A0A077ZKG1_TRITR Loading...

cysteine desulfurase

AlphaFold DB , UniProt , Accession A0A077ZKG1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 479 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
1M53.9Low82.7Confident202 Ų20256.2 Ų56.2100%0.99530%0.301SS*.  0107.30-71.2-172.1-7600106.3D27M1-D27 HydrophobicContact CG-CB 4.46Å
2V65.8Low82.6Confident54 Ų5456.8 Ų56.833%0.32730%0.299SS..  trans-88.4-9.8-168.4-136.20000112.1Y6 L26V2-Y6 HydrophobicContact CB-CD2 3.71Å; V2-Y6 HydrophobicContact CB-CE2 4.15Å; V2-Y6 HydrophobicContact CB-CG 4.13Å; V2-Y6 HydrophobicContact CG1-CD1 4.25Å; V2-Y6 HydrophobicContact CG1-CD2 3.36Å; V2-Y6 HydrophobicContact CG1-CE1 4.18Å; V2-Y6 HydrophobicContact CG1-CE2 3.31Å; V2-Y6 HydrophobicContact CG1-CG 3.86Å; V2-Y6 WeakPolarHBondContact O-CD2 2.99Å; V2-L26 HydrophobicContact CG2-CB 4Å; V2-L26 HydrophobicContact CG2-CD2 3.91Å; V2-L26 HydrophobicContact CG2-CG 4.37Å; V2-L26 PolarHBondContact N-O 3.2Å
3G66.7Low82.1Confident34 Ų3460.8 Ų60.835%0.35132%0.321SS..  trans75.6-175.3173.200000114D5 Y6G3-D5 PolarHBondContact O-N 3.4Å; G3-D5 VanDerWaalsContact O-N 3.16Å; G3-Y6 PolarHBondContact O-N 2.74Å
4D77.3Confident81.7Confident134 Ų13463.8 Ų63.872%0.71735%0.349SS*.THydrogen-bonded Turntrans-69.4-7.5-175.1-64.9-34.6000114.2Y6 R53D4-Y6 PolarHBondContact O-N 3.45Å; D4-R53 WeakPolarHBondContact O-CD 3.09Å
5D88.9Confident81.7Confident113 Ų11359.6 Ų59.660%0.60433%0.327SS*.THydrogen-bonded Turntrans-72.5-14.3179-75.1-24.1000113.3G3 R53 C54G3-D5 PolarHBondContact O-N 3.4Å; G3-D5 VanDerWaalsContact O-N 3.16Å; D5-R53 CarbonylContact O-C 3.59Å; D5-R53 WeakPolarHBondContact O-CA 3.32Å; D5-C54 PolarHBondContact O-N 3.48Å
6Y92.7Very high82Confident80 Ų8057.7 Ų57.731%0.31432%0.317SS..EExtended strand (participates in β ladder)trans-116.2158.6-175.2-63.8-97000111.4V2 G3 D4 T28 C54 I56V2-Y6 HydrophobicContact CB-CD2 3.71Å; V2-Y6 HydrophobicContact CB-CE2 4.15Å; V2-Y6 HydrophobicContact CB-CG 4.13Å; V2-Y6 HydrophobicContact CG1-CD1 4.25Å; V2-Y6 HydrophobicContact CG1-CD2 3.36Å; V2-Y6 HydrophobicContact CG1-CE1 4.18Å; V2-Y6 HydrophobicContact CG1-CE2 3.31Å; V2-Y6 HydrophobicContact CG1-CG 3.86Å; V2-Y6 WeakPolarHBondContact O-CD2 2.99Å; G3-Y6 PolarHBondContact O-N 2.74Å; D4-Y6 PolarHBondContact O-N 3.45Å; Y6-T28 VanDerWaalsContact C-OG1 3.28Å; Y6-T28 PolarHBondContact O-OG1 2.72Å; Y6-C54 CarbonylContact C-O 3.57Å; Y6-C54 WeakPolarHBondContact CA-O 3.28Å; Y6-C54 HydrophobicContact CD1-CB 3.68Å; Y6-C54 HydrophobicContact CE1-CB 3.8Å; Y6-C54 HydrophobicContact CG-CB 4.4Å; Y6-I56 HydrophobicContact CD1-CD1 4.04Å; Y6-I56 HydrophobicContact CD1-CG1 4.4Å
7V95.1Very high82.2Confident0 Ų063.9 Ų63.90%034%0.343CS..EExtended strand (participates in β ladder)trans-148.2130.9170.960.80000108.5V9 A29 A31 V50 R53 C54 C55 I56V7-V9 HydrophobicContact CG1-CG2 4.2Å; V7-A29 HydrophobicContact CG2-CB 4.18Å; V7-A31 HydrophobicContact CG2-CB 3.83Å; V7-V50 HydrophobicContact CG1-CB 4.39Å; V7-V50 HydrophobicContact CG1-CG1 4Å; V7-R53 HydrophobicContact CG1-CB 4.11Å; V7-C54 PolarHBondContact N-O 3.04Å; V7-C55 HydrophobicContact CG1-CB 4.23Å; V7-C55 WeakPolarHBondContact CG1-SG 3.34Å; V7-C55 WeakPolarHBondContact O-CA 3.45Å; V7-I56 PolarHBondContact O-N 3.39Å
8V94.4Very high82.4Confident0 Ų065 Ų650%034%0.342CS..EExtended strand (participates in β ladder)trans-84.7130.8174.8179.70000108.8A19 L22 A23 L26 T28 A29 I30 A31 V58V8-A19 HydrophobicContact CG1-CB 3.91Å; V8-A19 WeakPolarHBondContact CG1-O 3.46Å; V8-L22 HydrophobicContact CG1-CB 4.25Å; V8-L22 HydrophobicContact CG1-CD2 4.14Å; V8-L22 HydrophobicContact CG2-CD2 4.23Å; V8-L22 HydrophobicContact CG2-CG 4.24Å; V8-A23 HydrophobicContact CB-CB 4.03Å; V8-A23 HydrophobicContact CG2-CB 4.11Å; V8-L26 HydrophobicContact CG2-CD1 4.05Å; V8-T28 HydrophobicContact CG2-CG2 3.75Å; V8-A29 PolarHBondContact N-O 3.15Å; V8-I30 CarbonylContact O-C 3.57Å; V8-I30 VanDerWaalsContact O-CA 3.27Å; V8-I30 WeakPolarHBondContact O-CA 3.13Å; V8-A31 PolarHBondContact O-N 3.41Å; V8-V58 HydrophobicContact CG1-CG2 3.73Å
9V94.7Very high82.7Confident0 Ų061.6 Ų61.60%032%0.324CS..EExtended strand (participates in β ladder)trans-117.4129.7-172.9-173.50000111.2V7 A31 V33 C55 I56 M57 V58 L75V7-V9 HydrophobicContact CG1-CG2 4.2Å; V9-A31 VanDerWaalsContact CA-O 3.3Å; V9-A31 WeakPolarHBondContact CA-O 3.41Å; V9-A31 HydrophobicContact CG2-CB 4.28Å; V9-V33 HydrophobicContact CG1-CG2 3.53Å; V9-C55 HydrophobicContact CG2-CB 3.73Å; V9-I56 PolarHBondContact N-O 2.9Å; V9-M57 HydrophobicContact CB-CG 4.11Å; V9-M57 HydrophobicContact CG1-CG 4.31Å; V9-M57 WeakPolarHBondContact O-CA 3.44Å; V9-V58 PolarHBondContact O-N 3.31Å; V9-L75 HydrophobicContact CG1-CD1 4.08Å; V9-L75 HydrophobicContact CG1-CD2 4.07Å; V9-L75 HydrophobicContact CG2-CD1 4.39Å; V9-L75 HydrophobicContact CG2-CD2 4.18Å
10S92.3Very high83.1Confident0 Ų065.5 Ų65.50%033%0.334CS..EExtended strand (participates in β ladder)trans-90.3118.1166-167.20000109.9K12 G15 V16 A31 V33S10-K12 PolarHBondContact O-N 2.95Å; S10-K12 PolarHBondContact OG-O 2.86Å; S10-G15 WeakPolarHBondContact OG-CA 3.37Å; S10-V16 PolarHBondContact OG-N 3.49Å; S10-V16 VanDerWaalsContact OG-N 3.17Å; S10-A31 PolarHBondContact N-O 3.01Å; S10-V33 PolarHBondContact O-N 2.76Å
11P87.5Confident83.2Confident1 Ų165.6 Ų65.61%0.00634%0.341CS..SBendtrans-79.2-5.3-179.733.8-36.5000113.4V35 V58 V67 F68 A71P11-V35 VanDerWaalsContact O-CG2 3.27Å; P11-V35 WeakPolarHBondContact O-CG2 3.4Å; P11-V58 WeakPolarHBondContact CD-O 3.31Å; P11-V67 HydrophobicContact CB-CG1 4.14Å; P11-F68 HydrophobicContact CG-CZ 4.48Å; P11-A71 HydrophobicContact CB-CB 3.94Å
12K81.7Confident84.8Confident64 Ų6458.3 Ų58.328%0.27831%0.306SS..SBendtrans-148.4151.6178.562.1-169.2-175.5-1600110.4S10 S14 G15 D59S10-K12 PolarHBondContact O-N 2.95Å; S10-K12 PolarHBondContact OG-O 2.86Å; K12-S14 WeakPolarHBondContact CD-OG 3.43Å; K12-S14 WeakPolarHBondContact CG-OG 2.94Å; K12-S14 PolarHBondContact O-N 2.73Å; K12-G15 PolarHBondContact O-N 2.79Å; K12-D59 WeakPolarHBondContact CE-OD1 3.38Å; K12-D59 WeakPolarHBondContact CE-OD2 3.31Å; K12-D59 IonicContact NZ-OD1 3.97Å; K12-D59 PolarHBondContact NZ-OD1 3.14Å; K12-D59 IonicContact NZ-OD2 2.71Å; K12-D59 PolarHBondContact NZ-OD2 3.42Å
13N76.6Confident86Confident109 Ų10956 Ų5658%0.58329%0.292SS*.G310 helixtrans-60.6-32.4-179.5-75.6-27.5000113.5G15 V16N13-G15 PolarHBondContact O-N 2.82Å; N13-V16 VanDerWaalsContact O-CG2 3.25Å; N13-V16 WeakPolarHBondContact O-CG2 3.39Å
14S76.9Confident87Confident102 Ų10260.9 Ų60.971%0.71331%0.306SS*.G310 helixtrans-69.9-14.4177.455.60000114K12K12-S14 WeakPolarHBondContact CD-OG 3.43Å; K12-S14 WeakPolarHBondContact CG-OG 2.94Å; K12-S14 PolarHBondContact O-N 2.73Å
15G80.9Confident87.5Confident1 Ų163.9 Ų63.91%0.0131%0.309CS..G310 helixtrans-92.5-5.5-178.600000115.3S10 K12 N13 Q17 R18 A19S10-G15 WeakPolarHBondContact OG-CA 3.37Å; K12-G15 PolarHBondContact O-N 2.79Å; N13-G15 PolarHBondContact O-N 2.82Å; G15-Q17 PolarHBondContact O-N 3.1Å; G15-R18 WeakPolarHBondContact O-CB 3.07Å; G15-R18 PolarHBondContact O-N 3.22Å; G15-A19 PolarHBondContact O-N 2.69Å; G15-A19 VanDerWaalsContact O-N 3.16Å
16V86.7Confident87.4Confident29 Ų2960.2 Ų60.218%0.17629%0.289CS..Hα-helixtrans-61.8-39.9-164.8174.40000113.1S10 N13 R18 A19 R20 I30 I32S10-V16 PolarHBondContact OG-N 3.49Å; S10-V16 VanDerWaalsContact OG-N 3.17Å; N13-V16 VanDerWaalsContact O-CG2 3.25Å; N13-V16 WeakPolarHBondContact O-CG2 3.39Å; V16-R18 PolarHBondContact O-N 3.05Å; V16-A19 PolarHBondContact O-N 3.31Å; V16-R20 WeakPolarHBondContact O-CB 3.3Å; V16-R20 PolarHBondContact O-N 3.18Å; V16-I30 HydrophobicContact CG1-CD1 4.25Å; V16-I32 HydrophobicContact CB-CD1 4.35Å; V16-I32 HydrophobicContact CG1-CD1 3.75Å; V16-I32 HydrophobicContact CG1-CG1 4.34Å; V16-I32 HydrophobicContact CG2-CD1 3.59Å; V16-I32 HydrophobicContact CG2-CG1 3.89Å; V16-I32 HydrophobicContact CG2-CG2 3.98Å
17Q84.7Confident87.2Confident163 Ų16361.5 Ų61.576%0.76230%0.301SS*.Hα-helixtrans-61.1-36180-172.2175.22.300111.8G15 R20 S21G15-Q17 PolarHBondContact O-N 3.1Å; Q17-R20 WeakPolarHBondContact O-CB 3.37Å; Q17-R20 PolarHBondContact O-N 3.32Å; Q17-S21 PolarHBondContact O-N 3.13Å; Q17-S21 PolarHBondContact O-OG 3.1Å
18R86.3Confident87.1Confident84 Ų8462.7 Ų62.732%0.31731%0.308SS..Hα-helixtrans-74.4-44.1179.5-174.2-168.6-43.4-157.74.6112.2G15 V16 R20 S21 L22 V58 D60G15-R18 WeakPolarHBondContact O-CB 3.07Å; G15-R18 PolarHBondContact O-N 3.22Å; V16-R18 PolarHBondContact O-N 3.05Å; R18-R20 PolarHBondContact O-N 2.95Å; R18-S21 PolarHBondContact O-N 3.08Å; R18-L22 PolarHBondContact O-N 2.82Å; R18-V58 HydrophobicContact CG-CG1 4.29Å; R18-D60 IonicContact CZ-OD2 3.27Å; R18-D60 IonicContact NH1-OD1 2.75Å; R18-D60 IonicContact NH1-OD2 3.33Å; R18-D60 PolarHBondContact NH1-OD2 2.97Å; R18-D60 IonicContact NH2-OD2 3.67Å; R18-D60 PolarHBondContact NH2-OD2 3.41Å
19A88.9Confident87Confident0 Ų064.5 Ų64.50%032%0.324CS..Hα-helixtrans-56.3-40.5171.700000110.4V8 G15 V16 L22 A23 I30V8-A19 HydrophobicContact CG1-CB 3.91Å; V8-A19 WeakPolarHBondContact CG1-O 3.46Å; G15-A19 PolarHBondContact O-N 2.69Å; G15-A19 VanDerWaalsContact O-N 3.16Å; V16-A19 PolarHBondContact O-N 3.31Å; A19-L22 PolarHBondContact O-N 3.2Å; A19-A23 VanDerWaalsContact O-CB 3.29Å; A19-A23 WeakPolarHBondContact O-CB 3.43Å; A19-A23 PolarHBondContact O-N 2.83Å; A19-I30 HydrophobicContact CB-CD1 3.82Å; A19-I30 HydrophobicContact CB-CG1 4.18Å
20R89.9Confident87Confident139 Ų13967 Ų6753%0.52534%0.336SS..Hα-helixtrans-62.9-48.7175.7-173.1178.8-65.7-146.5-1.8112.5V16 Q17 R18 L22 A23 E24 I30V16-R20 WeakPolarHBondContact O-CB 3.3Å; V16-R20 PolarHBondContact O-N 3.18Å; Q17-R20 WeakPolarHBondContact O-CB 3.37Å; Q17-R20 PolarHBondContact O-N 3.32Å; R18-R20 PolarHBondContact O-N 2.95Å; R20-L22 VanDerWaalsContact C-N 3.28Å; R20-L22 PolarHBondContact O-N 3.02Å; R20-A23 WeakPolarHBondContact O-CB 3.46Å; R20-A23 PolarHBondContact O-N 3.09Å; R20-A23 VanDerWaalsContact O-N 3.16Å; R20-E24 WeakPolarHBondContact O-CG 3.02Å; R20-E24 PolarHBondContact O-N 3.09Å; R20-I30 HydrophobicContact CB-CD1 3.94Å
21S86.3Confident87.2Confident69 Ų6967 Ų6748%0.48334%0.336SS..Hα-helixtrans-60.1-38.2178-61.60000112.6Q17 R18 Y25Q17-S21 PolarHBondContact O-N 3.13Å; Q17-S21 PolarHBondContact O-OG 3.1Å; R18-S21 PolarHBondContact O-N 3.08Å; S21-Y25 WeakPolarHBondContact O-CB 3.27Å; S21-Y25 PolarHBondContact O-N 2.95Å; S21-Y25 VanDerWaalsContact O-N 3.14Å
22L86.6Confident87.4Confident48 Ų4868.5 Ų68.525%0.25134%0.344SS..Hα-helixtrans-71.4-39.4175.4-173.568.2000111.9V8 R18 A19 R20 E24 Y25 L26 V58V8-L22 HydrophobicContact CG1-CB 4.25Å; V8-L22 HydrophobicContact CG1-CD2 4.14Å; V8-L22 HydrophobicContact CG2-CD2 4.23Å; V8-L22 HydrophobicContact CG2-CG 4.24Å; R18-L22 PolarHBondContact O-N 2.82Å; A19-L22 PolarHBondContact O-N 3.2Å; R20-L22 VanDerWaalsContact C-N 3.28Å; R20-L22 PolarHBondContact O-N 3.02Å; L22-E24 VanDerWaalsContact C-N 3.34Å; L22-E24 PolarHBondContact O-N 3.4Å; L22-Y25 HydrophobicContact CD1-CD1 4.47Å; L22-Y25 PolarHBondContact O-N 3.22Å; L22-L26 HydrophobicContact CD1-CD1 4.1Å; L22-L26 HydrophobicContact CD1-CG 4.14Å; L22-L26 HydrophobicContact CD2-CD1 4.14Å; L22-L26 HydrophobicContact CG-CD1 3.8Å; L22-L26 HydrophobicContact CG-CG 4.18Å; L22-L26 WeakPolarHBondContact O-CB 3.19Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 2.95Å; L22-V58 HydrophobicContact CD2-CG1 4.45Å; L22-V58 HydrophobicContact CD2-CG2 3.4Å; L22-V58 VanDerWaalsContact CD2-CG2 3.4Å
23A90.2Very high87.9Confident5 Ų565.5 Ų65.54%0.04133%0.331CS..Hα-helixtrans-59.8-44.6176.600000111.6V8 A19 R20 Y25 L26 D27 T28 I30V8-A23 HydrophobicContact CB-CB 4.03Å; V8-A23 HydrophobicContact CG2-CB 4.11Å; A19-A23 VanDerWaalsContact O-CB 3.29Å; A19-A23 WeakPolarHBondContact O-CB 3.43Å; A19-A23 PolarHBondContact O-N 2.83Å; R20-A23 WeakPolarHBondContact O-CB 3.46Å; R20-A23 PolarHBondContact O-N 3.09Å; R20-A23 VanDerWaalsContact O-N 3.16Å; A23-Y25 VanDerWaalsContact C-N 3.34Å; A23-Y25 PolarHBondContact O-N 3.18Å; A23-L26 PolarHBondContact O-N 3.03Å; A23-D27 PolarHBondContact O-N 2.95Å; A23-T28 HydrophobicContact CB-CG2 4.4Å; A23-T28 PolarHBondContact O-N 3.04Å; A23-I30 HydrophobicContact CB-CB 4.22Å
24E88.6Confident88.2Confident138 Ų13863.1 Ų63.165%0.64532%0.318SS*.Hα-helixtrans-61.1-41.9174.4-73.8172.4-170.200111.8R20 L22 D27R20-E24 WeakPolarHBondContact O-CG 3.02Å; R20-E24 PolarHBondContact O-N 3.09Å; L22-E24 VanDerWaalsContact C-N 3.34Å; L22-E24 PolarHBondContact O-N 3.4Å; E24-D27 PolarHBondContact O-N 3.41Å
25Y86.9Confident88Confident197 Ų19760 Ų6077%0.77330%0.295SS*.Hα-helixtrans-66.7-37.4177.9-179.5-98.5000113S21 L22 A23 D27S21-Y25 WeakPolarHBondContact O-CB 3.27Å; S21-Y25 PolarHBondContact O-N 2.95Å; S21-Y25 VanDerWaalsContact O-N 3.14Å; L22-Y25 HydrophobicContact CD1-CD1 4.47Å; L22-Y25 PolarHBondContact O-N 3.22Å; A23-Y25 VanDerWaalsContact C-N 3.34Å; A23-Y25 PolarHBondContact O-N 3.18Å; Y25-D27 VanDerWaalsContact C-N 3.33Å
26L86.9Confident87.3Confident35 Ų3560.9 Ų60.918%0.18330%0.302CS..Hα-helixtrans-85.1-8.7-178.8-67.6-179000113.6V2 V8 L22 A23 T28 I56V2-L26 HydrophobicContact CG2-CB 4Å; V2-L26 HydrophobicContact CG2-CD2 3.91Å; V2-L26 HydrophobicContact CG2-CG 4.37Å; V2-L26 PolarHBondContact N-O 3.2Å; V8-L26 HydrophobicContact CG2-CD1 4.05Å; L22-L26 HydrophobicContact CD1-CD1 4.1Å; L22-L26 HydrophobicContact CD1-CG 4.14Å; L22-L26 HydrophobicContact CD2-CD1 4.14Å; L22-L26 HydrophobicContact CG-CD1 3.8Å; L22-L26 HydrophobicContact CG-CG 4.18Å; L22-L26 WeakPolarHBondContact O-CB 3.19Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 2.95Å; A23-L26 PolarHBondContact O-N 3.03Å; L26-T28 HydrophobicContact CB-CG2 3.82Å; L26-I56 HydrophobicContact CD1-CD1 4.18Å
27D89.4Confident86.1Confident107 Ų10766.5 Ų66.557%0.57233%0.326SS*.THydrogen-bonded Turntrans54.860.2-172.5-167.933.9000111.1M1 A23 E24 Y25M1-D27 HydrophobicContact CG-CB 4.46Å; A23-D27 PolarHBondContact O-N 2.95Å; E24-D27 PolarHBondContact O-N 3.41Å; Y25-D27 VanDerWaalsContact C-N 3.33Å
28T92.4Very high84.7Confident25 Ų2567.8 Ų67.815%0.15333%0.332CS..  trans-146.9169.9-175.1-167.70000111.9Y6 V8 A23 L26Y6-T28 VanDerWaalsContact C-OG1 3.28Å; Y6-T28 PolarHBondContact O-OG1 2.72Å; V8-T28 HydrophobicContact CG2-CG2 3.75Å; A23-T28 HydrophobicContact CB-CG2 4.4Å; A23-T28 PolarHBondContact O-N 3.04Å; L26-T28 HydrophobicContact CB-CG2 3.82Å
29A93.4Very high83.5Confident39 Ų3967.6 Ų67.632%0.32236%0.357SS..EExtended strand (participates in β ladder)trans-73.5163.2-179.600000112.4V7 V8V7-A29 HydrophobicContact CG2-CB 4.18Å; V8-A29 PolarHBondContact N-O 3.15Å
30I94.5Very high82.4Confident53 Ų5371.5 Ų71.527%0.27238%0.378SS..EExtended strand (participates in β ladder)trans-115.5141.4172.2-173.4178.9000110.6V8 V16 A19 R20 A23V8-I30 CarbonylContact O-C 3.57Å; V8-I30 VanDerWaalsContact O-CA 3.27Å; V8-I30 WeakPolarHBondContact O-CA 3.13Å; V16-I30 HydrophobicContact CG1-CD1 4.25Å; A19-I30 HydrophobicContact CB-CD1 3.82Å; A19-I30 HydrophobicContact CB-CG1 4.18Å; R20-I30 HydrophobicContact CB-CD1 3.94Å; A23-I30 HydrophobicContact CB-CB 4.22Å
31A94.7Very high81Confident0 Ų069.9 Ų69.90%039%0.385CS..EExtended strand (participates in β ladder)trans-127.9160.8164.600000111.5V7 V8 V9 S10 V46 I47 V50V7-A31 HydrophobicContact CG2-CB 3.83Å; V8-A31 PolarHBondContact O-N 3.41Å; V9-A31 VanDerWaalsContact CA-O 3.3Å; V9-A31 WeakPolarHBondContact CA-O 3.41Å; V9-A31 HydrophobicContact CG2-CB 4.28Å; S10-A31 PolarHBondContact N-O 3.01Å; A31-V46 HydrophobicContact CB-CG1 4.17Å; A31-I47 CarbonylContact C-O 3.6Å; A31-I47 WeakPolarHBondContact CA-O 3.41Å; A31-I47 WeakPolarHBondContact CB-O 3.25Å; A31-V50 HydrophobicContact CB-CG1 3.62Å
32I93.6Very high80.1Confident32 Ų3272.1 Ų72.116%0.16439%0.392CS..EExtended strand (participates in β ladder)trans-129.1135.3178.7-51.3169.5000107.5V16 I47V16-I32 HydrophobicContact CB-CD1 4.35Å; V16-I32 HydrophobicContact CG1-CD1 3.75Å; V16-I32 HydrophobicContact CG1-CG1 4.34Å; V16-I32 HydrophobicContact CG2-CD1 3.59Å; V16-I32 HydrophobicContact CG2-CG1 3.89Å; V16-I32 HydrophobicContact CG2-CG2 3.98Å; I32-I47 HydrophobicContact CB-CB 4.3Å; I32-I47 PolarHBondContact N-O 3.2Å; I32-I47 PolarHBondContact O-N 2.71Å
33V90.3Very high79.6Confident1 Ų171.8 Ų71.81%0.00639%0.393CS..EExtended strand (participates in β ladder)trans-103.3123.8174.4-179.10000108.5V9 S10 V35 V46 A71 T74 L75V9-V33 HydrophobicContact CG1-CG2 3.53Å; S10-V33 PolarHBondContact O-N 2.76Å; V33-V35 HydrophobicContact CG1-CG2 4.14Å; V33-V46 HydrophobicContact CG2-CG2 4.45Å; V33-A71 HydrophobicContact CB-CB 4.27Å; V33-A71 HydrophobicContact CG1-CB 3.96Å; V33-A71 HydrophobicContact CG2-CB 4.47Å; V33-T74 HydrophobicContact CG1-CG2 3.91Å; V33-L75 HydrophobicContact CG2-CD1 4.17Å; V33-L75 HydrophobicContact CG2-CD2 3.66Å; V33-L75 HydrophobicContact CG2-CG 3.73Å
34D84.3Confident79.2Confident58 Ų5872.2 Ų72.231%0.3140%0.399SS..EExtended strand (participates in β ladder)trans-89.3114.7162-160.76.6000107.6G44 Y45D34-G44 CarbonylContact O-C 3.52Å; D34-G44 WeakPolarHBondContact O-CA 3.37Å; D34-Y45 HydrophobicContact CB-CD1 4.09Å; D34-Y45 HydrophobicContact CB-CE1 3.79Å; D34-Y45 HydrophobicContact CB-CE2 4.41Å; D34-Y45 PolarHBondContact N-O 3.2Å; D34-Y45 PolarHBondContact O-N 3.21Å; D34-Y45 VanDerWaalsContact O-N 3.14Å; D34-Y45 WeakPolarHBondContact OD2-CE1 3.5Å; D34-Y45 PolarHBondContact OD2-OH 3.41Å
35V72.6Confident79.2Confident37 Ų3771.5 Ų71.522%0.22439%0.391CS..PPolyproline II helixtrans-82135.2-171.2-174.80000108.7P11 V33 N70 A71P11-V35 VanDerWaalsContact O-CG2 3.27Å; P11-V35 WeakPolarHBondContact O-CG2 3.4Å; V33-V35 HydrophobicContact CG1-CG2 4.14Å; V35-N70 HydrophobicContact CG1-CB 3.39Å; V35-A71 HydrophobicContact CG2-CB 4.22Å
36A66.2Low79.4Confident20 Ų2063.6 Ų63.617%0.16536%0.363CS..PPolyproline II helixtrans-54.1141.3-17900000112.3N40 P41 S43A36-N40 WeakPolarHBondContact CB-O 3.42Å; A36-P41 WeakPolarHBondContact CB-O 3.45Å; A36-S43 VanDerWaalsContact CA-OG 3.32Å; A36-S43 WeakPolarHBondContact CA-OG 3.3Å
37E61.9Low79.7Confident146 Ų14666 Ų6668%0.68238%0.375SS*.PPolyproline II helixtrans-68.4149.4177.2-72-175.4168.300110.4G39 N40 S43E37-G39 PolarHBondContact O-N 3.28Å; E37-G39 VanDerWaalsContact O-N 3.15Å; E37-N40 CarbonylContact O-C 3.59Å; E37-N40 PolarHBondContact O-N 2.68Å; E37-S43 PolarHBondContact N-OG 3.01Å
38E55.1Low79.8Confident190 Ų19063 Ų6389%0.88837%0.37SS*.THydrogen-bonded Turntrans-60.1118.6177.3-148.4175.6-174.700109.5
39G60Low79.7Confident81 Ų8166 Ų6684%0.83539%0.385SS*.THydrogen-bonded Turntrans94-6.5-17400000115.9E37E37-G39 PolarHBondContact O-N 3.28Å; E37-G39 VanDerWaalsContact O-N 3.15Å
40N67.2Low79.8Confident82 Ų8264.3 Ų64.344%0.43937%0.37SS..  trans-133.374.1174.1-1701.6000112.1A36 E37 D42 S43A36-N40 WeakPolarHBondContact CB-O 3.42Å; E37-N40 CarbonylContact O-C 3.59Å; E37-N40 PolarHBondContact O-N 2.68Å; N40-D42 PolarHBondContact O-N 2.71Å; N40-S43 PolarHBondContact O-N 3.41Å; N40-S43 PolarHBondContact O-OG 2.94Å; N40-S43 VanDerWaalsContact O-OG 3.12Å
41P60.1Low79.8Confident105 Ų10568.9 Ų68.968%0.68239%0.391SS*.G310 helixtrans-59.6-21.9-172.3-19.730.6000114.6A36A36-P41 WeakPolarHBondContact CB-O 3.45Å
42D67.5Low79.7Confident115 Ų11571.1 Ų71.162%0.61541%0.414SS*.G310 helixtrans-87.9-4.1-178.1-75-43.7000113.6N40 G44 K77N40-D42 PolarHBondContact O-N 2.71Å; D42-G44 VanDerWaalsContact C-N 3.29Å; D42-G44 PolarHBondContact O-N 2.96Å; D42-K77 IonicContact OD1-NZ 2.62Å; D42-K77 PolarHBondContact OD1-NZ 3.09Å
43S76.2Confident79.7Confident41 Ų4172.1 Ų72.129%0.28742%0.416SS..G310 helixtrans-76.4-15.6179.674.30000114.1A36 E37 N40A36-S43 VanDerWaalsContact CA-OG 3.32Å; A36-S43 WeakPolarHBondContact CA-OG 3.3Å; E37-S43 PolarHBondContact N-OG 3.01Å; N40-S43 PolarHBondContact O-N 3.41Å; N40-S43 PolarHBondContact O-OG 2.94Å; N40-S43 VanDerWaalsContact O-OG 3.12Å
44G80.6Confident79.9Confident15 Ų1572.7 Ų72.716%0.15542%0.419CS..  trans-71.7138.2-179.100000112.5D34 D42D34-G44 CarbonylContact O-C 3.52Å; D34-G44 WeakPolarHBondContact O-CA 3.37Å; D42-G44 VanDerWaalsContact C-N 3.29Å; D42-G44 PolarHBondContact O-N 2.96Å
45Y88.8Confident80.5Confident122 Ų12269.9 Ų69.948%0.47840%0.404SS..EExtended strand (participates in β ladder)trans-142.3161.4177.965.6-86.2000112.2D34 I47D34-Y45 HydrophobicContact CB-CD1 4.09Å; D34-Y45 HydrophobicContact CB-CE1 3.79Å; D34-Y45 HydrophobicContact CB-CE2 4.41Å; D34-Y45 PolarHBondContact N-O 3.2Å; D34-Y45 PolarHBondContact O-N 3.21Å; D34-Y45 VanDerWaalsContact O-N 3.14Å; D34-Y45 WeakPolarHBondContact OD2-CE1 3.5Å; D34-Y45 PolarHBondContact OD2-OH 3.41Å; Y45-I47 HydrophobicContact CD2-CG1 3.97Å; Y45-I47 HydrophobicContact CE2-CD1 3.85Å; Y45-I47 HydrophobicContact CE2-CG1 3.57Å
46V92Very high81.4Confident31 Ų3169.5 Ų69.519%0.18840%0.401CS..EExtended strand (participates in β ladder)trans-106.3130179.9-175.50000109.4A31 V33 V50 T74 L75 A78A31-V46 HydrophobicContact CB-CG1 4.17Å; V33-V46 HydrophobicContact CG2-CG2 4.45Å; V46-V50 HydrophobicContact CG1-CG1 3.7Å; V46-V50 HydrophobicContact CG1-CG2 4.04Å; V46-T74 HydrophobicContact CG2-CG2 3.96Å; V46-L75 HydrophobicContact CG1-CD2 4.26Å; V46-L75 HydrophobicContact CG2-CD2 4.03Å; V46-A78 HydrophobicContact CB-CB 4.23Å; V46-A78 HydrophobicContact CG2-CB 3.62Å
47I91.7Very high82.6Confident85 Ų8568.8 Ų68.844%0.43639%0.394SS..EExtended strand (participates in β ladder)trans-100.5103.7169.8-55.4173.1000107.3A31 I32 Y45A31-I47 CarbonylContact C-O 3.6Å; A31-I47 WeakPolarHBondContact CA-O 3.41Å; A31-I47 WeakPolarHBondContact CB-O 3.25Å; I32-I47 HydrophobicContact CB-CB 4.3Å; I32-I47 PolarHBondContact N-O 3.2Å; I32-I47 PolarHBondContact O-N 2.71Å; Y45-I47 HydrophobicContact CD2-CG1 3.97Å; Y45-I47 HydrophobicContact CE2-CD1 3.85Å; Y45-I47 HydrophobicContact CE2-CG1 3.57Å
48G91.5Very high83.8Confident45 Ų4562.4 Ų62.446%0.46437%0.365SS..SBendtrans129.8165.2-177.600000112.1
49D91.6Very high85.2Confident87 Ų8753.6 Ų53.647%0.46532%0.324SS..  trans-88.9115.5178178.320.1000110.5E51 R53D49-E51 PolarHBondContact OD1-N 2.83Å; D49-R53 IonicContact OD2-CZ 3.76Å; D49-R53 IonicContact OD2-NE 2.77Å; D49-R53 IonicContact OD2-NH2 3.46Å; D49-R53 PolarHBondContact OD2-NH2 3.37Å
50V94.4Very high85.8Confident4 Ų452.1 Ų52.12%0.02430%0.297CS..  trans-123.5-5.1-178.7-58.50000112.8V7 A31 V46 G52 R53 L75 A78 A80V7-V50 HydrophobicContact CG1-CB 4.39Å; V7-V50 HydrophobicContact CG1-CG1 4Å; A31-V50 HydrophobicContact CB-CG1 3.62Å; V46-V50 HydrophobicContact CG1-CG1 3.7Å; V46-V50 HydrophobicContact CG1-CG2 4.04Å; V50-G52 PolarHBondContact O-N 3.4Å; V50-R53 PolarHBondContact O-N 3.03Å; V50-R53 VanDerWaalsContact O-N 3.1Å; V50-L75 HydrophobicContact CG1-CD2 4.07Å; V50-L75 HydrophobicContact CG2-CD2 4.45Å; V50-A78 HydrophobicContact CG2-CB 3.66Å; V50-A80 WeakPolarHBondContact O-CA 3.48Å
51E94.5Very high85.7Confident150 Ų15051.2 Ų51.270%0.70129%0.291SS*.THydrogen-bonded Turntrans-66.8124.9-171.6-171.2174.8-175.300110.3D49 R53D49-E51 PolarHBondContact OD1-N 2.83Å; E51-R53 PolarHBondContact O-N 2.86Å
52G93.1Very high85.8Confident47 Ų4749.2 Ų49.249%0.48528%0.275SS..THydrogen-bonded Turntrans73.3-0.1-177.400000115.4V50 G79 K81V50-G52 PolarHBondContact O-N 3.4Å; G52-G79 PolarHBondContact N-O 3.08Å; G52-K81 WeakPolarHBondContact O-CB 3.3Å
53R94.1Very high85.4Confident53 Ų5349.7 Ų49.720%0.228%0.277CS..SBendtrans-98.8156.5-176.5-58-172.7-170.6-170.53.3113D4 D5 V7 D49 V50 E51 K81D4-R53 WeakPolarHBondContact O-CD 3.09Å; D5-R53 CarbonylContact O-C 3.59Å; D5-R53 WeakPolarHBondContact O-CA 3.32Å; V7-R53 HydrophobicContact CG1-CB 4.11Å; D49-R53 IonicContact OD2-CZ 3.76Å; D49-R53 IonicContact OD2-NE 2.77Å; D49-R53 IonicContact OD2-NH2 3.46Å; D49-R53 PolarHBondContact OD2-NH2 3.37Å; V50-R53 PolarHBondContact O-N 3.03Å; V50-R53 VanDerWaalsContact O-N 3.1Å; E51-R53 PolarHBondContact O-N 2.86Å; R53-K81 PolarHBondContact O-N 2.95Å
54C95.3Very high84.6Confident12 Ų1251.7 Ų51.78%0.08129%0.288CS..EExtended strand (participates in β ladder)trans-83.2116.4169.5-175.40000110.1D5 Y6 V7 E82D5-C54 PolarHBondContact O-N 3.48Å; Y6-C54 CarbonylContact C-O 3.57Å; Y6-C54 WeakPolarHBondContact CA-O 3.28Å; Y6-C54 HydrophobicContact CD1-CB 3.68Å; Y6-C54 HydrophobicContact CE1-CB 3.8Å; Y6-C54 HydrophobicContact CG-CB 4.4Å; V7-C54 PolarHBondContact N-O 3.04Å; C54-E82 HydrophobicContact CB-CB 4.44Å
55C95.1Very high83.9Confident0 Ų052.6 Ų52.60%030%0.298CS..EExtended strand (participates in β ladder)trans-92.7118.9-176.2-67.70000111.2V7 V9 L75 A80 E82 V83 V84V7-C55 HydrophobicContact CG1-CB 4.23Å; V7-C55 WeakPolarHBondContact CG1-SG 3.34Å; V7-C55 WeakPolarHBondContact O-CA 3.45Å; V9-C55 HydrophobicContact CG2-CB 3.73Å; C55-L75 HydrophobicContact CB-CD1 4.04Å; C55-L75 HydrophobicContact CB-CD2 4.5Å; C55-A80 VanDerWaalsContact SG-CB 3.53Å; C55-E82 PolarHBondContact N-O 3Å; C55-V83 HydrophobicContact CB-CG1 4.46Å; C55-V83 HydrophobicContact CB-CG2 4.31Å; C55-V83 WeakPolarHBondContact O-CA 3.37Å; C55-V84 PolarHBondContact O-N 3.05Å
56I93Very high83Confident28 Ų2851.8 Ų51.814%0.14430%0.298CS..EExtended strand (participates in β ladder)trans-99.697.3176-52.8174.9000108.5Y6 V7 V9 L26 V58 V84 C86Y6-I56 HydrophobicContact CD1-CD1 4.04Å; Y6-I56 HydrophobicContact CD1-CG1 4.4Å; V7-I56 PolarHBondContact O-N 3.39Å; V9-I56 PolarHBondContact N-O 2.9Å; L26-I56 HydrophobicContact CD1-CD1 4.18Å; I56-V58 HydrophobicContact CG2-CG2 4.1Å; I56-V84 CarbonylContact C-O 3.51Å; I56-V84 WeakPolarHBondContact CA-O 3.48Å; I56-C86 HydrophobicContact CG2-CB 4.03Å
57M91.4Very high82.3Confident5 Ų552.8 Ų52.83%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-75.7124.6175.5-63.8-168.8-6600110.5V9 F68 A71 L75 V83 V84 C86V9-M57 HydrophobicContact CB-CG 4.11Å; V9-M57 HydrophobicContact CG1-CG 4.31Å; V9-M57 WeakPolarHBondContact O-CA 3.44Å; M57-F68 HydrophobicContact CB-CD1 4.13Å; M57-F68 HydrophobicContact CB-CE1 3.93Å; M57-F68 HydrophobicContact CE-CB 4.29Å; M57-F68 HydrophobicContact CE-CD1 3.69Å; M57-F68 HydrophobicContact CE-CG 4.44Å; M57-F68 WeakPolarHBondContact CE-O 3.38Å; M57-F68 HydrophobicContact SD-CD1 4.39Å; M57-A71 HydrophobicContact SD-CB 3.67Å; M57-L75 HydrophobicContact CG-CD1 3.72Å; M57-L75 HydrophobicContact SD-CD1 3.65Å; M57-V83 HydrophobicContact CE-CG1 3.45Å; M57-V83 VanDerWaalsContact CE-CG1 3.45Å; M57-V83 HydrophobicContact CG-CG1 3.99Å; M57-V83 HydrophobicContact SD-CG1 3.95Å; M57-V84 PolarHBondContact N-O 3.31Å; M57-C86 PolarHBondContact O-N 3.32Å
58V87.5Confident81.9Confident12 Ų1249.5 Ų49.57%0.07329%0.287CS..EExtended strand (participates in β ladder)trans-117.7130.8-174.6-173.80000111.9V8 V9 P11 R18 L22 I56 C86V8-V58 HydrophobicContact CG1-CG2 3.73Å; V9-V58 PolarHBondContact O-N 3.31Å; P11-V58 WeakPolarHBondContact CD-O 3.31Å; R18-V58 HydrophobicContact CG-CG1 4.29Å; L22-V58 HydrophobicContact CD2-CG1 4.45Å; L22-V58 HydrophobicContact CD2-CG2 3.4Å; L22-V58 VanDerWaalsContact CD2-CG2 3.4Å; I56-V58 HydrophobicContact CG2-CG2 4.1Å; V58-C86 WeakPolarHBondContact CA-O 3.07Å; V58-C86 HydrophobicContact CG2-CB 4.39Å
59D82.4Confident81.5Confident5 Ų550.1 Ų50.13%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-147.1178.2169.4-147.5-14.6000111.5K12 F68 C86 A87 S88K12-D59 WeakPolarHBondContact CE-OD1 3.38Å; K12-D59 WeakPolarHBondContact CE-OD2 3.31Å; K12-D59 IonicContact NZ-OD1 3.97Å; K12-D59 PolarHBondContact NZ-OD1 3.14Å; K12-D59 IonicContact NZ-OD2 2.71Å; K12-D59 PolarHBondContact NZ-OD2 3.42Å; D59-F68 HydrophobicContact CB-CE2 3.71Å; D59-F68 HydrophobicContact CB-CZ 3.42Å; D59-F68 VanDerWaalsContact CB-CZ 3.42Å; D59-C86 PolarHBondContact N-O 2.9Å; D59-C86 VanDerWaalsContact N-O 3.09Å; D59-A87 WeakPolarHBondContact O-CA 3.26Å; D59-S88 PolarHBondContact O-N 3.38Å
60D73.1Confident81.1Confident50 Ų5048 Ų4827%0.26727%0.272SS..EExtended strand (participates in β ladder)trans-83.7-48.5178.927.934.5000109.8R18 H89R18-D60 IonicContact CZ-OD2 3.27Å; R18-D60 IonicContact NH1-OD1 2.75Å; R18-D60 IonicContact NH1-OD2 3.33Å; R18-D60 PolarHBondContact NH1-OD2 2.97Å; R18-D60 IonicContact NH2-OD2 3.67Å; R18-D60 PolarHBondContact NH2-OD2 3.41Å; D60-H89 WeakPolarHBondContact O-CB 3.49Å; D60-H89 PolarHBondContact O-N 3.38Å
61I66.5Low80.8Confident63 Ų6347.8 Ų47.832%0.32327%0.271SS..EExtended strand (participates in β ladder)trans-138.2129.9-167.7-65.1166.1000108.9N63 H89I61-N63 WeakPolarHBondContact CG2-OD1 3.4Å; I61-N63 PolarHBondContact O-N 3.48Å; I61-N63 VanDerWaalsContact O-N 3.16Å; I61-H89 HydrophobicContact CG1-CB 4.1Å
62L62.1Low80.5Confident64 Ų6441.9 Ų41.934%0.33525%0.247SC..  trans-78.588.5166.6-71.6162.9000109.1F68 A87L62-F68 HydrophobicContact CD2-CB 4.44Å; L62-F68 HydrophobicContact CD2-CD1 4.04Å; L62-F68 HydrophobicContact CD2-CD2 3.35Å; L62-F68 HydrophobicContact CD2-CE1 4.05Å; L62-F68 HydrophobicContact CD2-CE2 3.35Å; L62-F68 HydrophobicContact CD2-CG 3.69Å; L62-F68 HydrophobicContact CD2-CZ 3.69Å; L62-F68 HydrophobicContact CG-CE2 4.34Å; L62-A87 HydrophobicContact CD1-CB 3.99Å; L62-A87 HydrophobicContact CG-CB 3.89Å
63N58.5Low80.3Confident125 Ų12546 Ų4667%0.66825%0.251SS*.SBendtrans-79.6-62.8179.9-88.9-13.6000112.8I61I61-N63 WeakPolarHBondContact CG2-OD1 3.4Å; I61-N63 PolarHBondContact O-N 3.48Å; I61-N63 VanDerWaalsContact O-N 3.16Å
64T59.5Low80.1Confident82 Ų8244.1 Ų44.150%0.50325%0.246SC..SBendtrans-106.6-11.6-174.155.80000113.7E66T64-E66 PolarHBondContact O-N 3.01Å
65G65.9Low80Confident35 Ų3543.6 Ų43.636%0.36124%0.242SC..SBendtrans65-24.8-172.400000114.4V67 F68 S69G65-V67 PolarHBondContact O-N 2.98Å; G65-F68 PolarHBondContact O-N 3.43Å; G65-S69 WeakPolarHBondContact O-CB 3.47Å; G65-S69 PolarHBondContact O-N 2.84Å
66E70.7Confident79.8Confident104 Ų10450.4 Ų50.449%0.48627%0.268SS..Hα-helixtrans-59.5-46.8-178.6-176.5174.2-159.400112.5T64 F68 S69 N70T64-E66 PolarHBondContact O-N 3.01Å; E66-F68 VanDerWaalsContact C-N 3.27Å; E66-F68 PolarHBondContact O-N 3.31Å; E66-S69 PolarHBondContact O-N 3.25Å; E66-S69 VanDerWaalsContact O-N 3.12Å; E66-N70 WeakPolarHBondContact O-CB 3.46Å; E66-N70 PolarHBondContact O-N 3.31Å
67V76.6Confident79.7Confident52 Ų5256.1 Ų56.132%0.31529%0.291SS..Hα-helixtrans-56.6-44.5176.5176.10000110.7P11 G65 A71P11-V67 HydrophobicContact CB-CG1 4.14Å; G65-V67 PolarHBondContact O-N 2.98Å; V67-A71 WeakPolarHBondContact O-CB 3.49Å; V67-A71 PolarHBondContact O-N 3.3Å
68F83.1Confident79.7Confident17 Ų1757.7 Ų57.78%0.07531%0.306CS..Hα-helixtrans-69-39.4177.3-82.5-98000112.5P11 M57 D59 L62 G65 E66 S72 A85P11-F68 HydrophobicContact CG-CZ 4.48Å; M57-F68 HydrophobicContact CB-CD1 4.13Å; M57-F68 HydrophobicContact CB-CE1 3.93Å; M57-F68 HydrophobicContact CE-CB 4.29Å; M57-F68 HydrophobicContact CE-CD1 3.69Å; M57-F68 HydrophobicContact CE-CG 4.44Å; M57-F68 WeakPolarHBondContact CE-O 3.38Å; M57-F68 HydrophobicContact SD-CD1 4.39Å; D59-F68 HydrophobicContact CB-CE2 3.71Å; D59-F68 HydrophobicContact CB-CZ 3.42Å; D59-F68 VanDerWaalsContact CB-CZ 3.42Å; L62-F68 HydrophobicContact CD2-CB 4.44Å; L62-F68 HydrophobicContact CD2-CD1 4.04Å; L62-F68 HydrophobicContact CD2-CD2 3.35Å; L62-F68 HydrophobicContact CD2-CE1 4.05Å; L62-F68 HydrophobicContact CD2-CE2 3.35Å; L62-F68 HydrophobicContact CD2-CG 3.69Å; L62-F68 HydrophobicContact CD2-CZ 3.69Å; L62-F68 HydrophobicContact CG-CE2 4.34Å; G65-F68 PolarHBondContact O-N 3.43Å; E66-F68 VanDerWaalsContact C-N 3.27Å; E66-F68 PolarHBondContact O-N 3.31Å; F68-S72 WeakPolarHBondContact O-CB 3.38Å; F68-S72 PolarHBondContact O-N 3.03Å; F68-A85 HydrophobicContact CD1-CB 3.63Å; F68-A85 HydrophobicContact CE1-CB 3.72Å
69S82.7Confident80Confident58 Ų5858.7 Ų58.741%0.40632%0.318SS..Hα-helixtrans-63.8-49.4178.2-177.10000111.2G65 E66 S72 K73G65-S69 WeakPolarHBondContact O-CB 3.47Å; G65-S69 PolarHBondContact O-N 2.84Å; E66-S69 PolarHBondContact O-N 3.25Å; E66-S69 VanDerWaalsContact O-N 3.12Å; S69-S72 WeakPolarHBondContact O-CB 3.49Å; S69-S72 PolarHBondContact O-N 3.42Å; S69-K73 WeakPolarHBondContact O-CG 3.41Å; S69-K73 PolarHBondContact O-N 3.21Å
70N83.5Confident80.6Confident42 Ų4258.9 Ų58.923%0.22532%0.32CS..Hα-helixtrans-67.2-43.4179-68.2-18.3000110.7V35 E66 S72 K73 T74V35-N70 HydrophobicContact CG1-CB 3.39Å; E66-N70 WeakPolarHBondContact O-CB 3.46Å; E66-N70 PolarHBondContact O-N 3.31Å; N70-S72 VanDerWaalsContact C-N 3.31Å; N70-S72 PolarHBondContact O-N 2.99Å; N70-K73 PolarHBondContact O-N 3.43Å; N70-T74 PolarHBondContact O-N 2.69Å; N70-T74 PolarHBondContact O-OG1 2.96Å; N70-T74 VanDerWaalsContact O-OG1 3.11Å
71A87.5Confident81.6Confident0 Ų064 Ų640%034%0.34CS..Hα-helixtrans-61-39.3174.200000112.6P11 V33 V35 M57 V67 K73 T74 L75P11-A71 HydrophobicContact CB-CB 3.94Å; V33-A71 HydrophobicContact CB-CB 4.27Å; V33-A71 HydrophobicContact CG1-CB 3.96Å; V33-A71 HydrophobicContact CG2-CB 4.47Å; V35-A71 HydrophobicContact CG2-CB 4.22Å; M57-A71 HydrophobicContact SD-CB 3.67Å; V67-A71 WeakPolarHBondContact O-CB 3.49Å; V67-A71 PolarHBondContact O-N 3.3Å; A71-K73 PolarHBondContact O-N 3.05Å; A71-T74 PolarHBondContact O-N 3.19Å; A71-L75 VanDerWaalsContact O-CG 3.32Å; A71-L75 WeakPolarHBondContact O-CG 3.38Å; A71-L75 PolarHBondContact O-N 2.98Å
72S89.6Confident82.9Confident26 Ų2666 Ų6618%0.18235%0.348CS..Hα-helixtrans-61.2-42.5176-173.20000112.2F68 S69 N70 L75 R76F68-S72 WeakPolarHBondContact O-CB 3.38Å; F68-S72 PolarHBondContact O-N 3.03Å; S69-S72 WeakPolarHBondContact O-CB 3.49Å; S69-S72 PolarHBondContact O-N 3.42Å; N70-S72 VanDerWaalsContact C-N 3.31Å; N70-S72 PolarHBondContact O-N 2.99Å; S72-L75 PolarHBondContact O-N 3.25Å; S72-R76 WeakPolarHBondContact O-CG 3.36Å; S72-R76 PolarHBondContact O-N 3.39Å
73K88.7Confident84.3Confident132 Ų13264 Ų6457%0.57434%0.338SS*.Hα-helixtrans-61.8-46.2175.2-68.9171.2-173168.90111.2S69 N70 A71 L75 R76 K77S69-K73 WeakPolarHBondContact O-CG 3.41Å; S69-K73 PolarHBondContact O-N 3.21Å; N70-K73 PolarHBondContact O-N 3.43Å; A71-K73 PolarHBondContact O-N 3.05Å; K73-L75 PolarHBondContact O-N 2.9Å; K73-R76 PolarHBondContact O-N 3.27Å; K73-K77 WeakPolarHBondContact O-CB 3.12Å; K73-K77 PolarHBondContact O-N 3.02Å
74T89.7Confident85.8Confident15 Ų1560.9 Ų60.99%0.09232%0.324CS..Hα-helixtrans-60.1-44.2178.2-540000111.7V33 V46 N70 A71 K77 A78V33-T74 HydrophobicContact CG1-CG2 3.91Å; V46-T74 HydrophobicContact CG2-CG2 3.96Å; N70-T74 PolarHBondContact O-N 2.69Å; N70-T74 PolarHBondContact O-OG1 2.96Å; N70-T74 VanDerWaalsContact O-OG1 3.11Å; A71-T74 PolarHBondContact O-N 3.19Å; T74-K77 PolarHBondContact O-N 2.83Å; T74-A78 PolarHBondContact O-N 2.95Å
75L92.5Very high87.2Confident0 Ų059.7 Ų59.70%032%0.323CS..Hα-helixtrans-64.3-43177.7-71.9166.4000112.8V9 V33 V46 V50 C55 M57 A71 S72 K73 K77 A78 G79 A80 V83V9-L75 HydrophobicContact CG1-CD1 4.08Å; V9-L75 HydrophobicContact CG1-CD2 4.07Å; V9-L75 HydrophobicContact CG2-CD1 4.39Å; V9-L75 HydrophobicContact CG2-CD2 4.18Å; V33-L75 HydrophobicContact CG2-CD1 4.17Å; V33-L75 HydrophobicContact CG2-CD2 3.66Å; V33-L75 HydrophobicContact CG2-CG 3.73Å; V46-L75 HydrophobicContact CG1-CD2 4.26Å; V46-L75 HydrophobicContact CG2-CD2 4.03Å; V50-L75 HydrophobicContact CG1-CD2 4.07Å; V50-L75 HydrophobicContact CG2-CD2 4.45Å; C55-L75 HydrophobicContact CB-CD1 4.04Å; C55-L75 HydrophobicContact CB-CD2 4.5Å; M57-L75 HydrophobicContact CG-CD1 3.72Å; M57-L75 HydrophobicContact SD-CD1 3.65Å; A71-L75 VanDerWaalsContact O-CG 3.32Å; A71-L75 WeakPolarHBondContact O-CG 3.38Å; A71-L75 PolarHBondContact O-N 2.98Å; S72-L75 PolarHBondContact O-N 3.25Å; K73-L75 PolarHBondContact O-N 2.9Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 3.46Å; L75-A78 CarbonylContact O-C 3.45Å; L75-A78 PolarHBondContact O-N 3.5Å; L75-A78 VanDerWaalsContact O-N 3.14Å; L75-G79 PolarHBondContact O-N 3.13Å; L75-A80 HydrophobicContact CB-CB 4.09Å; L75-A80 VanDerWaalsContact O-CB 3.22Å; L75-A80 WeakPolarHBondContact O-CB 3.33Å; L75-A80 PolarHBondContact O-N 2.91Å; L75-V83 HydrophobicContact CB-CG2 3.93Å; L75-V83 HydrophobicContact CD1-CG1 3.83Å; L75-V83 HydrophobicContact CD1-CG2 4.26Å
76R92.2Very high88Confident143 Ų14360.8 Ų60.854%0.5432%0.324SS..Hα-helixtrans-63.5-39.4176.6-73.5-179.1-178-81.61.5111.6S72 K73 A78 G79 V83S72-R76 WeakPolarHBondContact O-CG 3.36Å; S72-R76 PolarHBondContact O-N 3.39Å; K73-R76 PolarHBondContact O-N 3.27Å; R76-A78 PolarHBondContact O-N 3.12Å; R76-G79 PolarHBondContact O-N 3.25Å; R76-G79 VanDerWaalsContact O-N 3.07Å; R76-V83 HydrophobicContact CG-CG2 4.15Å
77K89.9Confident88.3Confident148 Ų14857.3 Ų57.364%0.64331%0.313SS*.Hα-helixtrans-63.3-32.6174.5-169179.4178.7-173.70111.8D42 K73 T74 L75 G79D42-K77 IonicContact OD1-NZ 2.62Å; D42-K77 PolarHBondContact OD1-NZ 3.09Å; K73-K77 WeakPolarHBondContact O-CB 3.12Å; K73-K77 PolarHBondContact O-N 3.02Å; T74-K77 PolarHBondContact O-N 2.83Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 3.46Å; K77-G79 PolarHBondContact O-N 3.1Å
78A91.9Very high87.9Confident39 Ų3958.7 Ų58.732%0.32233%0.325SS..THydrogen-bonded Turntrans-80.67.2174.100000114.3V46 V50 T74 L75 R76V46-A78 HydrophobicContact CB-CB 4.23Å; V46-A78 HydrophobicContact CG2-CB 3.62Å; V50-A78 HydrophobicContact CG2-CB 3.66Å; T74-A78 PolarHBondContact O-N 2.95Å; L75-A78 CarbonylContact O-C 3.45Å; L75-A78 PolarHBondContact O-N 3.5Å; L75-A78 VanDerWaalsContact O-N 3.14Å; R76-A78 PolarHBondContact O-N 3.12Å
79G93.8Very high87.1Confident32 Ų3263.3 Ų63.333%0.3335%0.346SS..THydrogen-bonded Turntrans89.114173.900000115.4G52 L75 R76 K77 K81G52-G79 PolarHBondContact N-O 3.08Å; L75-G79 PolarHBondContact O-N 3.13Å; R76-G79 PolarHBondContact O-N 3.25Å; R76-G79 VanDerWaalsContact O-N 3.07Å; K77-G79 PolarHBondContact O-N 3.1Å; G79-K81 PolarHBondContact O-N 3.06Å
