3.58Å; F164-M251 HydrophobicContact CD2-SD 3.98Å; F164-M251 HydrophobicContact CE1-CE 3.98Å; F164-M251 HydrophobicContact CE2-CE 3.56Å; F164-M251 HydrophobicContact CE2-SD 4.44Å; F164-M251 HydrophobicContact CG-CE 3.81Å; F164-M251 HydrophobicContact CG-SD 4.24Å; F164-M251 HydrophobicContact CZ-CE 3.75Å; F241-M251 HydrophobicContact CE1-CB 4.21Å; F241-M251 HydrophobicContact CE1-CG 3.91Å; F241-M251 HydrophobicContact CZ-CB 4.38Å; L247-M251 HydrophobicContact CD1-CG 3.72Å; L247-M251 HydrophobicContact CD1-SD 3.94Å; L247-M251 HydrophobicContact CG-CG 3.8Å; L247-M251 HydrophobicContact CG-SD 4.45Å; L247-M251 WeakPolarHBondContact O-CG 3.38Å; L247-M251 PolarHBondContact O-N 3.24Å; L247-M251 VanDerWaalsContact O-N 3.1Å; M251-Y255 HydrophobicContact CE-CD1 4.33Å; M251-Y255 HydrophobicContact CE-CD2 4.44Å; M251-Y255 HydrophobicContact CE-CG 3.87Å; M251-G257 CarbonylContact O-C 3.55Å; M251-G257 VanDerWaalsContact O-C 3.31Å; M251-G257 VanDerWaalsContact O-CA 3.23Å; M251-G257 WeakPolarHBondContact O-CA 3.48Å; M251-C258 PolarHBondContact O-N 2.93Å; M251-C258 VanDerWaalsContact O-N 3.08Å; M251-N259 VanDerWaalsContact O-CB 3.23Å; M251-N259 WeakPolarHBondContact O-CB 3.49Å; M251-N259 PolarHBondContact O-N 3.12Å
252P98.6Very high98.3Very high0 Ų051.5 Ų51.50%028%0.276CS..  trans-67.4157.9176.3-8.220.6000112.3L112 E254 Y255 G257 G260 I262 L265L112-P252 HydrophobicContact CD2-CG 3.9Å; P252-E254 VanDerWaalsContact C-N 3.26Å; P252-E254 WeakPolarHBondContact CB-OE2 3.45Å; P252-E254 PolarHBondContact O-N 2.85Å; P252-Y255 HydrophobicContact CB-CD2 3.89Å; P252-Y255 HydrophobicContact CB-CE2 4.33Å; P252-Y255 HydrophobicContact CG-CD2 3.71Å; P252-Y255 HydrophobicContact CG-CE2 4.01Å; P252-Y255 PolarHBondContact O-N 2.64Å; P252-G257 PolarHBondContact O-N 3.11Å; P252-G257 VanDerWaalsContact O-N 3.08Å; P252-G260 CarbonylContact C-O 3.56Å; P252-G260 VanDerWaalsContact CA-O 3.28Å; P252-G260 WeakPolarHBondContact CA-O 3.02Å; P252-I262 HydrophobicContact CB-CB 4.01Å; P252-I262 HydrophobicContact CB-CD1 4.43Å; P252-I262 HydrophobicContact CG-CB 4.19Å; P252-I262 HydrophobicContact CG-CD1 3.68Å; P252-I262 HydrophobicContact CG-CG1 4.42Å; P252-L265 HydrophobicContact CB-CD1 4.29Å; P252-L265 HydrophobicContact CG-CD1 3.91Å
253E98.5Very high98.3Very high118 Ų11850.5 Ų50.555%0.55127%0.272SS*.G310 helixtrans-58-35.9-179.6-72.1176-179.800112.8Y255 G256 G260E253-Y255 PolarHBondContact O-N 3.24Å; E253-G256 PolarHBondContact O-N 2.86Å; E253-G260 PolarHBondContact N-O 3.28Å
254E97.7Very high98.4Very high96 Ų9649.1 Ų49.145%0.44927%0.27SS..G310 helixtrans-63.9-12.6178.5-58.689.7160.100113.4P252 I262P252-E254 VanDerWaalsContact C-N 3.26Å; P252-E254 WeakPolarHBondContact CB-OE2 3.45Å; P252-E254 PolarHBondContact O-N 2.85Å; E254-I262 WeakPolarHBondContact OE1-CG2 3.28Å; E254-I262 PolarHBondContact OE1-N 3.27Å; E254-I262 VanDerWaalsContact OE1-N 3.12Å; E254-I262 PolarHBondContact OE2-N 2.92Å
255Y97.9Very high98.4Very high16 Ų1649.9 Ų49.96%0.06327%0.274CS..G310 helixtrans-113.113.8177.2-55.2-92.3000112.1I123 R125 F164 D166 Y205 T237 F241 M251 P252 E253 G257I123-Y255 HydrophobicContact CD1-CD1 4.22Å; I123-Y255 HydrophobicContact CD1-CD2 4.13Å; I123-Y255 HydrophobicContact CD1-CE1 3.66Å; I123-Y255 HydrophobicContact CD1-CE2 3.57Å; I123-Y255 HydrophobicContact CD1-CG 4.43Å; I123-Y255 WeakPolarHBondContact CD1-OH 3.49Å; R125-Y255 PolarHBondContact NE-OH 3.05Å; F164-Y255 AromaticContact CE1-CD1 3.76Å; F164-Y255 HydrophobicContact CE1-CD1 3.76Å; F164-Y255 HydrophobicContact CE1-CE1 4.08Å; F164-Y255 HydrophobicContact CZ-CD1 4.12Å; D166-Y255 HydrophobicContact CB-CE1 4.02Å; D166-Y255 PolarHBondContact OD2-OH 3.22Å; D166-Y255 VanDerWaalsContact OD2-OH 3.12Å; Y205-Y255 HydrophobicContact CD1-CD1 4.01Å; Y205-Y255 AromaticContact CD1-CE1 3.98Å; Y205-Y255 HydrophobicContact CD1-CE1 3.98Å; Y205-Y255 AromaticContact CE1-CD1 3.65Å; Y205-Y255 HydrophobicContact CE1-CD1 3.65Å; Y205-Y255 AromaticContact CE1-CE1 3.74Å; Y205-Y255 HydrophobicContact CE1-CE1 3.74Å; T237-Y255 WeakPolarHBondContact CB-O 3.37Å; T237-Y255 WeakPolarHBondContact CG2-O 3.4Å; T237-Y255 PolarHBondContact OG1-O 3.3Å; F241-Y255 WeakPolarHBondContact CZ-O 3.38Å; M251-Y255 HydrophobicContact CE-CD1 4.33Å; M251-Y255 HydrophobicContact CE-CD2 4.44Å; M251-Y255 HydrophobicContact CE-CG 3.87Å; P252-Y255 HydrophobicContact CB-CD2 3.89Å; P252-Y255 HydrophobicContact CB-CE2 4.33Å; P252-Y255 HydrophobicContact CG-CD2 3.71Å; P252-Y255 HydrophobicContact CG-CE2 4.01Å; P252-Y255 PolarHBondContact O-N 2.64Å; E253-Y255 PolarHBondContact O-N 3.24Å; Y255-G257 VanDerWaalsContact C-N 3.33Å
256G97.6Very high98.4Very high39 Ų3947 Ų4740%0.40226%0.255SS..THydrogen-bonded Turntrans77.516.1-178.700000114.3K248 E253K248-G256 WeakPolarHBondContact CE-O 3Å; E253-G256 PolarHBondContact O-N 2.86Å
