A0A077ZH59_TRITR Loading...

Large ribosomal subunit protein uL11

AlphaFold DB , UniProt , Accession A0A077ZH59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 412 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
1M51.9Low49.5Very low239 Ų239110.1 Ų110.1100%1.17768%0.675SS**  0-1.50-93.7174.4160.100114.1
2S50.2Low50.8Low101 Ų101117.5 Ų117.571%0.70668%0.681SS**  trans-98.7-13.4-17724.90000115.6T5S2-T5 PolarHBondContact O-OG1 3.41Å; S2-T5 VanDerWaalsContact O-OG1 3.09Å
3A50.9Low52.5Low82 Ų82112 Ų11268%0.67867%0.665SS**THydrogen-bonded Turntrans-79.8-17.6-177.500000115.1
4N48.3Very low54Low137 Ų137110.8 Ų110.873%0.73365%0.653SS**Hα-helixtrans-82.7-14.3-178.6-86.2-2.9000114
5T51.3Low55.3Low96 Ų96107.3 Ų107.359%0.58963%0.628SS**Hα-helixtrans-79.2-31.2-177.210000112.6S2S2-T5 PolarHBondContact O-OG1 3.41Å; S2-T5 VanDerWaalsContact O-OG1 3.09Å
6E44.3Very low56.8Low168 Ų168104.1 Ų104.179%0.78562%0.618SS**Hα-helixtrans-79-32179.9-71.7-177.5158.700112.7Q8 G9E6-Q8 VanDerWaalsContact C-N 3.28Å; E6-Q8 PolarHBondContact O-N 3Å; E6-G9 PolarHBondContact O-N 3.17Å
7A48.4Very low58.3Low72 Ų72104.2 Ų104.260%0.59561%0.612SS**Hα-helixtrans-68.6-25.7175.500000113.1
8Q46.4Very low59.7Low139 Ų139102.2 Ų102.265%0.6559%0.594SS**Hα-helixtrans-75.1-24.5-179.6-124.7-179.6-11.800113.3E6E6-Q8 VanDerWaalsContact C-N 3.28Å; E6-Q8 PolarHBondContact O-N 3Å
9G47Very low60.8Low51 Ų51102.7 Ų102.753%0.52659%0.586SS.*Hα-helixtrans-71.8-40.5179.300000113.2E6E6-G9 PolarHBondContact O-N 3.17Å
10S45.8Very low62.1Low94 Ų94102.6 Ų102.666%0.65759%0.586SS**Hα-helixtrans-68.1-36.8179.2-179.90000112.5
11G60.6Low63.3Low32 Ų32100.6 Ų100.633%0.3358%0.576SS.*Hα-helixtrans-68.7-35.5-179.700000114.6G13 L14 E15G11-G13 PolarHBondContact O-N 2.97Å; G11-L14 PolarHBondContact O-N 2.83Å; G11-E15 WeakPolarHBondContact O-CG 3.25Å; G11-E15 PolarHBondContact O-N 2.99Å
12R64.3Low64.8Low199 Ų19989.7 Ų89.775%0.75152%0.523SS*.Hα-helixtrans-66-37.8-179.5-75.2179.588.9157.13.1112.5E15 A16R12-E15 PolarHBondContact O-N 2.87Å; R12-A16 WeakPolarHBondContact O-CB 3.36Å; R12-A16 PolarHBondContact O-N 2.95Å
13G73.2Confident66.6Low46 Ų4688.5 Ų88.547%0.47451%0.511SS..Hα-helixtrans-63.7-43.3175.800000111.9G11 E15 A16 M17G11-G13 PolarHBondContact O-N 2.97Å; G13-E15 PolarHBondContact O-N 3.46Å; G13-A16 PolarHBondContact O-N 3.04Å; G13-M17 WeakPolarHBondContact O-CB 3.45Å; G13-M17 PolarHBondContact O-N 3.17Å
14L74.2Confident68.4Low95 Ų9586.8 Ų86.850%0.49750%0.497SS..Hα-helixtrans-67.1-36.8178.9-144100.5000112.5G11 M17 K18G11-L14 PolarHBondContact O-N 2.83Å; L14-M17 HydrophobicContact CD1-CE 3.88Å; L14-M17 HydrophobicContact CG-CE 3.99Å; L14-K18 WeakPolarHBondContact O-CG 3.33Å; L14-K18 PolarHBondContact O-N 2.66Å; L14-K18 VanDerWaalsContact O-N 3.12Å
15E72.9Confident70.4Confident59 Ų5982.1 Ų82.128%0.27647%0.472SS..Hα-helixtrans-70.7-41.8175.1-74.9-169.3-172.100113.2G11 R12 G13 M17 K18 W19 T62 T63G11-E15 WeakPolarHBondContact O-CG 3.25Å; G11-E15 PolarHBondContact O-N 2.99Å; R12-E15 PolarHBondContact O-N 2.87Å; G13-E15 PolarHBondContact O-N 3.46Å; E15-M17 VanDerWaalsContact C-N 3.28Å; E15-M17 PolarHBondContact O-N 3.13Å; E15-K18 PolarHBondContact O-N 3.37Å; E15-W19 PolarHBondContact O-N 3.5Å; E15-W19 VanDerWaalsContact O-N 3.12Å; E15-T62 HydrophobicContact CG-CG2 4.48Å; E15-T63 VanDerWaalsContact OE1-CB 3.26Å; E15-T63 WeakPolarHBondContact OE1-CB 3.47Å; E15-T63 WeakPolarHBondContact OE1-CG2 3.3Å; E15-T63 PolarHBondContact OE1-OG1 3.32Å; E15-T63 PolarHBondContact OE2-OG1 3.44Å; E15-T63 VanDerWaalsContact OE2-OG1 3.11Å
16A79.5Confident72Confident56 Ų5681 Ų8146%0.46346%0.462SS..Hα-helixtrans-59.6-43.4174.300000110.5R12 G13 K18 W19 V20R12-A16 WeakPolarHBondContact O-CB 3.36Å; R12-A16 PolarHBondContact O-N 2.95Å; G13-A16 PolarHBondContact O-N 3.04Å; A16-K18 PolarHBondContact O-N 3.48Å; A16-W19 PolarHBondContact O-N 2.62Å; A16-V20 WeakPolarHBondContact O-CG2 3.27Å; A16-V20 PolarHBondContact O-N 3.32Å
17M82.5Confident74.2Confident106 Ų10677.6 Ų77.652%0.52245%0.449SS..Hα-helixtrans-61-42176.2-177.6172.944.200112.5G13 L14 E15 W19 V20 V21G13-M17 WeakPolarHBondContact O-CB 3.45Å; G13-M17 PolarHBondContact O-N 3.17Å; L14-M17 HydrophobicContact CD1-CE 3.88Å; L14-M17 HydrophobicContact CG-CE 3.99Å; E15-M17 VanDerWaalsContact C-N 3.28Å; E15-M17 PolarHBondContact O-N 3.13Å; M17-W19 VanDerWaalsContact C-N 3.34Å; M17-W19 PolarHBondContact O-N 2.83Å; M17-V20 PolarHBondContact O-N 3.05Å; M17-V21 WeakPolarHBondContact O-CG2 3.13Å; M17-V21 PolarHBondContact O-N 2.92Å
18K82.3Confident76Confident67 Ų6778.1 Ų78.129%0.29144%0.444SS..Hα-helixtrans-60.8-41.8174.9-73.6174.5180-178.90112.2L14 E15 A16 V21 V22 V58 L61L14-K18 WeakPolarHBondContact O-CG 3.33Å; L14-K18 PolarHBondContact O-N 2.66Å; L14-K18 VanDerWaalsContact O-N 3.12Å; E15-K18 PolarHBondContact O-N 3.37Å; A16-K18 PolarHBondContact O-N 3.48Å; K18-V21 PolarHBondContact O-N 2.78Å; K18-V22 WeakPolarHBondContact O-CG2 3.27Å; K18-V22 PolarHBondContact O-N 2.81Å; K18-V58 HydrophobicContact CB-CG1 4.41Å; K18-L61 PolarHBondContact NZ-O 2.97Å
19W81.6Confident77.8Confident113 Ų11371.7 Ų71.743%0.42842%0.415SS..Hα-helixtrans-66.6-38.4175.6-85.2101.6000112.8E15 A16 M17 V21 V22 V23E15-W19 PolarHBondContact O-N 3.5Å; E15-W19 VanDerWaalsContact O-N 3.12Å; A16-W19 PolarHBondContact O-N 2.62Å; M17-W19 VanDerWaalsContact C-N 3.34Å; M17-W19 PolarHBondContact O-N 2.83Å; W19-V21 VanDerWaalsContact C-N 3.3Å; W19-V21 PolarHBondContact O-N 2.85Å; W19-V22 PolarHBondContact O-N 2.81Å; W19-V23 WeakPolarHBondContact O-CG2 3.39Å; W19-V23 PolarHBondContact O-N 2.88Å
20V86.8Confident79.6Confident99 Ų9974.7 Ų74.760%0.642%0.418SS*.Hα-helixtrans-60.4-42.2173.1171.80000110.6A16 M17 V23 A24A16-V20 WeakPolarHBondContact O-CG2 3.27Å; A16-V20 PolarHBondContact O-N 3.32Å; M17-V20 PolarHBondContact O-N 3.05Å; V20-V23 PolarHBondContact O-N 3.32Å; V20-A24 VanDerWaalsContact O-CB 3.27Å; V20-A24 WeakPolarHBondContact O-CB 3.4Å; V20-A24 PolarHBondContact O-N 3.25Å
21V87.1Confident81.5Confident62 Ų6273.8 Ų73.838%0.37641%0.408SS..Hα-helixtrans-62.7-42.5175.1172.90000111.8M17 K18 W19 A24 L25 V58M17-V21 WeakPolarHBondContact O-CG2 3.13Å; M17-V21 PolarHBondContact O-N 2.92Å; K18-V21 PolarHBondContact O-N 2.78Å; W19-V21 VanDerWaalsContact C-N 3.3Å; W19-V21 PolarHBondContact O-N 2.85Å; V21-A24 PolarHBondContact O-N 2.7Å; V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 HydrophobicContact CG1-CG 4.42Å; V21-L25 WeakPolarHBondContact O-CB 3.08Å; V21-L25 WeakPolarHBondContact O-CG 3.24Å; V21-L25 PolarHBondContact O-N 3.44Å; V21-V58 HydrophobicContact CG1-CG1 4.28Å; V21-V58 HydrophobicContact CG1-CG2 4.49Å
22V84Confident82.4Confident9 Ų973.1 Ų73.16%0.05540%0.401CS..Hα-helixtrans-61-47.6176.4172.50000111.2K18 W19 A24 L25 L26 A55 V58 A59K18-V22 WeakPolarHBondContact O-CG2 3.27Å; K18-V22 PolarHBondContact O-N 2.81Å; W19-V22 PolarHBondContact O-N 2.81Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.31Å; V22-L25 PolarHBondContact O-N 2.9Å; V22-L26 HydrophobicContact CG1-CD1 4.28Å; V22-L26 WeakPolarHBondContact O-CG 3.5Å; V22-L26 PolarHBondContact O-N 3.4Å; V22-A55 HydrophobicContact CG1-CB 4.34Å; V22-V58 HydrophobicContact CG2-CB 3.87Å; V22-V58 HydrophobicContact CG2-CG1 3.69Å; V22-A59 HydrophobicContact CG2-CB 4.16Å
23V87.3Confident83.2Confident77 Ų7766.6 Ų66.647%0.46738%0.381SS..Hα-helixtrans-63.6-41.9178.1173.30000110.8W19 V20 L26 L27W19-V23 WeakPolarHBondContact O-CG2 3.39Å; W19-V23 PolarHBondContact O-N 2.88Å; V20-V23 PolarHBondContact O-N 3.32Å; V23-L26 PolarHBondContact O-N 3.34Å; V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 HydrophobicContact CG1-CG 4.36Å; V23-L27 WeakPolarHBondContact O-CB 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.27Å; V23-L27 PolarHBondContact O-N 2.94Å
24A89.3Confident83.5Confident45 Ų4572.9 Ų72.937%0.37239%0.392SS..Hα-helixtrans-61.5-45.5176.400000111.8V20 V21 V22 L26 L27 V28V20-A24 VanDerWaalsContact O-CB 3.27Å; V20-A24 WeakPolarHBondContact O-CB 3.4Å; V20-A24 PolarHBondContact O-N 3.25Å; V21-A24 PolarHBondContact O-N 2.7Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.31Å; A24-L26 PolarHBondContact O-N 3.2Å; A24-L27 PolarHBondContact O-N 2.91Å; A24-V28 WeakPolarHBondContact O-CB 3.28Å; A24-V28 VanDerWaalsContact O-CG2 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.38Å; A24-V28 PolarHBondContact O-N 3.17Å
25L88.7Confident83.7Confident40 Ų4074.1 Ų74.121%0.20940%0.399CS..Hα-helixtrans-62.2-40.8177.4-75.3171.4000112.3V21 V22 V28 A29 L51 A54 A55 V58V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 HydrophobicContact CG1-CG 4.42Å; V21-L25 WeakPolarHBondContact O-CB 3.08Å; V21-L25 WeakPolarHBondContact O-CG 3.24Å; V21-L25 PolarHBondContact O-N 3.44Å; V22-L25 PolarHBondContact O-N 2.9Å; L25-V28 PolarHBondContact O-N 2.9Å; L25-A29 WeakPolarHBondContact O-CB 3.3Å; L25-A29 PolarHBondContact O-N 2.95Å; L25-L51 HydrophobicContact CD2-CD2 3.73Å; L25-A54 HydrophobicContact CD1-CB 4.25Å; L25-A55 HydrophobicContact CB-CB 3.97Å; L25-A55 HydrophobicContact CD1-CB 4.32Å; L25-V58 HydrophobicContact CD1-CG2 4.42Å
26L86.8Confident83.9Confident73 Ų7378.1 Ų78.138%0.38241%0.412SS..Hα-helixtrans-67.2-41.2176.1-71.2174.6000112.1V22 V23 A24 A29 I30 I52 A55V22-L26 HydrophobicContact CG1-CD1 4.28Å; V22-L26 WeakPolarHBondContact O-CG 3.5Å; V22-L26 PolarHBondContact O-N 3.4Å; V23-L26 PolarHBondContact O-N 3.34Å; A24-L26 PolarHBondContact O-N 3.2Å; L26-A29 WeakPolarHBondContact O-CB 3.43Å; L26-A29 PolarHBondContact O-N 3.02Å; L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.42Å; L26-I30 PolarHBondContact O-N 3.38Å; L26-I52 HydrophobicContact CD2-CG1 4.38Å; L26-A55 HydrophobicContact CD2-CB 4.13Å; L26-A55 HydrophobicContact CG-CB 4.13Å
27L88.7Confident83.4Confident96 Ų9684.1 Ų84.150%0.50342%0.423SS..Hα-helixtrans-63.1-43.2174.5-74.4173.5000111.2V23 A24 A29 I30 V31V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 HydrophobicContact CG1-CG 4.36Å; V23-L27 WeakPolarHBondContact O-CB 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.27Å; V23-L27 PolarHBondContact O-N 2.94Å; A24-L27 PolarHBondContact O-N 2.91Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.03Å; L27-I30 PolarHBondContact O-N 3.32Å; L27-V31 VanDerWaalsContact O-CB 3.25Å; L27-V31 WeakPolarHBondContact O-CB 3.34Å; L27-V31 VanDerWaalsContact O-CG2 3.23Å; L27-V31 WeakPolarHBondContact O-CG2 3.22Å; L27-V31 PolarHBondContact O-N 2.99Å
28V87.5Confident82.9Confident82 Ų8286.9 Ų86.950%0.49744%0.439SS..Hα-helixtrans-62-37.9174.6172.40000111.1A24 L25 G32 L51A24-V28 WeakPolarHBondContact O-CB 3.28Å; A24-V28 VanDerWaalsContact O-CG2 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.38Å; A24-V28 PolarHBondContact O-N 3.17Å; L25-V28 PolarHBondContact O-N 2.9Å; V28-G32 WeakPolarHBondContact O-CA 3.42Å; V28-G32 PolarHBondContact O-N 2.93Å; V28-L51 HydrophobicContact CG1-CD1 3.9Å
29A84Confident82.5Confident5 Ų587.1 Ų87.14%0.04144%0.443CS..Hα-helixtrans-63.8-44.1174.900000112L25 L26 L27 N33 L51L25-A29 WeakPolarHBondContact O-CB 3.3Å; L25-A29 PolarHBondContact O-N 2.95Å; L26-A29 WeakPolarHBondContact O-CB 3.43Å; L26-A29 PolarHBondContact O-N 3.02Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.03Å; A29-N33 WeakPolarHBondContact O-CB 3.45Å; A29-N33 PolarHBondContact O-N 2.89Å; A29-L51 HydrophobicContact CB-CB 3.91Å; A29-L51 HydrophobicContact CB-CD1 4.08Å
30I84.7Confident82.3Confident113 Ų11389 Ų8958%0.57946%0.459SS*.Hα-helixtrans-68.7-48.3179.6-65.5164.6000111.2L26 L27 N33 Y34L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.42Å; L26-I30 PolarHBondContact O-N 3.38Å; L27-I30 PolarHBondContact O-N 3.32Å; I30-N33 WeakPolarHBondContact O-CB 3.43Å; I30-N33 PolarHBondContact O-N 2.7Å; I30-Y34 PolarHBondContact O-N 2.93Å
31V85.5Confident81.8Confident76 Ų7691.2 Ų91.246%0.46147%0.467SS..Hα-helixtrans-69.7-43.5-177.6172.70000110.5L27 N33 Y34 L35L27-V31 VanDerWaalsContact O-CB 3.25Å; L27-V31 WeakPolarHBondContact O-CB 3.34Å; L27-V31 VanDerWaalsContact O-CG2 3.23Å; L27-V31 WeakPolarHBondContact O-CG2 3.22Å; L27-V31 PolarHBondContact O-N 2.99Å; V31-N33 VanDerWaalsContact C-N 3.28Å; V31-N33 PolarHBondContact O-N 2.93Å; V31-Y34 PolarHBondContact O-N 3.47Å; V31-L35 HydrophobicContact CG1-CD1 3.38Å; V31-L35 PolarHBondContact O-N 2.97Å
32G79.7Confident81.5Confident18 Ų1892.8 Ų92.819%0.18648%0.478CS..Hα-helixtrans-60.2-38.7173.500000112.1V28 Y34 L35 Y36V28-G32 WeakPolarHBondContact O-CA 3.42Å; V28-G32 PolarHBondContact O-N 2.93Å; G32-Y34 PolarHBondContact O-N 2.88Å; G32-L35 PolarHBondContact O-N 2.93Å; G32-Y36 WeakPolarHBondContact O-CB 3.34Å; G32-Y36 VanDerWaalsContact O-CD2 3.22Å; G32-Y36 WeakPolarHBondContact O-CD2 3.5Å; G32-Y36 PolarHBondContact O-N 2.76Å
33N80.5Confident81.4Confident61 Ų6197.8 Ų97.833%0.32650%0.504SS..Hα-helixtrans-62.4-31.2173.2-172.266000112.3A29 I30 V31 R44 V48A29-N33 WeakPolarHBondContact O-CB 3.45Å; A29-N33 PolarHBondContact O-N 2.89Å; I30-N33 WeakPolarHBondContact O-CB 3.43Å; I30-N33 PolarHBondContact O-N 2.7Å; V31-N33 VanDerWaalsContact C-N 3.28Å; V31-N33 PolarHBondContact O-N 2.93Å; N33-R44 PolarHBondContact ND2-NH2 3.18Å; N33-R44 PolarHBondContact O-NE 3.04Å; N33-R44 PolarHBondContact O-NH2 2.78Å; N33-R44 PolarHBondContact OD1-NE 2.93Å; N33-R44 PolarHBondContact OD1-NH2 2.82Å; N33-V48 HydrophobicContact CB-CG2 4.03Å
34Y80.4Confident81Confident178 Ų17897.2 Ų97.270%0.69849%0.493SS*.Hα-helixtrans-81.5-42.6177.7-165.2-97.8000113.2I30 V31 G32I30-Y34 PolarHBondContact O-N 2.93Å; V31-Y34 PolarHBondContact O-N 3.47Å; G32-Y34 PolarHBondContact O-N 2.88Å
35L77.4Confident80.7Confident122 Ų12297.4 Ų97.464%0.63950%0.495SS*.Hα-helixtrans-71.7-39.3-178-91.6130.9000113.4V31 G32 R37V31-L35 HydrophobicContact CG1-CD1 3.38Å; V31-L35 PolarHBondContact O-N 2.97Å; G32-L35 PolarHBondContact O-N 2.93Å; L35-R37 PolarHBondContact O-N 3.38Å; L35-R37 VanDerWaalsContact O-N 3.13Å
36Y77.1Confident80.6Confident143 Ų143100.5 Ų100.556%0.56151%0.511SS*.THydrogen-bonded Turntrans-89.742.5-178-63.7-70.6000112.4G32 D38 I39G32-Y36 WeakPolarHBondContact O-CB 3.34Å; G32-Y36 VanDerWaalsContact O-CD2 3.22Å; G32-Y36 WeakPolarHBondContact O-CD2 3.5Å; G32-Y36 PolarHBondContact O-N 2.76Å; Y36-D38 PolarHBondContact O-N 2.73Å; Y36-I39 HydrophobicContact CD1-CD1 3.48Å; Y36-I39 VanDerWaalsContact CD1-CD1 3.48Å; Y36-I39 HydrophobicContact CD1-CG1 4.35Å; Y36-I39 HydrophobicContact CE1-CD1 4.27Å; Y36-I39 HydrophobicContact CG-CD1 4.06Å; Y36-I39 PolarHBondContact O-N 2.78Å
37R70.6Confident80.5Confident182 Ų18299.4 Ų99.469%0.68751%0.512SS*.THydrogen-bonded Turntrans-66.1-24.3-179.7-154.6175.6-166.7176.93.7112.7L35L35-R37 PolarHBondContact O-N 3.38Å; L35-R37 VanDerWaalsContact O-N 3.13Å
38D70.3Confident80.4Confident163 Ų16396.2 Ų96.287%0.87250%0.497SS*.THydrogen-bonded Turntrans-90-3.1-175.4-56.7-37.5000114.3Y36Y36-D38 PolarHBondContact O-N 2.73Å
39I74.3Confident80.3Confident73 Ų7396.9 Ų96.937%0.37450%0.501SS..SBendtrans-88.1151177.8-66-176.6000111Y36 L41 L43Y36-I39 HydrophobicContact CD1-CD1 3.48Å; Y36-I39 VanDerWaalsContact CD1-CD1 3.48Å; Y36-I39 HydrophobicContact CD1-CG1 4.35Å; Y36-I39 HydrophobicContact CE1-CD1 4.27Å; Y36-I39 HydrophobicContact CG-CD1 4.06Å; Y36-I39 PolarHBondContact O-N 2.78Å; I39-L41 PolarHBondContact O-N 2.91Å; I39-L43 HydrophobicContact CG2-CB 4.22Å; I39-L43 HydrophobicContact CG2-CD2 3.94Å
40M78.4Confident80.6Confident153 Ų153101.6 Ų101.675%0.75452%0.524SS*.  trans-42.1122.8169.8-72.4-78.5161.600112.5P42 L43 R44M40-P42 VanDerWaalsContact C-CD 3.42Å; M40-L43 PolarHBondContact O-N 3Å; M40-L43 VanDerWaalsContact O-N 3.13Å; M40-R44 PolarHBondContact O-N 2.85Å
41L75.3Confident80.7Confident145 Ų14598.4 Ų98.476%0.75951%0.508SS*.Hα-helixtrans-47.6-43.4-177-162.5131.4000115.6I39 L43 A45I39-L41 PolarHBondContact O-N 2.91Å; L41-L43 PolarHBondContact O-N 3.18Å; L41-A45 PolarHBondContact O-N 3.27Å; L41-A45 VanDerWaalsContact O-N 3.16Å
42P80.6Confident80.8Confident94 Ų9498.9 Ų98.961%0.6151%0.507SS*.Hα-helixtrans-67.5-35-179.424.7-34.5000113.8M40 A45 L46M40-P42 VanDerWaalsContact C-CD 3.42Å; P42-A45 PolarHBondContact O-N 3.15Å; P42-L46 WeakPolarHBondContact O-CB 3.41Å; P42-L46 PolarHBondContact O-N 2.94Å
43L83.1Confident81.1Confident115 Ų115101.1 Ų101.160%0.60252%0.524SS*.Hα-helixtrans-69.3-41-178.1-161.185.6000111.1I39 M40 L41 L46 A47I39-L43 HydrophobicContact CG2-CB 4.22Å; I39-L43 HydrophobicContact CG2-CD2 3.94Å; M40-L43 PolarHBondContact O-N 3Å; M40-L43 VanDerWaalsContact O-N 3.13Å; L41-L43 PolarHBondContact O-N 3.18Å; L43-L46 PolarHBondContact O-N 3.44Å; L43-A47 PolarHBondContact O-N 2.66Å
44R79.4Confident81.5Confident64 Ų64100.2 Ų100.224%0.24253%0.525CS..Hα-helixtrans-63-46175.3175178.6160.1-174.2-2111.8N33 M40 L46 A47 V48N33-R44 PolarHBondContact ND2-NH2 3.18Å; N33-R44 PolarHBondContact O-NE 3.04Å; N33-R44 PolarHBondContact O-NH2 2.78Å; N33-R44 PolarHBondContact OD1-NE 2.93Å; N33-R44 PolarHBondContact OD1-NH2 2.82Å; M40-R44 PolarHBondContact O-N 2.85Å; R44-L46 VanDerWaalsContact C-N 3.3Å; R44-L46 PolarHBondContact O-N 2.84Å; R44-A47 PolarHBondContact O-N 3.22Å; R44-V48 WeakPolarHBondContact O-CG2 3.42Å; R44-V48 PolarHBondContact O-N 3.3Å
45A81.5Confident81.8Confident50 Ų5091.9 Ų91.941%0.41349%0.493SS..Hα-helixtrans-59.8-43.5176.500000111.3L41 P42 V48 V49L41-A45 PolarHBondContact O-N 3.27Å; L41-A45 VanDerWaalsContact O-N 3.16Å; P42-A45 PolarHBondContact O-N 3.15Å; A45-V48 PolarHBondContact O-N 3Å; A45-V49 VanDerWaalsContact O-CG2 3.26Å; A45-V49 WeakPolarHBondContact O-CG2 3.14Å; A45-V49 PolarHBondContact O-N 3.22Å
46L87.6Confident82.1Confident104 Ų10487.6 Ų87.655%0.54548%0.479SS..Hα-helixtrans-63.4-43.4178.2-168148.8000112P42 L43 R44 V48 V49 I50P42-L46 WeakPolarHBondContact O-CB 3.41Å; P42-L46 PolarHBondContact O-N 2.94Å; L43-L46 PolarHBondContact O-N 3.44Å; R44-L46 VanDerWaalsContact C-N 3.3Å; R44-L46 PolarHBondContact O-N 2.84Å; L46-V48 PolarHBondContact O-N 3.48Å; L46-V49 PolarHBondContact O-N 3.08Å; L46-I50 HydrophobicContact CD2-CD1 3.43Å; L46-I50 VanDerWaalsContact CD2-CD1 3.43Å; L46-I50 HydrophobicContact CD2-CG1 4.22Å; L46-I50 HydrophobicContact CG-CD1 4.48Å; L46-I50 WeakPolarHBondContact O-CG1 3.17Å; L46-I50 PolarHBondContact O-N 2.57Å
47A84.8Confident82.5Confident50 Ų5082.3 Ų82.341%0.41347%0.467SS..Hα-helixtrans-62.3-43176.600000112.8L43 R44 I50 L51L43-A47 PolarHBondContact O-N 2.66Å; R44-A47 PolarHBondContact O-N 3.22Å; A47-I50 PolarHBondContact O-N 3.02Å; A47-L51 PolarHBondContact O-N 3.29Å
48V85.4Confident83.1Confident30 Ų3075.5 Ų75.518%0.18245%0.446CS..Hα-helixtrans-63.7-44176.6171.90000110.8N33 R44 A45 L46 I50 L51 I52N33-V48 HydrophobicContact CB-CG2 4.03Å; R44-V48 WeakPolarHBondContact O-CG2 3.42Å; R44-V48 PolarHBondContact O-N 3.3Å; A45-V48 PolarHBondContact O-N 3Å; L46-V48 PolarHBondContact O-N 3.48Å; V48-I50 PolarHBondContact O-N 3.36Å; V48-L51 PolarHBondContact O-N 3.45Å; V48-I52 HydrophobicContact CG1-CD1 3.65Å; V48-I52 HydrophobicContact CG1-CG1 4.35Å; V48-I52 WeakPolarHBondContact O-CB 3.44Å; V48-I52 VanDerWaalsContact O-CG1 3.26Å; V48-I52 WeakPolarHBondContact O-CG1 3.45Å; V48-I52 PolarHBondContact O-N 3.05Å
49V86.6Confident83.7Confident96 Ų9669 Ų6958%0.58241%0.414SS*.Hα-helixtrans-62-42.1176.9171.50000111.4A45 L46 I52 A53A45-V49 VanDerWaalsContact O-CG2 3.26Å; A45-V49 WeakPolarHBondContact O-CG2 3.14Å; A45-V49 PolarHBondContact O-N 3.22Å; L46-V49 PolarHBondContact O-N 3.08Å; V49-I52 PolarHBondContact O-N 2.86Å; V49-A53 VanDerWaalsContact O-CB 3.25Å; V49-A53 WeakPolarHBondContact O-CB 3.5Å; V49-A53 PolarHBondContact O-N 3.47Å
50I89.2Confident84.1Confident103 Ų10370 Ų7053%0.52842%0.42SS..Hα-helixtrans-62.1-46176.3-71.5176.5000111.2L46 A47 V48 A53 A54L46-I50 HydrophobicContact CD2-CD1 3.43Å; L46-I50 VanDerWaalsContact CD2-CD1 3.43Å; L46-I50 HydrophobicContact CD2-CG1 4.22Å; L46-I50 HydrophobicContact CG-CD1 4.48Å; L46-I50 WeakPolarHBondContact O-CG1 3.17Å; L46-I50 PolarHBondContact O-N 2.57Å; A47-I50 PolarHBondContact O-N 3.02Å; V48-I50 PolarHBondContact O-N 3.36Å; I50-A53 PolarHBondContact O-N 3.43Å; I50-A54 WeakPolarHBondContact O-CB 3.23Å; I50-A54 PolarHBondContact O-N 3.44Å
51L87.2Confident84.2Confident46 Ų4668 Ų6824%0.24141%0.412CS..Hα-helixtrans-65.6-40179.6-75.9170000112.3L25 V28 A29 A47 V48 A54 A55L25-L51 HydrophobicContact CD2-CD2 3.73Å; V28-L51 HydrophobicContact CG1-CD1 3.9Å; A29-L51 HydrophobicContact CB-CB 3.91Å; A29-L51 HydrophobicContact CB-CD1 4.08Å; A47-L51 PolarHBondContact O-N 3.29Å; V48-L51 PolarHBondContact O-N 3.45Å; L51-A54 PolarHBondContact O-N 3.09Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.49Å
52I86.7Confident84.5Confident86 Ų8661.1 Ų61.144%0.44138%0.376SS..Hα-helixtrans-64.9-42.6174.3-68.2170.6000110.4L26 V48 V49 A55 G56L26-I52 HydrophobicContact CD2-CG1 4.38Å; V48-I52 HydrophobicContact CG1-CD1 3.65Å; V48-I52 HydrophobicContact CG1-CG1 4.35Å; V48-I52 WeakPolarHBondContact O-CB 3.44Å; V48-I52 VanDerWaalsContact O-CG1 3.26Å; V48-I52 WeakPolarHBondContact O-CG1 3.45Å; V48-I52 PolarHBondContact O-N 3.05Å; V49-I52 PolarHBondContact O-N 2.86Å; I52-A55 PolarHBondContact O-N 3.3Å; I52-G56 PolarHBondContact O-N 2.62Å
53A87.7Confident84.2Confident65 Ų6560.4 Ų60.454%0.53737%0.37SS..Hα-helixtrans-63.8-41176.600000111.8V49 I50 G56 G57V49-A53 VanDerWaalsContact O-CB 3.25Å; V49-A53 WeakPolarHBondContact O-CB 3.5Å; V49-A53 PolarHBondContact O-N 3.47Å; I50-A53 PolarHBondContact O-N 3.43Å; A53-G56 PolarHBondContact O-N 3.06Å; A53-G57 PolarHBondContact O-N 3.49Å
54A88.8Confident84.1Confident42 Ų4261.5 Ų61.535%0.34737%0.37SS..Hα-helixtrans-63.8-45.1174.600000111.5L25 I50 L51 G56 G57 V58L25-A54 HydrophobicContact CD1-CB 4.25Å; I50-A54 WeakPolarHBondContact O-CB 3.23Å; I50-A54 PolarHBondContact O-N 3.44Å; L51-A54 PolarHBondContact O-N 3.09Å; A54-G56 VanDerWaalsContact C-N 3.32Å; A54-G56 PolarHBondContact O-N 3.3Å; A54-G57 PolarHBondContact O-N 3.18Å; A54-V58 WeakPolarHBondContact O-CG2 3.24Å; A54-V58 PolarHBondContact O-N 3.44Å
55A85.3Confident84Confident4 Ų458.9 Ų58.93%0.03336%0.363CS..Hα-helixtrans-59.4-43.1174.600000111.4V22 L25 L26 L51 I52 V58 A59V22-A55 HydrophobicContact CG1-CB 4.34Å; L25-A55 HydrophobicContact CB-CB 3.97Å; L25-A55 HydrophobicContact CD1-CB 4.32Å; L26-A55 HydrophobicContact CD2-CB 4.13Å; L26-A55 HydrophobicContact CG-CB 4.13Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.49Å; I52-A55 PolarHBondContact O-N 3.3Å; A55-V58 PolarHBondContact O-N 2.96Å; A55-A59 WeakPolarHBondContact O-CB 3.19Å; A55-A59 PolarHBondContact O-N 2.96Å
56G83.7Confident83.9Confident32 Ų3263 Ų6333%0.3337%0.372SS..Hα-helixtrans-61.6-42.1173.500000113.1I52 A53 A54 A59 L60I52-G56 PolarHBondContact O-N 2.62Å; A53-G56 PolarHBondContact O-N 3.06Å; A54-G56 VanDerWaalsContact C-N 3.32Å; A54-G56 PolarHBondContact O-N 3.3Å; G56-A59 PolarHBondContact O-N 3.31Å; G56-L60 VanDerWaalsContact O-CG 3.3Å; G56-L60 WeakPolarHBondContact O-CG 3.5Å; G56-L60 PolarHBondContact O-N 3.18Å
57G86.2Confident83.6Confident31 Ų3161 Ų6132%0.3237%0.37SS..Hα-helixtrans-62.4-45.217600000112.9A53 A54 A59 L60 L61A53-G57 PolarHBondContact O-N 3.49Å; A54-G57 PolarHBondContact O-N 3.18Å; G57-A59 VanDerWaalsContact C-N 3.35Å; G57-L60 PolarHBondContact O-N 3.33Å; G57-L61 WeakPolarHBondContact O-CG 3.2Å; G57-L61 PolarHBondContact O-N 2.93Å
58V83.3Confident83.4Confident39 Ų3962.8 Ų62.824%0.23638%0.376CS..Hα-helixtrans-65.2-39.7175.7178.80000110.9K18 V21 V22 L25 A54 A55 L60 L61 T62K18-V58 HydrophobicContact CB-CG1 4.41Å; V21-V58 HydrophobicContact CG1-CG1 4.28Å; V21-V58 HydrophobicContact CG1-CG2 4.49Å; V22-V58 HydrophobicContact CG2-CB 3.87Å; V22-V58 HydrophobicContact CG2-CG1 3.69Å; L25-V58 HydrophobicContact CD1-CG2 4.42Å; A54-V58 WeakPolarHBondContact O-CG2 3.24Å; A54-V58 PolarHBondContact O-N 3.44Å; A55-V58 PolarHBondContact O-N 2.96Å; V58-L60 PolarHBondContact O-N 3.1Å; V58-L61 PolarHBondContact O-N 2.97Å; V58-T62 PolarHBondContact O-N 3.22Å; V58-T62 PolarHBondContact O-OG1 3.23Å
59A82.8Confident83.2Confident26 Ų2664.3 Ų64.322%0.21539%0.385CS..Hα-helixtrans-61.9-42.3175.500000112V22 A55 G56 G57 L61 T62 G65V22-A59 HydrophobicContact CG2-CB 4.16Å; A55-A59 WeakPolarHBondContact O-CB 3.19Å; A55-A59 PolarHBondContact O-N 2.96Å; G56-A59 PolarHBondContact O-N 3.31Å; G57-A59 VanDerWaalsContact C-N 3.35Å; A59-L61 VanDerWaalsContact C-N 3.3Å; A59-L61 PolarHBondContact O-N 3.18Å; A59-T62 VanDerWaalsContact O-CB 3.26Å; A59-T62 WeakPolarHBondContact O-CB 3.5Å; A59-T62 PolarHBondContact O-N 2.97Å; A59-T62 VanDerWaalsContact O-N 3.08Å; A59-T62 PolarHBondContact O-OG1 2.98Å; A59-G65 WeakPolarHBondContact O-CA 3.34Å
