A0A077Z988_TRITR Loading...

BZIP 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z988, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 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
1M41.2Very low49.1Very low106 Ų10685 Ų8552%0.52247%0.472SS..  089.90-166.5173.1-96.800108.1T27 D28M1-T27 HydrophobicContact CE-CG2 3.82Å; M1-D28 WeakPolarHBondContact CA-OD1 3.48Å; M1-D28 WeakPolarHBondContact CA-OD2 3.38Å; M1-D28 PolarHBondContact N-OD2 2.93Å
2E37.9Very low50Low142 Ų14288.5 Ų88.566%0.66449%0.487SS*.  trans-97.3104.5176.2-159.5174.1-161.200106.7Q4 D28E2-Q4 PolarHBondContact O-N 2.99Å; E2-D28 PolarHBondContact N-OD1 3.28Å
3V45.7Very low50.3Low37 Ų3784.7 Ų84.722%0.22447%0.474CS..  trans-72.297.3-179.8178.60000107.7N5 A6 F25 L128V3-N5 PolarHBondContact O-N 3.31Å; V3-A6 HydrophobicContact CG1-CB 4.29Å; V3-F25 HydrophobicContact CG1-CD1 3.85Å; V3-F25 HydrophobicContact CG2-CD1 4.1Å; V3-L128 HydrophobicContact CB-CD2 3.77Å; V3-L128 HydrophobicContact CG1-CD2 4.14Å; V3-L128 HydrophobicContact CG2-CD2 4.19Å
4Q44.9Very low50.9Low132 Ų13286.2 Ų86.262%0.61749%0.493SS*.  trans-72.9-25.4-171.8-72.6-174.4-2.100113.9E2E2-Q4 PolarHBondContact O-N 2.99Å
5N46.8Very low51Low124 Ų12488.5 Ų88.566%0.66351%0.512SS*.  trans-159121.3175.6-74-64.2000109.3V3V3-N5 PolarHBondContact O-N 3.31Å
6A50.2Low51.4Low46 Ų4687.4 Ų87.438%0.3851%0.508SS..  trans-105.7114.4167.400000109.1V3 D24V3-A6 HydrophobicContact CG1-CB 4.29Å; A6-D24 WeakPolarHBondContact CA-O 3.43Å
7S50.7Low52Low64 Ų6491.1 Ų91.145%0.44852%0.516SS..EExtended strand (participates in β ladder)trans-93.8129.1167.135.80000109.4D24S7-D24 PolarHBondContact O-N 3.21Å; S7-D24 WeakPolarHBondContact OG-CB 3.38Å; S7-D24 PolarHBondContact OG-OD2 3.46Å
8I57Low52.3Low56 Ų5689 Ų8929%0.28750%0.502SS..EExtended strand (participates in β ladder)trans-110.6116.6173.1-48.9-175.5000107.9I21 L22 L23 I120 A124I8-I21 HydrophobicContact CG2-CG2 3.74Å; I8-L22 WeakPolarHBondContact CA-O 3.35Å; I8-L23 HydrophobicContact CB-CD2 4.34Å; I8-L23 HydrophobicContact CD1-CD2 3.83Å; I8-L23 HydrophobicContact CG1-CD2 3.66Å; I8-L23 HydrophobicContact CG2-CD2 4.02Å; I8-I120 HydrophobicContact CB-CG2 3.88Å; I8-I120 HydrophobicContact CD1-CG2 3.56Å; I8-I120 HydrophobicContact CG1-CG2 4.29Å; I8-I120 HydrophobicContact CG2-CG2 3.52Å; I8-A124 HydrophobicContact CD1-CB 3.61Å
9S53.8Low52.7Low58 Ų5886.9 Ų86.941%0.40649%0.491SS..EExtended strand (participates in β ladder)trans-116.9123.2169.866.80000109.5L22S9-L22 PolarHBondContact N-O 3Å; S9-L22 PolarHBondContact O-N 2.78Å; S9-L22 WeakPolarHBondContact OG-CD1 3.34Å
10A55.2Low53.6Low52 Ų5285.2 Ų85.243%0.4348%0.478SS..EExtended strand (participates in β ladder)trans-99.1118.517200000109.2V19 K20A10-V19 HydrophobicContact CB-CG1 4.35Å; A10-K20 VanDerWaalsContact CA-O 3.3Å; A10-K20 WeakPolarHBondContact CA-O 3.43Å
11E57.1Low54.5Low118 Ų11882.5 Ų82.555%0.55146%0.462SS*.EExtended strand (participates in β ladder)trans-111.2122173.4-169.5-179.1179.400108.9A13 K20E11-A13 PolarHBondContact O-N 3.08Å; E11-K20 PolarHBondContact N-O 3.1Å; E11-K20 PolarHBondContact O-N 2.97Å
12I59.5Low55.9Low127 Ų12778.8 Ų78.865%0.65144%0.444SS*.EExtended strand (participates in β ladder)trans-87102.6175-58.8174.8000107.6S14I12-S14 PolarHBondContact O-N 3.11Å
13A53.6Low57.7Low39 Ų3973.3 Ų73.332%0.32242%0.419SS..EExtended strand (participates in β ladder)trans-79.887.8175.100000109.9E11 T16 K17 Q18E11-A13 PolarHBondContact O-N 3.08Å; A13-T16 PolarHBondContact O-N 3.21Å; A13-T16 PolarHBondContact O-OG1 2.95Å; A13-K17 PolarHBondContact O-N 3.38Å; A13-Q18 PolarHBondContact N-O 3.45Å
14S58.5Low58.9Low106 Ų10673.3 Ų73.374%0.74142%0.418SS*.THydrogen-bonded Turntrans-72135.5164.3-168.70000109.2I12I12-S14 PolarHBondContact O-N 3.11Å
15P52.4Low60.1Low120 Ų12068.7 Ų68.778%0.77940%0.396SS*.THydrogen-bonded Turncis-91.3-5.219.433.9-34.9000115.7K17P15-K17 VanDerWaalsContact C-N 3.29Å; P15-K17 PolarHBondContact O-N 3.13Å
16T58.5Low60.9Low72 Ų7269.4 Ų69.444%0.44239%0.389SS..THydrogen-bonded Turntrans-80.1-2.3-170.259.30000115.5A13 Q18A13-T16 PolarHBondContact O-N 3.21Å; A13-T16 PolarHBondContact O-OG1 2.95Å; T16-Q18 PolarHBondContact O-N 3.4Å; T16-Q18 WeakPolarHBondContact OG1-CG 3.5Å
17K61.1Low61.7Low149 Ų14968.5 Ų68.565%0.64838%0.379SS*.THydrogen-bonded Turntrans50.423-173.2-65.2-177.9-178.5179.90113A13 P15 V19 P41A13-K17 PolarHBondContact O-N 3.38Å; P15-K17 VanDerWaalsContact C-N 3.29Å; P15-K17 PolarHBondContact O-N 3.13Å; K17-V19 PolarHBondContact O-N 3.24Å; K17-P41 HydrophobicContact CB-CG 3.62Å; K17-P41 VanDerWaalsContact O-CD 3.26Å; K17-P41 WeakPolarHBondContact O-CD 3.46Å; K17-P41 WeakPolarHBondContact O-CG 3.43Å
18Q58.1Low62.2Low54 Ų5470.5 Ų70.525%0.25239%0.385SS..EExtended strand (participates in β ladder)trans-75.2127176.6-72.9175.626.500108.6A13 T16 L40A13-Q18 PolarHBondContact N-O 3.45Å; T16-Q18 PolarHBondContact O-N 3.4Å; T16-Q18 WeakPolarHBondContact OG1-CG 3.5Å; Q18-L40 HydrophobicContact CG-CD2 3.58Å; Q18-L40 HydrophobicContact CG-CG 4.38Å
19V59.9Low63.1Low50 Ų5073 Ų7330%0.30340%0.399SS..EExtended strand (participates in β ladder)trans-92112.8169.7-176.60000106.9A10 K17 I21 V39A10-V19 HydrophobicContact CB-CG1 4.35Å; K17-V19 PolarHBondContact O-N 3.24Å; V19-I21 HydrophobicContact CG1-CG1 4.07Å; V19-V39 HydrophobicContact CB-CB 4.19Å; V19-V39 PolarHBondContact N-O 2.84Å; V19-V39 VanDerWaalsContact N-O 3.08Å; V19-V39 PolarHBondContact O-N 2.86Å
20K69Low64.1Low51 Ų5172.7 Ų72.722%0.22241%0.405CS..EExtended strand (participates in β ladder)trans-91116.4171.4-175.8-175.1177.9-166.50108.1A10 E11 L22 L37 Y38A10-K20 VanDerWaalsContact CA-O 3.3Å; A10-K20 WeakPolarHBondContact CA-O 3.43Å; E11-K20 PolarHBondContact N-O 3.1Å; E11-K20 PolarHBondContact O-N 2.97Å; K20-L22 HydrophobicContact CD-CD1 4.18Å; K20-L22 HydrophobicContact CG-CD1 4.46Å; K20-L22 HydrophobicContact CG-CG 4.5Å; K20-L37 WeakPolarHBondContact CA-O 3.3Å; K20-Y38 HydrophobicContact CD-CE1 4.29Å; K20-Y38 HydrophobicContact CG-CE1 4.15Å
21I72.7Confident64.6Low29 Ų2975.6 Ų75.615%0.14941%0.409CS..EExtended strand (participates in β ladder)trans-102.5116.3172.6-52.8173.5000107I8 V19 L23 C36 L37 V39I8-I21 HydrophobicContact CG2-CG2 3.74Å; V19-I21 HydrophobicContact CG1-CG1 4.07Å; I21-L23 HydrophobicContact CG2-CD2 3.94Å; I21-L23 HydrophobicContact CG2-CG 4.25Å; I21-C36 WeakPolarHBondContact O-CA 3.47Å; I21-L37 HydrophobicContact CB-CB 4.22Å; I21-L37 PolarHBondContact N-O 3.11Å; I21-L37 PolarHBondContact O-N 3.06Å; I21-V39 HydrophobicContact CD1-CG2 4.13Å
22L71.3Confident65.1Low29 Ų2975 Ų7515%0.15241%0.409CS..EExtended strand (participates in β ladder)trans-96.8125169.8-73.5134.9000108.4I8 S9 K20 V34 V35 C36I8-L22 WeakPolarHBondContact CA-O 3.35Å; S9-L22 PolarHBondContact N-O 3Å; S9-L22 PolarHBondContact O-N 2.78Å; S9-L22 WeakPolarHBondContact OG-CD1 3.34Å; K20-L22 HydrophobicContact CD-CD1 4.18Å; K20-L22 HydrophobicContact CG-CD1 4.46Å; K20-L22 HydrophobicContact CG-CG 4.5Å; L22-V34 HydrophobicContact CD2-CG1 3.64Å; L22-V35 WeakPolarHBondContact CA-O 3.42Å; L22-C36 WeakPolarHBondContact CD2-SG 3.32Å
23L75.5Confident65.5Low26 Ų2672.5 Ų72.514%0.13640%0.397CS..EExtended strand (participates in β ladder)trans-112.9114.7170.9-53.2171.8000108I8 I21 F25 V35 L37I8-L23 HydrophobicContact CB-CD2 4.34Å; I8-L23 HydrophobicContact CD1-CD2 3.83Å; I8-L23 HydrophobicContact CG1-CD2 3.66Å; I8-L23 HydrophobicContact CG2-CD2 4.02Å; I21-L23 HydrophobicContact CG2-CD2 3.94Å; I21-L23 HydrophobicContact CG2-CG 4.25Å; L23-F25 HydrophobicContact CB-CD2 4.34Å; L23-F25 HydrophobicContact CB-CE2 3.49Å; L23-F25 VanDerWaalsContact CB-CE2 3.49Å; L23-F25 HydrophobicContact CB-CZ 3.85Å; L23-F25 HydrophobicContact CD1-CE2 4.27Å; L23-F25 HydrophobicContact CD1-CZ 4.12Å; L23-V35 HydrophobicContact CB-CB 4.21Å; L23-V35 PolarHBondContact N-O 2.87Å; L23-V35 PolarHBondContact O-N 3.08Å; L23-L37 HydrophobicContact CD1-CD1 4.09Å
24D72Confident66.4Low38 Ų3873.8 Ų73.820%0.20340%0.401CS..EExtended strand (participates in β ladder)trans-96122175.5-61.7-34.9000109.6A6 S7 L32 V34A6-D24 WeakPolarHBondContact CA-O 3.43Å; S7-D24 PolarHBondContact O-N 3.21Å; S7-D24 WeakPolarHBondContact OG-CB 3.38Å; S7-D24 PolarHBondContact OG-OD2 3.46Å; D24-L32 HydrophobicContact CB-CD1 4.14Å; D24-V34 WeakPolarHBondContact OD1-CG1 3.48Å; D24-V34 WeakPolarHBondContact OD1-CG2 3.41Å
25F69.2Low67.3Low35 Ų3570 Ų7015%0.15437%0.373CS..EExtended strand (participates in β ladder)trans-113.9134.1173.2-55.1-90.9000109.2V3 L23 L32 L33 V35V3-F25 HydrophobicContact CG1-CD1 3.85Å; V3-F25 HydrophobicContact CG2-CD1 4.1Å; L23-F25 HydrophobicContact CB-CD2 4.34Å; L23-F25 HydrophobicContact CB-CE2 3.49Å; L23-F25 VanDerWaalsContact CB-CE2 3.49Å; L23-F25 HydrophobicContact CB-CZ 3.85Å; L23-F25 HydrophobicContact CD1-CE2 4.27Å; L23-F25 HydrophobicContact CD1-CZ 4.12Å; F25-L32 CarbonylContact O-C 3.59Å; F25-L32 WeakPolarHBondContact O-CA 3.43Å; F25-L33 HydrophobicContact CB-CB 4.23Å; F25-L33 HydrophobicContact CD2-CD2 4.27Å; F25-L33 PolarHBondContact N-O 2.98Å; F25-L33 PolarHBondContact O-N 3.34Å; F25-V35 HydrophobicContact CD2-CG2 3.97Å; F25-V35 HydrophobicContact CE2-CB 4.2Å; F25-V35 HydrophobicContact CE2-CG2 3.7Å
26R63.3Low68.3Low138 Ų13866.6 Ų66.652%0.52135%0.352SS..EExtended strand (participates in β ladder)trans-96.9128.7164.2-79.6-172.8-179.2-158.2-1109.7Q31 L32R26-Q31 CarbonylContact C-O 3.56Å; R26-Q31 WeakPolarHBondContact CA-O 3.47Å; R26-L32 HydrophobicContact CG-CD1 4.01Å
27T67.5Low69.1Low27 Ų2764.2 Ų64.217%0.16634%0.336CS..  trans-79.5164.3172.959.20000110.6M1 D29 G30 Q31M1-T27 HydrophobicContact CE-CG2 3.82Å; T27-D29 WeakPolarHBondContact CB-OD1 3.44Å; T27-D29 PolarHBondContact O-N 3.46Å; T27-D29 PolarHBondContact OG1-OD1 2.99Å; T27-G30 WeakPolarHBondContact O-CA 3.5Å; T27-G30 PolarHBondContact O-N 3.34Å; T27-Q31 HydrophobicContact CG2-CB 4.48Å; T27-Q31 PolarHBondContact N-O 2.89Å; T27-Q31 WeakPolarHBondContact OG1-CA 3.37Å; T27-Q31 VanDerWaalsContact OG1-CB 3.26Å; T27-Q31 WeakPolarHBondContact OG1-CB 3.47Å; T27-Q31 PolarHBondContact OG1-N 3.49Å; T27-Q31 PolarHBondContact OG1-O 3.26Å; T27-Q31 VanDerWaalsContact OG1-O 3.12Å
28D61.9Low69.4Low107 Ų10762.6 Ų62.657%0.57233%0.327SS*.THydrogen-bonded Turntrans-62.6-25.6-177.6-59.5-24.6000112.3M1 E2 G30M1-D28 WeakPolarHBondContact CA-OD1 3.48Å; M1-D28 WeakPolarHBondContact CA-OD2 3.38Å; M1-D28 PolarHBondContact N-OD2 2.93Å; E2-D28 PolarHBondContact N-OD1 3.28Å; D28-G30 VanDerWaalsContact C-N 3.29Å
29D76.1Confident69.9Low109 Ų10963 Ų6358%0.58333%0.333SS*.THydrogen-bonded Turntrans-87.47.5173.265-32.2000113.6T27 Q31T27-D29 WeakPolarHBondContact CB-OD1 3.44Å; T27-D29 PolarHBondContact O-N 3.46Å; T27-D29 PolarHBondContact OG1-OD1 2.99Å; D29-Q31 VanDerWaalsContact OD2-CD 3.28Å; D29-Q31 WeakPolarHBondContact OD2-CG 3.3Å; D29-Q31 PolarHBondContact OD2-NE2 2.9Å
30G74.4Confident70Confident51 Ų5166.2 Ų66.253%0.52635%0.348SS..SBendtrans82.17.6174.200000115.3T27 D28T27-G30 WeakPolarHBondContact O-CA 3.5Å; T27-G30 PolarHBondContact O-N 3.34Å; D28-G30 VanDerWaalsContact C-N 3.29Å
31Q66.2Low69.3Low112 Ų11266.3 Ų66.352%0.52335%0.354SS..  trans-73.3143.2174.8-54.2-17520.300110.8R26 T27 D29R26-Q31 CarbonylContact C-O 3.56Å; R26-Q31 WeakPolarHBondContact CA-O 3.47Å; T27-Q31 HydrophobicContact CG2-CB 4.48Å; T27-Q31 PolarHBondContact N-O 2.89Å; T27-Q31 WeakPolarHBondContact OG1-CA 3.37Å; T27-Q31 VanDerWaalsContact OG1-CB 3.26Å; T27-Q31 WeakPolarHBondContact OG1-CB 3.47Å; T27-Q31 PolarHBondContact OG1-N 3.49Å; T27-Q31 PolarHBondContact OG1-O 3.26Å; T27-Q31 VanDerWaalsContact OG1-O 3.12Å; D29-Q31 VanDerWaalsContact OD2-CD 3.28Å; D29-Q31 WeakPolarHBondContact OD2-CG 3.3Å; D29-Q31 PolarHBondContact OD2-NE2 2.9Å
32L67.6Low68.2Low105 Ų10572.9 Ų72.955%0.5539%0.388SS..EExtended strand (participates in β ladder)trans-96.1114.5176.9-172.773000109.4D24 F25 R26 V34D24-L32 HydrophobicContact CB-CD1 4.14Å; F25-L32 CarbonylContact O-C 3.59Å; F25-L32 WeakPolarHBondContact O-CA 3.43Å; R26-L32 HydrophobicContact CG-CD1 4.01Å; L32-V34 HydrophobicContact CD2-CG2 3.91Å; L32-V34 HydrophobicContact CG-CG2 3.97Å
33L67.2Low67.3Low75 Ų7578.9 Ų78.939%0.39342%0.42SS..EExtended strand (participates in β ladder)trans-97.6113.6170.6-178.378000108.9F25 V35F25-L33 HydrophobicContact CB-CB 4.23Å; F25-L33 HydrophobicContact CD2-CD2 4.27Å; F25-L33 PolarHBondContact N-O 2.98Å; F25-L33 PolarHBondContact O-N 3.34Å; L33-V35 HydrophobicContact CD2-CG2 4.24Å; L33-V35 HydrophobicContact CG-CG2 4.28Å
34V72.4Confident66Low67 Ų6786.2 Ų86.241%0.40645%0.453SS..EExtended strand (participates in β ladder)trans-102.3116.8177.1-176.70000109.3L22 D24 L32L22-V34 HydrophobicContact CD2-CG1 3.64Å; D24-V34 WeakPolarHBondContact OD1-CG1 3.48Å; D24-V34 WeakPolarHBondContact OD1-CG2 3.41Å; L32-V34 HydrophobicContact CD2-CG2 3.91Å; L32-V34 HydrophobicContact CG-CG2 3.97Å
