A0A077ZFT8_TRITR Loading...

Integrase catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZFT8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 415 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
1M56.7Low75.9Confident166 Ų166115 Ų11582%0.81857%0.569SS**  0128.70-110.9-175.2178.400108.4N5 R6 V9M1-N5 HydrophobicContact CG-CB 4.3Å; M1-R6 HydrophobicContact CB-CG 4.36Å; M1-R6 HydrophobicContact SD-CG 4.49Å; M1-V9 HydrophobicContact CE-CG2 3.81Å; M1-V9 HydrophobicContact SD-CG2 4.31Å
2A73.3Confident76.5Confident51 Ų51113.3 Ų113.342%0.42156%0.562SS.*  trans-58.5147171.700000110.7E4 N5 R6A2-E4 PolarHBondContact O-N 3.27Å; A2-N5 PolarHBondContact O-N 3.25Å; A2-R6 PolarHBondContact O-N 3.43Å
3P73Confident76.9Confident104 Ų104112.5 Ų112.568%0.67555%0.553SS**Hα-helixtrans-56-34.5-178.519.2-30.4000113N5 R6 M7P3-N5 VanDerWaalsContact C-N 3.34Å; P3-N5 PolarHBondContact O-N 2.95Å; P3-R6 WeakPolarHBondContact O-CB 3.25Å; P3-R6 PolarHBondContact O-N 3.2Å; P3-M7 PolarHBondContact O-N 3.17Å
4E74.3Confident77Confident139 Ų139111.3 Ų111.365%0.6555%0.55SS**Hα-helixtrans-61.9-39.3175.1-60.1179.5-169.100113.1A2 R6 M7 K8A2-E4 PolarHBondContact O-N 3.27Å; E4-R6 VanDerWaalsContact C-N 3.35Å; E4-M7 PolarHBondContact O-N 3.38Å; E4-K8 PolarHBondContact O-N 3.4Å
5N72.9Confident77.2Confident70 Ų70111.5 Ų111.537%0.37455%0.553SS.*Hα-helixtrans-70.8-32.7178.8-70.9-17.4000111.3M1 A2 P3 K8 V9M1-N5 HydrophobicContact CG-CB 4.3Å; A2-N5 PolarHBondContact O-N 3.25Å; P3-N5 VanDerWaalsContact C-N 3.34Å; P3-N5 PolarHBondContact O-N 2.95Å; N5-K8 PolarHBondContact O-N 3.35Å; N5-V9 VanDerWaalsContact O-CG2 3.25Å; N5-V9 WeakPolarHBondContact O-CG2 3.5Å; N5-V9 PolarHBondContact O-N 2.99Å
6R72.7Confident77.5Confident169 Ų169110.4 Ų110.464%0.63855%0.549SS*.Hα-helixtrans-62.3-45.7172.7-81.9-177.6169.8163.5-3.1111.7M1 A2 P3 E4 K8 V9 E10M1-R6 HydrophobicContact CB-CG 4.36Å; M1-R6 HydrophobicContact SD-CG 4.49Å; A2-R6 PolarHBondContact O-N 3.43Å; P3-R6 WeakPolarHBondContact O-CB 3.25Å; P3-R6 PolarHBondContact O-N 3.2Å; E4-R6 VanDerWaalsContact C-N 3.35Å; R6-K8 VanDerWaalsContact C-N 3.3Å; R6-K8 PolarHBondContact O-N 3.24Å; R6-V9 PolarHBondContact O-N 3.29Å; R6-E10 PolarHBondContact O-N 3.49Å
7M75.7Confident77.5Confident140 Ų140110.4 Ų110.469%0.6955%0.551SS**Hα-helixtrans-61.4-38.1176.5-76-17783.200112.5P3 E4 K11P3-M7 PolarHBondContact O-N 3.17Å; E4-M7 PolarHBondContact O-N 3.38Å; M7-K11 WeakPolarHBondContact O-CB 3.27Å; M7-K11 PolarHBondContact O-N 3.41Å
8K82.9Confident77.2Confident125 Ų125108.2 Ų108.254%0.54355%0.552SS.*Hα-helixtrans-64.4-45.9174.8-72.6176.1-1791710111.8E4 N5 R6 K11 I12E4-K8 PolarHBondContact O-N 3.4Å; N5-K8 PolarHBondContact O-N 3.35Å; R6-K8 VanDerWaalsContact C-N 3.3Å; R6-K8 PolarHBondContact O-N 3.24Å; K8-K11 PolarHBondContact O-N 3.46Å; K8-I12 VanDerWaalsContact O-CG1 3.28Å; K8-I12 WeakPolarHBondContact O-CG1 3.28Å; K8-I12 PolarHBondContact O-N 2.87Å
9V85.6Confident77.1Confident66 Ų66106.4 Ų106.440%0.456%0.555SS.*Hα-helixtrans-61.8-44.8177.5172.10000111.2M1 N5 R6 K11 I12 K13M1-V9 HydrophobicContact CE-CG2 3.81Å; M1-V9 HydrophobicContact SD-CG2 4.31Å; N5-V9 VanDerWaalsContact O-CG2 3.25Å; N5-V9 WeakPolarHBondContact O-CG2 3.5Å; N5-V9 PolarHBondContact O-N 2.99Å; R6-V9 PolarHBondContact O-N 3.29Å; V9-K11 VanDerWaalsContact C-N 3.35Å; V9-K11 PolarHBondContact O-N 3.33Å; V9-I12 PolarHBondContact O-N 2.93Å; V9-K13 VanDerWaalsContact O-CB 3.27Å; V9-K13 WeakPolarHBondContact O-CB 3.29Å; V9-K13 PolarHBondContact O-N 3.47Å
10E83.8Confident77Confident89 Ų89110.1 Ų110.142%0.41657%0.567SS.*Hα-helixtrans-64.7-39.2178.5-136.368.7-138.700111.5R6 K13 N14R6-E10 PolarHBondContact O-N 3.49Å; E10-K13 PolarHBondContact O-N 3.29Å; E10-K13 IonicContact OE1-NZ 2.9Å; E10-K13 PolarHBondContact OE1-NZ 2.92Å; E10-N14 WeakPolarHBondContact O-CB 3.46Å; E10-N14 PolarHBondContact O-N 2.89Å; E10-N14 PolarHBondContact O-ND2 3.22Å
11K84.3Confident77Confident146 Ų146106.2 Ų106.264%0.63555%0.551SS**Hα-helixtrans-60.6-49.4172.1-90.1-173.6175-178.20112.1M7 K8 V9 K13 N14 I15M7-K11 WeakPolarHBondContact O-CB 3.27Å; M7-K11 PolarHBondContact O-N 3.41Å; K8-K11 PolarHBondContact O-N 3.46Å; V9-K11 VanDerWaalsContact C-N 3.35Å; V9-K11 PolarHBondContact O-N 3.33Å; K11-K13 VanDerWaalsContact C-N 3.33Å; K11-K13 PolarHBondContact O-N 2.96Å; K11-N14 PolarHBondContact O-N 3.01Å; K11-I15 VanDerWaalsContact O-CG1 3.29Å; K11-I15 WeakPolarHBondContact O-CG1 3.26Å; K11-I15 PolarHBondContact O-N 3.44Å
12I82.9Confident78Confident95 Ų9599.5 Ų99.549%0.48752%0.523SS..Hα-helixtrans-61.1-45.6179.9-68.8165.8000110.3K8 V9 N14 I15 L16K8-I12 VanDerWaalsContact O-CG1 3.28Å; K8-I12 WeakPolarHBondContact O-CG1 3.28Å; K8-I12 PolarHBondContact O-N 2.87Å; V9-I12 PolarHBondContact O-N 2.93Å; I12-N14 VanDerWaalsContact C-N 3.32Å; I12-N14 PolarHBondContact O-N 2.91Å; I12-I15 PolarHBondContact O-N 3.24Å; I12-L16 HydrophobicContact CG2-CD1 3.86Å; I12-L16 HydrophobicContact CG2-CG 4.29Å; I12-L16 WeakPolarHBondContact O-CG 3.37Å; I12-L16 PolarHBondContact O-N 3.25Å
13K81.1Confident78.7Confident103 Ų103100.7 Ų100.745%0.44852%0.522SS..Hα-helixtrans-57.1-44.9176.2178.1-178.6164.4-162.50111.6V9 E10 K11 L16 L17V9-K13 VanDerWaalsContact O-CB 3.27Å; V9-K13 WeakPolarHBondContact O-CB 3.29Å; V9-K13 PolarHBondContact O-N 3.47Å; E10-K13 PolarHBondContact O-N 3.29Å; E10-K13 IonicContact OE1-NZ 2.9Å; E10-K13 PolarHBondContact OE1-NZ 2.92Å; K11-K13 VanDerWaalsContact C-N 3.33Å; K11-K13 PolarHBondContact O-N 2.96Å; K13-L16 PolarHBondContact O-N 3.25Å; K13-L17 HydrophobicContact CG-CD1 4.05Å; K13-L17 WeakPolarHBondContact O-CB 3.44Å; K13-L17 VanDerWaalsContact O-CG 3.26Å; K13-L17 WeakPolarHBondContact O-CG 3.36Å; K13-L17 PolarHBondContact O-N 3.38Å
14N79.4Confident79.4Confident95 Ų9599.1 Ų99.151%0.50851%0.511SS..Hα-helixtrans-65.9-39.9177.6-69.5-17.6000112.4E10 K11 I12 A18E10-N14 WeakPolarHBondContact O-CB 3.46Å; E10-N14 PolarHBondContact O-N 2.89Å; E10-N14 PolarHBondContact O-ND2 3.22Å; K11-N14 PolarHBondContact O-N 3.01Å; I12-N14 VanDerWaalsContact C-N 3.32Å; I12-N14 PolarHBondContact O-N 2.91Å; N14-A18 WeakPolarHBondContact O-CB 3.34Å; N14-A18 PolarHBondContact O-N 3.31Å
15I80Confident80.1Confident115 Ų115100.9 Ų100.959%0.5952%0.517SS*.Hα-helixtrans-63.5-46.7175.9-67.8164.1000110.7K11 I12 A18 A19K11-I15 VanDerWaalsContact O-CG1 3.29Å; K11-I15 WeakPolarHBondContact O-CG1 3.26Å; K11-I15 PolarHBondContact O-N 3.44Å; I12-I15 PolarHBondContact O-N 3.24Å; I15-A18 PolarHBondContact O-N 2.95Å; I15-A19 WeakPolarHBondContact O-CB 3.33Å; I15-A19 PolarHBondContact O-N 2.9Å
16L82.1Confident81Confident94 Ų94100.7 Ų100.749%0.49252%0.519SS..Hα-helixtrans-63.7-45.2178.6-70.1173.2000111.4I12 K13 A18 A19 F20I12-L16 HydrophobicContact CG2-CD1 3.86Å; I12-L16 HydrophobicContact CG2-CG 4.29Å; I12-L16 WeakPolarHBondContact O-CG 3.37Å; I12-L16 PolarHBondContact O-N 3.25Å; K13-L16 PolarHBondContact O-N 3.25Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 2.86Å; L16-A19 PolarHBondContact O-N 3.27Å; L16-F20 HydrophobicContact CD2-CE2 4.4Å; L16-F20 VanDerWaalsContact O-CD2 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.29Å; L16-F20 PolarHBondContact O-N 3.06Å
17L77.3Confident81.9Confident110 Ų11092.7 Ų92.758%0.57649%0.488SS*.Hα-helixtrans-61.1-37.5176.7-74.4172.2000112.1K13 A21K13-L17 HydrophobicContact CG-CD1 4.05Å; K13-L17 WeakPolarHBondContact O-CB 3.44Å; K13-L17 VanDerWaalsContact O-CG 3.26Å; K13-L17 WeakPolarHBondContact O-CG 3.36Å; K13-L17 PolarHBondContact O-N 3.38Å; L17-A21 VanDerWaalsContact O-CB 3.3Å; L17-A21 WeakPolarHBondContact O-CB 3.46Å; L17-A21 PolarHBondContact O-N 3.43Å
18A72.1Confident82.7Confident70 Ų7092.3 Ų92.358%0.57948%0.48SS*.Hα-helixtrans-71.5-39.7175.600000112.5N14 I15 L16 F20 A21N14-A18 WeakPolarHBondContact O-CB 3.34Å; N14-A18 PolarHBondContact O-N 3.31Å; I15-A18 PolarHBondContact O-N 2.95Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 2.86Å; A18-F20 VanDerWaalsContact C-N 3.31Å; A18-F20 PolarHBondContact O-N 3Å; A18-A21 WeakPolarHBondContact O-CB 3.3Å; A18-A21 PolarHBondContact O-N 2.97Å
19A75.5Confident83.2Confident74 Ų7487.9 Ų87.961%0.61247%0.47SS*.Hα-helixtrans-65.7-33.1179.600000112.9I15 L16I15-A19 WeakPolarHBondContact O-CB 3.33Å; I15-A19 PolarHBondContact O-N 2.9Å; L16-A19 PolarHBondContact O-N 3.27Å
20F75.2Confident83.6Confident181 Ų18189 Ų8979%0.79447%0.471SS*.THydrogen-bonded Turntrans-100.44.4176.2-67.7-73.7000113.5L16 A18L16-F20 HydrophobicContact CD2-CE2 4.4Å; L16-F20 VanDerWaalsContact O-CD2 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.29Å; L16-F20 PolarHBondContact O-N 3.06Å; A18-F20 VanDerWaalsContact C-N 3.31Å; A18-F20 PolarHBondContact O-N 3Å
21A76.1Confident84.2Confident28 Ų2885.1 Ų85.123%0.23145%0.453CS..SBendtrans-66.8147.2172.900000109.6L17 A18 D23 L55L17-A21 VanDerWaalsContact O-CB 3.3Å; L17-A21 WeakPolarHBondContact O-CB 3.46Å; L17-A21 PolarHBondContact O-N 3.43Å; A18-A21 WeakPolarHBondContact O-CB 3.3Å; A18-A21 PolarHBondContact O-N 2.97Å; A21-D23 PolarHBondContact O-N 3.42Å; A21-L55 HydrophobicContact CB-CD1 4.17Å; A21-L55 HydrophobicContact CB-CD2 3.66Å
22A78.7Confident84.6Confident26 Ų2681.3 Ų81.322%0.21544%0.442CS..PPolyproline II helixtrans-56.4136.6166.600000109.1V26 A27A22-V26 HydrophobicContact CB-CB 4.1Å; A22-V26 HydrophobicContact CB-CG1 3.82Å; A22-A27 HydrophobicContact CB-CB 4.2Å
23D86.6Confident85.1Confident76 Ų7680.5 Ų80.541%0.40645%0.445SS..PPolyproline II helixtrans-60.1160.9170.771.983.9000110.1A21 F25 V26 A27A21-D23 PolarHBondContact O-N 3.42Å; D23-F25 PolarHBondContact O-N 2.84Å; D23-F25 VanDerWaalsContact O-N 3.1Å; D23-F25 WeakPolarHBondContact OD1-CA 2.98Å; D23-F25 WeakPolarHBondContact OD1-CB 3.41Å; D23-F25 PolarHBondContact OD1-N 3.13Å; D23-V26 PolarHBondContact O-N 3.12Å; D23-V26 VanDerWaalsContact O-N 3.12Å; D23-V26 PolarHBondContact OD1-N 2.93Å; D23-V26 VanDerWaalsContact OD1-N 3.13Å; D23-V26 WeakPolarHBondContact OD2-CB 3.32Å; D23-V26 WeakPolarHBondContact OD2-CG2 3.47Å; D23-A27 WeakPolarHBondContact O-CB 3.42Å; D23-A27 PolarHBondContact O-N 3.1Å
24P87.3Confident85.8Confident70 Ų7076.8 Ų76.846%0.45543%0.428SS..Hα-helixtrans-55.7-33.4-173.7-28.536.2000114.7Y28 L55P24-Y28 WeakPolarHBondContact O-CB 3.48Å; P24-Y28 PolarHBondContact O-N 3.21Å; P24-L55 WeakPolarHBondContact CA-O 3.49Å
25F90.2Very high86.6Confident177 Ų17778.1 Ų78.178%0.77643%0.426SS*.Hα-helixtrans-74.2-43-179.9-59.4-82.8000111.3D23 Y28 G29D23-F25 PolarHBondContact O-N 2.84Å; D23-F25 VanDerWaalsContact O-N 3.1Å; D23-F25 WeakPolarHBondContact OD1-CA 2.98Å; D23-F25 WeakPolarHBondContact OD1-CB 3.41Å; D23-F25 PolarHBondContact OD1-N 3.13Å; F25-Y28 PolarHBondContact O-N 2.93Å; F25-G29 PolarHBondContact O-N 2.92Å
26V91.2Very high87.2Confident66 Ų6673.6 Ų73.640%0.440%0.403SS..Hα-helixtrans-65.7-41.5174.7173.70000110.9A22 D23 Y28 G29 Q30A22-V26 HydrophobicContact CB-CB 4.1Å; A22-V26 HydrophobicContact CB-CG1 3.82Å; D23-V26 PolarHBondContact O-N 3.12Å; D23-V26 VanDerWaalsContact O-N 3.12Å; D23-V26 PolarHBondContact OD1-N 2.93Å; D23-V26 VanDerWaalsContact OD1-N 3.13Å; D23-V26 WeakPolarHBondContact OD2-CB 3.32Å; D23-V26 WeakPolarHBondContact OD2-CG2 3.47Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 3Å; V26-G29 PolarHBondContact O-N 3.08Å; V26-Q30 HydrophobicContact CG1-CG 4.39Å; V26-Q30 WeakPolarHBondContact O-CB 3.34Å; V26-Q30 WeakPolarHBondContact O-CG 3.25Å; V26-Q30 PolarHBondContact O-N 3.28Å
27A91.5Very high87.6Confident0 Ų077 Ų770%041%0.409CS..Hα-helixtrans-59.9-44175.900000111.7A22 D23 Q30 L31 L55 A56A22-A27 HydrophobicContact CB-CB 4.2Å; D23-A27 WeakPolarHBondContact O-CB 3.42Å; D23-A27 PolarHBondContact O-N 3.1Å; A27-Q30 PolarHBondContact O-N 3.12Å; A27-L31 WeakPolarHBondContact O-CB 3.41Å; A27-L31 PolarHBondContact O-N 3.33Å; A27-L55 HydrophobicContact CB-CB 3.61Å; A27-A56 HydrophobicContact CB-CB 4.25Å
28Y93.9Very high87.9Confident132 Ų13278.3 Ų78.352%0.51843%0.425SS..Hα-helixtrans-63.4-42.7175.2-175.1-95.3000112.5P24 F25 V26 Q30 L31 T32 A56 M59P24-Y28 WeakPolarHBondContact O-CB 3.48Å; P24-Y28 PolarHBondContact O-N 3.21Å; F25-Y28 PolarHBondContact O-N 2.93Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 3Å; Y28-Q30 PolarHBondContact O-N 2.91Å; Y28-L31 PolarHBondContact O-N 3.45Å; Y28-T32 HydrophobicContact CD1-CG2 4.27Å; Y28-T32 HydrophobicContact CE1-CG2 3.8Å; Y28-T32 HydrophobicContact CE2-CG2 4.38Å; Y28-T32 WeakPolarHBondContact O-CG2 3.5Å; Y28-T32 PolarHBondContact O-N 3.39Å; Y28-T32 PolarHBondContact O-OG1 3.47Å; Y28-T32 VanDerWaalsContact O-OG1 3.09Å; Y28-A56 HydrophobicContact CD2-CB 4.47Å; Y28-M59 HydrophobicContact CD2-CE 3.41Å; Y28-M59 VanDerWaalsContact CD2-CE 3.41Å; Y28-M59 HydrophobicContact CE2-CE 3.59Å