60L83.1Confident83Confident94 Ų9462 Ų6249%0.49238%0.376SS..Hα-helixtrans-65.3-28.7177.2-73.9169.5000113.5G56 G57 V58 T62 K66 V69G56-L60 VanDerWaalsContact O-CG 3.3Å; G56-L60 WeakPolarHBondContact O-CG 3.5Å; G56-L60 PolarHBondContact O-N 3.18Å; G57-L60 PolarHBondContact O-N 3.33Å; V58-L60 PolarHBondContact O-N 3.1Å; L60-T62 PolarHBondContact O-N 3.15Å; L60-K66 WeakPolarHBondContact O-CG 3.49Å; L60-V69 HydrophobicContact CD2-CG2 3.42Å; L60-V69 VanDerWaalsContact CD2-CG2 3.42Å
61L79.4Confident82.8Confident113 Ų11364.1 Ų64.159%0.59238%0.382SS*.THydrogen-bonded Turntrans-78.8-2.6174.7-70.5169.4000113.7K18 G57 V58 A59K18-L61 PolarHBondContact NZ-O 2.97Å; G57-L61 WeakPolarHBondContact O-CG 3.2Å; G57-L61 PolarHBondContact O-N 2.93Å; V58-L61 PolarHBondContact O-N 2.97Å; A59-L61 VanDerWaalsContact C-N 3.3Å; A59-L61 PolarHBondContact O-N 3.18Å
62T81.3Confident82.6Confident0 Ų064.7 Ų64.70%039%0.393CS..SBendtrans-87.8150175.7-44.80000109.7E15 V58 A59 L60 K64 G65 K66E15-T62 HydrophobicContact CG-CG2 4.48Å; V58-T62 PolarHBondContact O-N 3.22Å; V58-T62 PolarHBondContact O-OG1 3.23Å; A59-T62 VanDerWaalsContact O-CB 3.26Å; A59-T62 WeakPolarHBondContact O-CB 3.5Å; A59-T62 PolarHBondContact O-N 2.97Å; A59-T62 VanDerWaalsContact O-N 3.08Å; A59-T62 PolarHBondContact O-OG1 2.98Å; L60-T62 PolarHBondContact O-N 3.15Å; T62-K64 VanDerWaalsContact C-N 3.29Å; T62-K64 PolarHBondContact O-N 2.83Å; T62-G65 WeakPolarHBondContact O-CA 3.43Å; T62-G65 PolarHBondContact O-N 3.43Å; T62-K66 PolarHBondContact O-N 3.08Å
63T76.1Confident82.5Confident78 Ų7869.7 Ų69.748%0.47941%0.407SS..Hα-helixtrans-56.8-41.4-178.651.60000112.5E15 K66 A67E15-T63 VanDerWaalsContact OE1-CB 3.26Å; E15-T63 WeakPolarHBondContact OE1-CB 3.47Å; E15-T63 WeakPolarHBondContact OE1-CG2 3.3Å; E15-T63 PolarHBondContact OE1-OG1 3.32Å; E15-T63 PolarHBondContact OE2-OG1 3.44Å; E15-T63 VanDerWaalsContact OE2-OG1 3.11Å; T63-K66 PolarHBondContact O-N 3.33Å; T63-A67 PolarHBondContact O-N 3.33Å
64K79.5Confident82.3Confident139 Ų13972.8 Ų72.860%0.60441%0.41SS*.Hα-helixtrans-62.4-38.9171.7-67.7-168.9177-175.90113T62 A67 T68T62-K64 VanDerWaalsContact C-N 3.29Å; T62-K64 PolarHBondContact O-N 2.83Å; K64-A67 WeakPolarHBondContact O-CB 3.13Å; K64-A67 PolarHBondContact O-N 2.9Å; K64-T68 WeakPolarHBondContact O-CG2 3.41Å; K64-T68 PolarHBondContact O-N 3.21Å; K64-T68 PolarHBondContact O-OG1 2.98Å
65G77.9Confident82Confident9 Ų972.7 Ų72.79%0.09341%0.409CS..Hα-helixtrans-62.5-46.7176.100000112.2A59 T62 A67 T68 V69A59-G65 WeakPolarHBondContact O-CA 3.34Å; T62-G65 WeakPolarHBondContact O-CA 3.43Å; T62-G65 PolarHBondContact O-N 3.43Å; G65-A67 VanDerWaalsContact C-N 3.3Å; G65-A67 PolarHBondContact O-N 3.41Å; G65-T68 WeakPolarHBondContact CA-OG1 3.26Å; G65-T68 PolarHBondContact O-N 3.31Å; G65-T68 VanDerWaalsContact O-N 3.16Å; G65-T68 PolarHBondContact O-OG1 3.26Å; G65-V69 WeakPolarHBondContact O-CG2 3.39Å; G65-V69 PolarHBondContact O-N 3.43Å; G65-V69 VanDerWaalsContact O-N 3.09Å
66K79.8Confident81.7Confident137 Ų13781.3 Ų81.360%0.59644%0.441SS*.Hα-helixtrans-60.2-39.4174.2-66.7-173.3180-177.70112.3L60 T62 T63 V69 A70L60-K66 WeakPolarHBondContact O-CG 3.49Å; T62-K66 PolarHBondContact O-N 3.08Å; T63-K66 PolarHBondContact O-N 3.33Å; K66-V69 PolarHBondContact O-N 2.92Å; K66-A70 PolarHBondContact O-N 3.33Å
67A81.7Confident81.6Confident61 Ų6183.9 Ų83.950%0.50445%0.45SS..Hα-helixtrans-62.7-41.5174.900000112.3T63 K64 G65 V69 A70 F71T63-A67 PolarHBondContact O-N 3.33Å; K64-A67 WeakPolarHBondContact O-CB 3.13Å; K64-A67 PolarHBondContact O-N 2.9Å; G65-A67 VanDerWaalsContact C-N 3.3Å; G65-A67 PolarHBondContact O-N 3.41Å; A67-V69 VanDerWaalsContact C-N 3.33Å; A67-V69 PolarHBondContact O-N 3.21Å; A67-A70 PolarHBondContact O-N 2.97Å; A67-F71 PolarHBondContact O-N 2.91Å
68T80.1Confident81.2Confident88 Ų8887.6 Ų87.654%0.5446%0.459SS..Hα-helixtrans-65-34.4176.255.50000113.2K64 G65 A72K64-T68 WeakPolarHBondContact O-CG2 3.41Å; K64-T68 PolarHBondContact O-N 3.21Å; K64-T68 PolarHBondContact O-OG1 2.98Å; G65-T68 WeakPolarHBondContact CA-OG1 3.26Å; G65-T68 PolarHBondContact O-N 3.31Å; G65-T68 VanDerWaalsContact O-N 3.16Å; G65-T68 PolarHBondContact O-OG1 3.26Å; T68-A72 WeakPolarHBondContact O-CB 3.31Å; T68-A72 PolarHBondContact O-N 2.9Å
69V81.5Confident80.6Confident62 Ų6289.6 Ų89.638%0.37647%0.472SS..Hα-helixtrans-69.3-39.4175.4175.20000111.5L60 G65 K66 A67 A72 R73L60-V69 HydrophobicContact CD2-CG2 3.42Å; L60-V69 VanDerWaalsContact CD2-CG2 3.42Å; G65-V69 WeakPolarHBondContact O-CG2 3.39Å; G65-V69 PolarHBondContact O-N 3.43Å; G65-V69 VanDerWaalsContact O-N 3.09Å; K66-V69 PolarHBondContact O-N 2.92Å; A67-V69 VanDerWaalsContact C-N 3.33Å; A67-V69 PolarHBondContact O-N 3.21Å; V69-A72 PolarHBondContact O-N 3.27Å; V69-R73 PolarHBondContact O-N 3.13Å
70A82Confident80.1Confident48 Ų4898.2 Ų98.240%0.39750%0.499SS..Hα-helixtrans-62.4-47.3174.700000111K66 A67 A72 R73 E74K66-A70 PolarHBondContact O-N 3.33Å; A67-A70 PolarHBondContact O-N 2.97Å; A70-A72 VanDerWaalsContact C-N 3.35Å; A70-A72 PolarHBondContact O-N 3.29Å; A70-R73 WeakPolarHBondContact O-CB 3.28Å; A70-R73 PolarHBondContact O-N 3.22Å; A70-R73 VanDerWaalsContact O-N 3.12Å; A70-E74 PolarHBondContact O-N 2.91Å
71F85Confident79.8Confident146 Ų146100.6 Ų100.664%0.6451%0.505SS*.Hα-helixtrans-58.9-43.1175.2-179.6-98.7000112.6A67 R73 E74 A75A67-F71 PolarHBondContact O-N 2.91Å; F71-R73 VanDerWaalsContact C-N 3.31Å; F71-R73 PolarHBondContact O-N 2.9Å; F71-E74 PolarHBondContact O-N 3.25Å; F71-A75 WeakPolarHBondContact O-CB 3.35Å; F71-A75 PolarHBondContact O-N 2.74Å
72A83.5Confident79.7Confident59 Ų5999 Ų9949%0.48850%0.5SS..Hα-helixtrans-64.1-35.117700000112.6T68 V69 A70 R76T68-A72 WeakPolarHBondContact O-CB 3.31Å; T68-A72 PolarHBondContact O-N 2.9Å; V69-A72 PolarHBondContact O-N 3.27Å; A70-A72 VanDerWaalsContact C-N 3.35Å; A70-A72 PolarHBondContact O-N 3.29Å; A72-R76 WeakPolarHBondContact O-CB 3.48Å; A72-R76 PolarHBondContact O-N 2.87Å; A72-R76 VanDerWaalsContact O-N 3.13Å
73R83.7Confident79.3Confident191 Ų191106.8 Ų106.872%0.72154%0.54SS*.Hα-helixtrans-67.2-45.5173-84.6-175.4179.5178.30.1111.4V69 A70 F71 R76 T77V69-R73 PolarHBondContact O-N 3.13Å; A70-R73 WeakPolarHBondContact O-CB 3.28Å; A70-R73 PolarHBondContact O-N 3.22Å; A70-R73 VanDerWaalsContact O-N 3.12Å; F71-R73 VanDerWaalsContact C-N 3.31Å; F71-R73 PolarHBondContact O-N 2.9Å; R73-R76 PolarHBondContact O-N 3.22Å; R73-T77 PolarHBondContact O-N 3.2Å; R73-T77 PolarHBondContact O-OG1 3.1Å
74E84.7Confident79.1Confident129 Ų129111.7 Ų111.760%0.60355%0.55SS*.Hα-helixtrans-61.7-47.6177.3-75.7174.5-177.700111.7A70 F71 R76 T77 E78A70-E74 PolarHBondContact O-N 2.91Å; F71-E74 PolarHBondContact O-N 3.25Å; E74-R76 VanDerWaalsContact C-N 3.28Å; E74-R76 PolarHBondContact O-N 2.89Å; E74-T77 WeakPolarHBondContact O-CA 3.38Å; E74-T77 VanDerWaalsContact O-CB 3.32Å; E74-T77 WeakPolarHBondContact O-CB 3.37Å; E74-T77 PolarHBondContact O-N 3.47Å; E74-E78 PolarHBondContact O-N 3.4Å
75A81.8Confident78.9Confident41 Ų41108.3 Ų108.334%0.33954%0.541SS..Hα-helixtrans-57-40.8176.100000112.3F71 T77 E78 V79F71-A75 WeakPolarHBondContact O-CB 3.35Å; F71-A75 PolarHBondContact O-N 2.74Å; A75-T77 PolarHBondContact O-N 3.33Å; A75-E78 PolarHBondContact O-N 3.12Å; A75-V79 VanDerWaalsContact O-CG2 3.29Å; A75-V79 WeakPolarHBondContact O-CG2 3.49Å; A75-V79 PolarHBondContact O-N 3.21Å
76R79.6Confident79.1Confident184 Ų184111.6 Ų111.669%0.69456%0.56SS**Hα-helixtrans-64.8-27.7175.9-165.9174.6-171.4171.12.6112.7A72 R73 E74 R80A72-R76 WeakPolarHBondContact O-CB 3.48Å; A72-R76 PolarHBondContact O-N 2.87Å; A72-R76 VanDerWaalsContact O-N 3.13Å; R73-R76 PolarHBondContact O-N 3.22Å; E74-R76 VanDerWaalsContact C-N 3.28Å; E74-R76 PolarHBondContact O-N 2.89Å; R76-R80 PolarHBondContact O-N 2.93Å
77T79.6Confident79.3Confident86 Ų86115.8 Ų115.853%0.52857%0.572SS.*Hα-helixtrans-77.6-38.6179.1-38.10000110.7R73 E74 A75 R80R73-T77 PolarHBondContact O-N 3.2Å; R73-T77 PolarHBondContact O-OG1 3.1Å; E74-T77 WeakPolarHBondContact O-CA 3.38Å; E74-T77 VanDerWaalsContact O-CB 3.32Å; E74-T77 WeakPolarHBondContact O-CB 3.37Å; E74-T77 PolarHBondContact O-N 3.47Å; A75-T77 PolarHBondContact O-N 3.33Å; T77-R80 PolarHBondContact O-N 3.44Å
78E78.2Confident79.4Confident110 Ų110119.7 Ų119.751%0.51458%0.58SS.*Hα-helixtrans-67.7-40.7172.7-76.6-58.6138.900112.8E74 A75 R80 K81E74-E78 PolarHBondContact O-N 3.4Å; A75-E78 PolarHBondContact O-N 3.12Å; E78-R80 PolarHBondContact O-N 3.15Å; E78-R80 VanDerWaalsContact O-N 3.16Å; E78-K81 WeakPolarHBondContact O-CB 3.39Å; E78-K81 PolarHBondContact O-N 2.86Å; E78-K81 IonicContact OE1-NZ 2.66Å; E78-K81 PolarHBondContact OE1-NZ 3.35Å; E78-K81 IonicContact OE2-NZ 2.69Å
79V72.2Confident79.5Confident81 Ų81120.5 Ų120.549%0.49158%0.577SS.*Hα-helixtrans-60.7-28.8176.9171.50000112.3A75 K81 V82A75-V79 VanDerWaalsContact O-CG2 3.29Å; A75-V79 WeakPolarHBondContact O-CG2 3.49Å; A75-V79 PolarHBondContact O-N 3.21Å; V79-K81 VanDerWaalsContact C-N 3.29Å; V79-K81 PolarHBondContact O-N 3.2Å; V79-V82 PolarHBondContact O-N 3.05Å
80R70.8Confident79.8Confident207 Ų207120.3 Ų120.378%0.78158%0.577SS**THydrogen-bonded Turntrans-71.7-18.7175.6-83.9-176.7173.8-179.3-1.9114.1R76 T77 E78 V82R76-R80 PolarHBondContact O-N 2.93Å; T77-R80 PolarHBondContact O-N 3.44Å; E78-R80 PolarHBondContact O-N 3.15Å; E78-R80 VanDerWaalsContact O-N 3.16Å; R80-V82 VanDerWaalsContact C-N 3.3Å
81K76.8Confident80.2Confident143 Ų143123.4 Ų123.462%0.62259%0.586SS**THydrogen-bonded Turntrans-78.9-15.9175.9-64.2179.3-176.8167.70112.5E78 V79 I83E78-K81 WeakPolarHBondContact O-CB 3.39Å; E78-K81 PolarHBondContact O-N 2.86Å; E78-K81 IonicContact OE1-NZ 2.66Å; E78-K81 PolarHBondContact OE1-NZ 3.35Å; E78-K81 IonicContact OE2-NZ 2.69Å; V79-K81 VanDerWaalsContact C-N 3.29Å; V79-K81 PolarHBondContact O-N 3.2Å; K81-I83 PolarHBondContact O-N 3.27Å
82V78Confident80.3Confident81 Ų81122.2 Ų122.249%0.49158%0.582SS.*SBendtrans-74.7116.2177.1-1770000108.9V79 R80 W84V79-V82 PolarHBondContact O-N 3.05Å; R80-V82 VanDerWaalsContact C-N 3.3Å; V82-W84 VanDerWaalsContact O-CD1 3.24Å; V82-W84 PolarHBondContact O-N 3.43Å; V82-W84 VanDerWaalsContact O-N 3.1Å
83I72Confident80.5Confident162 Ų162123.3 Ų123.383%0.83158%0.583SS**  trans-72.3102.9172.1-59.6168.6000106.9K81K81-I83 PolarHBondContact O-N 3.27Å
84W72.9Confident81Confident182 Ų182118.2 Ų118.269%0.68957%0.573SS**PPolyproline II helixtrans-72138.5172.2-68.489.3000109.3V82V82-W84 VanDerWaalsContact O-CD1 3.24Å; V82-W84 PolarHBondContact O-N 3.43Å; V82-W84 VanDerWaalsContact O-N 3.1Å
85P74.6Confident81.3Confident67 Ų67117.6 Ų117.644%0.43557%0.573SS.*PPolyproline II helixtrans-54.4147.1173.721.5-30.8000109.8E89 T90P85-E89 HydrophobicContact CB-CB 4.05Å; P85-T90 WeakPolarHBondContact CG-OG1 3.5Å; P85-T90 PolarHBondContact O-OG1 3.26Å
86T83Confident81.8Confident79 Ų79120.8 Ų120.849%0.48558%0.584SS.*PPolyproline II helixtrans-59.2154.9177.461.20000109.7Q88 E89 T90T86-Q88 PolarHBondContact O-N 3.42Å; T86-E89 PolarHBondContact N-OE2 2.69Å; T86-E89 PolarHBondContact O-N 3.41Å; T86-E89 VanDerWaalsContact O-N 3.09Å; T86-E89 VanDerWaalsContact OG1-CD 3.32Å; T86-E89 VanDerWaalsContact OG1-CG 3.31Å; T86-E89 WeakPolarHBondContact OG1-CG 3.45Å; T86-E89 PolarHBondContact OG1-N 3.12Å; T86-E89 PolarHBondContact OG1-OE2 3.03Å; T86-T90 PolarHBondContact O-N 3.38Å; T86-T90 PolarHBondContact O-OG1 3.16Å
87R84.3Confident82.5Confident225 Ų225116.4 Ų116.485%0.84958%0.577SS**Hα-helixtrans-53.1-32.5178.2-75.3-171174.1-154.5-0.6111.9L91R87-L91 WeakPolarHBondContact O-CB 3.44Å; R87-L91 VanDerWaalsContact O-CG 3.25Å; R87-L91 WeakPolarHBondContact O-CG 3.44Å; R87-L91 PolarHBondContact O-N 3.43Å; R87-L91 VanDerWaalsContact O-N 3.11Å
88Q83.2Confident83.2Confident143 Ų143114.7 Ų114.767%0.66857%0.572SS**Hα-helixtrans-71.5-47.1177.8-70.1-176.9-27.300112.4T86 T90 L91 H92T86-Q88 PolarHBondContact O-N 3.42Å; Q88-T90 VanDerWaalsContact C-N 3.32Å; Q88-T90 PolarHBondContact O-N 2.96Å; Q88-L91 PolarHBondContact O-N 3.23Å; Q88-H92 PolarHBondContact O-CD2 3.05Å; Q88-H92 PolarHBondContact O-N 3.04Å
89E82.6Confident84Confident104 Ų104112.1 Ų112.149%0.48657%0.569SS.*Hα-helixtrans-62.3-39.9176.4-71.5164.7148.900112.1P85 T86 H92 T93P85-E89 HydrophobicContact CB-CB 4.05Å; T86-E89 PolarHBondContact N-OE2 2.69Å; T86-E89 PolarHBondContact O-N 3.41Å; T86-E89 VanDerWaalsContact O-N 3.09Å; T86-E89 VanDerWaalsContact OG1-CD 3.32Å; T86-E89 VanDerWaalsContact OG1-CG 3.31Å; T86-E89 WeakPolarHBondContact OG1-CG 3.45Å; T86-E89 PolarHBondContact OG1-N 3.12Å; T86-E89 PolarHBondContact OG1-OE2 3.03Å; E89-H92 PolarHBondContact O-N 3.29Å; E89-T93 WeakPolarHBondContact O-CB 3.38Å; E89-T93 WeakPolarHBondContact O-CG2 3.39Å; E89-T93 PolarHBondContact O-N 3.41Å; E89-T93 PolarHBondContact O-OG1 3.39Å
90T87.1Confident85.1Confident58 Ų58112.2 Ų112.236%0.35657%0.57SS.*Hα-helixtrans-63.1-43.4176.9-49.80000110.9P85 T86 Q88 T93 T94P85-T90 WeakPolarHBondContact CG-OG1 3.5Å; P85-T90 PolarHBondContact O-OG1 3.26Å; T86-T90 PolarHBondContact O-N 3.38Å; T86-T90 PolarHBondContact O-OG1 3.16Å; Q88-T90 VanDerWaalsContact C-N 3.32Å; Q88-T90 PolarHBondContact O-N 2.96Å; T90-T93 WeakPolarHBondContact CA-OG1 3.36Å; T90-T93 PolarHBondContact O-OG1 3.31Å; T90-T93 VanDerWaalsContact O-OG1 3.11Å; T90-T94 VanDerWaalsContact O-CB 3.22Å; T90-T94 WeakPolarHBondContact O-CB 3.45Å; T90-T94 PolarHBondContact O-N 3.41Å; T90-T94 PolarHBondContact O-OG1 3.22Å
91L90.3Very high86.3Confident113 Ų113106.1 Ų106.159%0.59256%0.555SS**Hα-helixtrans-66.1-44.4177.1-76.9172.3000112R87 Q88 T94 L95R87-L91 WeakPolarHBondContact O-CB 3.44Å; R87-L91 VanDerWaalsContact O-CG 3.25Å; R87-L91 WeakPolarHBondContact O-CG 3.44Å; R87-L91 PolarHBondContact O-N 3.43Å; R87-L91 VanDerWaalsContact O-N 3.11Å; Q88-L91 PolarHBondContact O-N 3.23Å; L91-T94 PolarHBondContact O-N 2.67Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 2.72Å
92H87.3Confident87.2Confident122 Ų122102.1 Ų102.157%0.56555%0.549SS*.Hα-helixtrans-64.5-46.6178.7-76.2-60.3000112.4Q88 E89 L95 I96Q88-H92 PolarHBondContact O-CD2 3.05Å; Q88-H92 PolarHBondContact O-N 3.04Å; E89-H92 PolarHBondContact O-N 3.29Å; H92-L95 PolarHBondContact O-N 3.46Å; H92-I96 VanDerWaalsContact O-CG1 3.25Å; H92-I96 WeakPolarHBondContact O-CG1 2.93Å; H92-I96 PolarHBondContact O-N 3.05Å
93T88.9Confident88.1Confident82 Ų82102.2 Ų102.250%0.50355%0.55SS..Hα-helixtrans-63.5-42.1177.3490000111.6E89 T90 I96 V97E89-T93 WeakPolarHBondContact O-CB 3.38Å; E89-T93 WeakPolarHBondContact O-CG2 3.39Å; E89-T93 PolarHBondContact O-N 3.41Å; E89-T93 PolarHBondContact O-OG1 3.39Å; T90-T93 WeakPolarHBondContact CA-OG1 3.36Å; T90-T93 PolarHBondContact O-OG1 3.31Å; T90-T93 VanDerWaalsContact O-OG1 3.11Å; T93-I96 PolarHBondContact O-N 2.76Å; T93-V97 VanDerWaalsContact O-CG2 3.25Å; T93-V97 WeakPolarHBondContact O-CG2 3.26Å; T93-V97 PolarHBondContact O-N 2.77Å
94T92.5Very high89.2Confident84 Ų8499.2 Ų99.252%0.51553%0.534SS..Hα-helixtrans-64.2-42.1176.3-55.30000111.9T90 L91 V97 A98T90-T94 VanDerWaalsContact O-CB 3.22Å; T90-T94 WeakPolarHBondContact O-CB 3.45Å; T90-T94 PolarHBondContact O-N 3.41Å; T90-T94 PolarHBondContact O-OG1 3.22Å; L91-T94 PolarHBondContact O-N 2.67Å; T94-V97 PolarHBondContact O-N 3.37Å; T94-A98 WeakPolarHBondContact O-CB 3.38Å; T94-A98 PolarHBondContact O-N 2.69Å
95L92.4Very high90.1Very high115 Ų11594.2 Ų94.260%0.60253%0.526SS*.Hα-helixtrans-63.9-42.4176.6-81.9169.8000112.2L91 H92 A98 A99L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 2.72Å; H92-L95 PolarHBondContact O-N 3.46Å; L95-A98 PolarHBondContact O-N 2.72Å; L95-A99 WeakPolarHBondContact O-CB 3.45Å; L95-A99 PolarHBondContact O-N 2.97Å
96I92.3Very high91Very high109 Ų10996.8 Ų96.856%0.55954%0.536SS*.Hα-helixtrans-61.4-46.9175.9-69.7165.3000110.1H92 T93 A98 A99 V100H92-I96 VanDerWaalsContact O-CG1 3.25Å; H92-I96 WeakPolarHBondContact O-CG1 2.93Å; H92-I96 PolarHBondContact O-N 3.05Å; T93-I96 PolarHBondContact O-N 2.76Å; I96-A98 PolarHBondContact O-N 3.07Å; I96-A99 PolarHBondContact O-N 3.02Å; I96-V100 HydrophobicContact CG2-CG2 4.39Å; I96-V100 VanDerWaalsContact O-CG2 3.29Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 3.48Å
97V93.4Very high91.5Very high91 Ų9196.7 Ų96.755%0.55253%0.531SS*.Hα-helixtrans-64-40.9179.2173.70000111.4T93 T94 T101T93-V97 VanDerWaalsContact O-CG2 3.25Å; T93-V97 WeakPolarHBondContact O-CG2 3.26Å; T93-V97 PolarHBondContact O-N 2.77Å; T94-V97 PolarHBondContact O-N 3.37Å; V97-T101 HydrophobicContact CG1-CG2 4.47Å; V97-T101 WeakPolarHBondContact O-CB 3.48Å; V97-T101 WeakPolarHBondContact O-CG2 3.37Å; V97-T101 PolarHBondContact O-N 3.26Å; V97-T101 PolarHBondContact O-OG1 2.94Å
98A94.7Very high91.8Very high51 Ų5190.8 Ų90.842%0.42152%0.516SS..Hα-helixtrans-64.8-41.217600000112.2T94 L95 I96 T101 A102T94-A98 WeakPolarHBondContact O-CB 3.38Å; T94-A98 PolarHBondContact O-N 2.69Å; L95-A98 PolarHBondContact O-N 2.72Å; I96-A98 PolarHBondContact O-N 3.07Å; A98-T101 WeakPolarHBondContact CA-OG1 3.44Å; A98-T101 PolarHBondContact O-OG1 3.04Å; A98-A102 WeakPolarHBondContact O-CB 3.15Å; A98-A102 PolarHBondContact O-N 3.23Å
99A94.6Very high92.2Very high55 Ų5593.8 Ų93.846%0.45552%0.521SS..Hα-helixtrans-66-45.2177.200000111.8L95 I96 A102 V103L95-A99 WeakPolarHBondContact O-CB 3.45Å; L95-A99 PolarHBondContact O-N 2.97Å; I96-A99 PolarHBondContact O-N 3.02Å; A99-A102 PolarHBondContact O-N 3.15Å; A99-V103 VanDerWaalsContact O-CG2 3.31Å; A99-V103 WeakPolarHBondContact O-CG2 3.09Å; A99-V103 PolarHBondContact O-N 2.95Å
100V96Very high92.4Very high84 Ų8490.3 Ų90.351%0.50951%0.513SS..Hα-helixtrans-64.8-42.3179.1172.40000111.3I96 V103 M104I96-V100 HydrophobicContact CG2-CG2 4.39Å; I96-V100 VanDerWaalsContact O-CG2 3.29Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 3.48Å; V100-V103 PolarHBondContact O-N 3.15Å; V100-M104 WeakPolarHBondContact O-CB 3.39Å; V100-M104 PolarHBondContact O-N 3.15Å
101T96Very high92.4Very high78 Ų7891.7 Ų91.748%0.47952%0.518SS..Hα-helixtrans-65.9-38.2177.147.60000112V97 A98 S105V97-T101 HydrophobicContact CG1-CG2 4.47Å; V97-T101 WeakPolarHBondContact O-CB 3.48Å; V97-T101 WeakPolarHBondContact O-CG2 3.37Å; V97-T101 PolarHBondContact O-N 3.26Å; V97-T101 PolarHBondContact O-OG1 2.94Å; A98-T101 WeakPolarHBondContact CA-OG1 3.44Å; A98-T101 PolarHBondContact O-OG1 3.04Å; T101-S105 WeakPolarHBondContact O-CB 3.25Å; T101-S105 PolarHBondContact O-N 3.22Å; T101-S105 PolarHBondContact O-OG 3.35Å
102A96Very high91.9Very high60 Ų6091 Ų9150%0.49652%0.515SS..Hα-helixtrans-64-45.2173.900000112.6A98 A99 S105 L106A98-A102 WeakPolarHBondContact O-CB 3.15Å; A98-A102 PolarHBondContact O-N 3.23Å; A99-A102 PolarHBondContact O-N 3.15Å; A102-S105 PolarHBondContact O-N 3.02Å; A102-L106 PolarHBondContact O-N 3.01Å; A102-L106 VanDerWaalsContact O-N 3.08Å
103V95.7Very high91.4Very high83 Ų8387.3 Ų87.350%0.50351%0.51SS..Hα-helixtrans-63.6-45.3177.91720000111.3A99 V100 S105 L106 I107A99-V103 VanDerWaalsContact O-CG2 3.31Å; A99-V103 WeakPolarHBondContact O-CG2 3.09Å; A99-V103 PolarHBondContact O-N 2.95Å; V100-V103 PolarHBondContact O-N 3.15Å; V103-S105 VanDerWaalsContact C-N 3.34Å; V103-S105 PolarHBondContact O-N 3.41Å; V103-L106 PolarHBondContact O-N 3.42Å; V103-I107 HydrophobicContact CG1-CD1 3.91Å; V103-I107 WeakPolarHBondContact O-CG1 3.39Å; V103-I107 PolarHBondContact O-N 2.94Å
104M95.2Very high90.9Very high99 Ų9988.2 Ų88.249%0.48851%0.51SS..Hα-helixtrans-62.6-40.5176.6-79.6-62.7111.400112.3V100 L106 I107 L108V100-M104 WeakPolarHBondContact O-CB 3.39Å; V100-M104 PolarHBondContact O-N 3.15Å; M104-L106 VanDerWaalsContact C-N 3.32Å; M104-L106 PolarHBondContact O-N 2.8Å; M104-I107 HydrophobicContact CE-CD1 3.63Å; M104-I107 PolarHBondContact O-N 3.3Å; M104-L108 WeakPolarHBondContact O-CG 3.29Å; M104-L108 PolarHBondContact O-N 3.27Å
105S93.1Very high90Very high76 Ų7689 Ų8953%0.53151%0.511SS..Hα-helixtrans-62.2-39.8177.2-580000112T101 A102 V103 W109T101-S105 WeakPolarHBondContact O-CB 3.25Å; T101-S105 PolarHBondContact O-N 3.22Å; T101-S105 PolarHBondContact O-OG 3.35Å; A102-S105 PolarHBondContact O-N 3.02Å; V103-S105 VanDerWaalsContact C-N 3.34Å; V103-S105 PolarHBondContact O-N 3.41Å; S105-W109 WeakPolarHBondContact O-CB 3.46Å; S105-W109 PolarHBondContact O-N 2.72Å
106L93.5Very high88.9Confident122 Ų12286.7 Ų86.764%0.63950%0.502SS*.Hα-helixtrans-68.6-40.4178.3-163.1153.1000111.9A102 V103 M104 W109 G110A102-L106 PolarHBondContact O-N 3.01Å; A102-L106 VanDerWaalsContact O-N 3.08Å; V103-L106 PolarHBondContact O-N 3.42Å; M104-L106 VanDerWaalsContact C-N 3.32Å; M104-L106 PolarHBondContact O-N 2.8Å; L106-W109 PolarHBondContact O-N 3.45Å; L106-G110 PolarHBondContact O-N 2.75Å
107I92Very high87.6Confident76 Ų7691 Ų9139%0.3951%0.511SS..Hα-helixtrans-63.6-46.4175.8-70.7167.9000110.9V103 M104 G110 L111V103-I107 HydrophobicContact CG1-CD1 3.91Å; V103-I107 WeakPolarHBondContact O-CG1 3.39Å; V103-I107 PolarHBondContact O-N 2.94Å; M104-I107 HydrophobicContact CE-CD1 3.63Å; M104-I107 PolarHBondContact O-N 3.3Å; I107-G110 PolarHBondContact O-N 3.5Å; I107-L111 HydrophobicContact CG2-CD1 3.75Å; I107-L111 HydrophobicContact CG2-CG 4.29Å; I107-L111 WeakPolarHBondContact O-CB 3.46Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 3.16Å
108L91.4Very high86Confident101 Ų10192 Ų9253%0.52951%0.512SS..Hα-helixtrans-62.4-45.1178-71.3174.7000111.4M104 G110 L111 D112M104-L108 WeakPolarHBondContact O-CG 3.29Å; M104-L108 PolarHBondContact O-N 3.27Å; L108-G110 VanDerWaalsContact C-N 3.32Å; L108-G110 PolarHBondContact O-N 2.92Å; L108-L111 PolarHBondContact O-N 3.08Å; L108-D112 WeakPolarHBondContact O-CB 3.48Å; L108-D112 PolarHBondContact O-N 2.86Å
109W91Very high84.4Confident206 Ų20692.1 Ų92.178%0.7851%0.513SS*.Hα-helixtrans-58.9-41.8176.2-176.172.3000112.6S105 L106 G113S105-W109 WeakPolarHBondContact O-CB 3.46Å; S105-W109 PolarHBondContact O-N 2.72Å; L106-W109 PolarHBondContact O-N 3.45Å; W109-G113 PolarHBondContact O-N 2.69Å
110G86.8Confident83Confident31 Ų3192.7 Ų92.732%0.3251%0.506SS..Hα-helixtrans-68.1-43.6176.400000113.5L106 I107 L108 G113 I114L106-G110 PolarHBondContact O-N 2.75Å; I107-G110 PolarHBondContact O-N 3.5Å; L108-G110 VanDerWaalsContact C-N 3.32Å; L108-G110 PolarHBondContact O-N 2.92Å; G110-G113 PolarHBondContact O-N 2.74Å; G110-I114 WeakPolarHBondContact O-CG1 3.49Å; G110-I114 PolarHBondContact O-N 3.34Å; G110-I114 VanDerWaalsContact O-N 3.16Å
111L87.1Confident81.6Confident88 Ų8890.7 Ų90.746%0.46150%0.496SS..Hα-helixtrans-65.8-44.4178.9-75.8174000111.8I107 L108 G113 I114 L115I107-L111 HydrophobicContact CG2-CD1 3.75Å; I107-L111 HydrophobicContact CG2-CG 4.29Å; I107-L111 WeakPolarHBondContact O-CB 3.46Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 3.16Å; L108-L111 PolarHBondContact O-N 3.08Å; L111-G113 VanDerWaalsContact C-N 3.33Å; L111-G113 PolarHBondContact O-N 2.8Å; L111-I114 PolarHBondContact O-N 3.26Å; L111-L115 VanDerWaalsContact O-CB 3.27Å; L111-L115 WeakPolarHBondContact O-CB 3.42Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.39Å
112D79.7Confident80.5Confident99 Ų9989 Ų8953%0.52949%0.494SS..Hα-helixtrans-60.7-42.9177.4-77.6-17.4000111.1L108 I114 L115 V116L108-D112 WeakPolarHBondContact O-CB 3.48Å; L108-D112 PolarHBondContact O-N 2.86Å; D112-I114 PolarHBondContact O-N 3.37Å; D112-L115 PolarHBondContact O-N 3.34Å; D112-V116 VanDerWaalsContact O-CB 3.29Å; D112-V116 WeakPolarHBondContact O-CB 3.49Å; D112-V116 WeakPolarHBondContact O-CG2 3.45Å; D112-V116 PolarHBondContact O-N 3.09Å
113G77.2Confident79.8Confident43 Ų4388.3 Ų88.344%0.44348%0.48SS..Hα-helixtrans-61.4-41176.800000113.5W109 G110 L111 R117W109-G113 PolarHBondContact O-N 2.69Å; G110-G113 PolarHBondContact O-N 2.74Å; L111-G113 VanDerWaalsContact C-N 3.33Å; L111-G113 PolarHBondContact O-N 2.8Å; G113-R117 PolarHBondContact O-N 2.91Å
114I78.1Confident79.2Confident101 Ų10184.6 Ų84.652%0.51846%0.457SS..Hα-helixtrans-71.4-44.9177.5-68167.4000110.9G110 L111 D112 R117 L118G110-I114 WeakPolarHBondContact O-CG1 3.49Å; G110-I114 PolarHBondContact O-N 3.34Å; G110-I114 VanDerWaalsContact O-N 3.16Å; L111-I114 PolarHBondContact O-N 3.26Å; D112-I114 PolarHBondContact O-N 3.37Å; I114-R117 PolarHBondContact O-N 2.99Å; I114-L118 HydrophobicContact CG2-CD1 3.61Å; I114-L118 HydrophobicContact CG2-CG 4.37Å; I114-L118 WeakPolarHBondContact O-CB 3.44Å; I114-L118 WeakPolarHBondContact O-CG 3.16Å; I114-L118 PolarHBondContact O-N 3.08Å