80A94.5Very high85.6Confident10 Ų1069.9 Ų69.98%0.08337%0.371CS..  trans-57.4130.4173.800000111.4V50 C55 L75 V83V50-A80 WeakPolarHBondContact O-CA 3.48Å; C55-A80 VanDerWaalsContact SG-CB 3.53Å; L75-A80 HydrophobicContact CB-CB 4.09Å; L75-A80 VanDerWaalsContact O-CB 3.22Å; L75-A80 WeakPolarHBondContact O-CB 3.33Å; L75-A80 PolarHBondContact O-N 2.91Å; A80-V83 HydrophobicContact CB-CG2 4.11Å
81K93.6Very high84.1Confident157 Ų15768.4 Ų68.468%0.68337%0.366SS*.SBendtrans-67-42.8178.5175.9-176.8176.3-174.60111.3G52 R53 G79G52-K81 WeakPolarHBondContact O-CB 3.3Å; R53-K81 PolarHBondContact O-N 2.95Å; G79-K81 PolarHBondContact O-N 3.06Å
82E93.9Very high82.1Confident105 Ų10577.6 Ų77.649%0.49141%0.405SS..EExtended strand (participates in β ladder)trans-149.5151.8-179.1-172.8170-159.200109.6C54 C55 V84C54-E82 HydrophobicContact CB-CB 4.44Å; C55-E82 PolarHBondContact N-O 3Å; E82-V84 HydrophobicContact CG-CG2 4.24Å
83V92.6Very high79.9Confident21 Ų2181.9 Ų81.913%0.12743%0.431CS..EExtended strand (participates in β ladder)trans-130.9120.2177.7-173.70000108.8C55 M57 L75 R76 A80C55-V83 HydrophobicContact CB-CG1 4.46Å; C55-V83 HydrophobicContact CB-CG2 4.31Å; C55-V83 WeakPolarHBondContact O-CA 3.37Å; M57-V83 HydrophobicContact CE-CG1 3.45Å; M57-V83 VanDerWaalsContact CE-CG1 3.45Å; M57-V83 HydrophobicContact CG-CG1 3.99Å; M57-V83 HydrophobicContact SD-CG1 3.95Å; L75-V83 HydrophobicContact CB-CG2 3.93Å; L75-V83 HydrophobicContact CD1-CG1 3.83Å; L75-V83 HydrophobicContact CD1-CG2 4.26Å; R76-V83 HydrophobicContact CG-CG2 4.15Å; A80-V83 HydrophobicContact CB-CG2 4.11Å
84V90.4Very high77.7Confident61 Ų6184.3 Ų84.337%0.3744%0.436SS..EExtended strand (participates in β ladder)trans-117.9133.3-179.4-176.40000108.6C55 I56 M57 E82C55-V84 PolarHBondContact O-N 3.05Å; I56-V84 CarbonylContact C-O 3.51Å; I56-V84 WeakPolarHBondContact CA-O 3.48Å; M57-V84 PolarHBondContact N-O 3.31Å; E82-V84 HydrophobicContact CG-CG2 4.24Å
85A87.5Confident75.6Confident57 Ų5792.3 Ų92.347%0.47147%0.47SS..EExtended strand (participates in β ladder)trans-95.5130.6174.500000110.3F68F68-A85 HydrophobicContact CD1-CB 3.63Å; F68-A85 HydrophobicContact CE1-CB 3.72Å
86C82.7Confident73.6Confident57 Ų57100 Ų10039%0.38550%0.504SS..EExtended strand (participates in β ladder)trans-122.4113.7175.7-176.60000108.8I56 M57 V58 D59I56-C86 HydrophobicContact CG2-CB 4.03Å; M57-C86 PolarHBondContact O-N 3.32Å; V58-C86 WeakPolarHBondContact CA-O 3.07Å; V58-C86 HydrophobicContact CG2-CB 4.39Å; D59-C86 PolarHBondContact N-O 2.9Å; D59-C86 VanDerWaalsContact N-O 3.09Å
87A77.9Confident71.9Confident32 Ų3295.9 Ų95.926%0.26449%0.494SS..EExtended strand (participates in β ladder)trans-116.3129.4173.600000109D59 L62 H89D59-A87 WeakPolarHBondContact O-CA 3.26Å; L62-A87 HydrophobicContact CD1-CB 3.99Å; L62-A87 HydrophobicContact CG-CB 3.89Å; A87-H89 VanDerWaalsContact C-N 3.27Å; A87-H89 PolarHBondContact O-N 3.01Å
88S67.7Low71.2Confident81 Ų8194.8 Ų94.857%0.56649%0.491SS*.EExtended strand (participates in β ladder)trans-73.5-20.9-177.557.10000113.4D59D59-S88 PolarHBondContact O-N 3.38Å
89H65.5Low71Confident113 Ų11399.3 Ų99.352%0.52351%0.51SS..EExtended strand (participates in β ladder)trans-121.1135.4174.3-58.470.2000108.6D60 I61 A87 G91D60-H89 WeakPolarHBondContact O-CB 3.49Å; D60-H89 PolarHBondContact O-N 3.38Å; I61-H89 HydrophobicContact CG1-CB 4.1Å; A87-H89 VanDerWaalsContact C-N 3.27Å; A87-H89 PolarHBondContact O-N 3.01Å; H89-G91 PolarHBondContact O-N 3.06Å
90E52.9Low71Confident197 Ų19798.1 Ų98.192%0.92150%0.496SS*.  trans-59.696.9155.6-71.1-178.6-177.700106.1K92E90-K92 PolarHBondContact O-N 3.44Å
91G50.2Low71.1Confident11 Ų11101 Ų10111%0.11351%0.505CS..  trans-49.3132151.500000104.9H89 V93H89-G91 PolarHBondContact O-N 3.06Å; G91-V93 PolarHBondContact O-N 2.6Å
92K47.3Very low71.3Confident192 Ų19293.5 Ų93.584%0.83547%0.472SS*.  trans-56.396.3170.2-76.1-178.7179.5176.80105E90 R94E90-K92 PolarHBondContact O-N 3.44Å; K92-R94 PolarHBondContact O-N 3.08Å
93V41.6Very low71.4Confident117 Ų11789.8 Ų89.871%0.70946%0.456SS*.  trans-69.970.7163.9-1730000102.8G91 K95G91-V93 PolarHBondContact O-N 2.6Å; V93-K95 PolarHBondContact O-N 3.22Å; V93-K95 VanDerWaalsContact O-N 3.09Å
94R43.3Very low71.5Confident182 Ų18289.1 Ų89.169%0.68745%0.451SS*.  trans-49.5121.8151.4-81.7-175.9163.6-178-6.7101.5K92 F96K92-R94 PolarHBondContact O-N 3.08Å; R94-F96 PolarHBondContact O-N 3.36Å
95K46.4Very low71.7Confident184 Ų18486.3 Ų86.380%0.844%0.435SS*.  trans-36.3121.3152.5-90.9-179.5169.2-1780104.3V93 V97V93-K95 PolarHBondContact O-N 3.22Å; V93-K95 VanDerWaalsContact O-N 3.09Å; K95-V97 HydrophobicContact CB-CG2 4.37Å; K95-V97 WeakPolarHBondContact O-CG2 3.33Å; K95-V97 PolarHBondContact O-N 3.22Å
96F50.2Low72Confident162 Ų16285.5 Ų85.571%0.71143%0.428SS*.  trans-60.288.1174.7-82.7-90.2000105R94 E98R94-F96 PolarHBondContact O-N 3.36Å; F96-E98 PolarHBondContact O-N 3Å
97V56.1Low72.5Confident55 Ų5584.1 Ų84.133%0.33342%0.418SS..  trans-77.4105.8167.7-1740000101.3K95 N99 Q412 Y463K95-V97 HydrophobicContact CB-CG2 4.37Å; K95-V97 WeakPolarHBondContact O-CG2 3.33Å; K95-V97 PolarHBondContact O-N 3.22Å; V97-N99 PolarHBondContact O-N 3.39Å; V97-Q412 WeakPolarHBondContact CG1-O 3.38Å; V97-Y463 HydrophobicContact CG1-CE1 3.81Å; V97-Y463 WeakPolarHBondContact CG1-OH 3.38Å
98E74.4Confident73.1Confident126 Ų12683.2 Ų83.259%0.58941%0.409SS*.PPolyproline II helixtrans-49.7128.1170.6-172.2-179.4162.800107.5F96 I100 Q460F96-E98 PolarHBondContact O-N 3Å; E98-I100 PolarHBondContact O-N 3.48Å; E98-Q460 PolarHBondContact OE1-NE2 2.75Å
99N88.2Confident74.4Confident134 Ų13482.2 Ų82.272%0.71740%0.401SS*.PPolyproline II helixtrans-71.1120.7178.2-70.1-28.4000108.1V97 G413V97-N99 PolarHBondContact O-N 3.39Å; N99-G413 CarbonylContact C-O 3.55Å; N99-G413 VanDerWaalsContact CA-O 3.27Å; N99-G413 WeakPolarHBondContact CA-O 3.22Å
100I95.1Very high75.9Confident6 Ų680 Ų803%0.03139%0.391CS..EExtended strand (participates in β ladder)trans-102119.8-178.4-58.4167.5000108.1E98 L102 G413 I414 A415 Q460 Y463E98-I100 PolarHBondContact O-N 3.48Å; I100-L102 HydrophobicContact CG2-CD1 4.19Å; I100-L102 HydrophobicContact CG2-CD2 4.09Å; I100-L102 HydrophobicContact CG2-CG 3.87Å; I100-G413 PolarHBondContact N-O 3.28Å; I100-I414 HydrophobicContact CB-CG1 4.45Å; I100-I414 HydrophobicContact CD1-CG1 4.44Å; I100-I414 WeakPolarHBondContact O-CA 3.37Å; I100-A415 PolarHBondContact O-N 2.87Å; I100-Q460 HydrophobicContact CD1-CB 4.01Å; I100-Q460 HydrophobicContact CD1-CG 4.27Å; I100-Q460 HydrophobicContact CG1-CB 4.15Å; I100-Q460 HydrophobicContact CG1-CG 4.08Å; I100-Q460 HydrophobicContact CG2-CB 3.97Å; I100-Q460 HydrophobicContact CG2-CG 4.49Å; I100-Y463 HydrophobicContact CD1-CD1 3.45Å; I100-Y463 VanDerWaalsContact CD1-CD1 3.45Å; I100-Y463 HydrophobicContact CD1-CE1 4.2Å; I100-Y463 HydrophobicContact CD1-CG 4.22Å
101Y95.8Very high78Confident70 Ų7072 Ų7228%0.27535%0.354SS..EExtended strand (participates in β ladder)trans-97115.3178.2-173.7-108000110.5D103 H104 T107 A415 N456Y101-D103 HydrophobicContact CE2-CB 3.86Å; Y101-D103 PolarHBondContact OH-O 3.27Å; Y101-H104 AromaticContact CD1-CD2 3.78Å; Y101-H104 AromaticContact CD1-CE1 3.92Å; Y101-H104 AromaticContact CD1-NE2 3.56Å; Y101-H104 PolarHBondContact O-CD2 2.95Å; Y101-H104 PolarHBondContact O-NE2 3.04Å; Y101-T107 WeakPolarHBondContact CE1-O 3.49Å; Y101-T107 PolarHBondContact OH-O 3.1Å; Y101-T107 VanDerWaalsContact OH-O 3.06Å; Y101-A415 HydrophobicContact CD2-CB 3.88Å; Y101-A415 HydrophobicContact CE2-CB 4.45Å; Y101-N456 PolarHBondContact O-ND2 3.02Å
102L97.3Very high80.2Confident0 Ų075.1 Ų75.10%037%0.373CS..  trans-125.531.8-179.6-60173.6000111.6I100 I414 A415 V416 V450 S451 F452 F464I100-L102 HydrophobicContact CG2-CD1 4.19Å; I100-L102 HydrophobicContact CG2-CD2 4.09Å; I100-L102 HydrophobicContact CG2-CG 3.87Å; L102-I414 HydrophobicContact CD1-CG2 3.99Å; L102-A415 CarbonylContact C-O 3.55Å; L102-A415 VanDerWaalsContact C-O 3.3Å; L102-A415 VanDerWaalsContact CA-O 3.28Å; L102-A415 WeakPolarHBondContact CA-O 3.33Å; L102-A415 WeakPolarHBondContact CB-O 3.41Å; L102-A415 PolarHBondContact N-O 3.24Å; L102-V416 HydrophobicContact CB-CG1 3.75Å; L102-V416 HydrophobicContact CD1-CG1 4.28Å; L102-V450 HydrophobicContact CB-CG1 3.97Å; L102-V450 HydrophobicContact CD1-CG1 4.09Å; L102-V450 HydrophobicContact CG-CG1 4.45Å; L102-S451 CarbonylContact C-O 3.6Å; L102-S451 WeakPolarHBondContact CA-O 3.13Å; L102-S451 PolarHBondContact O-N 3.27Å; L102-S451 VanDerWaalsContact O-O 3.08Å; L102-S451 PolarHBondContact O-OG 3.24Å; L102-F452 HydrophobicContact CD2-CD1 3.89Å; L102-F452 HydrophobicContact CD2-CE1 4.18Å; L102-F464 HydrophobicContact CD1-CB 3.83Å; L102-F464 HydrophobicContact CD1-CD1 3.71Å; L102-F464 HydrophobicContact CD1-CD2 3.85Å; L102-F464 HydrophobicContact CD1-CE1 4.22Å; L102-F464 HydrophobicContact CD1-CE2 4.33Å; L102-F464 HydrophobicContact CD1-CG 3.49Å; L102-F464 VanDerWaalsContact CD1-CG 3.49Å; L102-F464 HydrophobicContact CD1-CZ 4.49Å
103D95.8Very high82.7Confident27 Ų2770.3 Ų70.314%0.14435%0.353CS..BIsolated β-bridgetrans-11837.2175.8-168.732.9000112.1Y101 A105 A106 T107 S417 R449 S451Y101-D103 HydrophobicContact CE2-CB 3.86Å; Y101-D103 PolarHBondContact OH-O 3.27Å; D103-A105 PolarHBondContact O-N 2.82Å; D103-A105 VanDerWaalsContact O-N 3.08Å; D103-A106 WeakPolarHBondContact O-CB 3.36Å; D103-A106 PolarHBondContact O-N 2.82Å; D103-A106 WeakPolarHBondContact OD2-CB 3.19Å; D103-T107 PolarHBondContact O-N 2.86Å; D103-S417 VanDerWaalsContact OD1-CB 3.27Å; D103-S417 WeakPolarHBondContact OD1-CB 3.42Å; D103-S417 PolarHBondContact OD1-OG 2.62Å; D103-R449 IonicContact OD1-CZ 3.7Å; D103-R449 IonicContact OD1-NE 3Å; D103-R449 IonicContact OD1-NH2 3.73Å; D103-R449 PolarHBondContact OD1-NH2 3.17Å; D103-S451 VanDerWaalsContact CA-OG 3.29Å; D103-S451 WeakPolarHBondContact CA-OG 3.2Å
104H96.3Very high85.4Confident8 Ų864.7 Ų64.74%0.03732%0.319CS..THydrogen-bonded Turntrans-60.4-17.5179.8-73.5-93.7000114.7Y101 A106 T107 S108 P109 S451 F452 G453 Y454 N456Y101-H104 AromaticContact CD1-CD2 3.78Å; Y101-H104 AromaticContact CD1-CE1 3.92Å; Y101-H104 AromaticContact CD1-NE2 3.56Å; Y101-H104 PolarHBondContact O-CD2 2.95Å; Y101-H104 PolarHBondContact O-NE2 3.04Å; H104-A106 VanDerWaalsContact C-N 3.3Å; H104-T107 WeakPolarHBondContact CA-O 3.28Å; H104-S108 PolarHBondContact ND1-OG 3.42Å; H104-P109 WeakPolarHBondContact CE1-CD 3.36Å; H104-S451 PolarHBondContact CD2-O 2.69Å; H104-S451 PolarHBondContact N-O 2.83Å; H104-S451 PolarHBondContact N-OG 2.94Å; H104-F452 WeakPolarHBondContact CB-O 3.33Å; H104-G453 PolarHBondContact CD2-N 2.81Å; H104-G453 WeakPolarHBondContact ND1-CA 3.36Å; H104-Y454 PolarHBondContact CE1-O 2.62Å; H104-N456 PolarHBondContact CD2-OD1 3.1Å; H104-N456 PolarHBondContact NE2-OD1 3.3Å
105A94.3Very high88Confident2 Ų259.2 Ų59.22%0.01731%0.306CS..THydrogen-bonded Turntrans-73.4-18.3170.300000113.7D103 K298 V392 R449 S451D103-A105 PolarHBondContact O-N 2.82Å; D103-A105 VanDerWaalsContact O-N 3.08Å; A105-K298 WeakPolarHBondContact O-CE 3.34Å; A105-K298 PolarHBondContact O-NZ 3.32Å; A105-V392 HydrophobicContact CB-CG2 4.44Å; A105-R449 VanDerWaalsContact CB-CZ 3.49Å; A105-S451 WeakPolarHBondContact CB-OG 3.47Å; A105-S451 PolarHBondContact N-OG 2.87Å
106A92.8Very high90.5Very high40 Ų4053.3 Ų53.333%0.33129%0.291SS..THydrogen-bonded Turntrans-83.1-53.8168.400000111.4D103 H104 K298D103-A106 WeakPolarHBondContact O-CB 3.36Å; D103-A106 PolarHBondContact O-N 2.82Å; D103-A106 WeakPolarHBondContact OD2-CB 3.19Å; H104-A106 VanDerWaalsContact C-N 3.3Å; A106-K298 WeakPolarHBondContact O-CE 3.44Å
107T92.6Very high92.8Very high28 Ų2847.2 Ų47.217%0.17227%0.267CS..  trans-159.8158.3173.3-168.50000109.4Y101 D103 H104 H297 K303Y101-T107 WeakPolarHBondContact CE1-O 3.49Å; Y101-T107 PolarHBondContact OH-O 3.1Å; Y101-T107 VanDerWaalsContact OH-O 3.06Å; D103-T107 PolarHBondContact O-N 2.86Å; H104-T107 WeakPolarHBondContact CA-O 3.28Å; T107-H297 PolarHBondContact OG1-ND1 3.44Å; T107-H297 VanDerWaalsContact OG1-ND1 3.12Å; T107-K303 VanDerWaalsContact OG1-CE 3.28Å; T107-K303 WeakPolarHBondContact OG1-CE 3.09Å
108S92.3Very high94.8Very high12 Ų1246.1 Ų46.18%0.08426%0.259CS..  trans-115.5150.7176.4-163.80000111.4H104 H297 N300H104-S108 PolarHBondContact ND1-OG 3.42Å; S108-H297 PolarHBondContact N-O 3.09Å; S108-N300 PolarHBondContact OG-ND2 2.94Å
109P93.4Very high95.9Very high61 Ų6143.7 Ų43.740%0.39625%0.253SS..PPolyproline II helixtrans-55.3143.1167.1-2434.5000111.2H104 N300H104-P109 WeakPolarHBondContact CE1-CD 3.36Å; P109-N300 WeakPolarHBondContact O-CA 3.07Å; P109-N300 PolarHBondContact O-ND2 2.7Å
110M96.8Very high96.3Very high65 Ų6541.2 Ų41.232%0.3224%0.237SC..PPolyproline II helixtrans-72.9138.3177.1-165.4179.8-48.500110V114 V115 M118 N300 P302M110-V114 HydrophobicContact CG-CB 3.87Å; M110-V114 HydrophobicContact CG-CG1 3.61Å; M110-V114 HydrophobicContact SD-CB 4.33Å; M110-V114 HydrophobicContact SD-CG1 3.67Å; M110-V115 HydrophobicContact CB-CG2 4.07Å; M110-V115 HydrophobicContact CG-CG2 3.88Å; M110-V115 HydrophobicContact SD-CB 4.43Å; M110-V115 HydrophobicContact SD-CG2 3.56Å; M110-V115 VanDerWaalsContact SD-CG2 3.56Å; M110-M118 HydrophobicContact CE-SD 4.02Å; M110-M118 HydrophobicContact SD-SD 3.56Å; M110-N300 WeakPolarHBondContact CA-O 3.11Å; M110-N300 WeakPolarHBondContact CG-O 3.48Å; M110-P302 HydrophobicContact CE-CB 3.85Å
111H97.5Very high96.5Very high30 Ų3041.2 Ų41.214%0.13924%0.237CC..PPolyproline II helixtrans-65.6139.6176.4-165.8-89.4000110.5E113 V114 V115 N300 L348 Y454H111-E113 VanDerWaalsContact C-N 3.3Å; H111-E113 IonicContact CE1-OE1 3.37Å; H111-E113 PolarHBondContact ND1-N 3.03Å; H111-E113 PolarHBondContact O-N 3.24Å; H111-V114 HydrophobicContact CB-CB 4.23Å; H111-V114 HydrophobicContact CB-CG2 3.83Å; H111-V114 WeakPolarHBondContact O-CA 3.41Å; H111-V114 VanDerWaalsContact O-CB 3.29Å; H111-V114 WeakPolarHBondContact O-CB 3.48Å; H111-V114 PolarHBondContact O-N 2.63Å; H111-V115 PolarHBondContact O-N 3.16Å; H111-N300 HydrophobicContact CB-CB 4.15Å; H111-N300 PolarHBondContact N-O 2.81Å; H111-L348 HydrophobicContact CB-CD1 4.24Å; H111-L348 WeakPolarHBondContact ND1-CD1 3.45Å; H111-Y454 AromaticContact CD2-CD2 3.89Å; H111-Y454 AromaticContact CD2-CE2 3.26Å; H111-Y454 WeakPolarHBondContact CD2-CE2 3.32Å; H111-Y454 AromaticContact CD2-CZ 3.38Å; H111-Y454 AromaticContact NE2-CE2 3.53Å; H111-Y454 AromaticContact NE2-CZ 3.74Å
112P97.5Very high96.5Very high77 Ų7743.5 Ų43.550%0.525%0.253SS..Hα-helixtrans-56.1-40.1-179.2-28.135.7000113.9V114 V115 A116 Y454P112-V114 VanDerWaalsContact C-N 3.27Å; P112-V114 PolarHBondContact O-N 3.38Å; P112-V115 WeakPolarHBondContact O-CB 3.32Å; P112-V115 PolarHBondContact O-N 2.76Å; P112-A116 PolarHBondContact O-N 3.13Å; P112-Y454 WeakPolarHBondContact CD-OH 3.42Å
113E98.3Very high96.4Very high90 Ų9048.1 Ų48.142%0.42128%0.282SS..Hα-helixtrans-63.8-32.5174.3-69.3-178.3-12100112.9H111 A116 T117 K344 L348H111-E113 VanDerWaalsContact C-N 3.3Å; H111-E113 IonicContact CE1-OE1 3.37Å; H111-E113 PolarHBondContact ND1-N 3.03Å; H111-E113 PolarHBondContact O-N 3.24Å; E113-A116 PolarHBondContact O-N 3.29Å; E113-T117 PolarHBondContact O-N 2.76Å; E113-T117 PolarHBondContact O-OG1 3.37Å; E113-T117 VanDerWaalsContact O-OG1 3.08Å; E113-K344 WeakPolarHBondContact OE2-CE 3.39Å; E113-K344 IonicContact OE2-NZ 2.95Å; E113-K344 PolarHBondContact OE2-NZ 2.87Å; E113-L348 HydrophobicContact CB-CD1 4.26Å
114V98.6Very high96.3Very high0 Ų053 Ų530%030%0.303CS..Hα-helixtrans-68.4-42.6175.3173.60000110M110 H111 P112 A116 T117 M118 G341 K344 A345 L348M110-V114 HydrophobicContact CG-CB 3.87Å; M110-V114 HydrophobicContact CG-CG1 3.61Å; M110-V114 HydrophobicContact SD-CB 4.33Å; M110-V114 HydrophobicContact SD-CG1 3.67Å; H111-V114 HydrophobicContact CB-CB 4.23Å; H111-V114 HydrophobicContact CB-CG2 3.83Å; H111-V114 WeakPolarHBondContact O-CA 3.41Å; H111-V114 VanDerWaalsContact O-CB 3.29Å; H111-V114 WeakPolarHBondContact O-CB 3.48Å; H111-V114 PolarHBondContact O-N 2.63Å; P112-V114 VanDerWaalsContact C-N 3.27Å; P112-V114 PolarHBondContact O-N 3.38Å; V114-A116 VanDerWaalsContact C-N 3.33Å; V114-A116 PolarHBondContact O-N 3.27Å; V114-T117 PolarHBondContact O-N 2.71Å; V114-M118 HydrophobicContact CG1-CG 4.49Å; V114-M118 HydrophobicContact CG1-SD 4.26Å; V114-M118 VanDerWaalsContact O-CG 3.3Å; V114-M118 WeakPolarHBondContact O-CG 3.49Å; V114-M118 PolarHBondContact O-N 2.93Å; V114-G341 VanDerWaalsContact CG1-O 3.28Å; V114-G341 WeakPolarHBondContact CG1-O 3.21Å; V114-K344 HydrophobicContact CG2-CB 4.17Å; V114-K344 HydrophobicContact CG2-CG 4.05Å; V114-A345 HydrophobicContact CG2-CB 3.8Å; V114-L348 HydrophobicContact CG2-CD1 4.28Å
115V98.3Very high96.2Very high67 Ų6753.4 Ų53.441%0.40631%0.307SS..Hα-helixtrans-57.7-48.5174177.70000110.2M110 H111 P112 T117 M118 T119M110-V115 HydrophobicContact CB-CG2 4.07Å; M110-V115 HydrophobicContact CG-CG2 3.88Å; M110-V115 HydrophobicContact SD-CB 4.43Å; M110-V115 HydrophobicContact SD-CG2 3.56Å; M110-V115 VanDerWaalsContact SD-CG2 3.56Å; H111-V115 PolarHBondContact O-N 3.16Å; P112-V115 WeakPolarHBondContact O-CB 3.32Å; P112-V115 PolarHBondContact O-N 2.76Å; V115-T117 PolarHBondContact O-N 3.19Å; V115-M118 PolarHBondContact O-N 3.07Å; V115-T119 PolarHBondContact O-N 3.41Å; V115-T119 PolarHBondContact O-OG1 2.76Å; V115-T119 VanDerWaalsContact O-OG1 3.12Å
116A98.4Very high96.1Very high60 Ų6060.4 Ų60.450%0.49634%0.337SS..Hα-helixtrans-59.4-47179.100000112.3P112 E113 V114 M118 T119 E120P112-A116 PolarHBondContact O-N 3.13Å; E113-A116 PolarHBondContact O-N 3.29Å; V114-A116 VanDerWaalsContact C-N 3.33Å; V114-A116 PolarHBondContact O-N 3.27Å; A116-M118 VanDerWaalsContact C-N 3.33Å; A116-M118 PolarHBondContact O-N 3.12Å; A116-T119 PolarHBondContact O-N 3.02Å; A116-E120 PolarHBondContact O-N 2.75Å
117T98.5Very high96.1Very high33 Ų3358.9 Ų58.920%0.20233%0.326CS..Hα-helixtrans-59.5-43175.5-63.40000111.8E113 V114 V115 E120 I121 C340 K344E113-T117 PolarHBondContact O-N 2.76Å; E113-T117 PolarHBondContact O-OG1 3.37Å; E113-T117 VanDerWaalsContact O-OG1 3.08Å; V114-T117 PolarHBondContact O-N 2.71Å; V115-T117 PolarHBondContact O-N 3.19Å; T117-E120 PolarHBondContact O-N 3.44Å; T117-I121 VanDerWaalsContact O-CG1 3.32Å; T117-I121 WeakPolarHBondContact O-CG1 3.46Å; T117-I121 PolarHBondContact O-N 3.06Å; T117-I121 VanDerWaalsContact O-N 3.13Å; T117-C340 HydrophobicContact CG2-CB 4.28Å; T117-K344 HydrophobicContact CG2-CB 4.24Å
118M98.3Very high96.1Very high32 Ų3260.3 Ų60.316%0.15833%0.332CS..Hα-helixtrans-63.7-43.4177.3-71.7-177.366.500111.9M110 V114 V115 A116 I121 L122 P302 A337M110-M118 HydrophobicContact CE-SD 4.02Å; M110-M118 HydrophobicContact SD-SD 3.56Å; V114-M118 HydrophobicContact CG1-CG 4.49Å; V114-M118 HydrophobicContact CG1-SD 4.26Å; V114-M118 VanDerWaalsContact O-CG 3.3Å; V114-M118 WeakPolarHBondContact O-CG 3.49Å; V114-M118 PolarHBondContact O-N 2.93Å; V115-M118 PolarHBondContact O-N 3.07Å; A116-M118 VanDerWaalsContact C-N 3.33Å; A116-M118 PolarHBondContact O-N 3.12Å; M118-I121 PolarHBondContact O-N 3.47Å; M118-L122 WeakPolarHBondContact O-CB 3.5Å; M118-L122 VanDerWaalsContact O-CG 3.24Å; M118-L122 WeakPolarHBondContact O-CG 3.43Å; M118-L122 PolarHBondContact O-N 3.33Å; M118-P302 HydrophobicContact CE-CB 3.76Å; M118-P302 HydrophobicContact CE-CG 4.1Å; M118-P302 HydrophobicContact SD-CB 3.59Å; M118-P302 VanDerWaalsContact SD-CB 3.59Å; M118-P302 HydrophobicContact SD-CG 3.63Å; M118-A337 WeakPolarHBondContact CG-O 3.41Å
119T97.9Very high96.2Very high75 Ų7560.6 Ų60.646%0.4633%0.334SS..Hα-helixtrans-60.6-45.2177.8-61.30000111.4V115 A116 I121 L122 T123V115-T119 PolarHBondContact O-N 3.41Å; V115-T119 PolarHBondContact O-OG1 2.76Å; V115-T119 VanDerWaalsContact O-OG1 3.12Å; A116-T119 PolarHBondContact O-N 3.02Å; T119-I121 PolarHBondContact O-N 3Å; T119-L122 PolarHBondContact O-N 3.36Å; T119-T123 PolarHBondContact O-N 2.96Å; T119-T123 PolarHBondContact O-OG1 2.9Å
120E97.5Very high96.1Very high82 Ų8261.2 Ų61.238%0.38334%0.339SS..Hα-helixtrans-57-48.1175.7-175.7-166.9139.600111.4A116 T117 L122 T123 E124 K142A116-E120 PolarHBondContact O-N 2.75Å; T117-E120 PolarHBondContact O-N 3.44Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.33Å; E120-T123 PolarHBondContact O-N 3.11Å; E120-T123 PolarHBondContact O-OG1 3.24Å; E120-T123 VanDerWaalsContact O-OG1 3.05Å; E120-E124 HydrophobicContact CG-CG 4.48Å; E120-E124 WeakPolarHBondContact O-CB 3.48Å; E120-E124 WeakPolarHBondContact O-CG 3.47Å; E120-E124 PolarHBondContact O-N 2.93Å; E120-K142 IonicContact OE1-NZ 2.82Å
121I97.4Very high95.9Very high6 Ų660 Ų603%0.03134%0.337CS..Hα-helixtrans-63.1-41.5179.5-64.1-65.3000111.3T117 M118 T119 T123 T125 K142 L336 A337 C340T117-I121 VanDerWaalsContact O-CG1 3.32Å; T117-I121 WeakPolarHBondContact O-CG1 3.46Å; T117-I121 PolarHBondContact O-N 3.06Å; T117-I121 VanDerWaalsContact O-N 3.13Å; M118-I121 PolarHBondContact O-N 3.47Å; T119-I121 PolarHBondContact O-N 3Å; I121-T123 VanDerWaalsContact C-N 3.31Å; I121-T123 PolarHBondContact O-N 3.17Å; I121-T125 CarbonylContact O-C 3.53Å; I121-T125 WeakPolarHBondContact O-CA 3.08Å; I121-T125 PolarHBondContact O-N 3.49Å; I121-K142 HydrophobicContact CD1-CD 3.91Å; I121-K142 HydrophobicContact CD1-CG 4.11Å; I121-L336 HydrophobicContact CG2-CD2 4.32Å; I121-L336 HydrophobicContact CG2-CG 4.14Å; I121-A337 HydrophobicContact CB-CB 4.41Å; I121-A337 HydrophobicContact CG2-CB 4Å; I121-C340 HydrophobicContact CD1-CB 4.31Å; I121-C340 HydrophobicContact CG1-CB 3.81Å
122L95.8Very high95.7Very high119 Ų11964.6 Ų64.662%0.62337%0.367SS*.Hα-helixtrans-62.7-36.4177.7-72.9168.7000112.6M118 T119 E120 A337M118-L122 WeakPolarHBondContact O-CB 3.5Å; M118-L122 VanDerWaalsContact O-CG 3.24Å; M118-L122 WeakPolarHBondContact O-CG 3.43Å; M118-L122 PolarHBondContact O-N 3.33Å; T119-L122 PolarHBondContact O-N 3.36Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.33Å; L122-A337 HydrophobicContact CD2-CB 3.81Å; L122-A337 HydrophobicContact CG-CB 3.88Å
123T95.5Very high95.6Very high97 Ų9765.3 Ų65.360%0.59536%0.363SS*.Hα-helixtrans-84.4-35.2-178.850.50000113.2T119 E120 I121T119-T123 PolarHBondContact O-N 2.96Å; T119-T123 PolarHBondContact O-OG1 2.9Å; E120-T123 PolarHBondContact O-N 3.11Å; E120-T123 PolarHBondContact O-OG1 3.24Å; E120-T123 VanDerWaalsContact O-OG1 3.05Å; I121-T123 VanDerWaalsContact C-N 3.31Å; I121-T123 PolarHBondContact O-N 3.17Å
124E95.1Very high95.5Very high128 Ų12865.5 Ų65.560%0.59837%0.367SS*.Hα-helixtrans-109.3-27.5-167.2-58.4-171.9-175.400114.1E120E120-E124 HydrophobicContact CG-CG 4.48Å; E120-E124 WeakPolarHBondContact O-CB 3.48Å; E120-E124 WeakPolarHBondContact O-CG 3.47Å; E120-E124 PolarHBondContact O-N 2.93Å
125T94.4Very high95.3Very high18 Ų1870 Ų7011%0.1139%0.387CS..  trans-126.674-171.9-49.40000112I121 A139 K142 L336I121-T125 CarbonylContact O-C 3.53Å; I121-T125 WeakPolarHBondContact O-CA 3.08Å; I121-T125 PolarHBondContact O-N 3.49Å; T125-A139 HydrophobicContact CG2-CB 4Å; T125-K142 HydrophobicContact CG2-CG 4.31Å; T125-L336 HydrophobicContact CG2-CD2 3.84Å
126F91.5Very high95.2Very high148 Ų14866.9 Ų66.965%0.64937%0.368SS*.  trans-93.1-3.8-179.265.4-91.3000114.6F135F126-F135 HydrophobicContact CE1-CD1 4.15Å; F126-F135 HydrophobicContact CE1-CE1 4.25Å; F126-F135 AromaticContact CZ-CD1 3.86Å; F126-F135 HydrophobicContact CZ-CD1 3.86Å; F126-F135 AromaticContact CZ-CE1 3.96Å; F126-F135 HydrophobicContact CZ-CE1 3.96Å; F126-F135 HydrophobicContact CZ-CG 4.33Å
127G92.8Very high95.2Very high9 Ų971 Ų719%0.09337%0.371CS..SBendtrans-64.6148.8-177.200000112.7A139G127-A139 WeakPolarHBondContact O-CB 3.41Å
128N92.9Very high95.1Very high58 Ų5873.8 Ų73.831%0.3138%0.381SS..  trans-74.7124.1170-176.8-31.4000109.4S130 S131 G136N128-S130 PolarHBondContact O-N 3Å; N128-S130 WeakPolarHBondContact OD1-CB 3.34Å; N128-S130 PolarHBondContact OD1-N 3.35Å; N128-S131 WeakPolarHBondContact O-CB 3.13Å; N128-S131 PolarHBondContact O-N 2.91Å; N128-G136 WeakPolarHBondContact O-CA 3.38Å
129P94Very high95Very high18 Ų1872.3 Ų72.312%0.11737%0.374CS..THydrogen-bonded Turntrans-53.4-27.6178.9-27.535000114.7S131 A139 A140 L143P129-S131 VanDerWaalsContact C-N 3.28Å; P129-S131 PolarHBondContact O-N 3.07Å; P129-A139 HydrophobicContact CB-CB 4.49Å; P129-A139 HydrophobicContact CG-CB 4.03Å; P129-A140 HydrophobicContact CB-CB 4.36Å; P129-L143 HydrophobicContact CB-CD2 4.05Å; P129-L143 HydrophobicContact CG-CD2 4.29Å
130S91.3Very high94.9Very high74 Ų7470.3 Ų70.352%0.51737%0.365SS..THydrogen-bonded Turntrans-77.6-7.9178.3-61.10000114N128N128-S130 PolarHBondContact O-N 3Å; N128-S130 WeakPolarHBondContact OD1-CB 3.34Å; N128-S130 PolarHBondContact OD1-N 3.35Å
131S93Very high94.9Very high38 Ų3868 Ų6827%0.26636%0.363SS..  trans-82.1136-178.5-72.90000112.6N128 P129 H133 G136N128-S131 WeakPolarHBondContact O-CB 3.13Å; N128-S131 PolarHBondContact O-N 2.91Å; P129-S131 VanDerWaalsContact C-N 3.28Å; P129-S131 PolarHBondContact O-N 3.07Å; S131-H133 VanDerWaalsContact CB-NE2 3.34Å; S131-H133 WeakPolarHBondContact CB-NE2 3.33Å; S131-H133 PolarHBondContact O-N 3.3Å; S131-H133 PolarHBondContact OG-NE2 3.33Å; S131-G136 CarbonylContact O-C 3.57Å; S131-G136 VanDerWaalsContact O-CA 3.3Å; S131-G136 WeakPolarHBondContact O-CA 3.34Å
132V92.8Very high95Very high128 Ų12871 Ų7178%0.77638%0.376SS*.  trans-76.7-17.8-178-61.40000114.7R137V132-R137 PolarHBondContact O-NH1 2.98Å
133H95.4Very high95Very high91 Ų9165.9 Ų65.942%0.42135%0.349SS..SBendtrans-75.7173.2-178.960.262.5000112.3S131 F135 G136 R137S131-H133 VanDerWaalsContact CB-NE2 3.34Å; S131-H133 WeakPolarHBondContact CB-NE2 3.33Å; S131-H133 PolarHBondContact O-N 3.3Å; S131-H133 PolarHBondContact OG-NE2 3.33Å; H133-F135 AromaticContact ND1-CD2 3.87Å; H133-F135 PolarHBondContact ND1-N 2.74Å; H133-F135 PolarHBondContact O-N 2.77Å; H133-G136 PolarHBondContact ND1-N 3.44Å; H133-G136 PolarHBondContact O-N 3.4Å; H133-R137 PolarHBondContact O-N 2.83Å
134L95.3Very high95.2Very high94 Ų9464.9 Ų64.949%0.49234%0.338SS..Hα-helixtrans-47.6-53.9-175.6177.662.7000113.3G136 R137 Q138L134-G136 VanDerWaalsContact C-N 3.29Å; L134-G136 PolarHBondContact O-N 3.24Å; L134-R137 PolarHBondContact O-N 2.85Å; L134-Q138 HydrophobicContact CD1-CG 4.3Å; L134-Q138 WeakPolarHBondContact O-CG 3.09Å; L134-Q138 PolarHBondContact O-N 2.62Å
135F95.7Very high95.3Very high96 Ų9664.3 Ų64.342%0.42134%0.336SS..Hα-helixtrans-61.1-35.2-178.4-53.9-79.5000113.6F126 H133 A139F126-F135 HydrophobicContact CE1-CD1 4.15Å; F126-F135 HydrophobicContact CE1-CE1 4.25Å; F126-F135 AromaticContact CZ-CD1 3.86Å; F126-F135 HydrophobicContact CZ-CD1 3.86Å; F126-F135 AromaticContact CZ-CE1 3.96Å; F126-F135 HydrophobicContact CZ-CE1 3.96Å; F126-F135 HydrophobicContact CZ-CG 4.33Å; H133-F135 AromaticContact ND1-CD2 3.87Å; H133-F135 PolarHBondContact ND1-N 2.74Å; H133-F135 PolarHBondContact O-N 2.77Å; F135-A139 PolarHBondContact O-N 3.13Å; F135-A139 VanDerWaalsContact O-N 3.17Å
136G96.5Very high95.5Very high0 Ų063.7 Ų63.70%033%0.333CS..Hα-helixtrans-73.6-39.3177.300000112.3N128 S131 H133 L134 Q138 A139 A140N128-G136 WeakPolarHBondContact O-CA 3.38Å; S131-G136 CarbonylContact O-C 3.57Å; S131-G136 VanDerWaalsContact O-CA 3.3Å; S131-G136 WeakPolarHBondContact O-CA 3.34Å; H133-G136 PolarHBondContact ND1-N 3.44Å; H133-G136 PolarHBondContact O-N 3.4Å; L134-G136 VanDerWaalsContact C-N 3.29Å; L134-G136 PolarHBondContact O-N 3.24Å; G136-Q138 VanDerWaalsContact C-N 3.33Å; G136-Q138 PolarHBondContact O-N 3.38Å; G136-A139 PolarHBondContact O-N 3.28Å; G136-A140 WeakPolarHBondContact O-CB 3.42Å; G136-A140 PolarHBondContact O-N 2.78Å
137R96.7Very high95.8Very high148 Ų14857.1 Ų57.156%0.55830%0.304SS*.Hα-helixtrans-63.1-36.8173.3-64.9-168.4-56-1005.3112.8V132 H133 L134 G141V132-R137 PolarHBondContact O-NH1 2.98Å; H133-R137 PolarHBondContact O-N 2.83Å; L134-R137 PolarHBondContact O-N 2.85Å; R137-G141 PolarHBondContact O-N 3.3Å
138Q96.4Very high96.1Very high91 Ų9162.8 Ų62.843%0.42533%0.328SS..Hα-helixtrans-63.9-45.8174-74.2173.6-41.500111.4L134 G136 G141 K142L134-Q138 HydrophobicContact CD1-CG 4.3Å; L134-Q138 WeakPolarHBondContact O-CG 3.09Å; L134-Q138 PolarHBondContact O-N 2.62Å; G136-Q138 VanDerWaalsContact C-N 3.33Å; G136-Q138 PolarHBondContact O-N 3.38Å; Q138-G141 PolarHBondContact O-N 3.35Å; Q138-K142 PolarHBondContact O-N 2.92Å; Q138-K142 VanDerWaalsContact O-N 3.11Å
139A97.2Very high96.4Very high0 Ų062.2 Ų62.20%033%0.327CS..Hα-helixtrans-62.7-44.9176.300000112.6T125 G127 P129 F135 G136 G141 K142 L143 L336T125-A139 HydrophobicContact CG2-CB 4Å; G127-A139 WeakPolarHBondContact O-CB 3.41Å; P129-A139 HydrophobicContact CB-CB 4.49Å; P129-A139 HydrophobicContact CG-CB 4.03Å; F135-A139 PolarHBondContact O-N 3.13Å; F135-A139 VanDerWaalsContact O-N 3.17Å; G136-A139 PolarHBondContact O-N 3.28Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 2.94Å; A139-K142 PolarHBondContact O-N 2.94Å; A139-L143 PolarHBondContact O-N 2.84Å; A139-L336 HydrophobicContact CB-CD2 3.7Å
140A96.7Very high96.6Very high34 Ų3461.4 Ų61.428%0.28132%0.321SS..Hα-helixtrans-60-40.8174.700000112.2P129 G136 L143 E144P129-A140 HydrophobicContact CB-CB 4.36Å; G136-A140 WeakPolarHBondContact O-CB 3.42Å; G136-A140 PolarHBondContact O-N 2.78Å; A140-L143 WeakPolarHBondContact O-CB 3.47Å; A140-L143 PolarHBondContact O-N 2.88Å; A140-E144 PolarHBondContact O-N 2.9Å
141G97.2Very high96.9Very high33 Ų3357.9 Ų57.934%0.3430%0.297SS..Hα-helixtrans-59.8-45.4174.600000112.7R137 Q138 A139 E144 M145R137-G141 PolarHBondContact O-N 3.3Å; Q138-G141 PolarHBondContact O-N 3.35Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 2.94Å; G141-E144 PolarHBondContact O-N 3.2Å; G141-M145 VanDerWaalsContact O-CG 3.25Å; G141-M145 WeakPolarHBondContact O-CG 3.45Å; G141-M145 PolarHBondContact O-N 3.04Å
142K98Very high97.2Very high68 Ų6864 Ų6430%0.29632%0.319SS..Hα-helixtrans-64.4-39.9176.3-68-72.3-169.9164.30112.2E120 I121 T125 Q138 A139 M145 A146 L336E120-K142 IonicContact OE1-NZ 2.82Å; I121-K142 HydrophobicContact CD1-CD 3.91Å; I121-K142 HydrophobicContact CD1-CG 4.11Å; T125-K142 HydrophobicContact CG2-CG 4.31Å; Q138-K142 PolarHBondContact O-N 2.92Å; Q138-K142 VanDerWaalsContact O-N 3.11Å; A139-K142 PolarHBondContact O-N 2.94Å; K142-M145 PolarHBondContact O-N 2.83Å; K142-A146 WeakPolarHBondContact O-CB 3.25Å; K142-A146 PolarHBondContact O-N 2.85Å; K142-L336 HydrophobicContact CB-CD1 4.27Å
143L97.7Very high97.4Very high13 Ų1359.5 Ų59.57%0.06829%0.293CS..Hα-helixtrans-60.3-45.5176.1-175.265.5000111.4P129 A139 A140 A146 R147 F163 E334 L336 I339P129-L143 HydrophobicContact CB-CD2 4.05Å; P129-L143 HydrophobicContact CG-CD2 4.29Å; A139-L143 PolarHBondContact O-N 2.84Å; A140-L143 WeakPolarHBondContact O-CB 3.47Å; A140-L143 PolarHBondContact O-N 2.88Å; L143-A146 PolarHBondContact O-N 2.98Å; L143-R147 PolarHBondContact O-N 2.89Å; L143-F163 HydrophobicContact CD1-CD2 3.67Å; L143-F163 HydrophobicContact CD1-CE2 3.63Å; L143-F163 HydrophobicContact CG-CE2 4.28Å; L143-E334 HydrophobicContact CD1-CB 4.42Å; L143-E334 HydrophobicContact CD1-CG 4.49Å; L143-E334 HydrophobicContact CD2-CG 4.21Å; L143-L336 HydrophobicContact CB-CD1 3.93Å; L143-L336 HydrophobicContact CD1-CD1 4.27Å; L143-I339 HydrophobicContact CD1-CD1 3.65Å; L143-I339 HydrophobicContact CD1-CG2 4.03Å
144E97.8Very high97.5Very high76 Ų7655.2 Ų55.236%0.35527%0.273SS..Hα-helixtrans-68.8-41.1-179.5-168.561.8-171.200112.3A140 G141 A146 R147 E148 Y158A140-E144 PolarHBondContact O-N 2.9Å; G141-E144 PolarHBondContact O-N 3.2Å; E144-A146 VanDerWaalsContact C-N 3.32Å; E144-A146 PolarHBondContact O-N 3.47Å; E144-R147 WeakPolarHBondContact O-CB 3.34Å; E144-R147 PolarHBondContact O-N 2.8Å; E144-R147 VanDerWaalsContact O-N 3.14Å; E144-R147 IonicContact OE2-NE 3.64Å; E144-E148 PolarHBondContact O-N 3.16Å; E144-Y158 WeakPolarHBondContact OE1-CD2 3.48Å; E144-Y158 WeakPolarHBondContact OE1-CE2 3.21Å
145M98.2Very high97.7Very high115 Ų11553 Ų5357%0.56727%0.273SS*.Hα-helixtrans-59.5-42.7173.3-70.8172.969.400111.9G141 K142 R147 E148 V149G141-M145 VanDerWaalsContact O-CG 3.25Å; G141-M145 WeakPolarHBondContact O-CG 3.45Å; G141-M145 PolarHBondContact O-N 3.04Å; K142-M145 PolarHBondContact O-N 2.83Å; M145-R147 VanDerWaalsContact C-N 3.29Å; M145-R147 PolarHBondContact O-N 3.39Å; M145-E148 PolarHBondContact O-N 3.42Å; M145-V149 WeakPolarHBondContact O-CG2 3.4Å; M145-V149 PolarHBondContact O-N 3.15Å
146A98.5Very high97.8Very high5 Ų549.2 Ų49.24%0.04126%0.258CS..Hα-helixtrans-62-39.7176.100000111.7K142 L143 E144 V149 I150 F163 I339 A343K142-A146 WeakPolarHBondContact O-CB 3.25Å; K142-A146 PolarHBondContact O-N 2.85Å; L143-A146 PolarHBondContact O-N 2.98Å; E144-A146 VanDerWaalsContact C-N 3.32Å; E144-A146 PolarHBondContact O-N 3.47Å; A146-V149 PolarHBondContact O-N 3.05Å; A146-I150 WeakPolarHBondContact O-CG1 3.35Å; A146-I150 PolarHBondContact O-N 3.11Å; A146-F163 HydrophobicContact CB-CZ 4.36Å; A146-I339 HydrophobicContact CB-CG2 3.6Å; A146-A343 HydrophobicContact CB-CB 3.64Å
147R98.4Very high97.9Very high10 Ų1054.5 Ų54.54%0.03828%0.281CS..Hα-helixtrans-65.4-41.1176.7-160.3-174.9-56-73.6-5.2112L143 E144 M145 I150 G151 Y158 I161 F163 E326L143-R147 PolarHBondContact O-N 2.89Å; E144-R147 WeakPolarHBondContact O-CB 3.34Å; E144-R147 PolarHBondContact O-N 2.8Å; E144-R147 VanDerWaalsContact O-N 3.14Å; E144-R147 IonicContact OE2-NE 3.64Å; M145-R147 VanDerWaalsContact C-N 3.29Å; M145-R147 PolarHBondContact O-N 3.39Å; R147-I150 PolarHBondContact O-N 3.48Å; R147-G151 PolarHBondContact O-N 3.28Å; R147-Y158 WeakPolarHBondContact CD-O 3.35Å; R147-Y158 WeakPolarHBondContact CG-O 3.27Å; R147-I161 HydrophobicContact CG-CB 3.88Å; R147-I161 HydrophobicContact CG-CG2 4.27Å; R147-I161 PolarHBondContact NH1-O 3.32Å; R147-F163 HydrophobicContact CB-CE2 3.97Å; R147-F163 HydrophobicContact CB-CZ 3.84Å; R147-F163 HydrophobicContact CG-CE2 4.26Å; R147-F163 HydrophobicContact CG-CZ 4.16Å; R147-F163 VanDerWaalsContact CZ-CE2 3.48Å; R147-E326 IonicContact CZ-OE1 3.05Å; R147-E326 IonicContact CZ-OE2 2.76Å; R147-E326 IonicContact NH1-OE1 3.82Å; R147-E326 IonicContact NH1-OE2 3.36Å; R147-E326 PolarHBondContact NH1-OE2 3.22Å; R147-E326 IonicContact NH2-OE1 3.86Å; R147-E326 PolarHBondContact NH2-OE1 2.86Å; R147-E326 IonicContact NH2-OE2 3.93Å; R147-E326 PolarHBondContact NH2-OE2 3.37Å
148E98.4Very high97.9Very high128 Ų12853 Ų5360%0.59828%0.276SS*.Hα-helixtrans-62.9-44.9176.4-173-180-173.500111.9E144 M145 I150 G151 K152E144-E148 PolarHBondContact O-N 3.16Å; M145-E148 PolarHBondContact O-N 3.42Å; E148-I150 VanDerWaalsContact C-N 3.31Å; E148-I150 PolarHBondContact O-N 3.11Å; E148-G151 PolarHBondContact O-N 3.38Å; E148-K152 VanDerWaalsContact O-CB 3.27Å; E148-K152 WeakPolarHBondContact O-CB 3.46Å; E148-K152 PolarHBondContact O-N 3.24Å
149V98.5Very high97.9Very high47 Ų4751.1 Ų51.129%0.28527%0.267SS..Hα-helixtrans-56.8-46.7176.21690000110.9M145 A146 S153 A343 V346 E347M145-V149 WeakPolarHBondContact O-CG2 3.4Å; M145-V149 PolarHBondContact O-N 3.15Å; A146-V149 PolarHBondContact O-N 3.05Å; V149-S153 PolarHBondContact O-N 2.67Å; V149-A343 HydrophobicContact CB-CB 4.34Å; V149-A343 HydrophobicContact CG1-CB 4.31Å; V149-A343 WeakPolarHBondContact CG1-O 3.31Å; V149-V346 HydrophobicContact CG1-CB 4.48Å; V149-V346 HydrophobicContact CG1-CG1 4.28Å; V149-E347 HydrophobicContact CG1-CB 4.19Å
150I98.6Very high97.9Very high0 Ų051.2 Ų51.20%027%0.268CS..Hα-helixtrans-69.3-46-179.5-70164.1000111.2A146 R147 E148 K152 S153 L154 I161 F163 F307 M342 A343 V346A146-I150 WeakPolarHBondContact O-CG1 3.35Å; A146-I150 PolarHBondContact O-N 3.11Å; R147-I150 PolarHBondContact O-N 3.48Å; E148-I150 VanDerWaalsContact C-N 3.31Å; E148-I150 PolarHBondContact O-N 3.11Å; I150-K152 VanDerWaalsContact C-N 3.32Å; I150-K152 PolarHBondContact O-N 2.91Å; I150-S153 PolarHBondContact O-N 3.16Å; I150-S153 VanDerWaalsContact O-N 3.16Å; I150-S153 PolarHBondContact O-OG 3.4Å; I150-L154 PolarHBondContact O-N 2.82Å; I150-I161 HydrophobicContact CG2-CD1 3.96Å; I150-I161 HydrophobicContact CG2-CG1 4.06Å; I150-I161 HydrophobicContact CG2-CG2 3.91Å; I150-F163 HydrophobicContact CD1-CE1 3.6Å; I150-F163 HydrophobicContact CD1-CZ 4.24Å; I150-F307 HydrophobicContact CD1-CD1 4.14Å; I150-F307 HydrophobicContact CD1-CE1 4.44Å; I150-F307 HydrophobicContact CG1-CE1 4.46Å; I150-F307 HydrophobicContact CG2-CD1 3.82Å; I150-F307 HydrophobicContact CG2-CD2 4.02Å; I150-F307 HydrophobicContact CG2-CE1 3.58Å; I150-F307 HydrophobicContact CG2-CE2 3.81Å; I150-F307 HydrophobicContact CG2-CG 4.03Å; I150-F307 HydrophobicContact CG2-CZ 3.56Å; I150-M342 HydrophobicContact CD1-CE 3.78Å; I150-M342 HydrophobicContact CD1-CG 4.31Å; I150-A343 HydrophobicContact CD1-CB 4.47Å; I150-V346 HydrophobicContact CG1-CB 4.37Å; I150-V346 HydrophobicContact CG1-CG1 4.3Å; I150-V346 HydrophobicContact CG1-CG2 4.06Å
151G98.4Very high98Very high1 Ų149.6 Ų49.61%0.0125%0.254CS..Hα-helixtrans-56.4-46.5175.700000112R147 E148 S153 L154 G155 V156R147-G151 PolarHBondContact O-N 3.28Å; E148-G151 PolarHBondContact O-N 3.38Å; G151-S153 VanDerWaalsContact C-N 3.35Å; G151-S153 PolarHBondContact O-N 2.91Å; G151-L154 CarbonylContact O-C 3.57Å; G151-L154 PolarHBondContact O-N 3.39Å; G151-G155 PolarHBondContact O-N 2.76Å; G151-V156 CarbonylContact C-O 3.55Å; G151-V156 PolarHBondContact O-N 2.86Å