29G92.7Very high88.3Confident33 Ų3379.3 Ų79.334%0.3444%0.442SS..Hα-helixtrans-62.8-40.9175.700000112.9F25 V26 T32 S33F25-G29 PolarHBondContact O-N 2.92Å; V26-G29 PolarHBondContact O-N 3.08Å; G29-T32 PolarHBondContact O-OG1 3.39Å; G29-T32 VanDerWaalsContact O-OG1 3.08Å; G29-S33 WeakPolarHBondContact O-CB 3.35Å; G29-S33 PolarHBondContact O-N 3.41Å; G29-S33 PolarHBondContact O-OG 3.31Å
30Q94.3Very high89Confident89 Ų8977.5 Ų77.542%0.41642%0.42SS..Hα-helixtrans-65.7-40.3174.4-72.8179.32.900111.5V26 A27 Y28 S33 R34 L52V26-Q30 HydrophobicContact CG1-CG 4.39Å; V26-Q30 WeakPolarHBondContact O-CB 3.34Å; V26-Q30 WeakPolarHBondContact O-CG 3.25Å; V26-Q30 PolarHBondContact O-N 3.28Å; A27-Q30 PolarHBondContact O-N 3.12Å; Y28-Q30 PolarHBondContact O-N 2.91Å; Q30-S33 PolarHBondContact O-N 3.38Å; Q30-S33 PolarHBondContact O-OG 3.4Å; Q30-R34 WeakPolarHBondContact O-CB 3.49Å; Q30-R34 PolarHBondContact O-N 2.88Å; Q30-L52 HydrophobicContact CB-CD1 4.07Å; Q30-L52 HydrophobicContact CB-CD2 3.94Å
31L94.9Very high89.7Confident8 Ų871 Ų714%0.04240%0.4CS..Hα-helixtrans-61.8-47.5178.8-175.6146.4000111.9A27 Y28 S33 R34 L49 L52 M59 L64 A67A27-L31 WeakPolarHBondContact O-CB 3.41Å; A27-L31 PolarHBondContact O-N 3.33Å; Y28-L31 PolarHBondContact O-N 3.45Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.26Å; L31-R34 WeakPolarHBondContact O-CB 3.49Å; L31-R34 PolarHBondContact O-N 2.88Å; L31-L49 HydrophobicContact CG-CD2 4.14Å; L31-L52 HydrophobicContact CB-CB 4.01Å; L31-L52 HydrophobicContact CB-CD1 4.4Å; L31-L52 HydrophobicContact CD1-CB 4.04Å; L31-L52 HydrophobicContact CG-CB 4.45Å; L31-M59 HydrophobicContact CD1-CE 3.92Å; L31-M59 HydrophobicContact CD1-SD 3.54Å; L31-M59 VanDerWaalsContact CD1-SD 3.54Å; L31-M59 HydrophobicContact CD2-CE 4.16Å; L31-M59 HydrophobicContact CD2-SD 4.06Å; L31-M59 HydrophobicContact CG-SD 4.47Å; L31-L64 HydrophobicContact CD1-CD2 4.28Å; L31-A67 HydrophobicContact CD2-CB 4.01Å
32T93.1Very high90.4Very high66 Ų6670.3 Ų70.341%0.40539%0.394SS..Hα-helixtrans-70.2-31-176.951.70000113Y28 G29 R35Y28-T32 HydrophobicContact CD1-CG2 4.27Å; Y28-T32 HydrophobicContact CE1-CG2 3.8Å; Y28-T32 HydrophobicContact CE2-CG2 4.38Å; Y28-T32 WeakPolarHBondContact O-CG2 3.5Å; Y28-T32 PolarHBondContact O-N 3.39Å; Y28-T32 PolarHBondContact O-OG1 3.47Å; Y28-T32 VanDerWaalsContact O-OG1 3.09Å; G29-T32 PolarHBondContact O-OG1 3.39Å; G29-T32 VanDerWaalsContact O-OG1 3.08Å; T32-R35 PolarHBondContact O-NH1 2.96Å
33S93.8Very high91.1Very high77 Ų7772 Ų7254%0.53840%0.399SS..Hα-helixtrans-86.4-13.3176.558.90000113.8G29 Q30 L31 R35G29-S33 WeakPolarHBondContact O-CB 3.35Å; G29-S33 PolarHBondContact O-N 3.41Å; G29-S33 PolarHBondContact O-OG 3.31Å; Q30-S33 PolarHBondContact O-N 3.38Å; Q30-S33 PolarHBondContact O-OG 3.4Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.26Å; S33-R35 PolarHBondContact O-N 3.39Å; S33-R35 PolarHBondContact O-NH1 3.49Å
34R95.5Very high91.6Very high25 Ų2572.4 Ų72.49%0.09440%0.404CS..  trans-63127.4-177.6-169.264.2162.781.55.5111.5Q30 L31 E40 F45 D48 L49Q30-R34 WeakPolarHBondContact O-CB 3.49Å; Q30-R34 PolarHBondContact O-N 2.88Å; L31-R34 WeakPolarHBondContact O-CB 3.49Å; L31-R34 PolarHBondContact O-N 2.88Å; R34-E40 IonicContact CZ-OE1 2.59Å; R34-E40 IonicContact CZ-OE2 3.65Å; R34-E40 IonicContact NH1-OE1 3Å; R34-E40 IonicContact NH1-OE2 2.85Å; R34-E40 PolarHBondContact NH1-OE2 2.91Å; R34-E40 IonicContact NH2-OE1 2.98Å; R34-E40 PolarHBondContact NH2-OE1 3.41Å; R34-E40 IonicContact NH2-OE2 3.64Å; R34-E40 PolarHBondContact NH2-OE2 2.92Å; R34-F45 HydrophobicContact CB-CE2 4.27Å; R34-F45 HydrophobicContact CG-CD2 3.87Å; R34-F45 HydrophobicContact CG-CE2 3.48Å; R34-F45 VanDerWaalsContact CG-CE2 3.48Å; R34-D48 IonicContact CZ-OD2 3.54Å; R34-D48 IonicContact NE-OD2 2.71Å; R34-D48 PolarHBondContact NE-OD2 3.34Å; R34-D48 IonicContact NH2-OD2 3.88Å; R34-D48 PolarHBondContact NH2-OD2 3.27Å; R34-D48 VanDerWaalsContact NH2-OD2 3.16Å; R34-L49 HydrophobicContact CB-CD2 4.01Å; R34-L49 HydrophobicContact CG-CD2 4.15Å
35R95.9Very high92Very high123 Ų12369.1 Ų69.146%0.46438%0.382SS..  trans-123.9147.3169.8-59-59.1176.8-93.5-0.4109.3T32 S33 R37 G71T32-R35 PolarHBondContact O-NH1 2.96Å; S33-R35 PolarHBondContact O-N 3.39Å; S33-R35 PolarHBondContact O-NH1 3.49Å; R35-R37 PolarHBondContact O-N 3.29Å; R35-G71 CarbonylContact C-O 3.58Å; R35-G71 WeakPolarHBondContact CA-O 3.34Å
36L93.8Very high92.3Very high21 Ų2160.8 Ų60.811%0.1135%0.346CS..PPolyproline II helixtrans-56.6125.7172.6-178.469.7000109.2E40 F45 G71 L72 M102L36-E40 HydrophobicContact CD1-CB 3.91Å; L36-E40 HydrophobicContact CD1-CG 3.86Å; L36-F45 HydrophobicContact CB-CD1 3.95Å; L36-F45 HydrophobicContact CB-CE1 4.24Å; L36-F45 HydrophobicContact CB-CG 4.29Å; L36-F45 HydrophobicContact CD1-CB 3.45Å; L36-F45 VanDerWaalsContact CD1-CB 3.45Å; L36-F45 HydrophobicContact CD1-CD1 3.83Å; L36-F45 HydrophobicContact CD1-CG 3.81Å; L36-F45 HydrophobicContact CG-CD1 4.45Å; L36-G71 PolarHBondContact N-O 2.99Å; L36-L72 HydrophobicContact CB-CD2 4.36Å; L36-L72 HydrophobicContact CD2-CD2 3.78Å; L36-M102 HydrophobicContact CD2-CE 4.31Å
37R90.7Very high92.5Very high164 Ų16460.4 Ų60.462%0.61935%0.349SS*.PPolyproline II helixtrans-80.7153.2-179.2-63.3174.9-177.5179.31.8110.9R35 G39 E40R35-R37 PolarHBondContact O-N 3.29Å; R37-G39 PolarHBondContact O-N 3.45Å; R37-E40 HydrophobicContact CB-CB 3.96Å; R37-E40 WeakPolarHBondContact CB-OE2 3.49Å; R37-E40 PolarHBondContact N-OE2 3.31Å; R37-E40 VanDerWaalsContact O-CB 3.28Å; R37-E40 WeakPolarHBondContact O-CB 3.39Å; R37-E40 PolarHBondContact O-N 3.32Å
38P83Confident92.7Very high139 Ų13962.1 Ų62.190%0.90336%0.359SS*.THydrogen-bonded Turntrans-55.6125.6172.1-23.834000111.2E40P38-E40 PolarHBondContact O-N 2.99Å
39G81.3Confident92.8Very high91 Ų9155.9 Ų55.994%0.93833%0.334SS*.THydrogen-bonded Turntrans78.8-3-178.300000115.4R37R37-G39 PolarHBondContact O-N 3.45Å
40E89.4Confident93Very high35 Ų3558.4 Ų58.416%0.16433%0.334CS..  trans-75137.1174.3-179.8175.7-155.600111.1R34 L36 R37 P38 V44 F45R34-E40 IonicContact CZ-OE1 2.59Å; R34-E40 IonicContact CZ-OE2 3.65Å; R34-E40 IonicContact NH1-OE1 3Å; R34-E40 IonicContact NH1-OE2 2.85Å; R34-E40 PolarHBondContact NH1-OE2 2.91Å; R34-E40 IonicContact NH2-OE1 2.98Å; R34-E40 PolarHBondContact NH2-OE1 3.41Å; R34-E40 IonicContact NH2-OE2 3.64Å; R34-E40 PolarHBondContact NH2-OE2 2.92Å; L36-E40 HydrophobicContact CD1-CB 3.91Å; L36-E40 HydrophobicContact CD1-CG 3.86Å; R37-E40 HydrophobicContact CB-CB 3.96Å; R37-E40 WeakPolarHBondContact CB-OE2 3.49Å; R37-E40 PolarHBondContact N-OE2 3.31Å; R37-E40 VanDerWaalsContact O-CB 3.28Å; R37-E40 WeakPolarHBondContact O-CB 3.39Å; R37-E40 PolarHBondContact O-N 3.32Å; P38-E40 PolarHBondContact O-N 2.99Å; E40-V44 HydrophobicContact CG-CB 4.19Å; E40-V44 HydrophobicContact CG-CG1 4.33Å; E40-F45 HydrophobicContact CG-CB 4.39Å; E40-F45 PolarHBondContact OE1-N 2.92Å
41A89.7Confident93Very high44 Ų4460.9 Ų60.936%0.36434%0.339SS..  trans-72.7139.1174.200000110.8D43 V44 F45A41-D43 PolarHBondContact O-N 3.35Å; A41-D43 VanDerWaalsContact O-N 3.08Å; A41-V44 HydrophobicContact CB-CG2 4.15Å; A41-V44 PolarHBondContact O-N 3.16Å; A41-F45 PolarHBondContact O-N 2.99Å; A41-F45 VanDerWaalsContact O-N 3.15Å
42P91.4Very high92.9Very high15 Ų1560.6 Ų60.610%0.09734%0.338CS..Hα-helixtrans-53.1-33.1176.3-27.235.1000113.3F45 L46 F68 L95 M102P42-F45 PolarHBondContact O-N 3.35Å; P42-L46 WeakPolarHBondContact O-CB 3.33Å; P42-L46 PolarHBondContact O-N 2.83Å; P42-F68 HydrophobicContact CB-CE2 4.37Å; P42-F68 HydrophobicContact CB-CZ 4.13Å; P42-L95 HydrophobicContact CB-CD1 3.73Å; P42-M102 HydrophobicContact CG-CG 4.31Å
43D94.1Very high93Very high62 Ų6257.6 Ų57.633%0.33232%0.319SS..Hα-helixtrans-59.7-47.4175.2-62.4-102.4000113.2A41 F45 L46 A47 R99A41-D43 PolarHBondContact O-N 3.35Å; A41-D43 VanDerWaalsContact O-N 3.08Å; D43-F45 VanDerWaalsContact C-N 3.34Å; D43-L46 PolarHBondContact O-N 2.82Å; D43-A47 WeakPolarHBondContact O-CB 2.97Å; D43-A47 PolarHBondContact O-N 2.65Å; D43-R99 IonicContact OD1-CZ 3.58Å; D43-R99 VanDerWaalsContact OD1-CZ 3.3Å; D43-R99 IonicContact OD1-NE 2.89Å; D43-R99 PolarHBondContact OD1-NE 3.43Å; D43-R99 IonicContact OD1-NH2 3.51Å; D43-R99 PolarHBondContact OD1-NH2 2.79Å; D43-R99 IonicContact OD2-NE 3.74Å; D43-R99 PolarHBondContact OD2-NE 3.05Å
44V95.3Very high92.9Very high84 Ų8458.1 Ų58.151%0.50932%0.323SS..Hα-helixtrans-66.8-42.6179.9177.30000109.6E40 A41 A47 D48E40-V44 HydrophobicContact CG-CB 4.19Å; E40-V44 HydrophobicContact CG-CG1 4.33Å; A41-V44 HydrophobicContact CB-CG2 4.15Å; A41-V44 PolarHBondContact O-N 3.16Å; V44-A47 PolarHBondContact O-N 3.21Å; V44-D48 WeakPolarHBondContact O-CB 3.49Å; V44-D48 PolarHBondContact O-N 2.75Å
45F96.7Very high92.6Very high0 Ų059.4 Ų59.40%033%0.332CS..Hα-helixtrans-61.1-46.4176.3170.5-134.9000111.9R34 L36 E40 A41 P42 D43 D48 L49 F68 L72R34-F45 HydrophobicContact CB-CE2 4.27Å; R34-F45 HydrophobicContact CG-CD2 3.87Å; R34-F45 HydrophobicContact CG-CE2 3.48Å; R34-F45 VanDerWaalsContact CG-CE2 3.48Å; L36-F45 HydrophobicContact CB-CD1 3.95Å; L36-F45 HydrophobicContact CB-CE1 4.24Å; L36-F45 HydrophobicContact CB-CG 4.29Å; L36-F45 HydrophobicContact CD1-CB 3.45Å; L36-F45 VanDerWaalsContact CD1-CB 3.45Å; L36-F45 HydrophobicContact CD1-CD1 3.83Å; L36-F45 HydrophobicContact CD1-CG 3.81Å; L36-F45 HydrophobicContact CG-CD1 4.45Å; E40-F45 HydrophobicContact CG-CB 4.39Å; E40-F45 PolarHBondContact OE1-N 2.92Å; A41-F45 PolarHBondContact O-N 2.99Å; A41-F45 VanDerWaalsContact O-N 3.15Å; P42-F45 PolarHBondContact O-N 3.35Å; D43-F45 VanDerWaalsContact C-N 3.34Å; F45-D48 PolarHBondContact O-N 2.89Å; F45-L49 HydrophobicContact CD2-CD1 4.28Å; F45-L49 HydrophobicContact CD2-CG 4.11Å; F45-L49 HydrophobicContact CE1-CD1 4.15Å; F45-L49 HydrophobicContact CE2-CD1 3.59Å; F45-L49 HydrophobicContact CE2-CD2 3.89Å; F45-L49 HydrophobicContact CE2-CG 3.61Å; F45-L49 HydrophobicContact CZ-CD1 3.52Å; F45-L49 HydrophobicContact CZ-CD2 4.42Å; F45-L49 HydrophobicContact CZ-CG 4.09Å; F45-L49 WeakPolarHBondContact O-CG 3.33Å; F45-L49 PolarHBondContact O-N 3.49Å; F45-F68 AromaticContact CD1-CD2 3.66Å; F45-F68 HydrophobicContact CD1-CD2 3.66Å; F45-F68 AromaticContact CD1-CE2 3.67Å; F45-F68 HydrophobicContact CD1-CE2 3.67Å; F45-F68 AromaticContact CE1-CD2 3.59Å; F45-F68 HydrophobicContact CE1-CD2 3.59Å; F45-F68 HydrophobicContact CE1-CE2 4.01Å; F45-F68 HydrophobicContact CE1-CG 4.35Å; F45-F68 HydrophobicContact CZ-CD2 4.46Å; F45-L72 HydrophobicContact CD1-CD2 4.31Å; F45-L72 HydrophobicContact CE1-CD2 4.21Å; F45-L72 HydrophobicContact CE1-CG 4.49Å
46L96.2Very high92.4Very high3 Ų354.6 Ų54.62%0.01632%0.319CS..Hα-helixtrans-65.6-39.6177.7-17566.9000112.4P42 D43 D48 L49 R50 F68 L91 L95P42-L46 WeakPolarHBondContact O-CB 3.33Å; P42-L46 PolarHBondContact O-N 2.83Å; D43-L46 PolarHBondContact O-N 2.82Å; L46-D48 VanDerWaalsContact C-N 3.29Å; L46-D48 PolarHBondContact O-N 3.3Å; L46-L49 PolarHBondContact O-N 2.95Å; L46-R50 PolarHBondContact O-N 3.49Å; L46-F68 HydrophobicContact CB-CD2 4.03Å; L46-F68 HydrophobicContact CB-CE2 3.97Å; L46-F68 HydrophobicContact CD1-CB 4.14Å; L46-F68 HydrophobicContact CD1-CD2 3.72Å; L46-F68 HydrophobicContact CD1-CE2 4.35Å; L46-F68 HydrophobicContact CD1-CG 4.05Å; L46-F68 HydrophobicContact CG-CD2 4.45Å; L46-L91 HydrophobicContact CD1-CD1 3.71Å; L46-L91 HydrophobicContact CD1-CD2 3.88Å; L46-L91 HydrophobicContact CD1-CG 3.8Å; L46-L91 HydrophobicContact CD2-CD2 4.41Å; L46-L91 HydrophobicContact CD2-CG 4.02Å; L46-L91 HydrophobicContact CG-CG 4.46Å; L46-L95 HydrophobicContact CB-CD1 4.48Å; L46-L95 HydrophobicContact CD2-CB 4.16Å; L46-L95 HydrophobicContact CD2-CD1 4.26Å; L46-L95 HydrophobicContact CD2-CD2 3.92Å; L46-L95 HydrophobicContact CD2-CG 4.34Å
47A95.8Very high92.1Very high57 Ų5757 Ų5747%0.47135%0.348SS..Hα-helixtrans-61-40.7176.200000111.5D43 V44 R50 R51D43-A47 WeakPolarHBondContact O-CB 2.97Å; D43-A47 PolarHBondContact O-N 2.65Å; V44-A47 PolarHBondContact O-N 3.21Å; A47-R50 PolarHBondContact O-N 3.16Å; A47-R51 WeakPolarHBondContact O-CB 3.33Å; A47-R51 PolarHBondContact O-N 3.5Å