115L73.6Confident78.7Confident102 Ų10281.9 Ų81.953%0.53445%0.454SS..Hα-helixtrans-62.3-42.6179-85.5162000111.6L111 D112 L118 A119L111-L115 VanDerWaalsContact O-CB 3.27Å; L111-L115 WeakPolarHBondContact O-CB 3.42Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.39Å; D112-L115 PolarHBondContact O-N 3.34Å; L115-L118 PolarHBondContact O-N 3.32Å; L115-A119 WeakPolarHBondContact O-CA 3.5Å; L115-A119 WeakPolarHBondContact O-CB 3.38Å; L115-A119 PolarHBondContact O-N 3.48Å
116V69.8Low78.4Confident66 Ų6685.1 Ų85.140%0.445%0.454SS..Hα-helixtrans-57.9-50.3174.6161.90000110.2D112 L118 A119 F120 M195D112-V116 VanDerWaalsContact O-CB 3.29Å; D112-V116 WeakPolarHBondContact O-CB 3.49Å; D112-V116 WeakPolarHBondContact O-CG2 3.45Å; D112-V116 PolarHBondContact O-N 3.09Å; V116-L118 PolarHBondContact O-N 3.27Å; V116-A119 PolarHBondContact O-N 3.07Å; V116-F120 HydrophobicContact CG1-CD2 3.93Å; V116-F120 HydrophobicContact CG1-CE2 3.88Å; V116-F120 WeakPolarHBondContact O-CD2 3.33Å; V116-F120 PolarHBondContact O-N 3.41Å; V116-M195 HydrophobicContact CG1-SD 4.3Å
117R65.5Low78.2Confident200 Ų20080 Ų8076%0.75543%0.428SS*.Hα-helixtrans-62.3-42.1-179.4-170.4177.7-81157.3-6.2112.2G113 I114G113-R117 PolarHBondContact O-N 2.91Å; I114-R117 PolarHBondContact O-N 2.99Å
118L60.1Low78.2Confident110 Ų11076.4 Ų76.458%0.57641%0.41SS*.Hα-helixtrans-68.6-44.8177-73.9166.3000112.1I114 L115 V116 F120 S121I114-L118 HydrophobicContact CG2-CD1 3.61Å; I114-L118 HydrophobicContact CG2-CG 4.37Å; I114-L118 WeakPolarHBondContact O-CB 3.44Å; I114-L118 WeakPolarHBondContact O-CG 3.16Å; I114-L118 PolarHBondContact O-N 3.08Å; L115-L118 PolarHBondContact O-N 3.32Å; V116-L118 PolarHBondContact O-N 3.27Å; L118-F120 VanDerWaalsContact C-N 3.32Å; L118-F120 PolarHBondContact O-N 3.24Å; L118-S121 PolarHBondContact O-N 3.05Å; L118-S121 PolarHBondContact O-OG 2.98Å
119A60Low78.2Confident54 Ų5474.8 Ų74.845%0.44640%0.404SS..Hα-helixtrans-60.8-39.5-176.300000111.7L115 V116 F123L115-A119 WeakPolarHBondContact O-CA 3.5Å; L115-A119 WeakPolarHBondContact O-CB 3.38Å; L115-A119 PolarHBondContact O-N 3.48Å; V116-A119 PolarHBondContact O-N 3.07Å; A119-F123 WeakPolarHBondContact O-CD2 3.04Å; A119-F123 WeakPolarHBondContact O-CE2 3.31Å
120F65.1Low78.3Confident68 Ų6866.4 Ų66.430%0.29838%0.377SS..Hα-helixtrans-79.5-19.1-177.6-68.3-66.3000114.4V116 L118 G122 F123 R193V116-F120 HydrophobicContact CG1-CD2 3.93Å; V116-F120 HydrophobicContact CG1-CE2 3.88Å; V116-F120 WeakPolarHBondContact O-CD2 3.33Å; V116-F120 PolarHBondContact O-N 3.41Å; L118-F120 VanDerWaalsContact C-N 3.32Å; L118-F120 PolarHBondContact O-N 3.24Å; F120-G122 PolarHBondContact O-N 2.92Å; F120-F123 PolarHBondContact O-N 2.95Å; F120-R193 HydrophobicContact CD1-CB 3.83Å; F120-R193 HydrophobicContact CD1-CG 4.25Å; F120-R193 HydrophobicContact CE1-CB 3.86Å; F120-R193 HydrophobicContact CE1-CG 3.97Å
121S66.2Low78.6Confident42 Ų4265.1 Ų65.129%0.29436%0.363SS..THydrogen-bonded Turntrans-69.912.9-177.169.30000117.1L118 E124 K168L118-S121 PolarHBondContact O-N 3.05Å; L118-S121 PolarHBondContact O-OG 2.98Å; S121-E124 WeakPolarHBondContact CA-OE1 3.27Å; S121-K168 PolarHBondContact O-NZ 3.28Å
122G73.6Confident78.9Confident43 Ų4366.2 Ų66.244%0.44336%0.361SS..THydrogen-bonded Turntrans-120.1-9.9176.300000114.3F120 E124F120-G122 PolarHBondContact O-N 2.92Å; G122-E124 WeakPolarHBondContact CA-OE2 3.4Å; G122-E124 PolarHBondContact N-OE2 3.01Å
123F80.4Confident79.5Confident45 Ų4566.5 Ų66.520%0.19736%0.359CS..  trans-105.32.2-165.2-66.8-85.5000114.8A119 F120 G125 R126 V127A119-F123 WeakPolarHBondContact O-CD2 3.04Å; A119-F123 WeakPolarHBondContact O-CE2 3.31Å; F120-F123 PolarHBondContact O-N 2.95Å; F123-G125 PolarHBondContact O-N 2.82Å; F123-R126 CarbonylContact O-C 3.55Å; F123-R126 WeakPolarHBondContact O-CA 3.38Å; F123-R126 WeakPolarHBondContact O-CB 3.28Å; F123-R126 PolarHBondContact O-N 3.48Å; F123-V127 WeakPolarHBondContact O-CG2 3.45Å; F123-V127 PolarHBondContact O-N 2.77Å
124E83.1Confident80.2Confident5 Ų566.8 Ų66.82%0.02335%0.349CS..Hα-helixtrans-56.2-43.8-173.7-53.388.7151.500112.5S121 G122 R126 V127 A128 V149 K168 G172 V174S121-E124 WeakPolarHBondContact CA-OE1 3.27Å; G122-E124 WeakPolarHBondContact CA-OE2 3.4Å; G122-E124 PolarHBondContact N-OE2 3.01Å; E124-R126 VanDerWaalsContact C-N 3.32Å; E124-R126 PolarHBondContact O-N 3.41Å; E124-V127 PolarHBondContact O-N 3.49Å; E124-A128 WeakPolarHBondContact O-CB 3.29Å; E124-A128 PolarHBondContact O-N 3.06Å; E124-V149 HydrophobicContact CB-CG1 3.95Å; E124-K168 IonicContact OE1-NZ 2.57Å; E124-K168 WeakPolarHBondContact OE2-CE 3.11Å; E124-K168 IonicContact OE2-NZ 3.71Å; E124-K168 PolarHBondContact OE2-NZ 3.33Å; E124-G172 WeakPolarHBondContact OE1-CA 3.35Å; E124-G172 PolarHBondContact OE1-N 3.32Å; E124-V174 HydrophobicContact CB-CG2 4.06Å
125G84.9Confident80.9Confident41 Ų4162.5 Ų62.542%0.42333%0.327SS..Hα-helixtrans-64.5-35.317600000113.2F123 T129F123-G125 PolarHBondContact O-N 2.82Å; G125-T129 PolarHBondContact O-N 3.39Å; G125-T129 PolarHBondContact O-OG1 2.82Å
126R87.7Confident81.8Confident144 Ų14463.9 Ų63.954%0.54333%0.329SS..Hα-helixtrans-70.3-42172.7-85.2-176.2-84.4-176.5-10111.3F123 E124 A128 T129 S130F123-R126 CarbonylContact O-C 3.55Å; F123-R126 WeakPolarHBondContact O-CA 3.38Å; F123-R126 WeakPolarHBondContact O-CB 3.28Å; F123-R126 PolarHBondContact O-N 3.48Å; E124-R126 VanDerWaalsContact C-N 3.32Å; E124-R126 PolarHBondContact O-N 3.41Å; R126-A128 PolarHBondContact O-N 3.18Å; R126-T129 PolarHBondContact O-N 2.87Å; R126-S130 WeakPolarHBondContact O-CB 3.4Å; R126-S130 PolarHBondContact O-N 3.42Å; R126-S130 PolarHBondContact O-OG 3.03Å
127V90.1Very high82.9Confident14 Ų1467 Ų679%0.08534%0.343CS..Hα-helixtrans-60.2-45.2175.6171.50000110.9F123 E124 T129 S130 L131 V174 R193 V194F123-V127 WeakPolarHBondContact O-CG2 3.45Å; F123-V127 PolarHBondContact O-N 2.77Å; E124-V127 PolarHBondContact O-N 3.49Å; V127-T129 VanDerWaalsContact C-N 3.29Å; V127-T129 PolarHBondContact O-N 3.19Å; V127-S130 PolarHBondContact O-N 3Å; V127-L131 VanDerWaalsContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CB 3.44Å; V127-L131 PolarHBondContact O-N 2.97Å; V127-V174 HydrophobicContact CG1-CG2 4.35Å; V127-R193 HydrophobicContact CG2-CB 3.92Å; V127-V194 HydrophobicContact CG1-CG2 3.54Å
128A90.4Very high84.2Confident2 Ų262.5 Ų62.52%0.01733%0.33CS..Hα-helixtrans-60.7-38.7176.600000112.2E124 R126 R132 V147 V149 V174E124-A128 WeakPolarHBondContact O-CB 3.29Å; E124-A128 PolarHBondContact O-N 3.06Å; R126-A128 PolarHBondContact O-N 3.18Å; A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 2.64Å; A128-R132 PolarHBondContact O-NH1 3.49Å; A128-V147 HydrophobicContact CB-CG1 3.86Å; A128-V149 HydrophobicContact CB-CG2 3.72Å; A128-V174 HydrophobicContact CB-CG1 4.39Å
129T92Very high85.6Confident66 Ų6663.9 Ų63.941%0.40534%0.338SS..Hα-helixtrans-69.2-49.4176.6-52.40000111.3G125 R126 V127 L131 R132 E133G125-T129 PolarHBondContact O-N 3.39Å; G125-T129 PolarHBondContact O-OG1 2.82Å; R126-T129 PolarHBondContact O-N 2.87Å; V127-T129 VanDerWaalsContact C-N 3.29Å; V127-T129 PolarHBondContact O-N 3.19Å; T129-L131 VanDerWaalsContact C-N 3.32Å; T129-L131 PolarHBondContact O-N 3.37Å; T129-R132 PolarHBondContact O-N 3.21Å; T129-E133 WeakPolarHBondContact O-CG 3.43Å; T129-E133 PolarHBondContact O-N 3.23Å
130S92.6Very high87Confident31 Ų3162.8 Ų62.822%0.21732%0.324CS..Hα-helixtrans-62.3-37177.8-62.90000112.6R126 V127 E133 H134R126-S130 WeakPolarHBondContact O-CB 3.4Å; R126-S130 PolarHBondContact O-N 3.42Å; R126-S130 PolarHBondContact O-OG 3.03Å; V127-S130 PolarHBondContact O-N 3Å; S130-E133 PolarHBondContact O-N 2.92Å; S130-H134 PolarHBondContact O-CD2 3.17Å; S130-H134 VanDerWaalsContact O-CD2 3.23Å; S130-H134 PolarHBondContact O-N 2.85Å
131L92.7Very high88.1Confident4 Ų465.1 Ų65.12%0.02134%0.336CS..Hα-helixtrans-61.7-46.3175.1-179.963000110.8V127 T129 E133 H134 I135 V147 V176 L187 V188 V191V127-L131 VanDerWaalsContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CB 3.44Å; V127-L131 PolarHBondContact O-N 2.97Å; T129-L131 VanDerWaalsContact C-N 3.32Å; T129-L131 PolarHBondContact O-N 3.37Å; L131-E133 VanDerWaalsContact C-N 3.33Å; L131-E133 PolarHBondContact O-N 2.73Å; L131-H134 PolarHBondContact O-N 3.3Å; L131-I135 HydrophobicContact CD1-CD1 4.23Å; L131-I135 HydrophobicContact CD1-CG1 4.45Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CD1 3.41Å; L131-I135 WeakPolarHBondContact O-CG1 3.39Å; L131-I135 PolarHBondContact O-N 2.84Å; L131-V147 HydrophobicContact CD2-CG1 4.11Å; L131-V147 HydrophobicContact CD2-CG2 3.98Å; L131-V147 HydrophobicContact CG-CG2 4.49Å; L131-V176 HydrophobicContact CD2-CB 4.46Å; L131-V176 HydrophobicContact CD2-CG1 4.12Å; L131-V176 HydrophobicContact CD2-CG2 3.5Å; L131-L187 HydrophobicContact CD1-CD2 3.82Å; L131-V188 HydrophobicContact CD1-CG2 3.97Å; L131-V191 HydrophobicContact CB-CG2 4.39Å; L131-V191 HydrophobicContact CD1-CG2 3.69Å
132R93.3Very high89.4Confident110 Ų11070.8 Ų70.842%0.41536%0.363SS..Hα-helixtrans-60.8-40.8175.2-68.9-179.2-158.9111.1-3.8112.2A128 T129 I135 K136 V147A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 2.64Å; A128-R132 PolarHBondContact O-NH1 3.49Å; T129-R132 PolarHBondContact O-N 3.21Å; R132-I135 PolarHBondContact O-N 3.36Å; R132-K136 WeakPolarHBondContact O-CG 3.17Å; R132-K136 PolarHBondContact O-N 2.93Å; R132-K136 VanDerWaalsContact O-N 3.16Å; R132-V147 HydrophobicContact CG-CB 4.39Å; R132-V147 HydrophobicContact CG-CG2 4.28Å; R132-V147 PolarHBondContact NH2-O 3.21Å
133E93.4Very high90.2Very high105 Ų10570.8 Ų70.849%0.49135%0.352SS..Hα-helixtrans-63-44.8175.4-70.9171.6174.100112T129 S130 L131 I135 K136 L137T129-E133 WeakPolarHBondContact O-CG 3.43Å; T129-E133 PolarHBondContact O-N 3.23Å; S130-E133 PolarHBondContact O-N 2.92Å; L131-E133 VanDerWaalsContact C-N 3.33Å; L131-E133 PolarHBondContact O-N 2.73Å; E133-I135 PolarHBondContact O-N 3.17Å; E133-K136 WeakPolarHBondContact O-CB 3.46Å; E133-K136 PolarHBondContact O-N 3.49Å; E133-L137 VanDerWaalsContact O-CG 3.31Å; E133-L137 WeakPolarHBondContact O-CG 3.35Å; E133-L137 PolarHBondContact O-N 3.26Å
134H91.8Very high90.8Very high49 Ų4969.6 Ų69.623%0.22735%0.347CS..Hα-helixtrans-64.3-39178.1-88.7-106.4000112.9S130 L131 K136 L137 H138 L187 V191S130-H134 PolarHBondContact O-CD2 3.17Å; S130-H134 VanDerWaalsContact O-CD2 3.23Å; S130-H134 PolarHBondContact O-N 2.85Å; L131-H134 PolarHBondContact O-N 3.3Å; H134-K136 VanDerWaalsContact C-N 3.32Å; H134-L137 PolarHBondContact O-N 3.21Å; H134-H138 PolarHBondContact O-N 3.41Å; H134-H138 VanDerWaalsContact O-N 3.14Å; H134-H138 PolarHBondContact O-ND1 2.82Å; H134-L187 HydrophobicContact CB-CD2 4.26Å; H134-L187 HydrophobicContact CB-CG 4.46Å; H134-V191 HydrophobicContact CB-CG2 4.16Å
135I92.8Very high91.1Very high12 Ų1271.5 Ų71.56%0.06237%0.368CS..Hα-helixtrans-59.6-45.4175.4-68.2161.8000110.1L131 R132 E133 H138 N139 M140 E141 F144 V147 L187L131-I135 HydrophobicContact CD1-CD1 4.23Å; L131-I135 HydrophobicContact CD1-CG1 4.45Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CD1 3.41Å; L131-I135 WeakPolarHBondContact O-CG1 3.39Å; L131-I135 PolarHBondContact O-N 2.84Å; R132-I135 PolarHBondContact O-N 3.36Å; E133-I135 PolarHBondContact O-N 3.17Å; I135-H138 PolarHBondContact O-N 2.81Å; I135-N139 PolarHBondContact O-N 3.3Å; I135-M140 PolarHBondContact O-N 2.91Å; I135-M140 VanDerWaalsContact O-N 3.17Å; I135-E141 HydrophobicContact CG2-CG 4.24Å; I135-F144 HydrophobicContact CB-CD2 4.44Å; I135-F144 HydrophobicContact CD1-CB 3.72Å; I135-F144 HydrophobicContact CD1-CD1 3.57Å; I135-F144 HydrophobicContact CD1-CD2 4.03Å; I135-F144 HydrophobicContact CD1-CE1 4.14Å; I135-F144 HydrophobicContact CD1-CG 3.5Å; I135-F144 VanDerWaalsContact CD1-CG 3.5Å; I135-F144 HydrophobicContact CG1-CB 4.26Å; I135-F144 HydrophobicContact CG1-CD1 4.05Å; I135-F144 HydrophobicContact CG1-CD2 3.71Å; I135-F144 HydrophobicContact CG1-CE1 4.3Å; I135-F144 HydrophobicContact CG1-CE2 3.99Å; I135-F144 HydrophobicContact CG1-CG 3.75Å; I135-F144 HydrophobicContact CG1-CZ 4.27Å; I135-F144 HydrophobicContact CG2-CB 4.04Å; I135-F144 HydrophobicContact CG2-CD2 3.92Å; I135-F144 HydrophobicContact CG2-CG 4.18Å; I135-V147 HydrophobicContact CD1-CG2 4.5Å; I135-L187 HydrophobicContact CG1-CD2 3.94Å
136K93.1Very high91.2Very high130 Ų13074.9 Ų74.957%0.56537%0.373SS*.Hα-helixtrans-62.2-46.3175.9-71.6-178.4174.3-1710112.2R132 E133 H134 H138 N139 E141R132-K136 WeakPolarHBondContact O-CG 3.17Å; R132-K136 PolarHBondContact O-N 2.93Å; R132-K136 VanDerWaalsContact O-N 3.16Å; E133-K136 WeakPolarHBondContact O-CB 3.46Å; E133-K136 PolarHBondContact O-N 3.49Å; H134-K136 VanDerWaalsContact C-N 3.32Å; K136-H138 VanDerWaalsContact C-N 3.28Å; K136-H138 PolarHBondContact O-N 2.96Å; K136-N139 PolarHBondContact O-N 3.13Å; K136-N139 VanDerWaalsContact O-N 3.16Å; K136-N139 PolarHBondContact O-OD1 3.12Å; K136-E141 WeakPolarHBondContact CG-OE1 3.49Å
137L93.2Very high91.4Very high132 Ų13268.4 Ų68.469%0.69135%0.349SS*.Hα-helixtrans-62.9-32.4-178-73.7170000113.5E133 H134E133-L137 VanDerWaalsContact O-CG 3.31Å; E133-L137 WeakPolarHBondContact O-CG 3.35Å; E133-L137 PolarHBondContact O-N 3.26Å; H134-L137 PolarHBondContact O-N 3.21Å
138H91.3Very high91.2Very high105 Ų10569.7 Ų69.749%0.48636%0.355SS..THydrogen-bonded Turntrans-93.64.3179.2-67.378.7000113.3H134 I135 K136 M140 L187H134-H138 PolarHBondContact O-N 3.41Å; H134-H138 VanDerWaalsContact O-N 3.14Å; H134-H138 PolarHBondContact O-ND1 2.82Å; I135-H138 PolarHBondContact O-N 2.81Å; K136-H138 VanDerWaalsContact C-N 3.28Å; K136-H138 PolarHBondContact O-N 2.96Å; H138-M140 HydrophobicContact CB-CE 3.53Å; H138-M140 HydrophobicContact CB-CG 4.29Å; H138-M140 PolarHBondContact O-N 3.29Å; H138-L187 HydrophobicContact CB-CD1 3.9Å
139N90.8Very high91.2Very high140 Ų14071.4 Ų71.475%0.74937%0.365SS*.THydrogen-bonded Turntrans51.639.3-176.4-59-39.3000113.3I135 K136I135-N139 PolarHBondContact O-N 3.3Å; K136-N139 PolarHBondContact O-N 3.13Å; K136-N139 VanDerWaalsContact O-N 3.16Å; K136-N139 PolarHBondContact O-OD1 3.12Å
140M88.2Confident90.8Very high31 Ų3168.6 Ų68.615%0.15335%0.348CS..  trans-104.927.6-179.4-73-164.7-85.200112.7I135 H138 D142 L143 F144 A183 L187I135-M140 PolarHBondContact O-N 2.91Å; I135-M140 VanDerWaalsContact O-N 3.17Å; H138-M140 HydrophobicContact CB-CE 3.53Å; H138-M140 HydrophobicContact CB-CG 4.29Å; H138-M140 PolarHBondContact O-N 3.29Å; M140-D142 PolarHBondContact O-N 3.07Å; M140-L143 HydrophobicContact CB-CD1 4.23Å; M140-L143 HydrophobicContact CG-CD1 4.15Å; M140-L143 PolarHBondContact O-N 2.91Å; M140-L143 HydrophobicContact SD-CD1 3.87Å; M140-F144 HydrophobicContact CB-CD2 4.37Å; M140-F144 HydrophobicContact CB-CE2 4.34Å; M140-F144 WeakPolarHBondContact O-CD2 3.38Å; M140-A183 HydrophobicContact SD-CB 4.08Å; M140-L187 HydrophobicContact CE-CB 3.95Å; M140-L187 HydrophobicContact CE-CD1 3.18Å; M140-L187 HydrophobicContact CE-CG 4.17Å
141E89.2Confident90.2Very high116 Ų11669.3 Ų69.354%0.54235%0.351SS..G310 helixtrans-57.5-33.3-178.1-63.5-171.7170.800112.5I135 K136 L143 F144I135-E141 HydrophobicContact CG2-CG 4.24Å; K136-E141 WeakPolarHBondContact CG-OE1 3.49Å; E141-L143 PolarHBondContact O-N 2.84Å; E141-F144 PolarHBondContact O-N 3.28Å
142D92.5Very high89.4Confident161 Ų16170.7 Ų70.786%0.86136%0.357SS*.G310 helixtrans-65.4-21.5178.7-58.4-34.3000113.8M140M140-D142 PolarHBondContact O-N 3.07Å
143L91.8Very high88.4Confident44 Ų4471 Ų7123%0.2336%0.364CS..G310 helixtrans-93.8-12.9-177.9-64.1172.6000113M140 E141 M178 V179 N181M140-L143 HydrophobicContact CB-CD1 4.23Å; M140-L143 HydrophobicContact CG-CD1 4.15Å; M140-L143 PolarHBondContact O-N 2.91Å; M140-L143 HydrophobicContact SD-CD1 3.87Å; E141-L143 PolarHBondContact O-N 2.84Å; L143-M178 CarbonylContact O-C 3.5Å; L143-M178 VanDerWaalsContact O-CA 3.24Å; L143-M178 WeakPolarHBondContact O-CA 3.37Å; L143-V179 HydrophobicContact CD2-CB 4.06Å; L143-V179 HydrophobicContact CD2-CG1 4.37Å; L143-V179 PolarHBondContact O-N 2.9Å; L143-N181 VanDerWaalsContact CD1-ND2 3.28Å; L143-N181 WeakPolarHBondContact CD1-ND2 3.41Å; L143-N181 WeakPolarHBondContact CD2-ND2 3.41Å
144F92.3Very high87.4Confident20 Ų2067.7 Ų67.79%0.08835%0.35CS..EExtended strand (participates in β ladder)trans-122.3126.5-174.8-72.3-90.6000110.7I135 M140 E141 V176 M178 L187 V188I135-F144 HydrophobicContact CB-CD2 4.44Å; I135-F144 HydrophobicContact CD1-CB 3.72Å; I135-F144 HydrophobicContact CD1-CD1 3.57Å; I135-F144 HydrophobicContact CD1-CD2 4.03Å; I135-F144 HydrophobicContact CD1-CE1 4.14Å; I135-F144 HydrophobicContact CD1-CG 3.5Å; I135-F144 VanDerWaalsContact CD1-CG 3.5Å; I135-F144 HydrophobicContact CG1-CB 4.26Å; I135-F144 HydrophobicContact CG1-CD1 4.05Å; I135-F144 HydrophobicContact CG1-CD2 3.71Å; I135-F144 HydrophobicContact CG1-CE1 4.3Å; I135-F144 HydrophobicContact CG1-CE2 3.99Å; I135-F144 HydrophobicContact CG1-CG 3.75Å; I135-F144 HydrophobicContact CG1-CZ 4.27Å; I135-F144 HydrophobicContact CG2-CB 4.04Å; I135-F144 HydrophobicContact CG2-CD2 3.92Å; I135-F144 HydrophobicContact CG2-CG 4.18Å; M140-F144 HydrophobicContact CB-CD2 4.37Å; M140-F144 HydrophobicContact CB-CE2 4.34Å; M140-F144 WeakPolarHBondContact O-CD2 3.38Å; E141-F144 PolarHBondContact O-N 3.28Å; F144-V176 HydrophobicContact CD1-CG1 4.02Å; F144-V176 HydrophobicContact CE1-CG1 4.41Å; F144-M178 HydrophobicContact CD1-CB 3.61Å; F144-M178 HydrophobicContact CD1-CE 4.38Å; F144-M178 HydrophobicContact CE1-CB 3.8Å; F144-M178 HydrophobicContact CE1-CE 3.83Å; F144-M178 HydrophobicContact CE1-CG 4.45Å; F144-M178 HydrophobicContact CE1-SD 3.88Å; F144-M178 HydrophobicContact CG-CB 4.3Å; F144-M178 HydrophobicContact CZ-SD 4.48Å; F144-L187 HydrophobicContact CE2-CD2 4.23Å; F144-L187 HydrophobicContact CZ-CD2 3.84Å; F144-V188 HydrophobicContact CE1-CG2 3.62Å; F144-V188 HydrophobicContact CZ-CG2 3.89Å
145G88.4Confident86.3Confident44 Ų4469.4 Ų69.445%0.45436%0.364SS..EExtended strand (participates in β ladder)trans-92.5-130.717200000111.6Q177G145-Q177 PolarHBondContact N-O 3.27Å
146E88.8Confident85Confident112 Ų11273.1 Ų73.152%0.52338%0.381SS..EExtended strand (participates in β ladder)trans-76.9136.7-176.5-156.7178.2177.200113.5M148 Q177E146-M148 VanDerWaalsContact CD-SD 3.6Å; E146-M148 HydrophobicContact CG-CG 3.72Å; E146-M148 HydrophobicContact CG-SD 4.38Å; E146-M148 WeakPolarHBondContact OE1-CG 3.44Å; E146-Q177 PolarHBondContact O-N 3.13Å
147V91.2Very high84Confident9 Ų972.9 Ų72.96%0.05539%0.385CS..EExtended strand (participates in β ladder)trans-110.8112.7170.9177.50000108A128 L131 R132 I135 V174 L175 V176A128-V147 HydrophobicContact CB-CG1 3.86Å; L131-V147 HydrophobicContact CD2-CG1 4.11Å; L131-V147 HydrophobicContact CD2-CG2 3.98Å; L131-V147 HydrophobicContact CG-CG2 4.49Å; R132-V147 HydrophobicContact CG-CB 4.39Å; R132-V147 HydrophobicContact CG-CG2 4.28Å; R132-V147 PolarHBondContact NH2-O 3.21Å; I135-V147 HydrophobicContact CD1-CG2 4.5Å; V147-V174 HydrophobicContact CG1-CG1 3.88Å; V147-L175 WeakPolarHBondContact CA-O 3.44Å; V147-V176 HydrophobicContact CG1-CG2 4.29Å; V147-V176 HydrophobicContact CG2-CG1 3.98Å; V147-V176 HydrophobicContact CG2-CG2 4.4Å
148M86.2Confident82.5Confident41 Ų4175.9 Ų75.920%0.20239%0.387CS..EExtended strand (participates in β ladder)trans-122.1144.9-175.3-65.6-169.7-86.100112.5E146 V174 L175 V213 M217E146-M148 VanDerWaalsContact CD-SD 3.6Å; E146-M148 HydrophobicContact CG-CG 3.72Å; E146-M148 HydrophobicContact CG-SD 4.38Å; E146-M148 WeakPolarHBondContact OE1-CG 3.44Å; M148-V174 WeakPolarHBondContact O-CG1 3.31Å; M148-L175 HydrophobicContact CB-CB 4.41Å; M148-L175 PolarHBondContact N-O 3.23Å; M148-L175 PolarHBondContact O-N 3.47Å; M148-V213 HydrophobicContact CE-CG1 4.19Å; M148-M217 HydrophobicContact SD-CE 4.32Å; M148-M217 HydrophobicContact SD-SD 4.49Å
149V89Confident81.2Confident38 Ų3875 Ų7523%0.2341%0.405CS..  trans-112.3120.8171.2-175.50000107.9E124 A128 T151 V174E124-V149 HydrophobicContact CB-CG1 3.95Å; A128-V149 HydrophobicContact CB-CG2 3.72Å; V149-T151 HydrophobicContact CG1-CG2 4.01Å; V149-T151 PolarHBondContact O-N 3.01Å; V149-V174 HydrophobicContact CG2-CG1 4.45Å; V149-V174 HydrophobicContact CG2-CG2 4.41Å
150P85.1Confident80.3Confident6 Ų671.6 Ų71.64%0.03940%0.404CS..  trans-73.791.9-176.628.9-34.1000111.5F169 F170 L220P150-F169 PolarHBondContact O-N 3.16Å; P150-F170 HydrophobicContact CB-CD2 4.34Å; P150-F170 HydrophobicContact CG-CB 4.07Å; P150-F170 HydrophobicContact CG-CD2 4.18Å; P150-L220 HydrophobicContact CB-CD1 4.12Å
151T80.1Confident79.5Confident47 Ų4777.6 Ų77.629%0.28843%0.432SS..EExtended strand (participates in β ladder)trans-113.9149.4176.756.30000112.1V149 R167 K168V149-T151 HydrophobicContact CG1-CG2 4.01Å; V149-T151 PolarHBondContact O-N 3.01Å; T151-R167 CarbonylContact C-O 3.53Å; T151-R167 WeakPolarHBondContact CA-O 3.03Å; T151-K168 HydrophobicContact CG2-CG 3.97Å
152E75.8Confident78.7Confident33 Ų3382.1 Ų82.115%0.15444%0.444CS..EExtended strand (participates in β ladder)trans-111127176.7179.8-173.1-177.400108.2V154 E166 R167 V223E152-V154 HydrophobicContact CG-CG1 4.11Å; E152-V154 PolarHBondContact O-N 2.88Å; E152-E166 CarbonylContact O-C 3.52Å; E152-E166 WeakPolarHBondContact O-CA 3.5Å; E152-R167 WeakPolarHBondContact CB-O 3.44Å; E152-R167 PolarHBondContact N-O 3.5Å; E152-R167 PolarHBondContact O-N 2.81Å; E152-V223 WeakPolarHBondContact OE1-CG1 3.49Å
153E71.2Confident77.8Confident117 Ų11782.9 Ų82.955%0.54744%0.435SS..EExtended strand (participates in β ladder)trans-75.7115.3171.4-73.4-169.6-162.100109.9K164E153-K164 IonicContact OE2-NZ 2.7Å; E153-K164 PolarHBondContact OE2-NZ 3.24Å
154V71.8Confident77Confident34 Ų3487.8 Ų87.821%0.20645%0.454CS..EExtended strand (participates in β ladder)trans-111.9134.6173.2-64.10000110.3E152 E156 S165 R167E152-V154 HydrophobicContact CG-CG1 4.11Å; E152-V154 PolarHBondContact O-N 2.88Å; V154-E156 HydrophobicContact CG2-CG 4.41Å; V154-E156 PolarHBondContact O-N 3.3Å; V154-S165 WeakPolarHBondContact CG2-O 3.42Å; V154-S165 PolarHBondContact N-O 2.98Å; V154-S165 PolarHBondContact O-N 3.26Å; V154-R167 HydrophobicContact CG1-CB 4.14Å; V154-R167 HydrophobicContact CG2-CB 4.03Å
155V70.4Confident75.9Confident85 Ų8588.8 Ų88.852%0.51546%0.463SS..EExtended strand (participates in β ladder)trans-88.7105.9173.7-1760000108.7R162 K164V155-R162 HydrophobicContact CG1-CB 3.77Å; V155-R162 HydrophobicContact CG1-CG 3.93Å; V155-K164 HydrophobicContact CG2-CG 4.44Å
156E65.3Low75.3Confident90 Ų9092.9 Ų92.942%0.42147%0.471SS..EExtended strand (participates in β ladder)trans-92.3123172.2-68.5-172.9173.200109.8V154 R158 R163V154-E156 HydrophobicContact CG2-CG 4.41Å; V154-E156 PolarHBondContact O-N 3.3Å; E156-R158 PolarHBondContact O-N 3.3Å; E156-R163 PolarHBondContact N-O 3.43Å; E156-R163 PolarHBondContact O-N 3.28Å
157I71.2Confident74.7Confident125 Ų12595.5 Ų95.564%0.64148%0.476SS*.EExtended strand (participates in β ladder)trans-85.2107.6168.8-59.6168.5000107.1R162I157-R162 HydrophobicContact CG1-CG 3.94Å
158R61.3Low73.9Confident196 Ų19698.3 Ų98.374%0.7449%0.487SS*.EExtended strand (participates in β ladder)trans-124.1112.9177.1-147.5176.7-175.3172.40108.4E156 Q161E156-R158 PolarHBondContact O-N 3.3Å; R158-Q161 PolarHBondContact N-O 3.16Å; R158-Q161 VanDerWaalsContact N-O 3.15Å
159G65.6Low73.3Confident85 Ų85100 Ų10088%0.87649%0.494SS*.THydrogen-bonded Turntrans67.732.5-176.900000114.3Q161G159-Q161 PolarHBondContact O-N 2.68Å
160G70.3Confident72.8Confident70 Ų70102.3 Ų102.372%0.72250%0.501SS*.THydrogen-bonded Turntrans80.9-12.1178.800000115.4
161Q72.6Confident72.6Confident157 Ų157105.5 Ų105.573%0.73452%0.522SS*.EExtended strand (participates in β ladder)trans-92.7131.8171.2-70.8-173.3-17.100111R158 G159 R163R158-Q161 PolarHBondContact N-O 3.16Å; R158-Q161 VanDerWaalsContact N-O 3.15Å; G159-Q161 PolarHBondContact O-N 2.68Å; Q161-R163 PolarHBondContact O-N 3.49Å