35V76.4Confident65Low25 Ų2593.6 Ų93.615%0.15248%0.483CS..EExtended strand (participates in β ladder)trans-103.5115176.4-175.20000108.9L22 L23 F25 L33 L37 L72L22-V35 WeakPolarHBondContact CA-O 3.42Å; L23-V35 HydrophobicContact CB-CB 4.21Å; L23-V35 PolarHBondContact N-O 2.87Å; L23-V35 PolarHBondContact O-N 3.08Å; F25-V35 HydrophobicContact CD2-CG2 3.97Å; F25-V35 HydrophobicContact CE2-CB 4.2Å; F25-V35 HydrophobicContact CE2-CG2 3.7Å; L33-V35 HydrophobicContact CD2-CG2 4.24Å; L33-V35 HydrophobicContact CG-CG2 4.28Å; V35-L37 HydrophobicContact CG1-CG 4.49Å; V35-L72 HydrophobicContact CG1-CD1 3.79Å; V35-L72 HydrophobicContact CG1-CD2 4.47Å
36C73.2Confident63.8Low49 Ų49100.6 Ų100.633%0.33152%0.517SS..EExtended strand (participates in β ladder)trans-97.7116.5174.2-70.60000110.3I21 L22 Y38I21-C36 WeakPolarHBondContact O-CA 3.47Å; L22-C36 WeakPolarHBondContact CD2-SG 3.32Å; C36-Y38 HydrophobicContact CB-CE2 4.02Å
37L76.3Confident63.1Low23 Ų23101.9 Ų101.912%0.1253%0.529CS..EExtended strand (participates in β ladder)trans-102.7129.5169.7-60.5165.7000109.2K20 I21 L23 V35 L70 L72 L169K20-L37 WeakPolarHBondContact CA-O 3.3Å; I21-L37 HydrophobicContact CB-CB 4.22Å; I21-L37 PolarHBondContact N-O 3.11Å; I21-L37 PolarHBondContact O-N 3.06Å; L23-L37 HydrophobicContact CD1-CD1 4.09Å; V35-L37 HydrophobicContact CG1-CG 4.49Å; L37-L70 HydrophobicContact CD2-CD2 3.96Å; L37-L72 HydrophobicContact CD2-CD1 3.7Å; L37-L169 HydrophobicContact CD2-CD2 4.24Å
38Y66.7Low62.2Low115 Ų115106.2 Ų106.245%0.45156%0.557SS.*EExtended strand (participates in β ladder)trans-105.3111.2173.4-67.6-92.2000108.6K20 C36K20-Y38 HydrophobicContact CD-CE1 4.29Å; K20-Y38 HydrophobicContact CG-CE1 4.15Å; C36-Y38 HydrophobicContact CB-CE2 4.02Å
39V69.8Low61.5Low63 Ų63110.7 Ų110.738%0.38258%0.575SS.*EExtended strand (participates in β ladder)trans-92105.3171.3-171.90000107.3V19 I21V19-V39 HydrophobicContact CB-CB 4.19Å; V19-V39 PolarHBondContact N-O 2.84Å; V19-V39 VanDerWaalsContact N-O 3.08Å; V19-V39 PolarHBondContact O-N 2.86Å; I21-V39 HydrophobicContact CD1-CG2 4.13Å
40L60.9Low60.2Low117 Ų117108.8 Ų108.861%0.61358%0.581SS**  trans-79.7123.5169.8-77.8158.7000108Q18 L42Q18-L40 HydrophobicContact CG-CD2 3.58Å; Q18-L40 HydrophobicContact CG-CG 4.38Å; L40-L42 PolarHBondContact O-N 3.4Å
41P55.4Low58.9Low53 Ų53113.7 Ų113.734%0.34460%0.595SS.*  trans-63.8132.8171.425.2-29000108K17 L43K17-P41 HydrophobicContact CB-CG 3.62Å; K17-P41 VanDerWaalsContact O-CD 3.26Å; K17-P41 WeakPolarHBondContact O-CD 3.46Å; K17-P41 WeakPolarHBondContact O-CG 3.43Å; P41-L43 VanDerWaalsContact C-N 3.31Å; P41-L43 PolarHBondContact O-N 3.08Å
42L49.3Very low58Low166 Ų166113.5 Ų113.587%0.86961%0.606SS**  trans-60.8100.3165.9-83153.3000106.8L40 E44L40-L42 PolarHBondContact O-N 3.4Å; L42-E44 PolarHBondContact O-N 3.39Å
43L51.9Low57.2Low156 Ų156116.7 Ų116.782%0.81762%0.623SS**  trans-63.197.3158.7-79.4162.8000105.1P41 K45P41-L43 VanDerWaalsContact C-N 3.31Å; P41-L43 PolarHBondContact O-N 3.08Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 2.98Å
44E48.5Very low56.2Low180 Ų180123.8 Ų123.884%0.84165%0.645SS**  trans-52.7107.8162.1-171.1164.6-154.400105.3L42 Q46L42-E44 PolarHBondContact O-N 3.39Å; E44-Q46 PolarHBondContact O-N 3.46Å
45K50.3Low55.1Low192 Ų192127.6 Ų127.684%0.83566%0.663SS**  trans-58.698.3168-95.4-176.5172.2-174.90104.8L43 E47L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 2.98Å; K45-E47 PolarHBondContact O-N 3.07Å
46Q44.1Very low53.9Low183 Ų183134.8 Ų134.886%0.85570%0.697SS**  trans-61.3101.4160.2-160.1172.321.700103.7E44E44-Q46 PolarHBondContact O-N 3.46Å
47E48.8Very low52.8Low165 Ų165137.3 Ų137.377%0.77171%0.713SS**  trans-53.9131.8170.1-71.6-137.9144.600106.4K45 E49K45-E47 PolarHBondContact O-N 3.07Å; E47-E49 PolarHBondContact O-N 3.07Å
48P49.3Very low51.8Low118 Ų118142.1 Ų142.177%0.76675%0.746SS**  trans-58.2121.5170.125.6-30.1000105.6G50P48-G50 PolarHBondContact O-N 3.28Å
49E47.1Very low51.1Low201 Ų201141.2 Ų141.294%0.93976%0.762SS**  trans-5895169-75.1-162.4157.900106.9E47 N51E47-E49 PolarHBondContact O-N 3.07Å; E49-N51 PolarHBondContact O-N 2.66Å
50G48.5Very low49.9Very low69 Ų69148.2 Ų148.271%0.71179%0.787SS**  trans-67.1115.2175.500000107.3P48 S52P48-G50 PolarHBondContact O-N 3.28Å; G50-S52 PolarHBondContact O-N 3.05Å
51N47.9Very low49.2Very low154 Ų154153.6 Ų153.682%0.82480%0.799SS**  trans-30.9133.4167.4-103.3-16.5000112.9E49 N53E49-N51 PolarHBondContact O-N 2.66Å; N51-N53 PolarHBondContact O-N 3.27Å
52S46.2Very low48.6Very low108 Ų108162.8 Ų162.876%0.75583%0.827SS**  trans-33.3115.7167.2540000113.6G50G50-S52 PolarHBondContact O-N 3.05Å
53N50.2Low48.3Very low171 Ų171162.1 Ų162.191%0.91482%0.823SS**  trans-143.9134.5143.4-108.3-21.4000110.7N51N51-N53 PolarHBondContact O-N 3.27Å
54R46.2Very low47.7Very low224 Ų224159.2 Ų159.285%0.84582%0.822SS**  trans-69.8159.4-169.3-71.9177.8168.7177.6-4112.7
55D50.3Low47.2Very low147 Ų147162.1 Ų162.179%0.78683%0.825SS**  trans77.279.3158.5-57.7-31.3000118.5
56M50.2Low46.8Very low177 Ų177162.4 Ų162.487%0.87283%0.826SS**  trans-164.6140140.6-101.2-75.7103.900110.2
57P51.7Low46.5Very low101 Ų101158.5 Ų158.566%0.65682%0.817SS**  trans-79.5147-177.732.2-31.3000111.6A59P57-A59 PolarHBondContact O-N 3.48Å
58P55.5Low46.2Very low125 Ų125155.5 Ų155.581%0.81281%0.814SS**  trans-81.4112.2-170.131.3-32000111.4K60P58-K60 PolarHBondContact O-N 3.28Å
59A50.3Low45.6Very low95 Ų95154.3 Ų154.379%0.78580%0.801SS**  trans-69.6121.5165.100000109.9P57 R61P57-A59 PolarHBondContact O-N 3.48Å; A59-R61 VanDerWaalsContact C-N 3.35Å; A59-R61 PolarHBondContact O-N 2.86Å
60K46.2Very low45.2Very low211 Ų211147.6 Ų147.692%0.91777%0.772SS**  trans-61.185.2177.2-67.4174.4179.2174.60111.5P58P58-K60 PolarHBondContact O-N 3.28Å
61R45.8Very low44.5Very low230 Ų230154.4 Ų154.487%0.86878%0.776SS**  trans-96.689.4168-129176.2-179.2171.6-0108.9A59 L63A59-R61 VanDerWaalsContact C-N 3.35Å; A59-R61 PolarHBondContact O-N 2.86Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.22Å
62R42.8Very low43.9Very low246 Ų246149.4 Ų149.493%0.92875%0.749SS**  trans-65.395.8165.4-70176.181.4-1745.4107.2A64R62-A64 PolarHBondContact O-N 3.45Å; R62-A64 VanDerWaalsContact O-N 3.12Å
63L41.7Very low43.3Very low151 Ų151153.8 Ų153.879%0.79175%0.754SS**  trans-65.7109163.1-10495.5000107.2R61 R65R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.22Å; L63-R65 PolarHBondContact O-N 3.04Å
64A39.2Very low42.6Very low96 Ų96149.4 Ų149.479%0.79373%0.73SS**  trans-60105.1166.300000108.1R62 K66R62-A64 PolarHBondContact O-N 3.45Å; R62-A64 VanDerWaalsContact O-N 3.12Å; A64-K66 PolarHBondContact O-N 3.44Å
65R39.8Very low41.9Very low241 Ų241143.9 Ų143.991%0.90972%0.724SS**  trans-66.1112.3170.3-74.1-178169.4-177.3-3107.5L63L63-R65 PolarHBondContact O-N 3.04Å
66K40.8Very low41Very low197 Ų197143.1 Ų143.186%0.85772%0.715SS**  trans-65.7134.2167.4-75.9-178.4176.3179.10108.2A64 S68A64-K66 PolarHBondContact O-N 3.44Å; K66-S68 PolarHBondContact O-N 3.28Å
67P38.2Very low40Very low102 Ų102141 Ų14166%0.66271%0.712SS**  trans-61.4136.5171.425.7-31.6000109.1N69P67-N69 PolarHBondContact O-N 3.46Å
68S43.2Very low39.3Very low101 Ų101141.2 Ų141.271%0.70672%0.716SS**  trans-65.6112.9174.645.10000109.3K66 L70K66-S68 PolarHBondContact O-N 3.28Å; S68-L70 PolarHBondContact O-N 2.96Å
69N36.6Very low38.4Very low93 Ų93139.5 Ų139.550%0.49771%0.712SS.*PPolyproline II helixtrans-69.2118.7171.9-68.3-17000108.6P67 W71P67-N69 PolarHBondContact O-N 3.46Å; N69-W71 HydrophobicContact CB-CZ2 4.42Å; N69-W71 PolarHBondContact O-NE1 3.35Å
70L38Very low37.7Very low60 Ų60142.5 Ų142.531%0.31472%0.715SS.*EExtended strand (participates in β ladder)trans-82.4117.5169.6-152.5112.3000107.3L37 S68 L169L37-L70 HydrophobicContact CD2-CD2 3.96Å; S68-L70 PolarHBondContact O-N 2.96Å; L70-L169 HydrophobicContact CB-CD2 4.43Å; L70-L169 HydrophobicContact CD2-CD2 3.55Å
71W34.9Very low37.1Very low213 Ų213137 Ų13781%0.80771%0.709SS**EExtended strand (participates in β ladder)trans-96.5116.3-178-63.482.8000109.6N69N69-W71 HydrophobicContact CB-CZ2 4.42Å; N69-W71 PolarHBondContact O-NE1 3.35Å
72L34.9Very low36.9Very low49 Ų49131.5 Ų131.526%0.25770%0.703SS.*PPolyproline II helixtrans-90.6120.5171.4-162.684.2000108.8V35 L37 I74V35-L72 HydrophobicContact CG1-CD1 3.79Å; V35-L72 HydrophobicContact CG1-CD2 4.47Å; L37-L72 HydrophobicContact CD2-CD1 3.7Å; L72-I74 HydrophobicContact CD2-CD1 3.97Å; L72-I74 HydrophobicContact CD2-CG1 3.86Å; L72-I74 HydrophobicContact CG-CG1 4.36Å
73K33.5Very low36.5Very low199 Ų199126.3 Ų126.387%0.86570%0.699SS**  trans-110.8109.8172.8-167.9172.6-175.3175.20109.2
74I34Very low36.1Very low80 Ų80124.5 Ų124.541%0.4170%0.699SS.*PPolyproline II helixtrans-91.7118.5177.6-55.1174.1000108.2L72L72-I74 HydrophobicContact CD2-CD1 3.97Å; L72-I74 HydrophobicContact CD2-CG1 3.86Å; L72-I74 HydrophobicContact CG-CG1 4.36Å
75P31.9Very low36Very low108 Ų108126.8 Ų126.870%0.70170%0.703SS**PPolyproline II helixtrans-76.4125.7174.223.3-20.9000110.7
76H32.1Very low35.6Very low131 Ų131121 Ų12161%0.60670%0.697SS**PPolyproline II helixtrans-71.8127.9172.2-57.4-78.2000110.2
77T29.4Very low35.1Very low132 Ų132116.8 Ų116.881%0.8169%0.692SS**  trans-100.893.716250.90000107.8
78S36.3Very low35.1Very low105 Ų105117.3 Ų117.373%0.73470%0.695SS**  trans-90.4114.3167.4163.80000107.8
79A36.1Very low34.5Very low89 Ų89122.3 Ų122.374%0.73671%0.705SS**  trans-87.3125.116500000108.1
80N36Very low34Very low158 Ų158124 Ų12485%0.84572%0.718SS**  trans95.287.9174.6-54.4-23.1000117.2
81A34.7Very low33.6Very low96 Ų96129 Ų12979%0.79375%0.745SS**  trans-171.2140.8131.100000110.6
82P40.2Very low33.2Very low115 Ų115124 Ų12475%0.74774%0.742SS**  trans-89156.3177.835.2-30.9000112.6
83T34.2Very low33.1Very low137 Ų137127.6 Ų127.684%0.8477%0.766SS**  trans60.489161.4480000118.6
84S35.2Very low33Very low112 Ų112123.3 Ų123.378%0.78376%0.759SS**  -171.3127.7123.554.20000109.8P86S84-P86 WeakPolarHBondContact O-CD 3.01Å
85T35.3Very low32.7Very low145 Ų145126.8 Ų126.889%0.8978%0.778SS**  trans-56.7137.3175.438.50000113.4
86P32.9Very low32.6Very low119 Ų119129.1 Ų129.177%0.77378%0.781SS**  trans-119.2129.2143.830-15.4000111S84S84-P86 WeakPolarHBondContact O-CD 3.01Å
87S28.8Very low32.4Very low109 Ų109131.7 Ų131.776%0.76279%0.794SS**PPolyproline II helixtrans-54.3132.9175.6-171.30000112.2
88P38.6Very low32.3Very low112 Ų112130 Ų13073%0.72779%0.786SS**PPolyproline II helixtrans-83123.9170.431.8-28000109.7V90P88-V90 PolarHBondContact O-N 2.88Å
89F31.2Very low32.1Very low206 Ų206132.6 Ų132.690%0.90479%0.791SS**PPolyproline II helixtrans-46.8130.9167-77.3-93.9000111.4L91F89-L91 PolarHBondContact O-N 2.92Å
90V25.9Very low31.6Very low129 Ų129132.8 Ų132.878%0.78279%0.793SS**  trans-66.8110.9170.8175.80000108.1P88P88-V90 PolarHBondContact O-N 2.88Å
91L30.4Very low31.3Very low166 Ų166130.8 Ų130.887%0.86979%0.791SS**  trans-91.1105.4160.2-79.7167.2000107.4F89 T93F89-L91 PolarHBondContact O-N 2.92Å; L91-T93 PolarHBondContact O-N 3.42Å
92S26.6Very low31.1Very low107 Ų107134.2 Ų134.275%0.74880%0.795SS**PPolyproline II helixtrans-58.6116.6169.5-44.40000109.3
93T32.6Very low30.5Very low124 Ų124137.3 Ų137.376%0.76180%0.8SS**PPolyproline II helixtrans-72.8127.3163.446.40000108.3L91L91-T93 PolarHBondContact O-N 3.42Å
94P31.7Very low30.3Very low109 Ų109137.8 Ų137.871%0.70880%0.797SS**PPolyproline II helixtrans-74.1140.1163.630.7-29.1000109M96P94-M96 PolarHBondContact O-N 3.48Å
95D26.3Very low30.2Very low154 Ų154144.4 Ų144.482%0.82481%0.805SS**PPolyproline II helixtrans-53123.8179.3-70.7-45.7000111.6
96M30.3Very low29.9Very low156 Ų156145.2 Ų145.277%0.76880%0.801SS**  trans-103.267.6173.1-74.8-71.7-61.500109P94P94-M96 PolarHBondContact O-N 3.48Å
97E28.2Very low29.8Very low185 Ų185146 Ų14686%0.86480%0.797SS**  trans-103.670161.2-76.9-168.6169.200109.3
98C27.8Very low30.1Very low96 Ų96145.5 Ų145.565%0.64980%0.8SS**  trans-171.7148156.427.10000108.7
99L31.4Very low29.9Very low160 Ų160143.3 Ų143.384%0.83879%0.785SS**  trans96.962.7-179.6-46.5-178.8000115.3
100A26Very low30.3Very low94 Ų94138.6 Ų138.678%0.77778%0.775SS**  trans-80.5148.1138.600000110.2
101S28.9Very low30.8Very low115 Ų115140.3 Ų140.380%0.80477%0.772SS**  trans75.787.5165.1-55.10000118.7
102L30.9Very low31.2Very low169 Ų169136.5 Ų136.589%0.88576%0.755SS**  trans-146.155154.9-110.4145.9000110.1
103E28.3Very low31.7Very low179 Ų179134.4 Ų134.484%0.83675%0.745SS**  trans-70.5143.6152.2-81.3179147.100108.4
104N28.7Very low31.9Very low148 Ų148133.5 Ų133.579%0.79174%0.735SS**  trans90.184.3-178.8-52.8-43.3000116.5
105R34.4Very low32.1Very low250 Ų250132.6 Ų132.694%0.94373%0.728SS**  -165114.7118.6-110.8174.8170.3175.8-2.9113.4
106M27.7Very low32.7Very low163 Ų163128.7 Ų128.780%0.80371%0.709SS**  trans-10.9138153.5-80.317666.900119.7
107L30.2Very low33.2Very low134 Ų134125.9 Ų125.970%0.70269%0.694SS**  trans84.588.2143-64.6161.6000119.4T109L107-T109 HydrophobicContact CD2-CG2 4.34Å
108A36.5Very low33.6Very low100 Ų100119.1 Ų119.183%0.82667%0.674SS**  trans-91.3115.413600000107.5
109T34.6Very low33.9Very low66 Ų66117.8 Ų117.841%0.40566%0.66SS.*  trans-78143.4178.858.20000110.5L107 K111 T112L107-T109 HydrophobicContact CD2-CG2 4.34Å; T109-K111 PolarHBondContact O-N 2.82Å; T109-T112 PolarHBondContact O-N 2.83Å; T109-T112 VanDerWaalsContact O-N 3.08Å; T109-T112 PolarHBondContact O-OG1 3.35Å; T109-T112 PolarHBondContact OG1-OG1 3.21Å