48D95.1Very high92.1Very high37 Ų3751.6 Ų51.620%0.19834%0.343CS..Hα-helixtrans-67.6-40.3176.1-164.238.9000111.7R34 V44 F45 L46 R50 R51 L52R34-D48 IonicContact CZ-OD2 3.54Å; R34-D48 IonicContact NE-OD2 2.71Å; R34-D48 PolarHBondContact NE-OD2 3.34Å; R34-D48 IonicContact NH2-OD2 3.88Å; R34-D48 PolarHBondContact NH2-OD2 3.27Å; R34-D48 VanDerWaalsContact NH2-OD2 3.16Å; V44-D48 WeakPolarHBondContact O-CB 3.49Å; V44-D48 PolarHBondContact O-N 2.75Å; F45-D48 PolarHBondContact O-N 2.89Å; L46-D48 VanDerWaalsContact C-N 3.29Å; L46-D48 PolarHBondContact O-N 3.3Å; D48-R50 PolarHBondContact O-N 3.05Å; D48-R51 PolarHBondContact O-N 3.48Å; D48-R51 IonicContact OD1-NH1 3.38Å; D48-R51 PolarHBondContact OD1-NH1 3.08Å; D48-L52 WeakPolarHBondContact O-CB 3.46Å; D48-L52 WeakPolarHBondContact O-CG 3.39Å; D48-L52 PolarHBondContact O-N 3.09Å
49L97.1Very high92.5Very high0 Ų047.2 Ų47.20%031%0.311CS..Hα-helixtrans-61-43.4172.6-72.9-179.9000112.5L31 R34 F45 L46 L52 G53 L64 A67 F68L31-L49 HydrophobicContact CG-CD2 4.14Å; R34-L49 HydrophobicContact CB-CD2 4.01Å; R34-L49 HydrophobicContact CG-CD2 4.15Å; F45-L49 HydrophobicContact CD2-CD1 4.28Å; F45-L49 HydrophobicContact CD2-CG 4.11Å; F45-L49 HydrophobicContact CE1-CD1 4.15Å; F45-L49 HydrophobicContact CE2-CD1 3.59Å; F45-L49 HydrophobicContact CE2-CD2 3.89Å; F45-L49 HydrophobicContact CE2-CG 3.61Å; F45-L49 HydrophobicContact CZ-CD1 3.52Å; F45-L49 HydrophobicContact CZ-CD2 4.42Å; F45-L49 HydrophobicContact CZ-CG 4.09Å; F45-L49 WeakPolarHBondContact O-CG 3.33Å; F45-L49 PolarHBondContact O-N 3.49Å; L46-L49 PolarHBondContact O-N 2.95Å; L49-L52 PolarHBondContact O-N 3.22Å; L49-G53 PolarHBondContact O-N 3.45Å; L49-L64 HydrophobicContact CB-CD2 4.48Å; L49-A67 HydrophobicContact CD1-CB 4.35Å; L49-A67 HydrophobicContact CD2-CB 4.44Å; L49-F68 HydrophobicContact CD1-CB 3.9Å; L49-F68 HydrophobicContact CD1-CD2 4.25Å
50R95.9Very high93Very high86 Ų8645.8 Ų45.833%0.32529%0.287SS..Hα-helixtrans-60.2-46.6175.4-81.3177.1167.5160.2-3.8111L46 A47 D48 G53 S54 E61 L64L46-R50 PolarHBondContact O-N 3.49Å; A47-R50 PolarHBondContact O-N 3.16Å; D48-R50 PolarHBondContact O-N 3.05Å; R50-G53 PolarHBondContact O-N 3.15Å; R50-S54 PolarHBondContact O-N 2.99Å; R50-S54 PolarHBondContact O-OG 3.08Å; R50-S54 VanDerWaalsContact O-OG 3.12Å; R50-E61 IonicContact NE-OE1 3.79Å; R50-E61 IonicContact NH2-OE1 3.63Å; R50-E61 IonicContact NH2-OE2 3.58Å; R50-L64 HydrophobicContact CG-CD1 3.99Å
51R93.5Very high93Very high141 Ų14148.7 Ų48.753%0.53230%0.301SS..Hα-helixtrans-58-50.6175.9174.2-177.8165.2-112.1-3.5111.6A47 D48 G53 S54 L55A47-R51 WeakPolarHBondContact O-CB 3.33Å; A47-R51 PolarHBondContact O-N 3.5Å; D48-R51 PolarHBondContact O-N 3.48Å; D48-R51 IonicContact OD1-NH1 3.38Å; D48-R51 PolarHBondContact OD1-NH1 3.08Å; R51-G53 VanDerWaalsContact C-N 3.33Å; R51-G53 PolarHBondContact O-N 3.2Å; R51-S54 PolarHBondContact O-N 3.41Å; R51-L55 HydrophobicContact CG-CD1 4.44Å; R51-L55 WeakPolarHBondContact O-CG 3.44Å; R51-L55 PolarHBondContact O-N 2.89Å; R51-L55 VanDerWaalsContact O-N 3.08Å
52L94.4Very high92.9Very high3 Ų350.7 Ų50.72%0.01631%0.312CS..Hα-helixtrans-64-38.2179-69.6171000111.9Q30 L31 D48 L49 L55 A56Q30-L52 HydrophobicContact CB-CD1 4.07Å; Q30-L52 HydrophobicContact CB-CD2 3.94Å; L31-L52 HydrophobicContact CB-CB 4.01Å; L31-L52 HydrophobicContact CB-CD1 4.4Å; L31-L52 HydrophobicContact CD1-CB 4.04Å; L31-L52 HydrophobicContact CG-CB 4.45Å; D48-L52 WeakPolarHBondContact O-CB 3.46Å; D48-L52 WeakPolarHBondContact O-CG 3.39Å; D48-L52 PolarHBondContact O-N 3.09Å; L49-L52 PolarHBondContact O-N 3.22Å; L52-L55 PolarHBondContact O-N 2.63Å; L52-A56 WeakPolarHBondContact O-CB 3.19Å; L52-A56 PolarHBondContact O-N 3.19Å
53G94.8Very high92.9Very high2 Ų253.2 Ų53.22%0.02133%0.327CS..Hα-helixtrans-64.6-39.8176.300000112.5L49 R50 R51 A56 G58L49-G53 PolarHBondContact O-N 3.45Å; R50-G53 PolarHBondContact O-N 3.15Å; R51-G53 VanDerWaalsContact C-N 3.33Å; R51-G53 PolarHBondContact O-N 3.2Å; G53-A56 PolarHBondContact O-N 2.81Å; G53-G58 CarbonylContact O-C 3.59Å; G53-G58 VanDerWaalsContact O-CA 3.25Å; G53-G58 WeakPolarHBondContact O-CA 3.47Å; G53-G58 PolarHBondContact O-N 3.46Å
54S91.6Very high92.8Very high89 Ų8950.7 Ų50.762%0.62231%0.314SS*.Hα-helixtrans-64-41.3172.7-61.40000112.3R50 R51 A56 G57R50-S54 PolarHBondContact O-N 2.99Å; R50-S54 PolarHBondContact O-OG 3.08Å; R50-S54 VanDerWaalsContact O-OG 3.12Å; R51-S54 PolarHBondContact O-N 3.41Å; S54-A56 VanDerWaalsContact C-N 3.33Å; S54-G57 PolarHBondContact O-N 3.32Å
55L90Very high92.7Very high51 Ų5147.1 Ų47.127%0.26729%0.293SS..Hα-helixtrans-69-31177.5-68.9177.9000112.9A21 P24 A27 R51 L52 G57A21-L55 HydrophobicContact CB-CD1 4.17Å; A21-L55 HydrophobicContact CB-CD2 3.66Å; P24-L55 WeakPolarHBondContact CA-O 3.49Å; A27-L55 HydrophobicContact CB-CB 3.61Å; R51-L55 HydrophobicContact CG-CD1 4.44Å; R51-L55 WeakPolarHBondContact O-CG 3.44Å; R51-L55 PolarHBondContact O-N 2.89Å; R51-L55 VanDerWaalsContact O-N 3.08Å; L52-L55 PolarHBondContact O-N 2.63Å; L55-G57 PolarHBondContact O-N 2.74Å
56A90.2Very high92.4Very high23 Ų2351 Ų5119%0.1932%0.319CS..THydrogen-bonded Turntrans-77.49.8177.100000114.3A27 Y28 L52 G53 S54 M59A27-A56 HydrophobicContact CB-CB 4.25Å; Y28-A56 HydrophobicContact CD2-CB 4.47Å; L52-A56 WeakPolarHBondContact O-CB 3.19Å; L52-A56 PolarHBondContact O-N 3.19Å; G53-A56 PolarHBondContact O-N 2.81Å; S54-A56 VanDerWaalsContact C-N 3.33Å; A56-M59 HydrophobicContact CB-CE 4.05Å
57G88.4Confident92.2Very high71 Ų7151.4 Ų51.473%0.73232%0.324SS*.THydrogen-bonded Turntrans101.49.3179.600000115.1S54 L55S54-G57 PolarHBondContact O-N 3.32Å; L55-G57 PolarHBondContact O-N 2.74Å
58G90.1Very high92.2Very high50 Ų5048.7 Ų48.752%0.51530%0.301SS..  trans88.3137.6-177.300000112.2G53G53-G58 CarbonylContact O-C 3.59Å; G53-G58 VanDerWaalsContact O-CA 3.25Å; G53-G58 WeakPolarHBondContact O-CA 3.47Å; G53-G58 PolarHBondContact O-N 3.46Å
59M91.2Very high92Very high47 Ų4747.2 Ų47.223%0.23229%0.293CS..  trans-133.2148179-68.4-169.8173.600110Y28 L31 A56 V63 L64Y28-M59 HydrophobicContact CD2-CE 3.41Å; Y28-M59 VanDerWaalsContact CD2-CE 3.41Å; Y28-M59 HydrophobicContact CE2-CE 3.59Å; L31-M59 HydrophobicContact CD1-CE 3.92Å; L31-M59 HydrophobicContact CD1-SD 3.54Å; L31-M59 VanDerWaalsContact CD1-SD 3.54Å; L31-M59 HydrophobicContact CD2-CE 4.16Å; L31-M59 HydrophobicContact CD2-SD 4.06Å; L31-M59 HydrophobicContact CG-SD 4.47Å; A56-M59 HydrophobicContact CB-CE 4.05Å; M59-V63 HydrophobicContact CB-CG1 4.41Å; M59-V63 HydrophobicContact CG-CG1 4.46Å; M59-V63 HydrophobicContact SD-CG1 3.83Å; M59-L64 HydrophobicContact CB-CD2 4.26Å; M59-L64 HydrophobicContact CB-CG 4.12Å; M59-L64 HydrophobicContact SD-CD2 4.38Å
60S91.9Very high91.7Very high61 Ų6150 Ų5043%0.42731%0.311SS..  trans-67.5152.3172.664.50000111S62 V63 L64S60-S62 PolarHBondContact O-N 2.8Å; S60-S62 VanDerWaalsContact O-N 3.16Å; S60-S62 PolarHBondContact OG-OG 3.02Å; S60-V63 PolarHBondContact O-N 3.33Å; S60-V63 WeakPolarHBondContact OG-CG2 3.46Å; S60-V63 PolarHBondContact OG-N 2.91Å; S60-L64 PolarHBondContact O-N 2.92Å
61E89.8Confident91.6Very high96 Ų9646 Ų4645%0.44930%0.296SS..Hα-helixtrans-56.2-31.1174.3-73.6-81.412500112.1R50 G65 L91R50-E61 IonicContact NE-OE1 3.79Å; R50-E61 IonicContact NH2-OE1 3.63Å; R50-E61 IonicContact NH2-OE2 3.58Å; E61-G65 PolarHBondContact O-N 3.22Å; E61-L91 WeakPolarHBondContact OE2-CB 3.29Å; E61-L91 WeakPolarHBondContact OE2-CD2 3.3Å
62S86.9Confident91.5Very high86 Ų8639.5 Ų39.560%0.60127%0.272SS*.Hα-helixtrans-66.3-42.4175.256.90000112.9S60 G65 C66S60-S62 PolarHBondContact O-N 2.8Å; S60-S62 VanDerWaalsContact O-N 3.16Å; S60-S62 PolarHBondContact OG-OG 3.02Å; S62-G65 PolarHBondContact O-N 3.47Å; S62-C66 PolarHBondContact O-N 2.96Å; S62-C66 PolarHBondContact O-SG 3.26Å; S62-C66 VanDerWaalsContact O-SG 3.4Å
63V90.9Very high91Very high69 Ų6941.5 Ų41.542%0.41829%0.285SS..Hα-helixtrans-68.6-41.6177.1172.40000110.3M59 S60 G65 C66 A67M59-V63 HydrophobicContact CB-CG1 4.41Å; M59-V63 HydrophobicContact CG-CG1 4.46Å; M59-V63 HydrophobicContact SD-CG1 3.83Å; S60-V63 PolarHBondContact O-N 3.33Å; S60-V63 WeakPolarHBondContact OG-CG2 3.46Å; S60-V63 PolarHBondContact OG-N 2.91Å; V63-G65 VanDerWaalsContact C-N 3.31Å; V63-G65 PolarHBondContact O-N 2.93Å; V63-C66 WeakPolarHBondContact O-CB 3.33Å; V63-C66 PolarHBondContact O-N 3.28Å; V63-A67 PolarHBondContact O-N 3.11Å
64L93.9Very high90.3Very high9 Ų948.5 Ų48.55%0.04732%0.317CS..Hα-helixtrans-62.6-38.2173.2-69.5176.1000111.9L31 L49 R50 M59 S60 A67 F68 L91L31-L64 HydrophobicContact CD1-CD2 4.28Å; L49-L64 HydrophobicContact CB-CD2 4.48Å; R50-L64 HydrophobicContact CG-CD1 3.99Å; M59-L64 HydrophobicContact CB-CD2 4.26Å; M59-L64 HydrophobicContact CB-CG 4.12Å; M59-L64 HydrophobicContact SD-CD2 4.38Å; S60-L64 PolarHBondContact O-N 2.92Å; L64-A67 PolarHBondContact O-N 3.28Å; L64-F68 VanDerWaalsContact O-CB 3.29Å; L64-F68 WeakPolarHBondContact O-CB 3.32Å; L64-F68 PolarHBondContact O-N 3.42Å; L64-L91 HydrophobicContact CB-CD1 4.48Å; L64-L91 HydrophobicContact CB-CD2 3.92Å; L64-L91 HydrophobicContact CD1-CD2 4.35Å
65G91.5Very high89.4Confident8 Ų847.9 Ų47.98%0.08231%0.305CS..Hα-helixtrans-61.9-44173.500000112.4E61 S62 V63 F68 V69 L91E61-G65 PolarHBondContact O-N 3.22Å; S62-G65 PolarHBondContact O-N 3.47Å; V63-G65 VanDerWaalsContact C-N 3.31Å; V63-G65 PolarHBondContact O-N 2.93Å; G65-F68 PolarHBondContact O-N 2.91Å; G65-V69 WeakPolarHBondContact O-CG2 3.4Å; G65-V69 PolarHBondContact O-N 3.31Å; G65-L91 VanDerWaalsContact CA-CD1 3.44Å
66C90.1Very high88.9Confident81 Ų8145.6 Ų45.655%0.54729%0.293SS..Hα-helixtrans-60.6-47.1173.1-72.40000111.9S62 V63 F68 V69 T70S62-C66 PolarHBondContact O-N 2.96Å; S62-C66 PolarHBondContact O-SG 3.26Å; S62-C66 VanDerWaalsContact O-SG 3.4Å; V63-C66 WeakPolarHBondContact O-CB 3.33Å; V63-C66 PolarHBondContact O-N 3.28Å; C66-F68 VanDerWaalsContact C-N 3.33Å; C66-F68 PolarHBondContact O-N 2.76Å; C66-V69 PolarHBondContact O-N 3.47Å; C66-T70 WeakPolarHBondContact O-CB 3.39Å; C66-T70 VanDerWaalsContact O-CG2 3.3Å; C66-T70 WeakPolarHBondContact O-CG2 3.48Å; C66-T70 PolarHBondContact O-N 3.4Å; C66-T70 PolarHBondContact O-OG1 2.84Å
67A93.3Very high88.7Confident13 Ų1345.9 Ų45.911%0.10729%0.29CS..Hα-helixtrans-63.3-38.5177.500000112.4L31 L49 V63 L64 T70 G71L31-A67 HydrophobicContact CD2-CB 4.01Å; L49-A67 HydrophobicContact CD1-CB 4.35Å; L49-A67 HydrophobicContact CD2-CB 4.44Å; V63-A67 PolarHBondContact O-N 3.11Å; L64-A67 PolarHBondContact O-N 3.28Å; A67-T70 WeakPolarHBondContact CA-OG1 3.44Å; A67-T70 PolarHBondContact O-OG1 3.02Å; A67-G71 PolarHBondContact O-N 3.17Å
68F94.5Very high88Confident0 Ų046.6 Ų46.60%028%0.277CS..Hα-helixtrans-62.3-53.1175.2-179.8-103.8000110.6P42 F45 L46 L49 L64 G65 C66 T70 G71 L72 L91 L94 L95 A98P42-F68 HydrophobicContact CB-CE2 4.37Å; P42-F68 HydrophobicContact CB-CZ 4.13Å; F45-F68 AromaticContact CD1-CD2 3.66Å; F45-F68 HydrophobicContact CD1-CD2 3.66Å; F45-F68 AromaticContact CD1-CE2 3.67Å; F45-F68 HydrophobicContact CD1-CE2 3.67Å; F45-F68 AromaticContact CE1-CD2 3.59Å; F45-F68 HydrophobicContact CE1-CD2 3.59Å; F45-F68 HydrophobicContact CE1-CE2 4.01Å; F45-F68 HydrophobicContact CE1-CG 4.35Å; F45-F68 HydrophobicContact CZ-CD2 4.46Å; L46-F68 HydrophobicContact CB-CD2 4.03Å; L46-F68 HydrophobicContact CB-CE2 3.97Å; L46-F68 HydrophobicContact CD1-CB 4.14Å; L46-F68 HydrophobicContact CD1-CD2 3.72Å; L46-F68 HydrophobicContact CD1-CE2 4.35Å; L46-F68 HydrophobicContact CD1-CG 4.05Å; L46-F68 HydrophobicContact CG-CD2 4.45Å; L49-F68 HydrophobicContact CD1-CB 3.9Å; L49-F68 HydrophobicContact CD1-CD2 4.25Å; L64-F68 VanDerWaalsContact O-CB 3.29Å; L64-F68 WeakPolarHBondContact O-CB 3.32Å; L64-F68 PolarHBondContact O-N 3.42Å; G65-F68 PolarHBondContact O-N 2.91Å; C66-F68 VanDerWaalsContact C-N 3.33Å; C66-F68 PolarHBondContact O-N 2.76Å; F68-T70 PolarHBondContact O-N 3.31Å; F68-G71 PolarHBondContact O-N 2.96Å; F68-L72 HydrophobicContact CD1-CD1 4.21Å; F68-L72 HydrophobicContact CE1-CD1 3.86Å; F68-L72 HydrophobicContact CE1-CG 4.48Å; F68-L72 HydrophobicContact CE2-CD2 4.49Å; F68-L72 HydrophobicContact CZ-CD1 4.31Å; F68-L72 HydrophobicContact CZ-CD2 4.29Å; F68-L72 WeakPolarHBondContact O-CG 3.28Å; F68-L72 PolarHBondContact O-N 2.85Å; F68-L91 HydrophobicContact CB-CD1 4.47Å; F68-L94 HydrophobicContact CD1-CD2 3.63Å; F68-L94 HydrophobicContact CD1-CG 3.84Å; F68-L94 HydrophobicContact CE1-CD2 4.36Å; F68-L94 HydrophobicContact CE1-CG 4.07Å; F68-L95 HydrophobicContact CE2-CD1 4.29Å; F68-L95 HydrophobicContact CZ-CD1 3.95Å; F68-A98 HydrophobicContact CE1-CB 3.69Å; F68-A98 HydrophobicContact CZ-CB 3.72Å