162R72.9Confident72.7Confident210 Ų210105.4 Ų105.479%0.79253%0.53SS*.EExtended strand (participates in β ladder)trans-71.8107.7170.1-75.6-175.6-78.5-176.2-3.4108.4V155 I157V155-R162 HydrophobicContact CG1-CB 3.77Å; V155-R162 HydrophobicContact CG1-CG 3.93Å; I157-R162 HydrophobicContact CG1-CG 3.94Å
163R73.3Confident73.3Confident178 Ų178109.3 Ų109.367%0.67254%0.544SS*.EExtended strand (participates in β ladder)trans-104.1119.9173.2-169.7174.4-178.3172.10.8108.8E156 Q161 S165E156-R163 PolarHBondContact N-O 3.43Å; E156-R163 PolarHBondContact O-N 3.28Å; Q161-R163 PolarHBondContact O-N 3.49Å; R163-S165 PolarHBondContact O-N 3.3Å
164K73.8Confident74.1Confident147 Ų147105.7 Ų105.764%0.63953%0.53SS*.EExtended strand (participates in β ladder)trans-66.7120.6165.5-65.3-172.4169.3-154.10107.9E153 V155E153-K164 IonicContact OE2-NZ 2.7Å; E153-K164 PolarHBondContact OE2-NZ 3.24Å; V155-K164 HydrophobicContact CG2-CG 4.44Å
165S70.8Confident75Confident40 Ų40105.8 Ų105.828%0.2853%0.529SS..EExtended strand (participates in β ladder)trans-121.8140.6176.8-1760000107V154 R163V154-S165 WeakPolarHBondContact CG2-O 3.42Å; V154-S165 PolarHBondContact N-O 2.98Å; V154-S165 PolarHBondContact O-N 3.26Å; R163-S165 PolarHBondContact O-N 3.3Å
166E74.6Confident76Confident131 Ų131103.8 Ų103.861%0.61252%0.517SS*.EExtended strand (participates in β ladder)trans-95.5123178-70174-158.100109.4E152E152-E166 CarbonylContact O-C 3.52Å; E152-E166 WeakPolarHBondContact O-CA 3.5Å
167R75.5Confident77.2Confident166 Ų166104.9 Ų104.963%0.62652%0.522SS*.EExtended strand (participates in β ladder)trans-101.7128.1173.7-173.2179.1-176.5-172.50.1109.6T151 E152 V154 F169T151-R167 CarbonylContact C-O 3.53Å; T151-R167 WeakPolarHBondContact CA-O 3.03Å; E152-R167 WeakPolarHBondContact CB-O 3.44Å; E152-R167 PolarHBondContact N-O 3.5Å; E152-R167 PolarHBondContact O-N 2.81Å; V154-R167 HydrophobicContact CG1-CB 4.14Å; V154-R167 HydrophobicContact CG2-CB 4.03Å; R167-F169 PolarHBondContact O-N 3.36Å
168K74.6Confident78.2Confident68 Ų68100.8 Ų100.830%0.29650%0.501SS..EExtended strand (participates in β ladder)trans-76.3123.5178.3-58.1170-170169.90109.9S121 E124 T151S121-K168 PolarHBondContact O-NZ 3.28Å; E124-K168 IonicContact OE1-NZ 2.57Å; E124-K168 WeakPolarHBondContact OE2-CE 3.11Å; E124-K168 IonicContact OE2-NZ 3.71Å; E124-K168 PolarHBondContact OE2-NZ 3.33Å; T151-K168 HydrophobicContact CG2-CG 3.97Å
169F74.2Confident79.7Confident77 Ų7795.5 Ų95.534%0.33849%0.49SS..SBendtrans-75.8-33.9178.4-172-101.8000111.4P150 R167 R219 L220P150-F169 PolarHBondContact O-N 3.16Å; R167-F169 PolarHBondContact O-N 3.36Å; F169-R219 HydrophobicContact CZ-CG 4.46Å; F169-L220 HydrophobicContact CB-CD2 3.41Å; F169-L220 VanDerWaalsContact CB-CD2 3.41Å; F169-L220 HydrophobicContact CD1-CD2 4.07Å; F169-L220 HydrophobicContact CD2-CD2 3.96Å; F169-L220 HydrophobicContact CG-CD2 3.57Å
170F78.4Confident80.8Confident86 Ų8696 Ų9638%0.37747%0.471SS..SBendtrans-124.585.3171.3-64.1-61.8000110.5P150 G172 Y173 I216P150-F170 HydrophobicContact CB-CD2 4.34Å; P150-F170 HydrophobicContact CG-CB 4.07Å; P150-F170 HydrophobicContact CG-CD2 4.18Å; F170-G172 PolarHBondContact O-N 2.94Å; F170-Y173 HydrophobicContact CB-CD2 3.88Å; F170-Y173 HydrophobicContact CB-CG 4.16Å; F170-Y173 PolarHBondContact O-N 3.34Å; F170-I216 HydrophobicContact CE2-CG2 4.05Å
171P80.4Confident81.7Confident74 Ų7495.3 Ų95.348%0.48145%0.45SS..THydrogen-bonded Turntrans-61.8128.2176.626.4-33000110Y173P171-Y173 WeakPolarHBondContact O-CD2 3.45Å
172G83.2Confident82.5Confident44 Ų4494.2 Ų94.245%0.45445%0.449SS..THydrogen-bonded Turntrans96.5-0.1-179.700000115.8E124 F170E124-G172 WeakPolarHBondContact OE1-CA 3.35Å; E124-G172 PolarHBondContact OE1-N 3.32Å; F170-G172 PolarHBondContact O-N 2.94Å
173Y87.4Confident83.4Confident116 Ų11686.7 Ų86.746%0.45543%0.432SS..  trans-115.1140.3-174.9-64.8-101000111.9F170 P171 I198F170-Y173 HydrophobicContact CB-CD2 3.88Å; F170-Y173 HydrophobicContact CB-CG 4.16Å; F170-Y173 PolarHBondContact O-N 3.34Å; P171-Y173 WeakPolarHBondContact O-CD2 3.45Å; Y173-I198 HydrophobicContact CD1-CD1 3.31Å; Y173-I198 HydrophobicContact CE1-CD1 3.19Å; Y173-I198 HydrophobicContact CE1-CG1 4.01Å
174V89.1Confident84.2Confident41 Ų4178.2 Ų78.225%0.24840%0.4CS..  trans-129.8129.1173-177.40000107.4E124 V127 A128 V147 M148 V149 V176E124-V174 HydrophobicContact CB-CG2 4.06Å; V127-V174 HydrophobicContact CG1-CG2 4.35Å; A128-V174 HydrophobicContact CB-CG1 4.39Å; V147-V174 HydrophobicContact CG1-CG1 3.88Å; M148-V174 WeakPolarHBondContact O-CG1 3.31Å; V149-V174 HydrophobicContact CG2-CG1 4.45Å; V149-V174 HydrophobicContact CG2-CG2 4.41Å; V174-V176 HydrophobicContact CG1-CG2 4.07Å
175L89.9Confident85Confident35 Ų3572.5 Ų72.518%0.18337%0.374CS..EExtended strand (participates in β ladder)trans-89.6129.8176.1-65.1169.3000108.3V147 M148 I208V147-L175 WeakPolarHBondContact CA-O 3.44Å; M148-L175 HydrophobicContact CB-CB 4.41Å; M148-L175 PolarHBondContact N-O 3.23Å; M148-L175 PolarHBondContact O-N 3.47Å; L175-I208 HydrophobicContact CD2-CD1 4.35Å
176V91.4Very high86Confident44 Ų4476.1 Ų76.127%0.26739%0.386SS..EExtended strand (participates in β ladder)trans-135.1121.6-179.2-174.10000109.2L131 F144 V147 V174 M178L131-V176 HydrophobicContact CD2-CB 4.46Å; L131-V176 HydrophobicContact CD2-CG1 4.12Å; L131-V176 HydrophobicContact CD2-CG2 3.5Å; F144-V176 HydrophobicContact CD1-CG1 4.02Å; F144-V176 HydrophobicContact CE1-CG1 4.41Å; V147-V176 HydrophobicContact CG1-CG2 4.29Å; V147-V176 HydrophobicContact CG2-CG1 3.98Å; V147-V176 HydrophobicContact CG2-CG2 4.4Å; V174-V176 HydrophobicContact CG1-CG2 4.07Å; V176-M178 HydrophobicContact CB-CE 3.64Å; V176-M178 HydrophobicContact CG1-CB 4.46Å; V176-M178 HydrophobicContact CG1-CE 3.36Å; V176-M178 HydrophobicContact CG2-CE 4.5Å
177Q91.9Very high86.8Confident113 Ų11370.1 Ų70.153%0.52836%0.359SS..EExtended strand (participates in β ladder)trans-82121.8168.3-168.3-179.821.300108.5G145 E146G145-Q177 PolarHBondContact N-O 3.27Å; E146-Q177 PolarHBondContact O-N 3.13Å
178M91.7Very high87.6Confident39 Ų3962.6 Ų62.619%0.19233%0.331CS..EExtended strand (participates in β ladder)trans-153.4157.317873.2-176.97500111.5L143 F144 V176 V188 F197L143-M178 CarbonylContact O-C 3.5Å; L143-M178 VanDerWaalsContact O-CA 3.24Å; L143-M178 WeakPolarHBondContact O-CA 3.37Å; F144-M178 HydrophobicContact CD1-CB 3.61Å; F144-M178 HydrophobicContact CD1-CE 4.38Å; F144-M178 HydrophobicContact CE1-CB 3.8Å; F144-M178 HydrophobicContact CE1-CE 3.83Å; F144-M178 HydrophobicContact CE1-CG 4.45Å; F144-M178 HydrophobicContact CE1-SD 3.88Å; F144-M178 HydrophobicContact CG-CB 4.3Å; F144-M178 HydrophobicContact CZ-SD 4.48Å; V176-M178 HydrophobicContact CB-CE 3.64Å; V176-M178 HydrophobicContact CG1-CB 4.46Å; V176-M178 HydrophobicContact CG1-CE 3.36Å; V176-M178 HydrophobicContact CG2-CE 4.5Å; M178-V188 HydrophobicContact CE-CG2 3.58Å; M178-V188 HydrophobicContact SD-CG2 3.95Å; M178-F197 HydrophobicContact CE-CE1 3.75Å; M178-F197 HydrophobicContact CE-CZ 4.21Å; M178-F197 HydrophobicContact SD-CE1 4.03Å; M178-F197 HydrophobicContact SD-CZ 4.1Å
179V91.5Very high88.3Confident84 Ų8465.4 Ų65.451%0.50934%0.34SS..  trans-81.1123.4165-179.30000108.4L143 N181 S184L143-V179 HydrophobicContact CD2-CB 4.06Å; L143-V179 HydrophobicContact CD2-CG1 4.37Å; L143-V179 PolarHBondContact O-N 2.9Å; V179-N181 PolarHBondContact O-N 3.36Å; V179-S184 PolarHBondContact O-OG 2.82Å
180M88.7Confident89.1Confident97 Ų9764.9 Ų64.948%0.47835%0.346SS..  trans-75.9105.8-179.7-168.264.956.400110.4W185 P205M180-W185 HydrophobicContact SD-CB 4.32Å; M180-P205 HydrophobicContact CE-CG 3.29Å; M180-P205 HydrophobicContact SD-CG 3.88Å
181N89.4Confident89.7Confident54 Ų5460.9 Ų60.929%0.28933%0.329SS..  trans-138.3167.1169.266.126000109.2L143 V179 A183 S184 W185L143-N181 VanDerWaalsContact CD1-ND2 3.28Å; L143-N181 WeakPolarHBondContact CD1-ND2 3.41Å; L143-N181 WeakPolarHBondContact CD2-ND2 3.41Å; V179-N181 PolarHBondContact O-N 3.36Å; N181-A183 PolarHBondContact O-N 2.75Å; N181-A183 PolarHBondContact OD1-N 3.35Å; N181-S184 PolarHBondContact N-OG 3.27Å; N181-S184 VanDerWaalsContact N-OG 3.11Å; N181-S184 PolarHBondContact O-N 2.93Å; N181-S184 PolarHBondContact O-OG 3.14Å; N181-S184 VanDerWaalsContact O-OG 3.13Å; N181-S184 WeakPolarHBondContact OD1-CA 3.49Å; N181-S184 WeakPolarHBondContact OD1-CB 3.34Å; N181-S184 PolarHBondContact OD1-N 3.2Å; N181-S184 PolarHBondContact OD1-OG 3.2Å; N181-W185 VanDerWaalsContact O-CB 3.3Å; N181-W185 WeakPolarHBondContact O-CB 3.42Å; N181-W185 PolarHBondContact O-N 2.84Å
182D90.2Very high90.1Very high135 Ų13560.6 Ų60.672%0.72233%0.327SS*.Hα-helixtrans-59.3-37.5-176-64.4-22.1000111.5H186D182-H186 WeakPolarHBondContact O-CB 3.47Å; D182-H186 PolarHBondContact O-CD2 3.36Å; D182-H186 PolarHBondContact O-N 3.39Å
183A91.4Very high90.2Very high51 Ų5163.9 Ų63.942%0.42133%0.325SS..Hα-helixtrans-67.6-45.8-179.700000113.4M140 N181 H186 L187M140-A183 HydrophobicContact SD-CB 4.08Å; N181-A183 PolarHBondContact O-N 2.75Å; N181-A183 PolarHBondContact OD1-N 3.35Å; A183-H186 PolarHBondContact O-N 3.41Å; A183-L187 WeakPolarHBondContact O-CB 3.3Å; A183-L187 PolarHBondContact O-N 3.39Å
184S91.3Very high90.2Very high0 Ų060.1 Ų60.10%031%0.314CS..Hα-helixtrans-68.8-39.3179.367.80000110.6V179 N181 L187 V188V179-S184 PolarHBondContact O-OG 2.82Å; N181-S184 PolarHBondContact N-OG 3.27Å; N181-S184 VanDerWaalsContact N-OG 3.11Å; N181-S184 PolarHBondContact O-N 2.93Å; N181-S184 PolarHBondContact O-OG 3.14Å; N181-S184 VanDerWaalsContact O-OG 3.13Å; N181-S184 WeakPolarHBondContact OD1-CA 3.49Å; N181-S184 WeakPolarHBondContact OD1-CB 3.34Å; N181-S184 PolarHBondContact OD1-N 3.2Å; N181-S184 PolarHBondContact OD1-OG 3.2Å; S184-L187 PolarHBondContact O-N 3.4Å; S184-V188 VanDerWaalsContact O-CG2 3.31Å; S184-V188 WeakPolarHBondContact O-CG2 3.5Å; S184-V188 PolarHBondContact O-N 2.61Å
185W90.3Very high89.9Confident28 Ų2864.8 Ų64.811%0.10634%0.335CS..Hα-helixtrans-62.5-46.7173.8-177.695.8000111.8M180 N181 L187 V188 R189 F197 S202M180-W185 HydrophobicContact SD-CB 4.32Å; N181-W185 VanDerWaalsContact O-CB 3.3Å; N181-W185 WeakPolarHBondContact O-CB 3.42Å; N181-W185 PolarHBondContact O-N 2.84Å; W185-L187 VanDerWaalsContact C-N 3.35Å; W185-L187 PolarHBondContact O-N 3.35Å; W185-V188 PolarHBondContact O-N 3.1Å; W185-R189 HydrophobicContact CD2-CG 4.49Å; W185-R189 VanDerWaalsContact CZ2-CD 3.42Å; W185-R189 WeakPolarHBondContact O-CG 3.43Å; W185-R189 PolarHBondContact O-N 3.28Å; W185-R189 VanDerWaalsContact O-N 3.15Å; W185-F197 AromaticContact CD1-CD2 3.68Å; W185-F197 AromaticContact CD1-CE2 3.29Å; W185-F197 AromaticContact CG-CE2 3.91Å; W185-F197 HydrophobicContact CG-CE2 3.91Å; W185-F197 AromaticContact NE1-CD2 3.64Å; W185-F197 AromaticContact NE1-CE2 3.67Å; W185-S202 WeakPolarHBondContact CZ2-O 3.41Å; W185-S202 PolarHBondContact NE1-O 2.97Å
186H90.3Very high89.7Confident115 Ų11564.6 Ų64.653%0.53234%0.342SS..Hα-helixtrans-64.3-38.7175.7-83-65.9000112.1D182 A183 R189 S190D182-H186 WeakPolarHBondContact O-CB 3.47Å; D182-H186 PolarHBondContact O-CD2 3.36Å; D182-H186 PolarHBondContact O-N 3.39Å; A183-H186 PolarHBondContact O-N 3.41Å; H186-R189 PolarHBondContact O-N 3.44Å; H186-S190 WeakPolarHBondContact O-CB 3.34Å; H186-S190 PolarHBondContact O-N 2.9Å
187L92.2Very high89.6Confident6 Ų665.6 Ų65.63%0.03134%0.343CS..Hα-helixtrans-60.4-49.8176.8-178.5147.4000111.2L131 H134 I135 H138 M140 F144 A183 S184 W185 R189 S190 V191L131-L187 HydrophobicContact CD1-CD2 3.82Å; H134-L187 HydrophobicContact CB-CD2 4.26Å; H134-L187 HydrophobicContact CB-CG 4.46Å; I135-L187 HydrophobicContact CG1-CD2 3.94Å; H138-L187 HydrophobicContact CB-CD1 3.9Å; M140-L187 HydrophobicContact CE-CB 3.95Å; M140-L187 HydrophobicContact CE-CD1 3.18Å; M140-L187 HydrophobicContact CE-CG 4.17Å; F144-L187 HydrophobicContact CE2-CD2 4.23Å; F144-L187 HydrophobicContact CZ-CD2 3.84Å; A183-L187 WeakPolarHBondContact O-CB 3.3Å; A183-L187 PolarHBondContact O-N 3.39Å; S184-L187 PolarHBondContact O-N 3.4Å; W185-L187 VanDerWaalsContact C-N 3.35Å; W185-L187 PolarHBondContact O-N 3.35Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.33Å; L187-S190 WeakPolarHBondContact O-CB 3.46Å; L187-S190 PolarHBondContact O-N 3.35Å; L187-S190 PolarHBondContact O-OG 2.99Å; L187-V191 PolarHBondContact O-N 3.38Å
188V91.8Very high89.3Confident8 Ų865.7 Ų65.75%0.04835%0.345CS..Hα-helixtrans-63.3-39.7-178.2174.30000111L131 F144 M178 S184 W185 S190 V191 V194 F197L131-V188 HydrophobicContact CD1-CG2 3.97Å; F144-V188 HydrophobicContact CE1-CG2 3.62Å; F144-V188 HydrophobicContact CZ-CG2 3.89Å; M178-V188 HydrophobicContact CE-CG2 3.58Å; M178-V188 HydrophobicContact SD-CG2 3.95Å; S184-V188 VanDerWaalsContact O-CG2 3.31Å; S184-V188 WeakPolarHBondContact O-CG2 3.5Å; S184-V188 PolarHBondContact O-N 2.61Å; W185-V188 PolarHBondContact O-N 3.1Å; V188-S190 VanDerWaalsContact C-N 3.29Å; V188-S190 PolarHBondContact O-N 2.97Å; V188-V191 WeakPolarHBondContact O-CB 3.39Å; V188-V191 PolarHBondContact O-N 3.18Å; V188-V194 HydrophobicContact CG1-CG1 4.15Å; V188-F197 HydrophobicContact CB-CE1 4.32Å; V188-F197 HydrophobicContact CB-CE2 4.22Å; V188-F197 HydrophobicContact CB-CZ 3.57Å; V188-F197 HydrophobicContact CG1-CE1 3.83Å; V188-F197 HydrophobicContact CG1-CE2 4.14Å; V188-F197 HydrophobicContact CG1-CZ 3.48Å; V188-F197 VanDerWaalsContact CG1-CZ 3.48Å; V188-F197 HydrophobicContact CG2-CZ 3.99Å
189R89.8Confident88.8Confident126 Ų12665.8 Ų65.848%0.47536%0.357SS..Hα-helixtrans-69.1-24.7174.8-71.1-168.868.2-173.9-0.1113.8W185 H186 L187 V191 F197W185-R189 HydrophobicContact CD2-CG 4.49Å; W185-R189 VanDerWaalsContact CZ2-CD 3.42Å; W185-R189 WeakPolarHBondContact O-CG 3.43Å; W185-R189 PolarHBondContact O-N 3.28Å; W185-R189 VanDerWaalsContact O-N 3.15Å; H186-R189 PolarHBondContact O-N 3.44Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.33Å; R189-V191 VanDerWaalsContact C-N 3.3Å; R189-F197 HydrophobicContact CG-CE2 4.31Å
190S91.4Very high88.4Confident66 Ų6665 Ų6546%0.46237%0.365SS..Hα-helixtrans-75.5-19.7176.178.40000113H186 L187 V188H186-S190 WeakPolarHBondContact O-CB 3.34Å; H186-S190 PolarHBondContact O-N 2.9Å; L187-S190 WeakPolarHBondContact O-CB 3.46Å; L187-S190 PolarHBondContact O-N 3.35Å; L187-S190 PolarHBondContact O-OG 2.99Å; V188-S190 VanDerWaalsContact C-N 3.29Å; V188-S190 PolarHBondContact O-N 2.97Å
191V90.8Very high88Confident3 Ų364.7 Ų64.72%0.01837%0.369CS..SBendtrans-67.1128.9179.21780000109.6L131 H134 L187 V188 R189 R193 V194L131-V191 HydrophobicContact CB-CG2 4.39Å; L131-V191 HydrophobicContact CD1-CG2 3.69Å; H134-V191 HydrophobicContact CB-CG2 4.16Å; L187-V191 PolarHBondContact O-N 3.38Å; V188-V191 WeakPolarHBondContact O-CB 3.39Å; V188-V191 PolarHBondContact O-N 3.18Å; R189-V191 VanDerWaalsContact C-N 3.3Å; V191-R193 PolarHBondContact O-N 2.87Å; V191-V194 HydrophobicContact CB-CG2 3.85Å; V191-V194 HydrophobicContact CG1-CG2 3.88Å; V191-V194 WeakPolarHBondContact O-CB 3.19Å; V191-V194 PolarHBondContact O-N 2.79Å
192P88.7Confident87.2Confident68 Ų6866.4 Ų66.444%0.44239%0.385SS..THydrogen-bonded Turntrans-60.7142-178.624.8-34.7000111.2V194P192-V194 PolarHBondContact O-N 3.2Å
193R86Confident86.5Confident112 Ų11265.2 Ų65.242%0.42338%0.379SS..THydrogen-bonded Turntrans725.9178.5-46.7157.7-177.5-90.43.9114.7F120 V127 V191F120-R193 HydrophobicContact CD1-CB 3.83Å; F120-R193 HydrophobicContact CD1-CG 4.25Å; F120-R193 HydrophobicContact CE1-CB 3.86Å; F120-R193 HydrophobicContact CE1-CG 3.97Å; V127-R193 HydrophobicContact CG2-CB 3.92Å; V191-R193 PolarHBondContact O-N 2.87Å
194V87.1Confident86Confident37 Ų3772.4 Ų72.422%0.22440%0.395CS..  trans-86.8117.7166.9179.80000108.4V127 V188 V191 P192V127-V194 HydrophobicContact CG1-CG2 3.54Å; V188-V194 HydrophobicContact CG1-CG1 4.15Å; V191-V194 HydrophobicContact CB-CG2 3.85Å; V191-V194 HydrophobicContact CG1-CG2 3.88Å; V191-V194 WeakPolarHBondContact O-CB 3.19Å; V191-V194 PolarHBondContact O-N 2.79Å; P192-V194 PolarHBondContact O-N 3.2Å
195M83.2Confident85.7Confident140 Ų14073.3 Ų73.369%0.6940%0.401SS*.  trans-76.1-35177-73.6-170.4-76.500112.1V116V116-M195 HydrophobicContact CG1-SD 4.3Å
196G85.3Confident85.5Confident31 Ų3174.5 Ų74.532%0.3242%0.417SS..  trans154.1-171.4-177.300000110.9
197F88.8Confident85.4Confident65 Ų6575 Ų7529%0.28543%0.43SS..  trans-88.2157.4176-62.1-85.9000111.1M178 W185 V188 R189 P205M178-F197 HydrophobicContact CE-CE1 3.75Å; M178-F197 HydrophobicContact CE-CZ 4.21Å; M178-F197 HydrophobicContact SD-CE1 4.03Å; M178-F197 HydrophobicContact SD-CZ 4.1Å; W185-F197 AromaticContact CD1-CD2 3.68Å; W185-F197 AromaticContact CD1-CE2 3.29Å; W185-F197 AromaticContact CG-CE2 3.91Å; W185-F197 HydrophobicContact CG-CE2 3.91Å; W185-F197 AromaticContact NE1-CD2 3.64Å; W185-F197 AromaticContact NE1-CE2 3.67Å; V188-F197 HydrophobicContact CB-CE1 4.32Å; V188-F197 HydrophobicContact CB-CE2 4.22Å; V188-F197 HydrophobicContact CB-CZ 3.57Å; V188-F197 HydrophobicContact CG1-CE1 3.83Å; V188-F197 HydrophobicContact CG1-CE2 4.14Å; V188-F197 HydrophobicContact CG1-CZ 3.48Å; V188-F197 VanDerWaalsContact CG1-CZ 3.48Å; V188-F197 HydrophobicContact CG2-CZ 3.99Å; R189-F197 HydrophobicContact CG-CE2 4.31Å; F197-P205 HydrophobicContact CB-CB 3.4Å; F197-P205 VanDerWaalsContact CB-CB 3.4Å; F197-P205 HydrophobicContact CB-CG 3.94Å; F197-P205 HydrophobicContact CD1-CB 4.4Å; F197-P205 HydrophobicContact CD1-CG 4.25Å; F197-P205 HydrophobicContact CD2-CG 4.28Å; F197-P205 HydrophobicContact CG-CB 3.95Å; F197-P205 HydrophobicContact CG-CG 3.92Å
198I86.5Confident85.3Confident114 Ų11479 Ų7959%0.58545%0.451SS*.  trans-105.4139.9177.7-66.8129000109.5Y173Y173-I198 HydrophobicContact CD1-CD1 3.31Å; Y173-I198 HydrophobicContact CE1-CD1 3.19Å; Y173-I198 HydrophobicContact CE1-CG1 4.01Å
199G81Confident85.2Confident42 Ų4281.2 Ų81.243%0.43347%0.467SS..SBendtrans90157.7177.900000113.2P205G199-P205 WeakPolarHBondContact O-CA 3.25Å
200G81.4Confident85.1Confident67 Ų6780.8 Ų80.869%0.69147%0.474SS*.SBendtrans66.7-142.6-179.500000113.6
201T80.5Confident85.1Confident91 Ų9186 Ų8656%0.55849%0.488SS*.BIsolated β-bridgetrans-101.9164.8172.4560000110.2D203 R204T201-D203 PolarHBondContact O-N 3.26Å; T201-R204 PolarHBondContact N-O 3.26Å; T201-R204 VanDerWaalsContact N-O 3.15Å; T201-R204 CarbonylContact O-C 3.31Å; T201-R204 VanDerWaalsContact O-C 3.31Å; T201-R204 PolarHBondContact O-N 3.19Å; T201-R204 VanDerWaalsContact O-N 3.14Å; T201-R204 PolarHBondContact OG1-N 3.05Å
202S73.6Confident85Confident89 Ų8990.8 Ų90.862%0.62251%0.51SS*.THydrogen-bonded Turntrans-51.6-32.6177.351.80000113.3W185W185-S202 WeakPolarHBondContact CZ2-O 3.41Å; W185-S202 PolarHBondContact NE1-O 2.97Å
203D75.8Confident84.8Confident111 Ų11188.8 Ų88.859%0.59450%0.497SS*.THydrogen-bonded Turntrans-96.5-18.7-172.5-47.4-26.3000112.2T201T201-D203 PolarHBondContact O-N 3.26Å
204R79.9Confident84.9Confident201 Ų20187.8 Ų87.876%0.75850%0.5SS*.BIsolated β-bridgetrans-137.190179.9-71.1-172.1175.5174.9-1.1110T201T201-R204 PolarHBondContact N-O 3.26Å; T201-R204 VanDerWaalsContact N-O 3.15Å; T201-R204 CarbonylContact O-C 3.31Å; T201-R204 VanDerWaalsContact O-C 3.31Å; T201-R204 PolarHBondContact O-N 3.19Å; T201-R204 VanDerWaalsContact O-N 3.14Å; T201-R204 PolarHBondContact OG1-N 3.05Å
205P84.6Confident84.9Confident19 Ų1988.8 Ų88.812%0.12351%0.512CS..PPolyproline II helixtrans-69.6149177.330.7-35.4000111.3M180 F197 G199M180-P205 HydrophobicContact CE-CG 3.29Å; M180-P205 HydrophobicContact SD-CG 3.88Å; F197-P205 HydrophobicContact CB-CB 3.4Å; F197-P205 VanDerWaalsContact CB-CB 3.4Å; F197-P205 HydrophobicContact CB-CG 3.94Å; F197-P205 HydrophobicContact CD1-CB 4.4Å; F197-P205 HydrophobicContact CD1-CG 4.25Å; F197-P205 HydrophobicContact CD2-CG 4.28Å; F197-P205 HydrophobicContact CG-CB 3.95Å; F197-P205 HydrophobicContact CG-CG 3.92Å; G199-P205 WeakPolarHBondContact O-CA 3.25Å
206A86.1Confident84.9Confident53 Ų5384 Ų8444%0.43849%0.488SS..PPolyproline II helixtrans-76.7124.2177.400000109.7
207P89.9Confident84.6Confident125 Ų12585.3 Ų85.381%0.81249%0.487SS*.PPolyproline II helixtrans-68.9143.8172.929.6-33.4000110.1
208I89.2Confident84.3Confident92 Ų9286.2 Ų86.247%0.47250%0.495SS..PPolyproline II helixtrans-92.3137.5170.4-60.3175.3000107.1L175 E212 V213L175-I208 HydrophobicContact CD2-CD1 4.35Å; I208-E212 HydrophobicContact CG2-CB 3.61Å; I208-E212 WeakPolarHBondContact CG2-OE2 3.08Å; I208-V213 HydrophobicContact CB-CG2 4.48Å; I208-V213 HydrophobicContact CG2-CG2 3.86Å
209S89.3Confident83.9Confident54 Ų5488.5 Ų88.538%0.37850%0.496SS..PPolyproline II helixtrans-73.3148.4178.464.70000111.5K211 E212 V213S209-K211 PolarHBondContact O-N 2.94Å; S209-K211 VanDerWaalsContact O-N 3.14Å; S209-E212 PolarHBondContact N-OE2 3.49Å; S209-E212 WeakPolarHBondContact O-CB 3.31Å; S209-E212 PolarHBondContact O-N 3.14Å; S209-E212 VanDerWaalsContact OG-CG 3.24Å; S209-E212 WeakPolarHBondContact OG-CG 3.5Å; S209-E212 PolarHBondContact OG-N 3.31Å; S209-E212 PolarHBondContact OG-OE2 3.17Å; S209-V213 PolarHBondContact O-N 3.3Å; S209-V213 VanDerWaalsContact O-N 3.1Å
210D88Confident83.5Confident116 Ų11687.4 Ų87.462%0.6248%0.48SS*.Hα-helixtrans-55.9-35.4178.1-59.3-29.3000111.8E212 V213 D214D210-E212 VanDerWaalsContact C-N 3.31Å; D210-E212 PolarHBondContact O-N 3.49Å; D210-V213 PolarHBondContact O-N 3.3Å; D210-D214 WeakPolarHBondContact O-CB 3.4Å; D210-D214 VanDerWaalsContact O-CG 3.27Å; D210-D214 PolarHBondContact O-N 3.48Å
211K90.7Very high83Confident176 Ų17690.4 Ų90.477%0.76548%0.476SS*.Hα-helixtrans-59.7-37.7174.4-66.5-176.5-179.6179.30113.2S209 A215S209-K211 PolarHBondContact O-N 2.94Å; S209-K211 VanDerWaalsContact O-N 3.14Å; K211-A215 VanDerWaalsContact O-CB 3.32Å; K211-A215 WeakPolarHBondContact O-CB 3.47Å; K211-A215 PolarHBondContact O-N 3.3Å
212E88.8Confident82.2Confident103 Ų10393.8 Ų93.848%0.48149%0.486SS..Hα-helixtrans-74-38.6177.5-73.3163.6146.700111I208 S209 D210 A215 I216I208-E212 HydrophobicContact CG2-CB 3.61Å; I208-E212 WeakPolarHBondContact CG2-OE2 3.08Å; S209-E212 PolarHBondContact N-OE2 3.49Å; S209-E212 WeakPolarHBondContact O-CB 3.31Å; S209-E212 PolarHBondContact O-N 3.14Å; S209-E212 VanDerWaalsContact OG-CG 3.24Å; S209-E212 WeakPolarHBondContact OG-CG 3.5Å; S209-E212 PolarHBondContact OG-N 3.31Å; S209-E212 PolarHBondContact OG-OE2 3.17Å; D210-E212 VanDerWaalsContact C-N 3.31Å; D210-E212 PolarHBondContact O-N 3.49Å; E212-A215 PolarHBondContact O-N 3.44Å; E212-I216 VanDerWaalsContact O-CG1 3.3Å; E212-I216 WeakPolarHBondContact O-CG1 3.08Å; E212-I216 PolarHBondContact O-N 2.86Å
213V85.6Confident81.5Confident26 Ų2692.3 Ų92.316%0.15847%0.473CS..Hα-helixtrans-60.4-48173.2179.10000110.1M148 I208 S209 D210 A215 I216 M217M148-V213 HydrophobicContact CE-CG1 4.19Å; I208-V213 HydrophobicContact CB-CG2 4.48Å; I208-V213 HydrophobicContact CG2-CG2 3.86Å; S209-V213 PolarHBondContact O-N 3.3Å; S209-V213 VanDerWaalsContact O-N 3.1Å; D210-V213 PolarHBondContact O-N 3.3Å; V213-A215 VanDerWaalsContact C-N 3.31Å; V213-A215 PolarHBondContact O-N 3.29Å; V213-I216 WeakPolarHBondContact O-CB 3.44Å; V213-I216 PolarHBondContact O-N 3.43Å; V213-I216 VanDerWaalsContact O-N 3.13Å; V213-M217 WeakPolarHBondContact O-CG 3.32Å; V213-M217 PolarHBondContact O-N 3.16Å
214D87.4Confident80.5Confident92 Ų9289.1 Ų89.149%0.49247%0.466SS..Hα-helixtrans-62.5-37.6176.3-69.9-22.9000112.1D210 I216 M217 N218D210-D214 WeakPolarHBondContact O-CB 3.4Å; D210-D214 VanDerWaalsContact O-CG 3.27Å; D210-D214 PolarHBondContact O-N 3.48Å; D214-I216 VanDerWaalsContact C-N 3.33Å; D214-I216 PolarHBondContact O-N 3.26Å; D214-M217 PolarHBondContact O-N 3.47Å; D214-N218 VanDerWaalsContact O-CB 3.31Å; D214-N218 WeakPolarHBondContact O-CB 3.3Å; D214-N218 VanDerWaalsContact O-CG 3.25Å; D214-N218 PolarHBondContact O-N 2.89Å; D214-N218 PolarHBondContact O-ND2 3.3Å
215A86.6Confident79.3Confident57 Ų5786.8 Ų86.847%0.47147%0.469SS..Hα-helixtrans-64.4-37.9174.800000112.2K211 E212 V213 R219K211-A215 VanDerWaalsContact O-CB 3.32Å; K211-A215 WeakPolarHBondContact O-CB 3.47Å; K211-A215 PolarHBondContact O-N 3.3Å; E212-A215 PolarHBondContact O-N 3.44Å; V213-A215 VanDerWaalsContact C-N 3.31Å; V213-A215 PolarHBondContact O-N 3.29Å; A215-R219 WeakPolarHBondContact O-CB 3.31Å; A215-R219 PolarHBondContact O-N 2.89Å; A215-R219 VanDerWaalsContact O-N 3.12Å