110P39.4Very low34.4Very low106 Ų106112.5 Ų112.569%0.68863%0.632SS**Hα-helixtrans-51.7-32.8-178.5-25.130.9000114.1T112 A113 D114P110-T112 PolarHBondContact O-N 3.34Å; P110-A113 PolarHBondContact O-N 3.5Å; P110-D114 PolarHBondContact O-N 2.68Å
111K35.8Very low35.3Very low166 Ų166115.8 Ų115.872%0.72262%0.624SS**Hα-helixtrans-62.1-24.6-178.5-69.2-176.1176.4179.70114.5T109 V115T109-K111 PolarHBondContact O-N 2.82Å; K111-V115 VanDerWaalsContact O-CG2 3.26Å; K111-V115 WeakPolarHBondContact O-CG2 3.33Å; K111-V115 PolarHBondContact O-N 3.36Å
112T39.1Very low35.7Very low85 Ų85116.2 Ų116.252%0.52162%0.617SS.*Hα-helixtrans-80-30.6-179.3-38.40000111.6T109 P110 V116T109-T112 PolarHBondContact O-N 2.83Å; T109-T112 VanDerWaalsContact O-N 3.08Å; T109-T112 PolarHBondContact O-OG1 3.35Å; T109-T112 PolarHBondContact OG1-OG1 3.21Å; P110-T112 PolarHBondContact O-N 3.34Å; T112-V116 VanDerWaalsContact O-CG2 3.22Å; T112-V116 WeakPolarHBondContact O-CG2 3.41Å; T112-V116 PolarHBondContact O-N 3.41Å
113A37.5Very low36.6Very low63 Ų63111 Ų11152%0.52159%0.588SS.*Hα-helixtrans-70.4-43.1175.900000111.2P110 V115 V116 E117P110-A113 PolarHBondContact O-N 3.5Å; A113-V115 VanDerWaalsContact C-N 3.34Å; A113-V115 PolarHBondContact O-N 3.2Å; A113-V116 PolarHBondContact O-N 3.33Å; A113-E117 WeakPolarHBondContact O-CB 3.38Å; A113-E117 PolarHBondContact O-N 3.19Å
114D35.7Very low37.5Very low106 Ų106103.5 Ų103.557%0.56756%0.557SS**Hα-helixtrans-64.7-36.5179.8-61.8-28.3000112.7P110 G118P110-D114 PolarHBondContact O-N 2.68Å; D114-G118 PolarHBondContact O-N 2.98Å
115V36.6Very low38.2Very low90 Ų90101.3 Ų101.355%0.54555%0.545SS..Hα-helixtrans-71.5-38.2177.6172.70000111.4K111 A113 L119K111-V115 VanDerWaalsContact O-CG2 3.26Å; K111-V115 WeakPolarHBondContact O-CG2 3.33Å; K111-V115 PolarHBondContact O-N 3.36Å; A113-V115 VanDerWaalsContact C-N 3.34Å; A113-V115 PolarHBondContact O-N 3.2Å; V115-L119 HydrophobicContact CG1-CD1 3.92Å; V115-L119 WeakPolarHBondContact O-CB 3.31Å; V115-L119 WeakPolarHBondContact O-CD1 3.4Å; V115-L119 PolarHBondContact O-N 2.98Å
116V39Very low38.8Very low72 Ų7292.6 Ų92.644%0.43652%0.517SS..Hα-helixtrans-69.5-41.4176.6171.40000110.5T112 A113 L119 I120T112-V116 VanDerWaalsContact O-CG2 3.22Å; T112-V116 WeakPolarHBondContact O-CG2 3.41Å; T112-V116 PolarHBondContact O-N 3.41Å; A113-V116 PolarHBondContact O-N 3.33Å; V116-L119 PolarHBondContact O-N 3.11Å; V116-I120 HydrophobicContact CG1-CD1 3.53Å; V116-I120 HydrophobicContact CG1-CG1 4.39Å; V116-I120 VanDerWaalsContact O-CB 3.27Å; V116-I120 WeakPolarHBondContact O-CB 3.34Å; V116-I120 WeakPolarHBondContact O-CD1 3.39Å; V116-I120 WeakPolarHBondContact O-CG1 3.33Å; V116-I120 PolarHBondContact O-N 3.49Å
117E40.4Very low39.6Very low97 Ų9788.1 Ų88.145%0.45349%0.493SS..Hα-helixtrans-65-41.2174.6-169.8174.817900111.9A113 I120 R121A113-E117 WeakPolarHBondContact O-CB 3.38Å; A113-E117 PolarHBondContact O-N 3.19Å; E117-I120 PolarHBondContact O-N 3.49Å; E117-R121 WeakPolarHBondContact O-CG 3.11Å; E117-R121 PolarHBondContact O-N 3.02Å; E117-R121 IonicContact OE1-CZ 2.69Å; E117-R121 IonicContact OE1-NE 2.67Å; E117-R121 PolarHBondContact OE1-NE 3.23Å; E117-R121 IonicContact OE1-NH2 3.33Å; E117-R121 PolarHBondContact OE1-NH2 2.92Å
118G36.3Very low40.3Very low42 Ų4284.4 Ų84.443%0.43347%0.474SS..Hα-helixtrans-63.9-42.1175.800000113.7D114 L122D114-G118 PolarHBondContact O-N 2.98Å; G118-L122 PolarHBondContact O-N 3.14Å
119L33.8Very low40.9Very low68 Ų6886.7 Ų86.736%0.35647%0.465SS..Hα-helixtrans-67.6-38.6175.6-105.397.4000112.4V115 V116 E123 N159V115-L119 HydrophobicContact CG1-CD1 3.92Å; V115-L119 WeakPolarHBondContact O-CB 3.31Å; V115-L119 WeakPolarHBondContact O-CD1 3.4Å; V115-L119 PolarHBondContact O-N 2.98Å; V116-L119 PolarHBondContact O-N 3.11Å; L119-E123 PolarHBondContact O-N 3.25Å; L119-N159 HydrophobicContact CD2-CB 3.99Å; L119-N159 WeakPolarHBondContact CD2-O 3.46Å
120I43Very low41.2Very low49 Ų4987.5 Ų87.525%0.25147%0.472SS..Hα-helixtrans-70.2-37.7-178.8-72.9170.8000111.2I8 V116 E117 A124I8-I120 HydrophobicContact CB-CG2 3.88Å; I8-I120 HydrophobicContact CD1-CG2 3.56Å; I8-I120 HydrophobicContact CG1-CG2 4.29Å; I8-I120 HydrophobicContact CG2-CG2 3.52Å; V116-I120 HydrophobicContact CG1-CD1 3.53Å; V116-I120 HydrophobicContact CG1-CG1 4.39Å; V116-I120 VanDerWaalsContact O-CB 3.27Å; V116-I120 WeakPolarHBondContact O-CB 3.34Å; V116-I120 WeakPolarHBondContact O-CD1 3.39Å; V116-I120 WeakPolarHBondContact O-CG1 3.33Å; V116-I120 PolarHBondContact O-N 3.49Å; E117-I120 PolarHBondContact O-N 3.49Å; I120-A124 WeakPolarHBondContact O-CB 3.44Å; I120-A124 PolarHBondContact O-N 3.04Å
121R43.6Very low41.2Very low164 Ų16483.6 Ų83.662%0.61945%0.448SS*.Hα-helixtrans-67.6-42.2175.8-74.7-178.4-176.3-1673.9112.7E117 E123 A124 D125E117-R121 WeakPolarHBondContact O-CG 3.11Å; E117-R121 PolarHBondContact O-N 3.02Å; E117-R121 IonicContact OE1-CZ 2.69Å; E117-R121 IonicContact OE1-NE 2.67Å; E117-R121 PolarHBondContact OE1-NE 3.23Å; E117-R121 IonicContact OE1-NH2 3.33Å; E117-R121 PolarHBondContact OE1-NH2 2.92Å; R121-E123 VanDerWaalsContact C-N 3.28Å; R121-E123 PolarHBondContact O-N 3.07Å; R121-A124 PolarHBondContact O-N 2.85Å; R121-D125 PolarHBondContact O-N 3.34Å
122L38.5Very low41.3Very low123 Ų12378.7 Ų78.764%0.64443%0.434SS*.Hα-helixtrans-63.5-36.8179.3-158.584.2000111.8G118G118-L122 PolarHBondContact O-N 3.14Å
123E49.7Very low41.3Very low61 Ų6181.4 Ų81.429%0.28545%0.445SS..Hα-helixtrans-83.9-25-178.3-14462.8-118.800113L119 R121 D125 N126 F127L119-E123 PolarHBondContact O-N 3.25Å; R121-E123 VanDerWaalsContact C-N 3.28Å; R121-E123 PolarHBondContact O-N 3.07Å; E123-D125 VanDerWaalsContact C-N 3.33Å; E123-D125 PolarHBondContact O-N 2.82Å; E123-N126 PolarHBondContact O-N 3.37Å; E123-N126 PolarHBondContact OE1-ND2 2.96Å; E123-N126 VanDerWaalsContact OE1-ND2 3.1Å; E123-F127 WeakPolarHBondContact O-CB 3.41Å; E123-F127 PolarHBondContact O-N 2.47Å
124A46.8Very low41.4Very low21 Ų2181.1 Ų81.117%0.17444%0.435CS..Hα-helixtrans-61.2-41.6171.800000111.8I8 I120 R121 N126 F127 L128I8-A124 HydrophobicContact CD1-CB 3.61Å; I120-A124 WeakPolarHBondContact O-CB 3.44Å; I120-A124 PolarHBondContact O-N 3.04Å; R121-A124 PolarHBondContact O-N 2.85Å; A124-N126 VanDerWaalsContact C-N 3.32Å; A124-N126 PolarHBondContact O-N 2.74Å; A124-F127 PolarHBondContact O-N 2.86Å; A124-L128 WeakPolarHBondContact O-CB 3.14Å; A124-L128 WeakPolarHBondContact O-CD1 3.43Å; A124-L128 PolarHBondContact O-N 3.23Å
125D43.5Very low41.5Very low102 Ų10282.2 Ų82.255%0.54544%0.435SS..Hα-helixtrans-66.4-33.7176.5-75.3-16.9000112.2R121 E123 K129R121-D125 PolarHBondContact O-N 3.34Å; E123-D125 VanDerWaalsContact C-N 3.33Å; E123-D125 PolarHBondContact O-N 2.82Å; D125-K129 WeakPolarHBondContact O-CG 3.34Å; D125-K129 PolarHBondContact O-N 2.95Å; D125-K129 VanDerWaalsContact O-N 3.11Å
126N46.2Very low41.4Very low67 Ų6780.9 Ų80.936%0.35844%0.439SS..Hα-helixtrans-73.2-39173.7-75.1-22.5000112.2E123 A124 L128 K129 C130E123-N126 PolarHBondContact O-N 3.37Å; E123-N126 PolarHBondContact OE1-ND2 2.96Å; E123-N126 VanDerWaalsContact OE1-ND2 3.1Å; A124-N126 VanDerWaalsContact C-N 3.32Å; A124-N126 PolarHBondContact O-N 2.74Å; N126-L128 VanDerWaalsContact C-N 3.33Å; N126-K129 PolarHBondContact O-N 3.32Å; N126-C130 PolarHBondContact O-N 3.49Å; N126-C130 PolarHBondContact O-SG 3.44Å
127F45Very low41Very low69 Ų6982.8 Ų82.830%0.30345%0.446SS..Hα-helixtrans-62.1-42174.4-175.2-96.4000111.2E123 A124 C130 S131 I156E123-F127 WeakPolarHBondContact O-CB 3.41Å; E123-F127 PolarHBondContact O-N 2.47Å; A124-F127 PolarHBondContact O-N 2.86Å; F127-C130 PolarHBondContact O-N 2.93Å; F127-S131 VanDerWaalsContact O-CB 3.31Å; F127-S131 WeakPolarHBondContact O-CB 3.49Å; F127-S131 PolarHBondContact O-N 3.45Å; F127-S131 PolarHBondContact O-OG 3.11Å; F127-I156 HydrophobicContact CD2-CD1 4.43Å; F127-I156 HydrophobicContact CD2-CG1 4.27Å; F127-I156 HydrophobicContact CE2-CD1 3.91Å; F127-I156 HydrophobicContact CE2-CG1 3.91Å
128L45.9Very low40.5Very low56 Ų5684.8 Ų84.829%0.29346%0.46SS..Hα-helixtrans-60.9-44.9173.6-85.4150.4000111.9V3 A124 N126 C130 S131 S132V3-L128 HydrophobicContact CB-CD2 3.77Å; V3-L128 HydrophobicContact CG1-CD2 4.14Å; V3-L128 HydrophobicContact CG2-CD2 4.19Å; A124-L128 WeakPolarHBondContact O-CB 3.14Å; A124-L128 WeakPolarHBondContact O-CD1 3.43Å; A124-L128 PolarHBondContact O-N 3.23Å; N126-L128 VanDerWaalsContact C-N 3.33Å; L128-C130 PolarHBondContact O-N 3.23Å; L128-S131 PolarHBondContact O-N 3.3Å; L128-S131 PolarHBondContact O-OG 3.29Å; L128-S132 PolarHBondContact O-N 3.29Å
129K47.3Very low40.2Very low148 Ų14887.8 Ų87.864%0.64347%0.472SS*.Hα-helixtrans-61.1-42.8174.4-76.8174.4-177.7172.50112.7D125 N126 S132D125-K129 WeakPolarHBondContact O-CG 3.34Å; D125-K129 PolarHBondContact O-N 2.95Å; D125-K129 VanDerWaalsContact O-N 3.11Å; N126-K129 PolarHBondContact O-N 3.32Å; K129-S132 PolarHBondContact O-OG 2.7Å
130C41Very low39.9Very low83 Ų8392.2 Ų92.256%0.56150%0.495SS*.Hα-helixtrans-71.9-28.2177.9-71.40000113.4N126 F127 L128 S132 N133N126-C130 PolarHBondContact O-N 3.49Å; N126-C130 PolarHBondContact O-SG 3.44Å; F127-C130 PolarHBondContact O-N 2.93Å; L128-C130 PolarHBondContact O-N 3.23Å; C130-S132 VanDerWaalsContact C-N 3.31Å; C130-S132 PolarHBondContact O-N 3.48Å; C130-N133 PolarHBondContact O-N 2.93Å
131S40.5Very low39.1Very low24 Ų2495.2 Ų95.217%0.16852%0.52CS..Hα-helixtrans-69.6-26.2-179.7730000113.6F127 L128 N133 L134 F135F127-S131 VanDerWaalsContact O-CB 3.31Å; F127-S131 WeakPolarHBondContact O-CB 3.49Å; F127-S131 PolarHBondContact O-N 3.45Å; F127-S131 PolarHBondContact O-OG 3.11Å; L128-S131 PolarHBondContact O-N 3.3Å; L128-S131 PolarHBondContact O-OG 3.29Å; S131-N133 VanDerWaalsContact C-N 3.26Å; S131-N133 PolarHBondContact O-N 2.74Å; S131-L134 WeakPolarHBondContact O-CB 3.46Å; S131-L134 PolarHBondContact O-N 3.49Å; S131-F135 WeakPolarHBondContact O-CD2 3.43Å; S131-F135 PolarHBondContact O-N 2.99Å
132S37.4Very low38.4Very low63 Ų6397.9 Ų97.944%0.44153%0.53SS..Hα-helixtrans-58-37.6175660000112.7L128 K129 C130 L134L128-S132 PolarHBondContact O-N 3.29Å; K129-S132 PolarHBondContact O-OG 2.7Å; C130-S132 VanDerWaalsContact C-N 3.31Å; C130-S132 PolarHBondContact O-N 3.48Å; S132-L134 VanDerWaalsContact C-N 3.33Å; S132-L134 PolarHBondContact O-N 3.41Å
133N39.7Very low38Very low141 Ų14197.8 Ų97.875%0.75454%0.537SS*.Hα-helixtrans-75.6-19.5174.8-71.9-32.1000113.5C130 S131C130-N133 PolarHBondContact O-N 2.93Å; S131-N133 VanDerWaalsContact C-N 3.26Å; S131-N133 PolarHBondContact O-N 2.74Å
134L39.6Very low37.1Very low57 Ų57101.8 Ų101.830%0.29856%0.559SS.*Hα-helixtrans-87.6-24.5-171.8-134132.3000112.7S131 S132 I154S131-L134 WeakPolarHBondContact O-CB 3.46Å; S131-L134 PolarHBondContact O-N 3.49Å; S132-L134 VanDerWaalsContact C-N 3.33Å; S132-L134 PolarHBondContact O-N 3.41Å; L134-I154 HydrophobicContact CD1-CD1 4.34Å; L134-I154 HydrophobicContact CD1-CG1 4.16Å; L134-I154 HydrophobicContact CD1-CG2 4.12Å; L134-I154 HydrophobicContact CD2-CD1 3.53Å; L134-I154 HydrophobicContact CD2-CG1 3.79Å
135F38.7Very low36.5Very low130 Ų130105.8 Ų105.857%0.5759%0.586SS**THydrogen-bonded Turntrans-103.75.1177.1-65.3-72000114.4S131 L137S131-F135 WeakPolarHBondContact O-CD2 3.43Å; S131-F135 PolarHBondContact O-N 2.99Å; F135-L137 PolarHBondContact O-N 2.69Å
136G32.6Very low36.1Very low62 Ų62108.1 Ų108.164%0.63960%0.604SS**THydrogen-bonded Turntrans61.541.5171.100000113.7D138G136-D138 VanDerWaalsContact C-N 3.33Å; G136-D138 PolarHBondContact O-N 3.4Å
137L31.8Very low36Very low111 Ų111108.6 Ų108.658%0.58161%0.613SS**  trans-95.167.7173.3-63.3177.3000109.6F135F135-L137 PolarHBondContact O-N 2.69Å
138D28.9Very low36.2Very low139 Ų139111.2 Ų111.274%0.74364%0.639SS**  trans-134.5126.5153.9-123.8-10.2000107.6G136 I140G136-D138 VanDerWaalsContact C-N 3.33Å; G136-D138 PolarHBondContact O-N 3.4Å; D138-I140 PolarHBondContact O-N 3.1Å
139P30.7Very low36.2Very low106 Ų106114.5 Ų114.569%0.68866%0.657SS**SBendtrans-72.9130.5174.431.3-28000107.1
140I27Very low36.6Very low161 Ų161109.9 Ų109.983%0.82664%0.644SS**SBendtrans87.178.3173.9-43.2151.3000113.5D138D138-I140 PolarHBondContact O-N 3.1Å
141S26.8Very low37.2Very low112 Ų112111.7 Ų111.778%0.78364%0.642SS**  175.6114.7119.8-74.60000110.5
142R28.8Very low38.3Very low219 Ų219116.3 Ų116.383%0.82666%0.659SS**  trans-64.8155.7169.9-77.3-179.2179.3-167.2-1110.5
143P30Very low39.3Very low122 Ų122120.3 Ų120.379%0.79267%0.665SS**  -127.2141113.232.6-23.4000112.5S145P143-S145 PolarHBondContact O-N 2.96Å
144L30.3Very low40.3Very low144 Ų144115.1 Ų115.175%0.75464%0.637SS**  trans-58.9116.6164-87.869.7000108.5
145S36.1Very low41.5Very low106 Ų106118.3 Ų118.374%0.74165%0.648SS**  trans-133.4114.8148.877.20000109.6P143 S147P143-S145 PolarHBondContact O-N 2.96Å; S145-S147 VanDerWaalsContact C-N 3.35Å; S145-S147 PolarHBondContact O-N 3.46Å
146T35.1Very low43Very low150 Ų150113.5 Ų113.592%0.9263%0.628SS**  trans-76.787.1166.3480000107.3