257G98.4Very high98.4Very high10 Ų1050 Ų5010%0.10327%0.271CS..  trans-91.4-171.3176.100000113.8K248 M251 P252 Y255K248-G257 CarbonylContact O-C 3.51Å; K248-G257 WeakPolarHBondContact O-CA 3.43Å; M251-G257 CarbonylContact O-C 3.55Å; M251-G257 VanDerWaalsContact O-C 3.31Å; M251-G257 VanDerWaalsContact O-CA 3.23Å; M251-G257 WeakPolarHBondContact O-CA 3.48Å; P252-G257 PolarHBondContact O-N 3.11Å; P252-G257 VanDerWaalsContact O-N 3.08Å; Y255-G257 VanDerWaalsContact C-N 3.33Å
258C98.2Very high98.4Very high86 Ų8653.7 Ų53.758%0.58129%0.291SS*.SBendtrans-121.910.9-174.4-530000113.9K248 M251 G260K248-C258 PolarHBondContact O-N 3.5Å; M251-C258 PolarHBondContact O-N 2.93Å; M251-C258 VanDerWaalsContact O-N 3.08Å; C258-G260 VanDerWaalsContact C-N 3.31Å; C258-G260 PolarHBondContact O-N 2.79Å
259N98.1Very high98.4Very high53 Ų5350.7 Ų50.728%0.28328%0.278SS..SBendtrans-95.133.6-173.5-159.820.3000113.4L112 Q249 I250 M251L112-N259 PolarHBondContact O-ND2 3.28Å; L112-N259 VanDerWaalsContact O-ND2 3.09Å; Q249-N259 WeakPolarHBondContact O-CB 3.27Å; I250-N259 VanDerWaalsContact C-CB 3.4Å; I250-N259 VanDerWaalsContact O-CB 3.3Å; I250-N259 WeakPolarHBondContact O-CB 3.43Å; I250-N259 PolarHBondContact O-ND2 3.03Å; M251-N259 VanDerWaalsContact O-CB 3.23Å; M251-N259 WeakPolarHBondContact O-CB 3.49Å; M251-N259 PolarHBondContact O-N 3.12Å
260G98.4Very high98.4Very high19 Ų1947.5 Ų47.520%0.19626%0.262CS..  trans65.4-173-175.700000114.2P252 E253 C258P252-G260 CarbonylContact C-O 3.56Å; P252-G260 VanDerWaalsContact CA-O 3.28Å; P252-G260 WeakPolarHBondContact CA-O 3.02Å; E253-G260 PolarHBondContact N-O 3.28Å; C258-G260 VanDerWaalsContact C-N 3.31Å; C258-G260 PolarHBondContact O-N 2.79Å
261P98.6Very high98.4Very high39 Ų3953.8 Ų53.825%0.25328%0.284SS..  trans-73.5145.2-18030-34.7000111.6K263 D264P261-K263 PolarHBondContact O-N 3.46Å; P261-D264 HydrophobicContact CG-CB 4.32Å; P261-D264 WeakPolarHBondContact CG-OD2 3.37Å; P261-D264 PolarHBondContact O-N 2.95Å
262I98.6Very high98.3Very high12 Ų1257.2 Ų57.26%0.06230%0.303CS..Hα-helixtrans-56-29.6-179-172.858.6000112.9V110 L112 I123 P252 E254 D264 L265 I266V110-I262 HydrophobicContact CG1-CD1 4.4Å; L112-I262 HydrophobicContact CD2-CD1 4.48Å; I123-I262 HydrophobicContact CG2-CD1 3.95Å; P252-I262 HydrophobicContact CB-CB 4.01Å; P252-I262 HydrophobicContact CB-CD1 4.43Å; P252-I262 HydrophobicContact CG-CB 4.19Å; P252-I262 HydrophobicContact CG-CD1 3.68Å; P252-I262 HydrophobicContact CG-CG1 4.42Å; E254-I262 WeakPolarHBondContact OE1-CG2 3.28Å; E254-I262 PolarHBondContact OE1-N 3.27Å; E254-I262 VanDerWaalsContact OE1-N 3.12Å; E254-I262 PolarHBondContact OE2-N 2.92Å; I262-D264 VanDerWaalsContact C-N 3.28Å; I262-D264 PolarHBondContact O-N 3.14Å; I262-L265 HydrophobicContact CD1-CB 4.44Å; I262-L265 HydrophobicContact CD1-CD1 4.35Å; I262-L265 PolarHBondContact O-N 3.23Å; I262-I266 HydrophobicContact CG1-CD1 4.01Å; I262-I266 HydrophobicContact CG1-CG1 4.31Å; I262-I266 VanDerWaalsContact O-CG1 3.28Å; I262-I266 WeakPolarHBondContact O-CG1 3.3Å; I262-I266 PolarHBondContact O-N 3.38Å
263K98.5Very high98.3Very high151 Ų15157.2 Ų57.266%0.65730%0.303SS*.Hα-helixtrans-59.4-36.8178.6-174.8-178.1176-173.90112.8P261 I266 T267P261-K263 PolarHBondContact O-N 3.46Å; K263-I266 PolarHBondContact O-N 2.73Å; K263-T267 PolarHBondContact O-N 3.46Å; K263-T267 PolarHBondContact O-OG1 3.17Å
264D98.6Very high98.3Very high95 Ų9553.9 Ų53.951%0.50829%0.287SS..Hα-helixtrans-73.4-38.8-178.9-68-9000110.5P261 I262 T267 L268P261-D264 HydrophobicContact CG-CB 4.32Å; P261-D264 WeakPolarHBondContact CG-OD2 3.37Å; P261-D264 PolarHBondContact O-N 2.95Å; I262-D264 VanDerWaalsContact C-N 3.28Å; I262-D264 PolarHBondContact O-N 3.14Å; D264-T267 PolarHBondContact O-N 3.22Å; D264-L268 WeakPolarHBondContact O-CB 3.38Å; D264-L268 PolarHBondContact O-N 2.93Å
265L98.6Very high98.2Very high18 Ų1853.2 Ų53.29%0.09429%0.289CS..Hα-helixtrans-64.5-39.1174-58.4177.8000111.8V110 L112 P252 I262 L268 D269V110-L265 HydrophobicContact CG1-CB 4.02Å; L112-L265 HydrophobicContact CD2-CD1 3.65Å; P252-L265 HydrophobicContact CB-CD1 4.29Å; P252-L265 HydrophobicContact CG-CD1 3.91Å; I262-L265 HydrophobicContact CD1-CB 4.44Å; I262-L265 HydrophobicContact CD1-CD1 4.35Å; I262-L265 PolarHBondContact O-N 3.23Å; L265-L268 PolarHBondContact O-N 2.73Å; L265-D269 WeakPolarHBondContact O-CB 3.37Å; L265-D269 PolarHBondContact O-N 3.24Å
266I98.7Very high98.1Very high19 Ų1955.3 Ų55.310%0.09730%0.299CS..Hα-helixtrans-61-46.1172.9-69.8165.8000110.7L104 V110 I262 K263 L268 D269 K270L104-I266 VanDerWaalsContact O-CG2 3.29Å; L104-I266 WeakPolarHBondContact O-CG2 3.29Å; V110-I266 HydrophobicContact CG2-CG1 3.78Å; I262-I266 HydrophobicContact CG1-CD1 4.01Å; I262-I266 HydrophobicContact CG1-CG1 4.31Å; I262-I266 VanDerWaalsContact O-CG1 3.28Å; I262-I266 WeakPolarHBondContact O-CG1 3.3Å; I262-I266 PolarHBondContact O-N 3.38Å; K263-I266 PolarHBondContact O-N 2.73Å; I266-L268 PolarHBondContact O-N 2.84Å; I266-D269 PolarHBondContact O-N 2.94Å; I266-K270 WeakPolarHBondContact O-CB 3.44Å; I266-K270 PolarHBondContact O-N 3.04Å