152K98.2Very high98.1Very high166 Ų16648.6 Ų48.672%0.72224%0.241SC*.Hα-helixtrans-60.5-42176.5-175.5180178.7-176.60112.4E148 I150 L154 G155E148-K152 VanDerWaalsContact O-CB 3.27Å; E148-K152 WeakPolarHBondContact O-CB 3.46Å; E148-K152 PolarHBondContact O-N 3.24Å; I150-K152 VanDerWaalsContact C-N 3.32Å; I150-K152 PolarHBondContact O-N 2.91Å; K152-L154 PolarHBondContact O-N 3.38Å; K152-G155 PolarHBondContact O-N 3.2Å; K152-G155 VanDerWaalsContact O-N 3.09Å
153S97.9Very high98.1Very high33 Ų3345.6 Ų45.623%0.23123%0.228CC..Hα-helixtrans-62.5-26.6180750000113.4V149 I150 G151 Y277 R283 V346V149-S153 PolarHBondContact O-N 2.67Å; I150-S153 PolarHBondContact O-N 3.16Å; I150-S153 VanDerWaalsContact O-N 3.16Å; I150-S153 PolarHBondContact O-OG 3.4Å; G151-S153 VanDerWaalsContact C-N 3.35Å; G151-S153 PolarHBondContact O-N 2.91Å; S153-Y277 PolarHBondContact OG-OH 2.92Å; S153-R283 PolarHBondContact O-NH1 2.72Å; S153-V346 VanDerWaalsContact CB-CG1 3.43Å; S153-V346 VanDerWaalsContact OG-CG1 3.32Å; S153-V346 WeakPolarHBondContact OG-CG1 3.3Å
154L98.2Very high98.2Very high1 Ų145.5 Ų45.51%0.00523%0.227CC..Hα-helixtrans-97.8-7.9175.3-75.1174000113.8I150 G151 K152 V156 I161 Y277 I282 R283 P284 L292 F307 F309I150-L154 PolarHBondContact O-N 2.82Å; G151-L154 CarbonylContact O-C 3.57Å; G151-L154 PolarHBondContact O-N 3.39Å; K152-L154 PolarHBondContact O-N 3.38Å; L154-V156 VanDerWaalsContact C-N 3.34Å; L154-V156 HydrophobicContact CB-CG1 4.06Å; L154-V156 HydrophobicContact CB-CG2 3.88Å; L154-I161 HydrophobicContact CD1-CD1 4.08Å; L154-Y277 HydrophobicContact CD2-CD2 4.25Å; L154-Y277 HydrophobicContact CD2-CE2 3.62Å; L154-Y277 HydrophobicContact CG-CE2 4.06Å; L154-I282 HydrophobicContact CD2-CB 4.2Å; L154-I282 HydrophobicContact CD2-CG2 4.33Å; L154-R283 WeakPolarHBondContact O-CD 3.41Å; L154-R283 PolarHBondContact O-NH1 2.89Å; L154-P284 HydrophobicContact CB-CG 4.35Å; L154-P284 HydrophobicContact CD1-CG 4.46Å; L154-P284 HydrophobicContact CD2-CG 3.99Å; L154-P284 VanDerWaalsContact O-CD 3.28Å; L154-P284 WeakPolarHBondContact O-CD 3.28Å; L154-L292 HydrophobicContact CD1-CD2 4.33Å; L154-F307 HydrophobicContact CD1-CE2 3.66Å; L154-F307 HydrophobicContact CD1-CZ 4.05Å; L154-F309 HydrophobicContact CD1-CB 4.31Å
155G98.1Very high98.2Very high48 Ų4844.4 Ų44.450%0.49523%0.228SC..THydrogen-bonded Turntrans68.330.9-17400000113.6G151 K152G151-G155 PolarHBondContact O-N 2.76Å; K152-G155 PolarHBondContact O-N 3.2Å; K152-G155 VanDerWaalsContact O-N 3.09Å
156V98.6Very high98.2Very high17 Ų1739.2 Ų39.210%0.10320%0.204CC..SBendtrans-119.6167.7-176.6-55.10000110.9G151 L154 I161 P284 F309G151-V156 CarbonylContact C-O 3.55Å; G151-V156 PolarHBondContact O-N 2.86Å; L154-V156 VanDerWaalsContact C-N 3.34Å; L154-V156 HydrophobicContact CB-CG1 4.06Å; L154-V156 HydrophobicContact CB-CG2 3.88Å; V156-I161 HydrophobicContact CG2-CD1 3.83Å; V156-I161 HydrophobicContact CG2-CG1 4.43Å; V156-P284 HydrophobicContact CG1-CB 4.41Å; V156-P284 HydrophobicContact CG1-CG 4.08Å; V156-F309 HydrophobicContact CB-CD2 4.16Å; V156-F309 HydrophobicContact CB-CE2 3.84Å; V156-F309 HydrophobicContact CG1-CD2 3.97Å; V156-F309 HydrophobicContact CG1-CE2 3.54Å; V156-F309 HydrophobicContact CG1-CZ 4.21Å; V156-F309 HydrophobicContact CG2-CD2 3.94Å; V156-F309 HydrophobicContact CG2-CE2 4.15Å
157K98.3Very high98.1Very high111 Ų11139.4 Ų39.448%0.48321%0.206SC..  trans-73.2146.2177.2-56.2174.7-165161.60109.4H159 E160 D312K157-H159 WeakPolarHBondContact CD-CE1 3.21Å; K157-H159 PolarHBondContact O-N 3.4Å; K157-E160 HydrophobicContact CB-CG 4.2Å; K157-E160 PolarHBondContact N-OE2 3.34Å; K157-E160 WeakPolarHBondContact O-CB 3.43Å; K157-E160 PolarHBondContact O-N 3.08Å; K157-D312 IonicContact NZ-OD2 2.74Å; K157-D312 PolarHBondContact NZ-OD2 2.64Å
158Y95.9Very high98.1Very high115 Ų11542.8 Ų42.845%0.45123%0.229SC..G310 helixtrans-55.6-40.6-178.663.6-92.3000111.8E144 R147 E160 I161E144-Y158 WeakPolarHBondContact OE1-CD2 3.48Å; E144-Y158 WeakPolarHBondContact OE1-CE2 3.21Å; R147-Y158 WeakPolarHBondContact CD-O 3.35Å; R147-Y158 WeakPolarHBondContact CG-O 3.27Å; Y158-E160 PolarHBondContact O-N 3.02Å; Y158-E160 VanDerWaalsContact O-N 3.15Å; Y158-I161 WeakPolarHBondContact O-CB 3.37Å; Y158-I161 PolarHBondContact O-N 2.93Å
159H96.7Very high98.1Very high53 Ų5337.7 Ų37.725%0.24521%0.205CC..G310 helixtrans-69.3-12.4-178.270.8-101.2000113.6K157 I161 D312 R329K157-H159 WeakPolarHBondContact CD-CE1 3.21Å; K157-H159 PolarHBondContact O-N 3.4Å; H159-I161 PolarHBondContact O-N 3.06Å; H159-D312 IonicContact CD2-OD1 2.74Å; H159-D312 PolarHBondContact CD2-OD1 3.29Å; H159-D312 IonicContact CE1-OD1 3.24Å; H159-D312 IonicContact CE1-OD2 3.38Å; H159-D312 IonicContact NE2-OD1 3.33Å; H159-D312 PolarHBondContact NE2-OD1 2.88Å; H159-D312 IonicContact NE2-OD2 3.92Å; H159-D312 PolarHBondContact NE2-OD2 2.79Å; H159-R329 PolarHBondContact O-NH1 2.82Å; H159-R329 PolarHBondContact O-NH2 2.8Å
160E98.4Very high98.1Very high2 Ų235.5 Ų35.51%0.00919%0.191CC..G310 helixtrans-77.5-4.6172.7-64.1-177.1108.900112.3K157 Y158 H285 F309 K310 S311 D312K157-E160 HydrophobicContact CB-CG 4.2Å; K157-E160 PolarHBondContact N-OE2 3.34Å; K157-E160 WeakPolarHBondContact O-CB 3.43Å; K157-E160 PolarHBondContact O-N 3.08Å; Y158-E160 PolarHBondContact O-N 3.02Å; Y158-E160 VanDerWaalsContact O-N 3.15Å; E160-H285 IonicContact OE1-CE1 3.45Å; E160-H285 PolarHBondContact OE1-CE1 3.09Å; E160-H285 IonicContact OE1-NE2 3.41Å; E160-H285 PolarHBondContact OE1-NE2 2.94Å; E160-H285 IonicContact OE2-CE1 3.89Å; E160-H285 IonicContact OE2-NE2 2.72Å; E160-H285 PolarHBondContact OE2-NE2 3.42Å; E160-F309 HydrophobicContact CB-CD2 3.89Å; E160-F309 HydrophobicContact CB-CE2 3.76Å; E160-F309 HydrophobicContact CG-CE2 4.38Å; E160-F309 CarbonylContact O-C 3.51Å; E160-F309 WeakPolarHBondContact O-CA 3.43Å; E160-K310 VanDerWaalsContact CB-O 3.3Å; E160-K310 WeakPolarHBondContact CB-O 3.24Å; E160-K310 PolarHBondContact O-N 3.31Å; E160-S311 WeakPolarHBondContact OE1-CA 3.24Å; E160-D312 PolarHBondContact OE1-N 2.93Å
161I98.7Very high98.1Very high0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-98.5129.3176.9-54-56.2000110R147 I150 L154 V156 Y158 H159 F163 F307 F309R147-I161 HydrophobicContact CG-CB 3.88Å; R147-I161 HydrophobicContact CG-CG2 4.27Å; R147-I161 PolarHBondContact NH1-O 3.32Å; I150-I161 HydrophobicContact CG2-CD1 3.96Å; I150-I161 HydrophobicContact CG2-CG1 4.06Å; I150-I161 HydrophobicContact CG2-CG2 3.91Å; L154-I161 HydrophobicContact CD1-CD1 4.08Å; V156-I161 HydrophobicContact CG2-CD1 3.83Å; V156-I161 HydrophobicContact CG2-CG1 4.43Å; Y158-I161 WeakPolarHBondContact O-CB 3.37Å; Y158-I161 PolarHBondContact O-N 2.93Å; H159-I161 PolarHBondContact O-N 3.06Å; I161-F163 HydrophobicContact CG2-CD1 4.37Å; I161-F163 HydrophobicContact CG2-CE1 4.01Å; I161-F163 HydrophobicContact CG2-CZ 4.46Å; I161-F307 HydrophobicContact CD1-CD2 4.32Å; I161-F307 HydrophobicContact CD1-CE2 4.41Å; I161-F307 HydrophobicContact CG2-CB 3.9Å; I161-F307 HydrophobicContact CG2-CD2 4.17Å; I161-F307 HydrophobicContact CG2-CG 4.16Å; I161-F309 HydrophobicContact CD1-CB 4.3Å; I161-F309 HydrophobicContact CD1-CD2 4.43Å
162I98.5Very high98.2Very high11 Ų1137 Ų376%0.05620%0.199CC..EExtended strand (participates in β ladder)trans-118.1119.5173.8-56.9166.1000108.4F307 L308 K310 E326 R329 R330I162-F307 CarbonylContact O-C 3.3Å; I162-F307 WeakPolarHBondContact O-CA 3.09Å; I162-F307 WeakPolarHBondContact O-CB 3.3Å; I162-L308 HydrophobicContact CB-CB 4.46Å; I162-L308 PolarHBondContact N-O 3.46Å; I162-L308 PolarHBondContact O-N 3.32Å; I162-K310 HydrophobicContact CD1-CB 4.02Å; I162-E326 HydrophobicContact CG2-CB 4.38Å; I162-R329 HydrophobicContact CD1-CB 4.18Å; I162-R329 HydrophobicContact CG1-CB 4.41Å; I162-R329 HydrophobicContact CG2-CB 4.31Å; I162-R330 HydrophobicContact CG2-CB 4.07Å
163F98.7Very high98.2Very high5 Ų529.7 Ų29.72%0.02217%0.169CC..EExtended strand (participates in β ladder)trans-76.3139.5174.8-62.3-52.6000111.7L143 A146 R147 I150 I161 F307 E326 I339 M342L143-F163 HydrophobicContact CD1-CD2 3.67Å; L143-F163 HydrophobicContact CD1-CE2 3.63Å; L143-F163 HydrophobicContact CG-CE2 4.28Å; A146-F163 HydrophobicContact CB-CZ 4.36Å; R147-F163 HydrophobicContact CB-CE2 3.97Å; R147-F163 HydrophobicContact CB-CZ 3.84Å; R147-F163 HydrophobicContact CG-CE2 4.26Å; R147-F163 HydrophobicContact CG-CZ 4.16Å; R147-F163 VanDerWaalsContact CZ-CE2 3.48Å; I150-F163 HydrophobicContact CD1-CE1 3.6Å; I150-F163 HydrophobicContact CD1-CZ 4.24Å; I161-F163 HydrophobicContact CG2-CD1 4.37Å; I161-F163 HydrophobicContact CG2-CE1 4.01Å; I161-F163 HydrophobicContact CG2-CZ 4.46Å; F163-F307 HydrophobicContact CD1-CB 4.09Å; F163-E326 HydrophobicContact CB-CG 4.45Å; F163-E326 PolarHBondContact N-OE2 3.45Å; F163-I339 HydrophobicContact CB-CD1 3.85Å; F163-I339 HydrophobicContact CB-CG1 4.23Å; F163-I339 HydrophobicContact CD1-CG1 4.23Å; F163-I339 HydrophobicContact CD1-CG2 4.1Å; F163-I339 HydrophobicContact CD2-CD1 3.82Å; F163-I339 HydrophobicContact CD2-CG1 4.32Å; F163-I339 HydrophobicContact CD2-CG2 4.02Å; F163-I339 HydrophobicContact CE1-CG2 3.79Å; F163-I339 HydrophobicContact CE2-CG2 3.67Å; F163-I339 HydrophobicContact CG-CD1 3.82Å; F163-I339 HydrophobicContact CG-CG1 4.01Å; F163-I339 HydrophobicContact CG-CG2 4.22Å; F163-I339 HydrophobicContact CZ-CG2 3.54Å; F163-M342 HydrophobicContact CD1-CE 3.66Å; F163-M342 HydrophobicContact CE1-CE 3.79Å
164N98.4Very high98.2Very high11 Ų1128.1 Ų28.16%0.05916%0.158CC..EExtended strand (participates in β ladder)trans-147.4-172.8-178.56630000110.5G166 E169 G170 V305 G306 F307N164-G166 PolarHBondContact OD1-N 3.44Å; N164-G166 PolarHBondContact OD1-O 3.01Å; N164-G166 VanDerWaalsContact OD1-O 3.08Å; N164-E169 HydrophobicContact CB-CB 4.22Å; N164-E169 HydrophobicContact CB-CG 3.98Å; N164-E169 WeakPolarHBondContact CB-OE1 3.18Å; N164-G170 WeakPolarHBondContact ND2-CA 3.24Å; N164-G170 PolarHBondContact ND2-N 3Å; N164-V305 WeakPolarHBondContact O-CA 3.41Å; N164-G306 PolarHBondContact N-O 3.48Å; N164-G306 PolarHBondContact O-N 2.87Å; N164-G306 WeakPolarHBondContact OD1-CA 3.33Å; N164-G306 PolarHBondContact OD1-O 3.35Å; N164-F307 PolarHBondContact OD1-N 3.43Å
165S98Very high98.3Very high54 Ų5428.1 Ų28.138%0.37816%0.157SC..SBendtrans-82.1-7.1-179.866.50000115.4E169 G304 V305S165-E169 WeakPolarHBondContact CB-OE2 3.35Å; S165-E169 PolarHBondContact N-OE2 2.93Å; S165-E169 PolarHBondContact OG-OE2 3.44Å; S165-G304 CarbonylContact O-C 3.52Å; S165-G304 WeakPolarHBondContact O-CA 3.32Å; S165-V305 PolarHBondContact O-N 2.98Å
166G98Very high98.3Very high6 Ų626.7 Ų26.76%0.06214%0.138CC..SBendtrans149.7-172.7-178.700000114.3N164 T168 E169 G170N164-G166 PolarHBondContact OD1-N 3.44Å; N164-G166 PolarHBondContact OD1-O 3.01Å; N164-G166 VanDerWaalsContact OD1-O 3.08Å; G166-T168 PolarHBondContact O-N 3.04Å; G166-E169 PolarHBondContact O-N 3.4Å; G166-G170 PolarHBondContact O-N 3.33Å; G166-G170 VanDerWaalsContact O-N 3.07Å
167G97.7Very high98.3Very high8 Ų827.2 Ų27.28%0.08214%0.14CC..Hα-helixtrans-55.3-48.7-178.200000112.5E169 G170 D171G167-E169 VanDerWaalsContact C-N 3.34Å; G167-E169 PolarHBondContact O-N 3.06Å; G167-G170 CarbonylContact O-C 3.52Å; G167-G170 WeakPolarHBondContact O-CA 3.37Å; G167-G170 PolarHBondContact O-N 2.86Å; G167-D171 VanDerWaalsContact O-CG 3.23Å; G167-D171 PolarHBondContact O-N 3.29Å
168T98.3Very high98.3Very high82 Ų8221.9 Ų21.950%0.50312%0.117SC..Hα-helixtrans-56.2-43.6179.2-530000113.5G166 N172 A198G166-T168 PolarHBondContact O-N 3.04Å; T168-N172 VanDerWaalsContact O-CB 3.27Å; T168-N172 WeakPolarHBondContact O-CB 3.47Å; T168-N172 PolarHBondContact O-N 3.34Å; T168-N172 PolarHBondContact O-ND2 3.29Å; T168-A198 HydrophobicContact CG2-CB 3.96Å
169E98.6Very high98.4Very high21 Ų2116.4 Ų16.410%0.09810%0.095CC..Hα-helixtrans-68.1-39.3177.3-171.7179147.200110.8N164 S165 G166 G167 T173 L319 R330N164-E169 HydrophobicContact CB-CB 4.22Å; N164-E169 HydrophobicContact CB-CG 3.98Å; N164-E169 WeakPolarHBondContact CB-OE1 3.18Å; S165-E169 WeakPolarHBondContact CB-OE2 3.35Å; S165-E169 PolarHBondContact N-OE2 2.93Å; S165-E169 PolarHBondContact OG-OE2 3.44Å; G166-E169 PolarHBondContact O-N 3.4Å; G167-E169 VanDerWaalsContact C-N 3.34Å; G167-E169 PolarHBondContact O-N 3.06Å; E169-T173 VanDerWaalsContact O-CB 3.3Å; E169-T173 WeakPolarHBondContact O-CB 3.45Å; E169-T173 PolarHBondContact O-N 2.84Å; E169-T173 PolarHBondContact O-OG1 3.03Å; E169-L319 HydrophobicContact CG-CD2 4.49Å; E169-R330 WeakPolarHBondContact OE1-CG 3.29Å; E169-R330 IonicContact OE1-CZ 2.72Å; E169-R330 IonicContact OE1-NE 3.46Å; E169-R330 PolarHBondContact OE1-NE 3.5Å; E169-R330 IonicContact OE1-NH2 3.58Å; E169-R330 PolarHBondContact OE1-NH2 3.4Å; E169-R330 IonicContact OE2-NE 3.75Å; E169-R330 IonicContact OE2-NH2 3.67Å; E169-R330 PolarHBondContact OE2-NH2 3.21Å
170G98.7Very high98.5Very high0 Ų016.8 Ų16.80%010%0.096CC..Hα-helixtrans-58.4-55.5173.800000112.5N164 G166 G167 N172 T173 A174N164-G170 WeakPolarHBondContact ND2-CA 3.24Å; N164-G170 PolarHBondContact ND2-N 3Å; G166-G170 PolarHBondContact O-N 3.33Å; G166-G170 VanDerWaalsContact O-N 3.07Å; G167-G170 CarbonylContact O-C 3.52Å; G167-G170 WeakPolarHBondContact O-CA 3.37Å; G167-G170 PolarHBondContact O-N 2.86Å; G170-N172 VanDerWaalsContact C-N 3.33Å; G170-N172 PolarHBondContact O-N 3.17Å; G170-T173 PolarHBondContact O-N 3.45Å; G170-A174 WeakPolarHBondContact O-CB 3.3Å; G170-A174 PolarHBondContact O-N 3.29Å
171D98.9Very high98.5Very high1 Ų119.6 Ų19.61%0.00512%0.116CC..Hα-helixtrans-58.3-46.5-180-60.5-31.2000110.8G167 T173 A174 I175 A198 V199 H270 S293G167-D171 VanDerWaalsContact O-CG 3.23Å; G167-D171 PolarHBondContact O-N 3.29Å; D171-T173 PolarHBondContact O-N 2.78Å; D171-A174 PolarHBondContact O-N 3.49Å; D171-I175 HydrophobicContact CB-CD1 4.41Å; D171-I175 VanDerWaalsContact O-CB 3.28Å; D171-I175 WeakPolarHBondContact O-CB 3.32Å; D171-I175 WeakPolarHBondContact O-CD1 3.41Å; D171-I175 WeakPolarHBondContact O-CG1 3.47Å; D171-I175 PolarHBondContact O-N 3.41Å; D171-A198 HydrophobicContact CB-CB 4.3Å; D171-A198 WeakPolarHBondContact OD2-CB 3.44Å; D171-V199 HydrophobicContact CB-CG2 4.06Å; D171-H270 IonicContact OD1-CE1 3.46Å; D171-H270 PolarHBondContact OD1-CE1 3.03Å; D171-H270 IonicContact OD1-NE2 3.68Å; D171-H270 PolarHBondContact OD1-NE2 2.82Å; D171-S293 PolarHBondContact N-OG 3Å; D171-S293 VanDerWaalsContact N-OG 3.11Å; D171-S293 WeakPolarHBondContact OD1-CB 3.42Å; D171-S293 PolarHBondContact OD1-OG 3.28Å; D171-S293 VanDerWaalsContact OD1-OG 3.05Å
172N98.8Very high98.5Very high32 Ų3220.7 Ų20.717%0.17112%0.12CC..Hα-helixtrans-67-40.1-178.9-83.3-103.4000111.7T168 G170 L176 A198 T202 L319T168-N172 VanDerWaalsContact O-CB 3.27Å; T168-N172 WeakPolarHBondContact O-CB 3.47Å; T168-N172 PolarHBondContact O-N 3.34Å; T168-N172 PolarHBondContact O-ND2 3.29Å; G170-N172 VanDerWaalsContact C-N 3.33Å; G170-N172 PolarHBondContact O-N 3.17Å; N172-L176 HydrophobicContact CB-CD1 4.18Å; N172-L176 WeakPolarHBondContact O-CB 3.45Å; N172-L176 VanDerWaalsContact O-CG 3.26Å; N172-L176 WeakPolarHBondContact O-CG 3.45Å; N172-L176 PolarHBondContact O-N 2.84Å; N172-A198 PolarHBondContact ND2-O 2.67Å; N172-A198 VanDerWaalsContact ND2-O 3.14Å; N172-T202 VanDerWaalsContact CG-OG1 3.26Å; N172-T202 PolarHBondContact ND2-OG1 2.77Å; N172-T202 PolarHBondContact OD1-OG1 3.37Å; N172-L319 HydrophobicContact CB-CD2 4.21Å
173T98.7Very high98.4Very high13 Ų1323.3 Ų23.38%0.0813%0.132CC..Iπ-helixtrans-62.9-50.8175.9-54.30000109.9E169 G170 D171 I175 E177 L308 L316 L319E169-T173 VanDerWaalsContact O-CB 3.3Å; E169-T173 WeakPolarHBondContact O-CB 3.45Å; E169-T173 PolarHBondContact O-N 2.84Å; E169-T173 PolarHBondContact O-OG1 3.03Å; G170-T173 PolarHBondContact O-N 3.45Å; D171-T173 PolarHBondContact O-N 2.78Å; T173-I175 VanDerWaalsContact C-N 3.34Å; T173-I175 PolarHBondContact O-N 3.1Å; T173-E177 HydrophobicContact CG2-CG 4.33Å; T173-E177 VanDerWaalsContact O-CB 3.24Å; T173-E177 WeakPolarHBondContact O-CB 3.36Å; T173-E177 WeakPolarHBondContact O-CG 3.43Å; T173-E177 PolarHBondContact O-N 2.94Å; T173-E177 VanDerWaalsContact O-N 3.16Å; T173-L308 HydrophobicContact CG2-CD2 4.17Å; T173-L316 HydrophobicContact CG2-CD2 3.99Å; T173-L316 HydrophobicContact CG2-CG 4.37Å; T173-L319 HydrophobicContact CG2-CB 4.06Å; T173-L319 WeakPolarHBondContact OG1-CD2 3.48Å
174A98.8Very high98.4Very high0 Ų031.3 Ų31.30%017%0.169CC..Iπ-helixtrans-59.9-43.3-179.400000112.2G170 D171 T178 H270 F291 L308G170-A174 WeakPolarHBondContact O-CB 3.3Å; G170-A174 PolarHBondContact O-N 3.29Å; D171-A174 PolarHBondContact O-N 3.49Å; A174-T178 WeakPolarHBondContact O-CB 3.25Å; A174-T178 PolarHBondContact O-N 3.07Å; A174-T178 PolarHBondContact O-OG1 3.34Å; A174-H270 VanDerWaalsContact CB-CD2 3.44Å; A174-H270 WeakPolarHBondContact CB-CD2 3.38Å; A174-F291 HydrophobicContact CB-CB 3.9Å; A174-F291 HydrophobicContact CB-CD2 4.27Å; A174-F291 HydrophobicContact CB-CG 4.06Å; A174-L308 HydrophobicContact CB-CD1 4.19Å; A174-L308 HydrophobicContact CB-CD2 4.47Å
175I98.9Very high98.3Very high0 Ų036.1 Ų36.10%019%0.192CC..Iπ-helixtrans-78.8-54-175.3-65.9163.3000111.8D171 T173 A179 L189 V199 T202 M203 L206 L239D171-I175 HydrophobicContact CB-CD1 4.41Å; D171-I175 VanDerWaalsContact O-CB 3.28Å; D171-I175 WeakPolarHBondContact O-CB 3.32Å; D171-I175 WeakPolarHBondContact O-CD1 3.41Å; D171-I175 WeakPolarHBondContact O-CG1 3.47Å; D171-I175 PolarHBondContact O-N 3.41Å; T173-I175 VanDerWaalsContact C-N 3.34Å; T173-I175 PolarHBondContact O-N 3.1Å; I175-A179 VanDerWaalsContact O-CB 3.3Å; I175-A179 WeakPolarHBondContact O-CB 3.46Å; I175-A179 PolarHBondContact O-N 3.33Å; I175-L189 HydrophobicContact CG2-CD2 4.46Å; I175-V199 HydrophobicContact CD1-CB 4.11Å; I175-V199 HydrophobicContact CD1-CG1 3.82Å; I175-V199 HydrophobicContact CD1-CG2 3.94Å; I175-T202 HydrophobicContact CB-CG2 4.04Å; I175-T202 HydrophobicContact CG2-CG2 3.69Å; I175-M203 HydrophobicContact CD1-CE 4.02Å; I175-M203 HydrophobicContact CG1-CE 4.07Å; I175-M203 HydrophobicContact CG2-CE 3.88Å; I175-M203 HydrophobicContact CG2-SD 4.07Å; I175-L206 HydrophobicContact CG2-CD1 3.58Å; I175-L239 HydrophobicContact CB-CD2 4.25Å; I175-L239 HydrophobicContact CG1-CD2 3.98Å; I175-L239 HydrophobicContact CG2-CD2 4.31Å
176L98.8Very high98.3Very high18 Ų1833.9 Ų33.99%0.09418%0.177CC..Iπ-helixtrans-67.1-47.1-173.7-64.2175000111.4N172 T178 A179 F180 T202 Y205 L206 L319N172-L176 HydrophobicContact CB-CD1 4.18Å; N172-L176 WeakPolarHBondContact O-CB 3.45Å; N172-L176 VanDerWaalsContact O-CG 3.26Å; N172-L176 WeakPolarHBondContact O-CG 3.45Å; N172-L176 PolarHBondContact O-N 2.84Å; L176-T178 VanDerWaalsContact C-N 3.34Å; L176-T178 PolarHBondContact O-N 3.47Å; L176-A179 PolarHBondContact O-N 2.92Å; L176-F180 HydrophobicContact CB-CD2 4.34Å; L176-F180 HydrophobicContact CB-CE2 4.32Å; L176-F180 HydrophobicContact CD2-CE2 4.21Å; L176-F180 WeakPolarHBondContact O-CD2 3.18Å; L176-F180 PolarHBondContact O-N 2.91Å; L176-T202 HydrophobicContact CD1-CG2 4.35Å; L176-T202 HydrophobicContact CD2-CG2 3.55Å; L176-T202 HydrophobicContact CG-CG2 3.68Å; L176-Y205 HydrophobicContact CD2-CD1 3.7Å; L176-Y205 HydrophobicContact CD2-CE1 3.83Å; L176-L206 HydrophobicContact CD2-CD1 4.47Å; L176-L206 HydrophobicContact CD2-CD2 3.82Å; L176-L206 HydrophobicContact CD2-CG 4.01Å; L176-L319 HydrophobicContact CD1-CD1 3.95Å
177E98.5Very high98.3Very high28 Ų2837.3 Ų37.313%0.13119%0.188CC..Iπ-helixtrans-73.3-30.5-174.8-59.2-57.513700111.3T173 S181 L316 A317 L319T173-E177 HydrophobicContact CG2-CG 4.33Å; T173-E177 VanDerWaalsContact O-CB 3.24Å; T173-E177 WeakPolarHBondContact O-CB 3.36Å; T173-E177 WeakPolarHBondContact O-CG 3.43Å; T173-E177 PolarHBondContact O-N 2.94Å; T173-E177 VanDerWaalsContact O-N 3.16Å; E177-S181 WeakPolarHBondContact O-CB 3.42Å; E177-S181 PolarHBondContact O-N 3.47Å; E177-S181 VanDerWaalsContact O-N 3.08Å; E177-S181 PolarHBondContact O-OG 2.9Å; E177-L316 HydrophobicContact CB-CD1 3.8Å; E177-L316 HydrophobicContact CB-CG 4.44Å; E177-A317 HydrophobicContact CB-CB 4.28Å; E177-A317 WeakPolarHBondContact CG-O 3.47Å; E177-A317 WeakPolarHBondContact OE2-CB 3.45Å; E177-L319 HydrophobicContact CG-CB 4.28Å
178T98.7Very high98.4Very high0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-63.6-49.7167.5-63.20000110.9A174 L176 S181 R182 L239 Y268 F291A174-T178 WeakPolarHBondContact O-CB 3.25Å; A174-T178 PolarHBondContact O-N 3.07Å; A174-T178 PolarHBondContact O-OG1 3.34Å; L176-T178 VanDerWaalsContact C-N 3.34Å; L176-T178 PolarHBondContact O-N 3.47Å; T178-S181 PolarHBondContact O-OG 3.19Å; T178-R182 VanDerWaalsContact O-CB 3.31Å; T178-R182 WeakPolarHBondContact O-CB 3.47Å; T178-R182 PolarHBondContact O-N 2.99Å; T178-L239 HydrophobicContact CG2-CB 4Å; T178-L239 HydrophobicContact CG2-CD1 4.07Å; T178-L239 HydrophobicContact CG2-CD2 4.49Å; T178-L239 HydrophobicContact CG2-CG 4.4Å; T178-Y268 HydrophobicContact CG2-CD2 3.75Å; T178-Y268 HydrophobicContact CG2-CE2 4.5Å; T178-F291 VanDerWaalsContact OG1-CE2 3.3Å; T178-F291 WeakPolarHBondContact OG1-CE2 3.46Å
179A98.7Very high98.4Very high0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-58.2-53.8-178.200000111.7I175 L176 Q183 L189 L206 F211I175-A179 VanDerWaalsContact O-CB 3.3Å; I175-A179 WeakPolarHBondContact O-CB 3.46Å; I175-A179 PolarHBondContact O-N 3.33Å; L176-A179 PolarHBondContact O-N 2.92Å; A179-Q183 WeakPolarHBondContact O-CA 3.22Å; A179-Q183 WeakPolarHBondContact O-CB 3.47Å; A179-Q183 PolarHBondContact O-N 3.08Å; A179-L189 HydrophobicContact CB-CD2 4.27Å; A179-L206 HydrophobicContact CB-CD1 3.6Å; A179-L206 HydrophobicContact CB-CD2 3.69Å; A179-L206 HydrophobicContact CB-CG 4.31Å; A179-F211 VanDerWaalsContact C-CZ 3.47Å; A179-F211 HydrophobicContact CB-CD1 4.26Å; A179-F211 HydrophobicContact CB-CE1 3.76Å; A179-F211 HydrophobicContact CB-CE2 4.24Å; A179-F211 HydrophobicContact CB-CZ 3.75Å; A179-F211 VanDerWaalsContact O-CE1 3.27Å; A179-F211 WeakPolarHBondContact O-CE1 3.38Å; A179-F211 WeakPolarHBondContact O-CZ 3.21Å
180F98.6Very high98.4Very high61 Ų6132 Ų3227%0.26816%0.156SC..Hα-helixtrans-72.5-36.2-175.5-68.4-57.4000113.8L176 Q183 Y205 L206 Q209 F211L176-F180 HydrophobicContact CB-CD2 4.34Å; L176-F180 HydrophobicContact CB-CE2 4.32Å; L176-F180 HydrophobicContact CD2-CE2 4.21Å; L176-F180 WeakPolarHBondContact O-CD2 3.18Å; L176-F180 PolarHBondContact O-N 2.91Å; F180-Q183 WeakPolarHBondContact O-CG 3.41Å; F180-Q183 PolarHBondContact O-NE2 3.46Å; F180-Y205 HydrophobicContact CE2-CE1 4.36Å; F180-Y205 HydrophobicContact CZ-CE1 4.11Å; F180-L206 HydrophobicContact CE1-CD2 4.42Å; F180-L206 HydrophobicContact CE2-CD2 4.19Å; F180-L206 HydrophobicContact CZ-CD2 4Å; F180-Q209 HydrophobicContact CE1-CB 4.25Å; F180-Q209 HydrophobicContact CE1-CG 4.35Å; F180-Q209 HydrophobicContact CZ-CB 4.46Å; F180-Q209 HydrophobicContact CZ-CG 4.1Å; F180-F211 AromaticContact CD1-CE2 3.98Å; F180-F211 HydrophobicContact CD1-CE2 3.98Å; F180-F211 HydrophobicContact CD1-CZ 4.18Å; F180-F211 AromaticContact CE1-CE2 3.89Å; F180-F211 HydrophobicContact CE1-CE2 3.89Å
181S97.6Very high98.4Very high61 Ų6132 Ų3243%0.42716%0.156SC..Hα-helixtrans-72.7-32.5179.166.40000112.7E177 T178E177-S181 WeakPolarHBondContact O-CB 3.42Å; E177-S181 PolarHBondContact O-N 3.47Å; E177-S181 VanDerWaalsContact O-N 3.08Å; E177-S181 PolarHBondContact O-OG 2.9Å; T178-S181 PolarHBondContact O-OG 3.19Å
182R97.8Very high98.4Very high22 Ų2232 Ų328%0.08316%0.156CC..Hα-helixtrans-101.67-177.6-58.7173.565.856.22.3113.8T178 Q184 E185 G186 I238 P266 Y268T178-R182 VanDerWaalsContact O-CB 3.31Å; T178-R182 WeakPolarHBondContact O-CB 3.47Å; T178-R182 PolarHBondContact O-N 2.99Å; R182-Q184 PolarHBondContact O-N 3.13Å; R182-E185 IonicContact CZ-OE1 2.99Å; R182-E185 IonicContact CZ-OE2 2.76Å; R182-E185 IonicContact NH1-OE1 3.52Å; R182-E185 PolarHBondContact NH1-OE1 3.45Å; R182-E185 IonicContact NH1-OE2 3.56Å; R182-E185 PolarHBondContact NH1-OE2 2.92Å; R182-E185 IonicContact NH2-OE2 3.91Å; R182-E185 PolarHBondContact NH2-OE2 3.43Å; R182-E185 WeakPolarHBondContact O-CA 3.4Å; R182-E185 WeakPolarHBondContact O-CB 3.5Å; R182-E185 PolarHBondContact O-N 3.32Å; R182-G186 PolarHBondContact O-N 3.05Å; R182-I238 HydrophobicContact CB-CB 4.26Å; R182-I238 HydrophobicContact CB-CD1 4.13Å; R182-I238 HydrophobicContact CB-CG2 4.19Å; R182-P266 PolarHBondContact NH2-O 3.47Å; R182-Y268 VanDerWaalsContact CD-CE2 3.43Å
183Q97.8Very high98.4Very high67 Ų6733.9 Ų33.931%0.31316%0.163SC..THydrogen-bonded Turntrans-58.1-19.1-176.271.7-175.8-53.700115.2A179 F180 G186 F211A179-Q183 WeakPolarHBondContact O-CA 3.22Å; A179-Q183 WeakPolarHBondContact O-CB 3.47Å; A179-Q183 PolarHBondContact O-N 3.08Å; F180-Q183 WeakPolarHBondContact O-CG 3.41Å; F180-Q183 PolarHBondContact O-NE2 3.46Å; Q183-G186 CarbonylContact C-O 3.31Å; Q183-G186 VanDerWaalsContact CA-O 3.3Å; Q183-G186 WeakPolarHBondContact CA-O 3.32Å; Q183-F211 HydrophobicContact CB-CE1 4.02Å; Q183-F211 HydrophobicContact CB-CZ 3.83Å
184Q97.4Very high98.3Very high172 Ų17233.2 Ų33.280%0.80416%0.16SC*.THydrogen-bonded Turntrans-82-21.9175.8-59.1-58.9-3300112.7R182R182-Q184 PolarHBondContact O-N 3.13Å
185E97.4Very high98.3Very high112 Ų11233.2 Ų33.252%0.52316%0.16SC..THydrogen-bonded Turntrans-84.3-33.7175.1-60.6176.6-135.400110.9R182 I238R182-E185 IonicContact CZ-OE1 2.99Å; R182-E185 IonicContact CZ-OE2 2.76Å; R182-E185 IonicContact NH1-OE1 3.52Å; R182-E185 PolarHBondContact NH1-OE1 3.45Å; R182-E185 IonicContact NH1-OE2 3.56Å; R182-E185 PolarHBondContact NH1-OE2 2.92Å; R182-E185 IonicContact NH2-OE2 3.91Å; R182-E185 PolarHBondContact NH2-OE2 3.43Å; R182-E185 WeakPolarHBondContact O-CA 3.4Å; R182-E185 WeakPolarHBondContact O-CB 3.5Å; R182-E185 PolarHBondContact O-N 3.32Å; E185-I238 HydrophobicContact CB-CG2 4.26Å
186G98Very high98.1Very high8 Ų835.9 Ų35.98%0.08217%0.172CC..  trans179.5166.4177.300000111.5R182 Q183 D236 I238R182-G186 PolarHBondContact O-N 3.05Å; Q183-G186 CarbonylContact C-O 3.31Å; Q183-G186 VanDerWaalsContact CA-O 3.3Å; Q183-G186 WeakPolarHBondContact CA-O 3.32Å; G186-D236 WeakPolarHBondContact CA-O 3.26Å; G186-I238 WeakPolarHBondContact O-CD1 3.39Å
187R98.5Very high98Very high77 Ų7737.1 Ų37.129%0.29118%0.181SC..  trans-125.920.3-179-61.3-177.767.483.23.2112.2Q209 G210 F211 E212R187-Q209 PolarHBondContact NH2-O 2.67Å; R187-G210 PolarHBondContact NE-O 2.86Å; R187-G210 PolarHBondContact NH2-O 2.54Å; R187-F211 HydrophobicContact CB-CD1 3.91Å; R187-F211 HydrophobicContact CB-CE1 4.33Å; R187-F211 HydrophobicContact CG-CD1 4.4Å; R187-F211 HydrophobicContact CG-CE1 4.35Å; R187-F211 CarbonylContact O-C 3.57Å; R187-F211 WeakPolarHBondContact O-CA 3.44Å; R187-E212 PolarHBondContact O-N 3.25Å
188H98.8Very high97.9Very high0 Ų036.1 Ų36.10%018%0.178CC..EExtended strand (participates in β ladder)trans-107.4132.3-177.4-174.6-127000112E212 T214 S232 R234 T237 I238H188-E212 WeakPolarHBondContact CA-O 3.35Å; H188-E212 PolarHBondContact CD2-O 2.82Å; H188-T214 PolarHBondContact NE2-OG1 3.19Å; H188-S232 PolarHBondContact CE1-O 3.05Å; H188-S232 VanDerWaalsContact CE1-O 3.3Å; H188-R234 PolarHBondContact CD2-NH1 3.26Å; H188-R234 PolarHBondContact CD2-NH2 3.21Å; H188-R234 PolarHBondContact ND1-NE 3.44Å; H188-R234 PolarHBondContact NE2-NH1 2.95Å; H188-T237 PolarHBondContact ND1-OG1 3.44Å; H188-T237 WeakPolarHBondContact O-CA 3.26Å; H188-I238 VanDerWaalsContact O-CG1 3.31Å; H188-I238 WeakPolarHBondContact O-CG1 3.3Å; H188-I238 PolarHBondContact O-N 2.95Å
189L98.9Very high97.9Very high0 Ų036.1 Ų36.10%018%0.178CC..EExtended strand (participates in β ladder)trans-127.4149.5175.8-58.589.5000109.9I175 A179 M203 L206 F211 E212 V213 T214 I238 L239I175-L189 HydrophobicContact CG2-CD2 4.46Å; A179-L189 HydrophobicContact CB-CD2 4.27Å; L189-M203 HydrophobicContact CB-SD 4.23Å; L189-M203 HydrophobicContact CD2-CE 4.32Å; L189-M203 HydrophobicContact CD2-SD 4.01Å; L189-L206 HydrophobicContact CD2-CD1 3.79Å; L189-F211 HydrophobicContact CD1-CB 3.79Å; L189-F211 HydrophobicContact CD1-CD1 3.56Å; L189-F211 HydrophobicContact CD1-CE1 4.49Å; L189-F211 HydrophobicContact CD1-CG 3.96Å; L189-E212 PolarHBondContact N-O 3.04Å; L189-V213 HydrophobicContact CB-CG2 4.43Å; L189-V213 WeakPolarHBondContact O-CA 3.28Å; L189-T214 PolarHBondContact O-N 3.18Å; L189-I238 HydrophobicContact CG-CG1 4.4Å; L189-L239 WeakPolarHBondContact CA-O 3.44Å; L189-L239 HydrophobicContact CD2-CB 3.98Å; L189-L239 HydrophobicContact CD2-CD2 3.85Å; L189-L239 HydrophobicContact CD2-CG 4.46Å; L189-L239 HydrophobicContact CG-CB 4.2Å
190I98.9Very high97.8Very high0 Ų036.7 Ų36.70%018%0.181CC..EExtended strand (participates in β ladder)trans-120.2136.7175.3-55.7174.9000109.1T214 L216 L229 S232 L233 T237 L239 V240 S241I190-T214 WeakPolarHBondContact CA-O 3.26Å; I190-L216 HydrophobicContact CG2-CD1 3.82Å; I190-L216 HydrophobicContact CG2-CD2 4.08Å; I190-L216 HydrophobicContact CG2-CG 3.75Å; I190-L229 HydrophobicContact CD1-CD1 4.22Å; I190-L229 HydrophobicContact CG2-CD1 4.13Å; I190-S232 WeakPolarHBondContact CD1-O 3.38Å; I190-L233 HydrophobicContact CD1-CD2 3.83Å; I190-L233 HydrophobicContact CD1-CG 4.17Å; I190-T237 HydrophobicContact CD1-CG2 3.89Å; I190-T237 HydrophobicContact CG1-CG2 3.92Å; I190-L239 PolarHBondContact N-O 3.01Å; I190-V240 HydrophobicContact CB-CG1 4.45Å; I190-V240 HydrophobicContact CB-CG2 4.17Å; I190-V240 HydrophobicContact CD1-CG2 4.3Å; I190-V240 CarbonylContact O-C 3.54Å; I190-V240 WeakPolarHBondContact O-CA 3.42Å; I190-S241 PolarHBondContact O-N 3.25Å
191T98.8Very high97.8Very high0 Ų038.1 Ų38.10%019%0.191CC..EExtended strand (participates in β ladder)trans-149.8-173.2174.2-160.30000110.7E195 M203 V213 T214 Y215 L216 S241T191-E195 VanDerWaalsContact OG1-CG 3.23Å; T191-E195 WeakPolarHBondContact OG1-CG 3.45Å; T191-M203 HydrophobicContact CG2-CG 4.04Å; T191-V213 HydrophobicContact CG2-CG1 3.9Å; T191-T214 PolarHBondContact N-O 3.41Å; T191-Y215 HydrophobicContact CG2-CD1 3.44Å; T191-Y215 VanDerWaalsContact CG2-CD1 3.44Å; T191-Y215 HydrophobicContact CG2-CE1 3.68Å; T191-Y215 HydrophobicContact CG2-CG 4.26Å; T191-Y215 CarbonylContact O-C 3.47Å; T191-Y215 WeakPolarHBondContact O-CA 3.16Å; T191-L216 WeakPolarHBondContact O-CB 3.38Å; T191-L216 WeakPolarHBondContact O-CG 3.12Å; T191-L216 PolarHBondContact O-N 3.05Å; T191-S241 VanDerWaalsContact CA-O 3.26Å; T191-S241 WeakPolarHBondContact CA-O 3.05Å; T191-S241 WeakPolarHBondContact CB-O 3.32Å; T191-S241 PolarHBondContact OG1-O 3.24Å
192T98.6Very high97.8Very high0 Ų035.7 Ų35.70%017%0.173CC..EExtended strand (participates in β ladder)trans-107.9164.1175.877.30000112.9I194 E195 L216 I224 I242T192-I194 PolarHBondContact O-N 2.7Å; T192-I194 WeakPolarHBondContact OG1-CG1 3.42Å; T192-I194 PolarHBondContact OG1-N 3.45Å; T192-E195 WeakPolarHBondContact CB-OE1 3.48Å; T192-E195 WeakPolarHBondContact CG2-OE1 3.33Å; T192-E195 WeakPolarHBondContact OG1-CG 3.43Å; T192-E195 PolarHBondContact OG1-N 2.87Å; T192-E195 PolarHBondContact OG1-OE1 2.84Å; T192-L216 HydrophobicContact CG2-CB 4.5Å; T192-I224 HydrophobicContact CG2-CG2 3.7Å; T192-I242 HydrophobicContact CG2-CD1 3.43Å; T192-I242 VanDerWaalsContact CG2-CD1 3.43Å; T192-I242 HydrophobicContact CG2-CG2 4.03Å
193Q97.8Very high97.9Very high72 Ų7234.6 Ų34.634%0.33617%0.169SC..THydrogen-bonded Turntrans-71.5-11.9172-68.7176.2-7.900113.7L216 H431 A435Q193-L216 WeakPolarHBondContact CG-O 3.24Å; Q193-L216 PolarHBondContact N-O 3.13Å; Q193-H431 PolarHBondContact O-CD2 3.17Å; Q193-A435 HydrophobicContact CB-CB 3.74Å
194I97Very high97.9Very high0 Ų036.6 Ų36.60%018%0.177CC..THydrogen-bonded Turntrans-113.713.8-170.262162.1000113.7T192 V218 N246 M253 V432 A435T192-I194 PolarHBondContact O-N 2.7Å; T192-I194 WeakPolarHBondContact OG1-CG1 3.42Å; T192-I194 PolarHBondContact OG1-N 3.45Å; I194-V218 HydrophobicContact CD1-CG1 3.77Å; I194-V218 HydrophobicContact CG1-CG1 3.88Å; I194-V218 HydrophobicContact CG2-CB 4.46Å; I194-V218 HydrophobicContact CG2-CG1 3.98Å; I194-V218 HydrophobicContact CG2-CG2 3.67Å; I194-N246 HydrophobicContact CD1-CB 4.48Å; I194-N246 PolarHBondContact O-ND2 2.91Å; I194-M253 HydrophobicContact CD1-CE 3.92Å; I194-M253 HydrophobicContact CD1-SD 4.34Å; I194-V432 HydrophobicContact CB-CG1 4.17Å; I194-V432 HydrophobicContact CB-CG2 4.22Å; I194-V432 HydrophobicContact CG2-CB 4.42Å; I194-V432 HydrophobicContact CG2-CG1 3.99Å; I194-A435 HydrophobicContact CG2-CB 3.72Å
195E97.9Very high98Very high0 Ų033.3 Ų33.30%016%0.158CC..  trans-63.7164179.8-60.4-64.2138.300113.5T191 T192 V199 I200 I242 M243 H431T191-E195 VanDerWaalsContact OG1-CG 3.23Å; T191-E195 WeakPolarHBondContact OG1-CG 3.45Å; T192-E195 WeakPolarHBondContact CB-OE1 3.48Å; T192-E195 WeakPolarHBondContact CG2-OE1 3.33Å; T192-E195 WeakPolarHBondContact OG1-CG 3.43Å; T192-E195 PolarHBondContact OG1-N 2.87Å; T192-E195 PolarHBondContact OG1-OE1 2.84Å; E195-V199 HydrophobicContact CB-CB 3.88Å; E195-V199 HydrophobicContact CB-CG1 3.88Å; E195-V199 HydrophobicContact CG-CB 4.36Å; E195-V199 HydrophobicContact CG-CG1 3.82Å; E195-I200 HydrophobicContact CB-CD1 4.22Å; E195-I200 HydrophobicContact CB-CG1 3.61Å; E195-I200 VanDerWaalsContact O-CD1 3.26Å; E195-I200 WeakPolarHBondContact O-CD1 3.36Å; E195-I242 WeakPolarHBondContact OE1-CA 3.1Å; E195-M243 PolarHBondContact OE1-N 2.99Å; E195-M243 VanDerWaalsContact OE1-N 3.13Å; E195-M243 WeakPolarHBondContact OE2-CA 3.48Å; E195-M243 WeakPolarHBondContact OE2-CB 3.45Å; E195-M243 PolarHBondContact OE2-N 3.04Å; E195-H431 PolarHBondContact O-CE1 3.04Å; E195-H431 PolarHBondContact O-NE2 2.7Å
196H96.5Very high98.1Very high56 Ų5628 Ų2826%0.25913%0.133SC..  trans-62.6148169.8-176.2-106.1000110.8A198 V199 I200 M243H196-A198 WeakPolarHBondContact ND1-CB 3.37Å; H196-A198 PolarHBondContact ND1-N 2.66Å; H196-A198 PolarHBondContact O-N 3.13Å; H196-V199 PolarHBondContact O-N 3.41Å; H196-I200 PolarHBondContact O-N 3.14Å; H196-M243 HydrophobicContact CB-CE 4.45Å
197P95.3Very high98.1Very high43 Ų4331.4 Ų31.428%0.27915%0.147SC..Hα-helixtrans-54.5-26.4178.2-31.438000115.1V199 N201P197-V199 PolarHBondContact O-N 3.5Å; P197-N201 VanDerWaalsContact O-CB 3.24Å; P197-N201 WeakPolarHBondContact O-CB 3.47Å; P197-N201 PolarHBondContact O-N 2.96Å; P197-N201 PolarHBondContact O-ND2 3.41Å
198A96.9Very high98.1Very high8 Ų832.5 Ų32.57%0.06616%0.162CC..Hα-helixtrans-63.8-22.6173.600000113.8T168 D171 N172 H196 T202T168-A198 HydrophobicContact CG2-CB 3.96Å; D171-A198 HydrophobicContact CB-CB 4.3Å; D171-A198 WeakPolarHBondContact OD2-CB 3.44Å; N172-A198 PolarHBondContact ND2-O 2.67Å; N172-A198 VanDerWaalsContact ND2-O 3.14Å; H196-A198 WeakPolarHBondContact ND1-CB 3.37Å; H196-A198 PolarHBondContact ND1-N 2.66Å; H196-A198 PolarHBondContact O-N 3.13Å; A198-T202 WeakPolarHBondContact O-CB 3.34Å; A198-T202 PolarHBondContact O-OG1 3Å
199V98.7Very high98.1Very high0 Ų036.4 Ų36.40%018%0.18CC..Hα-helixtrans-97.2-52.8173.8174.90000109.6D171 I175 E195 H196 P197 N201 T202 M203D171-V199 HydrophobicContact CB-CG2 4.06Å; I175-V199 HydrophobicContact CD1-CB 4.11Å; I175-V199 HydrophobicContact CD1-CG1 3.82Å; I175-V199 HydrophobicContact CD1-CG2 3.94Å; E195-V199 HydrophobicContact CB-CB 3.88Å; E195-V199 HydrophobicContact CB-CG1 3.88Å; E195-V199 HydrophobicContact CG-CB 4.36Å; E195-V199 HydrophobicContact CG-CG1 3.82Å; H196-V199 PolarHBondContact O-N 3.41Å; P197-V199 PolarHBondContact O-N 3.5Å; V199-N201 PolarHBondContact O-N 2.87Å; V199-T202 PolarHBondContact O-N 2.87Å; V199-T202 VanDerWaalsContact O-N 3.14Å; V199-M203 HydrophobicContact CG1-CE 4.24Å; V199-M203 HydrophobicContact CG1-CG 4.21Å; V199-M203 VanDerWaalsContact O-CG 3.24Å; V199-M203 WeakPolarHBondContact O-CG 3.26Å; V199-M203 PolarHBondContact O-N 2.81Å
200I97.2Very high98.1Very high12 Ų1238.6 Ų38.66%0.06220%0.203CC..Hα-helixtrans-56.4-47.4-176.4-65.1-168.4000112E195 H196 T202 M203 K204 H431E195-I200 HydrophobicContact CB-CD1 4.22Å; E195-I200 HydrophobicContact CB-CG1 3.61Å; E195-I200 VanDerWaalsContact O-CD1 3.26Å; E195-I200 WeakPolarHBondContact O-CD1 3.36Å; H196-I200 PolarHBondContact O-N 3.14Å; I200-T202 VanDerWaalsContact C-N 3.31Å; I200-T202 PolarHBondContact O-N 3.05Å; I200-M203 PolarHBondContact O-N 2.86Å; I200-K204 HydrophobicContact CG2-CD 4.09Å; I200-K204 WeakPolarHBondContact O-CG 3.47Å; I200-K204 PolarHBondContact O-N 3.03Å; I200-H431 WeakPolarHBondContact CD1-CD2 3.33Å; I200-H431 VanDerWaalsContact CD1-NE2 3.35Å; I200-H431 WeakPolarHBondContact CD1-NE2 3.5Å
201N97.8Very high98.1Very high91 Ų9139.1 Ų39.149%0.48721%0.205SC..Hα-helixtrans-72.9-29.8-176.1-65.3-29000111.8P197 V199 Y205P197-N201 VanDerWaalsContact O-CB 3.24Å; P197-N201 WeakPolarHBondContact O-CB 3.47Å; P197-N201 PolarHBondContact O-N 2.96Å; P197-N201 PolarHBondContact O-ND2 3.41Å; V199-N201 PolarHBondContact O-N 2.87Å; N201-Y205 WeakPolarHBondContact O-CB 3.42Å; N201-Y205 PolarHBondContact O-N 3.24Å