147S43.5Very low44.4Very low78 Ų78114.4 Ų114.455%0.54562%0.616SS.*  trans-140.6122.5168.1-175.10000109S145 D149S145-S147 VanDerWaalsContact C-N 3.35Å; S145-S147 PolarHBondContact O-N 3.46Å; S147-D149 PolarHBondContact O-N 3.17Å
148S48.3Very low45.7Very low123 Ų123112 Ų11286%0.8660%0.603SS**  trans-76.933.2-174.661.10000113.8S150S148-S150 PolarHBondContact O-N 3.44Å
149D45.7Very low46.8Very low125 Ų125108.3 Ų108.367%0.66858%0.584SS**  trans-91.293.4177.6-83.6-37.6000109.9S147 K151S147-D149 PolarHBondContact O-N 3.17Å; D149-K151 PolarHBondContact O-N 3.2Å; D149-K151 VanDerWaalsContact O-N 3.12Å
150S56.3Low48Very low52 Ų52107.5 Ų107.536%0.36458%0.577SS.*  trans-67.60.5172.455.80000113.7S148 E172 V173S148-S150 PolarHBondContact O-N 3.44Å; S150-E172 WeakPolarHBondContact O-CA 3.42Å; S150-V173 PolarHBondContact O-N 3.32Å
151K54.3Low49.4Very low121 Ų121105 Ų10553%0.52658%0.58SS.*EExtended strand (participates in β ladder)trans-100.6107.2-176.2-64.8-178.5-178.9179.60110.1D149 E172D149-K151 PolarHBondContact O-N 3.2Å; D149-K151 VanDerWaalsContact O-N 3.12Å; K151-E172 WeakPolarHBondContact CE-OE2 3.31Å; K151-E172 HydrophobicContact CG-CB 4.31Å; K151-E172 HydrophobicContact CG-CG 4.1Å
152K62.7Low51.1Low121 Ų121103 Ų10353%0.52658%0.576SS.*EExtended strand (participates in β ladder)trans-101.2123.4169.2-68.6-172177.8-176.30108.8V171K152-V171 PolarHBondContact N-O 2.87Å; K152-V171 PolarHBondContact O-N 2.86Å
153R57.6Low51.9Low146 Ų14699.4 Ų99.455%0.55157%0.569SS**EExtended strand (participates in β ladder)trans-91.8121.8174-161.8-177.4-79.9172.4-2.8109F155 L169 E170R153-F155 HydrophobicContact CG-CE2 4.49Å; R153-F155 HydrophobicContact CG-CZ 4.36Å; R153-L169 CarbonylContact C-O 3.59Å; R153-L169 VanDerWaalsContact CA-O 3.28Å; R153-L169 WeakPolarHBondContact CA-O 3.33Å; R153-L169 WeakPolarHBondContact CG-O 3.36Å; R153-E170 HydrophobicContact CB-CG 4.38Å; R153-E170 HydrophobicContact CG-CG 3.88Å; R153-E170 IonicContact CZ-OE1 3.01Å; R153-E170 IonicContact NE-OE1 3.83Å; R153-E170 PolarHBondContact NE-OE1 2.97Å; R153-E170 IonicContact NH2-OE1 3.99Å; R153-E170 PolarHBondContact NH2-OE1 2.92Å
154I61.1Low53.5Low32 Ų32100.6 Ų100.616%0.16456%0.562CS.*EExtended strand (participates in β ladder)trans-103.2145.7174.8-51.6178.2000107.4L134 L169 V171L134-I154 HydrophobicContact CD1-CD1 4.34Å; L134-I154 HydrophobicContact CD1-CG1 4.16Å; L134-I154 HydrophobicContact CD1-CG2 4.12Å; L134-I154 HydrophobicContact CD2-CD1 3.53Å; L134-I154 HydrophobicContact CD2-CG1 3.79Å; I154-L169 PolarHBondContact N-O 3.39Å; I154-L169 PolarHBondContact O-N 3.41Å; I154-L169 VanDerWaalsContact O-O 3.12Å; I154-V171 HydrophobicContact CD1-CB 4.48Å; I154-V171 HydrophobicContact CD1-CG2 3.74Å; I154-V171 HydrophobicContact CG1-CG2 4.2Å
155F65.7Low54.6Low124 Ų12496.6 Ų96.654%0.54454%0.543SS..EExtended strand (participates in β ladder)trans-114126.6172.1-62.6-91.6000108.2R153 V166 P168R153-F155 HydrophobicContact CG-CE2 4.49Å; R153-F155 HydrophobicContact CG-CZ 4.36Å; F155-V166 HydrophobicContact CB-CG1 3.77Å; F155-V166 HydrophobicContact CD1-CG1 3.83Å; F155-V166 HydrophobicContact CG-CG1 4.22Å; F155-P168 HydrophobicContact CD1-CB 3.78Å; F155-P168 HydrophobicContact CE1-CB 3.68Å
156I70.5Confident56Low30 Ų3095.2 Ų95.215%0.15453%0.53CS..EExtended strand (participates in β ladder)trans-102.7117.8171.6-61.2-178.3000107.5F127 L158 V166 V167 L169F127-I156 HydrophobicContact CD2-CD1 4.43Å; F127-I156 HydrophobicContact CD2-CG1 4.27Å; F127-I156 HydrophobicContact CE2-CD1 3.91Å; F127-I156 HydrophobicContact CE2-CG1 3.91Å; I156-L158 HydrophobicContact CG2-CD2 3.67Å; I156-L158 HydrophobicContact CG2-CG 4.01Å; I156-V166 CarbonylContact O-C 3.46Å; I156-V166 WeakPolarHBondContact O-CA 3.35Å; I156-V167 PolarHBondContact N-O 3.39Å; I156-V167 PolarHBondContact O-N 2.98Å; I156-L169 HydrophobicContact CD1-CD1 3.22Å; I156-L169 HydrophobicContact CG1-CD1 3.72Å
157E61.3Low57.3Low81 Ų8189.9 Ų89.938%0.37950%0.497SS..EExtended strand (participates in β ladder)trans-86.1119170.9-168.7175.1163.100108.8K164 V166E157-K164 HydrophobicContact CG-CB 4.49Å; E157-K164 WeakPolarHBondContact OE1-CD 3.37Å; E157-K164 WeakPolarHBondContact OE1-CE 3.26Å; E157-K164 VanDerWaalsContact OE1-CG 3.23Å; E157-K164 WeakPolarHBondContact OE1-CG 3.29Å; E157-K164 IonicContact OE1-NZ 2.62Å; E157-K164 PolarHBondContact OE1-NZ 3.39Å; E157-V166 HydrophobicContact CB-CG2 4.4Å; E157-V166 HydrophobicContact CG-CG2 4.11Å
158L59.4Low58.1Low59 Ų5988.4 Ų88.431%0.30949%0.486SS..EExtended strand (participates in β ladder)trans-110.6127.6175.7-60.6176.2000108.3I156 V160 V165 V167I156-L158 HydrophobicContact CG2-CD2 3.67Å; I156-L158 HydrophobicContact CG2-CG 4.01Å; L158-V160 HydrophobicContact CB-CG2 4.23Å; L158-V165 PolarHBondContact N-O 2.93Å; L158-V165 PolarHBondContact O-N 3.5Å; L158-V167 HydrophobicContact CD1-CG2 4.03Å
159N52Low58.6Low63 Ų6383.2 Ų83.234%0.33745%0.448SS..EExtended strand (participates in β ladder)trans-88.7114.5167.6-166.5-14.5000108.5L119 G162 Q163L119-N159 HydrophobicContact CD2-CB 3.99Å; L119-N159 WeakPolarHBondContact CD2-O 3.46Å; N159-G162 WeakPolarHBondContact OD1-CA 3.38Å; N159-G162 PolarHBondContact OD1-N 2.87Å; N159-G162 VanDerWaalsContact OD1-N 3.17Å; N159-Q163 PolarHBondContact OD1-N 2.89Å
160V56.3Low58.9Low89 Ų8980.6 Ų80.654%0.53943%0.432SS..EExtended strand (participates in β ladder)trans-119.3113.3178.6-1750000108L158 G162 Q163L158-V160 HydrophobicContact CB-CG2 4.23Å; V160-G162 PolarHBondContact O-N 2.76Å; V160-Q163 PolarHBondContact N-O 3.12Å; V160-Q163 PolarHBondContact O-N 2.79Å
161A56.1Low58.7Low109 Ų10979.6 Ų79.690%0.90142%0.424SS*.THydrogen-bonded Turntrans53.137-178.400000114.3Q163A161-Q163 VanDerWaalsContact C-N 3.3Å
162G61.5Low58.4Low68 Ų6878.5 Ų78.570%0.70142%0.42SS*.THydrogen-bonded Turntrans85.2-1.5-179.200000114.3N159 V160N159-G162 WeakPolarHBondContact OD1-CA 3.38Å; N159-G162 PolarHBondContact OD1-N 2.87Å; N159-G162 VanDerWaalsContact OD1-N 3.17Å; V160-G162 PolarHBondContact O-N 2.76Å
163Q45.4Very low57.6Low145 Ų14576.1 Ų76.168%0.67842%0.416SS*.EExtended strand (participates in β ladder)trans-103.1124.7175.3-164.5166.543.600110.6N159 V160 A161 V165N159-Q163 PolarHBondContact OD1-N 2.89Å; V160-Q163 PolarHBondContact N-O 3.12Å; V160-Q163 PolarHBondContact O-N 2.79Å; A161-Q163 VanDerWaalsContact C-N 3.3Å; Q163-V165 PolarHBondContact O-N 3.15Å
164K64.4Low56.9Low146 Ų14674 Ų7464%0.63542%0.415SS*.EExtended strand (participates in β ladder)trans-73.8120.5173.9-72.5169.1163.5-120.20109.9E157E157-K164 HydrophobicContact CG-CB 4.49Å; E157-K164 WeakPolarHBondContact OE1-CD 3.37Å; E157-K164 WeakPolarHBondContact OE1-CE 3.26Å; E157-K164 VanDerWaalsContact OE1-CG 3.23Å; E157-K164 WeakPolarHBondContact OE1-CG 3.29Å; E157-K164 IonicContact OE1-NZ 2.62Å; E157-K164 PolarHBondContact OE1-NZ 3.39Å
165V53.1Low56.1Low60 Ų6078.9 Ų78.936%0.36444%0.442SS..EExtended strand (participates in β ladder)trans-117.4113.7176.9-179.80000107.9L158 Q163 V167L158-V165 PolarHBondContact N-O 2.93Å; L158-V165 PolarHBondContact O-N 3.5Å; Q163-V165 PolarHBondContact O-N 3.15Å; V165-V167 HydrophobicContact CG1-CG2 4.22Å
166V65.1Low54.8Low78 Ų7878.4 Ų78.447%0.47345%0.453SS..EExtended strand (participates in β ladder)trans-93117.5176.3-176.80000109.1F155 I156 E157 P168F155-V166 HydrophobicContact CB-CG1 3.77Å; F155-V166 HydrophobicContact CD1-CG1 3.83Å; F155-V166 HydrophobicContact CG-CG1 4.22Å; I156-V166 CarbonylContact O-C 3.46Å; I156-V166 WeakPolarHBondContact O-CA 3.35Å; E157-V166 HydrophobicContact CB-CG2 4.4Å; E157-V166 HydrophobicContact CG-CG2 4.11Å; V166-P168 WeakPolarHBondContact O-CD 3.45Å
167V63.5Low53.4Low38 Ų3881.4 Ų81.423%0.2348%0.477CS..EExtended strand (participates in β ladder)trans-101.6110.4177.6-174.50000109.2I156 L158 V165I156-V167 PolarHBondContact N-O 3.39Å; I156-V167 PolarHBondContact O-N 2.98Å; L158-V167 HydrophobicContact CD1-CG2 4.03Å; V165-V167 HydrophobicContact CG1-CG2 4.22Å
168P59.2Low52.4Low47 Ų4782.6 Ų82.631%0.30549%0.494SS..EExtended strand (participates in β ladder)trans-72.1129.3170.828.5-31.4000110.3F155 V166F155-P168 HydrophobicContact CD1-CB 3.78Å; F155-P168 HydrophobicContact CE1-CB 3.68Å; V166-P168 WeakPolarHBondContact O-CD 3.45Å
169L59.3Low51.3Low13 Ų1387.6 Ų87.67%0.06852%0.522CS..EExtended strand (participates in β ladder)trans-116.7124.1172.7-82.9155.4000108.7L37 L70 R153 I154 I156L37-L169 HydrophobicContact CD2-CD2 4.24Å; L70-L169 HydrophobicContact CB-CD2 4.43Å; L70-L169 HydrophobicContact CD2-CD2 3.55Å; R153-L169 CarbonylContact C-O 3.59Å; R153-L169 VanDerWaalsContact CA-O 3.28Å; R153-L169 WeakPolarHBondContact CA-O 3.33Å; R153-L169 WeakPolarHBondContact CG-O 3.36Å; I154-L169 PolarHBondContact N-O 3.39Å; I154-L169 PolarHBondContact O-N 3.41Å; I154-L169 VanDerWaalsContact O-O 3.12Å; I156-L169 HydrophobicContact CD1-CD1 3.22Å; I156-L169 HydrophobicContact CG1-CD1 3.72Å
170E51.8Low50.7Low70 Ų7092.7 Ų92.733%0.32755%0.547SS..EExtended strand (participates in β ladder)trans-90.5119.6168-70.1-176.8173.600108.9R153R153-E170 HydrophobicContact CB-CG 4.38Å; R153-E170 HydrophobicContact CG-CG 3.88Å; R153-E170 IonicContact CZ-OE1 3.01Å; R153-E170 IonicContact NE-OE1 3.83Å; R153-E170 PolarHBondContact NE-OE1 2.97Å; R153-E170 IonicContact NH2-OE1 3.99Å; R153-E170 PolarHBondContact NH2-OE1 2.92Å
171V53.2Low49.9Very low31 Ų3195.9 Ų95.919%0.18856%0.561CS.*EExtended strand (participates in β ladder)trans-109.4111.7175-174.50000107.5K152 I154 V173K152-V171 PolarHBondContact N-O 2.87Å; K152-V171 PolarHBondContact O-N 2.86Å; I154-V171 HydrophobicContact CD1-CB 4.48Å; I154-V171 HydrophobicContact CD1-CG2 3.74Å; I154-V171 HydrophobicContact CG1-CG2 4.2Å; V171-V173 HydrophobicContact CG1-CG2 4.24Å
172E47.5Very low49Very low98 Ų9894.6 Ų94.646%0.45855%0.551SS.*EExtended strand (participates in β ladder)trans-90.8111.3171.4-171.2165.3-173.400108.4S150 K151 L174S150-E172 WeakPolarHBondContact O-CA 3.42Å; K151-E172 WeakPolarHBondContact CE-OE2 3.31Å; K151-E172 HydrophobicContact CG-CB 4.31Å; K151-E172 HydrophobicContact CG-CG 4.1Å; E172-L174 HydrophobicContact CG-CD2 4.44Å; E172-L174 PolarHBondContact O-N 3.31Å
173V46.2Very low48Very low72 Ų7297.5 Ų97.544%0.43656%0.557SS.*  trans-89.799.1177-1770000107.4S150 V171 N175S150-V173 PolarHBondContact O-N 3.32Å; V171-V173 HydrophobicContact CG1-CG2 4.24Å; V173-N175 PolarHBondContact O-N 2.85Å; V173-N175 VanDerWaalsContact O-N 3.15Å
174L42.6Very low48Very low102 Ų10297 Ų9753%0.53456%0.564SS.*  trans-76.298.7173.3-68.4169000108.8E172 S176E172-L174 HydrophobicContact CG-CD2 4.44Å; E172-L174 PolarHBondContact O-N 3.31Å; L174-S176 PolarHBondContact O-N 3.47Å
175N44.5Very low46.6Very low134 Ų13498.5 Ų98.572%0.71757%0.573SS**  trans-61.7120.1172.8-76.6-18.9000109.6V173 S177V173-N175 PolarHBondContact O-N 2.85Å; V173-N175 VanDerWaalsContact O-N 3.15Å; N175-S177 VanDerWaalsContact C-N 3.32Å; N175-S177 PolarHBondContact O-N 3.26Å
176S38.4Very low46Very low113 Ų113103.9 Ų103.979%0.7960%0.599SS**  trans-89.163.3176.4-56.50000110.4L174L174-S176 PolarHBondContact O-N 3.47Å
177S40.2Very low44.4Very low93 Ų93105 Ų10565%0.6561%0.61SS**  trans-158.7140.1175.362.80000112.8N175N175-S177 VanDerWaalsContact C-N 3.32Å; N175-S177 PolarHBondContact O-N 3.26Å
178S40.1Very low42.9Very low106 Ų106108.1 Ų108.174%0.74163%0.633SS**  trans82.175.5170.279.50000118
179D36Very low42.1Very low165 Ų165114 Ų11488%0.88266%0.66SS**  trans-161.373131.6-92.9-22.3000108.8
180I40.3Very low41Very low169 Ų169120 Ų12087%0.86769%0.693SS**  trans-118.4101.6163.9-62.3174.3000105.8
181N39.3Very low40.3Very low156 Ų156122 Ų12283%0.83471%0.714SS**PPolyproline II helixtrans-62.7137.4166.4-82.5-27.6000109.5
182A38.3Very low39.3Very low83 Ų83123.9 Ų123.969%0.68674%0.741SS**PPolyproline II helixtrans-53.4153-179.700000113.4V184A182-V184 PolarHBondContact O-N 3.49Å
183P39.8Very low39.2Very low129 Ų129124.9 Ų124.984%0.83876%0.755SS**PPolyproline II helixtrans-76119.2-179.631.6-30.5000109.7
184V44.9Very low38.8Very low135 Ų135130.3 Ų130.382%0.81878%0.781SS**PPolyproline II helixtrans-83.1124.8166.5169.40000108.3A182 L186A182-V184 PolarHBondContact O-N 3.49Å; V184-L186 PolarHBondContact O-N 3.46Å
185E34.4Very low38.5Very low176 Ų176128.7 Ų128.782%0.82279%0.789SS**PPolyproline II helixtrans-49.3127171.7-58.9-176.6145.600111.9
186L41.1Very low37.8Very low173 Ų173128.7 Ų128.791%0.90679%0.794SS**  trans-133.897.1152.8-74.6177.6000108.5V184V184-L186 PolarHBondContact O-N 3.46Å
187S31.9Very low37.7Very low101 Ų101131 Ų13171%0.70680%0.797SS**  trans-67150.5159.7450000111.4
188S32.8Very low37.3Very low104 Ų104132 Ų13273%0.72780%0.804SS**  trans90.3141.5154.7-11.80000118.2
189I42Very low37.2Very low170 Ų170132 Ų13287%0.87280%0.804SS**  trans96.2127.4171.6-60.1159.8000113.2
190D36.3Very low37Very low141 Ų141133.5 Ų133.575%0.75481%0.806SS**  cis-167.2156.2-17.7-177.316.9000104.7
191S37.5Very low36.8Very low110 Ų110130.6 Ų130.677%0.76980%0.801SS**  trans-63.9137.2-176.8-29.10000112.1
192G31.5Very low36.4Very low72 Ų72130.9 Ų130.974%0.74280%0.803SS**  trans-174.9104.8161.700000113.5