267T98.7Very high98.1Very high71 Ų7154.9 Ų54.944%0.43629%0.285SS..Hα-helixtrans-63.2-42.8179-58.20000111.5K263 D264 R271K263-T267 PolarHBondContact O-N 3.46Å; K263-T267 PolarHBondContact O-OG1 3.17Å; D264-T267 PolarHBondContact O-N 3.22Å; T267-R271 PolarHBondContact O-N 2.72Å
268L98.5Very high97.9Very high78 Ų7858.4 Ų58.441%0.40831%0.308SS..Hα-helixtrans-63.5-44.4175.2178.560.2000111.5D264 L265 I266 R271 N272D264-L268 WeakPolarHBondContact O-CB 3.38Å; D264-L268 PolarHBondContact O-N 2.93Å; L265-L268 PolarHBondContact O-N 2.73Å; I266-L268 PolarHBondContact O-N 2.84Å; L268-R271 PolarHBondContact O-N 2.78Å; L268-N272 VanDerWaalsContact O-CG 3.29Å; L268-N272 PolarHBondContact O-N 3.05Å; L268-N272 PolarHBondContact O-ND2 3.05Å
269D98.3Very high97.6Very high7 Ų761.1 Ų61.14%0.03731%0.313CS..Hα-helixtrans-63.8-44.1-179.8-171.244000112V110 P111 N146 R149 L265 I266 R271 N272 F273V110-D269 HydrophobicContact CG1-CB 4.32Å; P111-D269 VanDerWaalsContact CD-OD1 3.23Å; P111-D269 WeakPolarHBondContact CD-OD1 3.29Å; P111-D269 WeakPolarHBondContact CD-OD2 3.42Å; P111-D269 HydrophobicContact CG-CB 4.23Å; P111-D269 WeakPolarHBondContact CG-OD1 3.27Å; N146-D269 PolarHBondContact ND2-OD2 3.07Å; R149-D269 IonicContact CZ-OD1 2.64Å; R149-D269 IonicContact NH1-OD1 3.14Å; R149-D269 IonicContact NH2-OD1 2.73Å; R149-D269 PolarHBondContact NH2-OD1 3.4Å; R149-D269 IonicContact NH2-OD2 2.69Å; L265-D269 WeakPolarHBondContact O-CB 3.37Å; L265-D269 PolarHBondContact O-N 3.24Å; I266-D269 PolarHBondContact O-N 2.94Å; D269-R271 VanDerWaalsContact C-N 3.29Å; D269-R271 PolarHBondContact O-N 3.12Å; D269-N272 PolarHBondContact O-N 3.18Å; D269-N272 VanDerWaalsContact O-N 3.15Å; D269-F273 WeakPolarHBondContact O-CB 3.4Å; D269-F273 PolarHBondContact O-N 2.71Å
270K98.6Very high97.2Very high51 Ų5164.9 Ų64.922%0.22234%0.337CS..Hα-helixtrans-53.3-47.3174.3179.4170.9-171.91740111.5D101 L104 D105 I266 F273 K274D101-K270 WeakPolarHBondContact OD1-CE 3.48Å; D101-K270 IonicContact OD1-NZ 2.72Å; D101-K270 PolarHBondContact OD1-NZ 3.43Å; L104-K270 HydrophobicContact CB-CB 4.08Å; L104-K270 HydrophobicContact CB-CD 4.17Å; L104-K270 HydrophobicContact CB-CG 3.91Å; L104-K270 HydrophobicContact CD1-CB 4.45Å; L104-K270 HydrophobicContact CD1-CG 3.91Å; L104-K270 HydrophobicContact CG-CG 4.48Å; D105-K270 WeakPolarHBondContact OD1-CD 3.3Å; D105-K270 WeakPolarHBondContact OD1-CE 3.22Å; D105-K270 IonicContact OD1-NZ 2.98Å; D105-K270 PolarHBondContact OD1-NZ 3.44Å; D105-K270 IonicContact OD2-NZ 3.58Å; D105-K270 PolarHBondContact OD2-NZ 3.17Å; I266-K270 WeakPolarHBondContact O-CB 3.44Å; I266-K270 PolarHBondContact O-N 3.04Å; K270-F273 PolarHBondContact O-N 2.62Å; K270-K274 VanDerWaalsContact O-CG 3.27Å; K270-K274 WeakPolarHBondContact O-CG 3.3Å; K270-K274 PolarHBondContact O-N 2.97Å
271R98.4Very high96.8Very high151 Ų15164.8 Ų64.857%0.5733%0.333SS*.Hα-helixtrans-60.8-51.8176.5-173.4-174.3-61.6130.91.5110.9T267 L268 D269 F273 K274 T275T267-R271 PolarHBondContact O-N 2.72Å; L268-R271 PolarHBondContact O-N 2.78Å; D269-R271 VanDerWaalsContact C-N 3.29Å; D269-R271 PolarHBondContact O-N 3.12Å; R271-F273 PolarHBondContact O-N 3.08Å; R271-K274 PolarHBondContact O-N 3.46Å; R271-T275 PolarHBondContact O-N 3.45Å; R271-T275 PolarHBondContact O-OG1 2.96Å; R271-T275 VanDerWaalsContact O-OG1 3.1Å
272N97.7Very high96.4Very high73 Ų7364.6 Ų64.639%0.3933%0.333SS..Hα-helixtrans-61.3-35-179-68.9-15.5000112.1R149 L268 D269 F276R149-N272 PolarHBondContact NH1-O 3.17Å; L268-N272 VanDerWaalsContact O-CG 3.29Å; L268-N272 PolarHBondContact O-N 3.05Å; L268-N272 PolarHBondContact O-ND2 3.05Å; D269-N272 PolarHBondContact O-N 3.18Å; D269-N272 VanDerWaalsContact O-N 3.15Å; N272-F276 WeakPolarHBondContact O-CB 3.45Å; N272-F276 PolarHBondContact O-N 3.37Å
273F97.9Very high96.2Very high0 Ų064.4 Ų64.40%033%0.332CS..Hα-helixtrans-67.7-50178.5-177.5-78.4000110.1L95 V100 L104 M145 N146 D269 K270 R271 T275 F276 Y277L95-F273 HydrophobicContact CD1-CD1 4.19Å; L95-F273 HydrophobicContact CD1-CE1 3.93Å; V100-F273 HydrophobicContact CG1-CD1 4.39Å; V100-F273 HydrophobicContact CG1-CE1 3.81Å; L104-F273 HydrophobicContact CD1-CB 4.22Å; L104-F273 HydrophobicContact CD1-CD1 3.67Å; L104-F273 HydrophobicContact CD1-CE1 4.27Å; L104-F273 HydrophobicContact CD1-CG 4.05Å; L104-F273 HydrophobicContact CD2-CB 3.84Å; L104-F273 HydrophobicContact CD2-CD1 4.1Å; L104-F273 HydrophobicContact CD2-CD2 3.92Å; L104-F273 HydrophobicContact CD2-CE2 4.49Å; L104-F273 HydrophobicContact CD2-CG 3.69Å; L104-F273 HydrophobicContact CG-CD1 4.43Å; L104-F273 HydrophobicContact CG-CG 4.48Å; M145-F273 HydrophobicContact CB-CE2 3.84Å; M145-F273 HydrophobicContact CB-CZ 3.8Å; M145-F273 HydrophobicContact CE-CE1 4.23Å; M145-F273 HydrophobicContact CE-CZ 3.77Å; M145-F273 HydrophobicContact SD-CZ 4.21Å; N146-F273 HydrophobicContact CB-CD2 4.25Å; N146-F273 