202T98.7Very high98.1Very high9 Ų943.9 Ų43.96%0.05523%0.228CC..Hα-helixtrans-69.4-40.1174.2-59.50000111N172 I175 L176 A198 V199 I200 Y205 L206N172-T202 VanDerWaalsContact CG-OG1 3.26Å; N172-T202 PolarHBondContact ND2-OG1 2.77Å; N172-T202 PolarHBondContact OD1-OG1 3.37Å; I175-T202 HydrophobicContact CB-CG2 4.04Å; I175-T202 HydrophobicContact CG2-CG2 3.69Å; L176-T202 HydrophobicContact CD1-CG2 4.35Å; L176-T202 HydrophobicContact CD2-CG2 3.55Å; L176-T202 HydrophobicContact CG-CG2 3.68Å; A198-T202 WeakPolarHBondContact O-CB 3.34Å; A198-T202 PolarHBondContact O-OG1 3Å; V199-T202 PolarHBondContact O-N 2.87Å; V199-T202 VanDerWaalsContact O-N 3.14Å; I200-T202 VanDerWaalsContact C-N 3.31Å; I200-T202 PolarHBondContact O-N 3.05Å; T202-Y205 WeakPolarHBondContact O-CB 3.23Å; T202-Y205 PolarHBondContact O-N 3.18Å; T202-L206 WeakPolarHBondContact O-CG 3.35Å; T202-L206 PolarHBondContact O-N 2.84Å
203M98.8Very high98.1Very high0 Ų044.6 Ų44.60%023%0.232CC..Hα-helixtrans-62.8-47.2172.6-68-69.2-176.400111.6I175 L189 T191 V199 I200 Y205 L206 E207 V213 Y215 L239I175-M203 HydrophobicContact CD1-CE 4.02Å; I175-M203 HydrophobicContact CG1-CE 4.07Å; I175-M203 HydrophobicContact CG2-CE 3.88Å; I175-M203 HydrophobicContact CG2-SD 4.07Å; L189-M203 HydrophobicContact CB-SD 4.23Å; L189-M203 HydrophobicContact CD2-CE 4.32Å; L189-M203 HydrophobicContact CD2-SD 4.01Å; T191-M203 HydrophobicContact CG2-CG 4.04Å; V199-M203 HydrophobicContact CG1-CE 4.24Å; V199-M203 HydrophobicContact CG1-CG 4.21Å; V199-M203 VanDerWaalsContact O-CG 3.24Å; V199-M203 WeakPolarHBondContact O-CG 3.26Å; V199-M203 PolarHBondContact O-N 2.81Å; I200-M203 PolarHBondContact O-N 2.86Å; M203-Y205 VanDerWaalsContact C-N 3.27Å; M203-Y205 PolarHBondContact O-N 3.4Å; M203-L206 WeakPolarHBondContact O-CB 3.24Å; M203-L206 PolarHBondContact O-N 2.89Å; M203-E207 PolarHBondContact O-N 2.86Å; M203-V213 HydrophobicContact CB-CG1 4.14Å; M203-V213 HydrophobicContact CB-CG2 4.33Å; M203-V213 HydrophobicContact CG-CG1 4.39Å; M203-V213 HydrophobicContact SD-CG1 4.08Å; M203-V213 HydrophobicContact SD-CG2 4.26Å; M203-Y215 HydrophobicContact CB-CE1 4.13Å; M203-L239 HydrophobicContact CE-CD2 4.41Å
204K98.6Very high98.1Very high109 Ų10942.8 Ų42.847%0.47423%0.226SC..Hα-helixtrans-57.8-39.3173.2-72.8173.2-178.2168.20112.8I200 E207 T208 Y215I200-K204 HydrophobicContact CG2-CD 4.09Å; I200-K204 WeakPolarHBondContact O-CG 3.47Å; I200-K204 PolarHBondContact O-N 3.03Å; K204-E207 WeakPolarHBondContact CA-OE2 3.49Å; K204-E207 WeakPolarHBondContact O-CB 3.45Å; K204-E207 PolarHBondContact O-N 3.16Å; K204-T208 PolarHBondContact O-N 3.44Å; K204-Y215 PolarHBondContact N-OH 2.96Å
205Y98.8Very high98.2Very high103 Ų10345.4 Ų45.440%0.40424%0.236SC..Hα-helixtrans-62.5-46.2173.9166.3-105000111.1L176 F180 N201 T202 M203 E207 T208 Q209L176-Y205 HydrophobicContact CD2-CD1 3.7Å; L176-Y205 HydrophobicContact CD2-CE1 3.83Å; F180-Y205 HydrophobicContact CE2-CE1 4.36Å; F180-Y205 HydrophobicContact CZ-CE1 4.11Å; N201-Y205 WeakPolarHBondContact O-CB 3.42Å; N201-Y205 PolarHBondContact O-N 3.24Å; T202-Y205 WeakPolarHBondContact O-CB 3.23Å; T202-Y205 PolarHBondContact O-N 3.18Å; M203-Y205 VanDerWaalsContact C-N 3.27Å; M203-Y205 PolarHBondContact O-N 3.4Å; Y205-E207 VanDerWaalsContact C-N 3.27Å; Y205-E207 PolarHBondContact O-N 3.02Å; Y205-T208 WeakPolarHBondContact O-CA 3.04Å; Y205-T208 WeakPolarHBondContact O-CB 3.27Å; Y205-T208 PolarHBondContact O-N 3.07Å; Y205-T208 PolarHBondContact O-OG1 3.23Å; Y205-Q209 HydrophobicContact CD1-CG 4.45Å; Y205-Q209 HydrophobicContact CD2-CG 4.49Å; Y205-Q209 HydrophobicContact CE1-CG 3.93Å; Y205-Q209 HydrophobicContact CE2-CG 3.96Å; Y205-Q209 PolarHBondContact O-N 3.08Å
206L98.9Very high98.2Very high0 Ų045.5 Ų45.50%024%0.237CC..Hα-helixtrans-60.4-34.7176.9-72.8176.1000112.8I175 L176 A179 F180 L189 T202 M203 T208 Q209 G210 F211I175-L206 HydrophobicContact CG2-CD1 3.58Å; L176-L206 HydrophobicContact CD2-CD1 4.47Å; L176-L206 HydrophobicContact CD2-CD2 3.82Å; L176-L206 HydrophobicContact CD2-CG 4.01Å; A179-L206 HydrophobicContact CB-CD1 3.6Å; A179-L206 HydrophobicContact CB-CD2 3.69Å; A179-L206 HydrophobicContact CB-CG 4.31Å; F180-L206 HydrophobicContact CE1-CD2 4.42Å; F180-L206 HydrophobicContact CE2-CD2 4.19Å; F180-L206 HydrophobicContact CZ-CD2 4Å; L189-L206 HydrophobicContact CD2-CD1 3.79Å; T202-L206 WeakPolarHBondContact O-CG 3.35Å; T202-L206 PolarHBondContact O-N 2.84Å; M203-L206 WeakPolarHBondContact O-CB 3.24Å; M203-L206 PolarHBondContact O-N 2.89Å; L206-T208 VanDerWaalsContact C-N 3.27Å; L206-T208 PolarHBondContact O-N 3.27Å; L206-Q209 CarbonylContact O-C 3.58Å; L206-Q209 WeakPolarHBondContact O-CA 3.23Å; L206-Q209 WeakPolarHBondContact O-CB 3.27Å; L206-Q209 PolarHBondContact O-N 3.39Å; L206-G210 PolarHBondContact O-N 3.41Å; L206-F211 HydrophobicContact CB-CB 4.05Å; L206-F211 HydrophobicContact CB-CD2 4.03Å; L206-F211 HydrophobicContact CB-CG 4.24Å; L206-F211 HydrophobicContact CD2-CD2 3.8Å; L206-F211 HydrophobicContact CD2-CE2 3.88Å; L206-F211 HydrophobicContact CD2-CG 4.49Å; L206-F211 HydrophobicContact CG-CD2 4.47Å; L206-F211 WeakPolarHBondContact O-CB 3.45Å; L206-F211 WeakPolarHBondContact O-CD2 3.49Å; L206-F211 PolarHBondContact O-N 2.95Å
207E98.8Very high98.3Very high80 Ų8045.3 Ų45.337%0.37424%0.241SC..Hα-helixtrans-57-41.3171.5-65.9177.6101.200111.5M203 K204 Y205 Q209 G210 F211 V213 Y215M203-E207 PolarHBondContact O-N 2.86Å; K204-E207 WeakPolarHBondContact CA-OE2 3.49Å; K204-E207 WeakPolarHBondContact O-CB 3.45Å; K204-E207 PolarHBondContact O-N 3.16Å; Y205-E207 VanDerWaalsContact C-N 3.27Å; Y205-E207 PolarHBondContact O-N 3.02Å; E207-Q209 PolarHBondContact O-N 2.92Å; E207-G210 PolarHBondContact O-N 3.31Å; E207-F211 WeakPolarHBondContact CA-O 3.19Å; E207-V213 HydrophobicContact CG-CB 4.05Å; E207-V213 HydrophobicContact CG-CG2 3.67Å; E207-Y215 PolarHBondContact OE2-OH 2.93Å
208T98.6Very high98.4Very high99 Ų9944.1 Ų44.161%0.60723%0.233SC*.Hα-helixtrans-66.1-22174.376.50000113.6K204 Y205 L206 G210K204-T208 PolarHBondContact O-N 3.44Å; Y205-T208 WeakPolarHBondContact O-CA 3.04Å; Y205-T208 WeakPolarHBondContact O-CB 3.27Å; Y205-T208 PolarHBondContact O-N 3.07Å; Y205-T208 PolarHBondContact O-OG1 3.23Å; L206-T208 VanDerWaalsContact C-N 3.27Å; L206-T208 PolarHBondContact O-N 3.27Å; T208-G210 VanDerWaalsContact C-N 3.27Å
209Q98.6Very high98.5Very high82 Ų8247.3 Ų47.338%0.38325%0.248SC..THydrogen-bonded Turntrans-88.43.9175.6-55-52.9-63.900112.2F180 R187 Y205 L206 E207 F211F180-Q209 HydrophobicContact CE1-CB 4.25Å; F180-Q209 HydrophobicContact CE1-CG 4.35Å; F180-Q209 HydrophobicContact CZ-CB 4.46Å; F180-Q209 HydrophobicContact CZ-CG 4.1Å; R187-Q209 PolarHBondContact NH2-O 2.67Å; Y205-Q209 HydrophobicContact CD1-CG 4.45Å; Y205-Q209 HydrophobicContact CD2-CG 4.49Å; Y205-Q209 HydrophobicContact CE1-CG 3.93Å; Y205-Q209 HydrophobicContact CE2-CG 3.96Å; Y205-Q209 PolarHBondContact O-N 3.08Å; L206-Q209 CarbonylContact O-C 3.58Å; L206-Q209 WeakPolarHBondContact O-CA 3.23Å; L206-Q209 WeakPolarHBondContact O-CB 3.27Å; L206-Q209 PolarHBondContact O-N 3.39Å; E207-Q209 PolarHBondContact O-N 2.92Å; Q209-F211 HydrophobicContact CB-CD2 4.14Å; Q209-F211 HydrophobicContact CB-CE2 4.34Å
210G98.4Very high98.3Very high47 Ų4756.2 Ų56.249%0.48528%0.282SS..THydrogen-bonded Turntrans8520.7177.400000114.2R187 L206 E207 T208R187-G210 PolarHBondContact NE-O 2.86Å; R187-G210 PolarHBondContact NH2-O 2.54Å; L206-G210 PolarHBondContact O-N 3.41Å; E207-G210 PolarHBondContact O-N 3.31Å; T208-G210 VanDerWaalsContact C-N 3.27Å
211F98.8Very high98.3Very high10 Ų1060.7 Ų60.74%0.04430%0.301CS..  trans-82.7154164.8-69-93.9000109.7A179 F180 Q183 R187 L189 L206 E207 Q209 I238A179-F211 VanDerWaalsContact C-CZ 3.47Å; A179-F211 HydrophobicContact CB-CD1 4.26Å; A179-F211 HydrophobicContact CB-CE1 3.76Å; A179-F211 HydrophobicContact CB-CE2 4.24Å; A179-F211 HydrophobicContact CB-CZ 3.75Å; A179-F211 VanDerWaalsContact O-CE1 3.27Å; A179-F211 WeakPolarHBondContact O-CE1 3.38Å; A179-F211 WeakPolarHBondContact O-CZ 3.21Å; F180-F211 AromaticContact CD1-CE2 3.98Å; F180-F211 HydrophobicContact CD1-CE2 3.98Å; F180-F211 HydrophobicContact CD1-CZ 4.18Å; F180-F211 AromaticContact CE1-CE2 3.89Å; F180-F211 HydrophobicContact CE1-CE2 3.89Å; Q183-F211 HydrophobicContact CB-CE1 4.02Å; Q183-F211 HydrophobicContact CB-CZ 3.83Å; R187-F211 HydrophobicContact CB-CD1 3.91Å; R187-F211 HydrophobicContact CB-CE1 4.33Å; R187-F211 HydrophobicContact CG-CD1 4.4Å; R187-F211 HydrophobicContact CG-CE1 4.35Å; R187-F211 CarbonylContact O-C 3.57Å; R187-F211 WeakPolarHBondContact O-CA 3.44Å; L189-F211 HydrophobicContact CD1-CB 3.79Å; L189-F211 HydrophobicContact CD1-CD1 3.56Å; L189-F211 HydrophobicContact CD1-CE1 4.49Å; L189-F211 HydrophobicContact CD1-CG 3.96Å; L206-F211 HydrophobicContact CB-CB 4.05Å; L206-F211 HydrophobicContact CB-CD2 4.03Å; L206-F211 HydrophobicContact CB-CG 4.24Å; L206-F211 HydrophobicContact CD2-CD2 3.8Å; L206-F211 HydrophobicContact CD2-CE2 3.88Å; L206-F211 HydrophobicContact CD2-CG 4.49Å; L206-F211 HydrophobicContact CG-CD2 4.47Å; L206-F211 WeakPolarHBondContact O-CB 3.45Å; L206-F211 WeakPolarHBondContact O-CD2 3.49Å; L206-F211 PolarHBondContact O-N 2.95Å; E207-F211 WeakPolarHBondContact CA-O 3.19Å; Q209-F211 HydrophobicContact CB-CD2 4.14Å; Q209-F211 HydrophobicContact CB-CE2 4.34Å; F211-I238 HydrophobicContact CE1-CD1 4.17Å
212E98.7Very high98.2Very high101 Ų10156.3 Ų56.347%0.47228%0.278SS..EExtended strand (participates in β ladder)trans-102.3129171.4-171-176.3160.700108.5R187 H188 L189 R234R187-E212 PolarHBondContact O-N 3.25Å; H188-E212 WeakPolarHBondContact CA-O 3.35Å; H188-E212 PolarHBondContact CD2-O 2.82Å; L189-E212 PolarHBondContact N-O 3.04Å; E212-R234 IonicContact OE1-CZ 3.09Å; E212-R234 IonicContact OE1-NH1 3.66Å; E212-R234 PolarHBondContact OE1-NH1 2.91Å; E212-R234 IonicContact OE1-NH2 3.18Å; E212-R234 IonicContact OE2-CZ 3.74Å; E212-R234 IonicContact OE2-NH1 2.76Å; E212-R234 PolarHBondContact OE2-NH1 3.25Å; E212-R234 IonicContact OE2-NH2 2.95Å; E212-R234 PolarHBondContact OE2-NH2 2.93Å
213V98.9Very high98.1Very high14 Ų1457.4 Ų57.49%0.08528%0.283CS..EExtended strand (participates in β ladder)trans-119.9122.2179-174.80000109.7L189 T191 M203 E207 Y215L189-V213 HydrophobicContact CB-CG2 4.43Å; L189-V213 WeakPolarHBondContact O-CA 3.28Å; T191-V213 HydrophobicContact CG2-CG1 3.9Å; M203-V213 HydrophobicContact CB-CG1 4.14Å; M203-V213 HydrophobicContact CB-CG2 4.33Å; M203-V213 HydrophobicContact CG-CG1 4.39Å; M203-V213 HydrophobicContact SD-CG1 4.08Å; M203-V213 HydrophobicContact SD-CG2 4.26Å; E207-V213 HydrophobicContact CG-CB 4.05Å; E207-V213 HydrophobicContact CG-CG2 3.67Å; V213-Y215 HydrophobicContact CB-CD2 4.43Å; V213-Y215 HydrophobicContact CB-CE2 3.82Å; V213-Y215 HydrophobicContact CG1-CD1 4.39Å; V213-Y215 HydrophobicContact CG1-CD2 4.09Å; V213-Y215 HydrophobicContact CG1-CE1 4.03Å; V213-Y215 HydrophobicContact CG1-CE2 3.72Å; V213-Y215 HydrophobicContact CG1-CG 4.42Å
214T98.8Very high98.1Very high35 Ų3558.2 Ų58.222%0.21529%0.288CS..EExtended strand (participates in β ladder)trans-89.8119.3168.1-63.70000109.6H188 L189 I190 T191 L216H188-T214 PolarHBondContact NE2-OG1 3.19Å; L189-T214 PolarHBondContact O-N 3.18Å; I190-T214 WeakPolarHBondContact CA-O 3.26Å; T191-T214 PolarHBondContact N-O 3.41Å; T214-L216 HydrophobicContact CG2-CD2 4.36Å
215Y98.7Very high98Very high54 Ų5454.7 Ų54.721%0.21228%0.276CS..EExtended strand (participates in β ladder)trans-98.7101.5175.2-61.4-91.9000109.7T191 M203 K204 E207 V213T191-Y215 HydrophobicContact CG2-CD1 3.44Å; T191-Y215 VanDerWaalsContact CG2-CD1 3.44Å; T191-Y215 HydrophobicContact CG2-CE1 3.68Å; T191-Y215 HydrophobicContact CG2-CG 4.26Å; T191-Y215 CarbonylContact O-C 3.47Å; T191-Y215 WeakPolarHBondContact O-CA 3.16Å; M203-Y215 HydrophobicContact CB-CE1 4.13Å; K204-Y215 PolarHBondContact N-OH 2.96Å; E207-Y215 PolarHBondContact OE2-OH 2.93Å; V213-Y215 HydrophobicContact CB-CD2 4.43Å; V213-Y215 HydrophobicContact CB-CE2 3.82Å; V213-Y215 HydrophobicContact CG1-CD1 4.39Å; V213-Y215 HydrophobicContact CG1-CD2 4.09Å; V213-Y215 HydrophobicContact CG1-CE1 4.03Å; V213-Y215 HydrophobicContact CG1-CE2 3.72Å; V213-Y215 HydrophobicContact CG1-CG 4.42Å
216L98.7Very high98Very high2 Ų251.3 Ų51.31%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-59.2130.6178.8-62177.8000110.4I190 T191 T192 Q193 T214 D228 L229 I242I190-L216 HydrophobicContact CG2-CD1 3.82Å; I190-L216 HydrophobicContact CG2-CD2 4.08Å; I190-L216 HydrophobicContact CG2-CG 3.75Å; T191-L216 WeakPolarHBondContact O-CB 3.38Å; T191-L216 WeakPolarHBondContact O-CG 3.12Å; T191-L216 PolarHBondContact O-N 3.05Å; T192-L216 HydrophobicContact CG2-CB 4.5Å; Q193-L216 WeakPolarHBondContact CG-O 3.24Å; Q193-L216 PolarHBondContact N-O 3.13Å; T214-L216 HydrophobicContact CG2-CD2 4.36Å; L216-D228 HydrophobicContact CD2-CB 4.19Å; L216-L229 HydrophobicContact CD1-CB 4.09Å; L216-L229 HydrophobicContact CD1-CD1 4.18Å; L216-I242 HydrophobicContact CD1-CD1 4.18Å
217P98.1Very high98Very high53 Ų5357.5 Ų57.534%0.34429%0.294SS..  trans-70.7164.7176.433.5-35.9000110.6D228P217-D228 WeakPolarHBondContact CG-OD2 3.24Å
218V98Very high97.9Very high18 Ų1856.8 Ų56.811%0.10929%0.293CS..  trans-120.5152169.3-66.10000110.3I194 N223 I224 A435 M436I194-V218 HydrophobicContact CD1-CG1 3.77Å; I194-V218 HydrophobicContact CG1-CG1 3.88Å; I194-V218 HydrophobicContact CG2-CB 4.46Å; I194-V218 HydrophobicContact CG2-CG1 3.98Å; I194-V218 HydrophobicContact CG2-CG2 3.67Å; V218-N223 VanDerWaalsContact CA-O 3.28Å; V218-N223 WeakPolarHBondContact CA-O 3.41Å; V218-I224 HydrophobicContact CG1-CG2 3.83Å; V218-A435 HydrophobicContact CG2-CB 3.97Å; V218-M436 HydrophobicContact CG2-CG 4.01Å
219D97Very high97.9Very high74 Ų7452.1 Ų52.140%0.39626%0.264SS..  trans-74-179.5171.173.85.3000111.8K221 G222 N223D219-K221 PolarHBondContact O-N 3.42Å; D219-K221 VanDerWaalsContact O-N 3.13Å; D219-K221 VanDerWaalsContact OD1-C 3.25Å; D219-K221 VanDerWaalsContact OD1-CA 3.24Å; D219-K221 WeakPolarHBondContact OD1-CA 3.09Å; D219-K221 WeakPolarHBondContact OD1-CB 3.45Å; D219-K221 PolarHBondContact OD1-N 2.93Å; D219-G222 PolarHBondContact O-N 3.38Å; D219-G222 PolarHBondContact OD1-N 3.06Å; D219-N223 PolarHBondContact N-O 2.96Å; D219-N223 PolarHBondContact OD1-N 3.41Å
220R95.6Very high97.9Very high188 Ų18851.8 Ų51.871%0.70927%0.265SS*.THydrogen-bonded Turntrans-65.9-10.8176.6-74.1-170.6171.3-148.9-3.5114.3M436 Y437R220-M436 WeakPolarHBondContact O-CE 3.06Å; R220-Y437 HydrophobicContact CB-CE1 4.46Å
221K96.1Very high97.9Very high105 Ų10553.6 Ų53.646%0.45728%0.275SS..THydrogen-bonded Turntrans-96.7-2.4172.4-66.4-174.9172.6-170.40112D219 N251 G383 D384D219-K221 PolarHBondContact O-N 3.42Å; D219-K221 VanDerWaalsContact O-N 3.13Å; D219-K221 VanDerWaalsContact OD1-C 3.25Å; D219-K221 VanDerWaalsContact OD1-CA 3.24Å; D219-K221 WeakPolarHBondContact OD1-CA 3.09Å; D219-K221 WeakPolarHBondContact OD1-CB 3.45Å; D219-K221 PolarHBondContact OD1-N 2.93Å; K221-N251 PolarHBondContact O-ND2 2.93Å; K221-G383 CarbonylContact O-C 3.54Å; K221-G383 VanDerWaalsContact O-C 3.31Å; K221-G383 VanDerWaalsContact O-CA 3.23Å; K221-G383 WeakPolarHBondContact O-CA 3.41Å; K221-D384 HydrophobicContact CB-CB 4.42Å; K221-D384 IonicContact NZ-OD2 2.71Å; K221-D384 PolarHBondContact O-N 2.93Å
222G96.6Very high97.9Very high0 Ų054.2 Ų54.20%028%0.281CS..SBendtrans81.116.4-179.200000114.1D219D219-G222 PolarHBondContact O-N 3.38Å; D219-G222 PolarHBondContact OD1-N 3.06Å
223N97.4Very high97.9Very high32 Ų3251.1 Ų51.117%0.17127%0.268CS..PPolyproline II helixtrans-92.6144.2177.5-60.9-47.7000110.8V218 D219 N251 D384V218-N223 VanDerWaalsContact CA-O 3.28Å; V218-N223 WeakPolarHBondContact CA-O 3.41Å; D219-N223 PolarHBondContact N-O 2.96Å; D219-N223 PolarHBondContact OD1-N 3.41Å; N223-N251 PolarHBondContact OD1-ND2 3.25Å; N223-D384 PolarHBondContact ND2-OD2 3.21Å
224I97.3Very high97.8Very high17 Ų1753.5 Ų53.59%0.08728%0.275CS..PPolyproline II helixtrans-84.3152.1168.564171.4000111T192 V218 I242 M253 P254 I258T192-I224 HydrophobicContact CG2-CG2 3.7Å; V218-I224 HydrophobicContact CG1-CG2 3.83Å; I224-I242 HydrophobicContact CD1-CG2 4.37Å; I224-M253 HydrophobicContact CD1-SD 4.49Å; I224-M253 HydrophobicContact CG1-SD 4.2Å; I224-M253 HydrophobicContact CG2-SD 4.03Å; I224-P254 HydrophobicContact CD1-CG 3.93Å; I224-P254 HydrophobicContact CG1-CG 3.88Å; I224-I258 HydrophobicContact CD1-CD1 3.87Å
225S97.4Very high97.8Very high34 Ų3457.7 Ų57.724%0.23830%0.303CS..PPolyproline II helixtrans-90.1134.7167.8160.50000109.9E227 D228 L229S225-E227 VanDerWaalsContact C-N 3.28Å; S225-E227 WeakPolarHBondContact OG-CB 3.27Å; S225-E227 PolarHBondContact OG-N 3.02Å; S225-E227 VanDerWaalsContact OG-N 3.13Å; S225-E227 PolarHBondContact OG-OE2 2.92Å; S225-D228 PolarHBondContact O-N 3.39Å; S225-D228 PolarHBondContact OG-N 2.96Å; S225-L229 PolarHBondContact O-N 2.99Å
226L98.1Very high97.7Very high32 Ų3257.8 Ų57.817%0.16831%0.307CS..Hα-helixtrans-73.6-26.3173.4-70.4167.8000111.4L229 D230 P254 E257 I258L226-L229 HydrophobicContact CD2-CD2 4.39Å; L226-L229 WeakPolarHBondContact O-CB 3.37Å; L226-L229 PolarHBondContact O-N 3.3Å; L226-D230 WeakPolarHBondContact O-CB 3.33Å; L226-D230 PolarHBondContact O-N 3.36Å; L226-P254 HydrophobicContact CD2-CB 4.35Å; L226-P254 HydrophobicContact CD2-CG 3.89Å; L226-P254 HydrophobicContact CG-CG 4.32Å; L226-E257 HydrophobicContact CD1-CB 3.79Å; L226-E257 HydrophobicContact CD1-CG 4.19Å; L226-E257 HydrophobicContact CD2-CB 4.15Å; L226-I258 HydrophobicContact CD2-CG1 3.97Å
227E98.3Very high97.7Very high131 Ų13157.8 Ų57.861%0.61231%0.307SS*.Hα-helixtrans-64.9-39.4172.4-59.173.4-163.700111.5S225 L229 D230 A231S225-E227 VanDerWaalsContact C-N 3.28Å; S225-E227 WeakPolarHBondContact OG-CB 3.27Å; S225-E227 PolarHBondContact OG-N 3.02Å; S225-E227 VanDerWaalsContact OG-N 3.13Å; S225-E227 PolarHBondContact OG-OE2 2.92Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-D230 PolarHBondContact O-N 3.07Å; E227-A231 WeakPolarHBondContact O-CB 3.43Å; E227-A231 PolarHBondContact O-N 3.29Å
228D98.3Very high97.7Very high65 Ų6555.4 Ų55.435%0.34829%0.291SS..Hα-helixtrans-64.5-38.3173.9-73.7-24.9000111.5L216 P217 S225 S232L216-D228 HydrophobicContact CD2-CB 4.19Å; P217-D228 WeakPolarHBondContact CG-OD2 3.24Å; S225-D228 PolarHBondContact O-N 3.39Å; S225-D228 PolarHBondContact OG-N 2.96Å; D228-S232 VanDerWaalsContact O-CB 3.25Å; D228-S232 WeakPolarHBondContact O-CB 3.34Å; D228-S232 PolarHBondContact O-N 2.79Å; D228-S232 VanDerWaalsContact O-N 3.07Å; D228-S232 PolarHBondContact O-OG 2.96Å
229L98.5Very high97.8Very high1 Ų154.5 Ų54.51%0.00529%0.286CS..Hα-helixtrans-62.7-50.5172.1172.665.5000111I190 L216 S225 L226 E227 A231 S232 L233 V240 I258I190-L229 HydrophobicContact CD1-CD1 4.22Å; I190-L229 HydrophobicContact CG2-CD1 4.13Å; L216-L229 HydrophobicContact CD1-CB 4.09Å; L216-L229 HydrophobicContact CD1-CD1 4.18Å; S225-L229 PolarHBondContact O-N 2.99Å; L226-L229 HydrophobicContact CD2-CD2 4.39Å; L226-L229 WeakPolarHBondContact O-CB 3.37Å; L226-L229 PolarHBondContact O-N 3.3Å; E227-L229 VanDerWaalsContact C-N 3.33Å; L229-A231 VanDerWaalsContact C-N 3.28Å; L229-A231 PolarHBondContact O-N 2.89Å; L229-S232 CarbonylContact O-C 3.04Å; L229-S232 PolarHBondContact O-N 3.28Å; L229-L233 HydrophobicContact CD1-CD1 4.37Å; L229-L233 HydrophobicContact CD1-CD2 4.44Å; L229-L233 HydrophobicContact CD1-CG 4.12Å; L229-L233 HydrophobicContact CG-CD1 4.2Å; L229-L233 HydrophobicContact CG-CG 4.39Å; L229-L233 WeakPolarHBondContact O-CG 3.46Å; L229-L233 PolarHBondContact O-N 3.27Å; L229-V240 HydrophobicContact CD1-CG1 4.29Å; L229-I258 HydrophobicContact CD2-CB 4.24Å; L229-I258 HydrophobicContact CD2-CG1 3.78Å; L229-I258 HydrophobicContact CD2-CG2 3.96Å
230D98.3Very high97.9Very high74 Ų7451 Ų5140%0.39627%0.267SS..Hα-helixtrans-60-39.4-178.4-69.5-29.2000111.4L226 E227 S232 R261L226-D230 WeakPolarHBondContact O-CB 3.33Å; L226-D230 PolarHBondContact O-N 3.36Å; E227-D230 PolarHBondContact O-N 3.07Å; D230-S232 VanDerWaalsContact C-N 3.31Å; D230-S232 PolarHBondContact O-N 3.06Å; D230-R261 WeakPolarHBondContact OD1-CD 3.11Å; D230-R261 IonicContact OD1-NE 3.41Å; D230-R261 PolarHBondContact OD1-NE 2.76Å; D230-R261 IonicContact OD2-CZ 3.37Å; D230-R261 IonicContact OD2-NE 3.54Å; D230-R261 PolarHBondContact OD2-NE 3.2Å; D230-R261 VanDerWaalsContact OD2-NE 3.1Å; D230-R261 IonicContact OD2-NH2 3.18Å; D230-R261 PolarHBondContact OD2-NH2 2.96Å
231A98.3Very high98Very high85 Ų8542 Ų4270%0.70223%0.233SC*.Hα-helixtrans-70.8-25.3175.400000113.6E227 L229E227-A231 WeakPolarHBondContact O-CB 3.43Å; E227-A231 PolarHBondContact O-N 3.29Å; L229-A231 VanDerWaalsContact C-N 3.28Å; L229-A231 PolarHBondContact O-N 2.89Å
232S98.3Very high98.2Very high24 Ų2437 Ų3717%0.16821%0.212CC..Hα-helixtrans-90.1-19.3-179.7-59.10000113H188 I190 D228 L229 D230 R234H188-S232 PolarHBondContact CE1-O 3.05Å; H188-S232 VanDerWaalsContact CE1-O 3.3Å; I190-S232 WeakPolarHBondContact CD1-O 3.38Å; D228-S232 VanDerWaalsContact O-CB 3.25Å; D228-S232 WeakPolarHBondContact O-CB 3.34Å; D228-S232 PolarHBondContact O-N 2.79Å; D228-S232 VanDerWaalsContact O-N 3.07Å; D228-S232 PolarHBondContact O-OG 2.96Å; L229-S232 CarbonylContact O-C 3.04Å; L229-S232 PolarHBondContact O-N 3.28Å; D230-S232 VanDerWaalsContact C-N 3.31Å; D230-S232 PolarHBondContact O-N 3.06Å; S232-R234 WeakPolarHBondContact O-CG 3.35Å; S232-R234 PolarHBondContact O-N 3.22Å
233L98.4Very high98.2Very high36 Ų3637.1 Ų37.119%0.18821%0.212CC..  trans-66.8126.3177-79170.1000110.9I190 L229 T237 V240 L262I190-L233 HydrophobicContact CD1-CD2 3.83Å; I190-L233 HydrophobicContact CD1-CG 4.17Å; L229-L233 HydrophobicContact CD1-CD1 4.37Å; L229-L233 HydrophobicContact CD1-CD2 4.44Å; L229-L233 HydrophobicContact CD1-CG 4.12Å; L229-L233 HydrophobicContact CG-CD1 4.2Å; L229-L233 HydrophobicContact CG-CG 4.39Å; L229-L233 WeakPolarHBondContact O-CG 3.46Å; L229-L233 PolarHBondContact O-N 3.27Å; L233-T237 HydrophobicContact CD2-CG2 4.42Å; L233-V240 HydrophobicContact CD2-CG2 4.04Å; L233-L262 HydrophobicContact CD1-CD2 4.22Å; L233-L262 HydrophobicContact CD2-CD2 3.71Å
234R98.2Very high98.3Very high63 Ų6336.9 Ų36.924%0.23821%0.209CC..  trans-125.8153.5-178.9-51.2-163.3-56.9-140.520.2109.7H188 E212 S232 D236 T237 H265H188-R234 PolarHBondContact CD2-NH1 3.26Å; H188-R234 PolarHBondContact CD2-NH2 3.21Å; H188-R234 PolarHBondContact ND1-NE 3.44Å; H188-R234 PolarHBondContact NE2-NH1 2.95Å; E212-R234 IonicContact OE1-CZ 3.09Å; E212-R234 IonicContact OE1-NH1 3.66Å; E212-R234 PolarHBondContact OE1-NH1 2.91Å; E212-R234 IonicContact OE1-NH2 3.18Å; E212-R234 IonicContact OE2-CZ 3.74Å; E212-R234 IonicContact OE2-NH1 2.76Å; E212-R234 PolarHBondContact OE2-NH1 3.25Å; E212-R234 IonicContact OE2-NH2 2.95Å; E212-R234 PolarHBondContact OE2-NH2 2.93Å; S232-R234 WeakPolarHBondContact O-CG 3.35Å; S232-R234 PolarHBondContact O-N 3.22Å; R234-D236 WeakPolarHBondContact CB-OD1 3.15Å; R234-D236 IonicContact CZ-OD1 2.9Å; R234-D236 IonicContact NE-OD1 2.65Å; R234-D236 PolarHBondContact NE-OD1 3.48Å; R234-D236 IonicContact NE-OD2 2.68Å; R234-D236 IonicContact NH2-OD1 2.71Å; R234-D236 IonicContact NH2-OD2 3.44Å; R234-D236 PolarHBondContact NH2-OD2 3.42Å; R234-D236 PolarHBondContact O-N 3.47Å; R234-T237 PolarHBondContact N-OG1 3.05Å; R234-T237 WeakPolarHBondContact O-CB 3.41Å; R234-T237 PolarHBondContact O-N 3.12Å; R234-T237 PolarHBondContact O-OG1 3.38Å; R234-H265 PolarHBondContact O-CE1 2.91Å; R234-H265 PolarHBondContact O-NE2 2.97Å
235P97.2Very high98.3Very high123 Ų12336.2 Ų36.280%0.79921%0.206SC*.THydrogen-bonded Turntrans-55.7-24.5175.4-26.235.3000114.7
236D97.9Very high98.3Very high57 Ų5734.6 Ų34.631%0.30520%0.195SC..THydrogen-bonded Turntrans-98.16177.674.9-45.3000114G186 R234 I238G186-D236 WeakPolarHBondContact CA-O 3.26Å; R234-D236 WeakPolarHBondContact CB-OD1 3.15Å; R234-D236 IonicContact CZ-OD1 2.9Å; R234-D236 IonicContact NE-OD1 2.65Å; R234-D236 PolarHBondContact NE-OD1 3.48Å; R234-D236 IonicContact NE-OD2 2.68Å; R234-D236 IonicContact NH2-OD1 2.71Å; R234-D236 IonicContact NH2-OD2 3.44Å; R234-D236 PolarHBondContact NH2-OD2 3.42Å; R234-D236 PolarHBondContact O-N 3.47Å; D236-I238 PolarHBondContact O-N 3.37Å
237T98.7Very high98.2Very high1 Ų133.9 Ų33.91%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-66.7119.3171-56.20000109H188 I190 L233 R234 V240 H265 A267H188-T237 PolarHBondContact ND1-OG1 3.44Å; H188-T237 WeakPolarHBondContact O-CA 3.26Å; I190-T237 HydrophobicContact CD1-CG2 3.89Å; I190-T237 HydrophobicContact CG1-CG2 3.92Å; L233-T237 HydrophobicContact CD2-CG2 4.42Å; R234-T237 PolarHBondContact N-OG1 3.05Å; R234-T237 WeakPolarHBondContact O-CB 3.41Å; R234-T237 PolarHBondContact O-N 3.12Å; R234-T237 PolarHBondContact O-OG1 3.38Å; T237-V240 HydrophobicContact CG2-CG2 4.14Å; T237-H265 PolarHBondContact O-CE1 2.76Å; T237-A267 HydrophobicContact CG2-CB 4.1Å; T237-A267 WeakPolarHBondContact O-CB 3.07Å
238I98.6Very high98.1Very high3 Ų327.7 Ų27.72%0.01516%0.162CC..EExtended strand (participates in β ladder)trans-101.1-22.4-177.555160.9000113.5R182 E185 G186 H188 L189 F211 D236 A267 Y268R182-I238 HydrophobicContact CB-CB 4.26Å; R182-I238 HydrophobicContact CB-CD1 4.13Å; R182-I238 HydrophobicContact CB-CG2 4.19Å; E185-I238 HydrophobicContact CB-CG2 4.26Å; G186-I238 WeakPolarHBondContact O-CD1 3.39Å; H188-I238 VanDerWaalsContact O-CG1 3.31Å; H188-I238 WeakPolarHBondContact O-CG1 3.3Å; H188-I238 PolarHBondContact O-N 2.95Å; L189-I238 HydrophobicContact CG-CG1 4.4Å; F211-I238 HydrophobicContact CE1-CD1 4.17Å; D236-I238 PolarHBondContact O-N 3.37Å; I238-A267 WeakPolarHBondContact O-CA 3.46Å; I238-Y268 PolarHBondContact O-N 2.82Å
239L98.9Very high98Very high0 Ų024.6 Ų24.60%015%0.146CC..EExtended strand (participates in β ladder)trans-146.6136.2179.5-176.969.2000111.1I175 T178 L189 I190 M203 Y268 H270I175-L239 HydrophobicContact CB-CD2 4.25Å; I175-L239 HydrophobicContact CG1-CD2 3.98Å; I175-L239 HydrophobicContact CG2-CD2 4.31Å; T178-L239 HydrophobicContact CG2-CB 4Å; T178-L239 HydrophobicContact CG2-CD1 4.07Å; T178-L239 HydrophobicContact CG2-CD2 4.49Å; T178-L239 HydrophobicContact CG2-CG 4.4Å; L189-L239 WeakPolarHBondContact CA-O 3.44Å; L189-L239 HydrophobicContact CD2-CB 3.98Å; L189-L239 HydrophobicContact CD2-CD2 3.85Å; L189-L239 HydrophobicContact CD2-CG 4.46Å; L189-L239 HydrophobicContact CG-CB 4.2Å; I190-L239 PolarHBondContact N-O 3.01Å; M203-L239 HydrophobicContact CE-CD2 4.41Å; L239-Y268 WeakPolarHBondContact CA-O 3.45Å; L239-Y268 WeakPolarHBondContact CD1-O 3.36Å; L239-H270 HydrophobicContact CD1-CB 3.94Å
240V98.9Very high98Very high0 Ų024.6 Ų24.60%015%0.145CC..EExtended strand (participates in β ladder)trans-113.9124161.6179.90000107.7I190 L229 L233 T237 I242 I258 L262 A267 Y268 F269 H270I190-V240 HydrophobicContact CB-CG1 4.45Å; I190-V240 HydrophobicContact CB-CG2 4.17Å; I190-V240 HydrophobicContact CD1-CG2 4.3Å; I190-V240 CarbonylContact O-C 3.54Å; I190-V240 WeakPolarHBondContact O-CA 3.42Å; L229-V240 HydrophobicContact CD1-CG1 4.29Å; L233-V240 HydrophobicContact CD2-CG2 4.04Å; T237-V240 HydrophobicContact CG2-CG2 4.14Å; V240-I242 HydrophobicContact CG1-CD1 4.29Å; V240-I242 HydrophobicContact CG1-CG1 3.81Å; V240-I258 HydrophobicContact CG1-CG2 4.24Å; V240-L262 HydrophobicContact CB-CD1 3.79Å; V240-L262 HydrophobicContact CG1-CD1 4.22Å; V240-L262 HydrophobicContact CG2-CD1 3.97Å; V240-L262 HydrophobicContact CG2-CD2 3.88Å; V240-A267 HydrophobicContact CG2-CB 4.27Å; V240-Y268 PolarHBondContact N-O 3.25Å; V240-F269 HydrophobicContact CG1-CD2 4.46Å; V240-H270 PolarHBondContact O-N 3.3Å
241S98.9Very high98Very high0 Ų021 Ų210%013%0.127CC..EExtended strand (participates in β ladder)trans-125.7109.2-178.1174.10000110.2I190 T191 H270I190-S241 PolarHBondContact O-N 3.25Å; T191-S241 VanDerWaalsContact CA-O 3.26Å; T191-S241 WeakPolarHBondContact CA-O 3.05Å; T191-S241 WeakPolarHBondContact CB-O 3.32Å; T191-S241 PolarHBondContact OG1-O 3.24Å; S241-H270 WeakPolarHBondContact CA-O 3.36Å; S241-H270 PolarHBondContact OG-ND1 3.32Å
242I98.8Very high98Very high0 Ų018 Ų180%010%0.099CC..  trans-132.8120.7-175.2-52.1-69.1000108.6T192 E195 L216 I224 V240 M253 I255 I258 F269 H270 T271T192-I242 HydrophobicContact CG2-CD1 3.43Å; T192-I242 VanDerWaalsContact CG2-CD1 3.43Å; T192-I242 HydrophobicContact CG2-CG2 4.03Å; E195-I242 WeakPolarHBondContact OE1-CA 3.1Å; L216-I242 HydrophobicContact CD1-CD1 4.18Å; I224-I242 HydrophobicContact CD1-CG2 4.37Å; V240-I242 HydrophobicContact CG1-CD1 4.29Å; V240-I242 HydrophobicContact CG1-CG1 3.81Å; I242-M253 HydrophobicContact CG2-CB 3.78Å; I242-M253 HydrophobicContact CG2-CG 3.8Å; I242-I255 HydrophobicContact CB-CD1 4.32Å; I242-I255 HydrophobicContact CG2-CD1 4.15Å; I242-I258 HydrophobicContact CB-CD1 4.23Å; I242-I258 HydrophobicContact CG1-CD1 4.02Å; I242-I258 HydrophobicContact CG2-CD1 4.02Å; I242-F269 HydrophobicContact CB-CE2 4.36Å; I242-F269 HydrophobicContact CG1-CE2 4.43Å; I242-H270 PolarHBondContact N-O 2.84Å; I242-T271 VanDerWaalsContact O-CA 3.27Å; I242-T271 WeakPolarHBondContact O-CA 3.26Å; I242-T271 VanDerWaalsContact O-CB 3.23Å; I242-T271 WeakPolarHBondContact O-CB 3.28Å; I242-T271 PolarHBondContact O-OG1 3.42Å
243M98.6Very high97.9Very high2 Ų217.3 Ų17.31%0.019%0.093CC..  trans-58.5142.6175.965.7-175.7-30.900111.4E195 H196 G245 N246 M253 D272E195-M243 PolarHBondContact OE1-N 2.99Å; E195-M243 VanDerWaalsContact OE1-N 3.13Å; E195-M243 WeakPolarHBondContact OE2-CA 3.48Å; E195-M243 WeakPolarHBondContact OE2-CB 3.45Å; E195-M243 PolarHBondContact OE2-N 3.04Å; H196-M243 HydrophobicContact CB-CE 4.45Å; M243-G245 WeakPolarHBondContact CE-O 3.28Å; M243-N246 HydrophobicContact SD-CB 3.97Å; M243-N246 PolarHBondContact SD-ND2 2.76Å; M243-N246 VanDerWaalsContact SD-ND2 3.41Å; M243-M253 HydrophobicContact CG-CG 4.46Å; M243-M253 VanDerWaalsContact O-CB 3.27Å; M243-M253 WeakPolarHBondContact O-CB 3.42Å; M243-M253 WeakPolarHBondContact O-CG 3.45Å; M243-D272 CarbonylContact C-O 3.43Å; M243-D272 WeakPolarHBondContact CA-O 3.26Å; M243-D272 HydrophobicContact CB-CB 4.11Å
244Y98.6Very high97.9Very high27 Ų2717 Ų1711%0.1069%0.093CC..SBendtrans-68-44.5-177.9-162.4-70.4000111.5L252 M253 I255 T271 D272 A273 A276 Q280 I282 L287Y244-L252 HydrophobicContact CD1-CD2 3.93Å; Y244-L252 HydrophobicContact CE1-CD2 3.98Å; Y244-M253 PolarHBondContact O-N 2.97Å; Y244-I255 HydrophobicContact CD2-CB 4.3Å; Y244-I255 HydrophobicContact CD2-CG1 3.78Å; Y244-I255 HydrophobicContact CD2-CG2 4.13Å; Y244-I255 HydrophobicContact CE2-CB 4.2Å; Y244-I255 HydrophobicContact CE2-CG1 4.14Å; Y244-I255 HydrophobicContact CE2-CG2 4.04Å; Y244-I255 HydrophobicContact CG-CG1 4Å; Y244-T271 HydrophobicContact CD2-CG2 4.37Å; Y244-T271 PolarHBondContact N-OG1 3.01Å; Y244-T271 VanDerWaalsContact N-OG1 3.11Å; Y244-D272 PolarHBondContact N-O 3.14Å; Y244-A273 HydrophobicContact CD2-CB 4.42Å; Y244-A273 HydrophobicContact CG-CB 4.42Å; Y244-A276 HydrophobicContact CD1-CB 3.32Å; Y244-A276 HydrophobicContact CE1-CB 4.13Å; Y244-A276 HydrophobicContact CG-CB 3.74Å; Y244-Q280 HydrophobicContact CD1-CG 4.5Å; Y244-Q280 HydrophobicContact CE1-CB 4.06Å; Y244-Q280 HydrophobicContact CE1-CG 3.96Å; Y244-I282 HydrophobicContact CD2-CD1 3.88Å; Y244-I282 HydrophobicContact CD2-CG1 4.48Å; Y244-I282 HydrophobicContact CE1-CD1 4.45Å; Y244-I282 HydrophobicContact CE2-CD1 3.77Å; Y244-I282 HydrophobicContact CE2-CG1 3.85Å; Y244-I282 HydrophobicContact CE2-CG2 4.13Å; Y244-I282 HydrophobicContact CG-CD1 4.28Å; Y244-L287 HydrophobicContact CE2-CD1 3.92Å
245G97.7Very high97.9Very high2 Ų214.2 Ų14.22%0.0218%0.083CC..BIsolated β-bridgetrans-148.5132.3178.700000111.4M243 N247 N251M243-G245 WeakPolarHBondContact CE-O 3.28Å; G245-N247 PolarHBondContact O-N 3.38Å; G245-N251 CarbonylContact C-O 3.57Å; G245-N251 VanDerWaalsContact CA-O 3.24Å; G245-N251 WeakPolarHBondContact CA-O 3.33Å
246N97.6Very high98Very high0 Ų013.7 Ų13.70%07%0.068CC..  trans-69129.6-172.6-174.7-82.9000111.9I194 M243 E248 I249 G250 N251I194-N246 HydrophobicContact CD1-CB 4.48Å; I194-N246 PolarHBondContact O-ND2 2.91Å; M243-N246 HydrophobicContact SD-CB 3.97Å; M243-N246 PolarHBondContact SD-ND2 2.76Å; M243-N246 VanDerWaalsContact SD-ND2 3.41Å; N246-E248 PolarHBondContact O-N 3.01Å; N246-E248 WeakPolarHBondContact OD1-CA 3.33Å; N246-E248 WeakPolarHBondContact OD1-CB 3.29Å; N246-E248 PolarHBondContact OD1-N 3.38Å; N246-I249 HydrophobicContact CB-CG1 3.91Å; N246-I249 WeakPolarHBondContact OD1-CG1 3.45Å; N246-I249 PolarHBondContact OD1-N 2.99Å; N246-G250 WeakPolarHBondContact O-CA 3.47Å; N246-G250 PolarHBondContact O-N 3.32Å; N246-N251 PolarHBondContact N-O 3.25Å
247N95.7Very high98Very high17 Ų1714.7 Ų14.79%0.0917%0.071CC..THydrogen-bonded Turntrans-74.7-6.5-176.863.8-89.3000114.7G245 Q275 R449G245-N247 PolarHBondContact O-N 3.38Å; N247-Q275 HydrophobicContact CB-CB 4.32Å; N247-Q275 HydrophobicContact CB-CG 4.19Å; N247-R449 WeakPolarHBondContact O-CD 3.1Å; N247-R449 PolarHBondContact O-NH1 2.66Å
248E95.9Very high98Very high1 Ų114.7 Ų14.71%0.0057%0.07CC..THydrogen-bonded Turntrans-110.8-49.3-176.6-175.8166.6161.300113.2N246 V392 N394 S430 V432N246-E248 PolarHBondContact O-N 3.01Å; N246-E248 WeakPolarHBondContact OD1-CA 3.33Å; N246-E248 WeakPolarHBondContact OD1-CB 3.29Å; N246-E248 PolarHBondContact OD1-N 3.38Å; E248-V392 WeakPolarHBondContact O-CG1 3.35Å; E248-N394 WeakPolarHBondContact CG-ND2 3.3Å; E248-N394 WeakPolarHBondContact O-CB 3.27Å; E248-N394 PolarHBondContact O-ND2 3Å; E248-N394 VanDerWaalsContact O-ND2 3.16Å; E248-S430 WeakPolarHBondContact OE1-CB 3.41Å; E248-S430 PolarHBondContact OE1-OG 3.48Å; E248-S430 PolarHBondContact OE2-OG 2.81Å; E248-V432 HydrophobicContact CB-CB 4.43Å; E248-V432 HydrophobicContact CB-CG1 4.46Å; E248-V432 HydrophobicContact CB-CG2 4.22Å
249I96.9Very high98Very high1 Ų114.8 Ų14.81%0.0057%0.072CC..THydrogen-bonded Turntrans-103.6-10-17960.7173.2000113.1N246 N251 N382 N394 V432 L433 M436N246-I249 HydrophobicContact CB-CG1 3.91Å; N246-I249 WeakPolarHBondContact OD1-CG1 3.45Å; N246-I249 PolarHBondContact OD1-N 2.99Å; I249-N251 VanDerWaalsContact C-N 3.27Å; I249-N251 HydrophobicContact CD1-CB 4.16Å; I249-N251 WeakPolarHBondContact CD1-OD1 3.41Å; I249-N251 HydrophobicContact CG1-CB 4.24Å; I249-N251 PolarHBondContact O-N 3.37Å; I249-N382 HydrophobicContact CG2-CB 3.98Å; I249-N394 HydrophobicContact CG2-CB 4.31Å; I249-V432 HydrophobicContact CD1-CG1 4.16Å; I249-V432 HydrophobicContact CG1-CG1 4.25Å; I249-V432 HydrophobicContact CG2-CG1 4.06Å; I249-L433 HydrophobicContact CG2-CD2 4.42Å; I249-M436 HydrophobicContact CD1-CE 4.38Å; I249-M436 HydrophobicContact CD1-SD 3.73Å; I249-M436 HydrophobicContact CG2-SD 4.06Å
250G97.1Very high98Very high0 Ų020.4 Ų20.40%010%0.098CC..  trans82.8-12.4176.800000115N246 L252 K388 L389N246-G250 WeakPolarHBondContact O-CA 3.47Å; N246-G250 PolarHBondContact O-N 3.32Å; G250-L252 PolarHBondContact O-N 3.35Å; G250-K388 CarbonylContact O-C 3.57Å; G250-K388 VanDerWaalsContact O-CA 3.28Å; G250-K388 WeakPolarHBondContact O-CA 3.3Å; G250-L389 WeakPolarHBondContact O-CB 3.29Å; G250-L389 WeakPolarHBondContact O-CG 3.46Å; G250-L389 PolarHBondContact O-N 3.47Å
251N98.1Very high97.9Very high0 Ų024.3 Ų24.30%011%0.113CC..BIsolated β-bridgetrans-50.2136-176.9-75.250.5000113.2K221 N223 G245 N246 I249 M253 G383 D384 N387K221-N251 PolarHBondContact O-ND2 2.93Å; N223-N251 PolarHBondContact OD1-ND2 3.25Å; G245-N251 CarbonylContact C-O 3.57Å; G245-N251 VanDerWaalsContact CA-O 3.24Å; G245-N251 WeakPolarHBondContact CA-O 3.33Å; N246-N251 PolarHBondContact N-O 3.25Å; I249-N251 VanDerWaalsContact C-N 3.27Å; I249-N251 HydrophobicContact CD1-CB 4.16Å; I249-N251 WeakPolarHBondContact CD1-OD1 3.41Å; I249-N251 HydrophobicContact CG1-CB 4.24Å; I249-N251 PolarHBondContact O-N 3.37Å; N251-M253 HydrophobicContact CB-CE 3.7Å; N251-G383 WeakPolarHBondContact OD1-CA 3.26Å; N251-D384 PolarHBondContact ND2-N 2.6Å; N251-D384 PolarHBondContact OD1-N 3.04Å; N251-N387 WeakPolarHBondContact CA-O 3.34Å
252L98.1Very high97.9Very high22 Ų2224.8 Ų24.812%0.11512%0.116CC..BIsolated β-bridgetrans-87.6130.1170.4-69.7168.6000109.6Y244 G250 Q280 N387 L389Y244-L252 HydrophobicContact CD1-CD2 3.93Å; Y244-L252 HydrophobicContact CE1-CD2 3.98Å; G250-L252 PolarHBondContact O-N 3.35Å; L252-Q280 HydrophobicContact CD2-CG 4.08Å; L252-N387 PolarHBondContact N-O 2.97Å; L252-N387 PolarHBondContact O-ND2 3.14Å; L252-L389 HydrophobicContact CD2-CD2 3.63Å; L252-L389 HydrophobicContact CD2-CG 3.87Å; L252-L389 HydrophobicContact CG-CD2 4.5Å; L252-L389 HydrophobicContact CG-CG 4.43Å
253M98.2Very high97.8Very high9 Ų932.8 Ų32.84%0.04415%0.151CC..PPolyproline II helixtrans-80.6154.6174.9-64.6-57.9109.100110.4I194 I224 I242 M243 Y244 N251 I255I194-M253 HydrophobicContact CD1-CE 3.92Å; I194-M253 HydrophobicContact CD1-SD 4.34Å; I224-M253 HydrophobicContact CD1-SD 4.49Å; I224-M253 HydrophobicContact CG1-SD 4.2Å; I224-M253 HydrophobicContact CG2-SD 4.03Å; I242-M253 HydrophobicContact CG2-CB 3.78Å; I242-M253 HydrophobicContact CG2-CG 3.8Å; M243-M253 HydrophobicContact CG-CG 4.46Å; M243-M253 VanDerWaalsContact O-CB 3.27Å; M243-M253 WeakPolarHBondContact O-CB 3.42Å; M243-M253 WeakPolarHBondContact O-CG 3.45Å; Y244-M253 PolarHBondContact O-N 2.97Å; N251-M253 HydrophobicContact CB-CE 3.7Å; M253-I255 HydrophobicContact CB-CD1 4Å; M253-I255 HydrophobicContact CB-CG1 4.33Å; M253-I255 PolarHBondContact O-N 2.81Å