216I83.5Confident77.9Confident39 Ų3994.3 Ų94.320%0.250%0.5CS..Hα-helixtrans-64.4-46.8173.4-67.1163.5000109.6F170 E212 V213 D214 R219 L220F170-I216 HydrophobicContact CE2-CG2 4.05Å; E212-I216 VanDerWaalsContact O-CG1 3.3Å; E212-I216 WeakPolarHBondContact O-CG1 3.08Å; E212-I216 PolarHBondContact O-N 2.86Å; V213-I216 WeakPolarHBondContact O-CB 3.44Å; V213-I216 PolarHBondContact O-N 3.43Å; V213-I216 VanDerWaalsContact O-N 3.13Å; D214-I216 VanDerWaalsContact C-N 3.33Å; D214-I216 PolarHBondContact O-N 3.26Å; I216-R219 PolarHBondContact O-N 3.37Å; I216-L220 HydrophobicContact CG2-CD1 4.4Å; I216-L220 WeakPolarHBondContact O-CG 3.23Å; I216-L220 PolarHBondContact O-N 3.31Å; I216-L220 VanDerWaalsContact O-N 3.08Å
217M79.7Confident76.3Confident60 Ų6097.8 Ų97.830%0.29652%0.518SS..Hα-helixtrans-62.9-45.1179.4-68.7-61.2-7500112.6M148 V213 D214 R219 L220 Q221M148-M217 HydrophobicContact SD-CE 4.32Å; M148-M217 HydrophobicContact SD-SD 4.49Å; V213-M217 WeakPolarHBondContact O-CG 3.32Å; V213-M217 PolarHBondContact O-N 3.16Å; D214-M217 PolarHBondContact O-N 3.47Å; M217-R219 VanDerWaalsContact C-N 3.27Å; M217-R219 PolarHBondContact O-N 3.44Å; M217-L220 WeakPolarHBondContact O-CB 3.27Å; M217-L220 PolarHBondContact O-N 3.23Å; M217-L220 VanDerWaalsContact O-N 3.09Å; M217-L220 HydrophobicContact SD-CD1 4.13Å; M217-Q221 PolarHBondContact O-N 2.97Å
218N82.8Confident74.6Confident83 Ų83101.9 Ų101.944%0.44452%0.517SS..Hα-helixtrans-62-36.4177.1-76.3-32.9000111.6D214 L220 Q221 Q222D214-N218 VanDerWaalsContact O-CB 3.31Å; D214-N218 WeakPolarHBondContact O-CB 3.3Å; D214-N218 VanDerWaalsContact O-CG 3.25Å; D214-N218 PolarHBondContact O-N 2.89Å; D214-N218 PolarHBondContact O-ND2 3.3Å; N218-L220 VanDerWaalsContact C-N 3.35Å; N218-Q221 PolarHBondContact O-N 2.82Å; N218-Q222 WeakPolarHBondContact O-CB 3.24Å; N218-Q222 VanDerWaalsContact O-CG 3.27Å; N218-Q222 WeakPolarHBondContact O-CG 3.42Å; N218-Q222 PolarHBondContact O-N 2.91Å
219R77.5Confident72.9Confident163 Ų163100.2 Ų100.262%0.61551%0.512SS*.Hα-helixtrans-68.2-34.3175.2-173.7173.5-78.5171.7-3.6112.1F169 A215 I216 M217 V223F169-R219 HydrophobicContact CZ-CG 4.46Å; A215-R219 WeakPolarHBondContact O-CB 3.31Å; A215-R219 PolarHBondContact O-N 2.89Å; A215-R219 VanDerWaalsContact O-N 3.12Å; I216-R219 PolarHBondContact O-N 3.37Å; M217-R219 VanDerWaalsContact C-N 3.27Å; M217-R219 PolarHBondContact O-N 3.44Å; R219-V223 WeakPolarHBondContact O-CG2 3.47Å
220L73.4Confident71.3Confident18 Ų18107.9 Ų107.99%0.09454%0.539CS..Hα-helixtrans-66.3-42.2173.5-66.2171.6000111.4P150 F169 I216 M217 N218P150-L220 HydrophobicContact CB-CD1 4.12Å; F169-L220 HydrophobicContact CB-CD2 3.41Å; F169-L220 VanDerWaalsContact CB-CD2 3.41Å; F169-L220 HydrophobicContact CD1-CD2 4.07Å; F169-L220 HydrophobicContact CD2-CD2 3.96Å; F169-L220 HydrophobicContact CG-CD2 3.57Å; I216-L220 HydrophobicContact CG2-CD1 4.4Å; I216-L220 WeakPolarHBondContact O-CG 3.23Å; I216-L220 PolarHBondContact O-N 3.31Å; I216-L220 VanDerWaalsContact O-N 3.08Å; M217-L220 WeakPolarHBondContact O-CB 3.27Å; M217-L220 PolarHBondContact O-N 3.23Å; M217-L220 VanDerWaalsContact O-N 3.09Å; M217-L220 HydrophobicContact SD-CD1 4.13Å; N218-L220 VanDerWaalsContact C-N 3.35Å
221Q69.9Low70Confident130 Ų130105.8 Ų105.861%0.60753%0.53SS*.Hα-helixtrans-73.3-41.1-178.9-69.4179.4-4.700113M217 N218 V223 G224M217-Q221 PolarHBondContact O-N 2.97Å; N218-Q221 PolarHBondContact O-N 2.82Å; Q221-V223 PolarHBondContact O-N 2.82Å; Q221-G224 PolarHBondContact O-N 3.04Å; Q221-G224 VanDerWaalsContact O-N 3.15Å
222Q64.8Low69Low162 Ų162103.5 Ų103.576%0.75753%0.526SS*.Hα-helixtrans-64.9-24.2-177.2-78.4179.67.100114.1N218N218-Q222 WeakPolarHBondContact O-CB 3.24Å; N218-Q222 VanDerWaalsContact O-CG 3.27Å; N218-Q222 WeakPolarHBondContact O-CG 3.42Å; N218-Q222 PolarHBondContact O-N 2.91Å
223V58.5Low68.2Low59 Ų5999 Ų9936%0.35850%0.504SS..Hα-helixtrans-85.1-24.4178.5-177.70000111.6E152 R219 Q221 D225E152-V223 WeakPolarHBondContact OE1-CG1 3.49Å; R219-V223 WeakPolarHBondContact O-CG2 3.47Å; Q221-V223 PolarHBondContact O-N 2.82Å; V223-D225 VanDerWaalsContact C-N 3.33Å; V223-D225 PolarHBondContact O-N 3.45Å
224G53.6Low67.8Low44 Ų44104.2 Ų104.245%0.45453%0.527SS..Hα-helixtrans-67.3-21.5-170.700000116.3Q221Q221-G224 PolarHBondContact O-N 3.04Å; Q221-G224 VanDerWaalsContact O-N 3.15Å
225D55.4Low67.7Low152 Ų152104.2 Ų104.281%0.81353%0.532SS*.THydrogen-bonded Turntrans-89.9-12.3-170.3-98.7-12.8000115.6V223V223-D225 VanDerWaalsContact C-N 3.33Å; V223-D225 PolarHBondContact O-N 3.45Å
226K54.6Low67.4Low177 Ų177104 Ų10477%0.7754%0.535SS*.SBendtrans-128.9107.1178.4-71.9-173.9-179.3-178.20112R228K226-R228 PolarHBondContact O-N 3.34Å; K226-R228 VanDerWaalsContact O-N 3.16Å
227P54.1Low67.1Low126 Ų126104.6 Ų104.682%0.81854%0.537SS*.PPolyproline II helixtrans-62.2119176.125.1-31.8000109.8
228R53.5Low67.1Low210 Ų210104.8 Ų104.879%0.79254%0.538SS*.PPolyproline II helixtrans-80.4127.1173.9-66.4-173.7-177.6-176.10.8109.8K226K226-R228 PolarHBondContact O-N 3.34Å; K226-R228 VanDerWaalsContact O-N 3.16Å
229P53.2Low67Low58 Ų58100.9 Ų100.938%0.37752%0.517SS..PPolyproline II helixtrans-63.8141.7173.323.7-29.6000110.5T231 Y258 F280P229-T231 VanDerWaalsContact C-N 3.29Å; P229-T231 PolarHBondContact O-N 3.43Å; P229-Y258 HydrophobicContact CG-CD1 4.07Å; P229-Y258 HydrophobicContact CG-CE1 4.46Å; P229-F280 HydrophobicContact CB-CD2 4.2Å; P229-F280 HydrophobicContact CB-CE2 4.11Å; P229-F280 HydrophobicContact CG-CE2 4.38Å
230K56Low67.2Low214 Ų21498.2 Ų98.293%0.9351%0.507SS*.SBendtrans-69-25.6-177.5-78.2-177.5177.4176.80113.6
231T59.5Low67.8Low72 Ų7297.3 Ų97.344%0.44250%0.503SS..SBendtrans-122.6124.6-178.449.10000108.6P229 F233P229-T231 VanDerWaalsContact C-N 3.29Å; P229-T231 PolarHBondContact O-N 3.43Å; T231-F233 WeakPolarHBondContact OG1-CE2 3.49Å
232L70.2Confident68.3Low128 Ų12895.5 Ų95.567%0.6750%0.497SS*.  trans-91.9130.4172.6-140.275.9000107.2Y258L232-Y258 HydrophobicContact CD1-CE1 4.05Å; L232-Y258 HydrophobicContact CG-CE1 4.45Å
233F73.5Confident68.9Low8 Ų892.6 Ų92.64%0.03549%0.486CS..  trans-113.5140.4177.7-66.3-78000109.1T231 V239 V256 Y258 L263 F280 V283T231-F233 WeakPolarHBondContact OG1-CE2 3.49Å; F233-V239 HydrophobicContact CD1-CG1 4.42Å; F233-V239 HydrophobicContact CE1-CG1 4.48Å; F233-V256 HydrophobicContact CB-CG1 4.37Å; F233-V256 HydrophobicContact CB-CG2 4.12Å; F233-Y258 PolarHBondContact N-OH 3.36Å; F233-Y258 PolarHBondContact O-OH 2.98Å; F233-L263 HydrophobicContact CB-CD2 3.68Å; F233-L263 HydrophobicContact CD1-CD1 4.13Å; F233-L263 HydrophobicContact CD2-CD1 3.82Å; F233-L263 HydrophobicContact CD2-CD2 3.85Å; F233-L263 HydrophobicContact CD2-CG 4.3Å; F233-L263 HydrophobicContact CE1-CD1 4.13Å; F233-L263 HydrophobicContact CE2-CD1 3.83Å; F233-L263 HydrophobicContact CG-CD1 3.97Å; F233-L263 HydrophobicContact CG-CD2 3.81Å; F233-L263 HydrophobicContact CZ-CD1 3.98Å; F233-F280 HydrophobicContact CD2-CD1 4.2Å; F233-F280 AromaticContact CD2-CD2 3.96Å; F233-F280 HydrophobicContact CD2-CD2 3.96Å; F233-F280 HydrophobicContact CD2-CE1 4.26Å; F233-F280 HydrophobicContact CD2-CE2 4.02Å; F233-F280 HydrophobicContact CD2-CG 4.06Å; F233-F280 HydrophobicContact CD2-CZ 4.18Å; F233-F280 HydrophobicContact CE2-CB 3.94Å; F233-F280 HydrophobicContact CE2-CD1 4.15Å; F233-F280 AromaticContact CE2-CD2 3.81Å; F233-F280 HydrophobicContact CE2-CD2 3.81Å; F233-F280 HydrophobicContact CE2-CE2 4.36Å; F233-F280 AromaticContact CE2-CG 3.7Å; F233-F280 HydrophobicContact CE2-CG 3.7Å; F233-V283 HydrophobicContact CE1-CG1 4.48Å
234E77.1Confident70.1Confident137 Ų13791.3 Ų91.364%0.6449%0.486SS*.  trans-110.3141.1175.9-67.5-172.616800111.2G236 E237E234-G236 PolarHBondContact O-N 3.15Å; E234-E237 VanDerWaalsContact O-CB 3.26Å; E234-E237 WeakPolarHBondContact O-CB 3.29Å; E234-E237 PolarHBondContact O-N 2.89Å; E234-E237 VanDerWaalsContact O-N 3.1Å
235P84Confident71.5Confident92 Ų9295 Ų9560%0.59750%0.502SS*.THydrogen-bonded Turntrans-53.5130.7168-2534.8000111.1V256P235-V256 HydrophobicContact CG-CG2 4.4Å
236G81.5Confident72.9Confident51 Ų5190.7 Ų90.753%0.52648%0.476SS..THydrogen-bonded Turntrans96.8-8.6-175.700000114.6E234 V253E234-G236 PolarHBondContact O-N 3.15Å; G236-V253 PolarHBondContact N-O 3.43Å
237E76.4Confident74.1Confident52 Ų5284 Ų8424%0.24345%0.453CS..  trans-67.7134.9177.4-167.9175.9177.800111.2E234 V239 V253E234-E237 VanDerWaalsContact O-CB 3.26Å; E234-E237 WeakPolarHBondContact O-CB 3.29Å; E234-E237 PolarHBondContact O-N 2.89Å; E234-E237 VanDerWaalsContact O-N 3.1Å; E237-V239 HydrophobicContact CG-CG1 4.23Å; E237-V253 HydrophobicContact CB-CG2 4.37Å; E237-V253 WeakPolarHBondContact O-CG2 3.24Å; E237-V253 PolarHBondContact O-N 3.04Å
238M78.8Confident75.4Confident64 Ų6483.2 Ų83.232%0.31544%0.442SS..EExtended strand (participates in β ladder)trans-81124.9170.1-68.6-84.1-63.700109.6G251 V252 M287M238-G251 WeakPolarHBondContact CA-O 3.43Å; M238-V252 HydrophobicContact CG-CG2 4.47Å; M238-V252 HydrophobicContact SD-CG2 3.41Å; M238-V252 WeakPolarHBondContact SD-CG2 3.5Å; M238-M287 HydrophobicContact CB-CE 3.55Å; M238-M287 HydrophobicContact CB-CG 3.97Å; M238-M287 HydrophobicContact CB-SD 3.61Å; M238-M287 HydrophobicContact CG-CE 3.93Å; M238-M287 HydrophobicContact CG-SD 3.76Å
239V80.9Confident76.9Confident1 Ų177 Ų771%0.00642%0.421CS..EExtended strand (participates in β ladder)trans-127.3151.3-177.3-63.60000111.2F233 E237 N250 G251 V253 V265 V283F233-V239 HydrophobicContact CD1-CG1 4.42Å; F233-V239 HydrophobicContact CE1-CG1 4.48Å; E237-V239 HydrophobicContact CG-CG1 4.23Å; V239-N250 WeakPolarHBondContact O-CA 3.37Å; V239-G251 PolarHBondContact N-O 3.34Å; V239-G251 PolarHBondContact O-N 2.99Å; V239-V253 HydrophobicContact CB-CG2 4.42Å; V239-V253 HydrophobicContact CG1-CG2 3.66Å; V239-V253 HydrophobicContact CG2-CG2 3.86Å; V239-V265 HydrophobicContact CG2-CB 4.48Å; V239-V265 HydrophobicContact CG2-CG1 3.67Å; V239-V265 HydrophobicContact CG2-CG2 3.91Å; V239-V283 HydrophobicContact CB-CG1 3.27Å; V239-V283 HydrophobicContact CG1-CG1 3.81Å; V239-V283 HydrophobicContact CG2-CG1 3.54Å
240R83.1Confident78.4Confident107 Ų10778.4 Ų78.440%0.40443%0.425SS..EExtended strand (participates in β ladder)trans-106.3131.9174.6-179.8175.2178.1170.70.4109.4D248 N250 V283 A284R240-D248 IonicContact CZ-OD1 2.62Å; R240-D248 IonicContact NE-OD1 2.97Å; R240-D248 IonicContact NH2-OD1 3.43Å; R240-D248 PolarHBondContact NH2-OD1 3Å; R240-N250 WeakPolarHBondContact CG-OD1 3.24Å; R240-V283 CarbonylContact O-C 3.57Å; R240-V283 WeakPolarHBondContact O-CA 3.39Å; R240-A284 PolarHBondContact N-O 3.37Å; R240-A284 PolarHBondContact O-N 2.95Å
241V85.2Confident79.7Confident0 Ų068.4 Ų68.40%038%0.383CS..EExtended strand (participates in β ladder)trans-82122.8174.3-171.20000108.3D243 F246 D248 F249 V267 L278V241-D243 VanDerWaalsContact CG1-O 3.25Å; V241-D243 WeakPolarHBondContact CG1-O 3.2Å; V241-F246 VanDerWaalsContact CB-O 3.3Å; V241-F246 WeakPolarHBondContact CB-O 3.37Å; V241-F246 HydrophobicContact CG1-CB 4.35Å; V241-F246 WeakPolarHBondContact CG1-O 3.42Å; V241-D248 PolarHBondContact O-N 2.64Å; V241-F249 PolarHBondContact N-O 3.5Å; V241-V267 HydrophobicContact CG2-CG2 4.39Å; V241-L278 HydrophobicContact CB-CD1 4.27Å; V241-L278 HydrophobicContact CG1-CD1 3.96Å; V241-L278 HydrophobicContact CG1-CD2 4.17Å; V241-L278 HydrophobicContact CG2-CD1 3.37Å
242N80.8Confident81Confident92 Ų9267.6 Ų67.649%0.49238%0.378SS..  trans-100-20.2-179.1-77.3-6.8000113.2Q282 A284N242-Q282 PolarHBondContact N-O 3.38Å; N242-A284 WeakPolarHBondContact ND2-CB 3.36Å
243D77.7Confident81.9Confident100 Ų10061.6 Ų61.654%0.53535%0.347SS..SBendtrans-139.2157.9-172.3-167.418.7000111.4V241 Q282V241-D243 VanDerWaalsContact CG1-O 3.25Å; V241-D243 WeakPolarHBondContact CG1-O 3.2Å; D243-Q282 HydrophobicContact CB-CB 4.32Å; D243-Q282 HydrophobicContact CB-CG 4.21Å
244G82.9Confident82.6Confident33 Ų3366 Ų6634%0.3437%0.367SS..SBendtrans87.1-174.4-176.700000114.7F246 A247G244-F246 PolarHBondContact O-N 3.04Å; G244-F246 VanDerWaalsContact O-N 3.13Å; G244-A247 WeakPolarHBondContact O-CB 3.4Å; G244-A247 PolarHBondContact O-N 3.42Å
245P84.3Confident83.1Confident122 Ų12265.3 Ų65.379%0.79236%0.364SS*.THydrogen-bonded Turntrans-66.4-15.1-175.527-34.4000113.8
246F84Confident83.2Confident61 Ų6162 Ų6227%0.26834%0.342SS..THydrogen-bonded Turntrans-105.520176.2-50.4-73000112.2V241 G244 D248 F249 I269 V276V241-F246 VanDerWaalsContact CB-O 3.3Å; V241-F246 WeakPolarHBondContact CB-O 3.37Å; V241-F246 HydrophobicContact CG1-CB 4.35Å; V241-F246 WeakPolarHBondContact CG1-O 3.42Å; G244-F246 PolarHBondContact O-N 3.04Å; G244-F246 VanDerWaalsContact O-N 3.13Å; F246-D248 PolarHBondContact O-N 3.38Å; F246-F249 HydrophobicContact CB-CD2 4.24Å; F246-F249 WeakPolarHBondContact O-CB 3.41Å; F246-F249 WeakPolarHBondContact O-CD2 3.38Å; F246-F249 PolarHBondContact O-N 2.92Å; F246-I269 HydrophobicContact CD1-CD1 3.54Å; F246-I269 HydrophobicContact CE1-CD1 3.45Å; F246-I269 VanDerWaalsContact CE1-CD1 3.45Å; F246-V276 HydrophobicContact CD2-CG1 3.7Å; F246-V276 HydrophobicContact CD2-CG2 4.17Å; F246-V276 HydrophobicContact CE2-CB 4.48Å; F246-V276 HydrophobicContact CE2-CG1 3.64Å; F246-V276 HydrophobicContact CE2-CG2 3.92Å; F246-V276 HydrophobicContact CZ-CG2 4.12Å
247A80.3Confident83.4Confident36 Ų3662 Ų6230%0.29833%0.33SS..THydrogen-bonded Turntrans-51.7141.7172.400000110.8G244 F249G244-A247 WeakPolarHBondContact O-CB 3.4Å; G244-A247 PolarHBondContact O-N 3.42Å; A247-F249 VanDerWaalsContact C-N 3.25Å; A247-F249 PolarHBondContact O-N 3.48Å
248D80.7Confident83.7Confident110 Ų11064.1 Ų64.159%0.58834%0.337SS*.THydrogen-bonded Turntrans70.81.9-176.2-61.4-47.4000117R240 V241 F246R240-D248 IonicContact CZ-OD1 2.62Å; R240-D248 IonicContact NE-OD1 2.97Å; R240-D248 IonicContact NH2-OD1 3.43Å; R240-D248 PolarHBondContact NH2-OD1 3Å; V241-D248 PolarHBondContact O-N 2.64Å; F246-D248 PolarHBondContact O-N 3.38Å
249F84.8Confident83.7Confident78 Ų7870 Ų7034%0.34236%0.363SS..  trans-84.9148.9170.5-71.5-93.3000112.3V241 F246 A247 V267 I269V241-F249 PolarHBondContact N-O 3.5Å; F246-F249 HydrophobicContact CB-CD2 4.24Å; F246-F249 WeakPolarHBondContact O-CB 3.41Å; F246-F249 WeakPolarHBondContact O-CD2 3.38Å; F246-F249 PolarHBondContact O-N 2.92Å; A247-F249 VanDerWaalsContact C-N 3.25Å; A247-F249 PolarHBondContact O-N 3.48Å; F249-V267 HydrophobicContact CB-CG1 3.38Å; F249-V267 HydrophobicContact CD1-CG1 4.04Å; F249-V267 HydrophobicContact CG-CG1 3.92Å; F249-I269 HydrophobicContact CD1-CG1 4.31Å; F249-I269 HydrophobicContact CE1-CG1 4.23Å; F249-I269 HydrophobicContact CE1-CG2 4.44Å
250N84.3Confident83.7Confident88 Ų8876.9 Ų76.947%0.47139%0.393SS..EExtended strand (participates in β ladder)trans-103145.1172.6-59.1-40.5000109.8V239 R240V239-N250 WeakPolarHBondContact O-CA 3.37Å; R240-N250 WeakPolarHBondContact CG-OD1 3.24Å
251G84.6Confident83.6Confident4 Ų474.4 Ų74.44%0.04139%0.392CS..EExtended strand (participates in β ladder)trans-152.8170.7176.800000113.3M238 V239 S266M238-G251 WeakPolarHBondContact CA-O 3.43Å; V239-G251 PolarHBondContact N-O 3.34Å; V239-G251 PolarHBondContact O-N 2.99Å; G251-S266 CarbonylContact C-O 3.56Å; G251-S266 WeakPolarHBondContact CA-O 3.41Å
252V86.8Confident83.7Confident56 Ų5679.5 Ų79.534%0.33941%0.412SS..EExtended strand (participates in β ladder)trans-104.1132.3177.9-1790000109.1M238 E254 V265 S266M238-V252 HydrophobicContact CG-CG2 4.47Å; M238-V252 HydrophobicContact SD-CG2 3.41Å; M238-V252 WeakPolarHBondContact SD-CG2 3.5Å; V252-E254 PolarHBondContact O-N 3.3Å; V252-V265 CarbonylContact O-C 3.57Å; V252-V265 WeakPolarHBondContact O-CA 3.5Å; V252-S266 PolarHBondContact N-O 3.01Å; V252-S266 PolarHBondContact O-N 3.24Å
253V88.4Confident84Confident1 Ų175.2 Ų75.21%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-68.1120.8173.1179.40000109.3G236 E237 V239 V256 L263 V265G236-V253 PolarHBondContact N-O 3.43Å; E237-V253 HydrophobicContact CB-CG2 4.37Å; E237-V253 WeakPolarHBondContact O-CG2 3.24Å; E237-V253 PolarHBondContact O-N 3.04Å; V239-V253 HydrophobicContact CB-CG2 4.42Å; V239-V253 HydrophobicContact CG1-CG2 3.66Å; V239-V253 HydrophobicContact CG2-CG2 3.86Å; V253-V256 HydrophobicContact CG1-CG2 3.53Å; V253-L263 HydrophobicContact CG1-CD2 4.14Å; V253-V265 HydrophobicContact CG2-CG2 4.33Å
254E87.5Confident84.7Confident100 Ų10074.2 Ų74.247%0.46738%0.379SS..EExtended strand (participates in β ladder)trans-90.7-43.6173.3-68.1-170166.800111.7V252 K264 S266V252-E254 PolarHBondContact O-N 3.3Å; E254-K264 PolarHBondContact N-O 2.99Å; E254-K264 IonicContact OE2-NZ 2.66Å; E254-S266 VanDerWaalsContact CD-OG 3.22Å; E254-S266 PolarHBondContact OE1-OG 3.47Å
255E87.5Confident85Confident124 Ų12472.6 Ų72.658%0.57936%0.363SS*.EExtended strand (participates in β ladder)trans-147.8146.1-173.3-167.2174.7-17600110.2K264E255-K264 HydrophobicContact CB-CB 4.15Å; E255-K264 PolarHBondContact O-N 2.93Å
256V87Confident85.3Confident22 Ų2267.7 Ų67.713%0.13333%0.332CS..EExtended strand (participates in β ladder)trans-123.5111.8-177.9-174.20000109.1F233 P235 V253 Y258 L263 F280F233-V256 HydrophobicContact CB-CG1 4.37Å; F233-V256 HydrophobicContact CB-CG2 4.12Å; P235-V256 HydrophobicContact CG-CG2 4.4Å; V253-V256 HydrophobicContact CG1-CG2 3.53Å; V256-Y258 HydrophobicContact CB-CD2 4.45Å; V256-Y258 HydrophobicContact CB-CE2 3.97Å; V256-Y258 HydrophobicContact CG1-CD1 4.21Å; V256-Y258 HydrophobicContact CG1-CD2 3.81Å; V256-Y258 HydrophobicContact CG1-CE1 3.88Å; V256-Y258 HydrophobicContact CG1-CE2 3.42Å; V256-Y258 VanDerWaalsContact CG1-CE2 3.42Å; V256-Y258 HydrophobicContact CG1-CG 4.2Å; V256-Y258 VanDerWaalsContact CG1-CZ 3.46Å; V256-L263 HydrophobicContact CB-CD2 4.12Å; V256-L263 HydrophobicContact CG1-CD2 3.74Å; V256-L263 HydrophobicContact CG2-CD2 3.7Å; V256-F280 HydrophobicContact CG1-CE1 4.05Å; V256-F280 HydrophobicContact CG1-CZ 3.67Å
257D86Confident85.4Confident51 Ų5164.8 Ų64.827%0.27332%0.319SS..EExtended strand (participates in β ladder)trans-9797.8172.4-172.4-24.3000108.9E259 K260 S261 R262D257-E259 VanDerWaalsContact C-N 3.35Å; D257-E259 PolarHBondContact OD1-N 3.08Å; D257-K260 PolarHBondContact OD1-N 3.47Å; D257-K260 VanDerWaalsContact OD2-CD 3.27Å; D257-K260 WeakPolarHBondContact OD2-CD 3.31Å; D257-K260 WeakPolarHBondContact OD2-CG 3.28Å; D257-K260 IonicContact OD2-NZ 3.97Å; D257-K260 PolarHBondContact OD2-NZ 3.11Å; D257-S261 WeakPolarHBondContact O-CA 3.45Å; D257-S261 PolarHBondContact O-N 2.69Å; D257-R262 PolarHBondContact N-O 2.94Å; D257-R262 PolarHBondContact O-N 3.13Å
258Y82.4Confident85.6Confident97 Ų9766.6 Ų66.638%0.3833%0.33SS..THydrogen-bonded Turntrans-71.7-27.5178.4-71.4-79.1000113.3P229 L232 F233 V256 F280P229-Y258 HydrophobicContact CG-CD1 4.07Å; P229-Y258 HydrophobicContact CG-CE1 4.46Å; L232-Y258 HydrophobicContact CD1-CE1 4.05Å; L232-Y258 HydrophobicContact CG-CE1 4.45Å; F233-Y258 PolarHBondContact N-OH 3.36Å; F233-Y258 PolarHBondContact O-OH 2.98Å; V256-Y258 HydrophobicContact CB-CD2 4.45Å; V256-Y258 HydrophobicContact CB-CE2 3.97Å; V256-Y258 HydrophobicContact CG1-CD1 4.21Å; V256-Y258 HydrophobicContact CG1-CD2 3.81Å; V256-Y258 HydrophobicContact CG1-CE1 3.88Å; V256-Y258 HydrophobicContact CG1-CE2 3.42Å; V256-Y258 VanDerWaalsContact CG1-CE2 3.42Å; V256-Y258 HydrophobicContact CG1-CG 4.2Å; V256-Y258 VanDerWaalsContact CG1-CZ 3.46Å; Y258-F280 AromaticContact CD1-CE2 3.9Å; Y258-F280 HydrophobicContact CD1-CE2 3.9Å; Y258-F280 AromaticContact CD1-CZ 3.84Å; Y258-F280 HydrophobicContact CD1-CZ 3.84Å; Y258-F280 HydrophobicContact CE1-CE2 4.07Å; Y258-F280 HydrophobicContact CE1-CZ 4.07Å
259E78Confident85.7Confident188 Ų18862.6 Ų62.688%0.87931%0.308SS*.THydrogen-bonded Turntrans-71.3-38.5-179.7-62.9-167.715900110.7D257D257-E259 VanDerWaalsContact C-N 3.35Å; D257-E259 PolarHBondContact OD1-N 3.08Å
260K81.9Confident85.5Confident144 Ų14468.9 Ų68.963%0.62634%0.335SS*.THydrogen-bonded Turntrans-94.5-5.4176.8-60.4-177.9-164.6146.40114D257 R262D257-K260 PolarHBondContact OD1-N 3.47Å; D257-K260 VanDerWaalsContact OD2-CD 3.27Å; D257-K260 WeakPolarHBondContact OD2-CD 3.31Å; D257-K260 WeakPolarHBondContact OD2-CG 3.28Å; D257-K260 IonicContact OD2-NZ 3.97Å; D257-K260 PolarHBondContact OD2-NZ 3.11Å; K260-R262 VanDerWaalsContact C-N 3.31Å; K260-R262 HydrophobicContact CB-CG 4.38Å; K260-R262 PolarHBondContact O-N 2.95Å
261S81.2Confident85.2Confident56 Ų5668.2 Ų68.239%0.39235%0.349SS..THydrogen-bonded Turntrans57.140.3-175.2-58.40000113.5D257 F280D257-S261 WeakPolarHBondContact O-CA 3.45Å; D257-S261 PolarHBondContact O-N 2.69Å; S261-F280 VanDerWaalsContact C-CE1 3.46Å; S261-F280 WeakPolarHBondContact O-CD1 3.44Å; S261-F280 PolarHBondContact O-N 3.39Å
262R86.1Confident85.3Confident107 Ų10777.3 Ų77.340%0.40438%0.382SS..EExtended strand (participates in β ladder)trans-120.7143.5-178.1-71.7-170.9171.8-157.4-0.8112.6D257 K260 E277 L278 D279D257-R262 PolarHBondContact N-O 2.94Å; D257-R262 PolarHBondContact O-N 3.13Å; K260-R262 VanDerWaalsContact C-N 3.31Å; K260-R262 HydrophobicContact CB-CG 4.38Å; K260-R262 PolarHBondContact O-N 2.95Å; R262-E277 IonicContact NH1-OE2 2.97Å; R262-E277 PolarHBondContact NH1-OE2 3.2Å; R262-L278 CarbonylContact C-O 3.53Å; R262-L278 WeakPolarHBondContact CA-O 3.17Å; R262-D279 IonicContact NE-OD1 3.5Å
263L88Confident85.4Confident1 Ų178.4 Ų78.41%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-112.9130.5175.2-62.8166.6000108.6F233 V253 V256 V265 E277 L278 F280 V283F233-L263 HydrophobicContact CB-CD2 3.68Å; F233-L263 HydrophobicContact CD1-CD1 4.13Å; F233-L263 HydrophobicContact CD2-CD1 3.82Å; F233-L263 HydrophobicContact CD2-CD2 3.85Å; F233-L263 HydrophobicContact CD2-CG 4.3Å; F233-L263 HydrophobicContact CE1-CD1 4.13Å; F233-L263 HydrophobicContact CE2-CD1 3.83Å; F233-L263 HydrophobicContact CG-CD1 3.97Å; F233-L263 HydrophobicContact CG-CD2 3.81Å; F233-L263 HydrophobicContact CZ-CD1 3.98Å; V253-L263 HydrophobicContact CG1-CD2 4.14Å; V256-L263 HydrophobicContact CB-CD2 4.12Å; V256-L263 HydrophobicContact CG1-CD2 3.74Å; V256-L263 HydrophobicContact CG2-CD2 3.7Å; L263-V265 HydrophobicContact CB-CG2 3.79Å; L263-E277 CarbonylContact O-C 3.59Å; L263-E277 WeakPolarHBondContact O-CA 3.49Å; L263-L278 PolarHBondContact N-O 2.7Å; L263-L278 PolarHBondContact O-N 3.32Å; L263-F280 HydrophobicContact CD1-CD1 4.05Å; L263-F280 HydrophobicContact CD1-CE1 4.45Å; L263-F280 HydrophobicContact CD2-CD1 4.11Å; L263-F280 HydrophobicContact CD2-CE1 3.66Å; L263-F280 HydrophobicContact CD2-CZ 4.37Å; L263-F280 HydrophobicContact CG-CD1 3.63Å; L263-F280 HydrophobicContact CG-CE1 3.65Å; L263-V283 HydrophobicContact CD1-CB 4.14Å; L263-V283 HydrophobicContact CD1-CG1 4.28Å; L263-V283 HydrophobicContact CD1-CG2 3.98Å
264K91.5Very high85.4Confident79 Ų7981.1 Ų81.134%0.34341%0.414SS..EExtended strand (participates in β ladder)trans-89.4107.9166-170.5176.7177.6-173.50107.8E254 E255 P275E254-K264 PolarHBondContact N-O 2.99Å; E254-K264 IonicContact OE2-NZ 2.66Å; E255-K264 HydrophobicContact CB-CB 4.15Å; E255-K264 PolarHBondContact O-N 2.93Å; K264-P275 HydrophobicContact CG-CB 4.47Å
265V89.2Confident85.5Confident0 Ų079.9 Ų79.90%041%0.414CS..EExtended strand (participates in β ladder)trans-113.5124.3-174.8-177.30000109.5V239 V252 V253 L263 V267 V276 L278V239-V265 HydrophobicContact CG2-CB 4.48Å; V239-V265 HydrophobicContact CG2-CG1 3.67Å; V239-V265 HydrophobicContact CG2-CG2 3.91Å; V252-V265 CarbonylContact O-C 3.57Å; V252-V265 WeakPolarHBondContact O-CA 3.5Å; V253-V265 HydrophobicContact CG2-CG2 4.33Å; L263-V265 HydrophobicContact CB-CG2 3.79Å; V265-V267 HydrophobicContact CG1-CG2 4.05Å; V265-V267 PolarHBondContact O-N 3.36Å; V265-V276 PolarHBondContact N-O 2.89Å; V265-V276 PolarHBondContact O-N 2.92Å; V265-L278 HydrophobicContact CB-CD1 4.07Å; V265-L278 HydrophobicContact CG2-CD1 4.04Å
266S90.2Very high85.7Confident19 Ų1974.9 Ų74.913%0.13339%0.392CS..EExtended strand (participates in β ladder)trans-83.7101173.3-92.70000110G251 V252 E254G251-S266 CarbonylContact C-O 3.56Å; G251-S266 WeakPolarHBondContact CA-O 3.41Å; V252-S266 PolarHBondContact N-O 3.01Å; V252-S266 PolarHBondContact O-N 3.24Å; E254-S266 VanDerWaalsContact CD-OG 3.22Å; E254-S266 PolarHBondContact OE1-OG 3.47Å