HydrophobicContact CB-CE2 4.06Å; D269-F273 WeakPolarHBondContact O-CB 3.4Å; D269-F273 PolarHBondContact O-N 2.71Å; K270-F273 PolarHBondContact O-N 2.62Å; R271-F273 PolarHBondContact O-N 3.08Å; F273-T275 VanDerWaalsContact C-N 3.34Å; F273-T275 PolarHBondContact O-N 3.14Å; F273-F276 PolarHBondContact O-N 3.48Å; F273-Y277 AromaticContact CD1-CD2 3.98Å; F273-Y277 HydrophobicContact CD1-CD2 3.98Å; F273-Y277 HydrophobicContact CD2-CD2 4.15Å; F273-Y277 HydrophobicContact CD2-CE2 4.21Å; F273-Y277 AromaticContact CE1-CD2 3.69Å; F273-Y277 HydrophobicContact CE1-CD2 3.69Å; F273-Y277 HydrophobicContact CE1-CE2 4.33Å; F273-Y277 HydrophobicContact CE1-CG 4.37Å; F273-Y277 AromaticContact CE2-CD2 3.88Å; F273-Y277 HydrophobicContact CE2-CD2 3.88Å; F273-Y277 AromaticContact CE2-CE2 3.74Å; F273-Y277 HydrophobicContact CE2-CE2 3.74Å; F273-Y277 HydrophobicContact CG-CD2 4.2Å; F273-Y277 AromaticContact CZ-CD2 3.64Å; F273-Y277 HydrophobicContact CZ-CD2 3.64Å; F273-Y277 AromaticContact CZ-CE2 3.81Å; F273-Y277 HydrophobicContact CZ-CE2 3.81Å; F273-Y277 PolarHBondContact O-N 2.86Å
274K97.7Very high95.9Very high48 Ų4861.1 Ų61.121%0.20933%0.328CS..Hα-helixtrans-63.2-40.1178.8-66.4-88.9177.6168.30111.3L95 D101 L104 K270 R271 S278L95-K274 HydrophobicContact CD1-CD 3.73Å; L95-K274 HydrophobicContact CD2-CD 4.23Å; L95-K274 HydrophobicContact CG-CD 3.84Å; L95-K274 PolarHBondContact O-NZ 2.74Å; D101-K274 VanDerWaalsContact CG-NZ 3.29Å; D101-K274 WeakPolarHBondContact OD1-CE 3.44Å; D101-K274 IonicContact OD1-NZ 2.73Å; D101-K274 PolarHBondContact OD1-NZ 2.96Å; D101-K274 IonicContact OD2-NZ 2.71Å; D101-K274 PolarHBondContact OD2-NZ 2.89Å; L104-K274 HydrophobicContact CD1-CG 4.27Å; K270-K274 VanDerWaalsContact O-CG 3.27Å; K270-K274 WeakPolarHBondContact O-CG 3.3Å; K270-K274 PolarHBondContact O-N 2.97Å; R271-K274 PolarHBondContact O-N 3.46Å; K274-S278 WeakPolarHBondContact O-CB 3.4Å; K274-S278 PolarHBondContact O-N 3.15Å
275T97.2Very high95.7Very high81 Ų8159.9 Ų59.950%0.49732%0.324SS..Hα-helixtrans-61.8-48.6174.6-62.70000111.7R271 F273 S278R271-T275 PolarHBondContact O-N 3.45Å; R271-T275 PolarHBondContact O-OG1 2.96Å; R271-T275 VanDerWaalsContact O-OG1 3.1Å; F273-T275 VanDerWaalsContact C-N 3.34Å; F273-T275 PolarHBondContact O-N 3.14Å; T275-S278 PolarHBondContact O-N 2.72Å; T275-S278 PolarHBondContact O-OG 3.38Å
276F95.8Very high95.6Very high61 Ų6159.9 Ų59.927%0.26832%0.323SS..Hα-helixtrans-61.1-49179.5-178.3-81.9000112R149 L152 N272 F273 S278 Q279R149-F276 HydrophobicContact CB-CD1 4.44Å; R149-F276 HydrophobicContact CB-CD2 4.09Å; R149-F276 HydrophobicContact CB-CE1 4.45Å; R149-F276 HydrophobicContact CB-CE2 4.09Å; R149-F276 HydrophobicContact CB-CG 4.26Å; R149-F276 HydrophobicContact CB-CZ 4.26Å; R149-F276 HydrophobicContact CG-CB 4.2Å; R149-F276 HydrophobicContact CG-CD1 3.51Å; R149-F276 HydrophobicContact CG-CD2 3.96Å; R149-F276 HydrophobicContact CG-CE1 3.74Å; R149-F276 HydrophobicContact CG-CE2 4.16Å; R149-F276 HydrophobicContact CG-CG 3.62Å; R149-F276 HydrophobicContact CG-CZ 4.05Å; L152-F276 HydrophobicContact CD1-CE2 4.42Å; L152-F276 HydrophobicContact CD1-CZ 3.89Å; N272-F276 WeakPolarHBondContact O-CB 3.45Å; N272-F276 PolarHBondContact O-N 3.37Å; F273-F276 PolarHBondContact O-N 3.48Å; F276-S278 VanDerWaalsContact C-N 3.29Å; F276-S278 PolarHBondContact O-N 3.48Å; F276-Q279 PolarHBondContact O-N 2.98Å
277Y96Very high95.5Very high29 Ų2965.6 Ų65.611%0.11435%0.348CS..Hα-helixtrans-82.4-1.2-177.7-79.2-72.5000114.5M145 E148 R149 F273 Q279 C281M145-Y277 VanDerWaalsContact C-OH 3.25Å; M145-Y277 WeakPolarHBondContact CA-OH 3.32Å; M145-Y277 HydrophobicContact CB-CE2 3.81Å; M145-Y277 WeakPolarHBondContact CB-OH 3.46Å; M145-Y277 HydrophobicContact CE-CD1 3.78Å; M145-Y277 HydrophobicContact CE-CD2 4.09Å; M145-Y277 HydrophobicContact CE-CE1 3.78Å; M145-Y277 HydrophobicContact CE-CE2 4.1Å; M145-Y277 HydrophobicContact CE-CG 3.94Å; M145-Y277 WeakPolarHBondContact O-CE2 3.42Å; M145-Y277 PolarHBondContact O-OH 3.44Å; E148-Y277 PolarHBondContact OE2-OH 3.3Å; R149-Y277 HydrophobicContact CG-CE2 3.86Å; F273-Y277 AromaticContact CD1-CD2 3.98Å; F273-Y277 HydrophobicContact CD1-CD2 3.98Å; F273-Y277 HydrophobicContact CD2-CD2 4.15Å; F273-Y277 HydrophobicContact CD2-CE2 4.21Å; F273-Y277 AromaticContact CE1-CD2 3.69Å; F273-Y277 HydrophobicContact CE1-CD2 3.69Å; F273-Y277 HydrophobicContact CE1-CE2 4.33Å; F273-Y277 HydrophobicContact CE1-CG 4.37Å; F273-Y277 AromaticContact CE2-CD2 3.88Å; F273-Y277 HydrophobicContact CE2-CD2 3.88Å; F273-Y277 AromaticContact CE2-CE2 3.74Å; F273-Y277 HydrophobicContact CE2-CE2 3.74Å; F273-Y277 HydrophobicContact CG-CD2 4.2Å; F273-Y277 AromaticContact CZ-CD2 3.64Å; F273-Y277 HydrophobicContact CZ-CD2 3.64Å; F273-Y277 AromaticContact CZ-CE2 3.81Å; F273-Y277 HydrophobicContact CZ-CE2 3.81Å; F273-Y277 PolarHBondContact O-N 2.86Å; Y277-Q279 PolarHBondContact O-N 2.87Å; Y277-C281 HydrophobicContact CD1-CB 4.49Å; Y277-C281 HydrophobicContact CE1-CB 4.05Å