254P97.7Very high97.6Very high30 Ų3040.1 Ų40.120%0.19519%0.19CC..  trans-7759.9-177.733.2-37000111.9I224 L226 K256 E257 I258I224-P254 HydrophobicContact CD1-CG 3.93Å; I224-P254 HydrophobicContact CG1-CG 3.88Å; L226-P254 HydrophobicContact CD2-CB 4.35Å; L226-P254 HydrophobicContact CD2-CG 3.89Å; L226-P254 HydrophobicContact CG-CG 4.32Å; P254-K256 VanDerWaalsContact C-N 3.29Å; P254-K256 PolarHBondContact O-N 2.9Å; P254-E257 WeakPolarHBondContact CA-OE2 3.38Å; P254-E257 HydrophobicContact CB-CB 4.22Å; P254-E257 HydrophobicContact CB-CG 4.43Å; P254-E257 WeakPolarHBondContact CB-OE2 3.47Å; P254-E257 PolarHBondContact O-N 2.89Å; P254-I258 HydrophobicContact CG-CD1 4.22Å; P254-I258 HydrophobicContact CG-CG1 4.39Å; P254-I258 WeakPolarHBondContact O-CG1 3.38Å; P254-I258 PolarHBondContact O-N 2.95Å
255I98.5Very high97.6Very high4 Ų440.8 Ų40.82%0.02119%0.194CC..Hα-helixtrans-59.3-38.5-170.4-63.8-57.9000112.1I242 Y244 M253 I258 G259 F269 L287 I289I242-I255 HydrophobicContact CB-CD1 4.32Å; I242-I255 HydrophobicContact CG2-CD1 4.15Å; Y244-I255 HydrophobicContact CD2-CB 4.3Å; Y244-I255 HydrophobicContact CD2-CG1 3.78Å; Y244-I255 HydrophobicContact CD2-CG2 4.13Å; Y244-I255 HydrophobicContact CE2-CB 4.2Å; Y244-I255 HydrophobicContact CE2-CG1 4.14Å; Y244-I255 HydrophobicContact CE2-CG2 4.04Å; Y244-I255 HydrophobicContact CG-CG1 4Å; M253-I255 HydrophobicContact CB-CD1 4Å; M253-I255 HydrophobicContact CB-CG1 4.33Å; M253-I255 PolarHBondContact O-N 2.81Å; I255-I258 PolarHBondContact O-N 3.05Å; I255-G259 PolarHBondContact O-N 3.28Å; I255-F269 HydrophobicContact CB-CZ 4.49Å; I255-F269 HydrophobicContact CD1-CZ 3.97Å; I255-F269 HydrophobicContact CG2-CE1 3.86Å; I255-F269 HydrophobicContact CG2-CZ 3.87Å; I255-F269 WeakPolarHBondContact O-CE1 3.24Å; I255-L287 HydrophobicContact CG2-CB 4.42Å; I255-L287 HydrophobicContact CG2-CD1 4.33Å; I255-I289 HydrophobicContact CG2-CD1 3.79Å; I255-I289 HydrophobicContact CG2-CG1 4.1Å
256K98.3Very high97.5Very high111 Ų11144.1 Ų44.148%0.48322%0.215SC..Hα-helixtrans-65.2-47.6178.9-175.6179.4176-176.10111.2P254 I258 G259 E260 L287P254-K256 VanDerWaalsContact C-N 3.29Å; P254-K256 PolarHBondContact O-N 2.9Å; K256-I258 VanDerWaalsContact C-N 3.27Å; K256-I258 PolarHBondContact O-N 3.37Å; K256-G259 PolarHBondContact O-N 2.92Å; K256-E260 VanDerWaalsContact CE-OE1 3.31Å; K256-E260 WeakPolarHBondContact CE-OE1 3.24Å; K256-E260 WeakPolarHBondContact O-CG 3.46Å; K256-E260 PolarHBondContact O-N 2.96Å; K256-L287 HydrophobicContact CB-CD2 3.73Å; K256-L287 HydrophobicContact CG-CD2 4.08Å
257E98.6Very high97.6Very high79 Ų7944.3 Ų44.337%0.36922%0.217SC..Hα-helixtrans-66.4-30.6-178.7-6383.6169.200112.2L226 P254 R261L226-E257 HydrophobicContact CD1-CB 3.79Å; L226-E257 HydrophobicContact CD1-CG 4.19Å; L226-E257 HydrophobicContact CD2-CB 4.15Å; P254-E257 WeakPolarHBondContact CA-OE2 3.38Å; P254-E257 HydrophobicContact CB-CB 4.22Å; P254-E257 HydrophobicContact CB-CG 4.43Å; P254-E257 WeakPolarHBondContact CB-OE2 3.47Å; P254-E257 PolarHBondContact O-N 2.89Å; E257-R261 WeakPolarHBondContact O-CD 3.48Å; E257-R261 WeakPolarHBondContact O-CG 3.48Å; E257-R261 PolarHBondContact O-N 3.05Å; E257-R261 PolarHBondContact O-NH1 2.97Å
258I98.7Very high97.7Very high0 Ų044.9 Ų44.90%022%0.218CC..Hα-helixtrans-70.1-48172.3-63.7169.6000110.1I224 L226 L229 V240 I242 P254 I255 K256 E260 R261 L262 F269I224-I258 HydrophobicContact CD1-CD1 3.87Å; L226-I258 HydrophobicContact CD2-CG1 3.97Å; L229-I258 HydrophobicContact CD2-CB 4.24Å; L229-I258 HydrophobicContact CD2-CG1 3.78Å; L229-I258 HydrophobicContact CD2-CG2 3.96Å; V240-I258 HydrophobicContact CG1-CG2 4.24Å; I242-I258 HydrophobicContact CB-CD1 4.23Å; I242-I258 HydrophobicContact CG1-CD1 4.02Å; I242-I258 HydrophobicContact CG2-CD1 4.02Å; P254-I258 HydrophobicContact CG-CD1 4.22Å; P254-I258 HydrophobicContact CG-CG1 4.39Å; P254-I258 WeakPolarHBondContact O-CG1 3.38Å; P254-I258 PolarHBondContact O-N 2.95Å; I255-I258 PolarHBondContact O-N 3.05Å; K256-I258 VanDerWaalsContact C-N 3.27Å; K256-I258 PolarHBondContact O-N 3.37Å; I258-E260 VanDerWaalsContact C-N 3.27Å; I258-E260 PolarHBondContact O-N 3.32Å; I258-R261 WeakPolarHBondContact O-CB 3.33Å; I258-R261 PolarHBondContact O-N 3.39Å; I258-R261 VanDerWaalsContact O-N 3.1Å; I258-L262 HydrophobicContact CG2-CD1 3.84Å; I258-L262 HydrophobicContact CG2-CG 4.4Å; I258-L262 WeakPolarHBondContact O-CG 3.37Å; I258-L262 PolarHBondContact O-N 3.49Å; I258-F269 HydrophobicContact CB-CE1 4.22Å; I258-F269 HydrophobicContact CB-CE2 4.39Å; I258-F269 HydrophobicContact CB-CZ 3.83Å; I258-F269 HydrophobicContact CG2-CD2 4.15Å; I258-F269 HydrophobicContact CG2-CE1 4.01Å; I258-F269 HydrophobicContact CG2-CE2 3.6Å; I258-F269 HydrophobicContact CG2-CZ 3.51Å
259G98.6Very high97.8Very high5 Ų544.9 Ų44.95%0.05222%0.218CC..Hα-helixtrans-58.7-38.1176.500000113.2I255 K256 R261 L262 K263 L287I255-G259 PolarHBondContact O-N 3.28Å; K256-G259 PolarHBondContact O-N 2.92Å; G259-R261 PolarHBondContact O-N 2.87Å; G259-L262 PolarHBondContact O-N 3.4Å; G259-K263 PolarHBondContact O-N 2.97Å; G259-L287 WeakPolarHBondContact CA-O 3.49Å
260E98.4Very high97.9Very high118 Ų11844.8 Ų44.855%0.55122%0.217SC*.Hα-helixtrans-62.3-39.8174.5-74.2173.2179.500112.6K256 I258 K263K256-E260 VanDerWaalsContact CE-OE1 3.31Å; K256-E260 WeakPolarHBondContact CE-OE1 3.24Å; K256-E260 WeakPolarHBondContact O-CG 3.46Å; K256-E260 PolarHBondContact O-N 2.96Å; I258-E260 VanDerWaalsContact C-N 3.27Å; I258-E260 PolarHBondContact O-N 3.32Å; E260-K263 WeakPolarHBondContact O-CB 3.28Å
261R97.9Very high98Very high82 Ų8244.8 Ų44.831%0.30922%0.217SC..Hα-helixtrans-68.5-33.2176-75.1164.7168.3743.6113.1D230 E257 I258 G259 K263D230-R261 WeakPolarHBondContact OD1-CD 3.11Å; D230-R261 IonicContact OD1-NE 3.41Å; D230-R261 PolarHBondContact OD1-NE 2.76Å; D230-R261 IonicContact OD2-CZ 3.37Å; D230-R261 IonicContact OD2-NE 3.54Å; D230-R261 PolarHBondContact OD2-NE 3.2Å; D230-R261 VanDerWaalsContact OD2-NE 3.1Å; D230-R261 IonicContact OD2-NH2 3.18Å; D230-R261 PolarHBondContact OD2-NH2 2.96Å; E257-R261 WeakPolarHBondContact O-CD 3.48Å; E257-R261 WeakPolarHBondContact O-CG 3.48Å; E257-R261 PolarHBondContact O-N 3.05Å; E257-R261 PolarHBondContact O-NH1 2.97Å; I258-R261 WeakPolarHBondContact O-CB 3.33Å; I258-R261 PolarHBondContact O-N 3.39Å; I258-R261 VanDerWaalsContact O-N 3.1Å; G259-R261 PolarHBondContact O-N 2.87Å; R261-K263 VanDerWaalsContact C-N 3.34Å
262L98.3Very high98.1Very high10 Ų1045.1 Ų45.15%0.05222%0.219CC..Hα-helixtrans-84.6-7.7-177.1-65.1177.4000113.8L233 V240 I258 G259 D264 H265 A267 F269L233-L262 HydrophobicContact CD1-CD2 4.22Å; L233-L262 HydrophobicContact CD2-CD2 3.71Å; V240-L262 HydrophobicContact CB-CD1 3.79Å; V240-L262 HydrophobicContact CG1-CD1 4.22Å; V240-L262 HydrophobicContact CG2-CD1 3.97Å; V240-L262 HydrophobicContact CG2-CD2 3.88Å; I258-L262 HydrophobicContact CG2-CD1 3.84Å; I258-L262 HydrophobicContact CG2-CG 4.4Å; I258-L262 WeakPolarHBondContact O-CG 3.37Å; I258-L262 PolarHBondContact O-N 3.49Å; G259-L262 PolarHBondContact O-N 3.4Å; L262-D264 VanDerWaalsContact C-N 3.26Å; L262-D264 PolarHBondContact O-N 2.73Å; L262-D264 VanDerWaalsContact O-N 3.13Å; L262-H265 HydrophobicContact CD2-CB 4.09Å; L262-H265 PolarHBondContact O-N 3.38Å; L262-A267 HydrophobicContact CD2-CB 4.33Å; L262-F269 HydrophobicContact CD1-CB 3.73Å; L262-F269 HydrophobicContact CD1-CD1 4.36Å; L262-F269 HydrophobicContact CD1-CD2 3.98Å; L262-F269 HydrophobicContact CD1-CG 3.78Å
263K96.5Very high98.1Very high169 Ų16944.1 Ų44.174%0.73521%0.214SC*.THydrogen-bonded Turntrans-51.3-41.2-174.5-175.7179.4176.6-176.90114.5G259 E260 R261G259-K263 PolarHBondContact O-N 2.97Å; E260-K263 WeakPolarHBondContact O-CB 3.28Å; R261-K263 VanDerWaalsContact C-N 3.34Å
264D95.2Very high98.1Very high156 Ų15644.3 Ų44.383%0.83422%0.216SC*.THydrogen-bonded Turntrans-108.311.6180-60.1-47.5000112.2L262L262-D264 VanDerWaalsContact C-N 3.26Å; L262-D264 PolarHBondContact O-N 2.73Å; L262-D264 VanDerWaalsContact O-N 3.13Å
265H97.9Very high98Very high41 Ų4143.4 Ų43.419%0.1921%0.209CC..SBendtrans-97.9142178.6-162.3-77.3000110.5R234 T237 L262 A267R234-H265 PolarHBondContact O-CE1 2.91Å; R234-H265 PolarHBondContact O-NE2 2.97Å; T237-H265 PolarHBondContact O-CE1 2.76Å; L262-H265 HydrophobicContact CD2-CB 4.09Å; L262-H265 PolarHBondContact O-N 3.38Å; H265-A267 VanDerWaalsContact ND1-CB 3.28Å; H265-A267 WeakPolarHBondContact ND1-CB 3.45Å; H265-A267 PolarHBondContact ND1-N 3.4Å; H265-A267 VanDerWaalsContact ND1-N 3.12Å; H265-A267 PolarHBondContact O-N 3.44Å; H265-A267 VanDerWaalsContact O-N 3.08Å
266P95.9Very high98Very high71 Ų7143.2 Ų43.246%0.46121%0.208SC..SBendtrans-70.51.9177.629.1-38.6000115.4R182R182-P266 PolarHBondContact NH2-O 3.47Å
267A98.6Very high98Very high5 Ų538 Ų384%0.04119%0.185CC..  trans-83.5137.1-17700000109.2T237 I238 V240 L262 H265T237-A267 HydrophobicContact CG2-CB 4.1Å; T237-A267 WeakPolarHBondContact O-CB 3.07Å; I238-A267 WeakPolarHBondContact O-CA 3.46Å; V240-A267 HydrophobicContact CG2-CB 4.27Å; L262-A267 HydrophobicContact CD2-CB 4.33Å; H265-A267 VanDerWaalsContact ND1-CB 3.28Å; H265-A267 WeakPolarHBondContact ND1-CB 3.45Å; H265-A267 PolarHBondContact ND1-N 3.4Å; H265-A267 VanDerWaalsContact ND1-N 3.12Å; H265-A267 PolarHBondContact O-N 3.44Å; H265-A267 VanDerWaalsContact O-N 3.08Å
268Y98.7Very high97.8Very high28 Ų2834.5 Ų34.511%0.1117%0.17CC..EExtended strand (participates in β ladder)trans-72.7151.2166.8-65.9-29000110.8T178 R182 I238 L239 V240 D290 F291 A314 Q315T178-Y268 HydrophobicContact CG2-CD2 3.75Å; T178-Y268 HydrophobicContact CG2-CE2 4.5Å; R182-Y268 VanDerWaalsContact CD-CE2 3.43Å; I238-Y268 PolarHBondContact O-N 2.82Å; L239-Y268 WeakPolarHBondContact CA-O 3.45Å; L239-Y268 WeakPolarHBondContact CD1-O 3.36Å; V240-Y268 PolarHBondContact N-O 3.25Å; Y268-D290 WeakPolarHBondContact CA-OD2 3.45Å; Y268-F291 AromaticContact CD2-CE2 3.57Å; Y268-F291 HydrophobicContact CD2-CE2 3.57Å; Y268-F291 AromaticContact CD2-CZ 3.87Å; Y268-F291 HydrophobicContact CD2-CZ 3.87Å; Y268-F291 HydrophobicContact CE2-CE2 4.4Å; Y268-F291 HydrophobicContact CE2-CZ 4.28Å; Y268-F291 AromaticContact CG-CE2 3.96Å; Y268-F291 HydrophobicContact CG-CE2 3.96Å; Y268-F291 HydrophobicContact CG-CZ 4.48Å; Y268-A314 HydrophobicContact CD1-CB 4.19Å; Y268-A314 HydrophobicContact CD2-CB 4.31Å; Y268-A314 HydrophobicContact CE1-CB 3.98Å; Y268-A314 HydrophobicContact CE2-CB 4.08Å; Y268-A314 HydrophobicContact CG-CB 4.38Å; Y268-Q315 PolarHBondContact OH-N 3.03Å
269F98.9Very high97.5Very high1 Ų134.9 Ų34.90%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-108.5113.7175.2-172.2-157.9000111.9V240 I242 I255 I258 L262 I289 D290 F291V240-F269 HydrophobicContact CG1-CD2 4.46Å; I242-F269 HydrophobicContact CB-CE2 4.36Å; I242-F269 HydrophobicContact CG1-CE2 4.43Å; I255-F269 HydrophobicContact CB-CZ 4.49Å; I255-F269 HydrophobicContact CD1-CZ 3.97Å; I255-F269 HydrophobicContact CG2-CE1 3.86Å; I255-F269 HydrophobicContact CG2-CZ 3.87Å; I255-F269 WeakPolarHBondContact O-CE1 3.24Å; I258-F269 HydrophobicContact CB-CE1 4.22Å; I258-F269 HydrophobicContact CB-CE2 4.39Å; I258-F269 HydrophobicContact CB-CZ 3.83Å; I258-F269 HydrophobicContact CG2-CD2 4.15Å; I258-F269 HydrophobicContact CG2-CE1 4.01Å; I258-F269 HydrophobicContact CG2-CE2 3.6Å; I258-F269 HydrophobicContact CG2-CZ 3.51Å; L262-F269 HydrophobicContact CD1-CB 3.73Å; L262-F269 HydrophobicContact CD1-CD1 4.36Å; L262-F269 HydrophobicContact CD1-CD2 3.98Å; L262-F269 HydrophobicContact CD1-CG 3.78Å; F269-I289 HydrophobicContact CD1-CB 4.45Å; F269-I289 HydrophobicContact CD1-CG1 3.9Å; F269-I289 HydrophobicContact CE1-CG1 3.86Å; F269-D290 PolarHBondContact N-OD2 2.76Å; F269-D290 VanDerWaalsContact N-OD2 3.08Å; F269-D290 WeakPolarHBondContact O-CA 3.45Å; F269-D290 PolarHBondContact O-N 3.49Å; F269-F291 PolarHBondContact O-N 3.14Å
270H98.9Very high97.4Very high0 Ų035.6 Ų35.60%017%0.174CC..EExtended strand (participates in β ladder)trans-104.4142.5172.7170.6-107.7000111.4D171 A174 L239 V240 S241 I242 F291 S293D171-H270 IonicContact OD1-CE1 3.46Å; D171-H270 PolarHBondContact OD1-CE1 3.03Å; D171-H270 IonicContact OD1-NE2 3.68Å; D171-H270 PolarHBondContact OD1-NE2 2.82Å; A174-H270 VanDerWaalsContact CB-CD2 3.44Å; A174-H270 WeakPolarHBondContact CB-CD2 3.38Å; L239-H270 HydrophobicContact CD1-CB 3.94Å; V240-H270 PolarHBondContact O-N 3.3Å; S241-H270 WeakPolarHBondContact CA-O 3.36Å; S241-H270 PolarHBondContact OG-ND1 3.32Å; I242-H270 PolarHBondContact N-O 2.84Å; H270-F291 CarbonylContact C-O 3.59Å; H270-F291 WeakPolarHBondContact CA-O 3.23Å; H270-F291 HydrophobicContact CB-CB 4.06Å; H270-F291 HydrophobicContact CB-CD2 4.38Å; H270-S293 PolarHBondContact NE2-OG 3.39Å; H270-S293 VanDerWaalsContact NE2-OG 3.15Å
271T98.8Very high97.2Very high0 Ų034.3 Ų34.30%017%0.167CC..EExtended strand (participates in β ladder)trans-136.6129.4168-167.10000112.6I242 Y244 A273 I289 F291 L292 S293I242-T271 VanDerWaalsContact O-CA 3.27Å; I242-T271 WeakPolarHBondContact O-CA 3.26Å; I242-T271 VanDerWaalsContact O-CB 3.23Å; I242-T271 WeakPolarHBondContact O-CB 3.28Å; I242-T271 PolarHBondContact O-OG1 3.42Å; Y244-T271 HydrophobicContact CD2-CG2 4.37Å; Y244-T271 PolarHBondContact N-OG1 3.01Å; Y244-T271 VanDerWaalsContact N-OG1 3.11Å; T271-A273 HydrophobicContact CG2-CB 4.5Å; T271-A273 PolarHBondContact O-N 3.19Å; T271-I289 HydrophobicContact CG2-CD1 3.7Å; T271-I289 HydrophobicContact CG2-CG1 4.18Å; T271-I289 HydrophobicContact CG2-CG2 4.05Å; T271-F291 PolarHBondContact N-O 2.93Å; T271-L292 HydrophobicContact CG2-CB 4.09Å; T271-L292 HydrophobicContact CG2-CD1 3.84Å; T271-L292 HydrophobicContact CG2-CG 4.09Å; T271-L292 WeakPolarHBondContact O-CA 3.27Å; T271-S293 PolarHBondContact O-N 2.76Å; T271-S293 VanDerWaalsContact O-N 3.16Å
272D98.8Very high97.1Very high7 Ų730.6 Ų30.64%0.03715%0.153CC..EExtended strand (participates in β ladder)trans-74.5106.5162.7176.9-17.4000107.8M243 Y244 V274M243-D272 CarbonylContact C-O 3.43Å; M243-D272 WeakPolarHBondContact CA-O 3.26Å; M243-D272 HydrophobicContact CB-CB 4.11Å; Y244-D272 PolarHBondContact N-O 3.14Å; D272-V274 WeakPolarHBondContact OD1-CB 3.46Å; D272-V274 WeakPolarHBondContact OD1-CG2 3.41Å; D272-V274 PolarHBondContact OD1-N 3.28Å
273A98.5Very high97.1Very high0 Ų032.2 Ų32.20%016%0.159CC..  trans-104.313.4177.400000112.8Y244 T271 Q275 A276 Y277 I282 L292 S293 I294Y244-A273 HydrophobicContact CD2-CB 4.42Å; Y244-A273 HydrophobicContact CG-CB 4.42Å; T271-A273 HydrophobicContact CG2-CB 4.5Å; T271-A273 PolarHBondContact O-N 3.19Å; A273-Q275 VanDerWaalsContact C-N 3.26Å; A273-Q275 PolarHBondContact O-N 2.83Å; A273-A276 PolarHBondContact O-N 3.46Å; A273-Y277 VanDerWaalsContact O-CB 3.24Å; A273-Y277 WeakPolarHBondContact O-CB 3.04Å; A273-Y277 PolarHBondContact O-N 3.13Å; A273-I282 HydrophobicContact CB-CD1 3.89Å; A273-L292 HydrophobicContact CB-CD1 3.67Å; A273-L292 HydrophobicContact CB-CD2 4.3Å; A273-L292 HydrophobicContact CB-CG 3.77Å; A273-S293 PolarHBondContact N-O 2.99Å; A273-S293 VanDerWaalsContact N-O 3.16Å; A273-I294 HydrophobicContact CB-CD1 3.64Å; A273-I294 WeakPolarHBondContact O-CD1 3.24Å
274V98.1Very high97.2Very high14 Ų1424.2 Ų24.29%0.08512%0.124CC..THydrogen-bonded Turntrans-53.6-43-173.6169.20000111.8D272 S293 K298D272-V274 WeakPolarHBondContact OD1-CB 3.46Å; D272-V274 WeakPolarHBondContact OD1-CG2 3.41Å; D272-V274 PolarHBondContact OD1-N 3.28Å; V274-S293 PolarHBondContact N-O 3.05Å; V274-K298 HydrophobicContact CG1-CB 4.2Å; V274-K298 HydrophobicContact CG1-CG 3.4Å; V274-K298 VanDerWaalsContact CG1-CG 3.4Å; V274-K298 WeakPolarHBondContact O-CB 3.17Å
275Q96.9Very high97.4Very high10 Ų1021 Ų215%0.04710%0.104CC..THydrogen-bonded Turntrans-84.9-24.2-179.8-160.6651600113.6N247 A273 L389 H391 V392N247-Q275 HydrophobicContact CB-CB 4.32Å; N247-Q275 HydrophobicContact CB-CG 4.19Å; A273-Q275 VanDerWaalsContact C-N 3.26Å; A273-Q275 PolarHBondContact O-N 2.83Å; Q275-L389 HydrophobicContact CB-CD1 4.16Å; Q275-L389 HydrophobicContact CG-CD1 3.85Å; Q275-H391 PolarHBondContact NE2-NE2 3.41Å; Q275-H391 PolarHBondContact O-CE1 3.33Å; Q275-H391 VanDerWaalsContact O-CE1 3.24Å; Q275-H391 PolarHBondContact O-NE2 3.02Å; Q275-V392 HydrophobicContact CG-CG2 4.5Å
276A97.7Very high97.4Very high0 Ų026.1 Ų26.10%013%0.127CC..THydrogen-bonded Turntrans-87.1-34.5-175.500000113Y244 A273 G278 N279 Q280 I282 L389Y244-A276 HydrophobicContact CD1-CB 3.32Å; Y244-A276 HydrophobicContact CE1-CB 4.13Å; Y244-A276 HydrophobicContact CG-CB 3.74Å; A273-A276 PolarHBondContact O-N 3.46Å; A276-G278 PolarHBondContact O-N 3.26Å; A276-N279 PolarHBondContact O-N 3.22Å; A276-Q280 HydrophobicContact CB-CB 4.42Å; A276-Q280 HydrophobicContact CB-CG 4.06Å; A276-Q280 WeakPolarHBondContact O-CB 3.46Å; A276-Q280 PolarHBondContact O-N 2.71Å; A276-I282 HydrophobicContact CB-CD1 4.44Å; A276-L389 HydrophobicContact CB-CD2 4.04Å
277Y97.6Very high97.5Very high2 Ų223.8 Ų23.81%0.00811%0.111CC..THydrogen-bonded Turntrans-64-17.5-168.5-177-105.7000115.3S153 L154 A273 I282 I294 I299 F307 V346 R354S153-Y277 PolarHBondContact OG-OH 2.92Å; L154-Y277 HydrophobicContact CD2-CD2 4.25Å; L154-Y277 HydrophobicContact CD2-CE2 3.62Å; L154-Y277 HydrophobicContact CG-CE2 4.06Å; A273-Y277 VanDerWaalsContact O-CB 3.24Å; A273-Y277 WeakPolarHBondContact O-CB 3.04Å; A273-Y277 PolarHBondContact O-N 3.13Å; Y277-I282 HydrophobicContact CD2-CD1 4.34Å; Y277-I294 HydrophobicContact CD1-CD1 3.98Å; Y277-I294 HydrophobicContact CD1-CG1 4.26Å; Y277-I294 HydrophobicContact CD1-CG2 3.67Å; Y277-I294 HydrophobicContact CD2-CD1 3.8Å; Y277-I294 HydrophobicContact CD2-CG1 4.27Å; Y277-I294 HydrophobicContact CE1-CG2 4.05Å; Y277-I294 HydrophobicContact CG-CD1 3.4Å; Y277-I294 VanDerWaalsContact CG-CD1 3.4Å; Y277-I294 HydrophobicContact CG-CG1 4.04Å; Y277-I294 HydrophobicContact CG-CG2 4.23Å; Y277-I299 HydrophobicContact CD1-CD1 4.02Å; Y277-I299 HydrophobicContact CD1-CG2 4.03Å; Y277-I299 HydrophobicContact CE1-CD1 3.88Å; Y277-F307 HydrophobicContact CE1-CE1 4.27Å; Y277-F307 HydrophobicContact CE1-CZ 4.18Å; Y277-F307 HydrophobicContact CE2-CZ 4.32Å; Y277-F307 AromaticContact CZ-CZ 3.87Å; Y277-V346 HydrophobicContact CE1-CG2 4.05Å; Y277-R354 PolarHBondContact O-NH1 3.45Å; Y277-R354 PolarHBondContact O-NH2 3.41Å
278G95.3Very high97.5Very high5 Ų525.1 Ų25.15%0.05213%0.125CC..THydrogen-bonded Turntrans-76.2-24171.900000114.4A276 R354A276-G278 PolarHBondContact O-N 3.26Å; G278-R354 VanDerWaalsContact C-NH1 3.34Å; G278-R354 PolarHBondContact O-NH1 2.8Å
279N93.2Very high97.5Very high9 Ų923.9 Ų23.95%0.04812%0.121CC..THydrogen-bonded Turntrans-127.4-13.5-169.6-64.9-55.5000113.7A276 R358 P390 H391A276-N279 PolarHBondContact O-N 3.22Å; N279-R358 PolarHBondContact O-NH2 2.95Å; N279-P390 HydrophobicContact CB-CG 4.43Å; N279-H391 PolarHBondContact ND2-CE1 3.24Å; N279-H391 VanDerWaalsContact ND2-CG 3.32Å; N279-H391 PolarHBondContact ND2-ND1 3.35Å
280Q95.1Very high97.5Very high19 Ų1925 Ų259%0.08913%0.126CC..SBendtrans-109140.2178.8-58.2-53.5-40.800111.2Y244 L252 A276 I282 R354 L389Y244-Q280 HydrophobicContact CD1-CG 4.5Å; Y244-Q280 HydrophobicContact CE1-CB 4.06Å; Y244-Q280 HydrophobicContact CE1-CG 3.96Å; L252-Q280 HydrophobicContact CD2-CG 4.08Å; A276-Q280 HydrophobicContact CB-CB 4.42Å; A276-Q280 HydrophobicContact CB-CG 4.06Å; A276-Q280 WeakPolarHBondContact O-CB 3.46Å; A276-Q280 PolarHBondContact O-N 2.71Å; Q280-I282 HydrophobicContact CB-CD1 4.37Å; Q280-I282 HydrophobicContact CB-CG1 4.09Å; Q280-R354 PolarHBondContact O-NH1 2.93Å; Q280-L389 HydrophobicContact CG-CD2 3.85Å
281F93.7Very high97.5Very high92 Ų9225 Ų2540%0.40413%0.126SC..  trans-82.4118169.3-174.3-102.9000108.9R283 E351F281-R283 HydrophobicContact CD1-CG 4.14Å; F281-R283 HydrophobicContact CE1-CG 3.58Å; F281-R283 VanDerWaalsContact CE2-CZ 3.45Å; F281-R283 HydrophobicContact CZ-CG 4.23Å; F281-E351 HydrophobicContact CD2-CG 3.98Å; F281-E351 HydrophobicContact CE2-CG 3.83Å; F281-E351 WeakPolarHBondContact CE2-OE1 3.22Å; F281-E351 WeakPolarHBondContact CZ-OE1 2.95Å
282I97.3Very high97.5Very high4 Ų425 Ų252%0.02113%0.126CC..  trans-121128-171.9-55.8179.4000109.4L154 Y244 A273 A276 Y277 Q280 P284 L287 L292L154-I282 HydrophobicContact CD2-CB 4.2Å; L154-I282 HydrophobicContact CD2-CG2 4.33Å; Y244-I282 HydrophobicContact CD2-CD1 3.88Å; Y244-I282 HydrophobicContact CD2-CG1 4.48Å; Y244-I282 HydrophobicContact CE1-CD1 4.45Å; Y244-I282 HydrophobicContact CE2-CD1 3.77Å; Y244-I282 HydrophobicContact CE2-CG1 3.85Å; Y244-I282 HydrophobicContact CE2-CG2 4.13Å; Y244-I282 HydrophobicContact CG-CD1 4.28Å; A273-I282 HydrophobicContact CB-CD1 3.89Å; A276-I282 HydrophobicContact CB-CD1 4.44Å; Y277-I282 HydrophobicContact CD2-CD1 4.34Å; Q280-I282 HydrophobicContact CB-CD1 4.37Å; Q280-I282 HydrophobicContact CB-CG1 4.09Å; I282-P284 HydrophobicContact CG2-CG 4.46Å; I282-L287 HydrophobicContact CG2-CD1 3.88Å; I282-L292 HydrophobicContact CD1-CD1 4.42Å; I282-L292 HydrophobicContact CG2-CD1 3.63Å
283R98.2Very high97.5Very high44 Ų4424.6 Ų24.617%0.16613%0.125CC..  trans-124.590176.6-69.4-74.8171-96.212.1108.3S153 L154 F281 H285 E286 L287S153-R283 PolarHBondContact O-NH1 2.72Å; L154-R283 WeakPolarHBondContact O-CD 3.41Å; L154-R283 PolarHBondContact O-NH1 2.89Å; F281-R283 HydrophobicContact CD1-CG 4.14Å; F281-R283 HydrophobicContact CE1-CG 3.58Å; F281-R283 VanDerWaalsContact CE2-CZ 3.45Å; F281-R283 HydrophobicContact CZ-CG 4.23Å; R283-H285 VanDerWaalsContact C-N 3.32Å; R283-H285 PolarHBondContact O-N 3.46Å; R283-E286 HydrophobicContact CB-CB 3.93Å; R283-E286 HydrophobicContact CB-CG 3.92Å; R283-E286 PolarHBondContact O-N 2.88Å; R283-L287 WeakPolarHBondContact O-CG 3.33Å; R283-L287 PolarHBondContact O-N 3.12Å; R283-L287 VanDerWaalsContact O-N 3.1Å
284P98.7Very high97.5Very high0 Ų024.6 Ų24.60%013%0.125CC..THydrogen-bonded Turntrans-55-43.6-168-28.435.7000114.1L154 V156 I282 E286 L287 G288 I289 L292 F309L154-P284 HydrophobicContact CB-CG 4.35Å; L154-P284 HydrophobicContact CD1-CG 4.46Å; L154-P284 HydrophobicContact CD2-CG 3.99Å; L154-P284 VanDerWaalsContact O-CD 3.28Å; L154-P284 WeakPolarHBondContact O-CD 3.28Å; V156-P284 HydrophobicContact CG1-CB 4.41Å; V156-P284 HydrophobicContact CG1-CG 4.08Å; I282-P284 HydrophobicContact CG2-CG 4.46Å; P284-E286 VanDerWaalsContact C-N 3.33Å; P284-E286 PolarHBondContact O-N 3.1Å; P284-L287 CarbonylContact O-C 3.47Å; P284-L287 PolarHBondContact O-N 3.13Å; P284-G288 PolarHBondContact O-N 3.05Å; P284-G288 VanDerWaalsContact O-N 3.09Å; P284-I289 HydrophobicContact CB-CB 4.15Å; P284-I289 PolarHBondContact O-N 3.28Å; P284-L292 HydrophobicContact CG-CD1 4.47Å; P284-F309 HydrophobicContact CB-CD1 3.65Å; P284-F309 HydrophobicContact CB-CE1 3.27Å; P284-F309 HydrophobicContact CB-CE2 4.29Å; P284-F309 HydrophobicContact CB-CG 4.3Å; P284-F309 HydrophobicContact CB-CZ 3.62Å; P284-F309 HydrophobicContact CG-CD1 3.99Å; P284-F309 HydrophobicContact CG-CE1 4.08Å; P284-F309 HydrophobicContact CG-CG 4.22Å; P284-F309 HydrophobicContact CG-CZ 4.37Å
285H98.4Very high97.5Very high89 Ų8924.2 Ų24.241%0.41212%0.122SC..THydrogen-bonded Turntrans-63.2-35.8178.3-70.9-52.4000113.4E160 R283 L287 F309E160-H285 IonicContact OE1-CE1 3.45Å; E160-H285 PolarHBondContact OE1-CE1 3.09Å; E160-H285 IonicContact OE1-NE2 3.41Å; E160-H285 PolarHBondContact OE1-NE2 2.94Å; E160-H285 IonicContact OE2-CE1 3.89Å; E160-H285 IonicContact OE2-NE2 2.72Å; E160-H285 PolarHBondContact OE2-NE2 3.42Å; R283-H285 VanDerWaalsContact C-N 3.32Å; R283-H285 PolarHBondContact O-N 3.46Å; H285-L287 VanDerWaalsContact C-N 3.34Å; H285-F309 AromaticContact CE1-CZ 3.87Å
286E98Very high97.6Very high148 Ų14823.7 Ų23.769%0.69212%0.12SC*.THydrogen-bonded Turntrans-73.9-29.2177.7-64.7175.3-152.900112.1R283 P284R283-E286 HydrophobicContact CB-CB 3.93Å; R283-E286 HydrophobicContact CB-CG 3.92Å; R283-E286 PolarHBondContact O-N 2.88Å; P284-E286 VanDerWaalsContact C-N 3.33Å; P284-E286 PolarHBondContact O-N 3.1Å
287L98.4Very high97.6Very high23 Ų2325.6 Ų25.612%0.1213%0.129CC..THydrogen-bonded Turntrans-89.1-0.3178.6-64.1174.3000113.2Y244 I255 K256 G259 I282 R283 P284 H285 I289Y244-L287 HydrophobicContact CE2-CD1 3.92Å; I255-L287 HydrophobicContact CG2-CB 4.42Å; I255-L287 HydrophobicContact CG2-CD1 4.33Å; K256-L287 HydrophobicContact CB-CD2 3.73Å; K256-L287 HydrophobicContact CG-CD2 4.08Å; G259-L287 WeakPolarHBondContact CA-O 3.49Å; I282-L287 HydrophobicContact CG2-CD1 3.88Å; R283-L287 WeakPolarHBondContact O-CG 3.33Å; R283-L287 PolarHBondContact O-N 3.12Å; R283-L287 VanDerWaalsContact O-N 3.1Å; P284-L287 CarbonylContact O-C 3.47Å; P284-L287 PolarHBondContact O-N 3.13Å; H285-L287 VanDerWaalsContact C-N 3.34Å; L287-I289 HydrophobicContact CB-CD1 3.68Å; L287-I289 HydrophobicContact CB-CG1 3.91Å; L287-I289 HydrophobicContact CD1-CD1 3.78Å; L287-I289 HydrophobicContact CG-CD1 4.4Å; L287-I289 PolarHBondContact O-N 3.26Å
288G98.2Very high97.5Very high33 Ų3327.2 Ų27.234%0.3414%0.136SC..THydrogen-bonded Turntrans68.520.5-177.900000114.3P284P284-G288 PolarHBondContact O-N 3.05Å; P284-G288 VanDerWaalsContact O-N 3.09Å
289I98.8Very high97.6Very high2 Ų227 Ų271%0.0113%0.133CC..  trans-80.7134.1-179.2-63.7162.2000109.7I255 F269 T271 P284 L287 F291 L292 F309I255-I289 HydrophobicContact CG2-CD1 3.79Å; I255-I289 HydrophobicContact CG2-CG1 4.1Å; F269-I289 HydrophobicContact CD1-CB 4.45Å; F269-I289 HydrophobicContact CD1-CG1 3.9Å; F269-I289 HydrophobicContact CE1-CG1 3.86Å; T271-I289 HydrophobicContact CG2-CD1 3.7Å; T271-I289 HydrophobicContact CG2-CG1 4.18Å; T271-I289 HydrophobicContact CG2-CG2 4.05Å; P284-I289 HydrophobicContact CB-CB 4.15Å; P284-I289 PolarHBondContact O-N 3.28Å; L287-I289 HydrophobicContact CB-CD1 3.68Å; L287-I289 HydrophobicContact CB-CG1 3.91Å; L287-I289 HydrophobicContact CD1-CD1 3.78Å; L287-I289 HydrophobicContact CG-CD1 4.4Å; L287-I289 PolarHBondContact O-N 3.26Å; I289-F291 WeakPolarHBondContact CG2-O 3.48Å; I289-L292 HydrophobicContact CD1-CD1 4.34Å; I289-L292 HydrophobicContact CG2-CB 4.02Å; I289-F309 HydrophobicContact CG2-CD1 4.5Å; I289-F309 HydrophobicContact CG2-CE1 4.46Å; I289-F309 WeakPolarHBondContact O-CE1 3.47Å
290D98.8Very high97.8Very high23 Ų2326.8 Ų26.812%0.12313%0.132CC..SBendtrans-95.3-34.6172.4-71.5-56.2000112.8Y268 F269 K310 S311 A314Y268-D290 WeakPolarHBondContact CA-OD2 3.45Å; F269-D290 PolarHBondContact N-OD2 2.76Å; F269-D290 VanDerWaalsContact N-OD2 3.08Å; F269-D290 WeakPolarHBondContact O-CA 3.45Å; F269-D290 PolarHBondContact O-N 3.49Å; D290-K310 CarbonylContact O-C 3.05Å; D290-K310 WeakPolarHBondContact O-CA 3.22Å; D290-S311 PolarHBondContact O-N 2.86Å; D290-S311 PolarHBondContact OD1-OG 2.94Å; D290-A314 HydrophobicContact CB-CB 4.03Å
291F98.9Very high97.9Very high0 Ų026 Ų260%013%0.13CC..EExtended strand (participates in β ladder)trans-133.6133.6180-55.3-61000111.6A174 T178 Y268 F269 H270 T271 I289 L308 F309 K310 A314 L316A174-F291 HydrophobicContact CB-CB 3.9Å; A174-F291 HydrophobicContact CB-CD2 4.27Å; A174-F291 HydrophobicContact CB-CG 4.06Å; T178-F291 VanDerWaalsContact OG1-CE2 3.3Å; T178-F291 WeakPolarHBondContact OG1-CE2 3.46Å; Y268-F291 AromaticContact CD2-CE2 3.57Å; Y268-F291 HydrophobicContact CD2-CE2 3.57Å; Y268-F291 AromaticContact CD2-CZ 3.87Å; Y268-F291 HydrophobicContact CD2-CZ 3.87Å; Y268-F291 HydrophobicContact CE2-CE2 4.4Å; Y268-F291 HydrophobicContact CE2-CZ 4.28Å; Y268-F291 AromaticContact CG-CE2 3.96Å; Y268-F291 HydrophobicContact CG-CE2 3.96Å; Y268-F291 HydrophobicContact CG-CZ 4.48Å; F269-F291 PolarHBondContact O-N 3.14Å; H270-F291 CarbonylContact C-O 3.59Å; H270-F291 WeakPolarHBondContact CA-O 3.23Å; H270-F291 HydrophobicContact CB-CB 4.06Å; H270-F291 HydrophobicContact CB-CD2 4.38Å; T271-F291 PolarHBondContact N-O 2.93Å; I289-F291 WeakPolarHBondContact CG2-O 3.48Å; F291-L308 HydrophobicContact CB-CD1 4.17Å; F291-F309 VanDerWaalsContact CA-O 3.26Å; F291-F309 WeakPolarHBondContact CA-O 3.35Å; F291-K310 HydrophobicContact CD1-CB 4.07Å; F291-K310 HydrophobicContact CD1-CG 4.04Å; F291-K310 HydrophobicContact CE1-CB 4.19Å; F291-K310 HydrophobicContact CE1-CG 3.63Å; F291-A314 HydrophobicContact CE1-CB 3.72Å; F291-A314 HydrophobicContact CE2-CB 4.28Å; F291-A314 HydrophobicContact CZ-CB 3.52Å; F291-L316 HydrophobicContact CD1-CD2 4.24Å; F291-L316 HydrophobicContact CE1-CB 4.02Å; F291-L316 HydrophobicContact CE1-CD1 3.99Å; F291-L316 HydrophobicContact CE1-CD2 3.84Å; F291-L316 HydrophobicContact CE1-CG 4.18Å; F291-L316 HydrophobicContact CZ-CB 4.26Å; F291-L316 HydrophobicContact CZ-CD1 3.85Å; F291-L316 HydrophobicContact CZ-CG 4.45Å
292L98.9Very high98.1Very high0 Ų021.9 Ų21.90%011%0.112CC..EExtended strand (participates in β ladder)trans-139.2123.3176171.6150.8000111.5L154 T271 A273 I282 P284 I289 I294 F307 L308 F309L154-L292 HydrophobicContact CD1-CD2 4.33Å; T271-L292 HydrophobicContact CG2-CB 4.09Å; T271-L292 HydrophobicContact CG2-CD1 3.84Å; T271-L292 HydrophobicContact CG2-CG 4.09Å; T271-L292 WeakPolarHBondContact O-CA 3.27Å; A273-L292 HydrophobicContact CB-CD1 3.67Å; A273-L292 HydrophobicContact CB-CD2 4.3Å; A273-L292 HydrophobicContact CB-CG 3.77Å; I282-L292 HydrophobicContact CD1-CD1 4.42Å; I282-L292 HydrophobicContact CG2-CD1 3.63Å; P284-L292 HydrophobicContact CG-CD1 4.47Å; I289-L292 HydrophobicContact CD1-CD1 4.34Å; I289-L292 HydrophobicContact CG2-CB 4.02Å; L292-I294 HydrophobicContact CD2-CD1 3.74Å; L292-I294 HydrophobicContact CD2-CG1 3.48Å; L292-I294 VanDerWaalsContact CD2-CG1 3.48Å; L292-F307 HydrophobicContact CD2-CE2 4.3Å; L292-L308 CarbonylContact O-C 3.43Å; L292-L308 WeakPolarHBondContact O-CA 3.44Å; L292-F309 HydrophobicContact CB-CB 4.11Å; L292-F309 HydrophobicContact CB-CD1 4.05Å; L292-F309 HydrophobicContact CD2-CB 4.39Å; L292-F309 PolarHBondContact N-O 3.17Å; L292-F309 PolarHBondContact O-N 3.01Å
293S98.9Very high98.1Very high0 Ų028.5 Ų28.50%014%0.141CC..EExtended strand (participates in β ladder)trans-102.2132.8-175.5-62.70000111.6D171 H270 T271 A273 V274D171-S293 PolarHBondContact N-OG 3Å; D171-S293 VanDerWaalsContact N-OG 3.11Å; D171-S293 WeakPolarHBondContact OD1-CB 3.42Å; D171-S293 PolarHBondContact OD1-OG 3.28Å; D171-S293 VanDerWaalsContact OD1-OG 3.05Å; H270-S293 PolarHBondContact NE2-OG 3.39Å; H270-S293 VanDerWaalsContact NE2-OG 3.15Å; T271-S293 PolarHBondContact O-N 2.76Å; T271-S293 VanDerWaalsContact O-N 3.16Å; A273-S293 PolarHBondContact N-O 2.99Å; A273-S293 VanDerWaalsContact N-O 3.16Å; V274-S293 PolarHBondContact N-O 3.05Å
294I98.6Very high98.1Very high0 Ų028.6 Ų28.60%016%0.155CC..EExtended strand (participates in β ladder)trans-132.6147.8-179.7-60.6-60.3000111.2A273 Y277 L292 G306 F307A273-I294 HydrophobicContact CB-CD1 3.64Å; A273-I294 WeakPolarHBondContact O-CD1 3.24Å; Y277-I294 HydrophobicContact CD1-CD1 3.98Å; Y277-I294 HydrophobicContact CD1-CG1 4.26Å; Y277-I294 HydrophobicContact CD1-CG2 3.67Å; Y277-I294 HydrophobicContact CD2-CD1 3.8Å; Y277-I294 HydrophobicContact CD2-CG1 4.27Å; Y277-I294 HydrophobicContact CE1-CG2 4.05Å; Y277-I294 HydrophobicContact CG-CD1 3.4Å; Y277-I294 VanDerWaalsContact CG-CD1 3.4Å; Y277-I294 HydrophobicContact CG-CG1 4.04Å; Y277-I294 HydrophobicContact CG-CG2 4.23Å; L292-I294 HydrophobicContact CD2-CD1 3.74Å; L292-I294 HydrophobicContact CD2-CG1 3.48Å; L292-I294 VanDerWaalsContact CD2-CG1 3.48Å; I294-G306 WeakPolarHBondContact O-CA 3.35Å; I294-F307 HydrophobicContact CB-CD1 3.99Å; I294-F307 HydrophobicContact CB-CD2 4.32Å; I294-F307 HydrophobicContact CB-CE1 3.62Å; I294-F307 HydrophobicContact CB-CE2 3.96Å; I294-F307 HydrophobicContact CB-CG 4.33Å; I294-F307 HydrophobicContact CB-CZ 3.62Å; I294-F307 HydrophobicContact CG1-CD2 4.39Å; I294-F307 HydrophobicContact CG1-CE1 3.97Å; I294-F307 HydrophobicContact CG1-CE2 3.64Å; I294-F307 HydrophobicContact CG1-CZ 3.42Å; I294-F307 VanDerWaalsContact CG1-CZ 3.42Å; I294-F307 HydrophobicContact CG2-CD1 4.11Å; I294-F307 HydrophobicContact CG2-CE1 3.53Å; I294-F307 HydrophobicContact CG2-CZ 3.88Å; I294-F307 PolarHBondContact N-O 3.19Å; I294-F307 PolarHBondContact O-N 2.65Å; I294-F307 VanDerWaalsContact O-N 3.08Å
295S98.4Very high98.1Very high5 Ų528.6 Ų28.64%0.03516%0.155CC..EExtended strand (participates in β ladder)trans-126.7134.1170.8-158.30000112.1H297 K298S295-H297 PolarHBondContact O-N 2.95Å; S295-H297 PolarHBondContact OG-CD2 2.94Å; S295-K298 PolarHBondContact O-N 2.94Å
296A98.6Very high98.1Very high0 Ų024.4 Ų24.40%014%0.135CC..G310 helixtrans-66.4-34.3-172.200000113.7K298 I299 G301 P302 V305 M342A296-K298 PolarHBondContact O-N 3.29Å; A296-K298 VanDerWaalsContact O-N 3.1Å; A296-I299 CarbonylContact O-C 3.22Å; A296-I299 WeakPolarHBondContact O-CG1 3.42Å; A296-I299 PolarHBondContact O-N 3.36Å; A296-G301 VanDerWaalsContact O-CA 3.26Å; A296-G301 WeakPolarHBondContact O-CA 3.41Å; A296-G301 PolarHBondContact O-N 2.81Å; A296-P302 VanDerWaalsContact CB-O 3.28Å; A296-P302 WeakPolarHBondContact CB-O 3.47Å; A296-V305 HydrophobicContact CB-CG1 3.64Å; A296-V305 PolarHBondContact N-O 3.13Å; A296-V305 VanDerWaalsContact N-O 3.13Å; A296-M342 HydrophobicContact CB-CB 3.73Å; A296-M342 HydrophobicContact CB-CG 3.6Å; A296-M342 HydrophobicContact CB-SD 3.76Å
297H97.3Very high98.1Very high40 Ų4017.3 Ų17.319%0.18510%0.102CC..G310 helixtrans-71.3-5.5-176.276.5101.6000115.1T107 S108 S295 G301 P302 K303T107-H297 PolarHBondContact OG1-ND1 3.44Å; T107-H297 VanDerWaalsContact OG1-ND1 3.12Å; S108-H297 PolarHBondContact N-O 3.09Å; S295-H297 PolarHBondContact O-N 2.95Å; S295-H297 PolarHBondContact OG-CD2 2.94Å; H297-G301 WeakPolarHBondContact CA-O 3.17Å; H297-P302 PolarHBondContact N-O 3.38Å; H297-K303 HydrophobicContact CB-CB 4.36Å; H297-K303 HydrophobicContact CB-CG 3.58Å
298K96Very high98.2Very high35 Ų3516.3 Ų16.315%0.15210%0.097CC..G310 helixtrans-91-9.7168.9-60.4-48.5-168.484.90113.7A105 A106 V274 S295 A296A105-K298 WeakPolarHBondContact O-CE 3.34Å; A105-K298 PolarHBondContact O-NZ 3.32Å; A106-K298 WeakPolarHBondContact O-CE 3.44Å; V274-K298 HydrophobicContact CG1-CB 4.2Å; V274-K298 HydrophobicContact CG1-CG 3.4Å; V274-K298 VanDerWaalsContact CG1-CG 3.4Å; V274-K298 WeakPolarHBondContact O-CB 3.17Å; S295-K298 PolarHBondContact O-N 2.94Å; A296-K298 PolarHBondContact O-N 3.29Å; A296-K298 VanDerWaalsContact O-N 3.1Å
299I96.9Very high98.2Very high1 Ų114.8 Ų14.81%0.0058%0.081CC..THydrogen-bonded Turntrans-121.132.8-17958.7166.7000112Y277 A296 G301 A345 V346 L349Y277-I299 HydrophobicContact CD1-CD1 4.02Å; Y277-I299 HydrophobicContact CD1-CG2 4.03Å; Y277-I299 HydrophobicContact CE1-CD1 3.88Å; A296-I299 CarbonylContact O-C 3.22Å; A296-I299 WeakPolarHBondContact O-CG1 3.42Å; A296-I299 PolarHBondContact O-N 3.36Å; I299-G301 PolarHBondContact O-N 2.93Å; I299-A345 HydrophobicContact CD1-CB 4.48Å; I299-A345 HydrophobicContact CG1-CB 4.48Å; I299-V346 HydrophobicContact CD1-CG2 3.75Å; I299-L349 HydrophobicContact CB-CD1 3.73Å; I299-L349 HydrophobicContact CD1-CD1 4.26Å; I299-L349 HydrophobicContact CG2-CD1 3.84Å
300N97.3Very high98.2Very high5 Ų516.3 Ų16.33%0.0279%0.088CC..THydrogen-bonded Turntrans63.817.5-178-49.5109.1000114.7S108 P109 M110 H111 R357 Y454S108-N300 PolarHBondContact OG-ND2 2.94Å; P109-N300 WeakPolarHBondContact O-CA 3.07Å; P109-N300 PolarHBondContact O-ND2 2.7Å; M110-N300 WeakPolarHBondContact CA-O 3.11Å; M110-N300 WeakPolarHBondContact CG-O 3.48Å; H111-N300 HydrophobicContact CB-CB 4.15Å; H111-N300 PolarHBondContact N-O 2.81Å; N300-R357 PolarHBondContact OD1-NH1 3.05Å; N300-Y454 WeakPolarHBondContact ND2-CB 3.25Å
301G98.3Very high98.1Very high3 Ų315.2 Ų15.23%0.0318%0.082CC..  trans-92.6-176.1171.300000113.3A296 H297 I299A296-G301 VanDerWaalsContact O-CA 3.26Å; A296-G301 WeakPolarHBondContact O-CA 3.41Å; A296-G301 PolarHBondContact O-N 2.81Å; H297-G301 WeakPolarHBondContact CA-O 3.17Å; I299-G301 PolarHBondContact O-N 2.93Å
302P98.3Very high98.1Very high4 Ų418.8 Ų18.83%0.02610%0.101CC..  trans-73.1156.3179.125.2-30000114.4M110 M118 A296 H297 V305 G338M110-P302 HydrophobicContact CE-CB 3.85Å; M118-P302 HydrophobicContact CE-CB 3.76Å; M118-P302 HydrophobicContact CE-CG 4.1Å; M118-P302 HydrophobicContact SD-CB 3.59Å; M118-P302 VanDerWaalsContact SD-CB 3.59Å; M118-P302 HydrophobicContact SD-CG 3.63Å; A296-P302 VanDerWaalsContact CB-O 3.28Å; A296-P302 WeakPolarHBondContact CB-O 3.47Å; H297-P302 PolarHBondContact N-O 3.38Å; P302-V305 HydrophobicContact CB-CG1 4.47Å; P302-V305 HydrophobicContact CG-CG1 3.74Å; P302-G338 WeakPolarHBondContact CG-O 3.46Å
303K97.4Very high97.9Very high144 Ų14427.2 Ų27.263%0.62614%0.138SC*.SBendtrans-76.2157.5167.1-64.9170.2-175.5166.70110T107 H297 V305T107-K303 VanDerWaalsContact OG1-CE 3.28Å; T107-K303 WeakPolarHBondContact OG1-CE 3.09Å; H297-K303 HydrophobicContact CB-CB 4.36Å; H297-K303 HydrophobicContact CB-CG 3.58Å; K303-V305 VanDerWaalsContact C-N 3.32Å
304G97Very high97.8Very high45 Ų4527.2 Ų27.246%0.46414%0.138SC..SBendtrans75.120.4176.300000114.3S165 N335S165-G304 CarbonylContact O-C 3.52Å; S165-G304 WeakPolarHBondContact O-CA 3.32Å; G304-N335 PolarHBondContact O-ND2 2.81Å
305V98.6Very high97.6Very high1 Ų134.5 Ų34.51%0.00617%0.172CC..  trans-145.8145.5169.2700000110.5N164 S165 A296 P302 K303 I339 M342N164-V305 WeakPolarHBondContact O-CA 3.41Å; S165-V305 PolarHBondContact O-N 2.98Å; A296-V305 HydrophobicContact CB-CG1 3.64Å; A296-V305 PolarHBondContact N-O 3.13Å; A296-V305 VanDerWaalsContact N-O 3.13Å; P302-V305 HydrophobicContact CB-CG1 4.47Å; P302-V305 HydrophobicContact CG-CG1 3.74Å; K303-V305 VanDerWaalsContact C-N 3.32Å; V305-I339 HydrophobicContact CG2-CG1 3.68Å; V305-M342 HydrophobicContact CG1-CB 4.08Å; V305-M342 HydrophobicContact CG1-SD 4.34Å; V305-M342 HydrophobicContact CG2-CE 3.8Å; V305-M342 HydrophobicContact CG2-SD 4.29Å