69V91.4Very high87.2Confident5 Ų548.5 Ų48.53%0.0327%0.274CS..Hα-helixtrans-61.9-45.5178.9177.90000112.1G65 C66 G71 L72 Q77 L80 R81 M86 L94G65-V69 WeakPolarHBondContact O-CG2 3.4Å; G65-V69 PolarHBondContact O-N 3.31Å; C66-V69 PolarHBondContact O-N 3.47Å; V69-G71 PolarHBondContact O-N 3.27Å; V69-L72 PolarHBondContact O-N 3.18Å; V69-Q77 HydrophobicContact CG1-CB 4.02Å; V69-Q77 WeakPolarHBondContact O-CG 3.41Å; V69-L80 HydrophobicContact CG2-CD1 4.16Å; V69-R81 HydrophobicContact CG1-CG 4.48Å; V69-M86 HydrophobicContact CB-CE 4.3Å; V69-M86 HydrophobicContact CG2-CE 3.28Å; V69-M86 HydrophobicContact CG2-SD 4.32Å; V69-L94 HydrophobicContact CG2-CD1 3.78Å; V69-L94 HydrophobicContact CG2-CD2 3.61Å; V69-L94 HydrophobicContact CG2-CG 4.1Å
70T91.6Very high86.6Confident59 Ų5946.3 Ų46.336%0.36226%0.263SS..Hα-helixtrans-67.7-21.6179.956.40000112.9C66 A67 F68 Q77C66-T70 WeakPolarHBondContact O-CB 3.39Å; C66-T70 VanDerWaalsContact O-CG2 3.3Å; C66-T70 WeakPolarHBondContact O-CG2 3.48Å; C66-T70 PolarHBondContact O-N 3.4Å; C66-T70 PolarHBondContact O-OG1 2.84Å; A67-T70 WeakPolarHBondContact CA-OG1 3.44Å; A67-T70 PolarHBondContact O-OG1 3.02Å; F68-T70 PolarHBondContact O-N 3.31Å; T70-Q77 PolarHBondContact O-NE2 3.37Å
71G93.7Very high86Confident2 Ų248.8 Ų48.82%0.02126%0.263CS..Hα-helixtrans-85.5-12.9175.200000115.4R35 L36 A67 F68 V69R35-G71 CarbonylContact C-O 3.58Å; R35-G71 WeakPolarHBondContact CA-O 3.34Å; L36-G71 PolarHBondContact N-O 2.99Å; A67-G71 PolarHBondContact O-N 3.17Å; F68-G71 PolarHBondContact O-N 2.96Å; V69-G71 PolarHBondContact O-N 3.27Å
72L90.9Very high84.9Confident5 Ų548.5 Ų48.53%0.02628%0.277CS..SBendtrans-74.4162.4174.1-69.2175.6000111.8L36 F45 F68 V69 A76 Q77 L80 A98L36-L72 HydrophobicContact CB-CD2 4.36Å; L36-L72 HydrophobicContact CD2-CD2 3.78Å; F45-L72 HydrophobicContact CD1-CD2 4.31Å; F45-L72 HydrophobicContact CE1-CD2 4.21Å; F45-L72 HydrophobicContact CE1-CG 4.49Å; F68-L72 HydrophobicContact CD1-CD1 4.21Å; F68-L72 HydrophobicContact CE1-CD1 3.86Å; F68-L72 HydrophobicContact CE1-CG 4.48Å; F68-L72 HydrophobicContact CE2-CD2 4.49Å; F68-L72 HydrophobicContact CZ-CD1 4.31Å; F68-L72 HydrophobicContact CZ-CD2 4.29Å; F68-L72 WeakPolarHBondContact O-CG 3.28Å; F68-L72 PolarHBondContact O-N 2.85Å; V69-L72 PolarHBondContact O-N 3.18Å; L72-A76 HydrophobicContact CB-CB 4.22Å; L72-A76 HydrophobicContact CD1-CB 4.5Å; L72-Q77 HydrophobicContact CB-CG 4.43Å; L72-Q77 WeakPolarHBondContact O-CG 3.48Å; L72-Q77 PolarHBondContact O-NE2 3.48Å; L72-L80 HydrophobicContact CD1-CD1 3.46Å; L72-L80 VanDerWaalsContact CD1-CD1 3.46Å; L72-A98 HydrophobicContact CD1-CB 4.1Å
73P84.2Confident83.5Confident45 Ų4546.2 Ų46.229%0.29227%0.267SS..  trans-57.3144.3171.1-24.835.2000112.4H75 A76 Q77P73-H75 VanDerWaalsContact C-N 3.31Å; P73-H75 VanDerWaalsContact CB-CE1 3.49Å; P73-H75 WeakPolarHBondContact CB-CE1 3.43Å; P73-H75 PolarHBondContact O-N 3.12Å; P73-H75 VanDerWaalsContact O-N 3.11Å; P73-A76 WeakPolarHBondContact O-CA 3.43Å; P73-A76 WeakPolarHBondContact O-CB 3.41Å; P73-A76 PolarHBondContact O-N 3.46Å; P73-Q77 WeakPolarHBondContact O-CG 3.19Å; P73-Q77 PolarHBondContact O-N 3.18Å; P73-Q77 VanDerWaalsContact O-N 3.14Å
74E80.7Confident81.7Confident149 Ų14945.6 Ų45.670%0.69626%0.263SS*.Hα-helixtrans-46.6-47.7-170.8-164.7172.5-165.400113.9A76 Q77 D78E74-A76 VanDerWaalsContact C-N 3.33Å; E74-A76 PolarHBondContact O-N 2.94Å; E74-Q77 WeakPolarHBondContact O-CA 3.49Å; E74-Q77 VanDerWaalsContact O-CB 3.28Å; E74-Q77 WeakPolarHBondContact O-CB 3.41Å; E74-Q77 PolarHBondContact O-N 2.81Å; E74-D78 PolarHBondContact O-N 3.46Å
75H72.3Confident80.1Confident76 Ų7654.2 Ų54.235%0.35230%0.295SS..Hα-helixtrans-60.8-37.2178.571.9-83.7000114P73 Q77 M79 L147P73-H75 VanDerWaalsContact C-N 3.31Å; P73-H75 VanDerWaalsContact CB-CE1 3.49Å; P73-H75 WeakPolarHBondContact CB-CE1 3.43Å; P73-H75 PolarHBondContact O-N 3.12Å; P73-H75 VanDerWaalsContact O-N 3.11Å; H75-Q77 VanDerWaalsContact C-N 3.33Å; H75-M79 WeakPolarHBondContact O-CG 3.37Å; H75-M79 PolarHBondContact O-N 2.96Å; H75-M79 VanDerWaalsContact O-N 3.08Å; H75-L147 VanDerWaalsContact CE1-CD2 3.45Å; H75-L147 WeakPolarHBondContact CE1-CD2 3.34Å; H75-L147 WeakPolarHBondContact ND1-CD2 3.49Å
76A78.9Confident78.6Confident2 Ų256.5 Ų56.52%0.01730%0.304CS..Hα-helixtrans-72.7-33.1177.600000110.1L72 P73 E74 L80L72-A76 HydrophobicContact CB-CB 4.22Å; L72-A76 HydrophobicContact CD1-CB 4.5Å; P73-A76 WeakPolarHBondContact O-CA 3.43Å; P73-A76 WeakPolarHBondContact O-CB 3.41Å; P73-A76 PolarHBondContact O-N 3.46Å; E74-A76 VanDerWaalsContact C-N 3.33Å; E74-A76 PolarHBondContact O-N 2.94Å; A76-L80 WeakPolarHBondContact O-CB 3.3Å; A76-L80 VanDerWaalsContact O-CG 3.22Å; A76-L80 WeakPolarHBondContact O-CG 3.46Å; A76-L80 PolarHBondContact O-N 3.36Å
77Q85.3Confident77.4Confident30 Ų3057.1 Ų57.114%0.1432%0.315CS..Hα-helixtrans-60.9-49.7172.9-40.3-168.4200110.7V69 T70 L72 P73 E74 H75 M79 L80 R81V69-Q77 HydrophobicContact CG1-CB 4.02Å; V69-Q77 WeakPolarHBondContact O-CG 3.41Å; T70-Q77 PolarHBondContact O-NE2 3.37Å; L72-Q77 HydrophobicContact CB-CG 4.43Å; L72-Q77 WeakPolarHBondContact O-CG 3.48Å; L72-Q77 PolarHBondContact O-NE2 3.48Å; P73-Q77 WeakPolarHBondContact O-CG 3.19Å; P73-Q77 PolarHBondContact O-N 3.18Å; P73-Q77 VanDerWaalsContact O-N 3.14Å; E74-Q77 WeakPolarHBondContact O-CA 3.49Å; E74-Q77 VanDerWaalsContact O-CB 3.28Å; E74-Q77 WeakPolarHBondContact O-CB 3.41Å; E74-Q77 PolarHBondContact O-N 2.81Å; H75-Q77 VanDerWaalsContact C-N 3.33Å; Q77-M79 PolarHBondContact O-N 2.92Å; Q77-L80 PolarHBondContact O-N 2.97Å; Q77-R81 WeakPolarHBondContact O-CB 3.41Å; Q77-R81 VanDerWaalsContact O-CG 3.28Å; Q77-R81 WeakPolarHBondContact O-CG 3.31Å; Q77-R81 PolarHBondContact O-N 3.41Å
78D75.2Confident76.5Confident85 Ų8561.5 Ų61.546%0.45534%0.336SS..Hα-helixtrans-63.4-42.5-178.1-67.3-21.1000111.6E74 L80 R81 A82E74-D78 PolarHBondContact O-N 3.46Å; D78-L80 VanDerWaalsContact C-N 3.35Å; D78-L80 PolarHBondContact O-N 3.41Å; D78-R81 PolarHBondContact O-N 2.94Å; D78-R81 IonicContact OD1-NH1 3.77Å; D78-A82 WeakPolarHBondContact O-CB 3.47Å; D78-A82 PolarHBondContact O-N 3.47Å
79M72.8Confident75.7Confident91 Ų9163.6 Ų63.645%0.44835%0.348SS..Hα-helixtrans-65.1-35.9176.6-79.6-123.2-89.300113.5H75 Q77 G83 L101H75-M79 WeakPolarHBondContact O-CG 3.37Å; H75-M79 PolarHBondContact O-N 2.96Å; H75-M79 VanDerWaalsContact O-N 3.08Å; Q77-M79 PolarHBondContact O-N 2.92Å; M79-G83 PolarHBondContact O-N 3.02Å; M79-L101 HydrophobicContact CB-CD1 4Å; M79-L101 HydrophobicContact CB-CD2 4.47Å; M79-L101 HydrophobicContact CE-CD2 3.36Å; M79-L101 HydrophobicContact SD-CD2 4.19Å
80L78.8Confident75.6Confident1 Ų166.9 Ų66.91%0.00537%0.368CS..Hα-helixtrans-72.1-41175.1-69.7174.1000111.2V69 L72 A76 Q77 D78 M86 L94 R97 L101V69-L80 HydrophobicContact CG2-CD1 4.16Å; L72-L80 HydrophobicContact CD1-CD1 3.46Å; L72-L80 VanDerWaalsContact CD1-CD1 3.46Å; A76-L80 WeakPolarHBondContact O-CB 3.3Å; A76-L80 VanDerWaalsContact O-CG 3.22Å; A76-L80 WeakPolarHBondContact O-CG 3.46Å; A76-L80 PolarHBondContact O-N 3.36Å; Q77-L80 PolarHBondContact O-N 2.97Å; D78-L80 VanDerWaalsContact C-N 3.35Å; D78-L80 PolarHBondContact O-N 3.41Å; L80-M86 HydrophobicContact CB-SD 4.41Å; L80-L94 HydrophobicContact CB-CD1 4.45Å; L80-L94 HydrophobicContact CD1-CD1 4.03Å; L80-L94 HydrophobicContact CD2-CD1 4.12Å; L80-L94 HydrophobicContact CG-CD1 4.43Å; L80-R97 HydrophobicContact CD2-CB 3.84Å; L80-R97 HydrophobicContact CD2-CG 3.61Å; L80-L101 HydrophobicContact CD2-CD1 3.67Å; L80-L101 HydrophobicContact CG-CD1 3.78Å
81R78.3Confident75.5Confident113 Ų11364.3 Ų64.343%0.42635%0.352SS..Hα-helixtrans-68.2-38.2177.4-72.1177.2-169.3131.13.7113.4V69 Q77 D78 G83V69-R81 HydrophobicContact CG1-CG 4.48Å; Q77-R81 WeakPolarHBondContact O-CB 3.41Å; Q77-R81 VanDerWaalsContact O-CG 3.28Å; Q77-R81 WeakPolarHBondContact O-CG 3.31Å; Q77-R81 PolarHBondContact O-N 3.41Å; D78-R81 PolarHBondContact O-N 2.94Å; D78-R81 IonicContact OD1-NH1 3.77Å; R81-G83 VanDerWaalsContact C-N 3.35Å
82A67.9Low75.3Confident89 Ų8970.8 Ų70.874%0.73638%0.381SS*.Hα-helixtrans-76-22.7-176.900000113.3D78D78-A82 WeakPolarHBondContact O-CB 3.47Å; D78-A82 PolarHBondContact O-N 3.47Å
83G56.7Low75.2Confident38 Ų3875.2 Ų75.239%0.39240%0.402SS..Hα-helixtrans-82.1-31.5-167.200000115.9M79 R81M79-G83 PolarHBondContact O-N 3.02Å; R81-G83 VanDerWaalsContact C-N 3.35Å
84V54.7Low75.4Confident56 Ų5673.2 Ų73.234%0.33939%0.389SS..SBendtrans-161.1155.4-171.9-177.30000108.4M86 L89V84-M86 PolarHBondContact O-N 3.33Å; V84-L89 HydrophobicContact CB-CD1 4.16Å; V84-L89 HydrophobicContact CB-CG 4.48Å; V84-L89 HydrophobicContact CG1-CD1 4.39Å; V84-L89 HydrophobicContact CG1-CD2 4.35Å; V84-L89 HydrophobicContact CG1-CG 4.17Å
85R59.1Low75.9Confident190 Ų19066.9 Ų66.972%0.71736%0.36SS*.  trans-60.6109.9165.9-61.8-177.582.6-163.85.5108A87 D88R85-A87 PolarHBondContact O-N 2.91Å; R85-D88 PolarHBondContact O-N 2.93Å
86M59.9Low76.6Confident57 Ų5767.9 Ų67.928%0.28137%0.365SS..G310 helixtrans-50.4-25.5-179.7-76.2-66.2-56.900113.9V69 L80 V84 D88 L94V69-M86 HydrophobicContact CB-CE 4.3Å; V69-M86 HydrophobicContact CG2-CE 3.28Å; V69-M86 HydrophobicContact CG2-SD 4.32Å; L80-M86 HydrophobicContact CB-SD 4.41Å; V84-M86 PolarHBondContact O-N 3.33Å; M86-D88 PolarHBondContact O-N 3.23Å; M86-L94 HydrophobicContact CE-CD1 3.69Å; M86-L94 HydrophobicContact CE-CD2 4.11Å; M86-L94 HydrophobicContact SD-CD1 4.1Å
87A65.7Low76.8Confident93 Ų9372.5 Ų72.577%0.76938%0.381SS*.G310 helixtrans-64.3-22.2176.500000114.3R85R85-A87 PolarHBondContact O-N 2.91Å
88D74.4Confident76.7Confident105 Ų10571.1 Ų71.156%0.56138%0.376SS*.G310 helixtrans-95.2-7.2-174-57.4-26.4000112.8R85 M86R85-D88 PolarHBondContact O-N 2.93Å; M86-D88 PolarHBondContact O-N 3.23Å
89L78.1Confident77.1Confident45 Ų4571.3 Ų71.324%0.23637%0.37CS..  trans-97.8131-176.1-66.1174.9000111.2V84 Q93V84-L89 HydrophobicContact CB-CD1 4.16Å; V84-L89 HydrophobicContact CB-CG 4.48Å; V84-L89 HydrophobicContact CG1-CD1 4.39Å; V84-L89 HydrophobicContact CG1-CD2 4.35Å; V84-L89 HydrophobicContact CG1-CG 4.17Å; L89-Q93 HydrophobicContact CD2-CB 4.2Å
90T88.9Confident77.3Confident74 Ų7470 Ų7045%0.45437%0.37SS..  trans-70.5158167.670.60000110.3E92 Q93 L94T90-E92 PolarHBondContact O-N 3.19Å; T90-Q93 PolarHBondContact O-N 3.37Å; T90-Q93 VanDerWaalsContact O-N 3.11Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.14Å; T90-Q93 PolarHBondContact OG1-N 2.98Å; T90-L94 PolarHBondContact O-N 3.37Å
91L88.8Confident77Confident4 Ų471.6 Ų71.62%0.02138%0.378CS..Hα-helixtrans-59.3-32.6178.4-165.856.9000112.3L46 E61 L64 G65 F68 L94 L95L46-L91 HydrophobicContact CD1-CD1 3.71Å; L46-L91 HydrophobicContact CD1-CD2 3.88Å; L46-L91 HydrophobicContact CD1-CG 3.8Å; L46-L91 HydrophobicContact CD2-CD2 4.41Å; L46-L91 HydrophobicContact CD2-CG 4.02Å; L46-L91 HydrophobicContact CG-CG 4.46Å; E61-L91 WeakPolarHBondContact OE2-CB 3.29Å; E61-L91 WeakPolarHBondContact OE2-CD2 3.3Å; L64-L91 HydrophobicContact CB-CD1 4.48Å; L64-L91 HydrophobicContact CB-CD2 3.92Å; L64-L91 HydrophobicContact CD1-CD2 4.35Å; G65-L91 VanDerWaalsContact CA-CD1 3.44Å; F68-L91 HydrophobicContact CB-CD1 4.47Å; L91-L94 HydrophobicContact CD1-CD2 4.32Å; L91-L94 PolarHBondContact O-N 2.74Å; L91-L95 WeakPolarHBondContact O-CB 3.4Å; L91-L95 PolarHBondContact O-N 2.94Å
92E90.4Very high76.7Confident138 Ų13869.6 Ų69.665%0.64537%0.374SS*.Hα-helixtrans-68.8-43.1174.7-67.4-177.916800112.6T90 L94 L95 E96T90-E92 PolarHBondContact O-N 3.19Å; E92-L94 VanDerWaalsContact C-N 3.26Å; E92-L94 PolarHBondContact O-N 2.74Å; E92-L95 WeakPolarHBondContact O-CB 3.48Å; E92-L95 PolarHBondContact O-N 2.79Å; E92-E96 PolarHBondContact O-N 2.71Å
93Q89Confident76.7Confident98 Ų9871.4 Ų71.446%0.45836%0.362SS..Hα-helixtrans-63.7-36.9175.2-71.1170.1-1700111.4L89 T90 E96 R97L89-Q93 HydrophobicContact CD2-CB 4.2Å; T90-Q93 PolarHBondContact O-N 3.37Å; T90-Q93 VanDerWaalsContact O-N 3.11Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.14Å; T90-Q93 PolarHBondContact OG1-N 2.98Å; Q93-E96 PolarHBondContact O-N 2.99Å; Q93-R97 WeakPolarHBondContact O-CB 3.36Å; Q93-R97 PolarHBondContact O-N 3.43Å
94L88Confident77Confident4 Ų475 Ų752%0.02136%0.364CS..Hα-helixtrans-66-43.1175.9-170.367.4000111.6F68 V69 L80 M86 T90 L91 E92 R97 A98F68-L94 HydrophobicContact CD1-CD2 3.63Å; F68-L94 HydrophobicContact CD1-CG 3.84Å; F68-L94 HydrophobicContact CE1-CD2 4.36Å; F68-L94 HydrophobicContact CE1-CG 4.07Å; V69-L94 HydrophobicContact CG2-CD1 3.78Å; V69-L94 HydrophobicContact CG2-CD2 3.61Å; V69-L94 HydrophobicContact CG2-CG 4.1Å; L80-L94 HydrophobicContact CB-CD1 4.45Å; L80-L94 HydrophobicContact CD1-CD1 4.03Å; L80-L94 HydrophobicContact CD2-CD1 4.12Å; L80-L94 HydrophobicContact CG-CD1 4.43Å; M86-L94 HydrophobicContact CE-CD1 3.69Å; M86-L94 HydrophobicContact CE-CD2 4.11Å; M86-L94 HydrophobicContact SD-CD1 4.1Å; T90-L94 PolarHBondContact O-N 3.37Å; L91-L94 HydrophobicContact CD1-CD2 4.32Å; L91-L94 PolarHBondContact O-N 2.74Å; E92-L94 VanDerWaalsContact C-N 3.26Å; E92-L94 PolarHBondContact O-N 2.74Å; L94-R97 PolarHBondContact O-N 3.43Å; L94-A98 WeakPolarHBondContact O-CB 3.45Å; L94-A98 PolarHBondContact O-N 2.84Å