278S95.5Very high95.4Very high85 Ų8563.4 Ų63.459%0.59433%0.334SS*.THydrogen-bonded Turntrans-66.5-19.3165.872.80000111.9K274 T275 F276K274-S278 WeakPolarHBondContact O-CB 3.4Å; K274-S278 PolarHBondContact O-N 3.15Å; T275-S278 PolarHBondContact O-N 2.72Å; T275-S278 PolarHBondContact O-OG 3.38Å; F276-S278 VanDerWaalsContact C-N 3.29Å; F276-S278 PolarHBondContact O-N 3.48Å
279Q91.5Very high95.3Very high143 Ų14362.5 Ų62.567%0.66833%0.33SS*.SBendtrans-102.6155.7174.6-55.7177.18.900110.3F276 Y277 C281F276-Q279 PolarHBondContact O-N 2.98Å; Y277-Q279 PolarHBondContact O-N 2.87Å; Q279-C281 PolarHBondContact O-N 3.37Å
280T88.6Confident95.1Very high131 Ų13165.2 Ų65.280%0.80434%0.342SS*.PPolyproline II helixtrans-66.7116174.6-57.50000110.3C282T280-C282 PolarHBondContact O-N 3.14Å
281C90.8Very high95Very high17 Ų1767.8 Ų67.812%0.11537%0.367CS..PPolyproline II helixtrans-66.5129.8173.3-179.10000110.4Y277 Q279 L283 S284Y277-C281 HydrophobicContact CD1-CB 4.49Å; Y277-C281 HydrophobicContact CE1-CB 4.05Å; Q279-C281 PolarHBondContact O-N 3.37Å; C281-L283 PolarHBondContact O-N 3.25Å; C281-L283 VanDerWaalsContact O-N 3.15Å; C281-S284 WeakPolarHBondContact O-CB 3.43Å; C281-S284 PolarHBondContact O-N 3.19Å; C281-S284 VanDerWaalsContact O-N 3.14Å; C281-S284 PolarHBondContact O-OG 3.49Å
282C91.2Very high94.8Very high36 Ų3666 Ų6624%0.24336%0.363CS..G310 helixtrans-58.4-29.9-179.665.90000112.5P48 T280 S284 V285P48-C282 HydrophobicContact CB-CB 4.3Å; P48-C282 VanDerWaalsContact CG-O 3.29Å; P48-C282 WeakPolarHBondContact CG-O 3.44Å; T280-C282 PolarHBondContact O-N 3.14Å; C282-S284 PolarHBondContact O-N 3.2Å; C282-V285 WeakPolarHBondContact O-CG2 3.46Å
283L93.8Very high94.7Very high8 Ų863.6 Ų63.64%0.04235%0.348CS..G310 helixtrans-67.9-15.2-178.2-54.5-178.8000114P48 F53 E148 C281 V285 I286P48-L283 HydrophobicContact CG-CD2 4.26Å; F53-L283 HydrophobicContact CD2-CD2 3.32Å; F53-L283 HydrophobicContact CE2-CD2 3.22Å; F53-L283 HydrophobicContact CG-CD2 4.05Å; F53-L283 HydrophobicContact CZ-CD2 3.93Å; E148-L283 HydrophobicContact CB-CD1 4.01Å; E148-L283 HydrophobicContact CG-CD1 3.61Å; E148-L283 WeakPolarHBondContact OE1-CD1 3.08Å; C281-L283 PolarHBondContact O-N 3.25Å; C281-L283 VanDerWaalsContact O-N 3.15Å; L283-V285 PolarHBondContact O-N 3.49Å; L283-V285 VanDerWaalsContact O-N 3.14Å; L283-I286 HydrophobicContact CB-CD1 4.16Å; L283-I286 HydrophobicContact CD2-CD1 4.13Å; L283-I286 WeakPolarHBondContact O-CB 3.28Å; L283-I286 VanDerWaalsContact O-CG1 3.3Å; L283-I286 WeakPolarHBondContact O-CG1 3.28Å; L283-I286 PolarHBondContact O-N 2.94Å
284S92.2Very high94.4Very high82 Ų8265.8 Ų65.857%0.57336%0.363SS*.G310 helixtrans-63-18.2-179.160.50000114.3C281 C282 I286C281-S284 WeakPolarHBondContact O-CB 3.43Å; C281-S284 PolarHBondContact O-N 3.19Å; C281-S284 VanDerWaalsContact O-N 3.14Å; C281-S284 PolarHBondContact O-OG 3.49Å; C282-S284 PolarHBondContact O-N 3.2Å; S284-I286 VanDerWaalsContact C-N 3.33Å
285V94.5Very high94Very high68 Ų6870.2 Ų70.241%0.41239%0.388SS..G310 helixtrans-84-6.9180-51.80000113.6T46 P48 C282 L283 K287T46-V285 WeakPolarHBondContact CG2-O 3.29Å; P48-V285 HydrophobicContact CB-CG2 4.29Å; P48-V285 HydrophobicContact CG-CG2 3.83Å; C282-V285 WeakPolarHBondContact O-CG2 3.46Å; L283-V285 PolarHBondContact O-N 3.49Å; L283-V285 VanDerWaalsContact O-N 3.14Å; V285-K287 PolarHBondContact O-N 3.44Å
286I96.5Very high93.4Very high18 Ų1871 Ų719%0.09240%0.397CS..  trans-62.9124.6-174.4-67.5170.5000110.5T46 P48 F53 F75 C76 L283 S284T46-I286 VanDerWaalsContact O-CA 3.28Å; T46-I286 WeakPolarHBondContact O-CA 3.46Å; P48-I286 HydrophobicContact CG-CG1 4.16Å; F53-I286 HydrophobicContact CZ-CD1 4.4Å; F75-I286 HydrophobicContact CD1-CD1 4.19Å; F75-I286 HydrophobicContact CE1-CD1 3.65Å; C76-I286 HydrophobicContact CB-CG2 3.92Å; L283-I286 HydrophobicContact CB-CD1 4.16Å; L283-I286 HydrophobicContact CD2-CD1 4.13Å; L283-I286 WeakPolarHBondContact O-CB 3.28Å; L283-I286 VanDerWaalsContact O-CG1 3.3Å; L283-I286 WeakPolarHBondContact O-CG1 3.28Å; L283-I286 PolarHBondContact O-N 2.94Å; S284-I286 VanDerWaalsContact C-N 3.33Å
287K96.8Very high92.8Very high140 Ų14068.3 Ų68.361%0.60939%0.386SS*.EExtended strand (participates in β ladder)trans-140.6152173.3-59.4178.4-177.7177.50110.3T46 V285T46-K287 PolarHBondContact N-O 3.15Å; T46-K287 PolarHBondContact O-N 3.09Å; T46-K287 VanDerWaalsContact O-N 3.08Å; V285-K287 PolarHBondContact O-N 3.44Å
288V96.8Very high92.2Very high24 Ų2470.9 Ų70.915%0.14540%0.399CS..EExtended strand (participates in β ladder)trans-127.2125.6171.9-177.60000110.1H44 L45 C76 C80 L81H44-V288 CarbonylContact O-C 3.5Å; H44-V288 WeakPolarHBondContact O-CA 3.21Å; L45-V288 HydrophobicContact CD2-CG1 4.37Å; L45-V288 HydrophobicContact CD2-CG2 3.84Å; C76-V288 HydrophobicContact CB-CG2 3.69Å; C76-V288 WeakPolarHBondContact O-CG2 3.43Å; C80-V288 HydrophobicContact CB-CB 3.77Å; C80-V288 HydrophobicContact CB-CG2 3.8Å; L81-V288 HydrophobicContact CD1-CG1 4.26Å; L81-V288 HydrophobicContact CD2-CB 4.26Å; L81-V288 HydrophobicContact CD2-CG1 4.01Å; L81-V288 HydrophobicContact CG-CG1 4.29Å