193P44.7Very low36.5Very low118 Ų118134.7 Ų134.777%0.76681%0.81SS**  trans-89.8143.7162.634.8-26.8000109.2
194L38.9Very low36.3Very low186 Ų186133.8 Ų133.897%0.97481%0.806SS**  trans157.8131.2151.2-85.9158.8000109.2
195G34.7Very low35.7Very low68 Ų68131.6 Ų131.670%0.70180%0.802SS**  trans151.642.5170.100000116.2N197G195-N197 PolarHBondContact O-N 3.12Å
196T31Very low35.6Very low134 Ų134129.6 Ų129.682%0.82280%0.802SS**  trans-70.9108.9160.4460000109.1
197N35.8Very low35.2Very low161 Ų161126.7 Ų126.786%0.86179%0.791SS**  trans-119.2102.4165.7-72.6-11000109.6G195G195-N197 PolarHBondContact O-N 3.12Å
198S32.5Very low35.3Very low114 Ų114129.2 Ų129.280%0.79780%0.796SS**  trans-90.7131.8160.447.20000109.8
199S38.5Very low35.7Very low107 Ų107128.8 Ų128.875%0.74880%0.799SS**  trans179.7105.1155.541.50000107.2
200E30.6Very low35.7Very low196 Ų196126.4 Ų126.492%0.91680%0.795SS**  55.5109.887.9-76.1-170.5145.500113.9
201S36.4Very low35.4Very low108 Ų108125 Ų12576%0.75580%0.795SS**  trans-160.799.4142.161.90000109.9
202D30.9Very low35.4Very low163 Ų163127.8 Ų127.887%0.87280%0.801SS**  trans-53.2139.9151.5-81.5-48.3000110.4
203I39.9Very low35.7Very low163 Ų163129.8 Ų129.884%0.83680%0.804SS**  trans-130.596.5160.1-29.6173.7000107.8
204S36.1Very low35.4Very low110 Ų110129.6 Ų129.677%0.76981%0.812SS**  trans-56.4150.6164.9-73.30000112.2
205A32.3Very low35.4Very low89 Ų89124.3 Ų124.374%0.73680%0.803SS**  trans-44149165.900000113.6
206T32.1Very low35.8Very low133 Ų133128.4 Ų128.482%0.81681%0.808SS**  -175.2152.1125.8-55.80000107.8
207V33.3Very low36.3Very low112 Ų112129.2 Ų129.268%0.67981%0.808SS**  trans113.390.7147.8-169.10000117.4
208L34.1Very low36.4Very low155 Ų155125.2 Ų125.281%0.81280%0.804SS**  trans80106.8130.7-56.9172.8000121.2
209A40.3Very low36.8Very low94 Ų94126.4 Ų126.478%0.77780%0.802SS**  trans-72.2153.8142.500000110.6
210P42.1Very low37Very low121 Ų121127.4 Ų127.479%0.78681%0.809SS**  trans-124.8117.8150.824.3-6.1000112.3
211S31.3Very low37.9Very low110 Ų110122.7 Ų122.777%0.76980%0.797SS**  21.6126.9126.8-174.20000119.4
212L36.3Very low38.7Very low170 Ų170125.8 Ų125.889%0.8980%0.8SS**  trans-55.9129.2160.5-65.5153.7000112.2
213S37.7Very low39.9Very low114 Ų114126.3 Ų126.380%0.79780%0.797SS**  trans-159.5139.6143.5-37.80000110.3
214A38.7Very low40.7Very low114 Ų114125.2 Ų125.294%0.94279%0.793SS**  trans-67.5147.8-178.600000113.5
215G38.3Very low41.9Very low75 Ų75121.9 Ų121.977%0.77378%0.776SS**  trans-17193.3173.800000110.6N217G215-N217 PolarHBondContact O-N 3.34Å
216D43.1Very low43.8Very low153 Ų153123.5 Ų123.582%0.81877%0.772SS**  trans-55.8123.2166.5-165.212.8000109.8
217N42.2Very low45.9Very low152 Ų152120 Ų12081%0.81376%0.757SS**  trans177.7128.2146.7-91.1-31.1000110.1G215 N219G215-N217 PolarHBondContact O-N 3.34Å; N217-N219 PolarHBondContact O-N 2.9Å
218G36.9Very low48Very low77 Ų77117.5 Ų117.579%0.79475%0.745SS**  trans-54.9129.6-174.400000113.7
219N41.1Very low50.5Low139 Ų139113 Ų11374%0.74372%0.724SS**  trans-151.991.6150.4-138.68.3000111N217 S221N217-N219 PolarHBondContact O-N 2.9Å; N219-S221 VanDerWaalsContact C-N 3.26Å; N219-S221 PolarHBondContact O-N 3.46Å
220S42.9Very low52.8Low127 Ų127115.8 Ų115.889%0.88872%0.718SS**THydrogen-bonded Turntrans-68.778.4165.653.70000109.8
221S50.2Low55Low97 Ų97117.7 Ų117.768%0.67871%0.71SS**THydrogen-bonded Turntrans-1602.4171.5-146.60000117.8N219N219-S221 VanDerWaalsContact C-N 3.26Å; N219-S221 PolarHBondContact O-N 3.46Å
222Q52.6Low57.8Low174 Ų174117.3 Ų117.381%0.81370%0.698SS**  trans-116.610.4-176.2-95174.5-30.900116.5N224Q222-N224 VanDerWaalsContact C-N 3.26Å; Q222-N224 PolarHBondContact O-N 3.1Å
223Q55.9Low60.5Low173 Ų173117.3 Ų117.381%0.80869%0.686SS**Hα-helixtrans-71.8-10.3179.7-77.9-169.7-16.300115.4
224N57.2Low63.2Low140 Ų140115.4 Ų115.475%0.74967%0.67SS**Hα-helixtrans-75.3-26.6-177.3-72.5-25.5000113.6Q222 S228Q222-N224 VanDerWaalsContact C-N 3.26Å; Q222-N224 PolarHBondContact O-N 3.1Å; N224-S228 PolarHBondContact O-N 3.37Å
225G61.3Low65.9Low41 Ų41117.1 Ų117.142%0.42365%0.652SS.*Hα-helixtrans-70-44.3179.800000113.2S228 T229G225-S228 PolarHBondContact O-N 3.28Å; G225-S228 PolarHBondContact O-OG 3.28Å; G225-T229 PolarHBondContact O-N 2.96Å; G225-T229 PolarHBondContact O-OG1 3.24Å; G225-T229 VanDerWaalsContact O-OG1 3.14Å
226D71.3Confident68.7Low122 Ų122118 Ų11865%0.65264%0.636SS**Hα-helixtrans-69.3-35.7179.6-85.8-26.5000112.9S228 T229 K230D226-S228 VanDerWaalsContact C-N 3.31Å; D226-S228 PolarHBondContact O-N 2.97Å; D226-T229 PolarHBondContact O-N 3.39Å; D226-K230 WeakPolarHBondContact O-CB 3.46Å; D226-K230 PolarHBondContact O-N 3.41Å
227A76.2Confident71.2Confident60 Ų60116.9 Ų116.950%0.49663%0.626SS.*Hα-helixtrans-61.4-41.717500000111.4R231A227-R231 WeakPolarHBondContact O-CB 3.42Å; A227-R231 PolarHBondContact O-N 2.95Å
228S78.9Confident73.8Confident60 Ų60114.6 Ų114.642%0.4261%0.613SS.*Hα-helixtrans-65.7-43.417880.40000112.1N224 G225 D226 R231 I232N224-S228 PolarHBondContact O-N 3.37Å; G225-S228 PolarHBondContact O-N 3.28Å; G225-S228 PolarHBondContact O-OG 3.28Å; D226-S228 VanDerWaalsContact C-N 3.31Å; D226-S228 PolarHBondContact O-N 2.97Å; S228-R231 WeakPolarHBondContact O-CB 3.42Å; S228-R231 PolarHBondContact O-N 3.23Å; S228-I232 WeakPolarHBondContact O-CG1 3.38Å; S228-I232 PolarHBondContact O-N 2.93Å
229T85.5Confident76.7Confident60 Ų60117.2 Ų117.237%0.36860%0.603SS.*Hα-helixtrans-67.9-41.9-179.9-53.90000111.4G225 D226 R231 I232 R233G225-T229 PolarHBondContact O-N 2.96Å; G225-T229 PolarHBondContact O-OG1 3.24Å; G225-T229 VanDerWaalsContact O-OG1 3.14Å; D226-T229 PolarHBondContact O-N 3.39Å; T229-R231 VanDerWaalsContact C-N 3.34Å; T229-R231 PolarHBondContact O-N 2.92Å; T229-I232 PolarHBondContact O-N 3.35Å; T229-R233 WeakPolarHBondContact O-CG 3.38Å; T229-R233 PolarHBondContact O-N 2.67Å
230K88.5Confident79.4Confident152 Ų152116 Ų11666%0.66160%0.595SS**Hα-helixtrans-57.6-46.8170.7-91.1-175.2175.4178.90111.1D226 I232 R233 T234D226-K230 WeakPolarHBondContact O-CB 3.46Å; D226-K230 PolarHBondContact O-N 3.41Å; K230-I232 VanDerWaalsContact C-N 3.32Å; K230-I232 PolarHBondContact O-N 2.83Å; K230-R233 PolarHBondContact O-N 3.43Å; K230-T234 PolarHBondContact O-N 3.02Å; K230-T234 PolarHBondContact O-OG1 3.23Å; K230-T234 VanDerWaalsContact O-OG1 3.05Å
231R89.6Confident82.1Confident161 Ų161112.4 Ų112.461%0.60857%0.574SS**Hα-helixtrans-60.5-39.8179.6-167.6-179.8-172.4-165.64.1112.4A227 S228 T229 R235A227-R231 WeakPolarHBondContact O-CB 3.42Å; A227-R231 PolarHBondContact O-N 2.95Å; S228-R231 WeakPolarHBondContact O-CB 3.42Å; S228-R231 PolarHBondContact O-N 3.23Å; T229-R231 VanDerWaalsContact C-N 3.34Å; T229-R231 PolarHBondContact O-N 2.92Å; R231-R235 WeakPolarHBondContact O-CG 3.42Å; R231-R235 PolarHBondContact O-N 2.92Å
232I90.1Very high84.3Confident102 Ų102109.9 Ų109.952%0.52356%0.559SS.*Hα-helixtrans-65.2-47.1176.4-66.9164.9000110.5S228 T229 K230 T234 R235 E236S228-I232 WeakPolarHBondContact O-CG1 3.38Å; S228-I232 PolarHBondContact O-N 2.93Å; T229-I232 PolarHBondContact O-N 3.35Å; K230-I232 VanDerWaalsContact C-N 3.32Å; K230-I232 PolarHBondContact O-N 2.83Å; I232-T234 PolarHBondContact O-N 2.8Å; I232-R235 PolarHBondContact O-N 3.27Å; I232-R235 VanDerWaalsContact O-N 3.17Å; I232-E236 PolarHBondContact O-N 3.4Å
233R93Very high86.5Confident171 Ų171109.5 Ų109.565%0.64555%0.554SS**Hα-helixtrans-59.4-44.1177.1-71.5-179-176.5168.33112.1T229 K230 R235 E236 Q237T229-R233 WeakPolarHBondContact O-CG 3.38Å; T229-R233 PolarHBondContact O-N 2.67Å; K230-R233 PolarHBondContact O-N 3.43Å; R233-R235 VanDerWaalsContact C-N 3.32Å; R233-R235 PolarHBondContact O-N 3.47Å; R233-E236 PolarHBondContact O-N 3Å; R233-Q237 WeakPolarHBondContact O-CB 3.4Å; R233-Q237 WeakPolarHBondContact O-CG 3.45Å; R233-Q237 PolarHBondContact O-N 2.75Å
234T94.1Very high88.5Confident74 Ų74103.8 Ų103.845%0.45453%0.533SS..Hα-helixtrans-64.7-35.3177.1-54.40000112.3K230 I232 N238K230-T234 PolarHBondContact O-N 3.02Å; K230-T234 PolarHBondContact O-OG1 3.23Å; K230-T234 VanDerWaalsContact O-OG1 3.05Å; I232-T234 PolarHBondContact O-N 2.8Å; T234-N238 WeakPolarHBondContact O-CB 3.37Å; T234-N238 PolarHBondContact O-N 2.74Å; T234-N238 PolarHBondContact O-ND2 3.41Å
235R95.4Very high90.5Very high150 Ų150103.6 Ų103.657%0.56652%0.523SS*.Hα-helixtrans-66.5-44.7174.3-79.3178.3175.6-174.1-2112R231 I232 R233 N238 K239R231-R235 WeakPolarHBondContact O-CG 3.42Å; R231-R235 PolarHBondContact O-N 2.92Å; I232-R235 PolarHBondContact O-N 3.27Å; I232-R235 VanDerWaalsContact O-N 3.17Å; R233-R235 VanDerWaalsContact C-N 3.32Å; R233-R235 PolarHBondContact O-N 3.47Å; R235-N238 PolarHBondContact O-N 2.67Å; R235-K239 WeakPolarHBondContact O-CB 3.39Å; R235-K239 PolarHBondContact O-N 3.42Å
236E95.7Very high92.2Very high92 Ų92110.8 Ų110.843%0.4354%0.538SS..Hα-helixtrans-66-40177.3-76.4-57.3146.200112I232 R233 N238 K239 I240I232-E236 PolarHBondContact O-N 3.4Å; R233-E236 PolarHBondContact O-N 3Å; E236-N238 PolarHBondContact O-N 3.24Å; E236-K239 WeakPolarHBondContact O-CB 3.41Å; E236-K239 PolarHBondContact O-N 2.82Å; E236-K239 IonicContact OE1-NZ 2.67Å; E236-K239 IonicContact OE2-NZ 3.43Å; E236-I240 WeakPolarHBondContact O-CG1 3.48Å; E236-I240 PolarHBondContact O-N 3.26Å
237Q96.7Very high93.5Very high131 Ų131107.8 Ų107.861%0.61253%0.53SS*.Hα-helixtrans-60.6-44172.3-74.4176.7-1300112.2R233 K239 I240 A241R233-Q237 WeakPolarHBondContact O-CB 3.4Å; R233-Q237 WeakPolarHBondContact O-CG 3.45Å; R233-Q237 PolarHBondContact O-N 2.75Å; Q237-K239 VanDerWaalsContact C-N 3.32Å; Q237-K239 PolarHBondContact O-N 2.91Å; Q237-I240 PolarHBondContact O-N 2.83Å; Q237-A241 WeakPolarHBondContact O-CB 3.46Å; Q237-A241 PolarHBondContact O-N 2.89Å
238N97.1Very high94.6Very high103 Ų103112 Ų11255%0.55153%0.533SS*.Hα-helixtrans-63-38.2175.2-90.8-64.2000112.4T234 R235 E236 A241 A242T234-N238 WeakPolarHBondContact O-CB 3.37Å; T234-N238 PolarHBondContact O-N 2.74Å; T234-N238 PolarHBondContact O-ND2 3.41Å; R235-N238 PolarHBondContact O-N 2.67Å; E236-N238 PolarHBondContact O-N 3.24Å; N238-A241 PolarHBondContact O-N 3.4Å; N238-A242 VanDerWaalsContact O-CB 3.23Å; N238-A242 WeakPolarHBondContact O-CB 3.45Å; N238-A242 PolarHBondContact O-N 3.46Å
239K98.2Very high95.5Very high133 Ų133115.5 Ų115.558%0.57854%0.54SS*.Hα-helixtrans-63.6-43.1176.1-171.7-177.4178.1-1730111.4R235 E236 Q237 K243R235-K239 WeakPolarHBondContact O-CB 3.39Å; R235-K239 PolarHBondContact O-N 3.42Å; E236-K239 WeakPolarHBondContact O-CB 3.41Å; E236-K239 PolarHBondContact O-N 2.82Å; E236-K239 IonicContact OE1-NZ 2.67Å; E236-K239 IonicContact OE2-NZ 3.43Å; Q237-K239 VanDerWaalsContact C-N 3.32Å; Q237-K239 PolarHBondContact O-N 2.91Å; K239-K243 WeakPolarHBondContact O-CB 3.28Å; K239-K243 PolarHBondContact O-N 3.47Å
240I97.9Very high96.1Very high113 Ų113119.4 Ų119.458%0.57955%0.552SS**Hα-helixtrans-64.5-46.4175-65.5165.6000110.5E236 Q237 A242 K243 S244E236-I240 WeakPolarHBondContact O-CG1 3.48Å; E236-I240 PolarHBondContact O-N 3.26Å; Q237-I240 PolarHBondContact O-N 2.83Å; I240-A242 PolarHBondContact O-N 2.86Å; I240-K243 PolarHBondContact O-N 3.38Å; I240-S244 WeakPolarHBondContact O-CB 3.44Å; I240-S244 PolarHBondContact O-N 3.47Å
241A98.1Very high96.5Very high52 Ų52117.8 Ų117.843%0.4355%0.547SS..Hα-helixtrans-60.8-43.6177.900000111.9Q237 N238 S244 Y245Q237-A241 WeakPolarHBondContact O-CB 3.46Å; Q237-A241 PolarHBondContact O-N 2.89Å; N238-A241 PolarHBondContact O-N 3.4Å; A241-S244 PolarHBondContact O-N 2.85Å; A241-Y245 WeakPolarHBondContact O-CB 3.17Å; A241-Y245 PolarHBondContact O-N 3.3Å
242A98Very high96.9Very high44 Ų44114.4 Ų114.436%0.36454%0.544SS..Hα-helixtrans-64-40.7176.100000112N238 I240 Y245 R246N238-A242 VanDerWaalsContact O-CB 3.23Å; N238-A242 WeakPolarHBondContact O-CB 3.45Å; N238-A242 PolarHBondContact O-N 3.46Å; I240-A242 PolarHBondContact O-N 2.86Å; A242-Y245 PolarHBondContact O-N 3.05Å; A242-R246 VanDerWaalsContact O-CG 3.31Å; A242-R246 WeakPolarHBondContact O-CG 3.35Å; A242-R246 PolarHBondContact O-N 2.92Å
243K98.4Very high97.2Very high165 Ų165115.7 Ų115.772%0.71755%0.547SS*.Hα-helixtrans-63.5-46175-172.9178.4178.9-176.70111.3K239 I240 Y245 R246 A247K239-K243 WeakPolarHBondContact O-CB 3.28Å; K239-K243 PolarHBondContact O-N 3.47Å; I240-K243 PolarHBondContact O-N 3.38Å; K243-Y245 PolarHBondContact O-N 3Å; K243-R246 PolarHBondContact O-N 3.31Å; K243-A247 WeakPolarHBondContact O-CB 3.23Å; K243-A247 PolarHBondContact O-N 2.95Å
244S98.2Very high97.4Very high54 Ų54112.9 Ų112.938%0.37854%0.54SS..Hα-helixtrans-60.8-43.1176173.60000112I240 A241 A247 R248I240-S244 WeakPolarHBondContact O-CB 3.44Å; I240-S244 PolarHBondContact O-N 3.47Å; A241-S244 PolarHBondContact O-N 2.85Å; S244-A247 PolarHBondContact O-N 2.89Å; S244-R248 WeakPolarHBondContact O-CG 3.02Å; S244-R248 PolarHBondContact O-N 2.78Å
245Y98.2Very high97.6Very high136 Ų136114.5 Ų114.553%0.53355%0.546SS..Hα-helixtrans-61-47.2175.2175.6-97.1000112.2A241 A242 K243 A247 R248 K249A241-Y245 WeakPolarHBondContact O-CB 3.17Å; A241-Y245 PolarHBondContact O-N 3.3Å; A242-Y245 PolarHBondContact O-N 3.05Å; K243-Y245 PolarHBondContact O-N 3Å; Y245-A247 VanDerWaalsContact C-N 3.32Å; Y245-A247 PolarHBondContact O-N 2.99Å; Y245-R248 PolarHBondContact O-N 2.62Å; Y245-K249 HydrophobicContact CE1-CD 4.25Å; Y245-K249 WeakPolarHBondContact O-CB 3.46Å; Y245-K249 PolarHBondContact O-N 2.83Å