306G98.6Very high97.6Very high0 Ų035.9 Ų35.90%018%0.179CC..EExtended strand (participates in β ladder)trans-156.1-17217300000110.1N164 I294N164-G306 PolarHBondContact N-O 3.48Å; N164-G306 PolarHBondContact O-N 2.87Å; N164-G306 WeakPolarHBondContact OD1-CA 3.33Å; N164-G306 PolarHBondContact OD1-O 3.35Å; I294-G306 WeakPolarHBondContact O-CA 3.35Å
307F98.7Very high97.4Very high0 Ų037.7 Ų37.70%019%0.193CC..EExtended strand (participates in β ladder)trans-145.1154.7169.768.1-96.3000111.2I150 L154 I161 I162 F163 N164 Y277 L292 I294 M342I150-F307 HydrophobicContact CD1-CD1 4.14Å; I150-F307 HydrophobicContact CD1-CE1 4.44Å; I150-F307 HydrophobicContact CG1-CE1 4.46Å; I150-F307 HydrophobicContact CG2-CD1 3.82Å; I150-F307 HydrophobicContact CG2-CD2 4.02Å; I150-F307 HydrophobicContact CG2-CE1 3.58Å; I150-F307 HydrophobicContact CG2-CE2 3.81Å; I150-F307 HydrophobicContact CG2-CG 4.03Å; I150-F307 HydrophobicContact CG2-CZ 3.56Å; L154-F307 HydrophobicContact CD1-CE2 3.66Å; L154-F307 HydrophobicContact CD1-CZ 4.05Å; I161-F307 HydrophobicContact CD1-CD2 4.32Å; I161-F307 HydrophobicContact CD1-CE2 4.41Å; I161-F307 HydrophobicContact CG2-CB 3.9Å; I161-F307 HydrophobicContact CG2-CD2 4.17Å; I161-F307 HydrophobicContact CG2-CG 4.16Å; I162-F307 CarbonylContact O-C 3.3Å; I162-F307 WeakPolarHBondContact O-CA 3.09Å; I162-F307 WeakPolarHBondContact O-CB 3.3Å; F163-F307 HydrophobicContact CD1-CB 4.09Å; N164-F307 PolarHBondContact OD1-N 3.43Å; Y277-F307 HydrophobicContact CE1-CE1 4.27Å; Y277-F307 HydrophobicContact CE1-CZ 4.18Å; Y277-F307 HydrophobicContact CE2-CZ 4.32Å; Y277-F307 AromaticContact CZ-CZ 3.87Å; L292-F307 HydrophobicContact CD2-CE2 4.3Å; I294-F307 HydrophobicContact CB-CD1 3.99Å; I294-F307 HydrophobicContact CB-CD2 4.32Å; I294-F307 HydrophobicContact CB-CE1 3.62Å; I294-F307 HydrophobicContact CB-CE2 3.96Å; I294-F307 HydrophobicContact CB-CG 4.33Å; I294-F307 HydrophobicContact CB-CZ 3.62Å; I294-F307 HydrophobicContact CG1-CD2 4.39Å; I294-F307 HydrophobicContact CG1-CE1 3.97Å; I294-F307 HydrophobicContact CG1-CE2 3.64Å; I294-F307 HydrophobicContact CG1-CZ 3.42Å; I294-F307 VanDerWaalsContact CG1-CZ 3.42Å; I294-F307 HydrophobicContact CG2-CD1 4.11Å; I294-F307 HydrophobicContact CG2-CE1 3.53Å; I294-F307 HydrophobicContact CG2-CZ 3.88Å; I294-F307 PolarHBondContact N-O 3.19Å; I294-F307 PolarHBondContact O-N 2.65Å; I294-F307 VanDerWaalsContact O-N 3.08Å; F307-M342 HydrophobicContact CB-CE 4.31Å; F307-M342 HydrophobicContact CD1-CE 4Å; F307-M342 HydrophobicContact CD1-SD 3.77Å; F307-M342 HydrophobicContact CE1-SD 4.48Å
308L98.8Very high97.4Very high2 Ų237.5 Ų37.51%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-111.3120.9168.6175.463.7000107.7I162 T173 A174 F291 L292 L316I162-L308 HydrophobicContact CB-CB 4.46Å; I162-L308 PolarHBondContact N-O 3.46Å; I162-L308 PolarHBondContact O-N 3.32Å; T173-L308 HydrophobicContact CG2-CD2 4.17Å; A174-L308 HydrophobicContact CB-CD1 4.19Å; A174-L308 HydrophobicContact CB-CD2 4.47Å; F291-L308 HydrophobicContact CB-CD1 4.17Å; L292-L308 CarbonylContact O-C 3.43Å; L292-L308 WeakPolarHBondContact O-CA 3.44Å; L308-L316 HydrophobicContact CD2-CD2 3.6Å
309F98.8Very high97.4Very high0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-75.3135.5160.5161.3-99.2000108.7L154 V156 E160 I161 P284 H285 I289 F291 L292L154-F309 HydrophobicContact CD1-CB 4.31Å; V156-F309 HydrophobicContact CB-CD2 4.16Å; V156-F309 HydrophobicContact CB-CE2 3.84Å; V156-F309 HydrophobicContact CG1-CD2 3.97Å; V156-F309 HydrophobicContact CG1-CE2 3.54Å; V156-F309 HydrophobicContact CG1-CZ 4.21Å; V156-F309 HydrophobicContact CG2-CD2 3.94Å; V156-F309 HydrophobicContact CG2-CE2 4.15Å; E160-F309 HydrophobicContact CB-CD2 3.89Å; E160-F309 HydrophobicContact CB-CE2 3.76Å; E160-F309 HydrophobicContact CG-CE2 4.38Å; E160-F309 CarbonylContact O-C 3.51Å; E160-F309 WeakPolarHBondContact O-CA 3.43Å; I161-F309 HydrophobicContact CD1-CB 4.3Å; I161-F309 HydrophobicContact CD1-CD2 4.43Å; P284-F309 HydrophobicContact CB-CD1 3.65Å; P284-F309 HydrophobicContact CB-CE1 3.27Å; P284-F309 HydrophobicContact CB-CE2 4.29Å; P284-F309 HydrophobicContact CB-CG 4.3Å; P284-F309 HydrophobicContact CB-CZ 3.62Å; P284-F309 HydrophobicContact CG-CD1 3.99Å; P284-F309 HydrophobicContact CG-CE1 4.08Å; P284-F309 HydrophobicContact CG-CG 4.22Å; P284-F309 HydrophobicContact CG-CZ 4.37Å; H285-F309 AromaticContact CE1-CZ 3.87Å; I289-F309 HydrophobicContact CG2-CD1 4.5Å; I289-F309 HydrophobicContact CG2-CE1 4.46Å; I289-F309 WeakPolarHBondContact O-CE1 3.47Å; F291-F309 VanDerWaalsContact CA-O 3.26Å; F291-F309 WeakPolarHBondContact CA-O 3.35Å; L292-F309 HydrophobicContact CB-CB 4.11Å; L292-F309 HydrophobicContact CB-CD1 4.05Å; L292-F309 HydrophobicContact CD2-CB 4.39Å; L292-F309 PolarHBondContact N-O 3.17Å; L292-F309 PolarHBondContact O-N 3.01Å
310K98.6Very high97.4Very high34 Ų3441.5 Ų41.515%0.14822%0.218CC..EExtended strand (participates in β ladder)trans-135.4115.5176.7171.9-105.9175-126.60108.7E160 I162 D290 F291 A314 L316E160-K310 VanDerWaalsContact CB-O 3.3Å; E160-K310 WeakPolarHBondContact CB-O 3.24Å; E160-K310 PolarHBondContact O-N 3.31Å; I162-K310 HydrophobicContact CD1-CB 4.02Å; D290-K310 CarbonylContact O-C 3.05Å; D290-K310 WeakPolarHBondContact O-CA 3.22Å; F291-K310 HydrophobicContact CD1-CB 4.07Å; F291-K310 HydrophobicContact CD1-CG 4.04Å; F291-K310 HydrophobicContact CE1-CB 4.19Å; F291-K310 HydrophobicContact CE1-CG 3.63Å; K310-A314 WeakPolarHBondContact CE-O 3.38Å; K310-A314 PolarHBondContact NZ-O 2.97Å; K310-L316 HydrophobicContact CG-CB 4.27Å; K310-L316 HydrophobicContact CG-CD2 4.27Å
311S98.4Very high97.3Very high1 Ų148.9 Ų48.91%0.00725%0.252CS..  trans-61150.6179.882.40000111.3E160 D290 K313 A314E160-S311 WeakPolarHBondContact OE1-CA 3.24Å; D290-S311 PolarHBondContact O-N 2.86Å; D290-S311 PolarHBondContact OD1-OG 2.94Å; S311-K313 PolarHBondContact O-N 3.3Å; S311-K313 PolarHBondContact OG-N 3.47Å; S311-A314 PolarHBondContact O-N 2.87Å; S311-A314 PolarHBondContact OG-N 3.08Å
312D97.6Very high97.1Very high75 Ų7552 Ų5240%0.40128%0.284SS..THydrogen-bonded Turntrans-58.5-26.2171.8-82.2-23.9000113.1K157 H159 E160K157-D312 IonicContact NZ-OD2 2.74Å; K157-D312 PolarHBondContact NZ-OD2 2.64Å; H159-D312 IonicContact CD2-OD1 2.74Å; H159-D312 PolarHBondContact CD2-OD1 3.29Å; H159-D312 IonicContact CE1-OD1 3.24Å; H159-D312 IonicContact CE1-OD2 3.38Å; H159-D312 IonicContact NE2-OD1 3.33Å; H159-D312 PolarHBondContact NE2-OD1 2.88Å; H159-D312 IonicContact NE2-OD2 3.92Å; H159-D312 PolarHBondContact NE2-OD2 2.79Å; E160-D312 PolarHBondContact OE1-N 2.93Å
313K94.9Very high96.8Very high176 Ų17653.6 Ų53.677%0.76530%0.302SS*.THydrogen-bonded Turntrans-76-33-177.9-61.5176.9-175.3170.70112.4S311S311-K313 PolarHBondContact O-N 3.3Å; S311-K313 PolarHBondContact OG-N 3.47Å
314A96.7Very high96.6Very high1 Ų153 Ų531%0.00830%0.301CS..SBendtrans-81146.6-178.600000111.6Y268 D290 F291 K310 S311Y268-A314 HydrophobicContact CD1-CB 4.19Å; Y268-A314 HydrophobicContact CD2-CB 4.31Å; Y268-A314 HydrophobicContact CE1-CB 3.98Å; Y268-A314 HydrophobicContact CE2-CB 4.08Å; Y268-A314 HydrophobicContact CG-CB 4.38Å; D290-A314 HydrophobicContact CB-CB 4.03Å; F291-A314 HydrophobicContact CE1-CB 3.72Å; F291-A314 HydrophobicContact CE2-CB 4.28Å; F291-A314 HydrophobicContact CZ-CB 3.52Å; K310-A314 WeakPolarHBondContact CE-O 3.38Å; K310-A314 PolarHBondContact NZ-O 2.97Å; S311-A314 PolarHBondContact O-N 2.87Å; S311-A314 PolarHBondContact OG-N 3.08Å
315Q95.5Very high96.5Very high153 Ų15352.1 Ų52.172%0.71529%0.285SS*.  trans-103.2136.7167.9-65-173-3.600109.1Y268Y268-Q315 PolarHBondContact OH-N 3.03Å
316L96.7Very high96.3Very high34 Ų3452.5 Ų52.518%0.17829%0.287CS..  trans-144.7124-177.1-167.668.6000109.5T173 E177 F291 L308 K310T173-L316 HydrophobicContact CG2-CD2 3.99Å; T173-L316 HydrophobicContact CG2-CG 4.37Å; E177-L316 HydrophobicContact CB-CD1 3.8Å; E177-L316 HydrophobicContact CB-CG 4.44Å; F291-L316 HydrophobicContact CD1-CD2 4.24Å; F291-L316 HydrophobicContact CE1-CB 4.02Å; F291-L316 HydrophobicContact CE1-CD1 3.99Å; F291-L316 HydrophobicContact CE1-CD2 3.84Å; F291-L316 HydrophobicContact CE1-CG 4.18Å; F291-L316 HydrophobicContact CZ-CB 4.26Å; F291-L316 HydrophobicContact CZ-CD1 3.85Å; F291-L316 HydrophobicContact CZ-CG 4.45Å; L308-L316 HydrophobicContact CD2-CD2 3.6Å; K310-L316 HydrophobicContact CG-CB 4.27Å; K310-L316 HydrophobicContact CG-CD2 4.27Å
317A96Very high96Very high37 Ų3758.4 Ų58.431%0.30632%0.315SS..  trans-80.2158.8173.200000110.7E177E177-A317 HydrophobicContact CB-CB 4.28Å; E177-A317 WeakPolarHBondContact CG-O 3.47Å; E177-A317 WeakPolarHBondContact OE2-CB 3.45Å
318P96Very high95.8Very high36 Ų3664.3 Ų64.323%0.23434%0.34CS..  trans-77.3129.2176.630-33.4000111.4H321 R329P318-H321 PolarHBondContact O-CE1 3.27Å; P318-R329 WeakPolarHBondContact CB-O 3.37Å
319L97Very high95.7Very high50 Ų5066.4 Ų66.426%0.26235%0.348SS..SBendtrans-66.9-37.8172.6-179.367.7000112.2E169 N172 T173 L176 E177E169-L319 HydrophobicContact CG-CD2 4.49Å; N172-L319 HydrophobicContact CB-CD2 4.21Å; T173-L319 HydrophobicContact CG2-CB 4.06Å; T173-L319 WeakPolarHBondContact OG1-CD2 3.48Å; L176-L319 HydrophobicContact CD1-CD1 3.95Å; E177-L319 HydrophobicContact CG-CB 4.28Å
320L96.6Very high95.5Very high71 Ų7168.7 Ų68.737%0.37236%0.357SS..SBendtrans-106.1118.1-179.8-62.1178.4000110.2A331L320-A331 HydrophobicContact CB-CB 4.46Å; L320-A331 WeakPolarHBondContact O-CB 3.36Å; L320-A331 PolarHBondContact O-N 2.88Å
321H95Very high95.4Very high159 Ų15967.5 Ų67.574%0.73635%0.353SS*.  trans-89.8144.1175-56.1-59.8000111.8P318P318-H321 PolarHBondContact O-CE1 3.27Å
322G94.2Very high95.2Very high68 Ų6868.9 Ų68.970%0.70137%0.367SS*.SBendtrans161.4-124.8179.700000112.1
323G92.2Very high95Very high39 Ų3969.7 Ų69.740%0.40238%0.375SS..SBendtrans-70.7-176178.500000114Q325G323-Q325 VanDerWaalsContact CA-OE1 3.24Å
324E93.1Very high95.1Very high131 Ų13162.4 Ų62.461%0.61234%0.344SS*.  trans-94.214.5-174.9-55.1-165.2142.800114E327 K328E324-E327 PolarHBondContact O-N 3.37Å; E324-K328 HydrophobicContact CB-CG 3.9Å; E324-K328 VanDerWaalsContact CD-CE 3.41Å; E324-K328 HydrophobicContact CG-CD 4.45Å; E324-K328 HydrophobicContact CG-CG 4.13Å; E324-K328 PolarHBondContact O-N 3.26Å; E324-K328 WeakPolarHBondContact OE1-CE 3.24Å; E324-K328 IonicContact OE1-NZ 2.79Å; E324-K328 PolarHBondContact OE1-NZ 3.06Å
325Q94.3Very high95.1Very high27 Ų2765.9 Ų65.913%0.12636%0.362CS..G310 helixtrans-57.1154.6177.6-66.389.7-3.800112.5G323 E327 K328 R330 G332 E334G323-Q325 VanDerWaalsContact CA-OE1 3.24Å; Q325-E327 PolarHBondContact O-N 3.07Å; Q325-E327 VanDerWaalsContact O-N 3.13Å; Q325-K328 WeakPolarHBondContact O-CA 3.43Å; Q325-K328 PolarHBondContact O-N 3.33Å; Q325-R330 CarbonylContact C-O 3.57Å; Q325-R330 WeakPolarHBondContact CB-O 3.46Å; Q325-G332 WeakPolarHBondContact CG-O 3.37Å; Q325-G332 VanDerWaalsContact OE1-N 3.14Å; Q325-E334 WeakPolarHBondContact CB-OE1 3.41Å; Q325-E334 WeakPolarHBondContact CG-OE1 3.15Å
326E94.5Very high95.1Very high8 Ų859.2 Ų59.24%0.03733%0.332CS..G310 helixtrans47.838.8-173.9-66.7-64.9104.700112.4R147 I162 F163 K328 R329 R330R147-E326 IonicContact CZ-OE1 3.05Å; R147-E326 IonicContact CZ-OE2 2.76Å; R147-E326 IonicContact NH1-OE1 3.82Å; R147-E326 IonicContact NH1-OE2 3.36Å; R147-E326 PolarHBondContact NH1-OE2 3.22Å; R147-E326 IonicContact NH2-OE1 3.86Å; R147-E326 PolarHBondContact NH2-OE1 2.86Å; R147-E326 IonicContact NH2-OE2 3.93Å; R147-E326 PolarHBondContact NH2-OE2 3.37Å; I162-E326 HydrophobicContact CG2-CB 4.38Å; F163-E326 HydrophobicContact CB-CG 4.45Å; F163-E326 PolarHBondContact N-OE2 3.45Å; E326-K328 VanDerWaalsContact C-N 3.34Å; E326-K328 PolarHBondContact O-N 3.45Å; E326-R329 WeakPolarHBondContact O-CB 3.4Å; E326-R329 WeakPolarHBondContact O-CG 3.08Å; E326-R329 PolarHBondContact O-N 3.2Å; E326-R329 VanDerWaalsContact O-N 3.1Å; E326-R329 PolarHBondContact O-NE 3.34Å; E326-R330 HydrophobicContact CB-CB 3.96Å; E326-R330 HydrophobicContact CG-CB 4.13Å
327E92.8Very high95.2Very high125 Ų12558 Ų5858%0.58433%0.327SS*.G310 helixtrans57.942.9-176.8-54.2173.5162.700113E324 Q325 R329E324-E327 PolarHBondContact O-N 3.37Å; Q325-E327 PolarHBondContact O-N 3.07Å; Q325-E327 VanDerWaalsContact O-N 3.13Å; E327-R329 PolarHBondContact O-N 3.32Å; E327-R329 IonicContact OE2-CZ 3.92Å; E327-R329 IonicContact OE2-NE 3Å; E327-R329 IonicContact OE2-NH2 2.73Å; E327-R329 PolarHBondContact OE2-NH2 3.46Å
328K94.3Very high95.3Very high123 Ų12356.3 Ų56.354%0.53531%0.312SS..G310 helixtrans67.710.7-176.7-43.8179.7-175.5-154.10114.4E324 Q325 E326E324-K328 HydrophobicContact CB-CG 3.9Å; E324-K328 VanDerWaalsContact CD-CE 3.41Å; E324-K328 HydrophobicContact CG-CD 4.45Å; E324-K328 HydrophobicContact CG-CG 4.13Å; E324-K328 PolarHBondContact O-N 3.26Å; E324-K328 WeakPolarHBondContact OE1-CE 3.24Å; E324-K328 IonicContact OE1-NZ 2.79Å; E324-K328 PolarHBondContact OE1-NZ 3.06Å; Q325-K328 WeakPolarHBondContact O-CA 3.43Å; Q325-K328 PolarHBondContact O-N 3.33Å; E326-K328 VanDerWaalsContact C-N 3.34Å; E326-K328 PolarHBondContact O-N 3.45Å
329R95.4Very high95.4Very high47 Ų4754.7 Ų54.718%0.17730%0.301CS..THydrogen-bonded Turntrans-89.9-22.7-179.7-58.9178.2-76.5172-15.8112.8H159 I162 P318 E326 E327H159-R329 PolarHBondContact O-NH1 2.82Å; H159-R329 PolarHBondContact O-NH2 2.8Å; I162-R329 HydrophobicContact CD1-CB 4.18Å; I162-R329 HydrophobicContact CG1-CB 4.41Å; I162-R329 HydrophobicContact CG2-CB 4.31Å; P318-R329 WeakPolarHBondContact CB-O 3.37Å; E326-R329 WeakPolarHBondContact O-CB 3.4Å; E326-R329 WeakPolarHBondContact O-CG 3.08Å; E326-R329 PolarHBondContact O-N 3.2Å; E326-R329 VanDerWaalsContact O-N 3.1Å; E326-R329 PolarHBondContact O-NE 3.34Å; E327-R329 PolarHBondContact O-N 3.32Å; E327-R329 IonicContact OE2-CZ 3.92Å; E327-R329 IonicContact OE2-NE 3Å; E327-R329 IonicContact OE2-NH2 2.73Å; E327-R329 PolarHBondContact OE2-NH2 3.46Å
330R96.5Very high95.5Very high48 Ų4852.9 Ų52.918%0.18129%0.293CS..SBendtrans-152.9103.3177.9-167.3-81.4-179.5-176.10.2110.1I162 E169 Q325 E326I162-R330 HydrophobicContact CG2-CB 4.07Å; E169-R330 WeakPolarHBondContact OE1-CG 3.29Å; E169-R330 IonicContact OE1-CZ 2.72Å; E169-R330 IonicContact OE1-NE 3.46Å; E169-R330 PolarHBondContact OE1-NE 3.5Å; E169-R330 IonicContact OE1-NH2 3.58Å; E169-R330 PolarHBondContact OE1-NH2 3.4Å; E169-R330 IonicContact OE2-NE 3.75Å; E169-R330 IonicContact OE2-NH2 3.67Å; E169-R330 PolarHBondContact OE2-NH2 3.21Å; Q325-R330 CarbonylContact C-O 3.57Å; Q325-R330 WeakPolarHBondContact CB-O 3.46Å; E326-R330 HydrophobicContact CB-CB 3.96Å; E326-R330 HydrophobicContact CG-CB 4.13Å
331A95.6Very high95.6Very high9 Ų949.5 Ų49.57%0.07428%0.275CS..  trans-69.5151.8-179.500000113.4L320L320-A331 HydrophobicContact CB-CB 4.46Å; L320-A331 WeakPolarHBondContact O-CB 3.36Å; L320-A331 PolarHBondContact O-N 2.88Å
332G94.4Very high95.8Very high30 Ų3041.9 Ų41.931%0.30924%0.24SC..SBendtrans107.3143.1175.900000112.5Q325 E334Q325-G332 WeakPolarHBondContact CG-O 3.37Å; Q325-G332 VanDerWaalsContact OE1-N 3.14Å; G332-E334 PolarHBondContact O-N 2.75Å
333T93.7Very high96Very high91 Ų9139 Ų3956%0.55821%0.209SC*.  trans-53130.8-177-51.90000111.4
334E95.8Very high96.3Very high23 Ų2338.5 Ų38.511%0.10720%0.196CC..  trans-67.7136.5-176.6-59.288.1162.100110.8L143 Q325 G332 L336 I339L143-E334 HydrophobicContact CD1-CB 4.42Å; L143-E334 HydrophobicContact CD1-CG 4.49Å; L143-E334 HydrophobicContact CD2-CG 4.21Å; Q325-E334 WeakPolarHBondContact CB-OE1 3.41Å; Q325-E334 WeakPolarHBondContact CG-OE1 3.15Å; G332-E334 PolarHBondContact O-N 2.75Å; E334-L336 PolarHBondContact O-N 2.8Å; E334-I339 HydrophobicContact CB-CD1 3.86Å
335N96.5Very high96.6Very high74 Ų7432.3 Ų32.340%0.39617%0.167SC..  trans-74.671.9173.3-179.13.8000109.6G304 A337 G338 I339G304-N335 PolarHBondContact O-ND2 2.81Å; N335-A337 VanDerWaalsContact C-N 3.34Å; N335-A337 PolarHBondContact O-N 3.15Å; N335-G338 CarbonylContact O-C 3.44Å; N335-G338 WeakPolarHBondContact O-CA 3.38Å; N335-G338 PolarHBondContact O-N 2.91Å; N335-G338 PolarHBondContact OD1-N 2.93Å; N335-I339 VanDerWaalsContact O-CG1 3.32Å; N335-I339 WeakPolarHBondContact O-CG1 3.32Å; N335-I339 PolarHBondContact O-N 2.92Å
336L97.5Very high96.8Very high14 Ų1431.2 Ų31.27%0.07316%0.163CC..Hα-helixtrans-56.9-43.9-169.4-174.865.5000113.1I121 T125 A139 K142 L143 E334 I339 C340I121-L336 HydrophobicContact CG2-CD2 4.32Å; I121-L336 HydrophobicContact CG2-CG 4.14Å; T125-L336 HydrophobicContact CG2-CD2 3.84Å; A139-L336 HydrophobicContact CB-CD2 3.7Å; K142-L336 HydrophobicContact CB-CD1 4.27Å; L143-L336 HydrophobicContact CB-CD1 3.93Å; L143-L336 HydrophobicContact CD1-CD1 4.27Å; E334-L336 PolarHBondContact O-N 2.8Å; L336-I339 PolarHBondContact O-N 3.16Å; L336-C340 WeakPolarHBondContact O-CB 3.37Å; L336-C340 PolarHBondContact O-N 3.35Å; L336-C340 PolarHBondContact O-SG 2.52Å
337A98Very high97Very high9 Ų935.9 Ų35.97%0.07418%0.184CC..Hα-helixtrans-61.1-46.6175.500000111.1M118 I121 L122 N335 I339 C340 G341M118-A337 WeakPolarHBondContact CG-O 3.41Å; I121-A337 HydrophobicContact CB-CB 4.41Å; I121-A337 HydrophobicContact CG2-CB 4Å; L122-A337 HydrophobicContact CD2-CB 3.81Å; L122-A337 HydrophobicContact CG-CB 3.88Å; N335-A337 VanDerWaalsContact C-N 3.34Å; N335-A337 PolarHBondContact O-N 3.15Å; A337-I339 PolarHBondContact O-N 2.71Å; A337-C340 PolarHBondContact O-N 2.98Å; A337-G341 PolarHBondContact O-N 3.09Å
338G98.4Very high97.2Very high0 Ų031.8 Ų31.80%017%0.166CC..Hα-helixtrans-59.6-45.1174.800000112.9P302 N335 G341 M342P302-G338 WeakPolarHBondContact CG-O 3.46Å; N335-G338 CarbonylContact O-C 3.44Å; N335-G338 WeakPolarHBondContact O-CA 3.38Å; N335-G338 PolarHBondContact O-N 2.91Å; N335-G338 PolarHBondContact OD1-N 2.93Å; G338-G341 PolarHBondContact O-N 3.18Å; G338-M342 WeakPolarHBondContact O-CB 3.28Å; G338-M342 PolarHBondContact O-N 3.48Å
339I98.7Very high97.3Very high2 Ų226.3 Ų26.31%0.0114%0.143CC..Hα-helixtrans-63.8-45.4-179.8-69.5164.5000110.8L143 A146 F163 V305 E334 N335 L336 A337 G341 M342 A343L143-I339 HydrophobicContact CD1-CD1 3.65Å; L143-I339 HydrophobicContact CD1-CG2 4.03Å; A146-I339 HydrophobicContact CB-CG2 3.6Å; F163-I339 HydrophobicContact CB-CD1 3.85Å; F163-I339 HydrophobicContact CB-CG1 4.23Å; F163-I339 HydrophobicContact CD1-CG1 4.23Å; F163-I339 HydrophobicContact CD1-CG2 4.1Å; F163-I339 HydrophobicContact CD2-CD1 3.82Å; F163-I339 HydrophobicContact CD2-CG1 4.32Å; F163-I339 HydrophobicContact CD2-CG2 4.02Å; F163-I339 HydrophobicContact CE1-CG2 3.79Å; F163-I339 HydrophobicContact CE2-CG2 3.67Å; F163-I339 HydrophobicContact CG-CD1 3.82Å; F163-I339 HydrophobicContact CG-CG1 4.01Å; F163-I339 HydrophobicContact CG-CG2 4.22Å; F163-I339 HydrophobicContact CZ-CG2 3.54Å; V305-I339 HydrophobicContact CG2-CG1 3.68Å; E334-I339 HydrophobicContact CB-CD1 3.86Å; N335-I339 VanDerWaalsContact O-CG1 3.32Å; N335-I339 WeakPolarHBondContact O-CG1 3.32Å; N335-I339 PolarHBondContact O-N 2.92Å; L336-I339 PolarHBondContact O-N 3.16Å; A337-I339 PolarHBondContact O-N 2.71Å; I339-G341 VanDerWaalsContact C-N 3.35Å; I339-M342 PolarHBondContact O-N 3.02Å; I339-A343 WeakPolarHBondContact O-CB 3.41Å; I339-A343 PolarHBondContact O-N 2.8Å
340C98.7Very high97.3Very high12 Ų1227.4 Ų27.48%0.08116%0.155CC..Hα-helixtrans-65-39.9175.8-64.40000111.5T117 I121 L336 A337 A343 K344T117-C340 HydrophobicContact CG2-CB 4.28Å; I121-C340 HydrophobicContact CD1-CB 4.31Å; I121-C340 HydrophobicContact CG1-CB 3.81Å; L336-C340 WeakPolarHBondContact O-CB 3.37Å; L336-C340 PolarHBondContact O-N 3.35Å; L336-C340 PolarHBondContact O-SG 2.52Å; A337-C340 PolarHBondContact O-N 2.98Å; C340-A343 PolarHBondContact O-N 2.87Å; C340-K344 PolarHBondContact O-N 3.16Å
341G98.8Very high97.2Very high0 Ų031.4 Ų31.40%018%0.176CC..Hα-helixtrans-62.5-41.8173.400000112.7V114 A337 G338 I339 K344 A345V114-G341 VanDerWaalsContact CG1-O 3.28Å; V114-G341 WeakPolarHBondContact CG1-O 3.21Å; A337-G341 PolarHBondContact O-N 3.09Å; G338-G341 PolarHBondContact O-N 3.18Å; I339-G341 VanDerWaalsContact C-N 3.35Å; G341-K344 PolarHBondContact O-N 3.23Å; G341-A345 PolarHBondContact O-N 2.78Å
342M98.8Very high97.2Very high0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-62.7-44.5173.7177.3172.163.800111.5I150 F163 A296 V305 F307 G338 I339 K344 A345 V346I150-M342 HydrophobicContact CD1-CE 3.78Å; I150-M342 HydrophobicContact CD1-CG 4.31Å; F163-M342 HydrophobicContact CD1-CE 3.66Å; F163-M342 HydrophobicContact CE1-CE 3.79Å; A296-M342 HydrophobicContact CB-CB 3.73Å; A296-M342 HydrophobicContact CB-CG 3.6Å; A296-M342 HydrophobicContact CB-SD 3.76Å; V305-M342 HydrophobicContact CG1-CB 4.08Å; V305-M342 HydrophobicContact CG1-SD 4.34Å; V305-M342 HydrophobicContact CG2-CE 3.8Å; V305-M342 HydrophobicContact CG2-SD 4.29Å; F307-M342 HydrophobicContact CB-CE 4.31Å; F307-M342 HydrophobicContact CD1-CE 4Å; F307-M342 HydrophobicContact CD1-SD 3.77Å; F307-M342 HydrophobicContact CE1-SD 4.48Å; G338-M342 WeakPolarHBondContact O-CB 3.28Å; G338-M342 PolarHBondContact O-N 3.48Å; I339-M342 PolarHBondContact O-N 3.02Å; M342-K344 VanDerWaalsContact C-N 3.32Å; M342-K344 PolarHBondContact O-N 2.9Å; M342-A345 WeakPolarHBondContact O-CB 3.16Å; M342-A345 PolarHBondContact O-N 2.79Å; M342-V346 HydrophobicContact CG-CG2 4.49Å; M342-V346 WeakPolarHBondContact O-CG2 3.49Å; M342-V346 PolarHBondContact O-N 2.73Å
343A98.8Very high97.2Very high6 Ų639.4 Ų39.45%0.0520%0.203CC..Hα-helixtrans-60.9-41.3175.800000111.7A146 V149 I150 I339 C340 A345 V346 E347A146-A343 HydrophobicContact CB-CB 3.64Å; V149-A343 HydrophobicContact CB-CB 4.34Å; V149-A343 HydrophobicContact CG1-CB 4.31Å; V149-A343 WeakPolarHBondContact CG1-O 3.31Å; I150-A343 HydrophobicContact CD1-CB 4.47Å; I339-A343 WeakPolarHBondContact O-CB 3.41Å; I339-A343 PolarHBondContact O-N 2.8Å; C340-A343 PolarHBondContact O-N 2.87Å; A343-A345 VanDerWaalsContact C-N 3.34Å; A343-A345 PolarHBondContact O-N 3.26Å; A343-V346 WeakPolarHBondContact O-CB 3.07Å; A343-V346 PolarHBondContact O-N 3.05Å; A343-E347 WeakPolarHBondContact O-CB 3.48Å; A343-E347 PolarHBondContact O-N 2.93Å
344K98.8Very high97.3Very high29 Ų2936.1 Ų36.113%0.12618%0.181CC..Hα-helixtrans-63.5-39.7174-176.259.5179.4173.30112.2E113 V114 T117 C340 G341 M342 V346 E347 L348E113-K344 WeakPolarHBondContact OE2-CE 3.39Å; E113-K344 IonicContact OE2-NZ 2.95Å; E113-K344 PolarHBondContact OE2-NZ 2.87Å; V114-K344 HydrophobicContact CG2-CB 4.17Å; V114-K344 HydrophobicContact CG2-CG 4.05Å; T117-K344 HydrophobicContact CG2-CB 4.24Å; C340-K344 PolarHBondContact O-N 3.16Å; G341-K344 PolarHBondContact O-N 3.23Å; M342-K344 VanDerWaalsContact C-N 3.32Å; M342-K344 PolarHBondContact O-N 2.9Å; K344-V346 VanDerWaalsContact C-N 3.3Å; K344-V346 PolarHBondContact O-N 2.9Å; K344-E347 IonicContact NZ-OE1 3.92Å; K344-E347 PolarHBondContact NZ-OE1 3.28Å; K344-E347 WeakPolarHBondContact O-CB 3.28Å; K344-E347 PolarHBondContact O-N 3.45Å; K344-L348 HydrophobicContact CG-CD1 4.42Å; K344-L348 VanDerWaalsContact O-CG 3.3Å; K344-L348 WeakPolarHBondContact O-CG 3.32Å; K344-L348 PolarHBondContact O-N 3.07Å; K344-L348 VanDerWaalsContact O-N 3.1Å
345A98.6Very high97.2Very high2 Ų239.2 Ų39.22%0.01720%0.195CC..Hα-helixtrans-61.9-39.9174.900000111.7V114 I299 G341 M342 A343 L349V114-A345 HydrophobicContact CG2-CB 3.8Å; I299-A345 HydrophobicContact CD1-CB 4.48Å; I299-A345 HydrophobicContact CG1-CB 4.48Å; G341-A345 PolarHBondContact O-N 2.78Å; M342-A345 WeakPolarHBondContact O-CB 3.16Å; M342-A345 PolarHBondContact O-N 2.79Å; A343-A345 VanDerWaalsContact C-N 3.34Å; A343-A345 PolarHBondContact O-N 3.26Å; A345-L349 WeakPolarHBondContact O-CG 3.48Å; A345-L349 PolarHBondContact O-N 3.46Å
346V98.5Very high97.2Very high4 Ų441.6 Ų41.62%0.02420%0.202CC..Hα-helixtrans-67.9-41.4176172.90000111.7V149 I150 S153 Y277 I299 M342 A343 K344 L348 L349V149-V346 HydrophobicContact CG1-CB 4.48Å; V149-V346 HydrophobicContact CG1-CG1 4.28Å; I150-V346 HydrophobicContact CG1-CB 4.37Å; I150-V346 HydrophobicContact CG1-CG1 4.3Å; I150-V346 HydrophobicContact CG1-CG2 4.06Å; S153-V346 VanDerWaalsContact CB-CG1 3.43Å; S153-V346 VanDerWaalsContact OG-CG1 3.32Å; S153-V346 WeakPolarHBondContact OG-CG1 3.3Å; Y277-V346 HydrophobicContact CE1-CG2 4.05Å; I299-V346 HydrophobicContact CD1-CG2 3.75Å; M342-V346 HydrophobicContact CG-CG2 4.49Å; M342-V346 WeakPolarHBondContact O-CG2 3.49Å; M342-V346 PolarHBondContact O-N 2.73Å; A343-V346 WeakPolarHBondContact O-CB 3.07Å; A343-V346 PolarHBondContact O-N 3.05Å; K344-V346 VanDerWaalsContact C-N 3.3Å; K344-V346 PolarHBondContact O-N 2.9Å; V346-L348 VanDerWaalsContact C-N 3.28Å; V346-L348 PolarHBondContact O-N 3.4Å; V346-L349 WeakPolarHBondContact O-CB 3.14Å; V346-L349 PolarHBondContact O-N 2.58Å
347E98.2Very high97.1Very high105 Ų10541.9 Ų41.949%0.49120%0.202SC..Hα-helixtrans-59.3-39.5176.8-174-166.212800111.9V149 A343 K344 L349V149-E347 HydrophobicContact CG1-CB 4.19Å; A343-E347 WeakPolarHBondContact O-CB 3.48Å; A343-E347 PolarHBondContact O-N 2.93Å; K344-E347 IonicContact NZ-OE1 3.92Å; K344-E347 PolarHBondContact NZ-OE1 3.28Å; K344-E347 WeakPolarHBondContact O-CB 3.28Å; K344-E347 PolarHBondContact O-N 3.45Å; E347-L349 VanDerWaalsContact C-N 3.25Å; E347-L349 PolarHBondContact O-N 3.33Å
348L97.7Very high96.9Very high39 Ų3944.2 Ų44.220%0.20421%0.209CC..Hα-helixtrans-70.3-20.6176.6-67.1168.6000113H111 E113 V114 K344 V346 T350H111-L348 HydrophobicContact CB-CD1 4.24Å; H111-L348 WeakPolarHBondContact ND1-CD1 3.45Å; E113-L348 HydrophobicContact CB-CD1 4.26Å; V114-L348 HydrophobicContact CG2-CD1 4.28Å; K344-L348 HydrophobicContact CG-CD1 4.42Å; K344-L348 VanDerWaalsContact O-CG 3.3Å; K344-L348 WeakPolarHBondContact O-CG 3.32Å; K344-L348 PolarHBondContact O-N 3.07Å; K344-L348 VanDerWaalsContact O-N 3.1Å; V346-L348 VanDerWaalsContact C-N 3.28Å; V346-L348 PolarHBondContact O-N 3.4Å; L348-T350 PolarHBondContact O-N 3.12Å; L348-T350 VanDerWaalsContact O-N 3.07Å
349L95.7Very high96.8Very high9 Ų949 Ų495%0.04723%0.232CC..  trans-85.459.4178-71.5178.2000112.4I299 A345 V346 E347 R354 R357I299-L349 HydrophobicContact CB-CD1 3.73Å; I299-L349 HydrophobicContact CD1-CD1 4.26Å; I299-L349 HydrophobicContact CG2-CD1 3.84Å; A345-L349 WeakPolarHBondContact O-CG 3.48Å; A345-L349 PolarHBondContact O-N 3.46Å; V346-L349 WeakPolarHBondContact O-CB 3.14Å; V346-L349 PolarHBondContact O-N 2.58Å; E347-L349 VanDerWaalsContact C-N 3.25Å; E347-L349 PolarHBondContact O-N 3.33Å; L349-R354 PolarHBondContact O-NE 2.71Å; L349-R357 VanDerWaalsContact CD2-CZ 3.49Å
350T95.3Very high96.8Very high70 Ų7051.6 Ų51.643%0.42925%0.245SC..  trans-64165.2172.4690000111.4L348 E352 E353 R354L348-T350 PolarHBondContact O-N 3.12Å; L348-T350 VanDerWaalsContact O-N 3.07Å; T350-E352 VanDerWaalsContact C-N 3.27Å; T350-E352 PolarHBondContact O-N 2.9Å; T350-E353 PolarHBondContact O-N 3.11Å; T350-E353 WeakPolarHBondContact OG1-CB 3.45Å; T350-E353 PolarHBondContact OG1-N 3.23Å; T350-E353 VanDerWaalsContact OG1-N 3.12Å; T350-R354 WeakPolarHBondContact O-CD 3.13Å; T350-R354 VanDerWaalsContact O-CG 3.25Å; T350-R354 WeakPolarHBondContact O-CG 3.44Å; T350-R354 PolarHBondContact O-N 2.76Å
351E93.9Very high96.7Very high132 Ų13251.4 Ų51.462%0.61724%0.243SC*.Hα-helixtrans-57.7-41.7173.9-69.9176.5-16600111.7F281 R354 E355F281-E351 HydrophobicContact CD2-CG 3.98Å; F281-E351 HydrophobicContact CE2-CG 3.83Å; F281-E351 WeakPolarHBondContact CE2-OE1 3.22Å; F281-E351 WeakPolarHBondContact CZ-OE1 2.95Å; E351-R354 PolarHBondContact O-N 2.94Å; E351-E355 PolarHBondContact O-N 3.24Å
352E95.6Very high96.6Very high161 Ų16156.3 Ų56.375%0.75227%0.265SS*.Hα-helixtrans-62.2-45.2176.3-176.1-177.3173.200112.2T350 R354 E355 K356T350-E352 VanDerWaalsContact C-N 3.27Å; T350-E352 PolarHBondContact O-N 2.9Å; E352-R354 VanDerWaalsContact C-N 3.31Å; E352-R354 PolarHBondContact O-N 3.4Å; E352-E355 PolarHBondContact O-N 3.34Å; E352-K356 WeakPolarHBondContact O-CB 3.4Å; E352-K356 PolarHBondContact O-N 2.9Å
353E95.3Very high96.6Very high46 Ų4661.2 Ų61.222%0.21529%0.289CS..Hα-helixtrans-65.5-36.5178.8175.861.7-170.900111.6T350 K356 R357T350-E353 PolarHBondContact O-N 3.11Å; T350-E353 WeakPolarHBondContact OG1-CB 3.45Å; T350-E353 PolarHBondContact OG1-N 3.23Å; T350-E353 VanDerWaalsContact OG1-N 3.12Å; E353-K356 IonicContact OE2-NZ 3.03Å; E353-R357 WeakPolarHBondContact O-CB 3.35Å; E353-R357 VanDerWaalsContact O-CG 3.26Å; E353-R357 WeakPolarHBondContact O-CG 3.27Å; E353-R357 PolarHBondContact O-N 2.83Å; E353-R357 IonicContact OE1-CZ 2.75Å; E353-R357 IonicContact OE1-NE 3.27Å; E353-R357 PolarHBondContact OE1-NE 3Å; E353-R357 IonicContact OE1-NH2 3.66Å; E353-R357 PolarHBondContact OE1-NH2 2.65Å
354R95.1Very high96.6Very high21 Ų2161 Ų618%0.07929%0.286CS..Hα-helixtrans-64.1-43.3175.6-70.9164.5178.9-75-0.9111.8Y277 G278 Q280 L349 T350 E351 E352 R357 R358Y277-R354 PolarHBondContact O-NH1 3.45Å; Y277-R354 PolarHBondContact O-NH2 3.41Å; G278-R354 VanDerWaalsContact C-NH1 3.34Å; G278-R354 PolarHBondContact O-NH1 2.8Å; Q280-R354 PolarHBondContact O-NH1 2.93Å; L349-R354 PolarHBondContact O-NE 2.71Å; T350-R354 WeakPolarHBondContact O-CD 3.13Å; T350-R354 VanDerWaalsContact O-CG 3.25Å; T350-R354 WeakPolarHBondContact O-CG 3.44Å; T350-R354 PolarHBondContact O-N 2.76Å; E351-R354 PolarHBondContact O-N 2.94Å; E352-R354 VanDerWaalsContact C-N 3.31Å; E352-R354 PolarHBondContact O-N 3.4Å; R354-R357 PolarHBondContact O-N 2.81Å; R354-R358 PolarHBondContact O-N 2.9Å
355E95.4Very high96.5Very high89 Ų8960.2 Ų60.242%0.41628%0.284SS..Hα-helixtrans-67.2-46.2178.6-168.857.4-157.900111.2E351 E352 R357 R358 E359E351-E355 PolarHBondContact O-N 3.24Å; E352-E355 PolarHBondContact O-N 3.34Å; E355-R357 VanDerWaalsContact C-N 3.29Å; E355-R357 PolarHBondContact O-N 2.93Å; E355-R358 WeakPolarHBondContact O-CB 3.36Å; E355-R358 PolarHBondContact O-N 3.43Å; E355-R358 IonicContact OE2-NE 3.1Å; E355-E359 PolarHBondContact O-N 2.94Å
356K95.7Very high96.5Very high124 Ų12465.4 Ų65.454%0.53931%0.308SS..Hα-helixtrans-55.3-43.6174.2179.4-175.2170.7-165.50112.4E352 E353 L360E352-K356 WeakPolarHBondContact O-CB 3.4Å; E352-K356 PolarHBondContact O-N 2.9Å; E353-K356 IonicContact OE2-NZ 3.03Å; K356-L360 VanDerWaalsContact O-CB 3.26Å; K356-L360 WeakPolarHBondContact O-CB 3.39Å; K356-L360 PolarHBondContact O-N 3.47Å
357R95Very high96.5Very high19 Ų1967.9 Ų67.97%0.07232%0.319CS..Hα-helixtrans-62.5-45.3175.5-77.7177-170-149.22.3111.8N300 L349 E353 R354 E355 L360 Y361N300-R357 PolarHBondContact OD1-NH1 3.05Å; L349-R357 VanDerWaalsContact CD2-CZ 3.49Å; E353-R357 WeakPolarHBondContact O-CB 3.35Å; E353-R357 VanDerWaalsContact O-CG 3.26Å; E353-R357 WeakPolarHBondContact O-CG 3.27Å; E353-R357 PolarHBondContact O-N 2.83Å; E353-R357 IonicContact OE1-CZ 2.75Å; E353-R357 IonicContact OE1-NE 3.27Å; E353-R357 PolarHBondContact OE1-NE 3Å; E353-R357 IonicContact OE1-NH2 3.66Å; E353-R357 PolarHBondContact OE1-NH2 2.65Å; R354-R357 PolarHBondContact O-N 2.81Å; E355-R357 VanDerWaalsContact C-N 3.29Å; E355-R357 PolarHBondContact O-N 2.93Å; R357-L360 PolarHBondContact O-N 3.12Å; R357-Y361 HydrophobicContact CB-CD2 4.17Å; R357-Y361 HydrophobicContact CB-CE2 3.69Å; R357-Y361 HydrophobicContact CG-CE2 4.07Å; R357-Y361 WeakPolarHBondContact O-CB 3.44Å; R357-Y361 WeakPolarHBondContact O-CD2 3.46Å; R357-Y361 PolarHBondContact O-N 3.03Å
358R94.5Very high96.5Very high59 Ų5962.9 Ų62.922%0.22330%0.295CS..Hα-helixtrans-56.6-55.7177.9178.9-170.3-58.1-95-2.4110.7N279 R354 E355 L360 Y361 E362 P390N279-R358 PolarHBondContact O-NH2 2.95Å; R354-R358 PolarHBondContact O-N 2.9Å; E355-R358 WeakPolarHBondContact O-CB 3.36Å; E355-R358 PolarHBondContact O-N 3.43Å; E355-R358 IonicContact OE2-NE 3.1Å; R358-L360 VanDerWaalsContact C-N 3.32Å; R358-L360 PolarHBondContact O-N 3.46Å; R358-Y361 PolarHBondContact O-N 3.31Å; R358-E362 WeakPolarHBondContact CG-OE1 3.46Å; R358-E362 WeakPolarHBondContact O-CB 3.39Å; R358-E362 WeakPolarHBondContact O-CG 3.43Å; R358-E362 PolarHBondContact O-N 3.21Å; R358-P390 HydrophobicContact CB-CG 4.18Å; R358-P390 HydrophobicContact CG-CB 4.31Å; R358-P390 HydrophobicContact CG-CG 4.08Å
359E96.2Very high96.5Very high101 Ų10161.6 Ų61.647%0.47229%0.289SS..Hα-helixtrans-56.9-45.8179.4-68.5-178.8171.100111.7E355 E362 Q363E355-E359 PolarHBondContact O-N 2.94Å; E359-E362 PolarHBondContact O-N 2.61Å; E359-Q363 VanDerWaalsContact O-CG 3.27Å; E359-Q363 WeakPolarHBondContact O-CG 3.47Å; E359-Q363 PolarHBondContact O-N 3.07Å
360L97.4Very high96.6Very high56 Ų5663.3 Ų63.329%0.29330%0.299SS..Hα-helixtrans-63.9-45.2-179.3-177.562.8000112.3K356 R357 R358 Q363 F364K356-L360 VanDerWaalsContact O-CB 3.26Å; K356-L360 WeakPolarHBondContact O-CB 3.39Å; K356-L360 PolarHBondContact O-N 3.47Å; R357-L360 PolarHBondContact O-N 3.12Å; R358-L360 VanDerWaalsContact C-N 3.32Å; R358-L360 PolarHBondContact O-N 3.46Å; L360-Q363 WeakPolarHBondContact O-CB 3.46Å; L360-Q363 PolarHBondContact O-N 3.38Å; L360-F364 HydrophobicContact CD1-CD1 4.25Å; L360-F364 HydrophobicContact CD1-CE1 3.48Å; L360-F364 VanDerWaalsContact CD1-CE1 3.48Å; L360-F364 HydrophobicContact CD1-CE2 4.43Å; L360-F364 HydrophobicContact CD1-CZ 3.6Å; L360-F364 HydrophobicContact CD2-CE2 4.23Å; L360-F364 HydrophobicContact CD2-CZ 3.9Å; L360-F364 HydrophobicContact CG-CE1 3.89Å; L360-F364 HydrophobicContact CG-CE2 3.94Å; L360-F364 HydrophobicContact CG-CZ 3.57Å; L360-F364 WeakPolarHBondContact O-CD1 3.46Å; L360-F364 WeakPolarHBondContact O-CG 3.21Å; L360-F364 PolarHBondContact O-N 2.72Å
361Y97.5Very high96.8Very high8 Ų860.8 Ų60.83%0.03128%0.284CS..Hα-helixtrans-74-28.4-177.9-58.3-28.2000112.7R357 R358 F364 T365 P390 H391 F452 G453R357-Y361 HydrophobicContact CB-CD2 4.17Å; R357-Y361 HydrophobicContact CB-CE2 3.69Å; R357-Y361 HydrophobicContact CG-CE2 4.07Å; R357-Y361 WeakPolarHBondContact O-CB 3.44Å; R357-Y361 WeakPolarHBondContact O-CD2 3.46Å; R357-Y361 PolarHBondContact O-N 3.03Å; R358-Y361 PolarHBondContact O-N 3.31Å; Y361-F364 AromaticContact CD1-CD2 3.79Å; Y361-F364 HydrophobicContact CD1-CD2 3.79Å; Y361-F364 AromaticContact CD1-CE2 3.93Å; Y361-F364 HydrophobicContact CD1-CE2 3.93Å; Y361-F364 HydrophobicContact CE1-CD2 4.46Å; Y361-F364 HydrophobicContact CE1-CE2 4.2Å; Y361-F364 PolarHBondContact O-N 3.03Å; Y361-T365 PolarHBondContact O-N 3.18Å; Y361-T365 PolarHBondContact O-OG1 3.24Å; Y361-T365 VanDerWaalsContact O-OG1 3.09Å; Y361-P390 WeakPolarHBondContact CB-O 3.45Å; Y361-H391 HydrophobicContact CD2-CB 3.49Å; Y361-H391 VanDerWaalsContact CD2-CB 3.49Å; Y361-H391 HydrophobicContact CE2-CB 3.9Å; Y361-H391 HydrophobicContact CG-CB 4.1Å; Y361-F452 HydrophobicContact CD1-CB 3.61Å; Y361-F452 HydrophobicContact CD1-CG 4.48Å; Y361-F452 HydrophobicContact CE1-CB 3.97Å; Y361-F452 HydrophobicContact CG-CB 4.06Å; Y361-G453 VanDerWaalsContact OH-CA 3.24Å; Y361-G453 WeakPolarHBondContact OH-CA 3.34Å
362E96.6Very high97Very high102 Ų10254.5 Ų54.548%0.47726%0.255SS..Hα-helixtrans-64.2-43.5167.7-74.7173.4-174.200111.1R358 E359 F364 T365 Q366 P390R358-E362 WeakPolarHBondContact CG-OE1 3.46Å; R358-E362 WeakPolarHBondContact O-CB 3.39Å; R358-E362 WeakPolarHBondContact O-CG 3.43Å; R358-E362 PolarHBondContact O-N 3.21Å; E359-E362 PolarHBondContact O-N 2.61Å; E362-F364 VanDerWaalsContact C-N 3.34Å; E362-F364 PolarHBondContact O-N 3.18Å; E362-T365 WeakPolarHBondContact O-CB 3.45Å; E362-T365 PolarHBondContact O-N 3.26Å; E362-Q366 PolarHBondContact O-N 2.94Å; E362-P390 HydrophobicContact CG-CB 3.91Å
363Q98.1Very high97.1Very high104 Ų10451.4 Ų51.449%0.48624%0.243SC..Hα-helixtrans-62.1-40.6173.9-68.317029.100112E359 L360 Q366 K367 M458E359-Q363 VanDerWaalsContact O-CG 3.27Å; E359-Q363 WeakPolarHBondContact O-CG 3.47Å; E359-Q363 PolarHBondContact O-N 3.07Å; L360-Q363 WeakPolarHBondContact O-CB 3.46Å; L360-Q363 PolarHBondContact O-N 3.38Å; Q363-Q366 PolarHBondContact O-N 2.87Å; Q363-K367 WeakPolarHBondContact O-CB 3.28Å; Q363-K367 PolarHBondContact O-N 3.3Å; Q363-M458 HydrophobicContact CB-CE 3.8Å
364F98.5Very high97.3Very high0 Ų056.6 Ų56.60%027%0.267CS..Hα-helixtrans-61.1-46.7174.6-68.4-9.9000111.9L360 Y361 E362 Q366 K367 V368 F452 N456 M458 V461L360-F364 HydrophobicContact CD1-CD1 4.25Å; L360-F364 HydrophobicContact CD1-CE1 3.48Å; L360-F364 VanDerWaalsContact CD1-CE1 3.48Å; L360-F364 HydrophobicContact CD1-CE2 4.43Å; L360-F364 HydrophobicContact CD1-CZ 3.6Å; L360-F364 HydrophobicContact CD2-CE2 4.23Å; L360-F364 HydrophobicContact CD2-CZ 3.9Å; L360-F364 HydrophobicContact CG-CE1 3.89Å; L360-F364 HydrophobicContact CG-CE2 3.94Å; L360-F364 HydrophobicContact CG-CZ 3.57Å; L360-F364 WeakPolarHBondContact O-CD1 3.46Å; L360-F364 WeakPolarHBondContact O-CG 3.21Å; L360-F364 PolarHBondContact O-N 2.72Å; Y361-F364 AromaticContact CD1-CD2 3.79Å; Y361-F364 HydrophobicContact CD1-CD2 3.79Å; Y361-F364 AromaticContact CD1-CE2 3.93Å; Y361-F364 HydrophobicContact CD1-CE2 3.93Å; Y361-F364 HydrophobicContact CE1-CD2 4.46Å; Y361-F364 HydrophobicContact CE1-CE2 4.2Å; Y361-F364 PolarHBondContact O-N 3.03Å; E362-F364 VanDerWaalsContact C-N 3.34Å; E362-F364 PolarHBondContact O-N 3.18Å; F364-Q366 VanDerWaalsContact C-N 3.34Å; F364-Q366 PolarHBondContact O-N 3.44Å; F364-K367 PolarHBondContact O-N 3.23Å; F364-V368 WeakPolarHBondContact O-CG2 3.46Å; F364-V368 PolarHBondContact O-N 2.9Å; F364-F452 HydrophobicContact CB-CD1 4.18Å; F364-F452 HydrophobicContact CB-CD2 4.06Å; F364-F452 HydrophobicContact CB-CE1 4.02Å; F364-F452 HydrophobicContact CB-CE2 3.9Å; F364-F452 HydrophobicContact CB-CG 4.21Å; F364-F452 HydrophobicContact CB-CZ 3.89Å; F364-F452 HydrophobicContact CD2-CB 3.99Å; F364-F452 AromaticContact CD2-CD1 3.86Å; F364-F452 HydrophobicContact CD2-CD1 3.86Å; F364-F452 HydrophobicContact CD2-CD2 4.38Å; F364-F452 HydrophobicContact CD2-CE1 4.47Å; F364-F452 AromaticContact CD2-CG 3.81Å; F364-F452 HydrophobicContact CD2-CG 3.81Å; F364-F452 HydrophobicContact CG-CD1 4.47Å; F364-N456 HydrophobicContact CE2-CB 3.85Å; F364-N456 HydrophobicContact CZ-CB 4.47Å; F364-M458 HydrophobicContact CD1-CE 3.66Å; F364-M458 HydrophobicContact CD1-SD 3.98Å; F364-M458 HydrophobicContact CE1-CB 4.09Å; F364-M458 HydrophobicContact CE1-CE 3.92Å; F364-M458 HydrophobicContact CE1-SD 4.25Å; F364-V461 HydrophobicContact CB-CG1 4.04Å; F364-V461 HydrophobicContact CB-CG2 4.07Å; F364-V461 HydrophobicContact CD1-CB 4.26Å; F364-V461 HydrophobicContact CD1-CG2 3.93Å; F364-V461 HydrophobicContact CD2-CG2 3.79Å; F364-V461 HydrophobicContact CE1-CG2 4.28Å; F364-V461 HydrophobicContact CE2-CG2 4.15Å; F364-V461 HydrophobicContact CG-CB 4.35Å; F364-V461 HydrophobicContact CG-CG1 4.38Å; F364-V461 HydrophobicContact CG-CG2 3.68Å; F364-V461 HydrophobicContact CZ-CG2 4.37Å