289D96.1Very high91.3Very high59 Ų5973.7 Ų73.732%0.31641%0.407SS..  trans-107.690.9170.4-176.7-8.6000108.9H44 S291 K292H44-D289 WeakPolarHBondContact CA-O 3.34Å; H44-D289 WeakPolarHBondContact CB-O 3.42Å; H44-D289 PolarHBondContact O-N 3Å; D289-S291 PolarHBondContact O-N 3.16Å; D289-S291 VanDerWaalsContact O-N 3.14Å; D289-S291 WeakPolarHBondContact OD1-CB 3.4Å; D289-S291 PolarHBondContact OD1-N 3.28Å; D289-S291 PolarHBondContact OD1-OG 3.08Å; D289-K292 HydrophobicContact CB-CD 4.36Å; D289-K292 PolarHBondContact O-N 3.39Å; D289-K292 WeakPolarHBondContact OD2-CD 3.39Å; D289-K292 VanDerWaalsContact OD2-CE 3.24Å; D289-K292 WeakPolarHBondContact OD2-CE 3.47Å; D289-K292 IonicContact OD2-NZ 3.68Å; D289-K292 PolarHBondContact OD2-NZ 3.23Å
290E94.1Very high90.9Very high64 Ų6469.2 Ų69.230%0.29938%0.384SS..G310 helixtrans-61.3-25.2-173.8-164.872.1164.900112.7L81 K83 K292 R293L81-E290 HydrophobicContact CD1-CG 4.4Å; L81-E290 VanDerWaalsContact CD1-OE2 3.26Å; L81-E290 WeakPolarHBondContact CD1-OE2 3.26Å; L81-E290 HydrophobicContact CD2-CB 4.09Å; K83-E290 IonicContact NZ-OE1 3.94Å; K83-E290 PolarHBondContact NZ-OE1 3.25Å; E290-K292 PolarHBondContact O-N 2.79Å; E290-R293 WeakPolarHBondContact O-CB 3.4Å; E290-R293 PolarHBondContact O-N 3.49Å; E290-R293 VanDerWaalsContact O-N 3.13Å; E290-R293 IonicContact OE1-NE 2.82Å; E290-R293 PolarHBondContact OE1-NE 2.76Å; E290-R293 IonicContact OE2-CZ 2.95Å; E290-R293 VanDerWaalsContact OE2-CZ 3.26Å; E290-R293 IonicContact OE2-NE 3.3Å; E290-R293 PolarHBondContact OE2-NE 3.41Å; E290-R293 IonicContact OE2-NH2 2.83Å; E290-R293 PolarHBondContact OE2-NH2 3.23Å
291S95.1Very high90.6Very high106 Ų10664.1 Ų64.174%0.74135%0.352SS*.G310 helixtrans-64.7-22177.576.20000113.2D289D289-S291 PolarHBondContact O-N 3.16Å; D289-S291 VanDerWaalsContact O-N 3.14Å; D289-S291 WeakPolarHBondContact OD1-CB 3.4Å; D289-S291 PolarHBondContact OD1-N 3.28Å; D289-S291 PolarHBondContact OD1-OG 3.08Å
292K96Very high90Very high113 Ų11370.9 Ų70.949%0.49138%0.375SS..G310 helixtrans-96.7-1.7178.7-66.1-179.91791320113.2P43 H44 D289 E290 P294P43-K292 HydrophobicContact CB-CB 4.21Å; P43-K292 HydrophobicContact CB-CD 4.43Å; P43-K292 HydrophobicContact CG-CB 4.31Å; P43-K292 WeakPolarHBondContact CG-O 3.41Å; P43-K292 WeakPolarHBondContact O-CD 3.23Å; H44-K292 HydrophobicContact CB-CB 4.18Å; D289-K292 HydrophobicContact CB-CD 4.36Å; D289-K292 PolarHBondContact O-N 3.39Å; D289-K292 WeakPolarHBondContact OD2-CD 3.39Å; D289-K292 VanDerWaalsContact OD2-CE 3.24Å; D289-K292 WeakPolarHBondContact OD2-CE 3.47Å; D289-K292 IonicContact OD2-NZ 3.68Å; D289-K292 PolarHBondContact OD2-NZ 3.23Å; E290-K292 PolarHBondContact O-N 2.79Å; K292-P294 WeakPolarHBondContact O-CD 3.46Å
293R94.9Very high89.5Confident22 Ų2277.4 Ų77.48%0.08340%0.402CS..  trans-68.5123.1-174.3-179.6-176.5-64.9-83.4-7.1109.9H44 D73 S77 E290 A297 Q298H44-R293 HydrophobicContact CB-CB 3.97Å; H44-R293 PolarHBondContact CD2-NH1 2.86Å; H44-R293 PolarHBondContact CD2-NH2 2.92Å; H44-R293 PolarHBondContact NE2-NH1 2.75Å; D73-R293 IonicContact OD1-CZ 2.79Å; D73-R293 IonicContact OD1-NH1 2.76Å; D73-R293 PolarHBondContact OD1-NH1 2.88Å; D73-R293 IonicContact OD1-NH2 3.66Å; D73-R293 IonicContact OD2-CZ 2.64Å; D73-R293 IonicContact OD2-NH1 3.36Å; D73-R293 PolarHBondContact OD2-NH1 3.26Å; S77-R293 PolarHBondContact OG-NH2 3.23Å; E290-R293 WeakPolarHBondContact O-CB 3.4Å; E290-R293 PolarHBondContact O-N 3.49Å; E290-R293 VanDerWaalsContact O-N 3.13Å; E290-R293 IonicContact OE1-NE 2.82Å; E290-R293 PolarHBondContact OE1-NE 2.76Å; E290-R293 IonicContact OE2-CZ 2.95Å; E290-R293 VanDerWaalsContact OE2-CZ 3.26Å; E290-R293 IonicContact OE2-NE 3.3Å; E290-R293 PolarHBondContact OE2-NE 3.41Å; E290-R293 IonicContact OE2-NH2 2.83Å; E290-R293 PolarHBondContact OE2-NH2 3.23Å; R293-A297 HydrophobicContact CG-CB 4.19Å; R293-A297 PolarHBondContact NH1-O 3.25Å; R293-A297 VanDerWaalsContact NH1-O 3.17Å; R293-Q298 HydrophobicContact CG-CG 4.32Å
294P92.1Very high88.7Confident46 Ų4678 Ų7830%0.29940%0.404SS..  trans-67.2149175.328.4-33.1000110.7K292 S296 A297K292-P294 WeakPolarHBondContact O-CD 3.46Å; P294-S296 PolarHBondContact O-N 2.95Å; P294-S296 VanDerWaalsContact O-N 3.15Å; P294-A297 HydrophobicContact CG-CB 3.86Å; P294-A297 PolarHBondContact O-N 3.15Å
295L88.3Confident88.2Confident142 Ų14282 Ų8274%0.74341%0.411SS*.G310 helixtrans-53.9-36.1178.2-68176.3000112.4A297 Q298L295-A297 PolarHBondContact O-N 3.29Å; L295-Q298 WeakPolarHBondContact O-CB 3.08Å; L295-Q298 PolarHBondContact O-N 3.48Å
296S85.4Confident87.6Confident97 Ų9784.5 Ų84.568%0.67842%0.422SS*.G310 helixtrans-63.8-2117855.30000114.5P294 Y300P294-S296 PolarHBondContact O-N 2.95Å; P294-S296 VanDerWaalsContact O-N 3.15Å; S296-Y300 WeakPolarHBondContact O-CE1 3.46Å