246R98.2Very high97.7Very high192 Ų192112.8 Ų112.873%0.72555%0.548SS*.Hα-helixtrans-62.5-39.4177.7-71177-170.8-158.33.2112A242 K243 K249 K250A242-R246 VanDerWaalsContact O-CG 3.31Å; A242-R246 WeakPolarHBondContact O-CG 3.35Å; A242-R246 PolarHBondContact O-N 2.92Å; K243-R246 PolarHBondContact O-N 3.31Å; R246-K249 PolarHBondContact O-N 3.41Å; R246-K250 PolarHBondContact O-N 3.44Å
247A98.3Very high97.8Very high59 Ų59111.7 Ų111.749%0.48854%0.544SS..Hα-helixtrans-62.4-51.1175.900000111.4K243 S244 Y245 K249 K250 E251K243-A247 WeakPolarHBondContact O-CB 3.23Å; K243-A247 PolarHBondContact O-N 2.95Å; S244-A247 PolarHBondContact O-N 2.89Å; Y245-A247 VanDerWaalsContact C-N 3.32Å; Y245-A247 PolarHBondContact O-N 2.99Å; A247-K249 VanDerWaalsContact C-N 3.34Å; A247-K249 PolarHBondContact O-N 3.48Å; A247-K250 WeakPolarHBondContact O-CB 3.49Å; A247-K250 PolarHBondContact O-N 2.96Å; A247-K250 VanDerWaalsContact O-N 3.15Å; A247-E251 PolarHBondContact O-N 2.78Å
248R98.1Very high97.8Very high149 Ų149108.7 Ų108.756%0.56254%0.537SS*.Hα-helixtrans-57.9-44.6175.9-74.3-173.4-72-177.6-0.1112S244 Y245 K250 E251 T252S244-R248 WeakPolarHBondContact O-CG 3.02Å; S244-R248 PolarHBondContact O-N 2.78Å; Y245-R248 PolarHBondContact O-N 2.62Å; R248-K250 VanDerWaalsContact C-N 3.31Å; R248-K250 PolarHBondContact O-N 3.01Å; R248-E251 WeakPolarHBondContact O-CB 3.48Å; R248-E251 PolarHBondContact O-N 3.49Å; R248-T252 PolarHBondContact O-N 3.4Å; R248-T252 PolarHBondContact O-OG1 2.75Å
249K97.8Very high97.9Very high132 Ų132106.1 Ų106.157%0.57453%0.53SS*.Hα-helixtrans-60.3-40.4177.4-173.1174.4-178.3175.50112.3Y245 R246 A247 F253Y245-K249 HydrophobicContact CE1-CD 4.25Å; Y245-K249 WeakPolarHBondContact O-CB 3.46Å; Y245-K249 PolarHBondContact O-N 2.83Å; R246-K249 PolarHBondContact O-N 3.41Å; A247-K249 VanDerWaalsContact C-N 3.34Å; A247-K249 PolarHBondContact O-N 3.48Å; K249-F253 WeakPolarHBondContact O-CB 3.3Å; K249-F253 PolarHBondContact O-N 3Å; K249-F253 VanDerWaalsContact O-N 3.08Å
250K97.8Very high97.8Very high142 Ų142104.1 Ų104.162%0.61753%0.526SS*.Hα-helixtrans-64.9-43176.4-172.8-179.4178.5-176.50111.4R246 A247 R248 F253 Q254R246-K250 PolarHBondContact O-N 3.44Å; A247-K250 WeakPolarHBondContact O-CB 3.49Å; A247-K250 PolarHBondContact O-N 2.96Å; A247-K250 VanDerWaalsContact O-N 3.15Å; R248-K250 VanDerWaalsContact C-N 3.31Å; R248-K250 PolarHBondContact O-N 3.01Å; K250-F253 PolarHBondContact O-N 3.3Å; K250-Q254 PolarHBondContact O-N 3.17Å
251E97.8Very high97.8Very high118 Ų118104 Ų10455%0.55152%0.523SS*.Hα-helixtrans-63.5-48.1176.5-176.2-178.7-168.300111.9A247 R248 F253 Q254 L255A247-E251 PolarHBondContact O-N 2.78Å; R248-E251 WeakPolarHBondContact O-CB 3.48Å; R248-E251 PolarHBondContact O-N 3.49Å; E251-F253 VanDerWaalsContact C-N 3.25Å; E251-F253 PolarHBondContact O-N 3.23Å; E251-Q254 PolarHBondContact O-N 3.15Å; E251-Q254 VanDerWaalsContact O-N 3.09Å; E251-L255 HydrophobicContact CG-CD1 4.38Å; E251-L255 PolarHBondContact O-N 3.28Å
252T97.4Very high97.8Very high90 Ų90107 Ų10755%0.55253%0.528SS*.Hα-helixtrans-58-39.9176.4-50.90000111.7R248 L255 L256R248-T252 PolarHBondContact O-N 3.4Å; R248-T252 PolarHBondContact O-OG1 2.75Å; T252-L255 PolarHBondContact O-N 3.09Å; T252-L256 WeakPolarHBondContact O-CB 3.48Å; T252-L256 PolarHBondContact O-N 3.4Å
253F96.7Very high97.8Very high130 Ų130110 Ų11057%0.5754%0.538SS*.Hα-helixtrans-66.1-40.6177-171.6-107.8000112.2K249 K250 E251 L256 I257K249-F253 WeakPolarHBondContact O-CB 3.3Å; K249-F253 PolarHBondContact O-N 3Å; K249-F253 VanDerWaalsContact O-N 3.08Å; K250-F253 PolarHBondContact O-N 3.3Å; E251-F253 VanDerWaalsContact C-N 3.25Å; E251-F253 PolarHBondContact O-N 3.23Å; F253-L256 PolarHBondContact O-N 3.06Å; F253-I257 HydrophobicContact CD1-CD1 3.65Å; F253-I257 HydrophobicContact CD1-CG1 4.48Å; F253-I257 HydrophobicContact CE1-CD1 3.38Å; F253-I257 HydrophobicContact CE1-CG1 4.24Å; F253-I257 HydrophobicContact CG-CD1 4.49Å; F253-I257 HydrophobicContact CZ-CD1 3.99Å; F253-I257 HydrophobicContact CZ-CG1 4.43Å; F253-I257 WeakPolarHBondContact O-CG1 3.37Å; F253-I257 PolarHBondContact O-N 3.03Å
254Q97.5Very high97.8Very high111 Ų111106.7 Ų106.752%0.51952%0.524SS..Hα-helixtrans-64.9-39.2174.3-74.9-176.2-0.900112.6K250 E251 L256 I257 S258K250-Q254 PolarHBondContact O-N 3.17Å; E251-Q254 PolarHBondContact O-N 3.15Å; E251-Q254 VanDerWaalsContact O-N 3.09Å; Q254-L256 VanDerWaalsContact C-N 3.34Å; Q254-I257 PolarHBondContact O-N 2.86Å; Q254-S258 WeakPolarHBondContact O-CB 3.47Å; Q254-S258 PolarHBondContact O-N 2.86Å; Q254-S258 PolarHBondContact O-OG 3.41Å
255L97.9Very high97.8Very high108 Ų108110.3 Ų110.357%0.56553%0.533SS*.Hα-helixtrans-61.1-43.7173.5-74.4170000111.1E251 T252 S258 A259E251-L255 HydrophobicContact CG-CD1 4.38Å; E251-L255 PolarHBondContact O-N 3.28Å; T252-L255 PolarHBondContact O-N 3.09Å; L255-S258 PolarHBondContact O-N 2.88Å; L255-A259 WeakPolarHBondContact O-CB 3.39Å; L255-A259 PolarHBondContact O-N 3.21Å
256L97.6Very high97.8Very high115 Ų115108.5 Ų108.560%0.60253%0.53SS*.Hα-helixtrans-63.7-42.3178.1-172.165.6000112.1T252 F253 Q254 A259 N260T252-L256 WeakPolarHBondContact O-CB 3.48Å; T252-L256 PolarHBondContact O-N 3.4Å; F253-L256 PolarHBondContact O-N 3.06Å; Q254-L256 VanDerWaalsContact C-N 3.34Å; L256-A259 PolarHBondContact O-N 3.26Å; L256-N260 WeakPolarHBondContact O-CB 3.27Å; L256-N260 PolarHBondContact O-N 3.49Å
257I97.6Very high97.7Very high69 Ų69105 Ų10535%0.35452%0.52SS..Hα-helixtrans-60-48.1174.4-69.8165.7000110.3F253 Q254 A259 N260 Q261F253-I257 HydrophobicContact CD1-CD1 3.65Å; F253-I257 HydrophobicContact CD1-CG1 4.48Å; F253-I257 HydrophobicContact CE1-CD1 3.38Å; F253-I257 HydrophobicContact CE1-CG1 4.24Å; F253-I257 HydrophobicContact CG-CD1 4.49Å; F253-I257 HydrophobicContact CZ-CD1 3.99Å; F253-I257 HydrophobicContact CZ-CG1 4.43Å; F253-I257 WeakPolarHBondContact O-CG1 3.37Å; F253-I257 PolarHBondContact O-N 3.03Å; Q254-I257 PolarHBondContact O-N 2.86Å; I257-A259 PolarHBondContact O-N 3.45Å; I257-N260 PolarHBondContact O-N 3.08Å; I257-Q261 WeakPolarHBondContact O-CG 3.46Å; I257-Q261 PolarHBondContact O-N 2.98Å
258S97.9Very high97.7Very high67 Ų67106.4 Ų106.447%0.46952%0.523SS..Hα-helixtrans-63.1-42.6-178.6-55.50000111.5Q254 L255 Q261 Q262Q254-S258 WeakPolarHBondContact O-CB 3.47Å; Q254-S258 PolarHBondContact O-N 2.86Å; Q254-S258 PolarHBondContact O-OG 3.41Å; L255-S258 PolarHBondContact O-N 2.88Å; S258-Q261 PolarHBondContact O-N 3.28Å; S258-Q262 PolarHBondContact O-N 2.99Å
259A98.2Very high97.7Very high49 Ų49103.8 Ų103.841%0.40552%0.517SS..Hα-helixtrans-62.8-41.5175.100000112L255 L256 I257 Q262 L263L255-A259 WeakPolarHBondContact O-CB 3.39Å; L255-A259 PolarHBondContact O-N 3.21Å; L256-A259 PolarHBondContact O-N 3.26Å; I257-A259 PolarHBondContact O-N 3.45Å; A259-Q262 PolarHBondContact O-N 3.23Å; A259-L263 WeakPolarHBondContact O-CG 3.36Å; A259-L263 PolarHBondContact O-N 3.42Å
260N97.3Very high97.7Very high91 Ų91101.8 Ų101.849%0.48751%0.512SS..Hα-helixtrans-63.1-44.7176.3-165.8-70.4000111.4L256 I257 Q262 L263 Q264L256-N260 WeakPolarHBondContact O-CB 3.27Å; L256-N260 PolarHBondContact O-N 3.49Å; I257-N260 PolarHBondContact O-N 3.08Å; N260-Q262 VanDerWaalsContact C-N 3.3Å; N260-Q262 PolarHBondContact O-N 3.22Å; N260-L263 PolarHBondContact O-N 3.32Å; N260-Q264 WeakPolarHBondContact O-CG 3.1Å; N260-Q264 PolarHBondContact O-N 3.32Å
261Q98Very high97.7Very high112 Ų11299.4 Ų99.452%0.52351%0.505SS..Hα-helixtrans-60.5-40175.6-70.8176.80.400112.1I257 S258 Q264 K265I257-Q261 WeakPolarHBondContact O-CG 3.46Å; I257-Q261 PolarHBondContact O-N 2.98Å; S258-Q261 PolarHBondContact O-N 3.28Å; Q261-Q264 PolarHBondContact O-N 2.85Å; Q261-K265 WeakPolarHBondContact O-CG 3.48Å; Q261-K265 PolarHBondContact O-N 3.2Å; Q261-K265 VanDerWaalsContact O-N 3.1Å
262Q98Very high97.7Very high115 Ų115100.2 Ų100.254%0.53750%0.503SS..Hα-helixtrans-64.7-44.8175.9-173.361.717.600111.7S258 A259 N260 Q264 K265 E266S258-Q262 PolarHBondContact O-N 2.99Å; A259-Q262 PolarHBondContact O-N 3.23Å; N260-Q262 VanDerWaalsContact C-N 3.3Å; N260-Q262 PolarHBondContact O-N 3.22Å; Q262-Q264 VanDerWaalsContact C-N 3.31Å; Q262-Q264 PolarHBondContact O-N 3.5Å; Q262-K265 WeakPolarHBondContact O-CB 3.46Å; Q262-K265 PolarHBondContact O-N 3.37Å; Q262-E266 PolarHBondContact O-N 2.94Å
263L98Very high97.8Very high107 Ų107100.2 Ų100.256%0.5650%0.495SS*.Hα-helixtrans-61.6-37.6175.8-75.1169.7000112.3A259 N260 E266 K267A259-L263 WeakPolarHBondContact O-CG 3.36Å; A259-L263 PolarHBondContact O-N 3.42Å; N260-L263 PolarHBondContact O-N 3.32Å; L263-E266 PolarHBondContact O-N 3.37Å; L263-K267 VanDerWaalsContact O-CB 3.29Å; L263-K267 WeakPolarHBondContact O-CB 3.13Å; L263-K267 PolarHBondContact O-N 2.98Å
264Q97.5Very high97.8Very high94 Ų9497.3 Ų97.344%0.43949%0.488SS..Hα-helixtrans-64.5-43175-69.3-64.7-17.300111.7N260 Q261 Q262 K267 T268N260-Q264 WeakPolarHBondContact O-CG 3.1Å; N260-Q264 PolarHBondContact O-N 3.32Å; Q261-Q264 PolarHBondContact O-N 2.85Å; Q262-Q264 VanDerWaalsContact C-N 3.31Å; Q262-Q264 PolarHBondContact O-N 3.5Å; Q264-K267 PolarHBondContact O-N 2.94Å; Q264-T268 WeakPolarHBondContact O-CG2 3.47Å; Q264-T268 PolarHBondContact O-N 2.95Å; Q264-T268 PolarHBondContact O-OG1 3.28Å
265K97.8Very high97.8Very high131 Ų13199.1 Ų99.157%0.5749%0.494SS*.Hα-helixtrans-60.4-48.6175.3-71.1174.7-178.3176.90111.1Q261 Q262 K267 T268 E269Q261-K265 WeakPolarHBondContact O-CG 3.48Å; Q261-K265 PolarHBondContact O-N 3.2Å; Q261-K265 VanDerWaalsContact O-N 3.1Å; Q262-K265 WeakPolarHBondContact O-CB 3.46Å; Q262-K265 PolarHBondContact O-N 3.37Å; K265-K267 PolarHBondContact O-N 3.35Å; K265-T268 PolarHBondContact O-N 3.43Å; K265-T268 VanDerWaalsContact O-N 3.17Å; K265-T268 PolarHBondContact O-OG1 3.4Å; K265-E269 PolarHBondContact O-N 3.01Å
266E98.1Very high97.8Very high97 Ų9798.9 Ų98.945%0.45349%0.49SS..Hα-helixtrans-60.9-43.8178.4-172.7177.6-179.500111.9Q262 L263 T268 E269 L270Q262-E266 PolarHBondContact O-N 2.94Å; L263-E266 PolarHBondContact O-N 3.37Å; E266-T268 VanDerWaalsContact C-N 3.33Å; E266-T268 PolarHBondContact O-N 3.49Å; E266-E269 PolarHBondContact O-N 2.98Å; E266-L270 HydrophobicContact CG-CD1 4.06Å; E266-L270 WeakPolarHBondContact O-CB 2.86Å; E266-L270 WeakPolarHBondContact O-CG 3.47Å; E266-L270 PolarHBondContact O-N 3.17Å
267K97.5Very high97.8Very high119 Ų11998.3 Ų98.352%0.51749%0.487SS..Hα-helixtrans-56.7-46.1174-179.8-177176.7-178.60111.5L263 Q264 K265 E269 L270 L271L263-K267 VanDerWaalsContact O-CB 3.29Å; L263-K267 WeakPolarHBondContact O-CB 3.13Å; L263-K267 PolarHBondContact O-N 2.98Å; Q264-K267 PolarHBondContact O-N 2.94Å; K265-K267 PolarHBondContact O-N 3.35Å; K267-E269 VanDerWaalsContact C-N 3.34Å; K267-E269 PolarHBondContact O-N 3.49Å; K267-L270 PolarHBondContact O-N 3.08Å; K267-L271 HydrophobicContact CG-CD1 4.13Å; K267-L271 WeakPolarHBondContact O-CB 3.45Å; K267-L271 VanDerWaalsContact O-CG 3.31Å; K267-L271 WeakPolarHBondContact O-CG 3.45Å; K267-L271 PolarHBondContact O-N 2.89Å
268T97.8Very high97.9Very high89 Ų89100.5 Ų100.555%0.54650%0.496SS..Hα-helixtrans-64.7-38.2178.757.50000112.4Q264 K265 E266 R272Q264-T268 WeakPolarHBondContact O-CG2 3.47Å; Q264-T268 PolarHBondContact O-N 2.95Å; Q264-T268 PolarHBondContact O-OG1 3.28Å; K265-T268 PolarHBondContact O-N 3.43Å; K265-T268 VanDerWaalsContact O-N 3.17Å; K265-T268 PolarHBondContact O-OG1 3.4Å; E266-T268 VanDerWaalsContact C-N 3.33Å; E266-T268 PolarHBondContact O-N 3.49Å; T268-R272 PolarHBondContact O-N 3.39Å
269E98.1Very high97.8Very high94 Ų94100.7 Ų100.744%0.43950%0.498SS..Hα-helixtrans-66.3-44.2176.3-167.9-168.1152.200111.7K265 E266 K267 R272 K273K265-E269 PolarHBondContact O-N 3.01Å; E266-E269 PolarHBondContact O-N 2.98Å; K267-E269 VanDerWaalsContact C-N 3.34Å; K267-E269 PolarHBondContact O-N 3.49Å; E269-R272 WeakPolarHBondContact O-CB 3.3Å; E269-R272 PolarHBondContact O-N 3.08Å; E269-K273 PolarHBondContact O-N 3.46Å; E269-K273 WeakPolarHBondContact OE1-CE 3.5Å; E269-K273 IonicContact OE1-NZ 3.2Å; E269-K273 PolarHBondContact OE1-NZ 3.21Å
270L98.3Very high97.8Very high89 Ų89103.3 Ų103.347%0.46650%0.501SS..Hα-helixtrans-62.4-45176.8-76.7168.6000111.5E266 K267 R272 K273 V274E266-L270 HydrophobicContact CG-CD1 4.06Å; E266-L270 WeakPolarHBondContact O-CB 2.86Å; E266-L270 WeakPolarHBondContact O-CG 3.47Å; E266-L270 PolarHBondContact O-N 3.17Å; K267-L270 PolarHBondContact O-N 3.08Å; L270-R272 VanDerWaalsContact C-N 3.26Å; L270-R272 PolarHBondContact O-N 3.02Å; L270-K273 PolarHBondContact O-N 3.19Å; L270-K273 VanDerWaalsContact O-N 3.11Å; L270-V274 WeakPolarHBondContact O-CG2 3.22Å; L270-V274 PolarHBondContact O-N 3.12Å
271L97.7Very high97.8Very high92 Ų92102.2 Ų102.248%0.48250%0.498SS..Hα-helixtrans-60-37.7175.3-74.3173000112.1K267 K275K267-L271 HydrophobicContact CG-CD1 4.13Å; K267-L271 WeakPolarHBondContact O-CB 3.45Å; K267-L271 VanDerWaalsContact O-CG 3.31Å; K267-L271 WeakPolarHBondContact O-CG 3.45Å; K267-L271 PolarHBondContact O-N 2.89Å; L271-K275 WeakPolarHBondContact O-CG 3.26Å; L271-K275 PolarHBondContact O-N 3.2Å