95L90.5Very high77.3Confident16 Ų1674.9 Ų74.98%0.08436%0.363CS..Hα-helixtrans-60.1-47.7173.517965.2000111.4P42 L46 F68 L91 E92 R97 A98 R99P42-L95 HydrophobicContact CB-CD1 3.73Å; L46-L95 HydrophobicContact CB-CD1 4.48Å; L46-L95 HydrophobicContact CD2-CB 4.16Å; L46-L95 HydrophobicContact CD2-CD1 4.26Å; L46-L95 HydrophobicContact CD2-CD2 3.92Å; L46-L95 HydrophobicContact CD2-CG 4.34Å; F68-L95 HydrophobicContact CE2-CD1 4.29Å; F68-L95 HydrophobicContact CZ-CD1 3.95Å; L91-L95 WeakPolarHBondContact O-CB 3.4Å; L91-L95 PolarHBondContact O-N 2.94Å; E92-L95 WeakPolarHBondContact O-CB 3.48Å; E92-L95 PolarHBondContact O-N 2.79Å; L95-R97 VanDerWaalsContact C-N 3.28Å; L95-R97 PolarHBondContact O-N 3.29Å; L95-A98 CarbonylContact O-C 3.59Å; L95-A98 WeakPolarHBondContact O-CB 3.11Å; L95-A98 PolarHBondContact O-N 3.29Å; L95-A98 VanDerWaalsContact O-N 3.12Å; L95-R99 WeakPolarHBondContact O-CG 3.49Å; L95-R99 PolarHBondContact O-N 3.27Å
96E87.4Confident77.4Confident97 Ų9771.1 Ų71.145%0.45336%0.358SS..Hα-helixtrans-62.3-38.4-179.5-174.356.1-154.200111.9E92 Q93 R99 S100E92-E96 PolarHBondContact O-N 2.71Å; Q93-E96 PolarHBondContact O-N 2.99Å; E96-R99 PolarHBondContact O-N 2.86Å; E96-R99 IonicContact OE2-CZ 2.65Å; E96-R99 IonicContact OE2-NH1 3.16Å; E96-R99 PolarHBondContact OE2-NH1 3.24Å; E96-S100 WeakPolarHBondContact O-CB 3.47Å; E96-S100 PolarHBondContact O-N 2.83Å; E96-S100 PolarHBondContact O-OG 3.47Å
97R82.1Confident77.5Confident98 Ų9869 Ų6937%0.3735%0.347SS..Hα-helixtrans-68.7-40.7174.6-160.4168179.3111.6-5.7111.6L80 Q93 L94 L95 S100 L101L80-R97 HydrophobicContact CD2-CB 3.84Å; L80-R97 HydrophobicContact CD2-CG 3.61Å; Q93-R97 WeakPolarHBondContact O-CB 3.36Å; Q93-R97 PolarHBondContact O-N 3.43Å; L94-R97 PolarHBondContact O-N 3.43Å; L95-R97 VanDerWaalsContact C-N 3.28Å; L95-R97 PolarHBondContact O-N 3.29Å; R97-S100 WeakPolarHBondContact O-CB 3.41Å; R97-S100 PolarHBondContact O-N 3.37Å; R97-L101 WeakPolarHBondContact O-CB 3.48Å; R97-L101 VanDerWaalsContact O-CG 3.25Å; R97-L101 WeakPolarHBondContact O-CG 3.28Å; R97-L101 PolarHBondContact O-N 3.11Å
98A84.2Confident77.2Confident2 Ų265 Ų652%0.01732%0.315CS..Hα-helixtrans-63.1-41.317400000112.2F68 L72 L94 L95 S100 L101 M102F68-A98 HydrophobicContact CE1-CB 3.69Å; F68-A98 HydrophobicContact CZ-CB 3.72Å; L72-A98 HydrophobicContact CD1-CB 4.1Å; L94-A98 WeakPolarHBondContact O-CB 3.45Å; L94-A98 PolarHBondContact O-N 2.84Å; L95-A98 CarbonylContact O-C 3.59Å; L95-A98 WeakPolarHBondContact O-CB 3.11Å; L95-A98 PolarHBondContact O-N 3.29Å; L95-A98 VanDerWaalsContact O-N 3.12Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 3.28Å; A98-L101 PolarHBondContact O-N 3.14Å; A98-M102 WeakPolarHBondContact O-CB 3.49Å; A98-M102 VanDerWaalsContact O-CG 3.31Å; A98-M102 WeakPolarHBondContact O-CG 3.08Å; A98-M102 PolarHBondContact O-N 2.87Å
99R84.3Confident76.5Confident88 Ų8862.6 Ų62.633%0.33230%0.302SS..Hα-helixtrans-57.3-48.7172.1-70.7179.6-169152.2-2.6110.9D43 L95 E96 L101 M102 R103D43-R99 IonicContact OD1-CZ 3.58Å; D43-R99 VanDerWaalsContact OD1-CZ 3.3Å; D43-R99 IonicContact OD1-NE 2.89Å; D43-R99 PolarHBondContact OD1-NE 3.43Å; D43-R99 IonicContact OD1-NH2 3.51Å; D43-R99 PolarHBondContact OD1-NH2 2.79Å; D43-R99 IonicContact OD2-NE 3.74Å; D43-R99 PolarHBondContact OD2-NE 3.05Å; L95-R99 WeakPolarHBondContact O-CG 3.49Å; L95-R99 PolarHBondContact O-N 3.27Å; E96-R99 PolarHBondContact O-N 2.86Å; E96-R99 IonicContact OE2-CZ 2.65Å; E96-R99 IonicContact OE2-NH1 3.16Å; E96-R99 PolarHBondContact OE2-NH1 3.24Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 2.89Å; R99-M102 PolarHBondContact O-N 2.99Å; R99-R103 WeakPolarHBondContact O-CB 3.13Å; R99-R103 VanDerWaalsContact O-CG 3.3Å; R99-R103 WeakPolarHBondContact O-CG 3.06Å; R99-R103 PolarHBondContact O-N 3.06Å
100S76.2Confident75.7Confident65 Ų6563 Ų6346%0.45531%0.308SS..Hα-helixtrans-60.9-40.9178.5-62.50000112.2E96 R97 A98 W104E96-S100 WeakPolarHBondContact O-CB 3.47Å; E96-S100 PolarHBondContact O-N 2.83Å; E96-S100 PolarHBondContact O-OG 3.47Å; R97-S100 WeakPolarHBondContact O-CB 3.41Å; R97-S100 PolarHBondContact O-N 3.37Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 3.28Å; S100-W104 PolarHBondContact O-N 3.47Å
101L72.9Confident74.2Confident34 Ų3462.2 Ų62.218%0.17832%0.315CS..Hα-helixtrans-69.6-45.2178.2-74.7-179.5000112.6M79 L80 R97 A98 R99 R103 W104M79-L101 HydrophobicContact CB-CD1 4Å; M79-L101 HydrophobicContact CB-CD2 4.47Å; M79-L101 HydrophobicContact CE-CD2 3.36Å; M79-L101 HydrophobicContact SD-CD2 4.19Å; L80-L101 HydrophobicContact CD2-CD1 3.67Å; L80-L101 HydrophobicContact CG-CD1 3.78Å; R97-L101 WeakPolarHBondContact O-CB 3.48Å; R97-L101 VanDerWaalsContact O-CG 3.25Å; R97-L101 WeakPolarHBondContact O-CG 3.28Å; R97-L101 PolarHBondContact O-N 3.11Å; A98-L101 PolarHBondContact O-N 3.14Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 2.89Å; L101-R103 VanDerWaalsContact C-N 3.34Å; L101-W104 WeakPolarHBondContact O-CB 3.25Å; L101-W104 PolarHBondContact O-N 3.09Å
102M71.7Confident72.7Confident70 Ų7072.1 Ų72.135%0.34535%0.353SS..Hα-helixtrans-71.3-31.7-178.2-68.8-60.1-6300112L36 P42 A98 R99 W104L36-M102 HydrophobicContact CD2-CE 4.31Å; P42-M102 HydrophobicContact CG-CG 4.31Å; A98-M102 WeakPolarHBondContact O-CB 3.49Å; A98-M102 VanDerWaalsContact O-CG 3.31Å; A98-M102 WeakPolarHBondContact O-CG 3.08Å; A98-M102 PolarHBondContact O-N 2.87Å; R99-M102 PolarHBondContact O-N 2.99Å; M102-W104 VanDerWaalsContact C-N 3.26Å; M102-W104 PolarHBondContact O-N 3.04Å
103R68.7Low70.9Confident128 Ų12868.5 Ų68.548%0.48334%0.34SS..THydrogen-bonded Turntrans-76.4-10.9172.8-66.7-17974.7-91.2-16.8113.3R99 L101 V105 D106 D107R99-R103 WeakPolarHBondContact O-CB 3.13Å; R99-R103 VanDerWaalsContact O-CG 3.3Å; R99-R103 WeakPolarHBondContact O-CG 3.06Å; R99-R103 PolarHBondContact O-N 3.06Å; L101-R103 VanDerWaalsContact C-N 3.34Å; R103-V105 VanDerWaalsContact C-N 3.34Å; R103-V105 PolarHBondContact O-N 2.9Å; R103-D106 PolarHBondContact O-N 3.46Å; R103-D107 IonicContact CZ-OD1 3.49Å; R103-D107 VanDerWaalsContact CZ-OD1 3.3Å; R103-D107 IonicContact CZ-OD2 3.84Å; R103-D107 IonicContact NH1-OD1 3.22Å; R103-D107 PolarHBondContact NH1-OD1 3.32Å; R103-D107 IonicContact NH1-OD2 2.66Å; R103-D107 PolarHBondContact NH1-OD2 2.96Å; R103-D107 IonicContact NH2-OD1 3.3Å; R103-D107 PolarHBondContact NH2-OD1 3.16Å; R103-D107 IonicContact NH2-OD2 3.03Å; R103-D107 WeakPolarHBondContact O-CB 3.48Å; R103-D107 VanDerWaalsContact O-CG 3.3Å; R103-D107 PolarHBondContact O-N 2.86Å
104W62.7Low69.3Low114 Ų11472.5 Ų72.543%0.43235%0.351SS..Hα-helixtrans-57.1-40.9-172.3177.571.1000114S100 L101 M102 G108 L115S100-W104 PolarHBondContact O-N 3.47Å; L101-W104 WeakPolarHBondContact O-CB 3.25Å; L101-W104 PolarHBondContact O-N 3.09Å; M102-W104 VanDerWaalsContact C-N 3.26Å; M102-W104 PolarHBondContact O-N 3.04Å; W104-G108 PolarHBondContact O-N 2.85Å; W104-L115 HydrophobicContact CZ2-CD2 4.33Å
105V59.5Low67.8Low53 Ų5373.2 Ų73.232%0.32136%0.355SS..Hα-helixtrans-69.9-52.2-178.51790000110.3R103 D107 G108 L109 V145R103-V105 VanDerWaalsContact C-N 3.34Å; R103-V105 PolarHBondContact O-N 2.9Å; V105-D107 VanDerWaalsContact C-N 3.32Å; V105-D107 PolarHBondContact O-N 3.17Å; V105-G108 PolarHBondContact O-N 3.08Å; V105-L109 HydrophobicContact CG1-CD1 3.8Å; V105-L109 WeakPolarHBondContact O-CB 3.28Å; V105-L109 VanDerWaalsContact O-CG 3.23Å; V105-L109 WeakPolarHBondContact O-CG 3.23Å; V105-L109 PolarHBondContact O-N 3.46Å; V105-V145 HydrophobicContact CG1-CB 4.01Å; V105-V145 HydrophobicContact CG1-CG1 3.63Å
106D61.9Low66.1Low111 Ų11182.9 Ų82.959%0.59439%0.39SS*.Hα-helixtrans-63.4-39.8-179.9-66.3-28.1000112R103 S110R103-D106 PolarHBondContact O-N 3.46Å; D106-S110 WeakPolarHBondContact O-CB 3.05Å; D106-S110 PolarHBondContact O-N 3.01Å; D106-S110 PolarHBondContact O-OG 3.45Å
107D62.7Low64.6Low11 Ų1179.6 Ų79.66%0.05938%0.376CS..Hα-helixtrans-67.7-44.1176.9-83.7-5000112.3R103 V105 L109 S110 G111 T113R103-D107 IonicContact CZ-OD1 3.49Å; R103-D107 VanDerWaalsContact CZ-OD1 3.3Å; R103-D107 IonicContact CZ-OD2 3.84Å; R103-D107 IonicContact NH1-OD1 3.22Å; R103-D107 PolarHBondContact NH1-OD1 3.32Å; R103-D107 IonicContact NH1-OD2 2.66Å; R103-D107 PolarHBondContact NH1-OD2 2.96Å; R103-D107 IonicContact NH2-OD1 3.3Å; R103-D107 PolarHBondContact NH2-OD1 3.16Å; R103-D107 IonicContact NH2-OD2 3.03Å; R103-D107 WeakPolarHBondContact O-CB 3.48Å; R103-D107 VanDerWaalsContact O-CG 3.3Å; R103-D107 PolarHBondContact O-N 2.86Å; V105-D107 VanDerWaalsContact C-N 3.32Å; V105-D107 PolarHBondContact O-N 3.17Å; D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 3.42Å; D107-S110 WeakPolarHBondContact CA-OG 3.34Å; D107-S110 PolarHBondContact O-N 3.34Å; D107-S110 PolarHBondContact O-OG 3.34Å; D107-G111 PolarHBondContact O-N 3.25Å; D107-G111 VanDerWaalsContact O-N 3.09Å; D107-T113 HydrophobicContact CB-CG2 4.16Å; D107-T113 WeakPolarHBondContact CB-OG1 3.22Å; D107-T113 VanDerWaalsContact CG-CG2 3.44Å; D107-T113 WeakPolarHBondContact OD2-CG2 3.4Å; D107-T113 PolarHBondContact OD2-OG1 3.16Å
108G59Low63.2Low10 Ų1085.3 Ų85.310%0.10340%0.404CS..Hα-helixtrans-63.2-36.8178.400000112.3W104 V105 V129W104-G108 PolarHBondContact O-N 2.85Å; V105-G108 PolarHBondContact O-N 3.08Å; G108-V129 VanDerWaalsContact O-CG1 3.32Å; G108-V129 WeakPolarHBondContact O-CG1 3.4Å
109L59.4Low61.7Low54 Ų5487.5 Ų87.528%0.28342%0.422SS..Hα-helixtrans-80.5-37.1176.8-65.8168.4000113V105 D107 G111 L133 V145V105-L109 HydrophobicContact CG1-CD1 3.8Å; V105-L109 WeakPolarHBondContact O-CB 3.28Å; V105-L109 VanDerWaalsContact O-CG 3.23Å; V105-L109 WeakPolarHBondContact O-CG 3.23Å; V105-L109 PolarHBondContact O-N 3.46Å; D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 3.42Å; L109-G111 PolarHBondContact O-N 2.81Å; L109-L133 HydrophobicContact CD2-CD2 4.39Å; L109-L133 WeakPolarHBondContact O-CD1 3.16Å; L109-L133 WeakPolarHBondContact O-CD2 3.45Å; L109-V145 HydrophobicContact CD1-CB 3.97Å; L109-V145 HydrophobicContact CD1-CG2 3.42Å; L109-V145 VanDerWaalsContact CD1-CG2 3.42Å; L109-V145 HydrophobicContact CD2-CG2 4.27Å; L109-V145 HydrophobicContact CG-CG2 4.45Å
110S61.5Low60.2Low53 Ų5388.5 Ų88.537%0.37145%0.449SS..Hα-helixtrans-74.2-13.8179.664.90000113D106 D107 R112D106-S110 WeakPolarHBondContact O-CB 3.05Å; D106-S110 PolarHBondContact O-N 3.01Å; D106-S110 PolarHBondContact O-OG 3.45Å; D107-S110 WeakPolarHBondContact CA-OG 3.34Å; D107-S110 PolarHBondContact O-N 3.34Å; D107-S110 PolarHBondContact O-OG 3.34Å; S110-R112 PolarHBondContact O-N 3.45Å; S110-R112 VanDerWaalsContact O-N 3.16Å; S110-R112 WeakPolarHBondContact OG-CG 3.23Å; S110-R112 PolarHBondContact OG-N 2.97Å
111G57.5Low59.2Low58 Ų5890.1 Ų90.160%0.59845%0.453SS*.THydrogen-bonded Turntrans684.5-17400000113.5D107 L109D107-G111 PolarHBondContact O-N 3.25Å; D107-G111 VanDerWaalsContact O-N 3.09Å; L109-G111 PolarHBondContact O-N 2.81Å
112R56.4Low58.7Low213 Ų21391 Ų9180%0.80446%0.456SS*.  trans-77.6-26.2-172.7-64.7-176.5-154.2-176.29.5113.4S110S110-R112 PolarHBondContact O-N 3.45Å; S110-R112 VanDerWaalsContact O-N 3.16Å; S110-R112 WeakPolarHBondContact OG-CG 3.23Å; S110-R112 PolarHBondContact OG-N 2.97Å
113T52.6Low58.6Low62 Ų6295 Ų9538%0.3848%0.476SS..SBendtrans-126.1148.8176.285.40000113.1D107 L115D107-T113 HydrophobicContact CB-CG2 4.16Å; D107-T113 WeakPolarHBondContact CB-OG1 3.22Å; D107-T113 VanDerWaalsContact CG-CG2 3.44Å; D107-T113 WeakPolarHBondContact OD2-CG2 3.4Å; D107-T113 PolarHBondContact OD2-OG1 3.16Å; T113-L115 PolarHBondContact O-N 3.32Å; T113-L115 VanDerWaalsContact O-N 3.16Å
114R56Low58.5Low181 Ų18193 Ų9368%0.68347%0.474SS*.  trans-70.9109.3-178-173.8172.6174.2-170.6-1.5109R116R114-R116 PolarHBondContact O-N 3.42Å
115L56.6Low58.6Low20 Ų2090.6 Ų90.611%0.10547%0.469CS..  trans-50.5108169.6-76.4153.2000109.7W104 T113 R126 V129W104-L115 HydrophobicContact CZ2-CD2 4.33Å; T113-L115 PolarHBondContact O-N 3.32Å; T113-L115 VanDerWaalsContact O-N 3.16Å; L115-R126 HydrophobicContact CD1-CG 4.49Å; L115-R126 PolarHBondContact O-NH2 3Å; L115-V129 HydrophobicContact CD1-CB 4.48Å; L115-V129 HydrophobicContact CD1-CG1 4.37Å; L115-V129 HydrophobicContact CD1-CG2 4.28Å
116R55.2Low59.1Low219 Ų21990.9 Ų90.983%0.82646%0.464SS*.  trans-97.391.5175.6-70.9-161.7179.7-1601.8109.5R114R114-R116 PolarHBondContact O-N 3.42Å