297A83.7Confident86.4Confident4 Ų485.2 Ų85.23%0.03343%0.425CS..G310 helixtrans-102.510.417900000113.2R293 P294 L295 Y300R293-A297 HydrophobicContact CG-CB 4.19Å; R293-A297 PolarHBondContact NH1-O 3.25Å; R293-A297 VanDerWaalsContact NH1-O 3.17Å; P294-A297 HydrophobicContact CG-CB 3.86Å; P294-A297 PolarHBondContact O-N 3.15Å; L295-A297 PolarHBondContact O-N 3.29Å; A297-Y300 HydrophobicContact CB-CE2 3.93Å
298Q82.2Confident85.3Confident84 Ų8485.4 Ų85.439%0.39343%0.428SS..SBendtrans-80.1156.7173.1-64.2-177.2-4.300110.6R293 L295 Y300R293-Q298 HydrophobicContact CG-CG 4.32Å; L295-Q298 WeakPolarHBondContact O-CB 3.08Å; L295-Q298 PolarHBondContact O-N 3.48Å; Q298-Y300 PolarHBondContact O-N 3.41Å; Q298-Y300 VanDerWaalsContact O-N 3.12Å
299N77Confident83.6Confident144 Ų14488.5 Ų88.577%0.7745%0.451SS*.SBendtrans61.123.1172.2-51-37.6000115.7M301N299-M301 PolarHBondContact O-N 2.95Å
300Y83.5Confident81.7Confident49 Ų4990.6 Ų90.619%0.19247%0.466CS..  trans-61.1-25.9172.6-82.9-0.4000113.6K70 D73 N74 S296 A297 Q298K70-Y300 HydrophobicContact CB-CD2 4.25Å; K70-Y300 HydrophobicContact CB-CG 4.21Å; K70-Y300 HydrophobicContact CD-CG 4.48Å; K70-Y300 WeakPolarHBondContact CD-O 3.28Å; K70-Y300 WeakPolarHBondContact CE-O 3.3Å; K70-Y300 HydrophobicContact CG-CG 4.09Å; K70-Y300 PolarHBondContact NZ-O 3.44Å; D73-Y300 HydrophobicContact CB-CD2 3.77Å; D73-Y300 HydrophobicContact CB-CE2 4.16Å; N74-Y300 PolarHBondContact ND2-O 3.21Å; N74-Y300 WeakPolarHBondContact OD1-CB 3.38Å; S296-Y300 WeakPolarHBondContact O-CE1 3.46Å; A297-Y300 HydrophobicContact CB-CE2 3.93Å; Q298-Y300 PolarHBondContact O-N 3.41Å; Q298-Y300 VanDerWaalsContact O-N 3.12Å
301M81.4Confident79.8Confident24 Ų2491.2 Ų91.212%0.11847%0.474CS..SBendtrans-95.4134.4-177.1-156.5169.9-77.900111.5N74 I78 K189 E193 N299N74-M301 HydrophobicContact CB-CE 3.46Å; N74-M301 VanDerWaalsContact CB-CE 3.46Å; N74-M301 WeakPolarHBondContact O-CE 3.43Å; N74-M301 PolarHBondContact OD1-N 3.13Å; I78-M301 HydrophobicContact CB-CE 3.98Å; I78-M301 HydrophobicContact CD1-CE 4.47Å; I78-M301 HydrophobicContact CD1-SD 4.48Å; I78-M301 HydrophobicContact CG1-CE 4.27Å; I78-M301 HydrophobicContact CG1-SD 4.49Å; K189-M301 HydrophobicContact CD-SD 4.11Å; K189-M301 WeakPolarHBondContact CE-SD 3.45Å; K189-M301 HydrophobicContact CG-SD 4.08Å; E193-M301 HydrophobicContact CB-CG 3.93Å; E193-M301 HydrophobicContact CG-CG 4.09Å; N299-M301 PolarHBondContact O-N 2.95Å
302R79.3Confident77.7Confident158 Ų15890.2 Ų90.260%0.59646%0.459SS*.PPolyproline II helixtrans-60.5142173.1-175.4-179.5178.3-179.91.9110.6Y304R302-Y304 HydrophobicContact CB-CE2 4.2Å; R302-Y304 HydrophobicContact CG-CE2 4.49Å; R302-Y304 WeakPolarHBondContact O-CD2 3.44Å
303E79.1Confident75.3Confident174 Ų17487.2 Ų87.281%0.81346%0.46SS*.PPolyproline II helixtrans-77.7131.6169.6-67.9-168.8166.500111.4
304Y78.4Confident72.8Confident20 Ų2092.9 Ų92.98%0.07849%0.492CS..PPolyproline II helixtrans-103.9116.6173.7-74.8-113.9000106.3K185 M188 K189 Q192 E193 W221 R302K185-Y304 WeakPolarHBondContact CE-O 3.11Å; K185-Y304 PolarHBondContact NZ-O 3.3Å; M188-Y304 HydrophobicContact CB-CE1 4.38Å; K189-Y304 HydrophobicContact CB-CD2 4.38Å; K189-Y304 HydrophobicContact CB-CE2 4.32Å; K189-Y304 HydrophobicContact CD-CD2 4.33Å; K189-Y304 HydrophobicContact CG-CD2 4.2Å; K189-Y304 HydrophobicContact CG-CE2 4.17Å; Q192-Y304 VanDerWaalsContact CB-OH 3.3Å; Q192-Y304 WeakPolarHBondContact CB-OH 3.49Å; Q192-Y304 PolarHBondContact NE2-OH 2.88Å; E193-Y304 HydrophobicContact CG-CE2 3.71Å; E193-Y304 PolarHBondContact OE1-OH 3.43Å; W221-Y304 HydrophobicContact CB-CD1 3.96Å; W221-Y304 HydrophobicContact CB-CE1 4.13Å; W221-Y304 AromaticContact CD1-CD1 3.63Å; W221-Y304 AromaticContact CG-CD1 3.91Å; W221-Y304 HydrophobicContact CG-CD1 3.91Å; R302-Y304 HydrophobicContact CB-CE2 4.2Å; R302-Y304 HydrophobicContact CG-CE2 4.49Å; R302-Y304 WeakPolarHBondContact O-CD2 3.44Å
305K82Confident70.2Confident167 Ų167100.6 Ų100.673%0.72652%0.521SS*.PPolyproline II helixtrans-65145.9176.1-65.2-174.2178.2-174.50110W221W221-K305 PolarHBondContact NE1-O 3.41Å
306D81.7Confident67.9Low120 Ų12096.2 Ų96.264%0.64251%0.51SS*.PPolyproline II helixtrans-65.9147.1166.9-65-43.1000109.4K185K185-D306 IonicContact NZ-OD1 3.2Å; K185-D306 PolarHBondContact NZ-OD1 3.06Å; K185-D306 IonicContact NZ-OD2 3.95Å
307M70.5Confident65.6Low33 Ų3397.7 Ų97.716%0.16352%0.515CS..PPolyproline II helixtrans-72.1132.8171.6-73.9-161-47.900109.2P181 V217 F220 W221 M312P181-M307 HydrophobicContact CB-CE 4.28Å; P181-M307 HydrophobicContact CG-CE 4.12Å; V217-M307 HydrophobicContact CB-CE 3.94Å; V217-M307 HydrophobicContact CB-SD 4.14Å; V217-M307 HydrophobicContact CG1-CE 3.45Å; V217-M307 VanDerWaalsContact CG1-CE 3.45Å; V217-M307 HydrophobicContact CG1-SD 3.88Å; V217-M307 HydrophobicContact CG2-CE 3.63Å; V217-M307 HydrophobicContact CG2-SD 4.19Å; F220-M307 HydrophobicContact CB-SD 4.29Å; F220-M307 HydrophobicContact CD1-CG 3.59Å; F220-M307 HydrophobicContact CD1-SD 4.29Å; F220-M307 HydrophobicContact CE1-CG 3.85Å; F220-M307 HydrophobicContact CG-CG 4.13Å; F220-M307 HydrophobicContact CG-SD 4.36Å; W221-M307 HydrophobicContact CH2-CE 4.37Å; W221-M307 HydrophobicContact CH2-CG 3.99Å; W221-M307 HydrophobicContact CH2-SD 4.4Å; W221-M307 HydrophobicContact CZ2-CG 3.71Å; M307-M312 HydrophobicContact CE-CG 4.08Å; M307-M312 HydrophobicContact CE-SD 3.92Å