272R97.9Very high97.7Very high136 Ų136101.4 Ų101.451%0.51350%0.5SS..Hα-helixtrans-64-43.7174.1-168.8-166.764.770.2-0.4111.5T268 E269 L270 K275 Q276T268-R272 PolarHBondContact O-N 3.39Å; E269-R272 WeakPolarHBondContact O-CB 3.3Å; E269-R272 PolarHBondContact O-N 3.08Å; L270-R272 VanDerWaalsContact C-N 3.26Å; L270-R272 PolarHBondContact O-N 3.02Å; R272-K275 PolarHBondContact O-N 3.45Å; R272-Q276 WeakPolarHBondContact O-CB 3.4Å; R272-Q276 PolarHBondContact O-N 3.34Å
273K97.9Very high97.6Very high89 Ų89100 Ų10039%0.38750%0.497SS..Hα-helixtrans-64.8-42177.2-72.8178.1-175.5164.70112E269 L270 Q276 L277E269-K273 PolarHBondContact O-N 3.46Å; E269-K273 WeakPolarHBondContact OE1-CE 3.5Å; E269-K273 IonicContact OE1-NZ 3.2Å; E269-K273 PolarHBondContact OE1-NZ 3.21Å; L270-K273 PolarHBondContact O-N 3.19Å; L270-K273 VanDerWaalsContact O-N 3.11Å; K273-Q276 WeakPolarHBondContact O-CB 3.46Å; K273-Q276 PolarHBondContact O-N 2.99Å; K273-L277 WeakPolarHBondContact O-CG 3.44Å; K273-L277 PolarHBondContact O-N 3.35Å
274V97.7Very high97.5Very high70 Ų7099.2 Ų99.242%0.42449%0.493SS..Hα-helixtrans-59.5-51176170.10000110.2L270 Q276 L277 E278L270-V274 WeakPolarHBondContact O-CG2 3.22Å; L270-V274 PolarHBondContact O-N 3.12Å; V274-Q276 VanDerWaalsContact C-N 3.27Å; V274-Q276 PolarHBondContact O-N 2.95Å; V274-L277 PolarHBondContact O-N 2.86Å; V274-L277 VanDerWaalsContact O-N 3.14Å; V274-E278 HydrophobicContact CG1-CG 4.22Å; V274-E278 WeakPolarHBondContact O-CB 3.47Å; V274-E278 WeakPolarHBondContact O-CG 3.4Å; V274-E278 PolarHBondContact O-N 3.39Å
275K97.8Very high97.4Very high148 Ų148102.9 Ų102.964%0.64350%0.502SS*.Hα-helixtrans-57.9-39.3176.6-74.1-177.8178.2-1740112.9L271 R272 S279L271-K275 WeakPolarHBondContact O-CG 3.26Å; L271-K275 PolarHBondContact O-N 3.2Å; R272-K275 PolarHBondContact O-N 3.45Å; K275-S279 PolarHBondContact O-N 3.24Å
276Q97.9Very high97.2Very high103 Ų103101.8 Ų101.848%0.48150%0.499SS..Hα-helixtrans-63.3-47.9176.5-176.5176.5-6.300111.3R272 K273 V274 S279 E280R272-Q276 WeakPolarHBondContact O-CB 3.4Å; R272-Q276 PolarHBondContact O-N 3.34Å; K273-Q276 WeakPolarHBondContact O-CB 3.46Å; K273-Q276 PolarHBondContact O-N 2.99Å; V274-Q276 VanDerWaalsContact C-N 3.27Å; V274-Q276 PolarHBondContact O-N 2.95Å; Q276-S279 PolarHBondContact O-N 3.3Å; Q276-S279 PolarHBondContact O-OG 2.86Å; Q276-E280 PolarHBondContact O-N 2.89Å
277L98Very high97Very high103 Ų103104.4 Ų104.454%0.53951%0.505SS..Hα-helixtrans-66.6-38.9178.4-70.5171.2000112.3K273 V274 S279 E280 V281K273-L277 WeakPolarHBondContact O-CG 3.44Å; K273-L277 PolarHBondContact O-N 3.35Å; V274-L277 PolarHBondContact O-N 2.86Å; V274-L277 VanDerWaalsContact O-N 3.14Å; L277-S279 VanDerWaalsContact C-N 3.31Å; L277-S279 PolarHBondContact O-N 3.45Å; L277-E280 PolarHBondContact O-N 3.45Å; L277-V281 WeakPolarHBondContact O-CG2 3.45Å; L277-V281 PolarHBondContact O-N 2.96Å
278E97.7Very high96.7Very high116 Ų116104.1 Ų104.154%0.54251%0.508SS..Hα-helixtrans-58.5-44.3173.3-74.7173.9162.700111V274 E280 V281 V282V274-E278 HydrophobicContact CG1-CG 4.22Å; V274-E278 WeakPolarHBondContact O-CB 3.47Å; V274-E278 WeakPolarHBondContact O-CG 3.4Å; V274-E278 PolarHBondContact O-N 3.39Å; E278-E280 VanDerWaalsContact C-N 3.33Å; E278-E280 PolarHBondContact O-N 2.98Å; E278-V281 PolarHBondContact O-N 2.98Å; E278-V282 VanDerWaalsContact O-CG2 3.32Å; E278-V282 WeakPolarHBondContact O-CG2 3.31Å; E278-V282 PolarHBondContact O-N 3.23Å
279S97.2Very high96.3Very high71 Ų71104.3 Ų104.350%0.49751%0.506SS..Hα-helixtrans-64.1-37.5176.775.40000112.7K275 Q276 L277 V282 N283K275-S279 PolarHBondContact O-N 3.24Å; Q276-S279 PolarHBondContact O-N 3.3Å; Q276-S279 PolarHBondContact O-OG 2.86Å; L277-S279 VanDerWaalsContact C-N 3.31Å; L277-S279 PolarHBondContact O-N 3.45Å; S279-V282 PolarHBondContact O-N 3.27Å; S279-N283 WeakPolarHBondContact O-CB 3.23Å; S279-N283 PolarHBondContact O-N 2.86Å
280E97.2Very high95.9Very high103 Ų103104.6 Ų104.648%0.48151%0.507SS..Hα-helixtrans-68-42.6176.8-171.7175.717900111.3Q276 L277 E278 V282 N283 L284Q276-E280 PolarHBondContact O-N 2.89Å; L277-E280 PolarHBondContact O-N 3.45Å; E278-E280 VanDerWaalsContact C-N 3.33Å; E278-E280 PolarHBondContact O-N 2.98Å; E280-V282 VanDerWaalsContact C-N 3.35Å; E280-V282 PolarHBondContact O-N 2.82Å; E280-N283 PolarHBondContact O-N 3.28Å; E280-L284 HydrophobicContact CG-CD1 4.18Å; E280-L284 WeakPolarHBondContact O-CB 3.34Å; E280-L284 VanDerWaalsContact O-CG 3.3Å; E280-L284 WeakPolarHBondContact O-CG 3.48Å; E280-L284 PolarHBondContact O-N 3.05Å
281V97.3Very high95Very high69 Ų69105.8 Ų105.842%0.41852%0.515SS..Hα-helixtrans-61.9-43.1175.2170.10000111.1L277 E278 L284 R285L277-V281 WeakPolarHBondContact O-CG2 3.45Å; L277-V281 PolarHBondContact O-N 2.96Å; E278-V281 PolarHBondContact O-N 2.98Å; V281-L284 PolarHBondContact O-N 2.96Å; V281-R285 HydrophobicContact CG1-CG 4.44Å; V281-R285 WeakPolarHBondContact O-CB 3.41Å; V281-R285 VanDerWaalsContact O-CG 3.3Å; V281-R285 WeakPolarHBondContact O-CG 3.26Å; V281-R285 PolarHBondContact O-N 2.93Å
282V96.9Very high94.1Very high94 Ų94105.5 Ų105.557%0.5752%0.516SS*.Hα-helixtrans-61.8-46176.2170.70000110.7E278 S279 E280 L284 R285 Q286E278-V282 VanDerWaalsContact O-CG2 3.32Å; E278-V282 WeakPolarHBondContact O-CG2 3.31Å; E278-V282 PolarHBondContact O-N 3.23Å; S279-V282 PolarHBondContact O-N 3.27Å; E280-V282 VanDerWaalsContact C-N 3.35Å; E280-V282 PolarHBondContact O-N 2.82Å; V282-L284 PolarHBondContact O-N 3.07Å; V282-R285 PolarHBondContact O-N 3.33Å; V282-Q286 WeakPolarHBondContact O-CB 3.37Å; V282-Q286 PolarHBondContact O-N 3.21Å
283N96Very high92.6Very high87 Ų87109.3 Ų109.347%0.46553%0.531SS..Hα-helixtrans-60.9-46.2177.5-171.6-51.5000111.7S279 E280 R285 Q286 R287S279-N283 WeakPolarHBondContact O-CB 3.23Å; S279-N283 PolarHBondContact O-N 2.86Å; E280-N283 PolarHBondContact O-N 3.28Å; N283-R285 PolarHBondContact O-N 2.89Å; N283-Q286 PolarHBondContact O-N 3.46Å; N283-R287 WeakPolarHBondContact O-CG 3.37Å; N283-R287 PolarHBondContact O-N 3.12Å; N283-R287 WeakPolarHBondContact OD1-CD 3.37Å
284L95.5Very high90.9Very high90 Ų90110.4 Ų110.447%0.47155%0.545SS..Hα-helixtrans-62.9-41.4178.1-72.8172.5000112.3E280 V281 V282 R287 L288E280-L284 HydrophobicContact CG-CD1 4.18Å; E280-L284 WeakPolarHBondContact O-CB 3.34Å; E280-L284 VanDerWaalsContact O-CG 3.3Å; E280-L284 WeakPolarHBondContact O-CG 3.48Å; E280-L284 PolarHBondContact O-N 3.05Å; V281-L284 PolarHBondContact O-N 2.96Å; V282-L284 PolarHBondContact O-N 3.07Å; L284-R287 PolarHBondContact O-N 2.91Å; L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 PolarHBondContact O-N 2.98Å
285R95Very high88.8Confident171 Ų171110.4 Ų110.465%0.64555%0.553SS**Hα-helixtrans-62.6-44.9174.9-75.4178.8-178.6-154.91.4111.5V281 V282 N283 R287 L288 D289V281-R285 HydrophobicContact CG1-CG 4.44Å; V281-R285 WeakPolarHBondContact O-CB 3.41Å; V281-R285 VanDerWaalsContact O-CG 3.3Å; V281-R285 WeakPolarHBondContact O-CG 3.26Å; V281-R285 PolarHBondContact O-N 2.93Å; V282-R285 PolarHBondContact O-N 3.33Å; N283-R285 PolarHBondContact O-N 2.89Å; R285-R287 VanDerWaalsContact C-N 3.33Å; R285-R287 PolarHBondContact O-N 3.31Å; R285-L288 WeakPolarHBondContact O-CB 3.39Å; R285-L288 PolarHBondContact O-N 2.93Å; R285-L288 VanDerWaalsContact O-N 3.08Å; R285-D289 PolarHBondContact O-N 2.83Å
286Q94Very high86.5Confident108 Ų108106.8 Ų106.851%0.50555%0.55SS.*Hα-helixtrans-58.4-45.3176.8-176.1-178.6-8.500111.6V282 N283 L288 D289 E290V282-Q286 WeakPolarHBondContact O-CB 3.37Å; V282-Q286 PolarHBondContact O-N 3.21Å; N283-Q286 PolarHBondContact O-N 3.46Å; Q286-L288 VanDerWaalsContact C-N 3.26Å; Q286-L288 PolarHBondContact O-N 2.91Å; Q286-D289 PolarHBondContact O-N 3.4Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.44Å; Q286-E290 PolarHBondContact NE2-OE1 3.44Å; Q286-E290 WeakPolarHBondContact O-CB 3.5Å; Q286-E290 WeakPolarHBondContact O-CG 3.35Å; Q286-E290 PolarHBondContact O-N 3.22Å
287R93Very high84.2Confident151 Ų151107.5 Ų107.557%0.5756%0.564SS**Hα-helixtrans-62.9-32.9176.6-68.7177.271.1-173.13.2112.7N283 L284 R285 N291N283-R287 WeakPolarHBondContact O-CG 3.37Å; N283-R287 PolarHBondContact O-N 3.12Å; N283-R287 WeakPolarHBondContact OD1-CD 3.37Å; L284-R287 PolarHBondContact O-N 2.91Å; R285-R287 VanDerWaalsContact C-N 3.33Å; R285-R287 PolarHBondContact O-N 3.31Å; R287-N291 WeakPolarHBondContact O-CB 3.45Å; R287-N291 PolarHBondContact O-N 2.98Å; R287-N291 VanDerWaalsContact O-N 3.11Å
288L91.9Very high81.8Confident113 Ų113112.9 Ų112.959%0.59258%0.579SS**Hα-helixtrans-73.1-39.5177.8-144.5148.1000111.2L284 R285 Q286 N291 T292L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 PolarHBondContact O-N 2.98Å; R285-L288 WeakPolarHBondContact O-CB 3.39Å; R285-L288 PolarHBondContact O-N 2.93Å; R285-L288 VanDerWaalsContact O-N 3.08Å; Q286-L288 VanDerWaalsContact C-N 3.26Å; Q286-L288 PolarHBondContact O-N 2.91Å; L288-N291 PolarHBondContact O-N 3.33Å; L288-T292 WeakPolarHBondContact O-CG2 3.37Å; L288-T292 PolarHBondContact O-N 3.17Å; L288-T292 VanDerWaalsContact O-N 3.08Å; L288-T292 PolarHBondContact O-OG1 2.78Å; L288-T292 VanDerWaalsContact O-OG1 3.07Å
289D90.3Very high79.2Confident94 Ų94118.3 Ų118.350%0.50359%0.594SS.*Hα-helixtrans-67.8-36.9174.2-69.9-17.6000112.1R285 Q286 T292 R293R285-D289 PolarHBondContact O-N 2.83Å; Q286-D289 PolarHBondContact O-N 3.4Å; D289-T292 WeakPolarHBondContact CA-OG1 3.5Å; D289-T292 PolarHBondContact O-OG1 3.04Å; D289-R293 WeakPolarHBondContact O-CG 3.36Å; D289-R293 PolarHBondContact O-N 3.42Å; D289-R293 VanDerWaalsContact O-N 3.11Å
290E87.8Confident76.7Confident99 Ų99121.4 Ų121.446%0.46361%0.61SS.*Hα-helixtrans-64.3-46.6173.7-75.4169.5-171.200111.3Q286 T292 R293 T294Q286-E290 WeakPolarHBondContact CG-OE1 3.44Å; Q286-E290 PolarHBondContact NE2-OE1 3.44Å; Q286-E290 WeakPolarHBondContact O-CB 3.5Å; Q286-E290 WeakPolarHBondContact O-CG 3.35Å; Q286-E290 PolarHBondContact O-N 3.22Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.44Å; E290-R293 PolarHBondContact O-N 3.37Å; E290-T294 PolarHBondContact O-N 2.98Å; E290-T294 VanDerWaalsContact O-N 3.08Å; E290-T294 PolarHBondContact O-OG1 3.05Å; E290-T294 VanDerWaalsContact O-OG1 3.1Å
291N79.5Confident74.3Confident115 Ų115121.7 Ų121.762%0.61562%0.619SS**Hα-helixtrans-62.1-38.8178.2-81-15.2000112.9R287 L288 T294 A295R287-N291 WeakPolarHBondContact O-CB 3.45Å; R287-N291 PolarHBondContact O-N 2.98Å; R287-N291 VanDerWaalsContact O-N 3.11Å; L288-N291 PolarHBondContact O-N 3.33Å; N291-T294 WeakPolarHBondContact CA-OG1 3.42Å; N291-T294 PolarHBondContact O-N 3.03Å; N291-T294 PolarHBondContact O-OG1 2.99Å; N291-A295 PolarHBondContact O-N 2.94Å; N291-A295 VanDerWaalsContact O-N 3.13Å
292T79Confident71.5Confident85 Ų85124.7 Ų124.752%0.52164%0.638SS.*Hα-helixtrans-71.4-30.8177.548.30000112.7L288 D289 E290 A295L288-T292 WeakPolarHBondContact O-CG2 3.37Å; L288-T292 PolarHBondContact O-N 3.17Å; L288-T292 VanDerWaalsContact O-N 3.08Å; L288-T292 PolarHBondContact O-OG1 2.78Å; L288-T292 VanDerWaalsContact O-OG1 3.07Å; D289-T292 WeakPolarHBondContact CA-OG1 3.5Å; D289-T292 PolarHBondContact O-OG1 3.04Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.44Å; T292-A295 PolarHBondContact O-N 3.33Å
293R67.3Low69.2Low216 Ų216127.2 Ų127.282%0.81565%0.647SS**Hα-helixtrans-72.3-31.8173.1-73.7179-175.1-1562.5113.3D289 E290 A295D289-R293 WeakPolarHBondContact O-CG 3.36Å; D289-R293 PolarHBondContact O-N 3.42Å; D289-R293 VanDerWaalsContact O-N 3.11Å; E290-R293 PolarHBondContact O-N 3.37Å; R293-A295 VanDerWaalsContact C-N 3.32Å
294T61.3Low66.5Low113 Ų113127.7 Ų127.769%0.69366%0.662SS**Hα-helixtrans-77.3-17.1172.142.20000113.7E290 N291 A296E290-T294 PolarHBondContact O-N 2.98Å; E290-T294 VanDerWaalsContact O-N 3.08Å; E290-T294 PolarHBondContact O-OG1 3.05Å; E290-T294 VanDerWaalsContact O-OG1 3.1Å; N291-T294 WeakPolarHBondContact CA-OG1 3.42Å; N291-T294 PolarHBondContact O-N 3.03Å; N291-T294 PolarHBondContact O-OG1 2.99Å; T294-A296 PolarHBondContact O-N 3.27Å
295A55.2Low64Low70 Ų70127.1 Ų127.158%0.57967%0.67SS**  trans-78.955169.300000111.3N291 T292 R293N291-A295 PolarHBondContact O-N 2.94Å; N291-A295 VanDerWaalsContact O-N 3.13Å; T292-A295 PolarHBondContact O-N 3.33Å; R293-A295 VanDerWaalsContact C-N 3.32Å
296A49.5Very low61.5Low71 Ų71128.3 Ų128.359%0.58768%0.68SS**  trans-67.4147.3161.600000108.9T294 Y298T294-A296 PolarHBondContact O-N 3.27Å; A296-Y298 PolarHBondContact O-N 3.14Å
297P48.6Very low58.7Low119 Ų119128 Ų12877%0.77369%0.69SS**  trans-66.8125.3-155.528.5-33000109.7R299P297-R299 VanDerWaalsContact C-N 3.33Å; P297-R299 PolarHBondContact O-N 3.48Å
298Y48.5Very low56.4Low216 Ų216129.3 Ų129.385%0.84771%0.705SS**  trans-50109156.6-65.8-84.8000106.1A296 T300A296-Y298 PolarHBondContact O-N 3.14Å; Y298-T300 PolarHBondContact O-N 2.91Å