267V87.8Confident85.8Confident0 Ų079.8 Ų79.80%041%0.414CS..EExtended strand (participates in β ladder)trans-92.2135.6-178.6-175.70000109.8V241 F249 V265 I269 T274 V276V241-V267 HydrophobicContact CG2-CG2 4.39Å; F249-V267 HydrophobicContact CB-CG1 3.38Å; F249-V267 HydrophobicContact CD1-CG1 4.04Å; F249-V267 HydrophobicContact CG-CG1 3.92Å; V265-V267 HydrophobicContact CG1-CG2 4.05Å; V265-V267 PolarHBondContact O-N 3.36Å; V267-I269 HydrophobicContact CB-CG1 4.44Å; V267-I269 HydrophobicContact CG1-CD1 4.35Å; V267-I269 HydrophobicContact CG1-CG1 3.9Å; V267-I269 PolarHBondContact O-N 2.73Å; V267-T274 PolarHBondContact N-O 2.97Å; V267-T274 PolarHBondContact O-N 3.01Å; V267-V276 HydrophobicContact CG2-CB 4.41Å; V267-V276 HydrophobicContact CG2-CG2 4.21Å
268S84Confident85.9Confident74 Ų7477.7 Ų77.752%0.51740%0.402SS..EExtended strand (participates in β ladder)trans-86.9107.2177-171.40000110.8
269I82.6Confident86Confident26 Ų2675.8 Ų75.813%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-120.6122.5179-48.9178.8000108F246 F249 V267 G271 R272F246-I269 HydrophobicContact CD1-CD1 3.54Å; F246-I269 HydrophobicContact CE1-CD1 3.45Å; F246-I269 VanDerWaalsContact CE1-CD1 3.45Å; F249-I269 HydrophobicContact CD1-CG1 4.31Å; F249-I269 HydrophobicContact CE1-CG1 4.23Å; F249-I269 HydrophobicContact CE1-CG2 4.44Å; V267-I269 HydrophobicContact CB-CG1 4.44Å; V267-I269 HydrophobicContact CG1-CD1 4.35Å; V267-I269 HydrophobicContact CG1-CG1 3.9Å; V267-I269 PolarHBondContact O-N 2.73Å; I269-G271 PolarHBondContact O-N 3.41Å; I269-G271 VanDerWaalsContact O-N 3.17Å; I269-R272 PolarHBondContact N-O 3.35Å; I269-R272 PolarHBondContact O-N 2.97Å
270F81.2Confident86.2Confident210 Ų21068 Ų6892%0.92136%0.362SS*.THydrogen-bonded Turntrans51.536.1-176.7-56.9-66.8000114.3R272F270-R272 VanDerWaalsContact C-N 3.28Å; F270-R272 PolarHBondContact O-N 3.02Å
271G78.2Confident85.9Confident73 Ų7366.3 Ų66.375%0.75337%0.369SS*.THydrogen-bonded Turntrans76.57.7-179.500000115.1I269I269-G271 PolarHBondContact O-N 3.41Å; I269-G271 VanDerWaalsContact O-N 3.17Å
272R86.5Confident85.8Confident195 Ų19565.8 Ų65.874%0.73636%0.36SS*.EExtended strand (participates in β ladder)trans-112.8135.1173.8-65.5-178.3177.7165.7-0.1110.4I269 F270 T274I269-R272 PolarHBondContact N-O 3.35Å; I269-R272 PolarHBondContact O-N 2.97Å; F270-R272 VanDerWaalsContact C-N 3.28Å; F270-R272 PolarHBondContact O-N 3.02Å; R272-T274 PolarHBondContact O-N 2.75Å
273A87.4Confident85.1Confident79 Ų7961.3 Ų61.365%0.65335%0.345SS*.EExtended strand (participates in β ladder)trans-73.4116.5170.100000109
274T88.4Confident84.1Confident59 Ų5962.8 Ų62.836%0.36236%0.357SS..EExtended strand (participates in β ladder)trans-115.2116.7176.9-48.10000108V267 R272 V276V267-T274 PolarHBondContact N-O 2.97Å; V267-T274 PolarHBondContact O-N 3.01Å; R272-T274 PolarHBondContact O-N 2.75Å; T274-V276 PolarHBondContact O-N 3.3Å
275P90.7Very high82.4Confident74 Ų7461 Ų6148%0.48136%0.357SS..EExtended strand (participates in β ladder)trans-71.6127.3177.428.6-32.7000109.9K264K264-P275 HydrophobicContact CG-CB 4.47Å
276V90.9Very high80.7Confident18 Ų1863.5 Ų63.511%0.10938%0.383CS..EExtended strand (participates in β ladder)trans-124.6133.8178.7-177.10000108.7F246 V265 V267 T274 L278F246-V276 HydrophobicContact CD2-CG1 3.7Å; F246-V276 HydrophobicContact CD2-CG2 4.17Å; F246-V276 HydrophobicContact CE2-CB 4.48Å; F246-V276 HydrophobicContact CE2-CG1 3.64Å; F246-V276 HydrophobicContact CE2-CG2 3.92Å; F246-V276 HydrophobicContact CZ-CG2 4.12Å; V265-V276 PolarHBondContact N-O 2.89Å; V265-V276 PolarHBondContact O-N 2.92Å; V267-V276 HydrophobicContact CG2-CB 4.41Å; V267-V276 HydrophobicContact CG2-CG2 4.21Å; T274-V276 PolarHBondContact O-N 3.3Å; V276-L278 HydrophobicContact CG1-CD2 3.8Å; V276-L278 HydrophobicContact CG1-CG 4.03Å
277E90.5Very high79.1Confident126 Ų12666.7 Ų66.759%0.58940%0.397SS*.EExtended strand (participates in β ladder)trans-83.5123.2169.4-68.2-175.5-171.500110R262 L263R262-E277 IonicContact NH1-OE2 2.97Å; R262-E277 PolarHBondContact NH1-OE2 3.2Å; L263-E277 CarbonylContact O-C 3.59Å; L263-E277 WeakPolarHBondContact O-CA 3.49Å
278L87.8Confident77.4Confident7 Ų768.6 Ų68.64%0.03741%0.412CS..EExtended strand (participates in β ladder)trans-125.6143.3-179.8-62.4172.4000110.3V241 R262 L263 V265 V276 V283V241-L278 HydrophobicContact CB-CD1 4.27Å; V241-L278 HydrophobicContact CG1-CD1 3.96Å; V241-L278 HydrophobicContact CG1-CD2 4.17Å; V241-L278 HydrophobicContact CG2-CD1 3.37Å; R262-L278 CarbonylContact C-O 3.53Å; R262-L278 WeakPolarHBondContact CA-O 3.17Å; L263-L278 PolarHBondContact N-O 2.7Å; L263-L278 PolarHBondContact O-N 3.32Å; V265-L278 HydrophobicContact CB-CD1 4.07Å; V265-L278 HydrophobicContact CG2-CD1 4.04Å; V276-L278 HydrophobicContact CG1-CD2 3.8Å; V276-L278 HydrophobicContact CG1-CG 4.03Å; L278-V283 HydrophobicContact CB-CG2 3.77Å; L278-V283 HydrophobicContact CD1-CG2 3.86Å; L278-V283 HydrophobicContact CG-CG2 4.47Å
279D84.8Confident76.2Confident57 Ų5767.5 Ų67.531%0.30540%0.401SS..EExtended strand (participates in β ladder)trans-75.6152.3172.6-64.9-44.8000110.2R262 S281 Q282R262-D279 IonicContact NE-OD1 3.5Å; D279-S281 PolarHBondContact O-N 3.47Å; D279-Q282 HydrophobicContact CB-CG 4.37Å; D279-Q282 PolarHBondContact O-N 2.88Å
280F80.5Confident75Confident23 Ų2369.4 Ų69.410%0.10141%0.414CS..G310 helixtrans-54.8-28.6-178.6-76.620.8000113.3P229 F233 V256 Y258 S261 L263P229-F280 HydrophobicContact CB-CD2 4.2Å; P229-F280 HydrophobicContact CB-CE2 4.11Å; P229-F280 HydrophobicContact CG-CE2 4.38Å; F233-F280 HydrophobicContact CD2-CD1 4.2Å; F233-F280 AromaticContact CD2-CD2 3.96Å; F233-F280 HydrophobicContact CD2-CD2 3.96Å; F233-F280 HydrophobicContact CD2-CE1 4.26Å; F233-F280 HydrophobicContact CD2-CE2 4.02Å; F233-F280 HydrophobicContact CD2-CG 4.06Å; F233-F280 HydrophobicContact CD2-CZ 4.18Å; F233-F280 HydrophobicContact CE2-CB 3.94Å; F233-F280 HydrophobicContact CE2-CD1 4.15Å; F233-F280 AromaticContact CE2-CD2 3.81Å; F233-F280 HydrophobicContact CE2-CD2 3.81Å; F233-F280 HydrophobicContact CE2-CE2 4.36Å; F233-F280 AromaticContact CE2-CG 3.7Å; F233-F280 HydrophobicContact CE2-CG 3.7Å; V256-F280 HydrophobicContact CG1-CE1 4.05Å; V256-F280 HydrophobicContact CG1-CZ 3.67Å; Y258-F280 AromaticContact CD1-CE2 3.9Å; Y258-F280 HydrophobicContact CD1-CE2 3.9Å; Y258-F280 AromaticContact CD1-CZ 3.84Å; Y258-F280 HydrophobicContact CD1-CZ 3.84Å; Y258-F280 HydrophobicContact CE1-CE2 4.07Å; Y258-F280 HydrophobicContact CE1-CZ 4.07Å; S261-F280 VanDerWaalsContact C-CE1 3.46Å; S261-F280 WeakPolarHBondContact O-CD1 3.44Å; S261-F280 PolarHBondContact O-N 3.39Å; L263-F280 HydrophobicContact CD1-CD1 4.05Å; L263-F280 HydrophobicContact CD1-CE1 4.45Å; L263-F280 HydrophobicContact CD2-CD1 4.11Å; L263-F280 HydrophobicContact CD2-CE1 3.66Å; L263-F280 HydrophobicContact CD2-CZ 4.37Å; L263-F280 HydrophobicContact CG-CD1 3.63Å; L263-F280 HydrophobicContact CG-CE1 3.65Å
281S76.5Confident74Confident110 Ų11061.9 Ų61.977%0.76939%0.388SS*.G310 helixtrans-75.8-19.717953.40000114.6D279 V283D279-S281 PolarHBondContact O-N 3.47Å; S281-V283 VanDerWaalsContact C-N 3.3Å
282Q78.8Confident72.9Confident44 Ų4463.5 Ų63.521%0.20639%0.385CS..G310 helixtrans-85.3-6.9-176.8-64.7178.2-26.400112.6N242 D243 D279N242-Q282 PolarHBondContact N-O 3.38Å; D243-Q282 HydrophobicContact CB-CB 4.32Å; D243-Q282 HydrophobicContact CB-CG 4.21Å; D279-Q282 HydrophobicContact CB-CG 4.37Å; D279-Q282 PolarHBondContact O-N 2.88Å
283V72.5Confident71.7Confident14 Ų1459.3 Ų59.39%0.08538%0.383CS..EExtended strand (participates in β ladder)trans-119.7131.3-166.7-174.80000110.3F233 V239 R240 L263 L278 S281F233-V283 HydrophobicContact CE1-CG1 4.48Å; V239-V283 HydrophobicContact CB-CG1 3.27Å; V239-V283 HydrophobicContact CG1-CG1 3.81Å; V239-V283 HydrophobicContact CG2-CG1 3.54Å; R240-V283 CarbonylContact O-C 3.57Å; R240-V283 WeakPolarHBondContact O-CA 3.39Å; L263-V283 HydrophobicContact CD1-CB 4.14Å; L263-V283 HydrophobicContact CD1-CG1 4.28Å; L263-V283 HydrophobicContact CD1-CG2 3.98Å; L278-V283 HydrophobicContact CB-CG2 3.77Å; L278-V283 HydrophobicContact CD1-CG2 3.86Å; L278-V283 HydrophobicContact CG-CG2 4.47Å; S281-V283 VanDerWaalsContact C-N 3.3Å
284A65.6Low70.8Confident31 Ų3157.8 Ų57.826%0.25637%0.366SS..EExtended strand (participates in β ladder)trans-108.9136.5169.200000111.6R240 N242 G286R240-A284 PolarHBondContact N-O 3.37Å; R240-A284 PolarHBondContact O-N 2.95Å; N242-A284 WeakPolarHBondContact ND2-CB 3.36Å; A284-G286 PolarHBondContact O-N 2.98Å
285A56.5Low70Confident43 Ų4355.3 Ų55.336%0.35535%0.352SS..EExtended strand (participates in β ladder)trans-65.2115.317400000110.2
286G52.9Low69.3Low52 Ų5254.6 Ų54.654%0.53635%0.348SS..  trans-107.821-162.900000116.6A284A284-G286 PolarHBondContact O-N 2.98Å
287M57.6Low68.6Low86 Ų8656.4 Ų56.442%0.42436%0.364SS..SBendtrans-127.9170.2178.2-68.1-168.1-65.300111.7M238 N289M238-M287 HydrophobicContact CB-CE 3.55Å; M238-M287 HydrophobicContact CB-CG 3.97Å; M238-M287 HydrophobicContact CB-SD 3.61Å; M238-M287 HydrophobicContact CG-CE 3.93Å; M238-M287 HydrophobicContact CG-SD 3.76Å; M287-N289 WeakPolarHBondContact O-CB 3.31Å; M287-N289 PolarHBondContact O-N 3.35Å
288A52Low68.1Low40 Ų4051 Ų5133%0.33134%0.34SS..  trans-55.787.2171.600000109.7C309 F312A288-C309 WeakPolarHBondContact O-CB 3.46Å; A288-C309 PolarHBondContact O-SG 2.9Å; A288-F312 HydrophobicContact CB-CD1 4.42Å
289N59Low67.7Low51 Ų5152.6 Ų52.627%0.27336%0.358SS..  trans-97.5160.4-179.956.617.8000107.4M287 S291M287-N289 WeakPolarHBondContact O-CB 3.31Å; M287-N289 PolarHBondContact O-N 3.35Å; N289-S291 PolarHBondContact ND2-OG 3.11Å; N289-S291 PolarHBondContact O-N 2.7Å; N289-S291 WeakPolarHBondContact OD1-CB 3.41Å; N289-S291 PolarHBondContact OD1-OG 3.37Å
290P57.4Low67.6Low65 Ų6557.3 Ų57.342%0.42238%0.378SS..SBendtrans-62.916.7177.825.2-35.6000114.3G295 I305P290-G295 VanDerWaalsContact O-CA 3.28Å; P290-G295 WeakPolarHBondContact O-CA 3.29Å; P290-I305 HydrophobicContact CB-CG2 3.68Å
291S59.4Low67.6Low53 Ų5362 Ų6237%0.37140%0.4SS..  trans-63151.6176.9-59.20000111.6N289 V294 G295N289-S291 PolarHBondContact ND2-OG 3.11Å; N289-S291 PolarHBondContact O-N 2.7Å; N289-S291 WeakPolarHBondContact OD1-CB 3.41Å; N289-S291 PolarHBondContact OD1-OG 3.37Å; S291-V294 PolarHBondContact O-N 3.15Å; S291-V294 VanDerWaalsContact O-N 3.08Å; S291-G295 PolarHBondContact O-N 2.89Å; S291-G295 VanDerWaalsContact O-N 3.16Å
292P54.5Low67.7Low106 Ų10658.6 Ų58.669%0.68838%0.382SS*.THydrogen-bonded Turntrans-55.7125.3167.2-19.131.7000108.8P296P292-P296 HydrophobicContact CB-CG 3.99Å; P292-P296 HydrophobicContact CG-CG 4.27Å
293P62Low67.7Low107 Ų10756.9 Ų56.970%0.69538%0.375SS*.THydrogen-bonded Turncis-98.9-13.526.535.6-35.8000117A297P293-A297 VanDerWaalsContact O-CB 3.31Å; P293-A297 WeakPolarHBondContact O-CB 3.33Å; P293-A297 PolarHBondContact O-N 3.14Å
294V69.3Low68.2Low47 Ų4760.5 Ų60.529%0.28539%0.394SS..Hα-helixtrans-71.6-43.2-174.8178.90000110.9S291 A297 L298 F308S291-V294 PolarHBondContact O-N 3.15Å; S291-V294 VanDerWaalsContact O-N 3.08Å; V294-A297 PolarHBondContact O-N 3.04Å; V294-L298 HydrophobicContact CG1-CD1 3.56Å; V294-L298 HydrophobicContact CG1-CG 4.17Å; V294-L298 WeakPolarHBondContact O-CB 3.36Å; V294-L298 WeakPolarHBondContact O-CG 3.3Å; V294-L298 PolarHBondContact O-N 2.97Å; V294-F308 HydrophobicContact CG1-CD1 4.42Å; V294-F308 HydrophobicContact CG1-CE1 4.28Å
295G70.5Confident68.9Low8 Ų861 Ų618%0.08239%0.391CS..Hα-helixtrans-57.5-56.3-179.700000113.6P290 S291 A297 G299P290-G295 VanDerWaalsContact O-CA 3.28Å; P290-G295 WeakPolarHBondContact O-CA 3.29Å; S291-G295 PolarHBondContact O-N 2.89Å; S291-G295 VanDerWaalsContact O-N 3.16Å; G295-A297 PolarHBondContact O-N 2.66Å; G295-G299 WeakPolarHBondContact O-CA 3.36Å; G295-G299 PolarHBondContact O-N 3.46Å
296P76.6Confident69.9Low59 Ų5964.8 Ų64.838%0.38340%0.403SS..Hα-helixtrans-62.6-40.1177.5-2535.4000113.5P292 Q300P292-P296 HydrophobicContact CB-CG 3.99Å; P292-P296 HydrophobicContact CG-CG 4.27Å; P296-Q300 WeakPolarHBondContact O-CB 3.38Å; P296-Q300 WeakPolarHBondContact O-CG 3.36Å; P296-Q300 PolarHBondContact O-N 3.11Å
297A75.9Confident71.3Confident56 Ų5667.6 Ų67.646%0.46340%0.402SS..Hα-helixtrans-65.9-44.2-177.900000112.5P293 V294 G295P293-A297 VanDerWaalsContact O-CB 3.31Å; P293-A297 WeakPolarHBondContact O-CB 3.33Å; P293-A297 PolarHBondContact O-N 3.14Å; V294-A297 PolarHBondContact O-N 3.04Å; G295-A297 PolarHBondContact O-N 2.66Å
298L79.5Confident72.5Confident13 Ų1364.1 Ų64.17%0.06839%0.385CS..Hα-helixtrans-78.6-37.2177.9-63.8-178000112.3V294 Q300 Q301 G302 V303 I305 F308 I329V294-L298 HydrophobicContact CG1-CD1 3.56Å; V294-L298 HydrophobicContact CG1-CG 4.17Å; V294-L298 WeakPolarHBondContact O-CB 3.36Å; V294-L298 WeakPolarHBondContact O-CG 3.3Å; V294-L298 PolarHBondContact O-N 2.97Å; L298-Q300 VanDerWaalsContact C-N 3.35Å; L298-Q300 PolarHBondContact O-N 3.26Å; L298-Q301 PolarHBondContact O-N 3.09Å; L298-Q301 VanDerWaalsContact O-N 3.13Å; L298-G302 PolarHBondContact O-N 3.41Å; L298-V303 HydrophobicContact CB-CB 4.35Å; L298-V303 PolarHBondContact O-N 3.48Å; L298-I305 HydrophobicContact CB-CG1 4.05Å; L298-I305 HydrophobicContact CD1-CG2 4.43Å; L298-F308 HydrophobicContact CD1-CB 4Å; L298-F308 HydrophobicContact CD1-CD1 3.28Å; L298-F308 HydrophobicContact CD1-CD2 4.41Å; L298-F308 HydrophobicContact CD1-CE1 3.82Å; L298-F308 HydrophobicContact CD1-CG 3.62Å; L298-I329 HydrophobicContact CD2-CD1 3.48Å; L298-I329 VanDerWaalsContact CD2-CD1 3.48Å
299G79.5Confident73.7Confident40 Ų4062.5 Ų62.541%0.41237%0.371SS..Hα-helixtrans-63.6-37.6178.400000112.8G295 Q301 G302G295-G299 WeakPolarHBondContact O-CA 3.36Å; G295-G299 PolarHBondContact O-N 3.46Å; G299-Q301 PolarHBondContact O-N 2.93Å; G299-G302 PolarHBondContact O-N 3.42Å
300Q83.3Confident74.7Confident156 Ų15668 Ų6873%0.72939%0.393SS*.THydrogen-bonded Turntrans-62.1-26.6174.4-78.4175.312.600113.2P296 L298P296-Q300 WeakPolarHBondContact O-CB 3.38Å; P296-Q300 WeakPolarHBondContact O-CG 3.36Å; P296-Q300 PolarHBondContact O-N 3.11Å; L298-Q300 VanDerWaalsContact C-N 3.35Å; L298-Q300 PolarHBondContact O-N 3.26Å
301Q80.5Confident75.9Confident121 Ų12166.5 Ų66.557%0.56539%0.386SS*.THydrogen-bonded Turntrans-93.3-0177.4-59.2-59.4-34.800113L298 G299 V303 V331L298-Q301 PolarHBondContact O-N 3.09Å; L298-Q301 VanDerWaalsContact O-N 3.13Å; G299-Q301 PolarHBondContact O-N 2.93Å; Q301-V303 VanDerWaalsContact C-N 3.29Å; Q301-V303 HydrophobicContact CB-CG2 4.1Å; Q301-V303 PolarHBondContact O-N 3.01Å; Q301-V331 HydrophobicContact CB-CG1 4.45Å; Q301-V331 HydrophobicContact CB-CG2 4.19Å
302G78.4Confident77Confident39 Ų3965.6 Ų65.640%0.40238%0.375SS..THydrogen-bonded Turntrans71.518.8-179.700000114.8L298 G299L298-G302 PolarHBondContact O-N 3.41Å; G299-G302 PolarHBondContact O-N 3.42Å
303V79.7Confident78Confident8 Ų863 Ų635%0.04836%0.356CS..  trans-78.3143.3179.3177.50000110.6L298 Q301 I305 V331 F337L298-V303 HydrophobicContact CB-CB 4.35Å; L298-V303 PolarHBondContact O-N 3.48Å; Q301-V303 VanDerWaalsContact C-N 3.29Å; Q301-V303 HydrophobicContact CB-CG2 4.1Å; Q301-V303 PolarHBondContact O-N 3.01Å; V303-I305 PolarHBondContact O-N 3.09Å; V303-V331 HydrophobicContact CG2-CB 4.25Å; V303-V331 HydrophobicContact CG2-CG1 3.72Å; V303-V331 HydrophobicContact CG2-CG2 3.47Å; V303-V331 VanDerWaalsContact CG2-CG2 3.47Å; V303-F337 HydrophobicContact CG1-CB 4.03Å; V303-F337 HydrophobicContact CG1-CD1 3.45Å; V303-F337 VanDerWaalsContact CG1-CD1 3.45Å; V303-F337 HydrophobicContact CG1-CD2 4.34Å; V303-F337 HydrophobicContact CG1-CE1 3.96Å; V303-F337 HydrophobicContact CG1-CG 3.66Å; V303-F337 HydrophobicContact CG2-CB 4.34Å
304N81.1Confident79Confident89 Ų8961.6 Ų61.648%0.47635%0.353SS..  trans-68.898172.1-172.7-11.6000110.8M306 E307 F308N304-M306 PolarHBondContact O-N 3.35Å; N304-M306 PolarHBondContact OD1-N 3.05Å; N304-E307 HydrophobicContact CB-CB 4.01Å; N304-E307 PolarHBondContact O-N 2.9Å; N304-E307 PolarHBondContact OD1-N 2.97Å; N304-F308 PolarHBondContact O-N 3.1Å; N304-F308 VanDerWaalsContact O-N 3.07Å
305I80.5Confident79.4Confident41 Ų4164.3 Ų64.321%0.2136%0.361CS..Hα-helixtrans-58.2-39.4-174.5-53165.6000111.2P290 L298 V303 F308 C309P290-I305 HydrophobicContact CB-CG2 3.68Å; L298-I305 HydrophobicContact CB-CG1 4.05Å; L298-I305 HydrophobicContact CD1-CG2 4.43Å; V303-I305 PolarHBondContact O-N 3.09Å; I305-F308 PolarHBondContact O-N 3.34Å; I305-C309 WeakPolarHBondContact O-CB 3.34Å; I305-C309 PolarHBondContact O-N 3.37Å; I305-C309 PolarHBondContact O-SG 2.97Å
306M78.2Confident79.7Confident123 Ų12364.8 Ų64.861%0.60636%0.362SS*.Hα-helixtrans-67.2-42.2-177.2-166.5111.5-73.200111.6N304 C309 K310N304-M306 PolarHBondContact O-N 3.35Å; N304-M306 PolarHBondContact OD1-N 3.05Å; M306-C309 PolarHBondContact O-N 2.92Å; M306-K310 WeakPolarHBondContact O-CB 3.43Å; M306-K310 PolarHBondContact O-N 2.97Å
307E81.5Confident79.5Confident111 Ų11167 Ų6752%0.51937%0.37SS..Hα-helixtrans-65.6-42.5177.3-170.2178.3-178.700111.2N304 K310 A311 F337N304-E307 HydrophobicContact CB-CB 4.01Å; N304-E307 PolarHBondContact O-N 2.9Å; N304-E307 PolarHBondContact OD1-N 2.97Å; E307-K310 PolarHBondContact O-N 3.32Å; E307-A311 WeakPolarHBondContact O-CB 3.25Å; E307-A311 PolarHBondContact O-N 3.09Å; E307-F337 HydrophobicContact CB-CE1 4.13Å; E307-F337 HydrophobicContact CB-CZ 4.1Å; E307-F337 HydrophobicContact CG-CE1 4.07Å; E307-F337 HydrophobicContact CG-CZ 3.93Å
308F83.3Confident79.3Confident13 Ų1369.7 Ų69.76%0.05739%0.386CS..Hα-helixtrans-59.8-50.5173.9173.6-94.5000111.5V294 L298 N304 I305 K310 A311 F312 V327 I329 F337 F339V294-F308 HydrophobicContact CG1-CD1 4.42Å; V294-F308 HydrophobicContact CG1-CE1 4.28Å; L298-F308 HydrophobicContact CD1-CB 4Å; L298-F308 HydrophobicContact CD1-CD1 3.28Å; L298-F308 HydrophobicContact CD1-CD2 4.41Å; L298-F308 HydrophobicContact CD1-CE1 3.82Å; L298-F308 HydrophobicContact CD1-CG 3.62Å; N304-F308 PolarHBondContact O-N 3.1Å; N304-F308 VanDerWaalsContact O-N 3.07Å; I305-F308 PolarHBondContact O-N 3.34Å; F308-K310 VanDerWaalsContact C-N 3.31Å; F308-K310 PolarHBondContact O-N 3.06Å; F308-A311 PolarHBondContact O-N 3.49Å; F308-F312 HydrophobicContact CE1-CB 4.25Å; F308-F312 HydrophobicContact CE1-CG 4.46Å; F308-F312 HydrophobicContact CZ-CB 4.21Å; F308-F312 HydrophobicContact CZ-CD2 4.34Å; F308-F312 HydrophobicContact CZ-CG 4.32Å; F308-F312 WeakPolarHBondContact O-CB 3.4Å; F308-F312 PolarHBondContact O-N 3.16Å; F308-V327 HydrophobicContact CE2-CG1 4.12Å; F308-V327 HydrophobicContact CZ-CG1 4.22Å; F308-I329 HydrophobicContact CD2-CD1 3.99Å; F308-I329 HydrophobicContact CE1-CD1 4.45Å; F308-I329 HydrophobicContact CE2-CD1 3.33Å; F308-I329 HydrophobicContact CE2-CG1 3.82Å; F308-I329 HydrophobicContact CZ-CD1 3.6Å; F308-I329 HydrophobicContact CZ-CG1 4.39Å; F308-F337 HydrophobicContact CB-CE2 3.83Å; F308-F337 HydrophobicContact CB-CZ 3.85Å; F308-F337 HydrophobicContact CD2-CD2 4.16Å; F308-F337 AromaticContact CD2-CE2 3.81Å; F308-F337 HydrophobicContact CD2-CE2 3.81Å; F308-F337 HydrophobicContact CG-CE2 4.33Å; F308-F339 HydrophobicContact CD2-CD1 4.49Å; F308-F339 HydrophobicContact CD2-CG 4.47Å; F308-F339 HydrophobicContact CE2-CB 4.14Å; F308-F339 HydrophobicContact CE2-CD2 4.39Å; F308-F339 HydrophobicContact CE2-CG 4.13Å
309C77.6Confident78.9Confident6 Ų671.5 Ų71.54%0.04140%0.395CS..Hα-helixtrans-56.7-44.6179.3-74.90000111.7A288 I305 M306 N313A288-C309 WeakPolarHBondContact O-CB 3.46Å; A288-C309 PolarHBondContact O-SG 2.9Å; I305-C309 WeakPolarHBondContact O-CB 3.34Å; I305-C309 PolarHBondContact O-N 3.37Å; I305-C309 PolarHBondContact O-SG 2.97Å; M306-C309 PolarHBondContact O-N 2.92Å; C309-N313 WeakPolarHBondContact O-CB 3.49Å; C309-N313 PolarHBondContact O-N 3.44Å; C309-N313 PolarHBondContact O-ND2 3.32Å
310K80Confident78.3Confident167 Ų16774.9 Ų74.973%0.72640%0.401SS*.Hα-helixtrans-65-48.1178.5-172176.1-177.8176.70112.1M306 E307 F308 N313 A314M306-K310 WeakPolarHBondContact O-CB 3.43Å; M306-K310 PolarHBondContact O-N 2.97Å; E307-K310 PolarHBondContact O-N 3.32Å; F308-K310 VanDerWaalsContact C-N 3.31Å; F308-K310 PolarHBondContact O-N 3.06Å; K310-N313 PolarHBondContact O-N 2.69Å; K310-A314 WeakPolarHBondContact O-CB 3.38Å; K310-A314 PolarHBondContact O-N 3.31Å
311A82.6Confident77.5Confident33 Ų3375.4 Ų75.427%0.27340%0.4SS..Hα-helixtrans-67.5-38.3-179.200000111.9E307 F308 A314 K315 F339E307-A311 WeakPolarHBondContact O-CB 3.25Å; E307-A311 PolarHBondContact O-N 3.09Å; F308-A311 PolarHBondContact O-N 3.49Å; A311-A314 PolarHBondContact O-N 2.86Å; A311-K315 PolarHBondContact O-N 3.19Å; A311-F339 HydrophobicContact CB-CE1 3.53Å; A311-F339 HydrophobicContact CB-CZ 3.73Å; A311-F339 WeakPolarHBondContact O-CZ 3.25Å
312F82.1Confident76.8Confident34 Ų3473.4 Ų73.415%0.14941%0.412CS..Hα-helixtrans-63.8-48.3176.4177.4-103.2000111.4A288 F308 A314 K315 T316 I325 V327 F339 T341A288-F312 HydrophobicContact CB-CD1 4.42Å; F308-F312 HydrophobicContact CE1-CB 4.25Å; F308-F312 HydrophobicContact CE1-CG 4.46Å; F308-F312 HydrophobicContact CZ-CB 4.21Å; F308-F312 HydrophobicContact CZ-CD2 4.34Å; F308-F312 HydrophobicContact CZ-CG 4.32Å; F308-F312 WeakPolarHBondContact O-CB 3.4Å; F308-F312 PolarHBondContact O-N 3.16Å; F312-A314 VanDerWaalsContact C-N 3.32Å; F312-A314 PolarHBondContact O-N 2.91Å; F312-K315 PolarHBondContact O-N 2.95Å; F312-T316 HydrophobicContact CD2-CG2 4.06Å; F312-T316 HydrophobicContact CE1-CG2 4.3Å; F312-T316 HydrophobicContact CE2-CG2 3.61Å; F312-T316 HydrophobicContact CZ-CG2 3.77Å; F312-T316 WeakPolarHBondContact O-CB 3.4Å; F312-T316 WeakPolarHBondContact O-CG2 3.33Å; F312-T316 PolarHBondContact O-N 3.42Å; F312-T316 PolarHBondContact O-OG1 3.4Å; F312-I325 HydrophobicContact CE2-CG2 4.3Å; F312-I325 HydrophobicContact CZ-CB 4.36Å; F312-V327 HydrophobicContact CD2-CG2 3.68Å; F312-V327 HydrophobicContact CE2-CG2 3.2Å; F312-V327 HydrophobicContact CZ-CG2 4.11Å; F312-F339 HydrophobicContact CB-CE2 4.45Å; F312-F339 HydrophobicContact CD2-CE2 4.4Å; F312-T341 HydrophobicContact CD2-CG2 4.17Å; F312-T341 HydrophobicContact CE2-CG2 4.13Å
313N77.2Confident76.4Confident53 Ų5373.1 Ų73.128%0.28340%0.401SS..Hα-helixtrans-61.4-40.9177.5-68.2-16.3000111.4C309 K310 T316 D317C309-N313 WeakPolarHBondContact O-CB 3.49Å; C309-N313 PolarHBondContact O-N 3.44Å; C309-N313 PolarHBondContact O-ND2 3.32Å; K310-N313 PolarHBondContact O-N 2.69Å; N313-T316 PolarHBondContact O-N 3.13Å; N313-T316 PolarHBondContact O-OG1 3.29Å; N313-D317 PolarHBondContact O-N 3.27Å; N313-D317 VanDerWaalsContact O-N 3.15Å
314A81.9Confident76Confident76 Ų7676.2 Ų76.263%0.62842%0.422SS*.Hα-helixtrans-64.2-40.5177.200000113.3K310 A311 F312 T316K310-A314 WeakPolarHBondContact O-CB 3.38Å; K310-A314 PolarHBondContact O-N 3.31Å; A311-A314 PolarHBondContact O-N 2.86Å; F312-A314 VanDerWaalsContact C-N 3.32Å; F312-A314 PolarHBondContact O-N 2.91Å; A314-T316 VanDerWaalsContact C-N 3.32Å
315K78.6Confident75.8Confident105 Ų10573.2 Ų73.246%0.45741%0.405SS..Hα-helixtrans-72.9-23.7177-73.8-162.8-165.7168.90113.6A311 F312 F339 T341A311-K315 PolarHBondContact O-N 3.19Å; F312-K315 PolarHBondContact O-N 2.95Å; K315-F339 HydrophobicContact CB-CE2 4.36Å; K315-F339 HydrophobicContact CD-CE2 3.53Å; K315-F339 HydrophobicContact CD-CZ 3.51Å; K315-F339 VanDerWaalsContact CE-CZ 3.41Å; K315-F339 HydrophobicContact CG-CE2 4.19Å; K315-F339 HydrophobicContact CG-CZ 3.97Å; K315-F339 PolarHBondContact NZ-O 3.42Å; K315-T341 HydrophobicContact CB-CG2 4.48Å
316T75Confident75.7Confident17 Ų1773.8 Ų73.810%0.10441%0.412CS..Hα-helixtrans-100.6-1.3-174.453.90000113.9F312 N313 A314 S318 I319 I325 T341F312-T316 HydrophobicContact CD2-CG2 4.06Å; F312-T316 HydrophobicContact CE1-CG2 4.3Å; F312-T316 HydrophobicContact CE2-CG2 3.61Å; F312-T316 HydrophobicContact CZ-CG2 3.77Å; F312-T316 WeakPolarHBondContact O-CB 3.4Å; F312-T316 WeakPolarHBondContact O-CG2 3.33Å; F312-T316 PolarHBondContact O-N 3.42Å; F312-T316 PolarHBondContact O-OG1 3.4Å; N313-T316 PolarHBondContact O-N 3.13Å; N313-T316 PolarHBondContact O-OG1 3.29Å; A314-T316 VanDerWaalsContact C-N 3.32Å; T316-S318 PolarHBondContact O-N 3.4Å; T316-I319 PolarHBondContact O-N 2.98Å; T316-I319 VanDerWaalsContact O-O 3.13Å; T316-I325 HydrophobicContact CG2-CD1 3.5Å; T316-I325 HydrophobicContact CG2-CG2 4.4Å; T316-T341 HydrophobicContact CG2-CG2 4.16Å