308E73.4Confident63.6Low143 Ų143107.3 Ų107.367%0.66856%0.557SS**PPolyproline II helixtrans-66.7143.2169.9-63.5-179.5-176.200109.4T310 T311E308-T310 WeakPolarHBondContact CB-OG1 3.45Å; E308-T310 PolarHBondContact O-N 2.91Å; E308-T310 VanDerWaalsContact O-N 3.1Å; E308-T310 PolarHBondContact OE2-OG1 2.61Å; E308-T311 PolarHBondContact N-OG1 3.22Å; E308-T311 WeakPolarHBondContact O-CB 3.24Å; E308-T311 PolarHBondContact O-N 3.45Å; E308-T311 PolarHBondContact O-OG1 2.88Å
309S62.1Low61.8Low90 Ų90110.2 Ų110.263%0.62957%0.573SS**G310 helixtrans-57.6-26.617955.10000112.9T311 M312S309-T311 VanDerWaalsContact C-N 3.3Å; S309-T311 PolarHBondContact O-N 3.06Å; S309-M312 PolarHBondContact O-N 3.05Å
310T54.5Low60.2Low102 Ų102108.3 Ų108.363%0.62657%0.571SS**G310 helixtrans-64.7-29.5175.550.50000113.1E308 M312 G313E308-T310 WeakPolarHBondContact CB-OG1 3.45Å; E308-T310 PolarHBondContact O-N 2.91Å; E308-T310 VanDerWaalsContact O-N 3.1Å; E308-T310 PolarHBondContact OE2-OG1 2.61Å; T310-M312 VanDerWaalsContact C-N 3.27Å; T310-M312 PolarHBondContact O-N 3.14Å; T310-G313 PolarHBondContact O-N 2.84Å
311T54.6Low58.3Low77 Ų77113.6 Ų113.647%0.47260%0.602SS.*G310 helixtrans-67.6-26.1-179-22.10000112.9E308 S309 G313E308-T311 PolarHBondContact N-OG1 3.22Å; E308-T311 WeakPolarHBondContact O-CB 3.24Å; E308-T311 PolarHBondContact O-N 3.45Å; E308-T311 PolarHBondContact O-OG1 2.88Å; S309-T311 VanDerWaalsContact C-N 3.3Å; S309-T311 PolarHBondContact O-N 3.06Å; T311-G313 VanDerWaalsContact C-N 3.26Å; T311-G313 PolarHBondContact O-N 3.46Å
312M51.1Low56.7Low85 Ų85117.9 Ų117.942%0.41963%0.625SS.*G310 helixtrans-82.42.4-179.1-74.2-74.9-83.700113.7V217 M307 S309 T310V217-M312 HydrophobicContact CG2-CE 4.32Å; V217-M312 HydrophobicContact CG2-SD 3.51Å; V217-M312 VanDerWaalsContact CG2-SD 3.51Å; M307-M312 HydrophobicContact CE-CG 4.08Å; M307-M312 HydrophobicContact CE-SD 3.92Å; S309-M312 PolarHBondContact O-N 3.05Å; T310-M312 VanDerWaalsContact C-N 3.27Å; T310-M312 PolarHBondContact O-N 3.14Å
313G46.6Very low55.7Low50 Ų50115.7 Ų115.752%0.51563%0.632SS.*  trans59.466172.900000113T310 T311 K315T310-G313 PolarHBondContact O-N 2.84Å; T311-G313 VanDerWaalsContact C-N 3.26Å; T311-G313 PolarHBondContact O-N 3.46Å; G313-K315 PolarHBondContact O-N 3.13Å
314N42Very low54.2Low142 Ų142114.5 Ų114.576%0.75963%0.631SS**  trans-67.326.9171.4-73.6-7.1000114
315K36.5Very low52.6Low207 Ų207123.9 Ų123.990%0.968%0.682SS**  trans-103.450.4169-75-168.7176.1-176.10110.6G313G313-K315 PolarHBondContact O-N 3.13Å
316G41.2Very low51.2Low50 Ų50121.7 Ų121.752%0.51568%0.68SS.*  trans-96.396.815700000107.2F318G316-F318 WeakPolarHBondContact O-CD2 3.33Å; G316-F318 PolarHBondContact O-N 3.22Å
317T36.9Very low49.6Very low129 Ų129121.8 Ų121.879%0.79168%0.682SS**  trans-59105.5165.9-43.40000106.5I319T317-I319 PolarHBondContact O-N 3.04Å
318F42.3Very low48.4Very low206 Ų206126.7 Ų126.790%0.90471%0.711SS**  trans-66.1100.6169.2-69.4-89.3000106.6G316 S320G316-F318 WeakPolarHBondContact O-CD2 3.33Å; G316-F318 PolarHBondContact O-N 3.22Å; F318-S320 PolarHBondContact O-N 3.26Å
319I44Very low46.9Very low144 Ų144125.8 Ų125.874%0.73871%0.714SS**  trans-78.2111.9164.5-56.7178.5000105T317 L321T317-I319 PolarHBondContact O-N 3.04Å; I319-L321 PolarHBondContact O-N 2.6Å
320S43.8Very low46Very low105 Ų105128 Ų12873%0.73472%0.719SS**  trans-58.9117.1168.7-173.20000107.5F318 N322F318-S320 PolarHBondContact O-N 3.26Å; S320-N322 PolarHBondContact O-N 3.14Å; S320-N322 VanDerWaalsContact O-N 3.12Å
321L42.4Very low45.4Very low160 Ų160129.7 Ų129.784%0.83873%0.725SS**  trans-66.9110.4167.9-70.9166.5000106.4I319I319-L321 PolarHBondContact O-N 2.6Å
322N48.5Very low44.7Very low113 Ų113133.5 Ų133.560%0.60474%0.743SS**  trans-72.8130.3170.7-153.79.5000107.1S320 D324S320-N322 PolarHBondContact O-N 3.14Å; S320-N322 VanDerWaalsContact O-N 3.12Å; N322-D324 PolarHBondContact O-N 2.73Å
323P57.2Low44.3Very low112 Ų112137.2 Ų137.273%0.72777%0.768SS**THydrogen-bonded Turntrans-72.92.3-169.4-15.229.7000115.9
324D49.6Very low44.1Very low149 Ų149144.5 Ų144.580%0.79779%0.789SS**THydrogen-bonded Turntrans-113.915.4-173.4-64.7-33.6000114.4N322N322-D324 PolarHBondContact O-N 2.73Å
325D44.5Very low44.2Very low217 Ų217144.7 Ų144.7100%1.1679%0.792SS**  trans-101.30167.1-78.8-24.3000111.6

Retrieved 325 of 325 residues in 920.8 ms (Link to these results)

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