117T56Low59.4Low27 Ų2792.4 Ų92.417%0.16646%0.462CS..  trans-108123.3170.162.40000108.4A119 E122 I125T117-A119 PolarHBondContact O-N 2.59Å; T117-E122 WeakPolarHBondContact OG1-CA 3.45Å; T117-E122 VanDerWaalsContact OG1-CB 3.24Å; T117-E122 WeakPolarHBondContact OG1-CB 3.32Å; T117-E122 WeakPolarHBondContact OG1-CG 3.49Å; T117-I125 HydrophobicContact CG2-CD1 4.25Å
118K52.4Low59.9Low219 Ų21999.7 Ų99.795%0.95249%0.488SS*.  trans-69.515.7178.2-72.8-168.4174.6-174.10114.4
119A52.6Low60.6Low48 Ų48100.8 Ų100.840%0.39749%0.493SS..SBendtrans-95.4146.3-17000000111.3T117 N121 E122T117-A119 PolarHBondContact O-N 2.59Å; A119-N121 PolarHBondContact O-N 2.79Å; A119-E122 WeakPolarHBondContact O-CB 3.26Å; A119-E122 PolarHBondContact O-N 2.98Å
120A52.6Low61.4Low109 Ų109104.1 Ų104.190%0.90151%0.507SS*.THydrogen-bonded Turntrans-51.8-19.5168.500000113.3
121N55.8Low62.2Low98 Ų98105.8 Ų105.852%0.52451%0.511SS..THydrogen-bonded Turntrans-968-178.7-57.7-23000113.9A119 M123 L124 I125A119-N121 PolarHBondContact O-N 2.79Å; N121-M123 VanDerWaalsContact C-N 3.31Å; N121-M123 PolarHBondContact O-N 3.44Å; N121-L124 WeakPolarHBondContact O-CA 3.38Å; N121-L124 VanDerWaalsContact O-CB 3.32Å; N121-L124 WeakPolarHBondContact O-CB 3.37Å; N121-L124 PolarHBondContact O-N 3.23Å; N121-I125 WeakPolarHBondContact O-CG1 3.41Å; N121-I125 PolarHBondContact O-N 2.84Å
122E62.1Low63.2Low52 Ų52107.2 Ų107.224%0.24350%0.504CS..Hα-helixtrans-51.5-47.4-178.4178.6-178.315600112.5T117 A119 L124 I125 R126T117-E122 WeakPolarHBondContact OG1-CA 3.45Å; T117-E122 VanDerWaalsContact OG1-CB 3.24Å; T117-E122 WeakPolarHBondContact OG1-CB 3.32Å; T117-E122 WeakPolarHBondContact OG1-CG 3.49Å; A119-E122 WeakPolarHBondContact O-CB 3.26Å; A119-E122 PolarHBondContact O-N 2.98Å; E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 PolarHBondContact O-N 2.89Å; E122-I125 PolarHBondContact O-N 3.37Å; E122-R126 PolarHBondContact O-N 3.3Å; E122-R126 IonicContact OE1-CZ 3.3Å; E122-R126 IonicContact OE1-NH1 2.63Å; E122-R126 PolarHBondContact OE1-NH1 3.48Å; E122-R126 IonicContact OE1-NH2 3.75Å; E122-R126 PolarHBondContact OE1-NH2 2.84Å
123M68.7Low64.2Low155 Ų15599.3 Ų99.376%0.76448%0.477SS*.Hα-helixtrans-61.4-37.4179.5-168.8-177.276.800112N121 R126 R127N121-M123 VanDerWaalsContact C-N 3.31Å; N121-M123 PolarHBondContact O-N 3.44Å; M123-R126 PolarHBondContact O-N 2.96Å; M123-R127 PolarHBondContact O-N 3.05Å
124L66.4Low65.6Low87 Ų8799 Ų9946%0.45548%0.481SS..Hα-helixtrans-69.7-40.5178.9-115.1153.1000111.6N121 E122 R128N121-L124 WeakPolarHBondContact O-CA 3.38Å; N121-L124 VanDerWaalsContact O-CB 3.32Å; N121-L124 WeakPolarHBondContact O-CB 3.37Å; N121-L124 PolarHBondContact O-N 3.23Å; E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 PolarHBondContact O-N 2.89Å; L124-R128 WeakPolarHBondContact O-CB 3.15Å; L124-R128 VanDerWaalsContact O-CG 3.28Å; L124-R128 WeakPolarHBondContact O-CG 3.35Å; L124-R128 PolarHBondContact O-N 3.42Å; L124-R128 VanDerWaalsContact O-N 3.09Å
125I66.2Low66.8Low62 Ų6294 Ų9432%0.31847%0.467SS..Hα-helixtrans-62.3-47.6174.9-64.5168.2000109.5T117 N121 E122 R128 V129T117-I125 HydrophobicContact CG2-CD1 4.25Å; N121-I125 WeakPolarHBondContact O-CG1 3.41Å; N121-I125 PolarHBondContact O-N 2.84Å; E122-I125 PolarHBondContact O-N 3.37Å; I125-R128 PolarHBondContact O-N 3.33Å; I125-V129 HydrophobicContact CG2-CG2 4.38Å; I125-V129 WeakPolarHBondContact O-CG2 3.46Å; I125-V129 PolarHBondContact O-N 3.36Å
126R68.9Low67.9Low60 Ų6093.7 Ų93.723%0.22647%0.468CS..Hα-helixtrans-57.9-52.1177.7-75.5-170.3178.9133.59.4112.7L115 E122 M123 R128 V129 E130L115-R126 HydrophobicContact CD1-CG 4.49Å; L115-R126 PolarHBondContact O-NH2 3Å; E122-R126 PolarHBondContact O-N 3.3Å; E122-R126 IonicContact OE1-CZ 3.3Å; E122-R126 IonicContact OE1-NH1 2.63Å; E122-R126 PolarHBondContact OE1-NH1 3.48Å; E122-R126 IonicContact OE1-NH2 3.75Å; E122-R126 PolarHBondContact OE1-NH2 2.84Å; M123-R126 PolarHBondContact O-N 2.96Å; R126-R128 PolarHBondContact O-N 3.01Å; R126-V129 PolarHBondContact O-N 2.91Å; R126-V129 VanDerWaalsContact O-N 3.11Å; R126-E130 WeakPolarHBondContact O-CG 3.48Å; R126-E130 PolarHBondContact O-N 2.86Å
127R68.9Low69.2Low142 Ų14291.8 Ų91.854%0.53647%0.466SS..Hα-helixtrans-56.4-40.3179-176.7173.4178.5156.90.4111.6M123 I131M123-R127 PolarHBondContact O-N 3.05Å; R127-I131 HydrophobicContact CG-CD1 4.16Å; R127-I131 WeakPolarHBondContact O-CD1 3.34Å; R127-I131 VanDerWaalsContact O-CG1 3.22Å; R127-I131 WeakPolarHBondContact O-CG1 3.34Å; R127-I131 PolarHBondContact O-N 3.37Å; R127-I131 VanDerWaalsContact O-N 3.08Å
128R73.6Confident70.8Confident165 Ų16596.7 Ų96.762%0.62349%0.487SS*.Hα-helixtrans-68.6-42177.9-73.1176.8179.9-164.90.3112.4L124 I125 R126 I131 I132L124-R128 WeakPolarHBondContact O-CB 3.15Å; L124-R128 VanDerWaalsContact O-CG 3.28Å; L124-R128 WeakPolarHBondContact O-CG 3.35Å; L124-R128 PolarHBondContact O-N 3.42Å; L124-R128 VanDerWaalsContact O-N 3.09Å; I125-R128 PolarHBondContact O-N 3.33Å; R126-R128 PolarHBondContact O-N 3.01Å; R128-I131 PolarHBondContact O-N 3.24Å; R128-I132 WeakPolarHBondContact O-CG1 3.39Å; R128-I132 PolarHBondContact O-N 3.48Å
129V74Confident72.5Confident33 Ų3393.2 Ų93.220%0.247%0.469CS..Hα-helixtrans-62.3-45175.31720000110.5G108 L115 I125 R126 I131 I132 L133G108-V129 VanDerWaalsContact O-CG1 3.32Å; G108-V129 WeakPolarHBondContact O-CG1 3.4Å; L115-V129 HydrophobicContact CD1-CB 4.48Å; L115-V129 HydrophobicContact CD1-CG1 4.37Å; L115-V129 HydrophobicContact CD1-CG2 4.28Å; I125-V129 HydrophobicContact CG2-CG2 4.38Å; I125-V129 WeakPolarHBondContact O-CG2 3.46Å; I125-V129 PolarHBondContact O-N 3.36Å; R126-V129 PolarHBondContact O-N 2.91Å; R126-V129 VanDerWaalsContact O-N 3.11Å; V129-I131 VanDerWaalsContact C-N 3.32Å; V129-I131 PolarHBondContact O-N 3.02Å; V129-I132 PolarHBondContact O-N 3.01Å; V129-I132 VanDerWaalsContact O-N 3.12Å; V129-L133 HydrophobicContact CG1-CD1 3.96Å; V129-L133 HydrophobicContact CG1-CG 4.29Å; V129-L133 WeakPolarHBondContact O-CG 3.24Å; V129-L133 PolarHBondContact O-N 3.24Å
130E75.4Confident74.2Confident124 Ų124100 Ų10058%0.57949%0.489SS*.Hα-helixtrans-58.3-42.2176.2-76.1169-172.600112.3R126 L133 A134R126-E130 WeakPolarHBondContact O-CG 3.48Å; R126-E130 PolarHBondContact O-N 2.86Å; E130-L133 PolarHBondContact O-N 3.29Å; E130-A134 VanDerWaalsContact O-CB 3.32Å; E130-A134 WeakPolarHBondContact O-CB 3.35Å; E130-A134 PolarHBondContact O-N 2.95Å
131I78.8Confident75.7Confident87 Ų8799.5 Ų99.545%0.44647%0.471SS..Hα-helixtrans-61.9-45.8174.7-68.9163.3000110.8R127 R128 V129 L133 A134 L135R127-I131 HydrophobicContact CG-CD1 4.16Å; R127-I131 WeakPolarHBondContact O-CD1 3.34Å; R127-I131 VanDerWaalsContact O-CG1 3.22Å; R127-I131 WeakPolarHBondContact O-CG1 3.34Å; R127-I131 PolarHBondContact O-N 3.37Å; R127-I131 VanDerWaalsContact O-N 3.08Å; R128-I131 PolarHBondContact O-N 3.24Å; V129-I131 VanDerWaalsContact C-N 3.32Å; V129-I131 PolarHBondContact O-N 3.02Å; I131-L133 VanDerWaalsContact C-N 3.31Å; I131-L133 PolarHBondContact O-N 3.35Å; I131-A134 PolarHBondContact O-N 2.91Å; I131-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 HydrophobicContact CG2-CG 4.38Å; I131-L135 WeakPolarHBondContact O-CB 3.46Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.28Å; I131-L135 PolarHBondContact O-N 3.24Å
132I77.3Confident76.8Confident89 Ų89102 Ų10246%0.45648%0.484SS..Hα-helixtrans-60.4-43.6178.4-68.3164.6000110.8R128 V129 L135 A136 L143R128-I132 WeakPolarHBondContact O-CG1 3.39Å; R128-I132 PolarHBondContact O-N 3.48Å; V129-I132 PolarHBondContact O-N 3.01Å; V129-I132 VanDerWaalsContact O-N 3.12Å; I132-L135 PolarHBondContact O-N 2.87Å; I132-A136 WeakPolarHBondContact O-CB 3.28Å; I132-A136 PolarHBondContact O-N 3.31Å; I132-L143 HydrophobicContact CG2-CD1 4.07Å
133L77.2Confident77.3Confident47 Ų47103.4 Ų103.425%0.24649%0.493CS..Hα-helixtrans-68.1-39.4178.9-65.9177.9000112.4L109 V129 E130 I131 A136 K137L109-L133 HydrophobicContact CD2-CD2 4.39Å; L109-L133 WeakPolarHBondContact O-CD1 3.16Å; L109-L133 WeakPolarHBondContact O-CD2 3.45Å; V129-L133 HydrophobicContact CG1-CD1 3.96Å; V129-L133 HydrophobicContact CG1-CG 4.29Å; V129-L133 WeakPolarHBondContact O-CG 3.24Å; V129-L133 PolarHBondContact O-N 3.24Å; E130-L133 PolarHBondContact O-N 3.29Å; I131-L133 VanDerWaalsContact C-N 3.31Å; I131-L133 PolarHBondContact O-N 3.35Å; L133-A136 PolarHBondContact O-N 2.83Å; L133-K137 WeakPolarHBondContact O-CB 3.42Å; L133-K137 PolarHBondContact O-N 3.38Å
134A81.9Confident77.4Confident56 Ų56101.5 Ų101.546%0.46349%0.49SS..Hα-helixtrans-60.8-46.7174.400000110.9E130 I131 K137 E138E130-A134 VanDerWaalsContact O-CB 3.32Å; E130-A134 WeakPolarHBondContact O-CB 3.35Å; E130-A134 PolarHBondContact O-N 2.95Å; I131-A134 PolarHBondContact O-N 2.91Å; A134-K137 PolarHBondContact O-N 3.01Å; A134-E138 VanDerWaalsContact O-CB 3.28Å; A134-E138 WeakPolarHBondContact O-CB 3.44Å; A134-E138 PolarHBondContact O-N 3.1Å
135L82.1Confident77.5Confident74 Ų74101.3 Ų101.339%0.38749%0.492SS..Hα-helixtrans-63.9-43.7176.2-68.1171.8000111.6I131 I132 K137 E138 Y139I131-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 HydrophobicContact CG2-CG 4.38Å; I131-L135 WeakPolarHBondContact O-CB 3.46Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.28Å; I131-L135 PolarHBondContact O-N 3.24Å; I132-L135 PolarHBondContact O-N 2.87Å; L135-K137 VanDerWaalsContact C-N 3.27Å; L135-K137 PolarHBondContact O-N 3.23Å; L135-E138 PolarHBondContact O-N 3.43Å; L135-Y139 HydrophobicContact CB-CD2 4.36Å; L135-Y139 HydrophobicContact CD2-CD2 4.11Å; L135-Y139 HydrophobicContact CD2-CE2 3.66Å; L135-Y139 WeakPolarHBondContact O-CB 3.32Å; L135-Y139 VanDerWaalsContact O-CD2 3.28Å; L135-Y139 WeakPolarHBondContact O-CD2 3.4Å; L135-Y139 PolarHBondContact O-N 2.94Å
136A80.7Confident77.5Confident14 Ų14103.1 Ų103.112%0.11651%0.506CS..Hα-helixtrans-60.3-39.6177.300000112I132 L133 K140 L141 L143I132-A136 WeakPolarHBondContact O-CB 3.28Å; I132-A136 PolarHBondContact O-N 3.31Å; L133-A136 PolarHBondContact O-N 2.83Å; A136-K140 CarbonylContact O-C 3.55Å; A136-K140 VanDerWaalsContact O-CA 3.26Å; A136-K140 WeakPolarHBondContact O-CA 3.27Å; A136-K140 PolarHBondContact O-N 2.87Å; A136-L141 HydrophobicContact CB-CB 4.37Å; A136-L141 PolarHBondContact O-N 3.31Å; A136-L143 HydrophobicContact CB-CD1 3.5Å; A136-L143 VanDerWaalsContact CB-CD1 3.5Å; A136-L143 HydrophobicContact CB-CG 4.08Å
137K81.8Confident77.3Confident179 Ų179106.6 Ų106.678%0.77853%0.528SS*.Hα-helixtrans-68.3-48.2175.2-175.5-179.1178.4-1770112.1L133 A134 L135 K140L133-K137 WeakPolarHBondContact O-CB 3.42Å; L133-K137 PolarHBondContact O-N 3.38Å; A134-K137 PolarHBondContact O-N 3.01Å; L135-K137 VanDerWaalsContact C-N 3.27Å; L135-K137 PolarHBondContact O-N 3.23Å; K137-K140 PolarHBondContact O-N 2.92Å
138E88.9Confident77.5Confident130 Ų130103 Ų10361%0.60752%0.522SS*.Hα-helixtrans-60.8-47.7-178.5-176.5-179.9179.800111.4A134 L135 K140A134-E138 VanDerWaalsContact O-CB 3.28Å; A134-E138 WeakPolarHBondContact O-CB 3.44Å; A134-E138 PolarHBondContact O-N 3.1Å; L135-E138 PolarHBondContact O-N 3.43Å; E138-K140 VanDerWaalsContact C-N 3.35Å
139Y89Confident77.5Confident147 Ų147102.9 Ų102.958%0.57653%0.526SS*.THydrogen-bonded Turntrans-91.45.4-177.7-66.6-85.2000113.5L135 L141L135-Y139 HydrophobicContact CB-CD2 4.36Å; L135-Y139 HydrophobicContact CD2-CD2 4.11Å; L135-Y139 HydrophobicContact CD2-CE2 3.66Å; L135-Y139 WeakPolarHBondContact O-CB 3.32Å; L135-Y139 VanDerWaalsContact O-CD2 3.28Å; L135-Y139 WeakPolarHBondContact O-CD2 3.4Å; L135-Y139 PolarHBondContact O-N 2.94Å; Y139-L141 PolarHBondContact O-N 2.85Å
140K88.7Confident77.2Confident189 Ų189104 Ų10482%0.82254%0.536SS*.THydrogen-bonded Turntrans5041.8-177.9-58.6179.4-179177.10112.9A136 K137 E138A136-K140 CarbonylContact O-C 3.55Å; A136-K140 VanDerWaalsContact O-CA 3.26Å; A136-K140 WeakPolarHBondContact O-CA 3.27Å; A136-K140 PolarHBondContact O-N 2.87Å; K137-K140 PolarHBondContact O-N 2.92Å; E138-K140 VanDerWaalsContact C-N 3.35Å
141L82.6Confident77.1Confident100 Ų100102.4 Ų102.452%0.52454%0.543SS..  trans-78.5132.8-179-56175.4000110A136 Y139 L143A136-L141 HydrophobicContact CB-CB 4.37Å; A136-L141 PolarHBondContact O-N 3.31Å; Y139-L141 PolarHBondContact O-N 2.85Å; L141-L143 PolarHBondContact O-N 3.12Å
142N79.8Confident77Confident151 Ų151103.4 Ų103.481%0.80755%0.55SS*.  trans-86105.5167-164.1-29.8000108.5
143L72.8Confident77.2Confident81 Ų81101.8 Ų101.842%0.42454%0.542SS..  trans-86.2119.7179.9-76.4170.9000110I132 A136 L141I132-L143 HydrophobicContact CG2-CD1 4.07Å; A136-L143 HydrophobicContact CB-CD1 3.5Å; A136-L143 VanDerWaalsContact CB-CD1 3.5Å; A136-L143 HydrophobicContact CB-CG 4.08Å; L141-L143 PolarHBondContact O-N 3.12Å