317D74.4Confident75.8Confident105 Ų10570 Ų7056%0.56140%0.396SS*.THydrogen-bonded Turntrans-64.8-23.9-177.4-161.745.4000113.6N313 K321N313-D317 PolarHBondContact O-N 3.27Å; N313-D317 VanDerWaalsContact O-N 3.15Å; D317-K321 VanDerWaalsContact OD1-CE 3.28Å; D317-K321 WeakPolarHBondContact OD1-CE 3.35Å; D317-K321 IonicContact OD1-NZ 3.61Å; D317-K321 PolarHBondContact OD1-NZ 2.76Å
318S71.3Confident75.9Confident114 Ų11468.6 Ų68.680%0.79739%0.394SS*.THydrogen-bonded Turntrans-82.2-10.717458.70000114.2T316T316-S318 PolarHBondContact O-N 3.4Å
319I70.9Confident76Confident50 Ų5070.4 Ų70.426%0.25640%0.404SS..SBendtrans-98.6142.3177.7-58.2168.1000107.5T316 K321 L323 I325T316-I319 PolarHBondContact O-N 2.98Å; T316-I319 VanDerWaalsContact O-O 3.13Å; I319-K321 PolarHBondContact O-N 2.95Å; I319-L323 HydrophobicContact CG2-CD1 4.25Å; I319-I325 HydrophobicContact CB-CD1 4.02Å; I319-I325 HydrophobicContact CD1-CD1 3.73Å; I319-I325 HydrophobicContact CG1-CD1 4.48Å; I319-I325 HydrophobicContact CG2-CD1 3.78Å; I319-I325 HydrophobicContact CG2-CG1 4.38Å
320E66.4Low76.4Confident112 Ų11273.4 Ų73.452%0.52342%0.422SS..PPolyproline II helixtrans-54.3126.7179-70.4178.8-173.100112.4G322 L323 K352E320-G322 PolarHBondContact O-N 3.12Å; E320-L323 HydrophobicContact CB-CD1 3.93Å; E320-L323 HydrophobicContact CB-CG 4.43Å; E320-L323 PolarHBondContact O-N 3.04Å; E320-K352 IonicContact OE1-NZ 3.54Å; E320-K352 PolarHBondContact OE1-NZ 3.45Å; E320-K352 VanDerWaalsContact OE2-CE 3.23Å; E320-K352 WeakPolarHBondContact OE2-CE 3.42Å; E320-K352 IonicContact OE2-NZ 3.9Å; E320-K352 PolarHBondContact OE2-NZ 3.45Å
321K66.9Low76.7Confident167 Ų16767.9 Ų67.973%0.72640%0.402SS*.THydrogen-bonded Turntrans-62.9125.7-178.1-60.1-174.9-179.7-174.60109.5D317 I319D317-K321 VanDerWaalsContact OD1-CE 3.28Å; D317-K321 WeakPolarHBondContact OD1-CE 3.35Å; D317-K321 IonicContact OD1-NZ 3.61Å; D317-K321 PolarHBondContact OD1-NZ 2.76Å; I319-K321 PolarHBondContact O-N 2.95Å
322G65.2Low76.9Confident79 Ų7971.7 Ų71.781%0.81441%0.41SS*.THydrogen-bonded Turntrans105.1-7.8179.200000115.2E320E320-G322 PolarHBondContact O-N 3.12Å
323L69.3Low77Confident33 Ų3375.4 Ų75.417%0.17345%0.447CS..SBendtrans-72.8129.9168.2-71.8170.4000110.1I319 E320 I325 P344 V348I319-L323 HydrophobicContact CG2-CD1 4.25Å; E320-L323 HydrophobicContact CB-CD1 3.93Å; E320-L323 HydrophobicContact CB-CG 4.43Å; E320-L323 PolarHBondContact O-N 3.04Å; L323-I325 PolarHBondContact O-N 3.31Å; L323-I325 VanDerWaalsContact O-N 3.08Å; L323-P344 HydrophobicContact CB-CG 4.35Å; L323-P344 HydrophobicContact CD1-CG 4.41Å; L323-V348 HydrophobicContact CD2-CG1 3.86Å
324P72.4Confident77.4Confident73 Ų7378.4 Ų78.447%0.47446%0.463SS..  trans-66.9108.117327.1-35.5000110.1P345 V348P324-P345 WeakPolarHBondContact O-CD 3.46Å; P324-V348 HydrophobicContact CG-CB 4.46Å; P324-V348 HydrophobicContact CG-CG1 4.01Å; P324-V348 HydrophobicContact CG-CG2 3.85Å
325I76.4Confident77.2Confident26 Ų2683.5 Ų83.513%0.13347%0.466CS..  trans-97.3114.6178.3-65167.3000108F312 T316 I319 L323 T341 K342F312-I325 HydrophobicContact CE2-CG2 4.3Å; F312-I325 HydrophobicContact CZ-CB 4.36Å; T316-I325 HydrophobicContact CG2-CD1 3.5Å; T316-I325 HydrophobicContact CG2-CG2 4.4Å; I319-I325 HydrophobicContact CB-CD1 4.02Å; I319-I325 HydrophobicContact CD1-CD1 3.73Å; I319-I325 HydrophobicContact CG1-CD1 4.48Å; I319-I325 HydrophobicContact CG2-CD1 3.78Å; I319-I325 HydrophobicContact CG2-CG1 4.38Å; L323-I325 PolarHBondContact O-N 3.31Å; L323-I325 VanDerWaalsContact O-N 3.08Å; I325-T341 HydrophobicContact CG2-CG2 4.36Å; I325-K342 WeakPolarHBondContact CG2-O 3.41Å
326P79.1Confident77.4Confident53 Ų5380.8 Ų80.834%0.34446%0.461SS..  trans-66.6138.7172.16.81.4000110K342P326-K342 HydrophobicContact CB-CB 4.1Å; P326-K342 HydrophobicContact CG-CB 3.88Å; P326-K342 WeakPolarHBondContact O-CB 3.33Å; P326-K342 PolarHBondContact O-N 3.09Å
327V80.2Confident77.9Confident44 Ų4481.5 Ų81.527%0.26746%0.462SS..EExtended strand (participates in β ladder)trans-125.5127.4177.8-170.80000109F308 F312 I329 F339F308-V327 HydrophobicContact CE2-CG1 4.12Å; F308-V327 HydrophobicContact CZ-CG1 4.22Å; F312-V327 HydrophobicContact CD2-CG2 3.68Å; F312-V327 HydrophobicContact CE2-CG2 3.2Å; F312-V327 HydrophobicContact CZ-CG2 4.11Å; V327-I329 HydrophobicContact CG1-CD1 4.4Å; V327-I329 HydrophobicContact CG1-CG1 3.78Å; V327-F339 HydrophobicContact CG1-CB 3.84Å; V327-F339 HydrophobicContact CG1-CD2 3.89Å; V327-F339 HydrophobicContact CG1-CG 4.31Å
328V83.8Confident78.5Confident80 Ų8079.5 Ų79.549%0.48545%0.454SS..EExtended strand (participates in β ladder)trans-96.9121.7168.5-178.60000107.3F339 V340 K342V328-F339 VanDerWaalsContact O-CA 3.29Å; V328-F339 WeakPolarHBondContact O-CA 3.43Å; V328-V340 PolarHBondContact N-O 3.43Å; V328-V340 PolarHBondContact O-N 3.31Å; V328-K342 HydrophobicContact CG2-CG 4.4Å
329I84.6Confident79.3Confident52 Ų5274.8 Ų74.827%0.26742%0.419SS..EExtended strand (participates in β ladder)trans-113.3122.6-178.4-53.4173.6000107.5L298 F308 V327 V331 F337 T338 F339L298-I329 HydrophobicContact CD2-CD1 3.48Å; L298-I329 VanDerWaalsContact CD2-CD1 3.48Å; F308-I329 HydrophobicContact CD2-CD1 3.99Å; F308-I329 HydrophobicContact CE1-CD1 4.45Å; F308-I329 HydrophobicContact CE2-CD1 3.33Å; F308-I329 HydrophobicContact CE2-CG1 3.82Å; F308-I329 HydrophobicContact CZ-CD1 3.6Å; F308-I329 HydrophobicContact CZ-CG1 4.39Å; V327-I329 HydrophobicContact CG1-CD1 4.4Å; V327-I329 HydrophobicContact CG1-CG1 3.78Å; I329-V331 HydrophobicContact CG2-CG2 4.07Å; I329-F337 HydrophobicContact CG2-CB 4.25Å; I329-T338 WeakPolarHBondContact CA-O 3.25Å; I329-F339 HydrophobicContact CG1-CB 4.11Å
330T86.5Confident80Confident68 Ų6876.3 Ų76.342%0.41743%0.43SS..EExtended strand (participates in β ladder)trans-101.4116.1172.6-560000107.4Y332 F337 T338T330-Y332 HydrophobicContact CG2-CE1 4.45Å; T330-F337 CarbonylContact O-C 3.59Å; T330-F337 VanDerWaalsContact O-CA 3.3Å; T330-F337 WeakPolarHBondContact O-CA 3.43Å; T330-T338 PolarHBondContact N-O 2.66Å; T330-T338 PolarHBondContact O-N 3.37Å
331V85.9Confident80.8Confident51 Ų5172.9 Ų72.931%0.30942%0.417SS..EExtended strand (participates in β ladder)trans-100.1124.3177.6-173.90000108.3Q301 V303 I329Q301-V331 HydrophobicContact CB-CG1 4.45Å; Q301-V331 HydrophobicContact CB-CG2 4.19Å; V303-V331 HydrophobicContact CG2-CB 4.25Å; V303-V331 HydrophobicContact CG2-CG1 3.72Å; V303-V331 HydrophobicContact CG2-CG2 3.47Å; V303-V331 VanDerWaalsContact CG2-CG2 3.47Å; I329-V331 HydrophobicContact CG2-CG2 4.07Å
332Y86.5Confident81.6Confident113 Ų11368.7 Ų68.744%0.44340%0.399SS..PPolyproline II helixtrans-88.7162.1177-61.3-84.7000110.8T330 D334 R335 S336 T338T330-Y332 HydrophobicContact CG2-CE1 4.45Å; Y332-D334 VanDerWaalsContact CB-OD1 3.24Å; Y332-D334 WeakPolarHBondContact CB-OD1 3.22Å; Y332-D334 PolarHBondContact O-N 2.97Å; Y332-R335 PolarHBondContact O-N 3.28Å; Y332-S336 WeakPolarHBondContact CB-OG 3.31Å; Y332-S336 VanDerWaalsContact CD2-OG 3.31Å; Y332-S336 WeakPolarHBondContact CD2-OG 3.29Å; Y332-S336 PolarHBondContact N-O 3.29Å; Y332-T338 HydrophobicContact CE2-CG2 3.73Å; Y332-T338 PolarHBondContact OH-OG1 3.49Å
333A83.9Confident82.5Confident112 Ų11266 Ų6693%0.92637%0.367SS*.THydrogen-bonded Turntrans-62.4-24.4-176.700000113.8R335A333-R335 PolarHBondContact O-N 3.37Å
334D86.3Confident83.2Confident116 Ų11664.9 Ų64.962%0.6236%0.362SS*.THydrogen-bonded Turntrans-81.77.2175.965.7-6.4000113.5Y332 S336Y332-D334 VanDerWaalsContact CB-OD1 3.24Å; Y332-D334 WeakPolarHBondContact CB-OD1 3.22Å; Y332-D334 PolarHBondContact O-N 2.97Å; D334-S336 PolarHBondContact O-N 3.16Å; D334-S336 VanDerWaalsContact OD1-CB 3.23Å; D334-S336 WeakPolarHBondContact OD1-CB 3.44Å; D334-S336 PolarHBondContact OD1-N 3.06Å; D334-S336 PolarHBondContact OD1-OG 3.11Å; D334-S336 PolarHBondContact OD2-OG 3.43Å
335R77.8Confident83.9Confident183 Ų18364 Ų6469%0.69136%0.356SS*.SBendtrans68.86.5-174.8-49.3174.9-177.7168.80.1114.6Y332 A333Y332-R335 PolarHBondContact O-N 3.28Å; A333-R335 PolarHBondContact O-N 3.37Å
336S82.2Confident84.4Confident49 Ų4963.5 Ų63.534%0.34336%0.355SS..  trans-70.2155.1165.972.50000109.8Y332 D334Y332-S336 WeakPolarHBondContact CB-OG 3.31Å; Y332-S336 VanDerWaalsContact CD2-OG 3.31Å; Y332-S336 WeakPolarHBondContact CD2-OG 3.29Å; Y332-S336 PolarHBondContact N-O 3.29Å; D334-S336 PolarHBondContact O-N 3.16Å; D334-S336 VanDerWaalsContact OD1-CB 3.23Å; D334-S336 WeakPolarHBondContact OD1-CB 3.44Å; D334-S336 PolarHBondContact OD1-N 3.06Å; D334-S336 PolarHBondContact OD1-OG 3.11Å; D334-S336 PolarHBondContact OD2-OG 3.43Å
337F86Confident84.7Confident31 Ų3162.6 Ų62.614%0.13635%0.353CS..EExtended strand (participates in β ladder)trans-135.4143.4179.968.5-80.5000110.6V303 E307 F308 I329 T330 F339V303-F337 HydrophobicContact CG1-CB 4.03Å; V303-F337 HydrophobicContact CG1-CD1 3.45Å; V303-F337 VanDerWaalsContact CG1-CD1 3.45Å; V303-F337 HydrophobicContact CG1-CD2 4.34Å; V303-F337 HydrophobicContact CG1-CE1 3.96Å; V303-F337 HydrophobicContact CG1-CG 3.66Å; V303-F337 HydrophobicContact CG2-CB 4.34Å; E307-F337 HydrophobicContact CB-CE1 4.13Å; E307-F337 HydrophobicContact CB-CZ 4.1Å; E307-F337 HydrophobicContact CG-CE1 4.07Å; E307-F337 HydrophobicContact CG-CZ 3.93Å; F308-F337 HydrophobicContact CB-CE2 3.83Å; F308-F337 HydrophobicContact CB-CZ 3.85Å; F308-F337 HydrophobicContact CD2-CD2 4.16Å; F308-F337 AromaticContact CD2-CE2 3.81Å; F308-F337 HydrophobicContact CD2-CE2 3.81Å; F308-F337 HydrophobicContact CG-CE2 4.33Å; I329-F337 HydrophobicContact CG2-CB 4.25Å; T330-F337 CarbonylContact O-C 3.59Å; T330-F337 VanDerWaalsContact O-CA 3.3Å; T330-F337 WeakPolarHBondContact O-CA 3.43Å; F337-F339 HydrophobicContact CD2-CD1 4.23Å; F337-F339 AromaticContact CE2-CD1 3.94Å; F337-F339 HydrophobicContact CE2-CD1 3.94Å; F337-F339 HydrophobicContact CE2-CE1 4.41Å
338T87Confident85Confident63 Ų6362.1 Ų62.139%0.38735%0.35SS..EExtended strand (participates in β ladder)trans-115.6147162.853.40000108.5I329 T330 Y332I329-T338 WeakPolarHBondContact CA-O 3.25Å; T330-T338 PolarHBondContact N-O 2.66Å; T330-T338 PolarHBondContact O-N 3.37Å; Y332-T338 HydrophobicContact CE2-CG2 3.73Å; Y332-T338 PolarHBondContact OH-OG1 3.49Å
339F87.9Confident85.1Confident16 Ų1659.3 Ų59.37%0.0733%0.332CS..EExtended strand (participates in β ladder)trans-136.6138.7177.774.1-80.8000111.3F308 A311 F312 K315 V327 V328 I329 F337 T341F308-F339 HydrophobicContact CD2-CD1 4.49Å; F308-F339 HydrophobicContact CD2-CG 4.47Å; F308-F339 HydrophobicContact CE2-CB 4.14Å; F308-F339 HydrophobicContact CE2-CD2 4.39Å; F308-F339 HydrophobicContact CE2-CG 4.13Å; A311-F339 HydrophobicContact CB-CE1 3.53Å; A311-F339 HydrophobicContact CB-CZ 3.73Å; A311-F339 WeakPolarHBondContact O-CZ 3.25Å; F312-F339 HydrophobicContact CB-CE2 4.45Å; F312-F339 HydrophobicContact CD2-CE2 4.4Å; K315-F339 HydrophobicContact CB-CE2 4.36Å; K315-F339 HydrophobicContact CD-CE2 3.53Å; K315-F339 HydrophobicContact CD-CZ 3.51Å; K315-F339 VanDerWaalsContact CE-CZ 3.41Å; K315-F339 HydrophobicContact CG-CE2 4.19Å; K315-F339 HydrophobicContact CG-CZ 3.97Å; K315-F339 PolarHBondContact NZ-O 3.42Å; V327-F339 HydrophobicContact CG1-CB 3.84Å; V327-F339 HydrophobicContact CG1-CD2 3.89Å; V327-F339 HydrophobicContact CG1-CG 4.31Å; V328-F339 VanDerWaalsContact O-CA 3.29Å; V328-F339 WeakPolarHBondContact O-CA 3.43Å; I329-F339 HydrophobicContact CG1-CB 4.11Å; F337-F339 HydrophobicContact CD2-CD1 4.23Å; F337-F339 AromaticContact CE2-CD1 3.94Å; F337-F339 HydrophobicContact CE2-CD1 3.94Å; F337-F339 HydrophobicContact CE2-CE1 4.41Å; F339-T341 HydrophobicContact CD2-CG2 4.11Å; F339-T341 HydrophobicContact CE2-CG2 3.96Å
340V84.9Confident85.3Confident81 Ų8156.8 Ų56.849%0.49132%0.319SS..EExtended strand (participates in β ladder)trans-114.9117.6175.8-1770000107.8V328V328-V340 PolarHBondContact N-O 3.43Å; V328-V340 PolarHBondContact O-N 3.31Å
341T84.9Confident85.3Confident40 Ų4056.9 Ų56.925%0.24531%0.314CS..EExtended strand (participates in β ladder)trans-77.6128172.548.30000109.1F312 K315 T316 I325 F339F312-T341 HydrophobicContact CD2-CG2 4.17Å; F312-T341 HydrophobicContact CE2-CG2 4.13Å; K315-T341 HydrophobicContact CB-CG2 4.48Å; T316-T341 HydrophobicContact CG2-CG2 4.16Å; I325-T341 HydrophobicContact CG2-CG2 4.36Å; F339-T341 HydrophobicContact CD2-CG2 4.11Å; F339-T341 HydrophobicContact CE2-CG2 3.96Å
342K83.3Confident85.2Confident80 Ų8059.6 Ų59.635%0.34832%0.321SS..PPolyproline II helixtrans-96.9156.3176.2-65.5-63.5-171-178.60110.4I325 P326 V328 D386I325-K342 WeakPolarHBondContact CG2-O 3.41Å; P326-K342 HydrophobicContact CB-CB 4.1Å; P326-K342 HydrophobicContact CG-CB 3.88Å; P326-K342 WeakPolarHBondContact O-CB 3.33Å; P326-K342 PolarHBondContact O-N 3.09Å; V328-K342 HydrophobicContact CG2-CG 4.4Å; K342-D386 WeakPolarHBondContact CD-OD1 3.45Å; K342-D386 IonicContact NZ-OD1 3.68Å; K342-D386 PolarHBondContact NZ-OD1 3.17Å
343T83.8Confident85.2Confident23 Ų2356 Ų5614%0.14132%0.315CS..PPolyproline II helixtrans-61.5146.4171.4520000110.6T382 K383 D386T343-T382 WeakPolarHBondContact CG2-O 3.36Å; T343-K383 WeakPolarHBondContact OG1-CG 3.46Å; T343-K383 PolarHBondContact OG1-NZ 2.69Å; T343-D386 VanDerWaalsContact CB-OD2 3.29Å; T343-D386 WeakPolarHBondContact CB-OD2 3.44Å; T343-D386 VanDerWaalsContact CG2-OD2 3.25Å; T343-D386 WeakPolarHBondContact CG2-OD2 3.42Å; T343-D386 PolarHBondContact N-OD2 3.26Å; T343-D386 WeakPolarHBondContact OG1-CB 3.32Å; T343-D386 PolarHBondContact OG1-OD2 3.33Å
344P84.4Confident85.3Confident9 Ų951.8 Ų51.86%0.05828%0.28CS..PPolyproline II helixtrans-52150.2177-27.134.6000112.5L323 A346 L349 K383L323-P344 HydrophobicContact CB-CG 4.35Å; L323-P344 HydrophobicContact CD1-CG 4.41Å; P344-A346 PolarHBondContact O-N 2.93Å; P344-L349 HydrophobicContact CB-CD1 4.49Å; P344-L349 HydrophobicContact CB-CD2 4.08Å; P344-L349 HydrophobicContact CB-CG 4.13Å; P344-L349 HydrophobicContact CG-CD2 4.35Å; P344-K383 PolarHBondContact O-NZ 3.49Å
345P85.8Confident85.1Confident54 Ų5449.6 Ų49.635%0.35129%0.285SS..PPolyproline II helixtrans-57.7140.5176.1-23.333.4000111.2P324 A347 V348 L349P324-P345 WeakPolarHBondContact O-CD 3.46Å; P345-A347 PolarHBondContact O-N 3.46Å; P345-A347 VanDerWaalsContact O-N 3.13Å; P345-V348 HydrophobicContact CB-CG2 4.23Å; P345-V348 HydrophobicContact CG-CG2 4.31Å; P345-V348 WeakPolarHBondContact O-CB 3.47Å; P345-V348 PolarHBondContact O-N 3.24Å; P345-L349 PolarHBondContact O-N 3.22Å
346A86.8Confident85.3Confident15 Ų1542.2 Ų42.212%0.12426%0.259CS..Hα-helixtrans-54.4-37.5-179.500000111.9P344 V348 L349 L350 K383 T402P344-A346 PolarHBondContact O-N 2.93Å; A346-V348 VanDerWaalsContact C-N 3.26Å; A346-V348 PolarHBondContact O-N 3.12Å; A346-L349 PolarHBondContact O-N 3.28Å; A346-L350 WeakPolarHBondContact O-CB 3.49Å; A346-L350 WeakPolarHBondContact O-CG 3.49Å; A346-L350 PolarHBondContact O-N 3.08Å; A346-K383 HydrophobicContact CB-CD 4.25Å; A346-T402 HydrophobicContact CB-CG2 4.19Å
347A86.1Confident85Confident35 Ų3549.6 Ų49.629%0.28929%0.285SS..Hα-helixtrans-58.8-33176.300000113.9P345 K351 M406P345-A347 PolarHBondContact O-N 3.46Å; P345-A347 VanDerWaalsContact O-N 3.13Å; A347-K351 WeakPolarHBondContact O-CG 3.26Å; A347-K351 PolarHBondContact O-N 3.37Å; A347-K351 VanDerWaalsContact O-N 3.09Å; A347-M406 HydrophobicContact CB-SD 3.66Å
348V85.9Confident84.6Confident34 Ų3452 Ų5221%0.20631%0.305CS..Hα-helixtrans-78-42.3179.5178.40000110.5L323 P324 P345 A346 L350 K351 K352L323-V348 HydrophobicContact CD2-CG1 3.86Å; P324-V348 HydrophobicContact CG-CB 4.46Å; P324-V348 HydrophobicContact CG-CG1 4.01Å; P324-V348 HydrophobicContact CG-CG2 3.85Å; P345-V348 HydrophobicContact CB-CG2 4.23Å; P345-V348 HydrophobicContact CG-CG2 4.31Å; P345-V348 WeakPolarHBondContact O-CB 3.47Å; P345-V348 PolarHBondContact O-N 3.24Å; A346-V348 VanDerWaalsContact C-N 3.26Å; A346-V348 PolarHBondContact O-N 3.12Å; V348-L350 VanDerWaalsContact C-N 3.33Å; V348-L350 PolarHBondContact O-N 3.44Å; V348-K351 PolarHBondContact O-N 2.99Å; V348-K352 PolarHBondContact O-N 3.42Å
349L87.1Confident84.1Confident20 Ų2050.5 Ų50.511%0.10530%0.302CS..Hα-helixtrans-62.7-41.3175-63.4176000111.2P344 P345 A346 K352 A353 I379P344-L349 HydrophobicContact CB-CD1 4.49Å; P344-L349 HydrophobicContact CB-CD2 4.08Å; P344-L349 HydrophobicContact CB-CG 4.13Å; P344-L349 HydrophobicContact CG-CD2 4.35Å; P345-L349 PolarHBondContact O-N 3.22Å; A346-L349 PolarHBondContact O-N 3.28Å; L349-K352 PolarHBondContact O-N 3.03Å; L349-A353 WeakPolarHBondContact O-CB 3.37Å; L349-A353 PolarHBondContact O-N 2.96Å; L349-I379 HydrophobicContact CB-CD1 4.37Å; L349-I379 HydrophobicContact CB-CG1 4.25Å; L349-I379 HydrophobicContact CB-CG2 3.87Å; L349-I379 HydrophobicContact CD1-CG2 3.91Å
350L88.3Confident83.6Confident0 Ų050.5 Ų50.50%030%0.304CS..Hα-helixtrans-63.6-42.2174.7-72.5169.6000112.3A346 V348 K352 A353 A354 I371 L376 I379 I399 T402 A403 M406 L408A346-L350 WeakPolarHBondContact O-CB 3.49Å; A346-L350 WeakPolarHBondContact O-CG 3.49Å; A346-L350 PolarHBondContact O-N 3.08Å; V348-L350 VanDerWaalsContact C-N 3.33Å; V348-L350 PolarHBondContact O-N 3.44Å; L350-K352 VanDerWaalsContact C-N 3.3Å; L350-K352 PolarHBondContact O-N 2.96Å; L350-A353 PolarHBondContact O-N 3.44Å; L350-A354 VanDerWaalsContact O-CB 3.29Å; L350-A354 WeakPolarHBondContact O-CB 3.43Å; L350-A354 PolarHBondContact O-N 3.26Å; L350-I371 HydrophobicContact CD2-CD1 3.39Å; L350-L376 HydrophobicContact CD2-CD2 3.71Å; L350-I379 HydrophobicContact CD2-CD1 3.85Å; L350-I379 HydrophobicContact CG-CD1 4.38Å; L350-I399 HydrophobicContact CD1-CG2 4.36Å; L350-I399 HydrophobicContact CD2-CG2 3.95Å; L350-I399 HydrophobicContact CG-CG2 4.35Å; L350-T402 HydrophobicContact CD1-CG2 3.83Å; L350-A403 HydrophobicContact CD1-CB 4.05Å; L350-A403 HydrophobicContact CD2-CB 4.04Å; L350-M406 HydrophobicContact CB-SD 4.33Å; L350-M406 HydrophobicContact CD1-SD 4.26Å; L350-L408 HydrophobicContact CB-CD1 4.1Å; L350-L408 HydrophobicContact CD2-CD1 4.45Å
351K86.1Confident83.3Confident70 Ų7050.5 Ų50.530%0.30432%0.321SS..Hα-helixtrans-59.6-42.7174.4-78.5173.5-174.3-172.10112A347 V348 G355 I356 M406A347-K351 WeakPolarHBondContact O-CG 3.26Å; A347-K351 PolarHBondContact O-N 3.37Å; A347-K351 VanDerWaalsContact O-N 3.09Å; V348-K351 PolarHBondContact O-N 2.99Å; K351-G355 WeakPolarHBondContact O-CA 3.43Å; K351-G355 PolarHBondContact O-N 2.58Å; K351-I356 HydrophobicContact CB-CG1 4.22Å; K351-I356 WeakPolarHBondContact CB-O 3.32Å; K351-I356 HydrophobicContact CG-CD1 4.24Å; K351-I356 HydrophobicContact CG-CG1 4.01Å; K351-I356 PolarHBondContact O-N 3.49Å; K351-M406 HydrophobicContact CD-CE 4.27Å; K351-M406 HydrophobicContact CG-CE 3.61Å
352K85.3Confident83.2Confident108 Ų10855 Ų5547%0.4734%0.337SS..Hα-helixtrans-65-48.5177.9-174.9-173.8169.9-161.70111.2E320 V348 L349 L350 A354 G355E320-K352 IonicContact OE1-NZ 3.54Å; E320-K352 PolarHBondContact OE1-NZ 3.45Å; E320-K352 VanDerWaalsContact OE2-CE 3.23Å; E320-K352 WeakPolarHBondContact OE2-CE 3.42Å; E320-K352 IonicContact OE2-NZ 3.9Å; E320-K352 PolarHBondContact OE2-NZ 3.45Å; V348-K352 PolarHBondContact O-N 3.42Å; L349-K352 PolarHBondContact O-N 3.03Å; L350-K352 VanDerWaalsContact C-N 3.3Å; L350-K352 PolarHBondContact O-N 2.96Å; K352-A354 VanDerWaalsContact C-N 3.34Å; K352-A354 PolarHBondContact O-N 3.06Å; K352-G355 PolarHBondContact O-N 2.99Å
353A85.9Confident82.9Confident37 Ų3752.8 Ų52.831%0.30633%0.331SS..Hα-helixtrans-64.6-36.1179.700000113L349 L350 I371 I379L349-A353 WeakPolarHBondContact O-CB 3.37Å; L349-A353 PolarHBondContact O-N 2.96Å; L350-A353 PolarHBondContact O-N 3.44Å; A353-I371 HydrophobicContact CB-CD1 3.98Å; A353-I379 HydrophobicContact CB-CD1 3.96Å
354A85.3Confident82.6Confident23 Ų2359.1 Ų59.119%0.1936%0.364CS..Hα-helixtrans-88.8-5.4178.600000114.2L350 K352 I356 L408L350-A354 VanDerWaalsContact O-CB 3.29Å; L350-A354 WeakPolarHBondContact O-CB 3.43Å; L350-A354 PolarHBondContact O-N 3.26Å; K352-A354 VanDerWaalsContact C-N 3.34Å; K352-A354 PolarHBondContact O-N 3.06Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 HydrophobicContact CB-CG1 4.16Å; A354-I356 HydrophobicContact CB-CG2 4.41Å; A354-I356 PolarHBondContact O-N 3.46Å; A354-L408 HydrophobicContact CB-CD1 4.16Å; A354-L408 HydrophobicContact CB-CD2 3.71Å
355G83.1Confident82.1Confident71 Ų7166.9 Ų66.973%0.73240%0.397SS*.THydrogen-bonded Turntrans67.222.7-178.700000115.2K351 K352K351-G355 WeakPolarHBondContact O-CA 3.43Å; K351-G355 PolarHBondContact O-N 2.58Å; K352-G355 PolarHBondContact O-N 2.99Å
356I81.8Confident81.9Confident28 Ų2868.5 Ų68.514%0.14440%0.402CS..  trans-101.9142.9-175.659.2162.6000112.4K351 A354 V368 M406 L408K351-I356 HydrophobicContact CB-CG1 4.22Å; K351-I356 WeakPolarHBondContact CB-O 3.32Å; K351-I356 HydrophobicContact CG-CD1 4.24Å; K351-I356 HydrophobicContact CG-CG1 4.01Å; K351-I356 PolarHBondContact O-N 3.49Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 HydrophobicContact CB-CG1 4.16Å; A354-I356 HydrophobicContact CB-CG2 4.41Å; A354-I356 PolarHBondContact O-N 3.46Å; I356-V368 HydrophobicContact CD1-CG2 3.98Å; I356-V368 VanDerWaalsContact CG2-O 3.27Å; I356-V368 WeakPolarHBondContact CG2-O 3.26Å; I356-M406 HydrophobicContact CD1-CE 4.14Å; I356-L408 HydrophobicContact CD1-CD2 3.85Å; I356-L408 HydrophobicContact CD1-CG 4.44Å
357K75.7Confident81.7Confident204 Ų20473.2 Ų73.289%0.88742%0.42SS*.SBendtrans-83-36.5178.8-66-178.1179.4-179.80112.9
358S77.5Confident81.4Confident81 Ų8174 Ų7457%0.56642%0.421SS*.SBendtrans-137.7147.9-177.456.20000111.2
359G75.8Confident81.3Confident31 Ų3173.4 Ų73.432%0.3242%0.422SS..  trans-73.8166.4169.800000111.4
360S79Confident81.3Confident16 Ų1678.7 Ų78.711%0.11244%0.444CS..  trans-69.3133175.3-176.20000111.7K362 D366 M406S360-K362 PolarHBondContact O-N 3.33Å; S360-K362 PolarHBondContact OG-N 3.48Å; S360-K362 PolarHBondContact OG-O 2.81Å; S360-D366 WeakPolarHBondContact CB-O 3.37Å; S360-D366 PolarHBondContact OG-O 3.23Å; S360-M406 WeakPolarHBondContact CB-O 2.91Å; S360-M406 PolarHBondContact N-O 3.03Å
361G77.8Confident81.3Confident81 Ų8178.8 Ų78.884%0.83544%0.444SS*.SBendtrans-71-16.9169.300000113.3
362K83Confident81.5Confident135 Ų13577.2 Ų77.259%0.58744%0.443SS*.SBendtrans-13476.8175.5-66.9177.3-174.61660109.4S360 N364 K365 D366S360-K362 PolarHBondContact O-N 3.33Å; S360-K362 PolarHBondContact OG-N 3.48Å; S360-K362 PolarHBondContact OG-O 2.81Å; K362-N364 PolarHBondContact O-N 3.23Å; K362-K365 HydrophobicContact CB-CB 4.42Å; K362-K365 PolarHBondContact O-N 3.42Å; K362-D366 PolarHBondContact O-N 2.9Å
363P76.6Confident81.7Confident34 Ų3478.2 Ų78.222%0.22144%0.443CS..THydrogen-bonded Turntrans-55.7-26.4-172.3-26.234.5000115.2K367 S405P363-K367 PolarHBondContact O-NZ 3.31Å; P363-S405 VanDerWaalsContact CB-O 3.26Å; P363-S405 WeakPolarHBondContact CB-O 3.26Å; P363-S405 WeakPolarHBondContact CG-O 3.48Å
364N76.6Confident81.9Confident156 Ų15679.6 Ų79.683%0.83446%0.455SS*.THydrogen-bonded Turntrans-80-21.5180-67-17.3000113.8K362K362-N364 PolarHBondContact O-N 3.23Å
365K75.5Confident82.1Confident172 Ų17281.5 Ų81.575%0.74846%0.46SS*.THydrogen-bonded Turntrans-112.5-46.1-177.4-67.5-170.5177.2-171.80112.1K362K362-K365 HydrophobicContact CB-CB 4.42Å; K362-K365 PolarHBondContact O-N 3.42Å
366D80.8Confident82.4Confident88 Ų8878.2 Ų78.247%0.47143%0.425SS..  trans-106.9106.4-171.2-52.9-37.1000109.2S360 K362S360-D366 WeakPolarHBondContact CB-O 3.37Å; S360-D366 PolarHBondContact OG-O 3.23Å; K362-D366 PolarHBondContact O-N 2.9Å
367K82.3Confident82.7Confident113 Ų11381 Ų8149%0.49144%0.438SS..  trans-84.7130.3174.6-60.7-58.6-176.9-169.70109.7P363 G407 V409P363-K367 PolarHBondContact O-NZ 3.31Å; K367-G407 CarbonylContact C-O 3.54Å; K367-G407 VanDerWaalsContact CA-O 3.22Å; K367-G407 WeakPolarHBondContact CA-O 3.48Å; K367-G407 WeakPolarHBondContact CD-O 3.38Å; K367-V409 HydrophobicContact CB-CG2 4.02Å; K367-V409 HydrophobicContact CD-CG2 3.92Å; K367-V409 HydrophobicContact CG-CG2 3.79Å
368V80.7Confident83.4Confident52 Ų5277.3 Ų77.332%0.31542%0.424SS..  trans-107.4-7.1-170.6-71.30000113.9I356 M406 G407 L408I356-V368 HydrophobicContact CD1-CG2 3.98Å; I356-V368 VanDerWaalsContact CG2-O 3.27Å; I356-V368 WeakPolarHBondContact CG2-O 3.26Å; V368-M406 VanDerWaalsContact CG2-O 3.3Å; V368-M406 WeakPolarHBondContact CG2-O 3.49Å; V368-G407 PolarHBondContact N-O 3.26Å; V368-L408 HydrophobicContact CG2-CD2 4.4Å
369G82.7Confident83.9Confident22 Ų2274 Ų7423%0.22740%0.4CS..EExtended strand (participates in β ladder)trans176.5178.6178.600000113.3L408 V409G369-L408 WeakPolarHBondContact O-CA 3.22Å; G369-V409 PolarHBondContact O-N 2.97Å