365T98.1Very high97.4Very high14 Ų1457.1 Ų57.19%0.08628%0.276CS..Hα-helixtrans-56.2-51.2174.2-64.80000110.2Y361 E362 K367 V368 L369 L393Y361-T365 PolarHBondContact O-N 3.18Å; Y361-T365 PolarHBondContact O-OG1 3.24Å; Y361-T365 VanDerWaalsContact O-OG1 3.09Å; E362-T365 WeakPolarHBondContact O-CB 3.45Å; E362-T365 PolarHBondContact O-N 3.26Å; T365-K367 VanDerWaalsContact C-N 3.29Å; T365-K367 PolarHBondContact O-N 2.91Å; T365-V368 PolarHBondContact O-N 3.07Å; T365-L369 HydrophobicContact CG2-CD1 4.08Å; T365-L369 HydrophobicContact CG2-CG 4.27Å; T365-L369 WeakPolarHBondContact O-CG 3.32Å; T365-L369 PolarHBondContact O-N 3.35Å; T365-L393 HydrophobicContact CG2-CD1 4.01Å; T365-L393 HydrophobicContact CG2-CD2 4.18Å
366Q97.7Very high97.4Very high110 Ų11060.2 Ų60.251%0.51430%0.295SS..Hα-helixtrans-60.2-38.9-179.3-17258.548.100112.2E362 Q363 F364 L369 T370E362-Q366 PolarHBondContact O-N 2.94Å; Q363-Q366 PolarHBondContact O-N 2.87Å; F364-Q366 VanDerWaalsContact C-N 3.34Å; F364-Q366 PolarHBondContact O-N 3.44Å; Q366-L369 PolarHBondContact O-N 3.3Å; Q366-T370 PolarHBondContact NE2-OG1 2.81Å; Q366-T370 VanDerWaalsContact O-CB 3.24Å; Q366-T370 WeakPolarHBondContact O-CB 3.43Å; Q366-T370 PolarHBondContact O-N 2.94Å; Q366-T370 PolarHBondContact O-OG1 2.7Å
367K98.4Very high97.4Very high57 Ų5755.5 Ų55.525%0.24828%0.276CS..Hα-helixtrans-62.8-44.5176.8178.267.8-161.9-152.10112Q363 F364 T365 T371 M458 V461 E462Q363-K367 WeakPolarHBondContact O-CB 3.28Å; Q363-K367 PolarHBondContact O-N 3.3Å; F364-K367 PolarHBondContact O-N 3.23Å; T365-K367 VanDerWaalsContact C-N 3.29Å; T365-K367 PolarHBondContact O-N 2.91Å; K367-T371 WeakPolarHBondContact O-CB 3.29Å; K367-T371 PolarHBondContact O-N 3.33Å; K367-T371 VanDerWaalsContact O-N 3.07Å; K367-T371 PolarHBondContact O-OG1 3.2Å; K367-M458 HydrophobicContact CB-SD 4.01Å; K367-M458 HydrophobicContact CG-SD 4.04Å; K367-V461 HydrophobicContact CB-CG1 4.42Å; K367-V461 HydrophobicContact CG-CG1 4.42Å; K367-E462 HydrophobicContact CD-CG 3.99Å; K367-E462 WeakPolarHBondContact CE-OE1 3.42Å; K367-E462 HydrophobicContact CG-CG 4.04Å; K367-E462 IonicContact NZ-OE1 3.18Å; K367-E462 PolarHBondContact NZ-OE1 2.98Å
368V98.6Very high97.5Very high0 Ų060.1 Ų60.10%030%0.302CS..Hα-helixtrans-61.1-52.2177173.90000110F364 T365 T370 T371 L372 L393 L395 F452 V461 F464F364-V368 WeakPolarHBondContact O-CG2 3.46Å; F364-V368 PolarHBondContact O-N 2.9Å; T365-V368 PolarHBondContact O-N 3.07Å; V368-T370 PolarHBondContact O-N 3.42Å; V368-T371 PolarHBondContact O-N 3.48Å; V368-L372 HydrophobicContact CG1-CD1 4.14Å; V368-L372 WeakPolarHBondContact O-CG 3.42Å; V368-L372 PolarHBondContact O-N 3.16Å; V368-L372 VanDerWaalsContact O-N 3.11Å; V368-L393 HydrophobicContact CB-CD2 4.29Å; V368-L393 HydrophobicContact CG1-CD2 4.12Å; V368-L395 HydrophobicContact CG1-CD1 3.99Å; V368-F452 HydrophobicContact CG2-CZ 4.42Å; V368-V461 HydrophobicContact CG2-CG1 3.7Å; V368-F464 HydrophobicContact CG1-CE1 4.2Å; V368-F464 HydrophobicContact CG2-CD1 3.94Å; V368-F464 HydrophobicContact CG2-CE1 3.9Å
369L98.3Very high97.6Very high12 Ų1259.5 Ų59.56%0.06330%0.3CS..Hα-helixtrans-61.2-46-178.2-61.4-168.9000111.9T365 Q366 T371 L372 D373 Y379 V381 L385 L393 L395T365-L369 HydrophobicContact CG2-CD1 4.08Å; T365-L369 HydrophobicContact CG2-CG 4.27Å; T365-L369 WeakPolarHBondContact O-CG 3.32Å; T365-L369 PolarHBondContact O-N 3.35Å; Q366-L369 PolarHBondContact O-N 3.3Å; L369-T371 VanDerWaalsContact C-N 3.31Å; L369-T371 PolarHBondContact O-N 3.47Å; L369-L372 WeakPolarHBondContact O-CB 3.36Å; L369-L372 PolarHBondContact O-N 3.1Å; L369-L372 VanDerWaalsContact O-N 3.12Å; L369-D373 PolarHBondContact O-N 3.21Å; L369-Y379 HydrophobicContact CD2-CD2 4.4Å; L369-Y379 HydrophobicContact CD2-CE2 3.6Å; L369-V381 HydrophobicContact CD2-CG2 4.29Å; L369-L385 HydrophobicContact CD1-CD1 4.34Å; L369-L393 HydrophobicContact CD2-CD2 4.4Å; L369-L395 HydrophobicContact CD2-CD2 3.86Å
370T98.4Very high97.6Very high45 Ų4558 Ų5828%0.27629%0.293SS..Hα-helixtrans-61.1-39.5179.1-54.70000112Q366 V368 L372 D373 Q374Q366-T370 PolarHBondContact NE2-OG1 2.81Å; Q366-T370 VanDerWaalsContact O-CB 3.24Å; Q366-T370 WeakPolarHBondContact O-CB 3.43Å; Q366-T370 PolarHBondContact O-N 2.94Å; Q366-T370 PolarHBondContact O-OG1 2.7Å; V368-T370 PolarHBondContact O-N 3.42Å; T370-L372 VanDerWaalsContact C-N 3.35Å; T370-D373 PolarHBondContact O-N 3.32Å; T370-Q374 HydrophobicContact CG2-CG 4.35Å; T370-Q374 WeakPolarHBondContact O-CB 3.28Å; T370-Q374 WeakPolarHBondContact O-CG 3.04Å; T370-Q374 PolarHBondContact O-N 2.88Å
371T98.5Very high97.6Very high17 Ų1756.5 Ų56.510%0.10429%0.286CS..Hα-helixtrans-65.8-38.9177.2-54.30000111.5K367 V368 L369 A375 A465 V469K367-T371 WeakPolarHBondContact O-CB 3.29Å; K367-T371 PolarHBondContact O-N 3.33Å; K367-T371 VanDerWaalsContact O-N 3.07Å; K367-T371 PolarHBondContact O-OG1 3.2Å; V368-T371 PolarHBondContact O-N 3.48Å; L369-T371 VanDerWaalsContact C-N 3.31Å; L369-T371 PolarHBondContact O-N 3.47Å; T371-A375 WeakPolarHBondContact O-CB 3.4Å; T371-A375 PolarHBondContact O-N 3.34Å; T371-A375 VanDerWaalsContact O-N 3.16Å; T371-A465 HydrophobicContact CG2-CB 3.77Å; T371-V469 HydrophobicContact CG2-CG2 4.11Å
372L98.4Very high97.6Very high0 Ų056.1 Ų56.10%029%0.285CS..Hα-helixtrans-65.8-45.4175.5-66.4172.2000111.4V368 L369 T370 A375 D376 I377 Y379 L395 F397 L468 V469 L472V368-L372 HydrophobicContact CG1-CD1 4.14Å; V368-L372 WeakPolarHBondContact O-CG 3.42Å; V368-L372 PolarHBondContact O-N 3.16Å; V368-L372 VanDerWaalsContact O-N 3.11Å; L369-L372 WeakPolarHBondContact O-CB 3.36Å; L369-L372 PolarHBondContact O-N 3.1Å; L369-L372 VanDerWaalsContact O-N 3.12Å; T370-L372 VanDerWaalsContact C-N 3.35Å; L372-A375 CarbonylContact O-C 3.49Å; L372-A375 PolarHBondContact O-N 2.9Å; L372-D376 PolarHBondContact O-N 2.83Å; L372-I377 HydrophobicContact CB-CB 4.32Å; L372-I377 HydrophobicContact CD2-CB 4.07Å; L372-I377 HydrophobicContact CD2-CG1 4.26Å; L372-I377 HydrophobicContact CD2-CG2 3.95Å; L372-I377 PolarHBondContact O-N 2.81Å; L372-Y379 HydrophobicContact CB-CD1 3.63Å; L372-Y379 HydrophobicContact CB-CE1 3.53Å; L372-Y379 HydrophobicContact CD1-CD1 3.8Å; L372-Y379 HydrophobicContact CD1-CD2 4.47Å; L372-Y379 HydrophobicContact CD1-CE1 4.07Å; L372-Y379 HydrophobicContact CD1-CG 4.01Å; L372-Y379 HydrophobicContact CG-CD1 4.3Å; L372-Y379 HydrophobicContact CG-CE1 4.46Å; L372-L395 HydrophobicContact CD1-CD1 3.98Å; L372-F397 HydrophobicContact CD1-CE1 4.04Å; L372-F397 HydrophobicContact CD1-CZ 4.25Å; L372-F397 HydrophobicContact CD2-CE1 4.16Å; L372-L468 HydrophobicContact CD2-CD2 3.99Å; L372-L468 HydrophobicContact CD2-CG 4.32Å; L372-V469 HydrophobicContact CD2-CG2 4.29Å; L372-L472 HydrophobicContact CD2-CD1 4.05Å
373D98.2Very high97.5Very high96 Ų9651.9 Ų51.951%0.51327%0.268SS..Hα-helixtrans-60.1-46.2176.4-70.2-27.8000111.7L369 T370 A375 D376 Y379L369-D373 PolarHBondContact O-N 3.21Å; T370-D373 PolarHBondContact O-N 3.32Å; D373-A375 PolarHBondContact O-N 3.41Å; D373-D376 PolarHBondContact O-N 3.2Å; D373-D376 VanDerWaalsContact O-N 3.1Å; D373-Y379 WeakPolarHBondContact OD1-CE1 3.35Å; D373-Y379 PolarHBondContact OD1-OH 2.88Å
374Q98Very high97.3Very high155 Ų15548 Ų4872%0.72425%0.25SS*.Hα-helixtrans-63.8-28.7178.8-76.3175.2-3.200113.1T370 D376T370-Q374 HydrophobicContact CG2-CG 4.35Å; T370-Q374 WeakPolarHBondContact O-CB 3.28Å; T370-Q374 WeakPolarHBondContact O-CG 3.04Å; T370-Q374 PolarHBondContact O-N 2.88Å; Q374-D376 VanDerWaalsContact C-N 3.34Å
375A97Very high97Very high31 Ų3151.8 Ų51.826%0.25627%0.27SS..THydrogen-bonded Turntrans-91.25.1177.700000113.6T371 L372 D373 I377 V469T371-A375 WeakPolarHBondContact O-CB 3.4Å; T371-A375 PolarHBondContact O-N 3.34Å; T371-A375 VanDerWaalsContact O-N 3.16Å; L372-A375 CarbonylContact O-C 3.49Å; L372-A375 PolarHBondContact O-N 2.9Å; D373-A375 PolarHBondContact O-N 3.41Å; A375-I377 HydrophobicContact CB-CG1 3.93Å; A375-I377 PolarHBondContact O-N 3.26Å; A375-V469 HydrophobicContact CB-CB 4.29Å; A375-V469 HydrophobicContact CB-CG1 3.53Å; A375-V469 HydrophobicContact CB-CG2 3.7Å
376D95.9Very high96.7Very high154 Ų15458.3 Ų58.382%0.82431%0.305SS*.THydrogen-bonded Turntrans53.441.6-177.7-16235.8000112.3L372 D373 Q374L372-D376 PolarHBondContact O-N 2.83Å; D373-D376 PolarHBondContact O-N 3.2Å; D373-D376 VanDerWaalsContact O-N 3.1Å; Q374-D376 VanDerWaalsContact C-N 3.34Å
377I97Very high96.5Very high26 Ų2656.1 Ų56.113%0.13330%0.297CS..  trans-87.3122.7176.1-61.8-62.2000109L372 A375 Y379 F397 V469 L472 Q473L372-I377 HydrophobicContact CB-CB 4.32Å; L372-I377 HydrophobicContact CD2-CB 4.07Å; L372-I377 HydrophobicContact CD2-CG1 4.26Å; L372-I377 HydrophobicContact CD2-CG2 3.95Å; L372-I377 PolarHBondContact O-N 2.81Å; A375-I377 HydrophobicContact CB-CG1 3.93Å; A375-I377 PolarHBondContact O-N 3.26Å; I377-Y379 WeakPolarHBondContact O-CD1 3.3Å; I377-Y379 PolarHBondContact O-N 3.28Å; I377-F397 HydrophobicContact CG2-CD1 4.18Å; I377-F397 HydrophobicContact CG2-CE1 4.26Å; I377-V469 HydrophobicContact CD1-CG1 4.37Å; I377-V469 HydrophobicContact CG1-CG1 4.4Å; I377-V469 HydrophobicContact CG1-CG2 4.28Å; I377-L472 HydrophobicContact CD1-CB 4.5Å; I377-L472 HydrophobicContact CG2-CD1 3.71Å; I377-Q473 HydrophobicContact CD1-CG 3.92Å
378D95.7Very high96.3Very high115 Ų11554.6 Ų54.662%0.61529%0.29SS*.  trans-69.4121.6169.7-177.451.1000110.4T398D378-T398 PolarHBondContact OD2-OG1 3.32Å
379Y97.1Very high96.3Very high47 Ų4754.6 Ų54.618%0.18429%0.29CS..  trans-146.4158.8175.372.9-91.7000111.4L369 L372 D373 I377 V381 L395 R396L369-Y379 HydrophobicContact CD2-CD2 4.4Å; L369-Y379 HydrophobicContact CD2-CE2 3.6Å; L372-Y379 HydrophobicContact CB-CD1 3.63Å; L372-Y379 HydrophobicContact CB-CE1 3.53Å; L372-Y379 HydrophobicContact CD1-CD1 3.8Å; L372-Y379 HydrophobicContact CD1-CD2 4.47Å; L372-Y379 HydrophobicContact CD1-CE1 4.07Å; L372-Y379 HydrophobicContact CD1-CG 4.01Å; L372-Y379 HydrophobicContact CG-CD1 4.3Å; L372-Y379 HydrophobicContact CG-CE1 4.46Å; D373-Y379 WeakPolarHBondContact OD1-CE1 3.35Å; D373-Y379 PolarHBondContact OD1-OH 2.88Å; I377-Y379 WeakPolarHBondContact O-CD1 3.3Å; I377-Y379 PolarHBondContact O-N 3.28Å; Y379-V381 HydrophobicContact CD2-CG2 4.37Å; Y379-V381 HydrophobicContact CE2-CG2 4.02Å; Y379-L395 HydrophobicContact CD2-CD2 3.96Å; Y379-L395 HydrophobicContact CE2-CD2 4.39Å; Y379-R396 CarbonylContact C-O 3.5Å; Y379-R396 VanDerWaalsContact CA-O 3.3Å; Y379-R396 WeakPolarHBondContact CA-O 3.27Å
380Q96.9Very high96.2Very high68 Ų6854.2 Ų54.232%0.31829%0.288SS..EExtended strand (participates in β ladder)trans-126137.1171.4175.4-1733.800109.2L395 R396 Y437Q380-L395 CarbonylContact O-C 3.6Å; Q380-L395 WeakPolarHBondContact O-CA 3.29Å; Q380-R396 HydrophobicContact CB-CB 4.24Å; Q380-R396 PolarHBondContact N-O 3.11Å; Q380-R396 PolarHBondContact O-N 3.22Å; Q380-R396 VanDerWaalsContact OE1-NH1 3.15Å; Q380-Y437 PolarHBondContact NE2-OH 3.07Å; Q380-Y437 VanDerWaalsContact NE2-OH 3.16Å
381V97.1Very high96.1Very high26 Ų2652.6 Ų52.616%0.15828%0.278CS..EExtended strand (participates in β ladder)trans-83.4125167.7-176.20000109L369 Y379 L385 L393 N394 L395L369-V381 HydrophobicContact CD2-CG2 4.29Å; Y379-V381 HydrophobicContact CD2-CG2 4.37Å; Y379-V381 HydrophobicContact CE2-CG2 4.02Å; V381-L385 HydrophobicContact CB-CD1 4.42Å; V381-L385 HydrophobicContact CB-CD2 4.5Å; V381-L385 HydrophobicContact CB-CG 4.29Å; V381-L385 HydrophobicContact CG1-CD2 3.84Å; V381-L385 HydrophobicContact CG1-CG 3.96Å; V381-L385 HydrophobicContact CG2-CD1 4.04Å; V381-L385 HydrophobicContact CG2-CD2 4.29Å; V381-L385 HydrophobicContact CG2-CG 4.3Å; V381-L393 HydrophobicContact CG1-CD1 4.18Å; V381-N394 WeakPolarHBondContact CA-O 3.27Å; V381-L395 HydrophobicContact CG2-CD2 3.84Å
382N96.9Very high96Very high0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-84.6121.5168.6-64.2-48.7000108.7I249 N394 L433 Y437 S447I249-N382 HydrophobicContact CG2-CB 3.98Å; N382-N394 HydrophobicContact CB-CB 4.05Å; N382-N394 PolarHBondContact N-O 3.38Å; N382-N394 PolarHBondContact ND2-OD1 3Å; N382-L433 HydrophobicContact CB-CD2 4.03Å; N382-Y437 VanDerWaalsContact OD1-CE2 3.32Å; N382-Y437 WeakPolarHBondContact OD1-CE2 3.12Å; N382-Y437 PolarHBondContact OD1-OH 3.31Å; N382-S447 WeakPolarHBondContact ND2-CB 3.25Å; N382-S447 PolarHBondContact ND2-OG 3.11Å
383G95.3Very high96Very high12 Ų1251.8 Ų51.812%0.12427%0.273CS..SBendtrans114.9-176.1-17600000113.2K221 N251K221-G383 CarbonylContact O-C 3.54Å; K221-G383 VanDerWaalsContact O-C 3.31Å; K221-G383 VanDerWaalsContact O-CA 3.23Å; K221-G383 WeakPolarHBondContact O-CA 3.41Å; N251-G383 WeakPolarHBondContact OD1-CA 3.26Å
384D94.2Very high96Very high22 Ų2247.2 Ų47.212%0.11825%0.248CC..  trans-102.8110.3174.7-160.4-29.7000111.1K221 N223 N251 N386 N387 K388K221-D384 HydrophobicContact CB-CB 4.42Å; K221-D384 IonicContact NZ-OD2 2.71Å; K221-D384 PolarHBondContact O-N 2.93Å; N223-D384 PolarHBondContact ND2-OD2 3.21Å; N251-D384 PolarHBondContact ND2-N 2.6Å; N251-D384 PolarHBondContact OD1-N 3.04Å; D384-N386 PolarHBondContact O-N 3.27Å; D384-N386 VanDerWaalsContact O-N 3.13Å; D384-N386 PolarHBondContact OD1-N 3.46Å; D384-N386 PolarHBondContact OD1-ND2 3.33Å; D384-N387 HydrophobicContact CB-CB 4.41Å; D384-N387 CarbonylContact O-C 3.58Å; D384-N387 PolarHBondContact O-N 2.99Å; D384-N387 VanDerWaalsContact O-N 3.14Å; D384-K388 WeakPolarHBondContact O-CB 3.33Å
385L90.8Very high96Very high80 Ų8040 Ų4042%0.41921%0.214SC..THydrogen-bonded Turntrans-58.9-23.6177.7-79.5176.2000113.7L369 V381 K388L369-L385 HydrophobicContact CD1-CD1 4.34Å; V381-L385 HydrophobicContact CB-CD1 4.42Å; V381-L385 HydrophobicContact CB-CD2 4.5Å; V381-L385 HydrophobicContact CB-CG 4.29Å; V381-L385 HydrophobicContact CG1-CD2 3.84Å; V381-L385 HydrophobicContact CG1-CG 3.96Å; V381-L385 HydrophobicContact CG2-CD1 4.04Å; V381-L385 HydrophobicContact CG2-CD2 4.29Å; V381-L385 HydrophobicContact CG2-CG 4.3Å; L385-K388 HydrophobicContact CD2-CD 4.05Å
386N91.5Very high96Very high151 Ų15139.9 Ų39.981%0.80721%0.207SC*.THydrogen-bonded Turntrans-92.5-8.5-178-52-69.5000113.2D384D384-N386 PolarHBondContact O-N 3.27Å; D384-N386 VanDerWaalsContact O-N 3.13Å; D384-N386 PolarHBondContact OD1-N 3.46Å; D384-N386 PolarHBondContact OD1-ND2 3.33Å
387N94Very high96Very high65 Ų6532.8 Ų32.835%0.34817%0.169SC..SBendtrans-143.268.6-176.4-176.839.2000111.1N251 L252 D384N251-N387 WeakPolarHBondContact CA-O 3.34Å; L252-N387 PolarHBondContact N-O 2.97Å; L252-N387 PolarHBondContact O-ND2 3.14Å; D384-N387 HydrophobicContact CB-CB 4.41Å; D384-N387 CarbonylContact O-C 3.58Å; D384-N387 PolarHBondContact O-N 2.99Å; D384-N387 VanDerWaalsContact O-N 3.14Å
388K95.3Very high95.9Very high25 Ų2535.1 Ų35.111%0.10919%0.185CC..BIsolated β-bridgetrans-144.6161.3-173.761.3177.2-69.6-178.40113.9G250 D384 L385 V392G250-K388 CarbonylContact O-C 3.57Å; G250-K388 VanDerWaalsContact O-CA 3.28Å; G250-K388 WeakPolarHBondContact O-CA 3.3Å; D384-K388 WeakPolarHBondContact O-CB 3.33Å; L385-K388 HydrophobicContact CD2-CD 4.05Å; K388-V392 WeakPolarHBondContact CE-O 3.37Å; K388-V392 PolarHBondContact NZ-O 3.47Å
389L97.1Very high95.8Very high0 Ų030.1 Ų30.10%016%0.16CC..  trans-65.4125.1162.3-68.2172.3000109.1G250 L252 Q275 A276 Q280 H391 V392G250-L389 WeakPolarHBondContact O-CB 3.29Å; G250-L389 WeakPolarHBondContact O-CG 3.46Å; G250-L389 PolarHBondContact O-N 3.47Å; L252-L389 HydrophobicContact CD2-CD2 3.63Å; L252-L389 HydrophobicContact CD2-CG 3.87Å; L252-L389 HydrophobicContact CG-CD2 4.5Å; L252-L389 HydrophobicContact CG-CG 4.43Å; Q275-L389 HydrophobicContact CB-CD1 4.16Å; Q275-L389 HydrophobicContact CG-CD1 3.85Å; A276-L389 HydrophobicContact CB-CD2 4.04Å; Q280-L389 HydrophobicContact CG-CD2 3.85Å; L389-H391 PolarHBondContact O-N 3.33Å; L389-V392 PolarHBondContact O-N 3.05Å
390P96.4Very high95.7Very high4 Ų428.3 Ų28.33%0.02615%0.153CC..THydrogen-bonded Turntrans-69.5-23.2-170.130.2-38.2000112.3N279 R358 Y361 E362N279-P390 HydrophobicContact CB-CG 4.43Å; R358-P390 HydrophobicContact CB-CG 4.18Å; R358-P390 HydrophobicContact CG-CB 4.31Å; R358-P390 HydrophobicContact CG-CG 4.08Å; Y361-P390 WeakPolarHBondContact CB-O 3.45Å; E362-P390 HydrophobicContact CG-CB 3.91Å
391H97Very high95.5Very high11 Ų1127.8 Ų27.85%0.05115%0.153CC..THydrogen-bonded Turntrans-87.50.6-176.969.8-63.7000114.7Q275 N279 Y361 L389 S451 F452Q275-H391 PolarHBondContact NE2-NE2 3.41Å; Q275-H391 PolarHBondContact O-CE1 3.33Å; Q275-H391 VanDerWaalsContact O-CE1 3.24Å; Q275-H391 PolarHBondContact O-NE2 3.02Å; N279-H391 PolarHBondContact ND2-CE1 3.24Å; N279-H391 VanDerWaalsContact ND2-CG 3.32Å; N279-H391 PolarHBondContact ND2-ND1 3.35Å; Y361-H391 HydrophobicContact CD2-CB 3.49Å; Y361-H391 VanDerWaalsContact CD2-CB 3.49Å; Y361-H391 HydrophobicContact CE2-CB 3.9Å; Y361-H391 HydrophobicContact CG-CB 4.1Å; L389-H391 PolarHBondContact O-N 3.33Å; H391-S451 CarbonylContact O-C 3.56Å; H391-S451 WeakPolarHBondContact O-CA 3.33Å; H391-S451 WeakPolarHBondContact O-CB 3.44Å; H391-F452 WeakPolarHBondContact CB-O 3.47Å; H391-F452 PolarHBondContact O-N 3.14Å
392V97.5Very high95.3Very high0 Ų027 Ų270%015%0.148CC..EExtended strand (participates in β ladder)trans-120.9122.1-179-178.70000109.4A105 E248 Q275 K388 L389 R449A105-V392 HydrophobicContact CB-CG2 4.44Å; E248-V392 WeakPolarHBondContact O-CG1 3.35Å; Q275-V392 HydrophobicContact CG-CG2 4.5Å; K388-V392 WeakPolarHBondContact CE-O 3.37Å; K388-V392 PolarHBondContact NZ-O 3.47Å; L389-V392 PolarHBondContact O-N 3.05Å; V392-R449 HydrophobicContact CG1-CG 4.22Å
393L97.6Very high95Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-128.8117177.3177.963.1000109.4T365 V368 L369 V381 L395 V450 F452T365-L393 HydrophobicContact CG2-CD1 4.01Å; T365-L393 HydrophobicContact CG2-CD2 4.18Å; V368-L393 HydrophobicContact CB-CD2 4.29Å; V368-L393 HydrophobicContact CG1-CD2 4.12Å; L369-L393 HydrophobicContact CD2-CD2 4.4Å; V381-L393 HydrophobicContact CG1-CD1 4.18Å; L393-L395 HydrophobicContact CD1-CD2 3.89Å; L393-L395 HydrophobicContact CD1-CG 4.3Å; L393-L395 HydrophobicContact CD2-CD1 3.97Å; L393-L395 HydrophobicContact CD2-CD2 4.31Å; L393-L395 HydrophobicContact CD2-CG 4.16Å; L393-L395 HydrophobicContact CG-CD1 4.27Å; L393-L395 HydrophobicContact CG-CD2 4.05Å; L393-L395 HydrophobicContact CG-CG 3.92Å; L393-V450 HydrophobicContact CB-CB 4.43Å; L393-V450 PolarHBondContact N-O 3.39Å; L393-V450 PolarHBondContact O-N 3.3Å; L393-V450 VanDerWaalsContact O-O 3.07Å; L393-F452 HydrophobicContact CB-CE2 4.47Å
394N97.7Very high94.9Very high0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-109.7118176.8-165.4-55.1000109.4E248 I249 V381 N382 V448E248-N394 WeakPolarHBondContact CG-ND2 3.3Å; E248-N394 WeakPolarHBondContact O-CB 3.27Å; E248-N394 PolarHBondContact O-ND2 3Å; E248-N394 VanDerWaalsContact O-ND2 3.16Å; I249-N394 HydrophobicContact CG2-CB 4.31Å; V381-N394 WeakPolarHBondContact CA-O 3.27Å; N382-N394 HydrophobicContact CB-CB 4.05Å; N382-N394 PolarHBondContact N-O 3.38Å; N382-N394 PolarHBondContact ND2-OD1 3Å; N394-V448 WeakPolarHBondContact CA-O 3.41Å
395L97.7Very high94.9Very high2 Ų233 Ų331%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-117132.1-175.9-62.5174.8000109.6V368 L369 L372 Y379 Q380 V381 L393 F397 S447 V448V368-L395 HydrophobicContact CG1-CD1 3.99Å; L369-L395 HydrophobicContact CD2-CD2 3.86Å; L372-L395 HydrophobicContact CD1-CD1 3.98Å; Y379-L395 HydrophobicContact CD2-CD2 3.96Å; Y379-L395 HydrophobicContact CE2-CD2 4.39Å; Q380-L395 CarbonylContact O-C 3.6Å; Q380-L395 WeakPolarHBondContact O-CA 3.29Å; V381-L395 HydrophobicContact CG2-CD2 3.84Å; L393-L395 HydrophobicContact CD1-CD2 3.89Å; L393-L395 HydrophobicContact CD1-CG 4.3Å; L393-L395 HydrophobicContact CD2-CD1 3.97Å; L393-L395 HydrophobicContact CD2-CD2 4.31Å; L393-L395 HydrophobicContact CD2-CG 4.16Å; L393-L395 HydrophobicContact CG-CD1 4.27Å; L393-L395 HydrophobicContact CG-CD2 4.05Å; L393-L395 HydrophobicContact CG-CG 3.92Å; L395-F397 HydrophobicContact CB-CE2 3.75Å; L395-F397 HydrophobicContact CB-CZ 3.72Å; L395-F397 HydrophobicContact CD1-CE2 4.46Å; L395-F397 HydrophobicContact CD1-CZ 3.82Å; L395-F397 HydrophobicContact CG-CZ 4.4Å; L395-S447 CarbonylContact O-C 3.54Å; L395-S447 VanDerWaalsContact O-CA 3.27Å; L395-S447 WeakPolarHBondContact O-CA 3.44Å; L395-V448 PolarHBondContact N-O 2.68Å; L395-V448 PolarHBondContact O-N 3.09Å
396R96.8Very high95Very high29 Ų2930.7 Ų30.711%0.10916%0.164CC..EExtended strand (participates in β ladder)trans-101.5133.9169-177.7-135.6176.7156.12.1109.6Y379 Q380 E443 E446Y379-R396 CarbonylContact C-O 3.5Å; Y379-R396 VanDerWaalsContact CA-O 3.3Å; Y379-R396 WeakPolarHBondContact CA-O 3.27Å; Q380-R396 HydrophobicContact CB-CB 4.24Å; Q380-R396 PolarHBondContact N-O 3.11Å; Q380-R396 PolarHBondContact O-N 3.22Å; Q380-R396 VanDerWaalsContact OE1-NH1 3.15Å; R396-E443 HydrophobicContact CG-CG 4.42Å; R396-E443 IonicContact CZ-OE1 2.65Å; R396-E443 VanDerWaalsContact NH1-CD 3.33Å; R396-E443 IonicContact NH1-OE1 2.73Å; R396-E443 PolarHBondContact NH1-OE1 3.25Å; R396-E443 IonicContact NH2-OE1 2.8Å; R396-E446 CarbonylContact C-O 3.5Å; R396-E446 VanDerWaalsContact CA-O 3.29Å; R396-E446 WeakPolarHBondContact CA-O 3.44Å; R396-E446 HydrophobicContact CG-CB 3.93Å; R396-E446 IonicContact CZ-OE2 3.83Å; R396-E446 IonicContact NE-OE2 2.98Å; R396-E446 PolarHBondContact NE-OE2 3.34Å; R396-E446 IonicContact NH2-OE2 3.8Å; R396-E446 PolarHBondContact NH2-OE2 2.98Å
397F97.2Very high95Very high6 Ų629.1 Ų29.13%0.02615%0.154CC..  trans-117.6108.3174.4-59.5-74.1000109.5L372 I377 L395 G399 I400 L405 E446 L468 L472L372-F397 HydrophobicContact CD1-CE1 4.04Å; L372-F397 HydrophobicContact CD1-CZ 4.25Å; L372-F397 HydrophobicContact CD2-CE1 4.16Å; I377-F397 HydrophobicContact CG2-CD1 4.18Å; I377-F397 HydrophobicContact CG2-CE1 4.26Å; L395-F397 HydrophobicContact CB-CE2 3.75Å; L395-F397 HydrophobicContact CB-CZ 3.72Å; L395-F397 HydrophobicContact CD1-CE2 4.46Å; L395-F397 HydrophobicContact CD1-CZ 3.82Å; L395-F397 HydrophobicContact CG-CZ 4.4Å; F397-G399 PolarHBondContact O-N 3.25Å; F397-I400 HydrophobicContact CB-CB 3.89Å; F397-I400 HydrophobicContact CB-CG1 3.84Å; F397-I400 PolarHBondContact O-N 2.89Å; F397-L405 HydrophobicContact CD2-CD2 3.88Å; F397-L405 HydrophobicContact CE2-CD2 4.14Å; F397-E446 PolarHBondContact N-O 3.18Å; F397-L468 HydrophobicContact CE2-CD1 4.46Å; F397-L468 HydrophobicContact CZ-CD1 4.41Å; F397-L468 HydrophobicContact CZ-CD2 3.99Å; F397-L472 HydrophobicContact CB-CD2 3.88Å; F397-L472 HydrophobicContact CD1-CD1 3.54Å; F397-L472 HydrophobicContact CD1-CD2 3.86Å; F397-L472 HydrophobicContact CD1-CG 4.37Å; F397-L472 HydrophobicContact CD2-CD2 3.83Å; F397-L472 HydrophobicContact CE1-CD1 3.41Å; F397-L472 VanDerWaalsContact CE1-CD1 3.41Å; F397-L472 HydrophobicContact CE1-CD2 4.36Å; F397-L472 HydrophobicContact CE2-CD1 4.43Å; F397-L472 HydrophobicContact CE2-CD2 4.34Å; F397-L472 HydrophobicContact CG-CD1 4.12Å; F397-L472 HydrophobicContact CG-CD2 3.56Å; F397-L472 HydrophobicContact CZ-CD1 3.9Å
398T94.2Very high94.9Very high75 Ų7527.9 Ų27.946%0.4615%0.145SC..THydrogen-bonded Turntrans-53.8121.9-172.7-54.80000111.5D378 I400D378-T398 PolarHBondContact OD2-OG1 3.32Å; T398-I400 VanDerWaalsContact C-N 3.26Å; T398-I400 PolarHBondContact O-N 3.34Å
399G93.3Very high94.9Very high9 Ų926.7 Ų26.79%0.09314%0.14CC..THydrogen-bonded Turntrans76.31.3178.800000116.4F397 E446 R479F397-G399 PolarHBondContact O-N 3.25Å; G399-E446 VanDerWaalsContact CA-OE1 3.23Å; G399-E446 WeakPolarHBondContact CA-OE1 3.36Å; G399-E446 PolarHBondContact N-OE1 2.62Å; G399-E446 PolarHBondContact N-OE2 3.08Å; G399-R479 VanDerWaalsContact C-NH2 3.29Å; G399-R479 PolarHBondContact O-NE 3.47Å; G399-R479 PolarHBondContact O-NH2 3.44Å
400I94.8Very high94.6Very high9 Ų931.8 Ų31.85%0.04617%0.167CC..  trans-94.8117.4175.9-54.7-57.1000108.9F397 T398 N402 L405 E446 L472 L475F397-I400 HydrophobicContact CB-CB 3.89Å; F397-I400 HydrophobicContact CB-CG1 3.84Å; F397-I400 PolarHBondContact O-N 2.89Å; T398-I400 VanDerWaalsContact C-N 3.26Å; T398-I400 PolarHBondContact O-N 3.34Å; I400-N402 PolarHBondContact O-N 3.03Å; I400-L405 HydrophobicContact CG2-CB 4.13Å; I400-L405 HydrophobicContact CG2-CD2 4.28Å; I400-E446 WeakPolarHBondContact O-CA 3.5Å; I400-L472 HydrophobicContact CB-CD2 4.45Å; I400-L472 HydrophobicContact CG1-CD2 4.07Å; I400-L472 HydrophobicContact CG2-CD2 4.09Å; I400-L475 HydrophobicContact CD1-CB 3.93Å; I400-L475 HydrophobicContact CG2-CB 4.38Å; I400-L475 HydrophobicContact CG2-CD1 3.87Å
401N93.2Very high94.3Very high58 Ų5837.3 Ų37.331%0.3120%0.196SC..  trans-66.6125.1172.2172.8-92.8000109.9D403 L404 L405N401-D403 PolarHBondContact O-N 3.4Å; N401-D403 WeakPolarHBondContact OD1-CB 3.5Å; N401-D403 PolarHBondContact OD1-N 3.11Å; N401-L404 HydrophobicContact CB-CD1 4.27Å; N401-L404 HydrophobicContact CB-CG 4.38Å; N401-L404 PolarHBondContact O-N 3.21Å; N401-L404 PolarHBondContact OD1-N 2.98Å; N401-L405 PolarHBondContact O-N 3.48Å
402N92.9Very high94Very high9 Ų938.6 Ų38.65%0.04820%0.202CC..Hα-helixtrans-64.2-38.2-175.958.25.9000113.2I400 L404 L405 L406 T418 I444 K445 S447 V448I400-N402 PolarHBondContact O-N 3.03Å; N402-L404 VanDerWaalsContact C-N 3.33Å; N402-L404 PolarHBondContact O-N 3.37Å; N402-L405 PolarHBondContact O-N 2.89Å; N402-L405 VanDerWaalsContact O-N 3.11Å; N402-L406 WeakPolarHBondContact O-CB 3.15Å; N402-L406 VanDerWaalsContact O-CG 3.3Å; N402-L406 WeakPolarHBondContact O-CG 3.4Å; N402-L406 PolarHBondContact O-N 2.81Å; N402-T418 HydrophobicContact CB-CG2 4.07Å; N402-T418 VanDerWaalsContact ND2-CG2 3.33Å; N402-T418 WeakPolarHBondContact ND2-CG2 3.33Å; N402-I444 PolarHBondContact ND2-O 3.39Å; N402-K445 PolarHBondContact N-O 3.18Å; N402-K445 PolarHBondContact OD1-O 3.45Å; N402-S447 VanDerWaalsContact CB-O 3.25Å; N402-S447 WeakPolarHBondContact CB-O 3.44Å; N402-S447 PolarHBondContact ND2-O 3.05Å; N402-V448 HydrophobicContact CB-CG2 3.95Å
403D90.6Very high93.7Very high64 Ų6439.2 Ų39.234%0.34221%0.209SC..Hα-helixtrans-59.2-43.2178.1-56.2-40.4000112.2N401 M407 I427N401-D403 PolarHBondContact O-N 3.4Å; N401-D403 WeakPolarHBondContact OD1-CB 3.5Å; N401-D403 PolarHBondContact OD1-N 3.11Å; D403-M407 WeakPolarHBondContact O-CB 3.23Å; D403-M407 PolarHBondContact O-N 3.2Å; D403-I427 WeakPolarHBondContact OD1-CD1 3.2Å
404L92.5Very high93.6Very high94 Ų9439.3 Ų39.349%0.49221%0.209SC..Hα-helixtrans-65.7-38.9176-67.3-179.8000112N401 N402 K408 L475N401-L404 HydrophobicContact CB-CD1 4.27Å; N401-L404 HydrophobicContact CB-CG 4.38Å; N401-L404 PolarHBondContact O-N 3.21Å; N401-L404 PolarHBondContact OD1-N 2.98Å; N402-L404 VanDerWaalsContact C-N 3.33Å; N402-L404 PolarHBondContact O-N 3.37Å; L404-K408 WeakPolarHBondContact O-CB 3.04Å; L404-K408 PolarHBondContact O-N 2.94Å; L404-K408 VanDerWaalsContact O-N 3.08Å; L404-L475 HydrophobicContact CB-CD2 4.17Å
405L94.7Very high93.4Very high1 Ų140.9 Ų40.91%0.00522%0.222CC..Hα-helixtrans-67.1-46.1177.1-178.158.1000111.3F397 I400 N401 N402 M407 K408 L409 V448 L468 L472 L475F397-L405 HydrophobicContact CD2-CD2 3.88Å; F397-L405 HydrophobicContact CE2-CD2 4.14Å; I400-L405 HydrophobicContact CG2-CB 4.13Å; I400-L405 HydrophobicContact CG2-CD2 4.28Å; N401-L405 PolarHBondContact O-N 3.48Å; N402-L405 PolarHBondContact O-N 2.89Å; N402-L405 VanDerWaalsContact O-N 3.11Å; L405-M407 PolarHBondContact O-N 3.16Å; L405-K408 PolarHBondContact O-N 2.93Å; L405-L409 HydrophobicContact CD1-CD1 4.16Å; L405-L409 HydrophobicContact CD1-CG 4.25Å; L405-L409 HydrophobicContact CG-CD1 4.02Å; L405-L409 WeakPolarHBondContact O-CG 3.46Å; L405-L409 PolarHBondContact O-N 3.35Å; L405-V448 HydrophobicContact CD2-CG2 3.91Å; L405-L468 HydrophobicContact CD1-CD1 4.13Å; L405-L468 HydrophobicContact CD2-CD1 4.24Å; L405-L472 HydrophobicContact CD1-CD2 4.07Å; L405-L472 HydrophobicContact CD2-CD2 3.7Å; L405-L475 HydrophobicContact CB-CD1 4.08Å; L405-L475 HydrophobicContact CD1-CD1 4.05Å
406L92.8Very high93.3Very high32 Ų3241.8 Ų41.817%0.16823%0.228CC..Hα-helixtrans-58.5-47.6176.5-71-177.3000111.5N402 K408 L409 D410 V416 T418 V448N402-L406 WeakPolarHBondContact O-CB 3.15Å; N402-L406 VanDerWaalsContact O-CG 3.3Å; N402-L406 WeakPolarHBondContact O-CG 3.4Å; N402-L406 PolarHBondContact O-N 2.81Å; L406-K408 VanDerWaalsContact C-N 3.28Å; L406-K408 PolarHBondContact O-N 3.27Å; L406-L409 PolarHBondContact O-N 2.86Å; L406-D410 WeakPolarHBondContact O-CB 3.3Å; L406-D410 PolarHBondContact O-N 3.29Å; L406-V416 HydrophobicContact CD2-CB 4.06Å; L406-V416 HydrophobicContact CD2-CG2 3.38Å; L406-V416 WeakPolarHBondContact CD2-O 2.89Å; L406-T418 HydrophobicContact CD1-CG2 3.49Å; L406-T418 VanDerWaalsContact CD1-CG2 3.49Å; L406-V448 HydrophobicContact CD2-CG1 4.02Å; L406-V448 HydrophobicContact CD2-CG2 4.34Å
407M91.5Very high93.1Very high119 Ų11941.1 Ų41.159%0.58623%0.228SC*.Hα-helixtrans-60.3-39176.9-175.5-175.5-61.800111.9D403 L405 L411D403-M407 WeakPolarHBondContact O-CB 3.23Å; D403-M407 PolarHBondContact O-N 3.2Å; L405-M407 PolarHBondContact O-N 3.16Å; M407-L411 VanDerWaalsContact O-CG 3.32Å; M407-L411 WeakPolarHBondContact O-CG 3.33Å; M407-L411 PolarHBondContact O-N 3.32Å
408K92.9Very high92.7Very high38 Ų3841.1 Ų41.117%0.16523%0.228CC..Hα-helixtrans-68.3-43.7179.2-172.6169.8176-178.70111.9L404 L405 L406 L411 Q412 P470 S471 E474L404-K408 WeakPolarHBondContact O-CB 3.04Å; L404-K408 PolarHBondContact O-N 2.94Å; L404-K408 VanDerWaalsContact O-N 3.08Å; L405-K408 PolarHBondContact O-N 2.93Å; L406-K408 VanDerWaalsContact C-N 3.28Å; L406-K408 PolarHBondContact O-N 3.27Å; K408-L411 PolarHBondContact O-N 2.91Å; K408-Q412 WeakPolarHBondContact O-CG 3.31Å; K408-Q412 PolarHBondContact O-N 3.5Å; K408-P470 PolarHBondContact NZ-O 3.45Å; K408-S471 WeakPolarHBondContact CD-OG 3.28Å; K408-S471 WeakPolarHBondContact CE-OG 3.41Å; K408-S471 VanDerWaalsContact NZ-CA 3.35Å; K408-E474 IonicContact NZ-OE2 3.45Å; K408-E474 PolarHBondContact NZ-OE2 3.49Å
409L93.9Very high91.8Very high0 Ų038 Ų380%021%0.211CC..Hα-helixtrans-64.6-39.9175.7-68.5170.9000111.3L405 L406 L411 Q412 G413 I414 V416 F464 L468L405-L409 HydrophobicContact CD1-CD1 4.16Å; L405-L409 HydrophobicContact CD1-CG 4.25Å; L405-L409 HydrophobicContact CG-CD1 4.02Å; L405-L409 WeakPolarHBondContact O-CG 3.46Å; L405-L409 PolarHBondContact O-N 3.35Å; L406-L409 PolarHBondContact O-N 2.86Å; L409-L411 PolarHBondContact O-N 3.15Å; L409-Q412 CarbonylContact O-C 3.39Å; L409-Q412 WeakPolarHBondContact O-CA 3.41Å; L409-Q412 WeakPolarHBondContact O-CB 3.44Å; L409-Q412 PolarHBondContact O-N 3.18Å; L409-G413 PolarHBondContact O-N 3.18Å; L409-I414 CarbonylContact C-O 3.51Å; L409-I414 HydrophobicContact CB-CB 4.24Å; L409-I414 HydrophobicContact CD2-CD1 4.27Å; L409-I414 PolarHBondContact O-N 3.45Å; L409-V416 HydrophobicContact CB-CG2 4.21Å; L409-V416 HydrophobicContact CD1-CG2 3.51Å; L409-F464 HydrophobicContact CD1-CE2 4.22Å; L409-F464 HydrophobicContact CD2-CE2 4.32Å; L409-L468 HydrophobicContact CD1-CD1 4.32Å
410D92.2Very high90.6Very high107 Ų10738.5 Ų38.557%0.57221%0.213SC*.Hα-helixtrans-61.2-42.4175.4-178.772.5000112.1L406 Q412 G413 I414L406-D410 WeakPolarHBondContact O-CB 3.3Å; L406-D410 PolarHBondContact O-N 3.29Å; D410-Q412 PolarHBondContact O-N 2.97Å; D410-G413 WeakPolarHBondContact O-CA 3.34Å; D410-G413 PolarHBondContact O-N 2.98Å; D410-I414 PolarHBondContact N-O 3.39Å
411L88.8Confident88.6Confident121 Ų12141 Ų4163%0.63424%0.235SC*.Hα-helixtrans-63.1-21.2173.2-72.1173.8000113.4M407 K408 L409 G413M407-L411 VanDerWaalsContact O-CG 3.32Å; M407-L411 WeakPolarHBondContact O-CG 3.33Å; M407-L411 PolarHBondContact O-N 3.32Å; K408-L411 PolarHBondContact O-N 2.91Å; L409-L411 PolarHBondContact O-N 3.15Å; L411-G413 VanDerWaalsContact C-N 3.34Å
412Q90.5Very high86.3Confident37 Ų3742.4 Ų42.417%0.17325%0.248CC..THydrogen-bonded Turntrans-91.26.5172.7-64.9170.5-42.600112.5V97 K408 L409 D410 I414 S471V97-Q412 WeakPolarHBondContact CG1-O 3.38Å; K408-Q412 WeakPolarHBondContact O-CG 3.31Å; K408-Q412 PolarHBondContact O-N 3.5Å; L409-Q412 CarbonylContact O-C 3.39Å; L409-Q412 WeakPolarHBondContact O-CA 3.41Å; L409-Q412 WeakPolarHBondContact O-CB 3.44Å; L409-Q412 PolarHBondContact O-N 3.18Å; D410-Q412 PolarHBondContact O-N 2.97Å; Q412-I414 VanDerWaalsContact C-N 3.35Å; Q412-I414 HydrophobicContact CB-CD1 4.3Å; Q412-S471 PolarHBondContact NE2-OG 3.25Å; Q412-S471 PolarHBondContact OE1-OG 3.35Å
413G91.3Very high83.5Confident14 Ų1445.8 Ų45.814%0.14427%0.269CS..THydrogen-bonded Turntrans77.716-179.300000114.1N99 I100 L409 D410 L411N99-G413 CarbonylContact C-O 3.55Å; N99-G413 VanDerWaalsContact CA-O 3.27Å; N99-G413 WeakPolarHBondContact CA-O 3.22Å; I100-G413 PolarHBondContact N-O 3.28Å; L409-G413 PolarHBondContact O-N 3.18Å; D410-G413 WeakPolarHBondContact O-CA 3.34Å; D410-G413 PolarHBondContact O-N 2.98Å; L411-G413 VanDerWaalsContact C-N 3.34Å
414I95.4Very high81Confident1 Ų148.3 Ų48.31%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-109.6115.2-177.9-59.2160.7000109.7I100 L102 L409 D410 Q412 V416 Y463 F464 Q467I100-I414 HydrophobicContact CB-CG1 4.45Å; I100-I414 HydrophobicContact CD1-CG1 4.44Å; I100-I414 WeakPolarHBondContact O-CA 3.37Å; L102-I414 HydrophobicContact CD1-CG2 3.99Å; L409-I414 CarbonylContact C-O 3.51Å; L409-I414 HydrophobicContact CB-CB 4.24Å; L409-I414 HydrophobicContact CD2-CD1 4.27Å; L409-I414 PolarHBondContact O-N 3.45Å; D410-I414 PolarHBondContact N-O 3.39Å; Q412-I414 VanDerWaalsContact C-N 3.35Å; Q412-I414 HydrophobicContact CB-CD1 4.3Å; I414-V416 HydrophobicContact CG2-CG1 4.39Å; I414-Y463 HydrophobicContact CD1-CD1 4.21Å; I414-Y463 HydrophobicContact CD1-CE1 4.04Å; I414-Y463 HydrophobicContact CG1-CE1 4.41Å; I414-F464 HydrophobicContact CD1-CD2 4.28Å; I414-F464 HydrophobicContact CG2-CD2 3.75Å; I414-F464 HydrophobicContact CG2-CE2 4.3Å; I414-Q467 HydrophobicContact CD1-CB 3.85Å; I414-Q467 HydrophobicContact CD1-CG 4.12Å
415A94.3Very high78.5Confident34 Ų3447.9 Ų47.928%0.28132%0.317SS..EExtended strand (participates in β ladder)trans-95.2115.217900000111.4I100 Y101 L102I100-A415 PolarHBondContact O-N 2.87Å; Y101-A415 HydrophobicContact CD2-CB 3.88Å; Y101-A415 HydrophobicContact CE2-CB 4.45Å; L102-A415 CarbonylContact C-O 3.55Å; L102-A415 VanDerWaalsContact C-O 3.3Å; L102-A415 VanDerWaalsContact CA-O 3.28Å; L102-A415 WeakPolarHBondContact CA-O 3.33Å; L102-A415 WeakPolarHBondContact CB-O 3.41Å; L102-A415 PolarHBondContact N-O 3.24Å
416V95.3Very high76.3Confident20 Ų2052 Ų5212%0.12134%0.343CS..  trans-133.2170.3174.2-77.20000109.2L102 L406 L409 I414 V448 V450 F464L102-V416 HydrophobicContact CB-CG1 3.75Å; L102-V416 HydrophobicContact CD1-CG1 4.28Å; L406-V416 HydrophobicContact CD2-CB 4.06Å; L406-V416 HydrophobicContact CD2-CG2 3.38Å; L406-V416 WeakPolarHBondContact CD2-O 2.89Å; L409-V416 HydrophobicContact CB-CG2 4.21Å; L409-V416 HydrophobicContact CD1-CG2 3.51Å; I414-V416 HydrophobicContact CG2-CG1 4.39Å; V416-V448 HydrophobicContact CB-CG1 4.11Å; V416-V448 HydrophobicContact CG2-CG1 4.14Å; V416-V450 HydrophobicContact CG1-CG1 4.46Å; V416-V450 HydrophobicContact CG1-CG2 4.15Å; V416-F464 HydrophobicContact CG1-CE2 4.36Å
417S92.4Very high74.6Confident16 Ų1654.3 Ų54.311%0.11236%0.355CS..BIsolated β-bridgetrans-134.8172.2-178.663.40000112.9D103 R449D103-S417 VanDerWaalsContact OD1-CB 3.27Å; D103-S417 WeakPolarHBondContact OD1-CB 3.42Å; D103-S417 PolarHBondContact OD1-OG 2.62Å; S417-R449 PolarHBondContact N-O 2.65Å; S417-R449 WeakPolarHBondContact O-CA 3.32Å; S417-R449 PolarHBondContact O-N 3.16Å; S417-R449 VanDerWaalsContact O-O 3.1Å; S417-R449 PolarHBondContact OG-NE 2.8Å; S417-R449 PolarHBondContact OG-NH2 3.04Å
418T88.2Confident73.7Confident5 Ų552.8 Ų52.83%0.03135%0.349CS..  trans-86.7-15.8172.553.20000113.2N402 L406 S420N402-T418 HydrophobicContact CB-CG2 4.07Å; N402-T418 VanDerWaalsContact ND2-CG2 3.33Å; N402-T418 WeakPolarHBondContact ND2-CG2 3.33Å; L406-T418 HydrophobicContact CD1-CG2 3.49Å; L406-T418 VanDerWaalsContact CD1-CG2 3.49Å; T418-S420 VanDerWaalsContact C-N 3.34Å; T418-S420 PolarHBondContact OG1-OG 2.77Å
419G76.6Confident73.2Confident10 Ų1054.1 Ų54.110%0.10336%0.362CS..SBendtrans95.9-32.2-172.400000114.3