144V70.7Confident77.1Confident114 Ų114107.8 Ų107.869%0.69157%0.566SS**  trans-106.1118.8165.9-176.90000107.6T146V144-T146 HydrophobicContact CG1-CG2 4Å
145V69.1Low76.6Confident84 Ų84107.7 Ų107.751%0.50957%0.565SS.*  trans-102105.4175.1-179.20000108.6V105 L109V105-V145 HydrophobicContact CG1-CB 4.01Å; V105-V145 HydrophobicContact CG1-CG1 3.63Å; L109-V145 HydrophobicContact CD1-CB 3.97Å; L109-V145 HydrophobicContact CD1-CG2 3.42Å; L109-V145 VanDerWaalsContact CD1-CG2 3.42Å; L109-V145 HydrophobicContact CD2-CG2 4.27Å; L109-V145 HydrophobicContact CG-CG2 4.45Å
146T65.8Low76.1Confident99 Ų99106.2 Ų106.261%0.60756%0.558SS**  trans-104.4139.3172.151.50000110.1V144V144-T146 HydrophobicContact CG1-CG2 4Å
147L64.2Low75.7Confident133 Ų133109 Ų10970%0.69658%0.58SS**  trans-74.4127.8168.7-175.468.3000109.7H75H75-L147 VanDerWaalsContact CE1-CD2 3.45Å; H75-L147 WeakPolarHBondContact CE1-CD2 3.34Å; H75-L147 WeakPolarHBondContact ND1-CD2 3.49Å
148V72.2Confident75.2Confident68 Ų68107.7 Ų107.741%0.41258%0.582SS.*  trans-132.7147.1-178.7177.40000107.8S150 D152V148-S150 PolarHBondContact O-N 3.08Å; V148-D152 HydrophobicContact CG1-CB 3.43Å; V148-D152 VanDerWaalsContact CG1-CB 3.43Å
149K73.9Confident74.4Confident161 Ų161106.6 Ų106.670%0.758%0.584SS**  trans-58.5141.8176-65.6177.5176.8175.30109A151 D152 N153K149-A151 PolarHBondContact O-N 3.03Å; K149-D152 WeakPolarHBondContact CB-OD2 3.49Å; K149-D152 CarbonylContact O-C 3.49Å; K149-D152 WeakPolarHBondContact O-CA 3.48Å; K149-D152 PolarHBondContact O-N 3.16Å; K149-N153 PolarHBondContact O-N 3.21Å
150S68.3Low73.6Confident57 Ų57106.9 Ų106.940%0.39958%0.584SS.*THydrogen-bonded Turntrans-58.4-26.1-179.1-65.30000114.2V148 D152 D156V148-S150 PolarHBondContact O-N 3.08Å; S150-D152 VanDerWaalsContact C-N 3.28Å; S150-D156 WeakPolarHBondContact CA-OD2 3.22Å; S150-D156 WeakPolarHBondContact CB-OD2 3.41Å; S150-D156 WeakPolarHBondContact O-CB 3.28Å; S150-D156 PolarHBondContact OG-OD2 3.35Å
151A72.6Confident72.7Confident90 Ų90101 Ų10174%0.74456%0.564SS**THydrogen-bonded Turntrans-67.1-30173.900000112.8K149K149-A151 PolarHBondContact O-N 3.03Å
152D78.5Confident72.2Confident109 Ų10998.7 Ų98.758%0.58355%0.554SS**THydrogen-bonded Turntrans-94.7-15.2-179.5-55.5-40.8000111.7V148 K149 S150 K154V148-D152 HydrophobicContact CG1-CB 3.43Å; V148-D152 VanDerWaalsContact CG1-CB 3.43Å; K149-D152 WeakPolarHBondContact CB-OD2 3.49Å; K149-D152 CarbonylContact O-C 3.49Å; K149-D152 WeakPolarHBondContact O-CA 3.48Å; K149-D152 PolarHBondContact O-N 3.16Å; S150-D152 VanDerWaalsContact C-N 3.28Å; D152-K154 PolarHBondContact O-N 3.11Å
153N79.7Confident71.6Confident55 Ų5598.9 Ų98.929%0.29455%0.55SS.*  trans-73.5109.4175.81806.8000110.6K149 A155 D156 A157K149-N153 PolarHBondContact O-N 3.21Å; N153-A155 PolarHBondContact O-N 3.03Å; N153-A155 WeakPolarHBondContact OD1-CB 3.32Å; N153-A155 PolarHBondContact OD1-N 3.39Å; N153-D156 HydrophobicContact CB-CB 4.02Å; N153-D156 PolarHBondContact ND2-OD1 3.02Å; N153-D156 PolarHBondContact ND2-OD2 2.99Å; N153-D156 VanDerWaalsContact ND2-OD2 3.16Å; N153-D156 PolarHBondContact O-N 2.94Å; N153-D156 VanDerWaalsContact O-N 3.1Å; N153-A157 PolarHBondContact O-N 3.09Å
154K76.2Confident71.5Confident172 Ų172102.1 Ų102.175%0.74856%0.563SS**Hα-helixtrans-56-36.7177.4-67.1-177.6-179.1177.70113D152 A157 L158D152-K154 PolarHBondContact O-N 3.11Å; K154-A157 PolarHBondContact O-N 3.26Å; K154-L158 WeakPolarHBondContact O-CB 3.22Å; K154-L158 VanDerWaalsContact O-CG 3.22Å; K154-L158 WeakPolarHBondContact O-CG 3.47Å; K154-L158 PolarHBondContact O-N 3.02Å
155A72.3Confident71.5Confident54 Ų54105.6 Ų105.645%0.44656%0.564SS.*Hα-helixtrans-66.7-41.7178.700000111.4N153 L158 T159N153-A155 PolarHBondContact O-N 3.03Å; N153-A155 WeakPolarHBondContact OD1-CB 3.32Å; N153-A155 PolarHBondContact OD1-N 3.39Å; A155-L158 PolarHBondContact O-N 3.34Å; A155-T159 WeakPolarHBondContact O-CB 3.35Å; A155-T159 WeakPolarHBondContact O-CG2 3.42Å; A155-T159 PolarHBondContact O-N 3.21Å; A155-T159 PolarHBondContact O-OG1 3.18Å
156D71.2Confident71.4Confident44 Ų44106.8 Ų106.824%0.23557%0.567CS.*Hα-helixtrans-65.3-44.8174-72-10.6000110.3S150 N153 L158 T159 R160S150-D156 WeakPolarHBondContact CA-OD2 3.22Å; S150-D156 WeakPolarHBondContact CB-OD2 3.41Å; S150-D156 WeakPolarHBondContact O-CB 3.28Å; S150-D156 PolarHBondContact OG-OD2 3.35Å; N153-D156 HydrophobicContact CB-CB 4.02Å; N153-D156 PolarHBondContact ND2-OD1 3.02Å; N153-D156 PolarHBondContact ND2-OD2 2.99Å; N153-D156 VanDerWaalsContact ND2-OD2 3.16Å; N153-D156 PolarHBondContact O-N 2.94Å; N153-D156 VanDerWaalsContact O-N 3.1Å; D156-L158 PolarHBondContact O-N 2.72Å; D156-T159 PolarHBondContact O-N 3.01Å; D156-R160 WeakPolarHBondContact O-CA 3.49Å; D156-R160 WeakPolarHBondContact O-CB 2.97Å; D156-R160 PolarHBondContact O-N 3.39Å
157A72.6Confident71.4Confident71 Ų71104.4 Ų104.459%0.58756%0.557SS**Hα-helixtrans-56.6-36176.600000112.9N153 K154N153-A157 PolarHBondContact O-N 3.09Å; K154-A157 PolarHBondContact O-N 3.26Å
158L69.8Low71Confident153 Ų153102.2 Ų102.280%0.80155%0.551SS**Hα-helixtrans-82.1-24.1179.8-68.2172.4000114.2K154 A155 D156K154-L158 WeakPolarHBondContact O-CB 3.22Å; K154-L158 VanDerWaalsContact O-CG 3.22Å; K154-L158 WeakPolarHBondContact O-CG 3.47Å; K154-L158 PolarHBondContact O-N 3.02Å; A155-L158 PolarHBondContact O-N 3.34Å; D156-L158 PolarHBondContact O-N 2.72Å
159T72.7Confident70.2Confident106 Ų106102.3 Ų102.365%0.6556%0.559SS**Hα-helixtrans-111.7-11.1-175.559.90000114.1A155 D156 V161A155-T159 WeakPolarHBondContact O-CB 3.35Å; A155-T159 WeakPolarHBondContact O-CG2 3.42Å; A155-T159 PolarHBondContact O-N 3.21Å; A155-T159 PolarHBondContact O-OG1 3.18Å; D156-T159 PolarHBondContact O-N 3.01Å; T159-V161 PolarHBondContact O-N 2.75Å
160R72.5Confident69.1Low154 Ų154100 Ų10058%0.58155%0.554SS**PPolyproline II helixtrans-68.2129.5-178.2-179.7174.4-66.8-107.2-5.6110D156 P162D156-R160 WeakPolarHBondContact O-CA 3.49Å; D156-R160 WeakPolarHBondContact O-CB 2.97Å; D156-R160 PolarHBondContact O-N 3.39Å; R160-P162 WeakPolarHBondContact O-CD 3.41Å
161V70.3Confident68.2Low66 Ų66103.3 Ų103.340%0.458%0.577SS.*PPolyproline II helixtrans-65.9126.2172.2179.40000108.5T159 H163 W165 L166T159-V161 PolarHBondContact O-N 2.75Å; V161-H163 PolarHBondContact O-N 3.42Å; V161-W165 HydrophobicContact CG1-CB 3.81Å; V161-W165 HydrophobicContact CG1-CD2 4.35Å; V161-W165 HydrophobicContact CG1-CE3 3.79Å; V161-W165 HydrophobicContact CG1-CG 4.43Å; V161-L166 HydrophobicContact CB-CD1 4.36Å; V161-L166 HydrophobicContact CB-CD2 4.48Å; V161-L166 HydrophobicContact CB-CG 4.31Å; V161-L166 HydrophobicContact CG1-CD1 4.48Å; V161-L166 HydrophobicContact CG1-CD2 4.08Å; V161-L166 HydrophobicContact CG1-CG 3.91Å
162P71Confident67.1Low50 Ų50103.5 Ų103.533%0.32557%0.565SS.*PPolyproline II helixtrans-53.2135.3177.1-28.135.4000111.4R160 Q164 W165 L166R160-P162 WeakPolarHBondContact O-CD 3.41Å; P162-Q164 HydrophobicContact CB-CG 3.66Å; P162-Q164 PolarHBondContact O-N 3.2Å; P162-Q164 VanDerWaalsContact O-N 3.11Å; P162-W165 HydrophobicContact CB-CD2 4.4Å; P162-W165 HydrophobicContact CB-CG 4.31Å; P162-W165 HydrophobicContact CG-CD2 4.15Å; P162-W165 HydrophobicContact CG-CZ2 4.27Å; P162-W165 WeakPolarHBondContact O-CB 3.36Å; P162-W165 PolarHBondContact O-N 3.09Å; P162-L166 PolarHBondContact O-N 3.49Å
163H67.3Low65.2Low155 Ų155109 Ų10972%0.71858%0.578SS**Hα-helixtrans-58.7-31.2-175.5-155.7-86.7000112.5V161 W165 L166 A167V161-H163 PolarHBondContact O-N 3.42Å; H163-W165 PolarHBondContact O-N 2.78Å; H163-L166 CarbonylContact O-C 3.59Å; H163-L166 PolarHBondContact O-N 3.05Å; H163-A167 PolarHBondContact O-N 2.82Å
164Q70.6Confident63.2Low150 Ų150110.4 Ų110.470%0.70160%0.597SS**Hα-helixtrans-57.8-24.6171.854.6175.616.600114.4P162P162-Q164 HydrophobicContact CB-CG 3.66Å; P162-Q164 PolarHBondContact O-N 3.2Å; P162-Q164 VanDerWaalsContact O-N 3.11Å
165W70.2Confident61.6Low187 Ų187110.6 Ų110.671%0.70861%0.605SS**Hα-helixtrans-88.3-23.8175.7-60.5-1.2000112.5V161 P162 H163V161-W165 HydrophobicContact CG1-CB 3.81Å; V161-W165 HydrophobicContact CG1-CD2 4.35Å; V161-W165 HydrophobicContact CG1-CE3 3.79Å; V161-W165 HydrophobicContact CG1-CG 4.43Å; P162-W165 HydrophobicContact CB-CD2 4.4Å; P162-W165 HydrophobicContact CB-CG 4.31Å; P162-W165 HydrophobicContact CG-CD2 4.15Å; P162-W165 HydrophobicContact CG-CZ2 4.27Å; P162-W165 WeakPolarHBondContact O-CB 3.36Å; P162-W165 PolarHBondContact O-N 3.09Å; H163-W165 PolarHBondContact O-N 2.78Å
166L68.5Low59.8Low108 Ų108114.8 Ų114.857%0.56562%0.62SS**Hα-helixtrans-90-20.1176.3-65.9176.1000112.6V161 P162 H163 P168V161-L166 HydrophobicContact CB-CD1 4.36Å; V161-L166 HydrophobicContact CB-CD2 4.48Å; V161-L166 HydrophobicContact CB-CG 4.31Å; V161-L166 HydrophobicContact CG1-CD1 4.48Å; V161-L166 HydrophobicContact CG1-CD2 4.08Å; V161-L166 HydrophobicContact CG1-CG 3.91Å; P162-L166 PolarHBondContact O-N 3.49Å; H163-L166 CarbonylContact O-C 3.59Å; H163-L166 PolarHBondContact O-N 3.05Å; L166-P168 WeakPolarHBondContact O-CD 3.49Å
167A64.8Low58.2Low50 Ų50119.5 Ų119.541%0.41366%0.655SS.*SBendtrans-47.2116171.600000106.4H163 A169H163-A167 PolarHBondContact O-N 2.82Å; A167-A169 PolarHBondContact O-N 3.22Å
168P56.5Low56.6Low87 Ų87119.8 Ų119.857%0.56566%0.658SS**  trans-54.6144.1171.1-6.717.5000105.4L166 D170L166-P168 WeakPolarHBondContact O-CD 3.49Å; P168-D170 HydrophobicContact CB-CB 4.24Å; P168-D170 VanDerWaalsContact CB-CG 3.48Å; P168-D170 WeakPolarHBondContact CB-OD2 3.42Å; P168-D170 WeakPolarHBondContact CG-OD2 3.42Å; P168-D170 PolarHBondContact O-N 3.11Å
169A56Low55.2Low69 Ų69117.8 Ų117.857%0.5766%0.663SS**  trans-68.442.317300000111.1A167 S171 L172A167-A169 PolarHBondContact O-N 3.22Å; A169-S171 PolarHBondContact O-N 2.67Å; A169-L172 PolarHBondContact O-N 3.46Å
170D50.6Low53.8Low114 Ų114116.9 Ų116.961%0.6167%0.667SS**THydrogen-bonded Turntrans-70.14.9-175.4-79.9-9000112.7P168 L172 R173P168-D170 HydrophobicContact CB-CB 4.24Å; P168-D170 VanDerWaalsContact CB-CG 3.48Å; P168-D170 WeakPolarHBondContact CB-OD2 3.42Å; P168-D170 WeakPolarHBondContact CG-OD2 3.42Å; P168-D170 PolarHBondContact O-N 3.11Å; D170-L172 PolarHBondContact O-N 3.42Å; D170-R173 PolarHBondContact O-N 3.37Å
171S48.6Very low52.6Low126 Ų126112.2 Ų112.288%0.88166%0.661SS**THydrogen-bonded Turntrans-71.6-9.3157.8-60.30000113A169 R173A169-S171 PolarHBondContact O-N 2.67Å; S171-R173 VanDerWaalsContact C-N 3.28Å; S171-R173 PolarHBondContact O-N 3.02Å
172L49Very low51.8Low94 Ų94111.7 Ų111.749%0.49266%0.664SS.*SBendtrans-98.556.3164.4-72.7158.4000109.7A169 D170 A174 P213 T214A169-L172 PolarHBondContact O-N 3.46Å; D170-L172 PolarHBondContact O-N 3.42Å; L172-A174 PolarHBondContact O-N 3.47Å; L172-A174 VanDerWaalsContact O-N 3.15Å; L172-P213 HydrophobicContact CD1-CB 3.52Å; L172-P213 HydrophobicContact CD1-CG 3.48Å; L172-P213 VanDerWaalsContact CD1-CG 3.48Å; L172-T214 HydrophobicContact CD1-CG2 4.11Å; L172-T214 HydrophobicContact CD2-CG2 4.06Å
173R39.2Very low51.2Low223 Ų223114.1 Ų114.184%0.84268%0.679SS**  trans-56.2114.9166.6-104.8178.2146.3164.5-5.1109.1D170 S171 L175D170-R173 PolarHBondContact O-N 3.37Å; S171-R173 VanDerWaalsContact C-N 3.28Å; S171-R173 PolarHBondContact O-N 3.02Å; R173-L175 PolarHBondContact O-N 3.44Å; R173-L175 VanDerWaalsContact O-N 3.12Å
174A37.6Very low51.2Low85 Ų85114.6 Ų114.670%0.70268%0.682SS**  trans44.955.3145.300000115.9L172 D176L172-A174 PolarHBondContact O-N 3.47Å; L172-A174 VanDerWaalsContact O-N 3.15Å; A174-D176 PolarHBondContact O-N 3.48Å
175L41.7Very low51.7Low176 Ų176109.9 Ų109.992%0.92166%0.662SS**  trans-76.4108.4152.6-143.176.2000106.6R173R173-L175 PolarHBondContact O-N 3.44Å; R173-L175 VanDerWaalsContact O-N 3.12Å
176D34.3Very low52.5Low142 Ų142102.3 Ų102.376%0.75964%0.635SS**  trans-40.3151.6179.8-71.3-52.2000113.6A174 A178A174-D176 PolarHBondContact O-N 3.48Å; D176-A178 PolarHBondContact O-N 3.26Å
177C38.1Very low53.6Low143 Ų14399.1 Ų99.197%0.96663%0.628SS**  trans-58.875.5173.3-59.30000112
178A38.9Very low54.8Low78 Ų7899.6 Ų99.665%0.64562%0.623SS**  trans-95.696.8169.800000108.1D176 A180D176-A178 PolarHBondContact O-N 3.26Å; A178-A180 PolarHBondContact O-N 2.71Å
179A41.8Very low56.7Low111 Ų11195.5 Ų95.592%0.91760%0.596SS**THydrogen-bonded Turntrans-66.227.9177.600000114.5
180A42.8Very low58.5Low87 Ų8793.4 Ų93.472%0.71958%0.579SS**THydrogen-bonded Turntrans-121.9-7.4-169.300000116.2A178A178-A180 PolarHBondContact O-N 2.71Å