299R43.1Very low54.3Low230 Ų230128.6 Ų128.687%0.86871%0.707SS**  trans-47.6109.5169.1-89.6-172.9169.2-175.6-2106.1P297 T301P297-R299 VanDerWaalsContact C-N 3.33Å; P297-R299 PolarHBondContact O-N 3.48Å; R299-T301 PolarHBondContact O-N 3.17Å
300T44.1Very low52.1Low135 Ų135130 Ų13083%0.82872%0.721SS**  trans-61.490.7160.6-33.50000105.2Y298 T302Y298-T300 PolarHBondContact O-N 2.91Å; T300-T302 PolarHBondContact O-N 3.33Å
301T47Very low50.3Low109 Ų109132.7 Ų132.767%0.66974%0.737SS**  trans-57.7110.5164.734.80000106.2R299 I303R299-T301 PolarHBondContact O-N 3.17Å; T301-I303 VanDerWaalsContact C-N 3.32Å; T301-I303 PolarHBondContact O-N 2.78Å
302T37.8Very low48.2Very low133 Ų133133.6 Ų133.682%0.81675%0.746SS**  trans-49.695.3164.9-50.30000108.6T300 A304T300-T302 PolarHBondContact O-N 3.33Å; T302-A304 VanDerWaalsContact C-N 3.3Å; T302-A304 PolarHBondContact O-N 3.38Å
303I48Very low46.2Very low147 Ų147134.8 Ų134.875%0.75476%0.758SS**  trans-83.889.8161.7-53.6178.1000105.3T301 A305T301-I303 VanDerWaalsContact C-N 3.32Å; T301-I303 PolarHBondContact O-N 2.78Å; I303-A305 VanDerWaalsContact C-N 3.34Å; I303-A305 HydrophobicContact CG2-CB 4.05Å; I303-A305 PolarHBondContact O-N 3.33Å
304A39.9Very low44.7Very low96 Ų96129.7 Ų129.779%0.79376%0.756SS**  trans-64.897.5159.800000107.8T302T302-A304 VanDerWaalsContact C-N 3.3Å; T302-A304 PolarHBondContact O-N 3.38Å
305A43.6Very low43.7Very low78 Ų78129.5 Ų129.565%0.64576%0.759SS**  trans-144.198.1166.400000110.1I303I303-A305 VanDerWaalsContact C-N 3.34Å; I303-A305 HydrophobicContact CG2-CB 4.05Å; I303-A305 PolarHBondContact O-N 3.33Å
306K41.5Very low43Very low197 Ų197132.2 Ų132.286%0.85777%0.769SS**  trans25117.5140.6-98.5168.9170.3174.90118.4
307S37Very low42.2Very low101 Ų101134.3 Ų134.371%0.70678%0.779SS**  trans52.1115.7137.772.30000119.1
308M42.7Very low41.8Very low179 Ų179133.1 Ų133.188%0.88278%0.779SS**  -169.5146.2127.3-95.1-91.7141.600109.3
309P48.7Very low41.4Very low98 Ų98129.6 Ų129.664%0.63678%0.78SS**PPolyproline II helixtrans-84.7169.1-165.936.5-34.5000112.8I311P309-I311 PolarHBondContact O-N 3.38Å
310P44.8Very low40.9Very low123 Ų123126.4 Ų126.480%0.79978%0.78SS**PPolyproline II helixtrans-79121.7-167.531.7-31.1000110.8
311I48.5Very low40.5Very low156 Ų156126 Ų12680%0.878%0.778SS**PPolyproline II helixtrans-86.2116.5164.7-64.9177000107.9P309P309-I311 PolarHBondContact O-N 3.38Å
312V35.4Very low39.8Very low133 Ų133128.9 Ų128.981%0.80679%0.788SS**PPolyproline II helixtrans-62.3124.6167.9-156.20000108.1
313S38.7Very low40.2Very low110 Ų110129.5 Ų129.577%0.76979%0.785SS**  trans-146.499.9162.2-73.30000109.1
314S35.2Very low39.5Very low109 Ų109129.7 Ų129.776%0.76279%0.787SS**  trans-63.5132.3163.642.90000111.5
315S40.7Very low39.3Very low109 Ų109132.9 Ų132.976%0.76279%0.789SS**  trans-176.6121.3131.735.90000113.2
316T38.8Very low39Very low128 Ų128132.5 Ų132.579%0.78579%0.793SS**  trans63.3105.7139.150.30000122
317S34.5Very low38.6Very low114 Ų114129.3 Ų129.380%0.79779%0.79SS**  61.5100.112471.30000119.3
318A38.6Very low39Very low94 Ų94132.3 Ų132.378%0.77780%0.797SS**  trans-145.810514000000109.4
319T39.8Very low38.9Very low143 Ų143128.2 Ų128.288%0.87779%0.792SS**  trans12.4117.4151.914.50000120V321T319-V321 PolarHBondContact O-N 3.45Å
320N33.3Very low38.4Very low162 Ų162127.1 Ų127.187%0.86680%0.798SS**  trans-39.4119.6157.5-70.8-42.7000114.5
321V35.3Very low37.8Very low128 Ų128130.7 Ų130.778%0.77680%0.804SS**  trans-149.588.8135.2-175.60000107.6T319 I323T319-V321 PolarHBondContact O-N 3.45Å; V321-I323 HydrophobicContact CG1-CG1 4.27Å
322L33.8Very low37.4Very low168 Ų168129 Ų12988%0.8881%0.806SS**  trans-113.3104.7161-149.287.9000106.7
323I44.7Very low37.6Very low147 Ų147128.1 Ų128.175%0.75480%0.801SS**  trans-78.5121170-67.9173.6000107.1V321 I325V321-I323 HydrophobicContact CG1-CG1 4.27Å; I323-I325 PolarHBondContact O-N 3.22Å
324N33.4Very low37.7Very low150 Ų150130.5 Ų130.580%0.80281%0.805SS**  trans-45.6126.1175.4-102.3-13.2000113.1
325I36.9Very low37.7Very low163 Ų163129 Ų12984%0.83681%0.807SS**  trans-86109.6157.8-64.8172.9000106.8I323 T327I323-I325 PolarHBondContact O-N 3.22Å; I325-T327 PolarHBondContact O-N 2.99Å
326G36.5Very low37.5Very low71 Ų71130.8 Ų130.873%0.73281%0.813SS**  trans-78.8113.6171.700000111
327T33.1Very low37.6Very low129 Ų129129.1 Ų129.179%0.79181%0.812SS**  trans-54122.7166.3-48.40000111.7I325I325-T327 PolarHBondContact O-N 2.99Å
328I46.1Very low37.4Very low165 Ų165128.4 Ų128.485%0.84681%0.807SS**  trans-126.3108.7150.6-61.3174.8000107.1
329A39.1Very low37.4Very low93 Ų93129.6 Ų129.677%0.76981%0.805SS**  trans-68.4124.516700000109.2
330G38.6Very low37.2Very low75 Ų75128.6 Ų128.677%0.77380%0.799SS**  trans-134104.316800000108.3
331Q33.5Very low37.5Very low197 Ų197128 Ų12892%0.92179%0.794SS**  trans-63130.6170.9-65.3169.23.100109.8
332S39.8Very low37.6Very low121 Ų121126.6 Ų126.685%0.84679%0.787SS**  trans-166.3142.7141-166.10000110.2
333T40Very low37.5Very low114 Ų114124.7 Ų124.770%0.69978%0.782SS**  trans-100.5161.1-161.446.10000112.7
334N39.1Very low37.3Very low161 Ų161125.6 Ų125.686%0.86179%0.787SS**  trans72.8123.1153.6-58.9-24.2000119.2
335G36.3Very low37.1Very low78 Ų78126.7 Ų126.780%0.80479%0.787SS**  trans167.574.616500000114.2
336V35.2Very low37.4Very low146 Ų146124.1 Ų124.189%0.88578%0.784SS**  trans-61.9126.5172.5173.40000111
337A41.3Very low37.4Very low93 Ų93128.5 Ų128.577%0.76979%0.79SS**  trans-152.396152.200000109.8
338S31.7Very low37.7Very low99 Ų99129.6 Ų129.669%0.69279%0.79SS**  trans-73128.2166.6-171.40000108.5
339T38.8Very low37.7Very low119 Ų119127 Ų12773%0.7378%0.784SS**  trans-130.8103161.8-53.30000108.1I341T339-I341 HydrophobicContact CG2-CG1 4.25Å
340V34Very low37.5Very low122 Ų122129.9 Ų129.974%0.73979%0.785SS**  trans-78.9122.4169.6174.50000107.4
341I40.6Very low37.6Very low150 Ų150132.6 Ų132.677%0.76979%0.786SS**  trans-125.5121.3161.5-58.8179.6000107T339T339-I341 HydrophobicContact CG2-CG1 4.25Å
342P37.6Very low37.6Very low98 Ų98132.2 Ų132.264%0.63678%0.784SS**  trans-88.8136179.533.5-30.1000112.3
343V31.9Very low37.5Very low128 Ų128131.6 Ų131.678%0.77678%0.78SS**  trans32.4108.3133.3-172.80000117.2
344I38.7Very low37.4Very low166 Ų166131.1 Ų131.185%0.85178%0.782SS**  trans-122.3121147.3-63.1179.1000108.1
345Q31.2Very low37Very low173 Ų173132.4 Ų132.481%0.80879%0.785SS**  trans-66.4136.9172.1-68.2163.8-43.400110.7
346S43.1Very low37.7Very low108 Ų108134.4 Ų134.476%0.75578%0.783SS**  trans-171.7110.6138.835.20000113.1
347N35.8Very low37.8Very low163 Ų163136.8 Ų136.887%0.87279%0.787SS**  trans19.5109.9144.3-61.5-9.4000120
348I38.4Very low37.6Very low152 Ų152135.6 Ų135.678%0.77978%0.784SS**  trans-98124.5157.1-58.5168.5000108.2
349P46.2Very low37.8Very low111 Ų111140 Ų14072%0.72179%0.794SS**  trans-84.3119.9156.429.2-23.7000109.7T351P349-T351 PolarHBondContact O-N 2.7Å
350I36Very low37.5Very low154 Ų154142.2 Ų142.279%0.7980%0.8SS**  trans-72.3108.3169.1-62.9167.4000107.4
351T41.2Very low38.1Very low131 Ų131142.3 Ų142.380%0.80480%0.803SS**  trans-103.6111.1161.145.70000109.6P349P349-T351 PolarHBondContact O-N 2.7Å
352Q32.1Very low38.1Very low189 Ų189144.7 Ų144.788%0.88381%0.808SS**  trans-57.8128.8162.1-66.2172.4-18.800109.3
353S38.5Very low37.9Very low109 Ų109151.2 Ų151.276%0.76282%0.82SS**  trans-155.8107.2156.9176.30000110.1
354S38.7Very low38Very low104 Ų104150.1 Ų150.173%0.72783%0.825SS**  trans-21134.5163.849.80000117.8
355M29.6Very low37.7Very low187 Ų187147.3 Ų147.392%0.92182%0.815SS**  trans-67.9143.4153.6-63.9-159.5-167.300110.7
356P51.6Low37.7Very low120 Ų120145.9 Ų145.978%0.77981%0.812SS**  trans-105.7119.7145.831-20.8000109.9G358P356-G358 PolarHBondContact O-N 3.05Å
357M36.7Very low37.2Very low197 Ų197147.7 Ų147.797%0.9781%0.812SS**  trans-46.1122.5156-85.2-104.5-69.200110.1
358G36.9Very low37.2Very low68 Ų68146.2 Ų146.270%0.70180%0.803SS**  trans-15590.8-176.700000113.8P356P356-G358 PolarHBondContact O-N 3.05Å
359Q37.2Very low37.5Very low191 Ų191144.5 Ų144.589%0.89380%0.802SS**  trans62.7105.2147.2-69.3179.27.400120.4
360L31.6Very low36.9Very low166 Ų166147 Ų14787%0.86981%0.809SS**PPolyproline II helixtrans-51.3133.1147.4-74.2128.3000111.9
361P46.7Very low36.6Very low123 Ų123144.3 Ų144.380%0.79981%0.81SS**PPolyproline II helixtrans-83.4133150.922.9-12000110
362K40.9Very low36.4Very low201 Ų201143.2 Ų143.287%0.87481%0.808SS**PPolyproline II helixtrans-60.1145.9-174-65.5160.9178.3173.50111.8A364K362-A364 PolarHBondContact O-N 3.24Å
363R32.4Very low36.8Very low234 Ų234140 Ų14088%0.88380%0.803SS**  trans-36.3119.1163.2-74.1173.2154.5173.3-7.3111.7V365R363-V365 HydrophobicContact CB-CG2 4.17Å; R363-V365 PolarHBondContact O-N 3.22Å
364A34.2Very low36.9Very low106 Ų106139.7 Ų139.788%0.87681%0.807SS**  trans-82.798.6152.900000107.2K362 L366K362-A364 PolarHBondContact O-N 3.24Å; A364-L366 PolarHBondContact O-N 3.23Å
365V33Very low36.7Very low106 Ų106142.9 Ų142.964%0.64282%0.816SS**  trans-83.1105.4165.6-179.70000106.2R363 I367R363-V365 HydrophobicContact CB-CG2 4.17Å; R363-V365 PolarHBondContact O-N 3.22Å; V365-I367 HydrophobicContact CG1-CG1 3.71Å; V365-I367 PolarHBondContact O-N 3.5Å
366L30.6Very low37.1Very low144 Ų144137.2 Ų137.275%0.75481%0.805SS**  trans-77.598.6164.6-16978.8000107.2A364 L368A364-L366 PolarHBondContact O-N 3.23Å; L366-L368 HydrophobicContact CD2-CD1 4.01Å; L366-L368 HydrophobicContact CD2-CD2 4.45Å; L366-L368 HydrophobicContact CD2-CG 3.99Å; L366-L368 HydrophobicContact CG-CG 4.31Å; L366-L368 PolarHBondContact O-N 3.47Å
367I33Very low36.3Very low145 Ų145141 Ų14174%0.74481%0.813SS**  trans-77.199.4167.5-57.6179.4000106.5V365V365-I367 HydrophobicContact CG1-CG1 3.71Å; V365-I367 PolarHBondContact O-N 3.5Å
368L36.3Very low36.1Very low133 Ų133135.1 Ų135.170%0.69680%0.802SS**  trans-80.4122.7162.5-76.7156.4000107.6L366 N370L366-L368 HydrophobicContact CD2-CD1 4.01Å; L366-L368 HydrophobicContact CD2-CD2 4.45Å; L366-L368 HydrophobicContact CD2-CG 3.99Å; L366-L368 HydrophobicContact CG-CG 4.31Å; L366-L368 PolarHBondContact O-N 3.47Å; L368-N370 PolarHBondContact O-N 3.32Å; L368-N370 VanDerWaalsContact O-N 3.12Å
369P44.2Very low36.1Very low115 Ų115138 Ų13875%0.74781%0.806SS**  trans-65.9115.6168.825.5-29.4000108.4A371P369-A371 PolarHBondContact O-N 3.5Å
370N33.4Very low36Very low165 Ų165134.5 Ų134.588%0.88280%0.802SS**  trans-62.6110.2167.3-150.914.7000107.4L368L368-N370 PolarHBondContact O-N 3.32Å; L368-N370 VanDerWaalsContact O-N 3.12Å
371A30.6Very low36.2Very low97 Ų97131.7 Ų131.780%0.80280%0.797SS**  trans-135.296.3168.200000108.2P369P369-A371 PolarHBondContact O-N 3.5Å
372S36.6Very low35.7Very low108 Ų108134.3 Ų134.376%0.75580%0.798SS**  trans-132.3158.7163.9-135.40000106.8
373P40.3Very low35.7Very low122 Ų122129.1 Ų129.179%0.79279%0.785SS**  -112.3155.5-111.514.48.1000111.1
374A40Very low35.8Very low102 Ų102124.4 Ų124.484%0.84378%0.782SS**  trans-121.3114.8168.100000109.8
375N35.8Very low35.9Very low171 Ų171125.3 Ų125.391%0.91478%0.777SS**  trans-52152.9154.7-72.9-33.2000111.2
376G37.6Very low36Very low67 Ų67125.8 Ų125.869%0.69178%0.78SS**  trans147.779.2174.100000108.1
377E34.8Very low36.3Very low201 Ų201127.5 Ų127.594%0.93978%0.784SS**  42.5120.891.2-73.4-164.915200114.3
378G32.4Very low36.8Very low73 Ų73126.6 Ų126.675%0.75379%0.785SS**  trans9498.5153.700000115.9
379V37.1Very low36.7Very low129 Ų129127.1 Ų127.178%0.78279%0.788SS**  156.6108.3104.4172.50000107.8S381V379-S381 PolarHBondContact O-N 2.95Å
380S33.4Very low36.6Very low116 Ų116131.1 Ų131.181%0.81179%0.794SS**  trans-65.2122.3166.2156.90000109.5
381S36.9Very low36.7Very low107 Ų107130.7 Ų130.775%0.74879%0.791SS**  trans-137.2100.1164-56.20000108.8V379V379-S381 PolarHBondContact O-N 2.95Å
382Q35.2Very low37.7Very low178 Ų178136.3 Ų136.383%0.83282%0.815SS**  trans-82.9171154.7-88.8-157.6-2.700109.1
383P42Very low37.8Very low92 Ų92137.7 Ų137.760%0.59782%0.818SS**  cis-136.5163.5-29.832.6-14.7000112.5
384V33.7Very low37.6Very low136 Ų136138.5 Ų138.582%0.82482%0.82SS**  trans-132.194154.6-178.30000107.8
385T36.3Very low37.5Very low124 Ų124140.6 Ų140.676%0.76182%0.818SS**  trans-99.8103.4164.126.50000108.3H387T385-H387 PolarHBondContact O-N 3.47Å
386T36.6Very low37.6Very low116 Ų116138.8 Ų138.871%0.71281%0.813SS**  trans-75.8105166.7-37.50000107.9V388T386-V388 PolarHBondContact O-N 3.41Å
387H35.7Very low37.6Very low180 Ų180143.3 Ų143.383%0.83382%0.82SS**PPolyproline II helixtrans-74.4117.3163.7-102.9-78.3000108.6T385T385-H387 PolarHBondContact O-N 3.47Å
388V44.9Very low37.8Very low126 Ų126139.4 Ų139.476%0.76481%0.812SS**PPolyproline II helixtrans-101124.7164.9-1800000107.7T386T386-V388 PolarHBondContact O-N 3.41Å
389N32.6Very low38.2Very low144 Ų144144.1 Ų144.177%0.7782%0.817SS**PPolyproline II helixtrans-63.6142.2175.4-74.2-32.4000112.4
390K42.2Very low38.3Very low200 Ų200145.3 Ų145.387%0.8782%0.819SS**  trans-144.699.5145.8-123.4178.3178.2-1770105.4
391L36.7Very low38.7Very low156 Ų156147.8 Ų147.882%0.81782%0.82SS**  43.983.186.3-90.4148.5000112.2
392T51.2Low38.8Very low214 Ų214151.5 Ų151.5100%1.31383%0.827SS**  -173.10112.330.30000109.6

Retrieved 392 of 392 residues in 177.6 ms (Link to these results)