420S67.4Low73.1Confident19 Ų1954.2 Ų54.213%0.13336%0.362CS..SBendtrans-70.2148.6173.318.20000113.1T418 C422 D428T418-S420 VanDerWaalsContact C-N 3.34Å; T418-S420 PolarHBondContact OG1-OG 2.77Å; S420-C422 PolarHBondContact O-N 2.95Å; S420-D428 WeakPolarHBondContact CB-O 3.29Å
421A53.4Low73.1Confident62 Ų6251.6 Ų51.651%0.51235%0.346SS..  trans-70.7122.2174.200000110.5
422C44.4Very low73.4Confident87 Ų8745.8 Ų45.859%0.58832%0.316SS*.EExtended strand (participates in β ladder)trans-88.4108.7167.3-63.70000108.4S420S420-C422 PolarHBondContact O-N 2.95Å
423T34Very low73.7Confident80 Ų8044.1 Ų44.149%0.49131%0.308SS..EExtended strand (participates in β ladder)trans-86.7150.216252.70000108.5G425 T426T423-G425 PolarHBondContact O-N 3.12Å; T423-T426 PolarHBondContact N-O 3.32Å; T423-T426 PolarHBondContact O-N 2.84Å
424A39.2Very low73.9Confident117 Ų11745.6 Ų45.697%0.96731%0.311SS*.THydrogen-bonded Turntrans-46.989.3-169.900000114.3
425G38.8Very low74Confident85 Ų8546.7 Ų46.788%0.87632%0.32SS*.THydrogen-bonded Turntrans107.6-11.5176.400000116.9T423T423-G425 PolarHBondContact O-N 3.12Å
426T48.2Very low74.1Confident89 Ų8945.5 Ų45.555%0.54631%0.309SS..EExtended strand (participates in β ladder)trans-130.1121178.2100000111.2T423 D428T423-T426 PolarHBondContact N-O 3.32Å; T423-T426 PolarHBondContact O-N 2.84Å; T426-D428 PolarHBondContact O-N 3.19Å
427I57.8Low74.2Confident80 Ų8046.3 Ų46.341%0.4131%0.31SS..EExtended strand (participates in β ladder)trans-84.7105.5169.8-56.1177.6000106D403D403-I427 WeakPolarHBondContact OD1-CD1 3.2Å
428D71.6Confident74.3Confident87 Ų8747 Ų4747%0.46532%0.32SS..  trans-68.4139.8169.9-74.7-35.2000108.7S420 T426S420-D428 WeakPolarHBondContact CB-O 3.29Å; T426-D428 PolarHBondContact O-N 3.19Å
429P82.5Confident74.5Confident66 Ų6654.5 Ų54.543%0.42935%0.352SS..  trans-59144.6175.825.7-33.1000110.4H431 E434 I444P429-H431 PolarHBondContact O-N 3.07Å; P429-H431 VanDerWaalsContact O-N 3.09Å; P429-E434 WeakPolarHBondContact CG-OE1 3.45Å; P429-I444 HydrophobicContact CB-CG2 3.58Å
430S91.7Very high75.3Confident2 Ų264 Ų641%0.01439%0.391CS..  trans-60.5112.6174.6164.50000110.9E248 V432 L433 E434E248-S430 WeakPolarHBondContact OE1-CB 3.41Å; E248-S430 PolarHBondContact OE1-OG 3.48Å; E248-S430 PolarHBondContact OE2-OG 2.81Å; S430-V432 PolarHBondContact O-N 2.84Å; S430-V432 PolarHBondContact OG-N 2.92Å; S430-L433 PolarHBondContact O-N 3.37Å; S430-L433 WeakPolarHBondContact OG-CG 3.33Å; S430-L433 PolarHBondContact OG-N 3.46Å; S430-E434 WeakPolarHBondContact O-CB 3.22Å; S430-E434 VanDerWaalsContact O-CG 3.28Å; S430-E434 WeakPolarHBondContact O-CG 3.46Å; S430-E434 PolarHBondContact O-N 3.02Å
431H93Very high76.6Confident51 Ų5163.8 Ų63.824%0.23639%0.389CS..Hα-helixtrans-64.6-25.6174.868.4-82.8000111.9Q193 E195 I200 P429 A435Q193-H431 PolarHBondContact O-CD2 3.17Å; E195-H431 PolarHBondContact O-CE1 3.04Å; E195-H431 PolarHBondContact O-NE2 2.7Å; I200-H431 WeakPolarHBondContact CD1-CD2 3.33Å; I200-H431 VanDerWaalsContact CD1-NE2 3.35Å; I200-H431 WeakPolarHBondContact CD1-NE2 3.5Å; P429-H431 PolarHBondContact O-N 3.07Å; P429-H431 VanDerWaalsContact O-N 3.09Å; H431-A435 WeakPolarHBondContact O-CB 3.43Å; H431-A435 PolarHBondContact O-N 3.3Å
432V96Very high78.5Confident0 Ų063.9 Ų63.90%039%0.385CS..Hα-helixtrans-67.7-50.6176.5179.60000110.3I194 E248 I249 S430 E434 A435 M436I194-V432 HydrophobicContact CB-CG1 4.17Å; I194-V432 HydrophobicContact CB-CG2 4.22Å; I194-V432 HydrophobicContact CG2-CB 4.42Å; I194-V432 HydrophobicContact CG2-CG1 3.99Å; E248-V432 HydrophobicContact CB-CB 4.43Å; E248-V432 HydrophobicContact CB-CG1 4.46Å; E248-V432 HydrophobicContact CB-CG2 4.22Å; I249-V432 HydrophobicContact CD1-CG1 4.16Å; I249-V432 HydrophobicContact CG1-CG1 4.25Å; I249-V432 HydrophobicContact CG2-CG1 4.06Å; S430-V432 PolarHBondContact O-N 2.84Å; S430-V432 PolarHBondContact OG-N 2.92Å; V432-E434 VanDerWaalsContact C-N 3.32Å; V432-E434 PolarHBondContact O-N 3.43Å; V432-A435 WeakPolarHBondContact O-CB 3.47Å; V432-A435 PolarHBondContact O-N 2.94Å; V432-M436 HydrophobicContact CG1-SD 4.31Å; V432-M436 WeakPolarHBondContact O-CG 3.2Å; V432-M436 PolarHBondContact O-N 2.92Å; V432-M436 VanDerWaalsContact O-N 3.09Å
433L96.3Very high80.9Confident2 Ų260.9 Ų60.91%0.0136%0.362CS..Hα-helixtrans-68.8-32.3177-61.9176.6000111.6I249 N382 S430 A435 M436 Y437 I444I249-L433 HydrophobicContact CG2-CD2 4.42Å; N382-L433 HydrophobicContact CB-CD2 4.03Å; S430-L433 PolarHBondContact O-N 3.37Å; S430-L433 WeakPolarHBondContact OG-CG 3.33Å; S430-L433 PolarHBondContact OG-N 3.46Å; L433-A435 VanDerWaalsContact C-N 3.34Å; L433-M436 HydrophobicContact CD2-SD 4.28Å; L433-M436 PolarHBondContact O-N 2.8Å; L433-Y437 HydrophobicContact CB-CD2 4.4Å; L433-Y437 HydrophobicContact CD2-CD2 4.32Å; L433-Y437 HydrophobicContact CD2-CE2 3.93Å; L433-Y437 WeakPolarHBondContact O-CD2 3.34Å; L433-Y437 PolarHBondContact O-N 3.06Å; L433-I444 HydrophobicContact CB-CG1 3.95Å
434E95.8Very high83.7Confident45 Ų4557.8 Ų57.821%0.2134%0.342CS..Hα-helixtrans-61.7-39.8170.1-73.9-167.4163.100112.4P429 S430 V432 G438 K439 I444P429-E434 WeakPolarHBondContact CG-OE1 3.45Å; S430-E434 WeakPolarHBondContact O-CB 3.22Å; S430-E434 VanDerWaalsContact O-CG 3.28Å; S430-E434 WeakPolarHBondContact O-CG 3.46Å; S430-E434 PolarHBondContact O-N 3.02Å; V432-E434 VanDerWaalsContact C-N 3.32Å; V432-E434 PolarHBondContact O-N 3.43Å; E434-G438 WeakPolarHBondContact O-CA 3.43Å; E434-G438 PolarHBondContact O-N 2.85Å; E434-K439 HydrophobicContact CG-CG 4.35Å; E434-I444 HydrophobicContact CB-CD1 4.44Å; E434-I444 HydrophobicContact CG-CD1 3.49Å; E434-I444 VanDerWaalsContact CG-CD1 3.49Å; E434-I444 HydrophobicContact CG-CG1 4.21Å
435A96.7Very high86.3Confident23 Ų2359 Ų5919%0.1933%0.326CS..Hα-helixtrans-67.2-39177.100000111.8Q193 I194 V218 H431 V432 L433Q193-A435 HydrophobicContact CB-CB 3.74Å; I194-A435 HydrophobicContact CG2-CB 3.72Å; V218-A435 HydrophobicContact CG2-CB 3.97Å; H431-A435 WeakPolarHBondContact O-CB 3.43Å; H431-A435 PolarHBondContact O-N 3.3Å; V432-A435 WeakPolarHBondContact O-CB 3.47Å; V432-A435 PolarHBondContact O-N 2.94Å; L433-A435 VanDerWaalsContact C-N 3.34Å
436M97.2Very high89Confident10 Ų1056.4 Ų56.45%0.04929%0.291CS..Hα-helixtrans-73.7-39.2-179.9-67.1171.468.700113.6V218 R220 I249 V432 L433V218-M436 HydrophobicContact CG2-CG 4.01Å; R220-M436 WeakPolarHBondContact O-CE 3.06Å; I249-M436 HydrophobicContact CD1-CE 4.38Å; I249-M436 HydrophobicContact CD1-SD 3.73Å; I249-M436 HydrophobicContact CG2-SD 4.06Å; V432-M436 HydrophobicContact CG1-SD 4.31Å; V432-M436 WeakPolarHBondContact O-CG 3.2Å; V432-M436 PolarHBondContact O-N 2.92Å; V432-M436 VanDerWaalsContact O-N 3.09Å; L433-M436 HydrophobicContact CD2-SD 4.28Å; L433-M436 PolarHBondContact O-N 2.8Å
437Y96.8Very high91.3Very high36 Ų3652.1 Ų52.114%0.14127%0.265CS..Hα-helixtrans-125.3-15.3-166.9-53.8-63.3000114.7R220 Q380 N382 L433 E443R220-Y437 HydrophobicContact CB-CE1 4.46Å; Q380-Y437 PolarHBondContact NE2-OH 3.07Å; Q380-Y437 VanDerWaalsContact NE2-OH 3.16Å; N382-Y437 VanDerWaalsContact OD1-CE2 3.32Å; N382-Y437 WeakPolarHBondContact OD1-CE2 3.12Å; N382-Y437 PolarHBondContact OD1-OH 3.31Å; L433-Y437 HydrophobicContact CB-CD2 4.4Å; L433-Y437 HydrophobicContact CD2-CD2 4.32Å; L433-Y437 HydrophobicContact CD2-CE2 3.93Å; L433-Y437 WeakPolarHBondContact O-CD2 3.34Å; L433-Y437 PolarHBondContact O-N 3.06Å; Y437-E443 HydrophobicContact CD1-CG 4.35Å; Y437-E443 HydrophobicContact CD2-CB 3.54Å; Y437-E443 HydrophobicContact CD2-CG 3.65Å; Y437-E443 HydrophobicContact CE1-CG 4.48Å; Y437-E443 HydrophobicContact CE2-CB 3.88Å; Y437-E443 HydrophobicContact CE2-CG 3.77Å; Y437-E443 HydrophobicContact CG-CB 4.16Å; Y437-E443 HydrophobicContact CG-CG 3.93Å
438G95.5Very high93.1Very high30 Ų3048.5 Ų48.531%0.30925%0.247SC..  trans97155.4-178.200000114.1E434 K440 A441 I444E434-G438 WeakPolarHBondContact O-CA 3.43Å; E434-G438 PolarHBondContact O-N 2.85Å; G438-K440 PolarHBondContact O-N 2.7Å; G438-A441 WeakPolarHBondContact O-CB 3.27Å; G438-A441 PolarHBondContact O-N 3.36Å; G438-I444 WeakPolarHBondContact O-CD1 3.37Å
439K92.2Very high94.3Very high164 Ų16445 Ų4571%0.71323%0.227SC*.THydrogen-bonded Turntrans-57.4-17.2-171.7-61.5-169.6172.6-177.30117.7E434E434-K439 HydrophobicContact CG-CG 4.35Å
440K92.4Very high95Very high210 Ų21041.9 Ų41.991%0.91321%0.207SC*.THydrogen-bonded Turntrans-111.98.2-179.2-63-175.3-179.4179.80112.3G438G438-K440 PolarHBondContact O-N 2.7Å
441A94.1Very high95.3Very high13 Ų1341.8 Ų41.811%0.10721%0.206CC..  trans-66.2129.1-178.400000110.2G438 E443 I444G438-A441 WeakPolarHBondContact O-CB 3.27Å; G438-A441 PolarHBondContact O-N 3.36Å; A441-E443 VanDerWaalsContact CB-OE2 3.28Å; A441-E443 WeakPolarHBondContact CB-OE2 3.22Å; A441-E443 PolarHBondContact O-N 3.07Å; A441-I444 HydrophobicContact CB-CD1 4.26Å; A441-I444 HydrophobicContact CB-CG1 4.49Å; A441-I444 PolarHBondContact O-N 3.2Å
442P94.1Very high95.6Very high64 Ų6439.4 Ų39.442%0.41620%0.195SC..THydrogen-bonded Turntrans-58-27.8176.223.3-33.6000112.7I444 K445 E446P442-I444 PolarHBondContact O-N 3.17Å; P442-I444 VanDerWaalsContact O-N 3.07Å; P442-K445 PolarHBondContact O-N 3.09Å; P442-E446 WeakPolarHBondContact O-CB 3.37Å; P442-E446 VanDerWaalsContact O-CG 3.3Å; P442-E446 WeakPolarHBondContact O-CG 3.36Å; P442-E446 PolarHBondContact O-N 2.77Å; P442-E446 VanDerWaalsContact O-N 3.11Å
443E94.6Very high95.6Very high24 Ų2439.8 Ų39.811%0.11220%0.199CC..Hα-helixtrans-48-37.7177.1-69.979.8178.400112.6R396 Y437 A441 K445 E446 S447R396-E443 HydrophobicContact CG-CG 4.42Å; R396-E443 IonicContact CZ-OE1 2.65Å; R396-E443 VanDerWaalsContact NH1-CD 3.33Å; R396-E443 IonicContact NH1-OE1 2.73Å; R396-E443 PolarHBondContact NH1-OE1 3.25Å; R396-E443 IonicContact NH2-OE1 2.8Å; Y437-E443 HydrophobicContact CD1-CG 4.35Å; Y437-E443 HydrophobicContact CD2-CB 3.54Å; Y437-E443 HydrophobicContact CD2-CG 3.65Å; Y437-E443 HydrophobicContact CE1-CG 4.48Å; Y437-E443 HydrophobicContact CE2-CB 3.88Å; Y437-E443 HydrophobicContact CE2-CG 3.77Å; Y437-E443 HydrophobicContact CG-CB 4.16Å; Y437-E443 HydrophobicContact CG-CG 3.93Å; A441-E443 VanDerWaalsContact CB-OE2 3.28Å; A441-E443 WeakPolarHBondContact CB-OE2 3.22Å; A441-E443 PolarHBondContact O-N 3.07Å; E443-K445 PolarHBondContact O-N 3.5Å; E443-E446 PolarHBondContact O-N 2.94Å; E443-S447 VanDerWaalsContact O-CB 3.27Å; E443-S447 WeakPolarHBondContact O-CB 3.32Å; E443-S447 PolarHBondContact O-N 3.4Å; E443-S447 PolarHBondContact O-OG 3.29Å
444I93.2Very high95.4Very high15 Ų1543.3 Ų43.38%0.07721%0.212CC..Hα-helixtrans-61.3-33.2-179.2-60.1160.6000112N402 P429 L433 E434 G438 A441 P442N402-I444 PolarHBondContact ND2-O 3.39Å; P429-I444 HydrophobicContact CB-CG2 3.58Å; L433-I444 HydrophobicContact CB-CG1 3.95Å; E434-I444 HydrophobicContact CB-CD1 4.44Å; E434-I444 HydrophobicContact CG-CD1 3.49Å; E434-I444 VanDerWaalsContact CG-CD1 3.49Å; E434-I444 HydrophobicContact CG-CG1 4.21Å; G438-I444 WeakPolarHBondContact O-CD1 3.37Å; A441-I444 HydrophobicContact CB-CD1 4.26Å; A441-I444 HydrophobicContact CB-CG1 4.49Å; A441-I444 PolarHBondContact O-N 3.2Å; P442-I444 PolarHBondContact O-N 3.17Å; P442-I444 VanDerWaalsContact O-N 3.07Å
445K93.4Very high95.2Very high144 Ų14443.5 Ų43.563%0.62623%0.227SC*.Hα-helixtrans-105-0.8-178.3-63.3-171.6177.8-172.70113.5N402 P442 E443N402-K445 PolarHBondContact N-O 3.18Å; N402-K445 PolarHBondContact OD1-O 3.45Å; P442-K445 PolarHBondContact O-N 3.09Å; E443-K445 PolarHBondContact O-N 3.5Å
446E95.3Very high95.3Very high29 Ų2943.1 Ų43.114%0.13622%0.221CC..Hα-helixtrans-117.54.8-174.9-67.8-179.6172.600112.7R396 F397 G399 I400 P442 E443R396-E446 CarbonylContact C-O 3.5Å; R396-E446 VanDerWaalsContact CA-O 3.29Å; R396-E446 WeakPolarHBondContact CA-O 3.44Å; R396-E446 HydrophobicContact CG-CB 3.93Å; R396-E446 IonicContact CZ-OE2 3.83Å; R396-E446 IonicContact NE-OE2 2.98Å; R396-E446 PolarHBondContact NE-OE2 3.34Å; R396-E446 IonicContact NH2-OE2 3.8Å; R396-E446 PolarHBondContact NH2-OE2 2.98Å; F397-E446 PolarHBondContact N-O 3.18Å; G399-E446 VanDerWaalsContact CA-OE1 3.23Å; G399-E446 WeakPolarHBondContact CA-OE1 3.36Å; G399-E446 PolarHBondContact N-OE1 2.62Å; G399-E446 PolarHBondContact N-OE2 3.08Å; I400-E446 WeakPolarHBondContact O-CA 3.5Å; P442-E446 WeakPolarHBondContact O-CB 3.37Å; P442-E446 VanDerWaalsContact O-CG 3.3Å; P442-E446 WeakPolarHBondContact O-CG 3.36Å; P442-E446 PolarHBondContact O-N 2.77Å; P442-E446 VanDerWaalsContact O-N 3.11Å; E443-E446 PolarHBondContact O-N 2.94Å
447S96.5Very high95.2Very high0 Ų045.3 Ų45.30%024%0.235CC..EExtended strand (participates in β ladder)trans-110.2144.6-176.7-54.80000113.2N382 L395 N402 E443N382-S447 WeakPolarHBondContact ND2-CB 3.25Å; N382-S447 PolarHBondContact ND2-OG 3.11Å; L395-S447 CarbonylContact O-C 3.54Å; L395-S447 VanDerWaalsContact O-CA 3.27Å; L395-S447 WeakPolarHBondContact O-CA 3.44Å; N402-S447 VanDerWaalsContact CB-O 3.25Å; N402-S447 WeakPolarHBondContact CB-O 3.44Å; N402-S447 PolarHBondContact ND2-O 3.05Å; E443-S447 VanDerWaalsContact O-CB 3.27Å; E443-S447 WeakPolarHBondContact O-CB 3.32Å; E443-S447 PolarHBondContact O-N 3.4Å; E443-S447 PolarHBondContact O-OG 3.29Å
448V96Very high95.3Very high4 Ų446 Ų462%0.02424%0.24CC..EExtended strand (participates in β ladder)trans-130.2134176.1174.30000109N394 L395 N402 L405 L406 V416N394-V448 WeakPolarHBondContact CA-O 3.41Å; L395-V448 PolarHBondContact N-O 2.68Å; L395-V448 PolarHBondContact O-N 3.09Å; N402-V448 HydrophobicContact CB-CG2 3.95Å; L405-V448 HydrophobicContact CD2-CG2 3.91Å; L406-V448 HydrophobicContact CD2-CG1 4.02Å; L406-V448 HydrophobicContact CD2-CG2 4.34Å; V416-V448 HydrophobicContact CB-CG1 4.11Å; V416-V448 HydrophobicContact CG2-CG1 4.14Å
449R96.9Very high95.3Very high12 Ų1250.6 Ų50.65%0.04525%0.254CS..EExtended strand (participates in β ladder)trans-96.1119.4171.8-173.3-174.671.9-173.1-2.2110D103 A105 N247 V392 S417D103-R449 IonicContact OD1-CZ 3.7Å; D103-R449 IonicContact OD1-NE 3Å; D103-R449 IonicContact OD1-NH2 3.73Å; D103-R449 PolarHBondContact OD1-NH2 3.17Å; A105-R449 VanDerWaalsContact CB-CZ 3.49Å; N247-R449 WeakPolarHBondContact O-CD 3.1Å; N247-R449 PolarHBondContact O-NH1 2.66Å; V392-R449 HydrophobicContact CG1-CG 4.22Å; S417-R449 PolarHBondContact N-O 2.65Å; S417-R449 WeakPolarHBondContact O-CA 3.32Å; S417-R449 PolarHBondContact O-N 3.16Å; S417-R449 VanDerWaalsContact O-O 3.1Å; S417-R449 PolarHBondContact OG-NE 2.8Å; S417-R449 PolarHBondContact OG-NH2 3.04Å
450V97.7Very high95.5Very high2 Ų243.7 Ų43.71%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-100.7134.4166.5-1720000107.1L102 L393 V416 F452 F464L102-V450 HydrophobicContact CB-CG1 3.97Å; L102-V450 HydrophobicContact CD1-CG1 4.09Å; L102-V450 HydrophobicContact CG-CG1 4.45Å; L393-V450 HydrophobicContact CB-CB 4.43Å; L393-V450 PolarHBondContact N-O 3.39Å; L393-V450 PolarHBondContact O-N 3.3Å; L393-V450 VanDerWaalsContact O-O 3.07Å; V416-V450 HydrophobicContact CG1-CG1 4.46Å; V416-V450 HydrophobicContact CG1-CG2 4.15Å; V450-F452 HydrophobicContact CG1-CD1 4.39Å; V450-F452 HydrophobicContact CG1-CE1 3.66Å; V450-F452 HydrophobicContact CG1-CZ 3.88Å; V450-F464 HydrophobicContact CG1-CE1 3.95Å; V450-F464 HydrophobicContact CG1-CZ 4.3Å; V450-F464 HydrophobicContact CG2-CE1 3.92Å; V450-F464 HydrophobicContact CG2-CZ 3.61Å
451S97.9Very high95.8Very high0 Ų033.7 Ų33.70%018%0.181CC..EExtended strand (participates in β ladder)trans-141.1125.7176.450.30000112.2L102 D103 H104 A105 H391L102-S451 CarbonylContact C-O 3.6Å; L102-S451 WeakPolarHBondContact CA-O 3.13Å; L102-S451 PolarHBondContact O-N 3.27Å; L102-S451 VanDerWaalsContact O-O 3.08Å; L102-S451 PolarHBondContact O-OG 3.24Å; D103-S451 VanDerWaalsContact CA-OG 3.29Å; D103-S451 WeakPolarHBondContact CA-OG 3.2Å; H104-S451 PolarHBondContact CD2-O 2.69Å; H104-S451 PolarHBondContact N-O 2.83Å; H104-S451 PolarHBondContact N-OG 2.94Å; A105-S451 WeakPolarHBondContact CB-OG 3.47Å; A105-S451 PolarHBondContact N-OG 2.87Å; H391-S451 CarbonylContact O-C 3.56Å; H391-S451 WeakPolarHBondContact O-CA 3.33Å; H391-S451 WeakPolarHBondContact O-CB 3.44Å
452F98Very high95.9Very high1 Ų136.2 Ų36.20%0.00419%0.19CC..  trans-90.7156.8-173.8-49-63.7000111.2L102 H104 Y361 F364 V368 H391 L393 V450 N456 V461L102-F452 HydrophobicContact CD2-CD1 3.89Å; L102-F452 HydrophobicContact CD2-CE1 4.18Å; H104-F452 WeakPolarHBondContact CB-O 3.33Å; Y361-F452 HydrophobicContact CD1-CB 3.61Å; Y361-F452 HydrophobicContact CD1-CG 4.48Å; Y361-F452 HydrophobicContact CE1-CB 3.97Å; Y361-F452 HydrophobicContact CG-CB 4.06Å; F364-F452 HydrophobicContact CB-CD1 4.18Å; F364-F452 HydrophobicContact CB-CD2 4.06Å; F364-F452 HydrophobicContact CB-CE1 4.02Å; F364-F452 HydrophobicContact CB-CE2 3.9Å; F364-F452 HydrophobicContact CB-CG 4.21Å; F364-F452 HydrophobicContact CB-CZ 3.89Å; F364-F452 HydrophobicContact CD2-CB 3.99Å; F364-F452 AromaticContact CD2-CD1 3.86Å; F364-F452 HydrophobicContact CD2-CD1 3.86Å; F364-F452 HydrophobicContact CD2-CD2 4.38Å; F364-F452 HydrophobicContact CD2-CE1 4.47Å; F364-F452 AromaticContact CD2-CG 3.81Å; F364-F452 HydrophobicContact CD2-CG 3.81Å; F364-F452 HydrophobicContact CG-CD1 4.47Å; V368-F452 HydrophobicContact CG2-CZ 4.42Å; H391-F452 WeakPolarHBondContact CB-O 3.47Å; H391-F452 PolarHBondContact O-N 3.14Å; L393-F452 HydrophobicContact CB-CE2 4.47Å; V450-F452 HydrophobicContact CG1-CD1 4.39Å; V450-F452 HydrophobicContact CG1-CE1 3.66Å; V450-F452 HydrophobicContact CG1-CZ 3.88Å; F452-N456 WeakPolarHBondContact CA-OD1 3.48Å; F452-V461 HydrophobicContact CD1-CG2 4.21Å; F452-V461 HydrophobicContact CE1-CG1 4.45Å; F452-V461 HydrophobicContact CE1-CG2 4.03Å
453G96.6Very high96Very high7 Ų736.3 Ų36.37%0.07218%0.183CC..  trans-168.5-165.1175.800000113.9H104 Y361 G455 N456H104-G453 PolarHBondContact CD2-N 2.81Å; H104-G453 WeakPolarHBondContact ND1-CA 3.36Å; Y361-G453 VanDerWaalsContact OH-CA 3.24Å; Y361-G453 WeakPolarHBondContact OH-CA 3.34Å; G453-G455 PolarHBondContact O-N 3.35Å; G453-N456 PolarHBondContact N-OD1 3.35Å; G453-N456 PolarHBondContact O-N 2.93Å; G453-N456 PolarHBondContact O-OD1 2.73Å
454Y93.6Very high96.1Very high76 Ų7635.2 Ų35.230%0.29818%0.178SC..THydrogen-bonded Turntrans-57130.9179177.2-101.5000111.6H104 H111 P112 N300H104-Y454 PolarHBondContact CE1-O 2.62Å; H111-Y454 AromaticContact CD2-CD2 3.89Å; H111-Y454 AromaticContact CD2-CE2 3.26Å; H111-Y454 WeakPolarHBondContact CD2-CE2 3.32Å; H111-Y454 AromaticContact CD2-CZ 3.38Å; H111-Y454 AromaticContact NE2-CE2 3.53Å; H111-Y454 AromaticContact NE2-CZ 3.74Å; P112-Y454 WeakPolarHBondContact CD-OH 3.42Å; N300-Y454 WeakPolarHBondContact ND2-CB 3.25Å
455G91.6Very high96.4Very high50 Ų5034.6 Ų34.652%0.51518%0.175SC..THydrogen-bonded Turntrans94.4-14.4-179.300000114.1G453 Q460G453-G455 PolarHBondContact O-N 3.35Å; G455-Q460 PolarHBondContact O-OE1 3.21Å
456N96.8Very high96.5Very high14 Ų1433.1 Ų33.18%0.07517%0.17CC..  trans-72.7139.2172-62.7141.4000111.5Y101 H104 F364 F452 G453 Q460Y101-N456 PolarHBondContact O-ND2 3.02Å; H104-N456 PolarHBondContact CD2-OD1 3.1Å; H104-N456 PolarHBondContact NE2-OD1 3.3Å; F364-N456 HydrophobicContact CE2-CB 3.85Å; F364-N456 HydrophobicContact CZ-CB 4.47Å; F452-N456 WeakPolarHBondContact CA-OD1 3.48Å; G453-N456 PolarHBondContact N-OD1 3.35Å; G453-N456 PolarHBondContact O-N 2.93Å; G453-N456 PolarHBondContact O-OD1 2.73Å; N456-Q460 VanDerWaalsContact CA-OE1 3.3Å
457T96.5Very high96.5Very high56 Ų5633.9 Ų33.934%0.34417%0.174SC..  trans-117.8165.8174.680.80000111.2E459 Q460 V461T457-E459 VanDerWaalsContact C-N 3.3Å; T457-E459 WeakPolarHBondContact CB-OE2 3.45Å; T457-E459 PolarHBondContact O-N 3.48Å; T457-E459 PolarHBondContact OG1-N 3.35Å; T457-E459 PolarHBondContact OG1-OE2 2.71Å; T457-Q460 PolarHBondContact O-N 3.4Å; T457-Q460 PolarHBondContact OG1-N 2.62Å; T457-V461 PolarHBondContact O-N 3.34Å
458M97.5Very high96.5Very high51 Ų5134 Ų3425%0.25117%0.174SC..Hα-helixtrans-59.5-46175.8-175.658.372.400110.1Q363 F364 K367 Q460 V461 E462Q363-M458 HydrophobicContact CB-CE 3.8Å; F364-M458 HydrophobicContact CD1-CE 3.66Å; F364-M458 HydrophobicContact CD1-SD 3.98Å; F364-M458 HydrophobicContact CE1-CB 4.09Å; F364-M458 HydrophobicContact CE1-CE 3.92Å; F364-M458 HydrophobicContact CE1-SD 4.25Å; K367-M458 HydrophobicContact CB-SD 4.01Å; K367-M458 HydrophobicContact CG-SD 4.04Å; M458-Q460 VanDerWaalsContact C-N 3.28Å; M458-Q460 PolarHBondContact O-N 3.25Å; M458-V461 CarbonylContact O-C 3.37Å; M458-V461 WeakPolarHBondContact O-CA 3.47Å; M458-V461 WeakPolarHBondContact O-CB 3.49Å; M458-V461 PolarHBondContact O-N 3.27Å; M458-E462 HydrophobicContact CG-CG 4.08Å; M458-E462 VanDerWaalsContact O-CG 3.29Å; M458-E462 WeakPolarHBondContact O-CG 3.36Å; M458-E462 PolarHBondContact O-N 2.77Å; M458-E462 HydrophobicContact SD-CG 4.31Å
459E96.6Very high96.6Very high126 Ų12634.6 Ų34.659%0.58918%0.178SC*.Hα-helixtrans-56.5-40.2-179.5-58.377.7-170.700112.3T457 E462 Y463T457-E459 VanDerWaalsContact C-N 3.3Å; T457-E459 WeakPolarHBondContact CB-OE2 3.45Å; T457-E459 PolarHBondContact O-N 3.48Å; T457-E459 PolarHBondContact OG1-N 3.35Å; T457-E459 PolarHBondContact OG1-OE2 2.71Å; E459-E462 PolarHBondContact O-N 2.79Å; E459-Y463 WeakPolarHBondContact O-CB 3.3Å; E459-Y463 PolarHBondContact O-N 3.27Å
460Q96.3Very high96.5Very high20 Ų2036.6 Ų36.69%0.09319%0.192CC..Hα-helixtrans-65.4-39.5174.8-70.1-179.9-12.900111.9E98 I100 G455 N456 T457 M458 Y463 F464E98-Q460 PolarHBondContact OE1-NE2 2.75Å; I100-Q460 HydrophobicContact CD1-CB 4.01Å; I100-Q460 HydrophobicContact CD1-CG 4.27Å; I100-Q460 HydrophobicContact CG1-CB 4.15Å; I100-Q460 HydrophobicContact CG1-CG 4.08Å; I100-Q460 HydrophobicContact CG2-CB 3.97Å; I100-Q460 HydrophobicContact CG2-CG 4.49Å; G455-Q460 PolarHBondContact O-OE1 3.21Å; N456-Q460 VanDerWaalsContact CA-OE1 3.3Å; T457-Q460 PolarHBondContact O-N 3.4Å; T457-Q460 PolarHBondContact OG1-N 2.62Å; M458-Q460 VanDerWaalsContact C-N 3.28Å; M458-Q460 PolarHBondContact O-N 3.25Å; Q460-Y463 PolarHBondContact O-N 2.82Å; Q460-F464 WeakPolarHBondContact O-CB 3.41Å; Q460-F464 PolarHBondContact O-N 2.94Å
461V98Very high96.4Very high0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-70.8-37177.3175.50000111.6F364 K367 V368 F452 T457 M458 F464 A465F364-V461 HydrophobicContact CB-CG1 4.04Å; F364-V461 HydrophobicContact CB-CG2 4.07Å; F364-V461 HydrophobicContact CD1-CB 4.26Å; F364-V461 HydrophobicContact CD1-CG2 3.93Å; F364-V461 HydrophobicContact CD2-CG2 3.79Å; F364-V461 HydrophobicContact CE1-CG2 4.28Å; F364-V461 HydrophobicContact CE2-CG2 4.15Å; F364-V461 HydrophobicContact CG-CB 4.35Å; F364-V461 HydrophobicContact CG-CG1 4.38Å; F364-V461 HydrophobicContact CG-CG2 3.68Å; F364-V461 HydrophobicContact CZ-CG2 4.37Å; K367-V461 HydrophobicContact CB-CG1 4.42Å; K367-V461 HydrophobicContact CG-CG1 4.42Å; V368-V461 HydrophobicContact CG2-CG1 3.7Å; F452-V461 HydrophobicContact CD1-CG2 4.21Å; F452-V461 HydrophobicContact CE1-CG1 4.45Å; F452-V461 HydrophobicContact CE1-CG2 4.03Å; T457-V461 PolarHBondContact O-N 3.34Å; M458-V461 CarbonylContact O-C 3.37Å; M458-V461 WeakPolarHBondContact O-CA 3.47Å; M458-V461 WeakPolarHBondContact O-CB 3.49Å; M458-V461 PolarHBondContact O-N 3.27Å; V461-F464 PolarHBondContact O-N 3.09Å; V461-A465 WeakPolarHBondContact O-CB 3.21Å; V461-A465 PolarHBondContact O-N 3.32Å
462E97.1Very high96.3Very high66 Ų6636.6 Ų36.631%0.30819%0.192SC..Hα-helixtrans-61.7-48.5172-58.6-164.5130.500110.6K367 M458 E459 F464 A465 E466K367-E462 HydrophobicContact CD-CG 3.99Å; K367-E462 WeakPolarHBondContact CE-OE1 3.42Å; K367-E462 HydrophobicContact CG-CG 4.04Å; K367-E462 IonicContact NZ-OE1 3.18Å; K367-E462 PolarHBondContact NZ-OE1 2.98Å; M458-E462 HydrophobicContact CG-CG 4.08Å; M458-E462 VanDerWaalsContact O-CG 3.29Å; M458-E462 WeakPolarHBondContact O-CG 3.36Å; M458-E462 PolarHBondContact O-N 2.77Å; M458-E462 HydrophobicContact SD-CG 4.31Å; E459-E462 PolarHBondContact O-N 2.79Å; E462-F464 VanDerWaalsContact C-N 3.33Å; E462-F464 PolarHBondContact O-N 3.16Å; E462-A465 PolarHBondContact O-N 3.3Å; E462-E466 WeakPolarHBondContact O-CB 3.33Å; E462-E466 WeakPolarHBondContact O-CG 3.46Å; E462-E466 PolarHBondContact O-N 2.86Å
463Y96Very high96.2Very high66 Ų6640.4 Ų40.426%0.25921%0.21SC..Hα-helixtrans-58.7-45.1175.9-178.6-95.2000111.8V97 I100 I414 E459 Q460 A465 E466 Q467V97-Y463 HydrophobicContact CG1-CE1 3.81Å; V97-Y463 WeakPolarHBondContact CG1-OH 3.38Å; I100-Y463 HydrophobicContact CD1-CD1 3.45Å; I100-Y463 VanDerWaalsContact CD1-CD1 3.45Å; I100-Y463 HydrophobicContact CD1-CE1 4.2Å; I100-Y463 HydrophobicContact CD1-CG 4.22Å; I414-Y463 HydrophobicContact CD1-CD1 4.21Å; I414-Y463 HydrophobicContact CD1-CE1 4.04Å; I414-Y463 HydrophobicContact CG1-CE1 4.41Å; E459-Y463 WeakPolarHBondContact O-CB 3.3Å; E459-Y463 PolarHBondContact O-N 3.27Å; Q460-Y463 PolarHBondContact O-N 2.82Å; Y463-A465 PolarHBondContact O-N 3.26Å; Y463-E466 PolarHBondContact O-N 2.84Å; Y463-Q467 HydrophobicContact CD1-CG 4.01Å; Y463-Q467 HydrophobicContact CD2-CG 4.43Å; Y463-Q467 HydrophobicContact CE1-CG 3.56Å; Y463-Q467 HydrophobicContact CE2-CG 4Å; Y463-Q467 HydrophobicContact CG-CG 4.45Å; Y463-Q467 WeakPolarHBondContact O-CG 3.47Å; Y463-Q467 PolarHBondContact O-N 2.81Å
464F97.6Very high96Very high1 Ų144 Ų440%0.00423%0.225CC..Hα-helixtrans-56.2-50.8174.9161.8-118.2000111.7L102 V368 L409 I414 V416 V450 Q460 V461 E462 E466 Q467 L468L102-F464 HydrophobicContact CD1-CB 3.83Å; L102-F464 HydrophobicContact CD1-CD1 3.71Å; L102-F464 HydrophobicContact CD1-CD2 3.85Å; L102-F464 HydrophobicContact CD1-CE1 4.22Å; L102-F464 HydrophobicContact CD1-CE2 4.33Å; L102-F464 HydrophobicContact CD1-CG 3.49Å; L102-F464 VanDerWaalsContact CD1-CG 3.49Å; L102-F464 HydrophobicContact CD1-CZ 4.49Å; V368-F464 HydrophobicContact CG1-CE1 4.2Å; V368-F464 HydrophobicContact CG2-CD1 3.94Å; V368-F464 HydrophobicContact CG2-CE1 3.9Å; L409-F464 HydrophobicContact CD1-CE2 4.22Å; L409-F464 HydrophobicContact CD2-CE2 4.32Å; I414-F464 HydrophobicContact CD1-CD2 4.28Å; I414-F464 HydrophobicContact CG2-CD2 3.75Å; I414-F464 HydrophobicContact CG2-CE2 4.3Å; V416-F464 HydrophobicContact CG1-CE2 4.36Å; V450-F464 HydrophobicContact CG1-CE1 3.95Å; V450-F464 HydrophobicContact CG1-CZ 4.3Å; V450-F464 HydrophobicContact CG2-CE1 3.92Å; V450-F464 HydrophobicContact CG2-CZ 3.61Å; Q460-F464 WeakPolarHBondContact O-CB 3.41Å; Q460-F464 PolarHBondContact O-N 2.94Å; V461-F464 PolarHBondContact O-N 3.09Å; E462-F464 VanDerWaalsContact C-N 3.33Å; E462-F464 PolarHBondContact O-N 3.16Å; F464-E466 VanDerWaalsContact C-N 3.32Å; F464-E466 PolarHBondContact O-N 2.89Å; F464-Q467 PolarHBondContact O-N 3.35Å; F464-L468 HydrophobicContact CE1-CD2 4.28Å; F464-L468 HydrophobicContact CE2-CB 4.26Å; F464-L468 HydrophobicContact CE2-CD1 4.48Å; F464-L468 HydrophobicContact CE2-CD2 4.24Å; F464-L468 HydrophobicContact CZ-CD2 3.79Å; F464-L468 VanDerWaalsContact O-CB 3.29Å; F464-L468 WeakPolarHBondContact O-CB 3.37Å; F464-L468 PolarHBondContact O-N 3.06Å
465A97.7Very high96Very high1 Ų141.8 Ų41.81%0.00822%0.218CC..Hα-helixtrans-62.7-39.8-179.200000111.8T371 V461 E462 Y463 Q467 L468 V469T371-A465 HydrophobicContact CG2-CB 3.77Å; V461-A465 WeakPolarHBondContact O-CB 3.21Å; V461-A465 PolarHBondContact O-N 3.32Å; E462-A465 PolarHBondContact O-N 3.3Å; Y463-A465 PolarHBondContact O-N 3.26Å; A465-Q467 PolarHBondContact O-N 2.83Å; A465-L468 PolarHBondContact O-N 2.78Å; A465-V469 PolarHBondContact O-N 2.92Å
466E95.4Very high95.8Very high113 Ų11343.2 Ų43.253%0.52822%0.217SC..Hα-helixtrans-66.7-30.9175.6-74.4179.1-178.300113.6E462 Y463 F464 P470E462-E466 WeakPolarHBondContact O-CB 3.33Å; E462-E466 WeakPolarHBondContact O-CG 3.46Å; E462-E466 PolarHBondContact O-N 2.86Å; Y463-E466 PolarHBondContact O-N 2.84Å; F464-E466 VanDerWaalsContact C-N 3.32Å; F464-E466 PolarHBondContact O-N 2.89Å; E466-P470 WeakPolarHBondContact O-CD 3.41Å; E466-P470 VanDerWaalsContact O-CG 3.29Å; E466-P470 WeakPolarHBondContact O-CG 3.36Å
467Q95.6Very high94.9Very high46 Ų4650.5 Ų50.522%0.21525%0.248CC..Hα-helixtrans-83-29.1173.8-66-42.9-62.900112.6I414 Y463 F464 A465 P470 S471I414-Q467 HydrophobicContact CD1-CB 3.85Å; I414-Q467 HydrophobicContact CD1-CG 4.12Å; Y463-Q467 HydrophobicContact CD1-CG 4.01Å; Y463-Q467 HydrophobicContact CD2-CG 4.43Å; Y463-Q467 HydrophobicContact CE1-CG 3.56Å; Y463-Q467 HydrophobicContact CE2-CG 4Å; Y463-Q467 HydrophobicContact CG-CG 4.45Å; Y463-Q467 WeakPolarHBondContact O-CG 3.47Å; Y463-Q467 PolarHBondContact O-N 2.81Å; F464-Q467 PolarHBondContact O-N 3.35Å; A465-Q467 PolarHBondContact O-N 2.83Å; Q467-P470 WeakPolarHBondContact O-CD 3.47Å; Q467-P470 WeakPolarHBondContact O-CG 3.43Å; Q467-S471 VanDerWaalsContact O-CB 3.22Å; Q467-S471 WeakPolarHBondContact O-CB 3.35Å; Q467-S471 PolarHBondContact O-N 3Å; Q467-S471 PolarHBondContact O-OG 2.96Å
468L97.5Very high93.2Very high3 Ų355.1 Ų55.12%0.01626%0.263CS..Hα-helixtrans-64-45.9179179.860.2000111.5L372 F397 L405 L409 F464 A465 S471 L472L372-L468 HydrophobicContact CD2-CD2 3.99Å; L372-L468 HydrophobicContact CD2-CG 4.32Å; F397-L468 HydrophobicContact CE2-CD1 4.46Å; F397-L468 HydrophobicContact CZ-CD1 4.41Å; F397-L468 HydrophobicContact CZ-CD2 3.99Å; L405-L468 HydrophobicContact CD1-CD1 4.13Å; L405-L468 HydrophobicContact CD2-CD1 4.24Å; L409-L468 HydrophobicContact CD1-CD1 4.32Å; F464-L468 HydrophobicContact CE1-CD2 4.28Å; F464-L468 HydrophobicContact CE2-CB 4.26Å; F464-L468 HydrophobicContact CE2-CD1 4.48Å; F464-L468 HydrophobicContact CE2-CD2 4.24Å; F464-L468 HydrophobicContact CZ-CD2 3.79Å; F464-L468 VanDerWaalsContact O-CB 3.29Å; F464-L468 WeakPolarHBondContact O-CB 3.37Å; F464-L468 PolarHBondContact O-N 3.06Å; A465-L468 PolarHBondContact O-N 2.78Å; L468-S471 WeakPolarHBondContact O-CA 3.44Å; L468-S471 VanDerWaalsContact O-CB 3.31Å; L468-S471 WeakPolarHBondContact O-CB 3.35Å; L468-S471 PolarHBondContact O-N 2.76Å; L468-S471 VanDerWaalsContact O-N 3.16Å; L468-L472 HydrophobicContact CD1-CD1 3.9Å; L468-L472 HydrophobicContact CD1-CD2 4.42Å; L468-L472 HydrophobicContact CD1-CG 4Å; L468-L472 HydrophobicContact CG-CD1 3.79Å; L468-L472 HydrophobicContact CG-CG 4.32Å; L468-L472 VanDerWaalsContact O-CG 3.28Å; L468-L472 WeakPolarHBondContact O-CG 3.43Å; L468-L472 PolarHBondContact O-N 3.16Å
469V97.4Very high91Very high16 Ų1663.4 Ų63.410%0.09729%0.292CS..Hα-helixtrans-55.1-59.2179.4170.20000113.5T371 L372 A375 I377 A465 S471 L472 Q473T371-V469 HydrophobicContact CG2-CG2 4.11Å; L372-V469 HydrophobicContact CD2-CG2 4.29Å; A375-V469 HydrophobicContact CB-CB 4.29Å; A375-V469 HydrophobicContact CB-CG1 3.53Å; A375-V469 HydrophobicContact CB-CG2 3.7Å; I377-V469 HydrophobicContact CD1-CG1 4.37Å; I377-V469 HydrophobicContact CG1-CG1 4.4Å; I377-V469 HydrophobicContact CG1-CG2 4.28Å; A465-V469 PolarHBondContact O-N 2.92Å; V469-S471 PolarHBondContact O-N 3.35Å; V469-L472 PolarHBondContact O-N 3Å; V469-Q473 HydrophobicContact CG1-CG 4.45Å; V469-Q473 WeakPolarHBondContact O-CG 3.27Å; V469-Q473 PolarHBondContact O-N 3.47Å
470P95.2Very high90.7Very high53 Ų5360.3 Ų60.334%0.34428%0.277SS..Hα-helixtrans-65-26.4177.726.6-34.4000111.9K408 E466 Q467 E474K408-P470 PolarHBondContact NZ-O 3.45Å; E466-P470 WeakPolarHBondContact O-CD 3.41Å; E466-P470 VanDerWaalsContact O-CG 3.29Å; E466-P470 WeakPolarHBondContact O-CG 3.36Å; Q467-P470 WeakPolarHBondContact O-CD 3.47Å; Q467-P470 WeakPolarHBondContact O-CG 3.43Å; P470-E474 WeakPolarHBondContact O-CB 3.44Å; P470-E474 PolarHBondContact O-N 3.21Å; P470-E474 VanDerWaalsContact O-N 3.09Å
471S95.7Very high90.4Very high0 Ų062.4 Ų62.40%029%0.287CS..Hα-helixtrans-60.5-50.9171.4-75.20000112.5K408 Q412 Q467 L468 V469 L475K408-S471 WeakPolarHBondContact CD-OG 3.28Å; K408-S471 WeakPolarHBondContact CE-OG 3.41Å; K408-S471 VanDerWaalsContact NZ-CA 3.35Å; Q412-S471 PolarHBondContact NE2-OG 3.25Å; Q412-S471 PolarHBondContact OE1-OG 3.35Å; Q467-S471 VanDerWaalsContact O-CB 3.22Å; Q467-S471 WeakPolarHBondContact O-CB 3.35Å; Q467-S471 PolarHBondContact O-N 3Å; Q467-S471 PolarHBondContact O-OG 2.96Å; L468-S471 WeakPolarHBondContact O-CA 3.44Å; L468-S471 VanDerWaalsContact O-CB 3.31Å; L468-S471 WeakPolarHBondContact O-CB 3.35Å; L468-S471 PolarHBondContact O-N 2.76Å; L468-S471 VanDerWaalsContact O-N 3.16Å; V469-S471 PolarHBondContact O-N 3.35Å; S471-L475 WeakPolarHBondContact O-CG 3.29Å; S471-L475 PolarHBondContact O-N 3.48Å
472L96.7Very high90Very high3 Ų365.9 Ų65.92%0.01630%0.302CS..Hα-helixtrans-65.8-44.5177.2-65.4169.6000112.2L372 I377 F397 I400 L405 L468 V469 E474 L475 T476L372-L472 HydrophobicContact CD2-CD1 4.05Å; I377-L472 HydrophobicContact CD1-CB 4.5Å; I377-L472 HydrophobicContact CG2-CD1 3.71Å; F397-L472 HydrophobicContact CB-CD2 3.88Å; F397-L472 HydrophobicContact CD1-CD1 3.54Å; F397-L472 HydrophobicContact CD1-CD2 3.86Å; F397-L472 HydrophobicContact CD1-CG 4.37Å; F397-L472 HydrophobicContact CD2-CD2 3.83Å; F397-L472 HydrophobicContact CE1-CD1 3.41Å; F397-L472 VanDerWaalsContact CE1-CD1 3.41Å; F397-L472 HydrophobicContact CE1-CD2 4.36Å; F397-L472 HydrophobicContact CE2-CD1 4.43Å; F397-L472 HydrophobicContact CE2-CD2 4.34Å; F397-L472 HydrophobicContact CG-CD1 4.12Å; F397-L472 HydrophobicContact CG-CD2 3.56Å; F397-L472 HydrophobicContact CZ-CD1 3.9Å; I400-L472 HydrophobicContact CB-CD2 4.45Å; I400-L472 HydrophobicContact CG1-CD2 4.07Å; I400-L472 HydrophobicContact CG2-CD2 4.09Å; L405-L472 HydrophobicContact CD1-CD2 4.07Å; L405-L472 HydrophobicContact CD2-CD2 3.7Å; L468-L472 HydrophobicContact CD1-CD1 3.9Å; L468-L472 HydrophobicContact CD1-CD2 4.42Å; L468-L472 HydrophobicContact CD1-CG 4Å; L468-L472 HydrophobicContact CG-CD1 3.79Å; L468-L472 HydrophobicContact CG-CG 4.32Å; L468-L472 VanDerWaalsContact O-CG 3.28Å; L468-L472 WeakPolarHBondContact O-CG 3.43Å; L468-L472 PolarHBondContact O-N 3.16Å; V469-L472 PolarHBondContact O-N 3Å; L472-E474 VanDerWaalsContact C-N 3.35Å; L472-E474 PolarHBondContact O-N 3.42Å; L472-L475 PolarHBondContact O-N 3.16Å; L472-T476 WeakPolarHBondContact O-CB 3.22Å; L472-T476 PolarHBondContact O-N 2.86Å; L472-T476 PolarHBondContact O-OG1 2.92Å
473Q94.5Very high89.5Confident81 Ų8165.9 Ų65.938%0.37930%0.302SS..Hα-helixtrans-62.1-39.4-179.8-71.3175.3-9.200112.6I377 V469 T476 K477I377-Q473 HydrophobicContact CD1-CG 3.92Å; V469-Q473 HydrophobicContact CG1-CG 4.45Å; V469-Q473 WeakPolarHBondContact O-CG 3.27Å; V469-Q473 PolarHBondContact O-N 3.47Å; Q473-T476 PolarHBondContact O-N 3.34Å; Q473-K477 WeakPolarHBondContact O-CG 3.48Å; Q473-K477 PolarHBondContact O-N 2.9Å; Q473-K477 VanDerWaalsContact O-N 3.17Å
474E92.9Very high89.1Confident82 Ų8265.9 Ų65.938%0.38331%0.305SS..Hα-helixtrans-69-41.9177.1-166.7-168.5142.800112.1K408 P470 L472 T476 K477 K478K408-E474 IonicContact NZ-OE2 3.45Å; K408-E474 PolarHBondContact NZ-OE2 3.49Å; P470-E474 WeakPolarHBondContact O-CB 3.44Å; P470-E474 PolarHBondContact O-N 3.21Å; P470-E474 VanDerWaalsContact O-N 3.09Å; L472-E474 VanDerWaalsContact C-N 3.35Å; L472-E474 PolarHBondContact O-N 3.42Å; E474-T476 PolarHBondContact O-N 3.39Å; E474-K477 PolarHBondContact O-N 3.04Å; E474-K478 PolarHBondContact O-N 2.96Å; E474-K478 WeakPolarHBondContact OE1-CE 3.49Å; E474-K478 IonicContact OE1-NZ 3.7Å; E474-K478 PolarHBondContact OE1-NZ 3.32Å
475L92.5Very high88.6Confident30 Ų3070.2 Ų70.216%0.15733%0.325CS..Hα-helixtrans-66.5-29.5178.3-69.9173.3000111.8I400 L404 L405 S471 L472I400-L475 HydrophobicContact CD1-CB 3.93Å; I400-L475 HydrophobicContact CG2-CB 4.38Å; I400-L475 HydrophobicContact CG2-CD1 3.87Å; L404-L475 HydrophobicContact CB-CD2 4.17Å; L405-L475 HydrophobicContact CB-CD1 4.08Å; L405-L475 HydrophobicContact CD1-CD1 4.05Å; S471-L475 WeakPolarHBondContact O-CG 3.29Å; S471-L475 PolarHBondContact O-N 3.48Å; L472-L475 PolarHBondContact O-N 3.16Å
476T89Confident87.9Confident79 Ų7975.1 Ų75.149%0.48535%0.347SS..Hα-helixtrans-69.5-42.8173.1-52.10000111.9L472 Q473 E474 K478 R479L472-T476 WeakPolarHBondContact O-CB 3.22Å; L472-T476 PolarHBondContact O-N 2.86Å; L472-T476 PolarHBondContact O-OG1 2.92Å; Q473-T476 PolarHBondContact O-N 3.34Å; E474-T476 PolarHBondContact O-N 3.39Å; T476-K478 VanDerWaalsContact C-N 3.29Å; T476-K478 PolarHBondContact O-N 3.16Å; T476-R479 PolarHBondContact O-N 3.14Å
477K76.9Confident87.4Confident168 Ų16872.2 Ų72.273%0.7333%0.334SS*.Hα-helixtrans-69.7-18.1-177.9-74.8174.3-175.71750115Q473 E474 R479Q473-K477 WeakPolarHBondContact O-CG 3.48Å; Q473-K477 PolarHBondContact O-N 2.9Å; Q473-K477 VanDerWaalsContact O-N 3.17Å; E474-K477 PolarHBondContact O-N 3.04Å; K477-R479 PolarHBondContact O-N 3.48Å
478K61.5Low86.7Confident153 Ų15374.4 Ų74.467%0.66534%0.343SS*.THydrogen-bonded Turntrans-83.34.1178.9-77.9175.4169.8165.50113.4E474 T476E474-K478 PolarHBondContact O-N 2.96Å; E474-K478 WeakPolarHBondContact OE1-CE 3.49Å; E474-K478 IonicContact OE1-NZ 3.7Å; E474-K478 PolarHBondContact OE1-NZ 3.32Å; T476-K478 VanDerWaalsContact C-N 3.29Å; T476-K478 PolarHBondContact O-N 3.16Å
479R50.2Low85.7Confident225 Ų22580.9 Ų80.985%0.84937%0.373SS*.  trans-88.30165.6-69.4177.9162.8-152.8-12.1109.9G399 T476 K477G399-R479 VanDerWaalsContact C-NH2 3.29Å; G399-R479 PolarHBondContact O-NE 3.47Å; G399-R479 PolarHBondContact O-NH2 3.44Å; T476-R479 PolarHBondContact O-N 3.14Å; K477-R479 PolarHBondContact O-N 3.48Å

Retrieved 479 of 479 residues in 2405.1 ms (Link to these results)

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