370K87Confident84.5Confident130 Ų13072.6 Ų72.657%0.56539%0.385SS*.EExtended strand (participates in β ladder)trans-120.9147.4177.7-66173.4167.3-155.50109.8V409 E411K370-V409 CarbonylContact C-O 3.56Å; K370-V409 VanDerWaalsContact CA-O 3.28Å; K370-V409 WeakPolarHBondContact CA-O 3.34Å; K370-V409 HydrophobicContact CG-CB 4.34Å; K370-E411 VanDerWaalsContact CD-OE1 3.27Å; K370-E411 WeakPolarHBondContact CD-OE1 3.37Å; K370-E411 WeakPolarHBondContact CE-OE1 3.39Å; K370-E411 IonicContact NZ-OE1 3.31Å; K370-E411 PolarHBondContact NZ-OE1 3.03Å; K370-E411 IonicContact NZ-OE2 3.97Å
371I89.1Confident84.9Confident2 Ų277 Ų771%0.0140%0.404CS..EExtended strand (participates in β ladder)trans-141.5138.3175.3-163171.1000110L350 A353 Q375 L376 I379 A403 L408 V409 V410 E411L350-I371 HydrophobicContact CD2-CD1 3.39Å; A353-I371 HydrophobicContact CB-CD1 3.98Å; I371-Q375 HydrophobicContact CD1-CB 4.3Å; I371-Q375 HydrophobicContact CG1-CB 3.93Å; I371-L376 HydrophobicContact CD1-CD2 3.91Å; I371-L376 HydrophobicContact CD1-CG 4.41Å; I371-L376 HydrophobicContact CG2-CD1 4.42Å; I371-L376 HydrophobicContact CG2-CD2 4.11Å; I371-L376 HydrophobicContact CG2-CG 4.27Å; I371-I379 HydrophobicContact CD1-CD1 4.13Å; I371-A403 HydrophobicContact CG2-CB 4.41Å; I371-L408 HydrophobicContact CG2-CB 4.41Å; I371-V409 PolarHBondContact N-O 3.13Å; I371-V410 HydrophobicContact CG2-CG2 4.2Å; I371-V410 WeakPolarHBondContact O-CA 3.31Å; I371-E411 PolarHBondContact O-N 3.36Å
372S90.9Very high85.3Confident38 Ų3876.9 Ų76.927%0.26639%0.387SS..EExtended strand (participates in β ladder)trans-82.3153.9179.263.80000112.1A374 Q375 L376 E411S372-A374 PolarHBondContact O-N 3.35Å; S372-Q375 PolarHBondContact O-N 3.5Å; S372-Q375 VanDerWaalsContact OG-CG 3.24Å; S372-Q375 WeakPolarHBondContact OG-CG 3.25Å; S372-Q375 PolarHBondContact OG-N 3.36Å; S372-Q375 PolarHBondContact OG-OE1 2.94Å; S372-L376 PolarHBondContact O-N 3.05Å; S372-E411 CarbonylContact C-O 3.55Å; S372-E411 WeakPolarHBondContact CA-O 3.23Å
373R88.5Confident85.5Confident128 Ų12872 Ų7248%0.48337%0.366SS..Hα-helixtrans-60.9-32.9174.8-168.5170.9177.9179.6-4.1113L376 Q377 E411R373-L376 WeakPolarHBondContact O-CB 3.43Å; R373-L376 PolarHBondContact O-N 2.93Å; R373-Q377 PolarHBondContact O-N 3.33Å; R373-Q377 VanDerWaalsContact O-N 3.08Å; R373-E411 PolarHBondContact N-O 3.45Å
374A89.8Confident85.8Confident67 Ų6772.3 Ų72.355%0.55437%0.371SS*.Hα-helixtrans-61.8-44.2174.700000112.4S372 L376 Q377 E378S372-A374 PolarHBondContact O-N 3.35Å; A374-L376 VanDerWaalsContact C-N 3.34Å; A374-L376 PolarHBondContact O-N 2.9Å; A374-Q377 WeakPolarHBondContact O-CB 3.45Å; A374-Q377 PolarHBondContact O-N 3.43Å; A374-E378 PolarHBondContact O-N 3.35Å
375Q89.6Confident86Confident63 Ų6369.2 Ų69.229%0.29437%0.367SS..Hα-helixtrans-65.2-37.3176.3-73168.7-41.200112I371 S372 Q377 E378 I379I371-Q375 HydrophobicContact CD1-CB 4.3Å; I371-Q375 HydrophobicContact CG1-CB 3.93Å; S372-Q375 PolarHBondContact O-N 3.5Å; S372-Q375 VanDerWaalsContact OG-CG 3.24Å; S372-Q375 WeakPolarHBondContact OG-CG 3.25Å; S372-Q375 PolarHBondContact OG-N 3.36Å; S372-Q375 PolarHBondContact OG-OE1 2.94Å; Q375-Q377 VanDerWaalsContact C-N 3.29Å; Q375-Q377 PolarHBondContact O-N 2.85Å; Q375-E378 PolarHBondContact O-N 3.39Å; Q375-I379 VanDerWaalsContact O-CG1 3.24Å; Q375-I379 WeakPolarHBondContact O-CG1 3.45Å; Q375-I379 PolarHBondContact O-N 2.92Å
376L89.2Confident86.2Confident1 Ų163.4 Ų63.41%0.00535%0.345CS..Hα-helixtrans-61.9-39.7174.9-67.2173.5000111.5L350 I371 S372 R373 A374 I379 A380 T396 I399 E400 A403 V410L350-L376 HydrophobicContact CD2-CD2 3.71Å; I371-L376 HydrophobicContact CD1-CD2 3.91Å; I371-L376 HydrophobicContact CD1-CG 4.41Å; I371-L376 HydrophobicContact CG2-CD1 4.42Å; I371-L376 HydrophobicContact CG2-CD2 4.11Å; I371-L376 HydrophobicContact CG2-CG 4.27Å; S372-L376 PolarHBondContact O-N 3.05Å; R373-L376 WeakPolarHBondContact O-CB 3.43Å; R373-L376 PolarHBondContact O-N 2.93Å; A374-L376 VanDerWaalsContact C-N 3.34Å; A374-L376 PolarHBondContact O-N 2.9Å; L376-I379 PolarHBondContact O-N 2.96Å; L376-A380 WeakPolarHBondContact O-CB 3.33Å; L376-A380 PolarHBondContact O-N 3.29Å; L376-T396 HydrophobicContact CB-CG2 4.01Å; L376-I399 HydrophobicContact CD2-CG2 3.69Å; L376-E400 HydrophobicContact CD1-CB 4.36Å; L376-E400 HydrophobicContact CD1-CG 4.12Å; L376-A403 HydrophobicContact CD2-CB 4.28Å; L376-V410 HydrophobicContact CD1-CG1 3.64Å; L376-V410 HydrophobicContact CD1-CG2 4.11Å
377Q89.3Confident86.2Confident88 Ų8861.1 Ų61.141%0.41133%0.331SS..Hα-helixtrans-67.6-40177.4-173.4175-10.800112.2R373 A374 Q375 A380 Q381 I392R373-Q377 PolarHBondContact O-N 3.33Å; R373-Q377 VanDerWaalsContact O-N 3.08Å; A374-Q377 WeakPolarHBondContact O-CB 3.45Å; A374-Q377 PolarHBondContact O-N 3.43Å; Q375-Q377 VanDerWaalsContact C-N 3.29Å; Q375-Q377 PolarHBondContact O-N 2.85Å; Q377-A380 WeakPolarHBondContact O-CB 3.3Å; Q377-A380 PolarHBondContact O-N 3.02Å; Q377-Q381 WeakPolarHBondContact O-CG 3.36Å; Q377-Q381 PolarHBondContact O-N 3.48Å; Q377-I392 HydrophobicContact CG-CG2 4.14Å
378E89.3Confident85.8Confident125 Ų12563 Ų6358%0.58435%0.352SS*.Hα-helixtrans-63.7-42.7174.9-172.7-177.2-178.800111.9A374 Q375 A380 Q381 T382A374-E378 PolarHBondContact O-N 3.35Å; Q375-E378 PolarHBondContact O-N 3.39Å; E378-A380 VanDerWaalsContact C-N 3.29Å; E378-A380 PolarHBondContact O-N 3.47Å; E378-Q381 PolarHBondContact O-N 3.44Å; E378-T382 PolarHBondContact O-N 3.19Å; E378-T382 PolarHBondContact O-OG1 3.23Å
379I89.3Confident85.4Confident13 Ų1362 Ų627%0.06735%0.353CS..Hα-helixtrans-62.8-38.9173.8-65.3167.4000110.2L349 L350 A353 I371 Q375 L376 T382 K383 I399L349-I379 HydrophobicContact CB-CD1 4.37Å; L349-I379 HydrophobicContact CB-CG1 4.25Å; L349-I379 HydrophobicContact CB-CG2 3.87Å; L349-I379 HydrophobicContact CD1-CG2 3.91Å; L350-I379 HydrophobicContact CD2-CD1 3.85Å; L350-I379 HydrophobicContact CG-CD1 4.38Å; A353-I379 HydrophobicContact CB-CD1 3.96Å; I371-I379 HydrophobicContact CD1-CD1 4.13Å; Q375-I379 VanDerWaalsContact O-CG1 3.24Å; Q375-I379 WeakPolarHBondContact O-CG1 3.45Å; Q375-I379 PolarHBondContact O-N 2.92Å; L376-I379 PolarHBondContact O-N 2.96Å; I379-T382 PolarHBondContact O-N 3.12Å; I379-K383 WeakPolarHBondContact O-CB 3.33Å; I379-K383 PolarHBondContact O-N 3.06Å; I379-I399 HydrophobicContact CB-CD1 4.4Å; I379-I399 HydrophobicContact CB-CG2 4.5Å; I379-I399 HydrophobicContact CG2-CD1 3.89Å; I379-I399 HydrophobicContact CG2-CG1 4.5Å; I379-I399 HydrophobicContact CG2-CG2 4.04Å
380A88.3Confident84.8Confident1 Ų165.6 Ų65.61%0.00838%0.381CS..Hα-helixtrans-63.3-44.2176.600000112.3L376 Q377 E378 K383 A384 M395 I399L376-A380 WeakPolarHBondContact O-CB 3.33Å; L376-A380 PolarHBondContact O-N 3.29Å; Q377-A380 WeakPolarHBondContact O-CB 3.3Å; Q377-A380 PolarHBondContact O-N 3.02Å; E378-A380 VanDerWaalsContact C-N 3.29Å; E378-A380 PolarHBondContact O-N 3.47Å; A380-K383 CarbonylContact O-C 3.53Å; A380-K383 PolarHBondContact O-N 2.8Å; A380-A384 WeakPolarHBondContact O-CA 3.27Å; A380-A384 PolarHBondContact O-N 3.41Å; A380-M395 HydrophobicContact CB-CB 4.08Å; A380-I399 HydrophobicContact CB-CD1 3.53Å; A380-I399 VanDerWaalsContact N-CD1 3.34Å
381Q87.3Confident84.7Confident107 Ų10764.6 Ų64.650%0.538%0.382SS..Hα-helixtrans-62.7-44.9176-72.6172.7-5.800111.5Q377 E378 K383 A384Q377-Q381 WeakPolarHBondContact O-CG 3.36Å; Q377-Q381 PolarHBondContact O-N 3.48Å; E378-Q381 PolarHBondContact O-N 3.44Å; Q381-K383 PolarHBondContact O-N 3.34Å; Q381-A384 VanDerWaalsContact O-CB 3.31Å; Q381-A384 WeakPolarHBondContact O-CB 3.37Å; Q381-A384 PolarHBondContact O-N 3.27Å
382T85.3Confident84.5Confident80 Ų8068.4 Ų68.449%0.49140%0.401SS..Hα-helixtrans-60.7-36.6177.2-54.80000111.6T343 E378 I379T343-T382 WeakPolarHBondContact CG2-O 3.36Å; E378-T382 PolarHBondContact O-N 3.19Å; E378-T382 PolarHBondContact O-OG1 3.23Å; I379-T382 PolarHBondContact O-N 3.12Å
383K87Confident84.3Confident33 Ų3371.9 Ų71.914%0.14341%0.413CS..Hα-helixtrans-90-4.7-178.4-149.3178.1173.754.30114.2T343 P344 A346 I379 A380 Q381 A385 D386 M387T343-K383 WeakPolarHBondContact OG1-CG 3.46Å; T343-K383 PolarHBondContact OG1-NZ 2.69Å; P344-K383 PolarHBondContact O-NZ 3.49Å; A346-K383 HydrophobicContact CB-CD 4.25Å; I379-K383 WeakPolarHBondContact O-CB 3.33Å; I379-K383 PolarHBondContact O-N 3.06Å; A380-K383 CarbonylContact O-C 3.53Å; A380-K383 PolarHBondContact O-N 2.8Å; Q381-K383 PolarHBondContact O-N 3.34Å; K383-A385 PolarHBondContact O-N 2.91Å; K383-D386 PolarHBondContact O-N 2.87Å; K383-M387 HydrophobicContact CB-CG 4.1Å; K383-M387 HydrophobicContact CB-SD 3.76Å; K383-M387 HydrophobicContact CD-CG 3.92Å; K383-M387 HydrophobicContact CD-SD 3.79Å; K383-M387 HydrophobicContact CG-CG 3.81Å; K383-M387 HydrophobicContact CG-SD 3.93Å; K383-M387 WeakPolarHBondContact O-CG 3.39Å; K383-M387 PolarHBondContact O-N 3.18Å
384A83.7Confident84.2Confident39 Ų3967.3 Ų67.332%0.32240%0.403SS..G310 helixtrans-56.7-32.4-170.300000113.4A380 Q381 D386 M395A380-A384 WeakPolarHBondContact O-CA 3.27Å; A380-A384 PolarHBondContact O-N 3.41Å; Q381-A384 VanDerWaalsContact O-CB 3.31Å; Q381-A384 WeakPolarHBondContact O-CB 3.37Å; Q381-A384 PolarHBondContact O-N 3.27Å; A384-D386 PolarHBondContact O-N 2.99Å; A384-M395 HydrophobicContact CB-CE 4.06Å; A384-M395 HydrophobicContact CB-SD 3.86Å
385A80.6Confident84.1Confident92 Ų9265 Ų6576%0.7638%0.381SS*.G310 helixtrans-64.7-22.617800000114.3K383K383-A385 PolarHBondContact O-N 2.91Å
386D80.3Confident84.1Confident50 Ų5062.8 Ų62.827%0.26737%0.371SS..G310 helixtrans-118.95.7-176.9-70-52.3000113.8K342 T343 K383 A384K342-D386 WeakPolarHBondContact CD-OD1 3.45Å; K342-D386 IonicContact NZ-OD1 3.68Å; K342-D386 PolarHBondContact NZ-OD1 3.17Å; T343-D386 VanDerWaalsContact CB-OD2 3.29Å; T343-D386 WeakPolarHBondContact CB-OD2 3.44Å; T343-D386 VanDerWaalsContact CG2-OD2 3.25Å; T343-D386 WeakPolarHBondContact CG2-OD2 3.42Å; T343-D386 PolarHBondContact N-OD2 3.26Å; T343-D386 WeakPolarHBondContact OG1-CB 3.32Å; T343-D386 PolarHBondContact OG1-OD2 3.33Å; K383-D386 PolarHBondContact O-N 2.87Å; A384-D386 PolarHBondContact O-N 2.99Å
387M79.7Confident84.1Confident39 Ų3970.1 Ų70.119%0.19240%0.399CS..  trans-104137.8179.3-72.7-173.170.400111.3K383 G389 M395 I399K383-M387 HydrophobicContact CB-CG 4.1Å; K383-M387 HydrophobicContact CB-SD 3.76Å; K383-M387 HydrophobicContact CD-CG 3.92Å; K383-M387 HydrophobicContact CD-SD 3.79Å; K383-M387 HydrophobicContact CG-CG 3.81Å; K383-M387 HydrophobicContact CG-SD 3.93Å; K383-M387 WeakPolarHBondContact O-CG 3.39Å; K383-M387 PolarHBondContact O-N 3.18Å; M387-G389 PolarHBondContact O-N 3.39Å; M387-M395 HydrophobicContact CB-CG 4.21Å; M387-M395 HydrophobicContact CB-SD 3.99Å; M387-M395 HydrophobicContact CE-CB 4.1Å; M387-M395 HydrophobicContact CE-CG 4.37Å; M387-M395 HydrophobicContact SD-CB 4.32Å; M387-I399 HydrophobicContact CE-CD1 4.37Å; M387-I399 HydrophobicContact CE-CG1 4.14Å; M387-I399 HydrophobicContact SD-CD1 3.9Å; M387-I399 HydrophobicContact SD-CG1 4.16Å
388T74.3Confident84.1Confident152 Ų15269 Ų6993%0.93340%0.4SS*.  trans-85.2101.7169.3-34.40000108.3
389G72.4Confident84.2Confident32 Ų3263 Ų6333%0.3337%0.373SS..  trans-159.9135.9175.800000110.5M387M387-G389 PolarHBondContact O-N 3.39Å
390A69.6Low84.2Confident98 Ų9864.6 Ų64.681%0.8138%0.38SS*.SBendtrans-68.8-37.9179.700000112
391D85.2Confident84.2Confident109 Ų10966.3 Ų66.358%0.58340%0.398SS*.SBendtrans-130.2155.8-174.6-62.1-47.3000112.1E393 A394 M395D391-E393 PolarHBondContact O-N 3.35Å; D391-A394 WeakPolarHBondContact O-CB 3.41Å; D391-A394 PolarHBondContact O-N 3.04Å; D391-M395 PolarHBondContact O-N 3.34Å; D391-M395 VanDerWaalsContact O-N 3.15Å
392I85.3Confident84.2Confident81 Ų8163.4 Ų63.442%0.41539%0.387SS..Hα-helixtrans-56.7-34.9175.6-64.3172000111.4Q377 M395 T396Q377-I392 HydrophobicContact CG-CG2 4.14Å; I392-M395 HydrophobicContact CG1-CE 4.18Å; I392-M395 PolarHBondContact O-N 2.98Å; I392-T396 WeakPolarHBondContact O-CB 3.35Å; I392-T396 PolarHBondContact O-N 3.44Å; I392-T396 PolarHBondContact O-OG1 3.45Å
393E86.6Confident84.4Confident112 Ų11259.6 Ų59.652%0.52336%0.364SS..Hα-helixtrans-64.8-41.5175.7-69.9-158.6163.700113D391 M395 T396 R397D391-E393 PolarHBondContact O-N 3.35Å; E393-M395 VanDerWaalsContact C-N 3.3Å; E393-M395 PolarHBondContact O-N 3.32Å; E393-T396 WeakPolarHBondContact O-CB 3.37Å; E393-T396 PolarHBondContact O-N 2.92Å; E393-R397 WeakPolarHBondContact O-CG 3.41Å; E393-R397 PolarHBondContact O-N 2.88Å; E393-R397 IonicContact OE2-NH2 3.73Å; E393-R397 PolarHBondContact OE2-NH2 3.47Å; E393-R397 VanDerWaalsContact OE2-NH2 3.12Å
394A87.2Confident84.4Confident32 Ų3264.8 Ų64.826%0.26438%0.383SS..Hα-helixtrans-65.7-37.7178.600000111.1D391 S398D391-A394 WeakPolarHBondContact O-CB 3.41Å; D391-A394 PolarHBondContact O-N 3.04Å; A394-S398 PolarHBondContact O-N 2.93Å; A394-S398 VanDerWaalsContact O-N 3.15Å; A394-S398 PolarHBondContact O-OG 2.79Å
395M87.4Confident84.5Confident19 Ų1966.5 Ų66.59%0.09439%0.392CS..Hα-helixtrans-64.4-42.4172.6-66.5-171.1-9200111.5A380 A384 M387 D391 I392 E393 S398 I399A380-M395 HydrophobicContact CB-CB 4.08Å; A384-M395 HydrophobicContact CB-CE 4.06Å; A384-M395 HydrophobicContact CB-SD 3.86Å; M387-M395 HydrophobicContact CB-CG 4.21Å; M387-M395 HydrophobicContact CB-SD 3.99Å; M387-M395 HydrophobicContact CE-CB 4.1Å; M387-M395 HydrophobicContact CE-CG 4.37Å; M387-M395 HydrophobicContact SD-CB 4.32Å; D391-M395 PolarHBondContact O-N 3.34Å; D391-M395 VanDerWaalsContact O-N 3.15Å; I392-M395 HydrophobicContact CG1-CE 4.18Å; I392-M395 PolarHBondContact O-N 2.98Å; E393-M395 VanDerWaalsContact C-N 3.3Å; E393-M395 PolarHBondContact O-N 3.32Å; M395-S398 WeakPolarHBondContact O-CB 3.13Å; M395-S398 PolarHBondContact O-N 2.86Å; M395-I399 PolarHBondContact O-N 3.41Å; M395-I399 VanDerWaalsContact O-N 3.1Å
396T89.8Confident84.7Confident15 Ų1563 Ų639%0.09236%0.36CS..Hα-helixtrans-61.8-45.3177-54.30000111.3L376 I392 E393 S398 I399 E400L376-T396 HydrophobicContact CB-CG2 4.01Å; I392-T396 WeakPolarHBondContact O-CB 3.35Å; I392-T396 PolarHBondContact O-N 3.44Å; I392-T396 PolarHBondContact O-OG1 3.45Å; E393-T396 WeakPolarHBondContact O-CB 3.37Å; E393-T396 PolarHBondContact O-N 2.92Å; T396-S398 VanDerWaalsContact C-N 3.27Å; T396-S398 PolarHBondContact O-N 3.35Å; T396-I399 PolarHBondContact O-N 2.85Å; T396-E400 WeakPolarHBondContact O-CB 3.26Å; T396-E400 PolarHBondContact O-N 2.86Å
397R88.2Confident84.9Confident156 Ų15660.6 Ų60.659%0.58935%0.347SS*.Hα-helixtrans-60.2-35.6175.3-69.4178.1-140.8159.65.4112.7E393 E400 G401E393-R397 WeakPolarHBondContact O-CG 3.41Å; E393-R397 PolarHBondContact O-N 2.88Å; E393-R397 IonicContact OE2-NH2 3.73Å; E393-R397 PolarHBondContact OE2-NH2 3.47Å; E393-R397 VanDerWaalsContact OE2-NH2 3.12Å; R397-E400 WeakPolarHBondContact O-CB 3.26Å; R397-E400 PolarHBondContact O-N 3.29Å; R397-G401 PolarHBondContact O-N 3.32Å
398S89.2Confident85.3Confident63 Ų6358.9 Ų58.944%0.44134%0.339SS..Hα-helixtrans-68.8-40.2178.1-60.20000112A394 M395 T396 G401 T402A394-S398 PolarHBondContact O-N 2.93Å; A394-S398 VanDerWaalsContact O-N 3.15Å; A394-S398 PolarHBondContact O-OG 2.79Å; M395-S398 WeakPolarHBondContact O-CB 3.13Å; M395-S398 PolarHBondContact O-N 2.86Å; T396-S398 VanDerWaalsContact C-N 3.27Å; T396-S398 PolarHBondContact O-N 3.35Å; S398-G401 PolarHBondContact O-N 3.13Å; S398-T402 PolarHBondContact O-N 3.16Å; S398-T402 PolarHBondContact O-OG1 3.39Å
399I90.6Very high85.8Confident1 Ų154.3 Ų54.31%0.00531%0.31CS..Hα-helixtrans-70.1-36.1174.6-68.5160.9000110.7L350 L376 I379 A380 M387 M395 T396 G401 T402 A403L350-I399 HydrophobicContact CD1-CG2 4.36Å; L350-I399 HydrophobicContact CD2-CG2 3.95Å; L350-I399 HydrophobicContact CG-CG2 4.35Å; L376-I399 HydrophobicContact CD2-CG2 3.69Å; I379-I399 HydrophobicContact CB-CD1 4.4Å; I379-I399 HydrophobicContact CB-CG2 4.5Å; I379-I399 HydrophobicContact CG2-CD1 3.89Å; I379-I399 HydrophobicContact CG2-CG1 4.5Å; I379-I399 HydrophobicContact CG2-CG2 4.04Å; A380-I399 HydrophobicContact CB-CD1 3.53Å; A380-I399 VanDerWaalsContact N-CD1 3.34Å; M387-I399 HydrophobicContact CE-CD1 4.37Å; M387-I399 HydrophobicContact CE-CG1 4.14Å; M387-I399 HydrophobicContact SD-CD1 3.9Å; M387-I399 HydrophobicContact SD-CG1 4.16Å; M395-I399 PolarHBondContact O-N 3.41Å; M395-I399 VanDerWaalsContact O-N 3.1Å; T396-I399 PolarHBondContact O-N 2.85Å; I399-G401 VanDerWaalsContact C-N 3.32Å; I399-G401 PolarHBondContact O-N 3.47Å; I399-T402 CarbonylContact O-C 3.56Å; I399-T402 WeakPolarHBondContact O-CA 3.48Å; I399-T402 WeakPolarHBondContact O-CB 3.35Å; I399-T402 PolarHBondContact O-N 3.47Å; I399-A403 PolarHBondContact O-N 3.33Å
400E89.7Confident86.5Confident46 Ų4654.6 Ų54.622%0.21531%0.306CS..Hα-helixtrans-58.1-44173.1-159.2-166.3161.600111.8L376 T396 R397 T402 A403 R404 V410L376-E400 HydrophobicContact CD1-CB 4.36Å; L376-E400 HydrophobicContact CD1-CG 4.12Å; T396-E400 WeakPolarHBondContact O-CB 3.26Å; T396-E400 PolarHBondContact O-N 2.86Å; R397-E400 WeakPolarHBondContact O-CB 3.26Å; R397-E400 PolarHBondContact O-N 3.29Å; E400-T402 VanDerWaalsContact C-N 3.26Å; E400-T402 PolarHBondContact O-N 3.48Å; E400-A403 WeakPolarHBondContact O-CB 3.25Å; E400-A403 PolarHBondContact O-N 3.44Å; E400-A403 VanDerWaalsContact O-N 3.15Å; E400-R404 WeakPolarHBondContact O-CG 3.47Å; E400-R404 PolarHBondContact O-N 3.18Å; E400-R404 IonicContact OE1-CZ 3.12Å; E400-R404 VanDerWaalsContact OE1-CZ 3.31Å; E400-R404 IonicContact OE1-NE 2.64Å; E400-R404 PolarHBondContact OE1-NE 2.86Å; E400-R404 IonicContact OE1-NH2 2.8Å; E400-R404 PolarHBondContact OE1-NH2 2.95Å; E400-R404 IonicContact OE2-NH2 3.23Å; E400-V410 HydrophobicContact CG-CG1 4.48Å; E400-V410 HydrophobicContact CG-CG2 3.82Å
401G88.4Confident87.2Confident37 Ų3754.2 Ų54.238%0.38129%0.287SS..Hα-helixtrans-58.3-38.5173.100000112.8R397 S398 I399 S405R397-G401 PolarHBondContact O-N 3.32Å; S398-G401 PolarHBondContact O-N 3.13Å; I399-G401 VanDerWaalsContact C-N 3.32Å; I399-G401 PolarHBondContact O-N 3.47Å; G401-S405 PolarHBondContact O-N 3.01Å; G401-S405 VanDerWaalsContact O-N 3.12Å
402T88.5Confident86.8Confident45 Ų4557.7 Ų57.728%0.27631%0.306SS..Hα-helixtrans-69.7-37.9175.3-51.20000111.9A346 L350 S398 I399 E400 S405 M406A346-T402 HydrophobicContact CB-CG2 4.19Å; L350-T402 HydrophobicContact CD1-CG2 3.83Å; S398-T402 PolarHBondContact O-N 3.16Å; S398-T402 PolarHBondContact O-OG1 3.39Å; I399-T402 CarbonylContact O-C 3.56Å; I399-T402 WeakPolarHBondContact O-CA 3.48Å; I399-T402 WeakPolarHBondContact O-CB 3.35Å; I399-T402 PolarHBondContact O-N 3.47Å; E400-T402 VanDerWaalsContact C-N 3.26Å; E400-T402 PolarHBondContact O-N 3.48Å; T402-S405 PolarHBondContact O-N 3.03Å; T402-S405 PolarHBondContact O-OG 3.05Å; T402-M406 WeakPolarHBondContact O-CG 3.36Å; T402-M406 PolarHBondContact O-N 3.5Å
403A88.7Confident86.9Confident0 Ų056.6 Ų56.60%030%0.301CS..Hα-helixtrans-64.2-43.3175.700000111.6L350 I371 L376 I399 E400 S405 M406 G407 L408L350-A403 HydrophobicContact CD1-CB 4.05Å; L350-A403 HydrophobicContact CD2-CB 4.04Å; I371-A403 HydrophobicContact CG2-CB 4.41Å; L376-A403 HydrophobicContact CD2-CB 4.28Å; I399-A403 PolarHBondContact O-N 3.33Å; E400-A403 WeakPolarHBondContact O-CB 3.25Å; E400-A403 PolarHBondContact O-N 3.44Å; E400-A403 VanDerWaalsContact O-N 3.15Å; A403-S405 PolarHBondContact O-N 2.98Å; A403-M406 PolarHBondContact O-N 2.94Å; A403-G407 PolarHBondContact O-N 2.83Å; A403-L408 HydrophobicContact CB-CB 4.16Å; A403-L408 HydrophobicContact CB-CD1 4.22Å; A403-L408 WeakPolarHBondContact O-CB 3.45Å; A403-L408 PolarHBondContact O-N 3.44Å
404R86.5Confident86.9Confident143 Ų14353.6 Ų53.654%0.5429%0.289SS..Hα-helixtrans-63.3-41.3176.7-69.8178.8-170.4172.2-1.4112.3E400 M406 G407E400-R404 WeakPolarHBondContact O-CG 3.47Å; E400-R404 PolarHBondContact O-N 3.18Å; E400-R404 IonicContact OE1-CZ 3.12Å; E400-R404 VanDerWaalsContact OE1-CZ 3.31Å; E400-R404 IonicContact OE1-NE 2.64Å; E400-R404 PolarHBondContact OE1-NE 2.86Å; E400-R404 IonicContact OE1-NH2 2.8Å; E400-R404 PolarHBondContact OE1-NH2 2.95Å; E400-R404 IonicContact OE2-NH2 3.23Å; R404-M406 PolarHBondContact O-N 3.37Å; R404-G407 PolarHBondContact O-N 3.37Å
405S86.7Confident86.9Confident74 Ų7454.8 Ų54.852%0.51729%0.29SS..Hα-helixtrans-68.4-18.9177.472.20000113.3P363 G401 T402 A403P363-S405 VanDerWaalsContact CB-O 3.26Å; P363-S405 WeakPolarHBondContact CB-O 3.26Å; P363-S405 WeakPolarHBondContact CG-O 3.48Å; G401-S405 PolarHBondContact O-N 3.01Å; G401-S405 VanDerWaalsContact O-N 3.12Å; T402-S405 PolarHBondContact O-N 3.03Å; T402-S405 PolarHBondContact O-OG 3.05Å; A403-S405 PolarHBondContact O-N 2.98Å
406M84.7Confident86.8Confident19 Ų1956.9 Ų56.99%0.09430%0.302CS..Hα-helixtrans-86.7-10.7171.7-72.3-17259.400114.2A347 L350 K351 I356 S360 V368 T402 A403 R404A347-M406 HydrophobicContact CB-SD 3.66Å; L350-M406 HydrophobicContact CB-SD 4.33Å; L350-M406 HydrophobicContact CD1-SD 4.26Å; K351-M406 HydrophobicContact CD-CE 4.27Å; K351-M406 HydrophobicContact CG-CE 3.61Å; I356-M406 HydrophobicContact CD1-CE 4.14Å; S360-M406 WeakPolarHBondContact CB-O 2.91Å; S360-M406 PolarHBondContact N-O 3.03Å; V368-M406 VanDerWaalsContact CG2-O 3.3Å; V368-M406 WeakPolarHBondContact CG2-O 3.49Å; T402-M406 WeakPolarHBondContact O-CG 3.36Å; T402-M406 PolarHBondContact O-N 3.5Å; A403-M406 PolarHBondContact O-N 2.94Å; R404-M406 PolarHBondContact O-N 3.37Å
407G85.3Confident86.6Confident0 Ų059.6 Ų59.60%032%0.315CS..THydrogen-bonded Turntrans85.223.2-174.100000114.1K367 V368 A403 R404K367-G407 CarbonylContact C-O 3.54Å; K367-G407 VanDerWaalsContact CA-O 3.22Å; K367-G407 WeakPolarHBondContact CA-O 3.48Å; K367-G407 WeakPolarHBondContact CD-O 3.38Å; V368-G407 PolarHBondContact N-O 3.26Å; A403-G407 PolarHBondContact O-N 2.83Å; R404-G407 PolarHBondContact O-N 3.37Å
408L86.7Confident86.5Confident2 Ų253.1 Ų53.11%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-84142.2170.8-64.3172.9000110.7L350 A354 I356 V368 G369 I371 A403L350-L408 HydrophobicContact CB-CD1 4.1Å; L350-L408 HydrophobicContact CD2-CD1 4.45Å; A354-L408 HydrophobicContact CB-CD1 4.16Å; A354-L408 HydrophobicContact CB-CD2 3.71Å; I356-L408 HydrophobicContact CD1-CD2 3.85Å; I356-L408 HydrophobicContact CD1-CG 4.44Å; V368-L408 HydrophobicContact CG2-CD2 4.4Å; G369-L408 WeakPolarHBondContact O-CA 3.22Å; I371-L408 HydrophobicContact CG2-CB 4.41Å; A403-L408 HydrophobicContact CB-CB 4.16Å; A403-L408 HydrophobicContact CB-CD1 4.22Å; A403-L408 WeakPolarHBondContact O-CB 3.45Å; A403-L408 PolarHBondContact O-N 3.44Å
409V85.9Confident86.4Confident56 Ų5652.4 Ų52.434%0.33929%0.286SS..EExtended strand (participates in β ladder)trans-93.5128.6171.4-179.20000108.3K367 G369 K370 I371K367-V409 HydrophobicContact CB-CG2 4.02Å; K367-V409 HydrophobicContact CD-CG2 3.92Å; K367-V409 HydrophobicContact CG-CG2 3.79Å; G369-V409 PolarHBondContact O-N 2.97Å; K370-V409 CarbonylContact C-O 3.56Å; K370-V409 VanDerWaalsContact CA-O 3.28Å; K370-V409 WeakPolarHBondContact CA-O 3.34Å; K370-V409 HydrophobicContact CG-CB 4.34Å; I371-V409 PolarHBondContact N-O 3.13Å
410V86.6Confident86Confident39 Ų3956.4 Ų56.424%0.23631%0.308CS..EExtended strand (participates in β ladder)trans-90.9121.6178.6-176.50000107.8I371 L376 E400I371-V410 HydrophobicContact CG2-CG2 4.2Å; I371-V410 WeakPolarHBondContact O-CA 3.31Å; L376-V410 HydrophobicContact CD1-CG1 3.64Å; L376-V410 HydrophobicContact CD1-CG2 4.11Å; E400-V410 HydrophobicContact CG-CG1 4.48Å; E400-V410 HydrophobicContact CG-CG2 3.82Å
411E83.8Confident85.7Confident90 Ų9057.3 Ų57.342%0.42132%0.316SS..EExtended strand (participates in β ladder)trans-106.1142172.6-65.4-174.7156.800108.8K370 I371 S372 R373K370-E411 VanDerWaalsContact CD-OE1 3.27Å; K370-E411 WeakPolarHBondContact CD-OE1 3.37Å; K370-E411 WeakPolarHBondContact CE-OE1 3.39Å; K370-E411 IonicContact NZ-OE1 3.31Å; K370-E411 PolarHBondContact NZ-OE1 3.03Å; K370-E411 IonicContact NZ-OE2 3.97Å; I371-E411 PolarHBondContact O-N 3.36Å; S372-E411 CarbonylContact C-O 3.55Å; S372-E411 WeakPolarHBondContact CA-O 3.23Å; R373-E411 PolarHBondContact N-O 3.45Å
412D77.1Confident85.5Confident182 Ų18259.1 Ų59.197%0.97331%0.31SS*.  trans-67.80-178.2-76.3-49.8000113

Retrieved 412 of 412 residues in 810.9 ms (Link to these results)