181A47.3Very low60.6Low56 Ų5695.6 Ų95.646%0.46358%0.583SS.*  trans-94.815.8-176.800000115.2P183 Q184A181-P183 VanDerWaalsContact C-CD 3.46Å; A181-Q184 PolarHBondContact O-N 3.15Å
182A52.2Low62.8Low55 Ų5590.4 Ų90.446%0.45555%0.546SS..Hα-helixtrans-53.8-40.3-171.300000116.3
183P58.9Low65Low101 Ų10186 Ų8666%0.65652%0.522SS*.Hα-helixtrans-80.9-22.4-175.428.4-32.1000114.5A181 N185 D186A181-P183 VanDerWaalsContact C-CD 3.46Å; P183-N185 PolarHBondContact O-N 2.91Å; P183-D186 PolarHBondContact O-N 3.12Å
184Q67.4Low67.6Low164 Ų16480.1 Ų80.177%0.76651%0.505SS*.Hα-helixtrans-66.7-38.1-178.7-100.9179.48.900112.3A181 D186A181-Q184 PolarHBondContact O-N 3.15Å; Q184-D186 VanDerWaalsContact C-N 3.34Å; Q184-D186 PolarHBondContact O-N 3.28Å
185N80.7Confident70.2Confident52 Ų5280.5 Ų80.528%0.27851%0.508SS..Hα-helixtrans-77.6-21.2-176.4-73.5-1.1000113.1P183 G187 L188 I189 L215P183-N185 PolarHBondContact O-N 2.91Å; N185-G187 VanDerWaalsContact C-N 3.32Å; N185-G187 PolarHBondContact O-N 2.53Å; N185-L188 PolarHBondContact O-N 3.13Å; N185-I189 VanDerWaalsContact O-CG1 3.32Å; N185-I189 WeakPolarHBondContact O-CG1 2.99Å; N185-I189 PolarHBondContact O-N 2.83Å; N185-I189 VanDerWaalsContact O-N 3.1Å; N185-L215 HydrophobicContact CB-CD2 3.59Å; N185-L215 WeakPolarHBondContact ND2-CD2 3.43Å
186D88.2Confident72.5Confident28 Ų2874.1 Ų74.115%0.1548%0.48CS..Hα-helixtrans-66.5-35.1-177.4-74.31.9000111.4P183 Q184 L188 I189 A190 R222 V223P183-D186 PolarHBondContact O-N 3.12Å; Q184-D186 VanDerWaalsContact C-N 3.34Å; Q184-D186 PolarHBondContact O-N 3.28Å; D186-L188 PolarHBondContact O-N 2.87Å; D186-I189 PolarHBondContact O-N 2.85Å; D186-A190 WeakPolarHBondContact O-CB 3.38Å; D186-A190 PolarHBondContact O-N 2.68Å; D186-R222 VanDerWaalsContact CG-NH2 3.32Å; D186-R222 IonicContact OD1-CZ 3.63Å; D186-R222 IonicContact OD1-NE 3.37Å; D186-R222 IonicContact OD1-NH2 3.3Å; D186-R222 PolarHBondContact OD1-NH2 3.43Å; D186-R222 IonicContact OD2-CZ 3.47Å; D186-R222 IonicContact OD2-NE 2.71Å; D186-R222 PolarHBondContact OD2-NE 3.21Å; D186-R222 IonicContact OD2-NH2 2.74Å; D186-R222 PolarHBondContact OD2-NH2 3.22Å; D186-V223 HydrophobicContact CB-CG2 3.64Å
187G90.4Very high75.2Confident40 Ų4070 Ų7041%0.41247%0.471SS..Hα-helixtrans-64.1-39.317500000113.7N185 K191N185-G187 VanDerWaalsContact C-N 3.32Å; N185-G187 PolarHBondContact O-N 2.53Å; G187-K191 WeakPolarHBondContact O-CG 3.43Å; G187-K191 PolarHBondContact O-N 2.93Å; G187-K191 VanDerWaalsContact O-N 3.12Å
188L91.3Very high77.6Confident61 Ų6165.5 Ų65.532%0.31944%0.436SS..Hα-helixtrans-66.5-45.3174.8176.962.4000110.8N185 D186 A190 K191 I192 D212 L215N185-L188 PolarHBondContact O-N 3.13Å; D186-L188 PolarHBondContact O-N 2.87Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 2.97Å; L188-K191 PolarHBondContact O-N 3.12Å; L188-I192 HydrophobicContact CD1-CD1 3.91Å; L188-I192 HydrophobicContact CD1-CG1 4.3Å; L188-I192 HydrophobicContact CG-CD1 3.96Å; L188-I192 WeakPolarHBondContact O-CG1 3.42Å; L188-I192 PolarHBondContact O-N 3.19Å; L188-D212 HydrophobicContact CD2-CB 4.27Å; L188-L215 HydrophobicContact CD2-CD1 4.41Å
189I95.3Very high80Confident0 Ų063.6 Ų63.60%042%0.417CS..Hα-helixtrans-59.4-45.1177.7-65.4166000110.4N185 D186 I192 H193 T204 L215 A219 V220 V223N185-I189 VanDerWaalsContact O-CG1 3.32Å; N185-I189 WeakPolarHBondContact O-CG1 2.99Å; N185-I189 PolarHBondContact O-N 2.83Å; N185-I189 VanDerWaalsContact O-N 3.1Å; D186-I189 PolarHBondContact O-N 2.85Å; I189-I192 PolarHBondContact O-N 2.87Å; I189-H193 VanDerWaalsContact O-CB 3.25Å; I189-H193 WeakPolarHBondContact O-CB 3.35Å; I189-H193 PolarHBondContact O-N 3.11Å; I189-T204 HydrophobicContact CG2-CG2 4.08Å; I189-L215 HydrophobicContact CD1-CD2 4.24Å; I189-L215 HydrophobicContact CG1-CD1 3.98Å; I189-L215 HydrophobicContact CG1-CD2 4.44Å; I189-A219 HydrophobicContact CD1-CB 3.8Å; I189-V220 HydrophobicContact CD1-CG2 3.97Å; I189-V220 HydrophobicContact CG1-CG2 4.21Å; I189-V220 HydrophobicContact CG2-CB 4.31Å; I189-V220 HydrophobicContact CG2-CG1 4.19Å; I189-V220 HydrophobicContact CG2-CG2 4.05Å; I189-V223 HydrophobicContact CB-CB 4.33Å; I189-V223 HydrophobicContact CB-CG1 4.24Å; I189-V223 HydrophobicContact CB-CG2 4.07Å; I189-V223 HydrophobicContact CD1-CG2 4.3Å; I189-V223 HydrophobicContact CG2-CB 3.68Å; I189-V223 HydrophobicContact CG2-CG1 3.73Å; I189-V223 HydrophobicContact CG2-CG2 3.92Å
190A94.5Very high82.3Confident26 Ų2659.6 Ų59.622%0.21539%0.386CS..Hα-helixtrans-61.3-46.2179.700000111.6D186 L188 I192 H193 H194 V223D186-A190 WeakPolarHBondContact O-CB 3.38Å; D186-A190 PolarHBondContact O-N 2.68Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 2.97Å; A190-I192 PolarHBondContact O-N 2.66Å; A190-H193 PolarHBondContact O-N 3.44Å; A190-H194 VanDerWaalsContact O-CG 3.28Å; A190-H194 PolarHBondContact O-N 2.89Å; A190-V223 HydrophobicContact CB-CG1 3.85Å
191K94.5Very high84.7Confident159 Ų15957.1 Ų57.169%0.69136%0.362SS*.Hα-helixtrans-58.1-46.8175.8-74.8177.5-177.5-179.70112G187 L188 A195G187-K191 WeakPolarHBondContact O-CG 3.43Å; G187-K191 PolarHBondContact O-N 2.93Å; G187-K191 VanDerWaalsContact O-N 3.12Å; L188-K191 PolarHBondContact O-N 3.12Å; K191-A195 VanDerWaalsContact O-CB 3.23Å; K191-A195 WeakPolarHBondContact O-CB 3.46Å; K191-A195 PolarHBondContact O-N 2.63Å
192I95.1Very high86.9Confident18 Ų1864.2 Ų64.29%0.09238%0.377CS..Hα-helixtrans-65.2-42.1178.6-67.5173.3000111L188 I189 A190 A196 F207 A208 Y211L188-I192 HydrophobicContact CD1-CD1 3.91Å; L188-I192 HydrophobicContact CD1-CG1 4.3Å; L188-I192 HydrophobicContact CG-CD1 3.96Å; L188-I192 WeakPolarHBondContact O-CG1 3.42Å; L188-I192 PolarHBondContact O-N 3.19Å; I189-I192 PolarHBondContact O-N 2.87Å; A190-I192 PolarHBondContact O-N 2.66Å; I192-A196 WeakPolarHBondContact O-CB 3.17Å; I192-A196 PolarHBondContact O-N 2.85Å; I192-F207 HydrophobicContact CG2-CB 3.55Å; I192-A208 HydrophobicContact CD1-CB 4.19Å; I192-Y211 HydrophobicContact CD1-CD2 3.46Å; I192-Y211 VanDerWaalsContact CD1-CD2 3.46Å; I192-Y211 HydrophobicContact CD1-CE2 4.03Å; I192-Y211 HydrophobicContact CD1-CG 4.02Å; I192-Y211 HydrophobicContact CG1-CD2 4.27Å; I192-Y211 HydrophobicContact CG1-CE2 4.36Å
193H95Very high88.9Confident0 Ų068.9 Ų68.90%038%0.383CS..Hα-helixtrans-60.7-47.3178.3178.469.3000112.1I189 A190 G197 H198 T204 C230I189-H193 VanDerWaalsContact O-CB 3.25Å; I189-H193 WeakPolarHBondContact O-CB 3.35Å; I189-H193 PolarHBondContact O-N 3.11Å; A190-H193 PolarHBondContact O-N 3.44Å; H193-G197 PolarHBondContact O-N 3.22Å; H193-H198 AromaticContact CD2-ND1 3.47Å; H193-H198 PolarHBondContact CD2-ND1 3.29Å; H193-H198 VanDerWaalsContact CE1-CA 3.46Å; H193-H198 WeakPolarHBondContact CE1-CA 3.48Å; H193-H198 AromaticContact CE1-ND1 3.83Å; H193-H198 AromaticContact NE2-CE1 3.92Å; H193-H198 AromaticContact NE2-CG 3.74Å; H193-H198 AromaticContact NE2-ND1 2.97Å; H193-H198 PolarHBondContact NE2-ND1 3.36Å; H193-H198 PolarHBondContact O-N 3.28Å; H193-T204 HydrophobicContact CB-CG2 3.81Å; H193-T204 PolarHBondContact ND1-OG1 3.19Å; H193-C230 VanDerWaalsContact CE1-SG 3.53Å; H193-C230 PolarHBondContact NE2-SG 3.19Å
194H94.2Very high90.6Very high101 Ų10164 Ų6447%0.46835%0.351SS..Hα-helixtrans-67-47.6177.5-65.1167.5000111.9A190 A196 G197 H198A190-H194 VanDerWaalsContact O-CG 3.28Å; A190-H194 PolarHBondContact O-N 2.89Å; H194-A196 PolarHBondContact O-N 3.23Å; H194-G197 PolarHBondContact O-N 3.28Å; H194-H198 AromaticContact CD2-CE1 3.29Å; H194-H198 PolarHBondContact CD2-CE1 3.12Å; H194-H198 AromaticContact CD2-NE2 3.88Å; H194-H198 AromaticContact NE2-CE1 3.87Å
195A92.4Very high92Very high93 Ų9357.6 Ų57.677%0.76932%0.322SS*.Hα-helixtrans-62.8-30.718000000112.8K191 G197K191-A195 VanDerWaalsContact O-CB 3.23Å; K191-A195 WeakPolarHBondContact O-CB 3.46Å; K191-A195 PolarHBondContact O-N 2.63Å; A195-G197 VanDerWaalsContact C-N 3.31Å
196A90.2Very high92.6Very high41 Ų4161.1 Ų61.134%0.33933%0.332SS..THydrogen-bonded Turntrans-85.12.6177.100000114.2I192 H194 P199 F207I192-A196 WeakPolarHBondContact O-CB 3.17Å; I192-A196 PolarHBondContact O-N 2.85Å; H194-A196 PolarHBondContact O-N 3.23Å; A196-P199 HydrophobicContact CB-CG 3.9Å; A196-F207 HydrophobicContact CB-CD2 3.74Å; A196-F207 HydrophobicContact CB-CE2 3.81Å
197G89.3Confident92.9Very high55 Ų5562 Ų6257%0.56734%0.335SS*.THydrogen-bonded Turntrans72.443.9178.200000113.8H193 H194 A195H193-G197 PolarHBondContact O-N 3.22Å; H194-G197 PolarHBondContact O-N 3.28Å; A195-G197 VanDerWaalsContact C-N 3.31Å
198H89.7Confident93Very high49 Ų4960.1 Ų60.123%0.22732%0.315CS..  trans56.250.7172.8-56.9-89.9000115.9H193 H194 G200 C227 I229H193-H198 AromaticContact CD2-ND1 3.47Å; H193-H198 PolarHBondContact CD2-ND1 3.29Å; H193-H198 VanDerWaalsContact CE1-CA 3.46Å; H193-H198 WeakPolarHBondContact CE1-CA 3.48Å; H193-H198 AromaticContact CE1-ND1 3.83Å; H193-H198 AromaticContact NE2-CE1 3.92Å; H193-H198 AromaticContact NE2-CG 3.74Å; H193-H198 AromaticContact NE2-ND1 2.97Å; H193-H198 PolarHBondContact NE2-ND1 3.36Å; H193-H198 PolarHBondContact O-N 3.28Å; H194-H198 AromaticContact CD2-CE1 3.29Å; H194-H198 PolarHBondContact CD2-CE1 3.12Å; H194-H198 AromaticContact CD2-NE2 3.88Å; H194-H198 AromaticContact NE2-CE1 3.87Å; H198-G200 PolarHBondContact O-N 3.16Å; H198-C227 PolarHBondContact CE1-SG 3.28Å; H198-C227 PolarHBondContact ND1-SG 3.08Å; H198-I229 WeakPolarHBondContact NE2-CD1 3.45Å
199P88.8Confident93.1Very high39 Ų3962 Ų6225%0.25332%0.321SS..  trans-789.6-16936.4-41.2000115.1A196 R203 T204 F207A196-P199 HydrophobicContact CB-CG 3.9Å; P199-R203 HydrophobicContact CB-CB 3.82Å; P199-R203 HydrophobicContact CB-CG 3.68Å; P199-R203 HydrophobicContact CG-CB 4.18Å; P199-R203 HydrophobicContact CG-CG 4.1Å; P199-T204 WeakPolarHBondContact CG-OG1 3.47Å; P199-F207 HydrophobicContact CG-CD2 4.43Å; P199-F207 HydrophobicContact CG-CE2 4.3Å
200G89.9Confident92.9Very high26 Ų2670.1 Ų70.127%0.26835%0.351SS..Hα-helixtrans75.6170.8-17500000115H198 R202 R203 T204H198-G200 PolarHBondContact O-N 3.16Å; G200-R202 PolarHBondContact O-N 2.88Å; G200-R203 PolarHBondContact O-N 2.81Å; G200-T204 WeakPolarHBondContact O-CB 3.38Å; G200-T204 PolarHBondContact O-N 2.92Å; G200-T204 PolarHBondContact O-OG1 3.06Å; G200-T204 VanDerWaalsContact O-OG1 3.12Å
201V94.2Very high92.7Very high35 Ų3577 Ų7721%0.21237%0.373CS..Hα-helixtrans-53.7-50.4-167-179.30000113.7R203 L205 K217 V220 V224V201-R203 PolarHBondContact O-N 3.03Å; V201-L205 VanDerWaalsContact O-CB 3.31Å; V201-L205 WeakPolarHBondContact O-CB 3.28Å; V201-L205 PolarHBondContact O-N 2.99Å; V201-K217 HydrophobicContact CG1-CG 4.21Å; V201-V220 HydrophobicContact CG1-CB 4.42Å; V201-V220 HydrophobicContact CG1-CG1 4.12Å; V201-V220 WeakPolarHBondContact O-CG1 3.48Å; V201-V224 HydrophobicContact CG2-CB 3.95Å; V201-V224 HydrophobicContact CG2-CG1 3.96Å; V201-V224 HydrophobicContact CG2-CG2 4.28Å
202R93.9Very high92.4Very high206 Ų20670.9 Ų70.978%0.77735%0.348SS*.Hα-helixtrans-65.2-43.7-174.5-79.6-177.3170.6158.7-1.9112.3G200 L205 Y206G200-R202 PolarHBondContact O-N 2.88Å; R202-L205 PolarHBondContact O-N 2.88Å; R202-Y206 PolarHBondContact O-N 2.86Å
203R93.2Very high92.1Very high152 Ų15272.7 Ų72.757%0.57436%0.361SS*.Hα-helixtrans-78.8-34.6-176.4-173.6165.4-178.697.9-3.2111.2P199 G200 V201 Y206 F207P199-R203 HydrophobicContact CB-CB 3.82Å; P199-R203 HydrophobicContact CB-CG 3.68Å; P199-R203 HydrophobicContact CG-CB 4.18Å; P199-R203 HydrophobicContact CG-CG 4.1Å; G200-R203 PolarHBondContact O-N 2.81Å; V201-R203 PolarHBondContact O-N 3.03Å; R203-Y206 WeakPolarHBondContact O-CB 3.39Å; R203-Y206 PolarHBondContact O-N 2.79Å; R203-F207 HydrophobicContact CG-CD2 4.31Å; R203-F207 HydrophobicContact CG-CE2 3.68Å; R203-F207 HydrophobicContact CG-CZ 4.16Å; R203-F207 WeakPolarHBondContact O-CD2 3.39Å; R203-F207 PolarHBondContact O-N 3.34Å; R203-F207 VanDerWaalsContact O-N 3.13Å
204T94.5Very high91.8Very high0 Ų076.3 Ų76.30%038%0.383CS..Hα-helixtrans-60.1-45.6167.4-63.50000111.2I189 H193 P199 G200 Y206 F207 A208 V220I189-T204 HydrophobicContact CG2-CG2 4.08Å; H193-T204 HydrophobicContact CB-CG2 3.81Å; H193-T204 PolarHBondContact ND1-OG1 3.19Å; P199-T204 WeakPolarHBondContact CG-OG1 3.47Å; G200-T204 WeakPolarHBondContact O-CB 3.38Å; G200-T204 PolarHBondContact O-N 2.92Å; G200-T204 PolarHBondContact O-OG1 3.06Å; G200-T204 VanDerWaalsContact O-OG1 3.12Å; T204-Y206 VanDerWaalsContact C-N 3.29Å; T204-Y206 PolarHBondContact O-N 2.86Å; T204-F207 PolarHBondContact O-N 2.82Å; T204-A208 VanDerWaalsContact O-CB 3.25Å; T204-A208 WeakPolarHBondContact O-CB 3.44Å; T204-A208 PolarHBondContact O-N 2.76Å; T204-V220 HydrophobicContact CG2-CG1 3.62Å
205L96Very high91.6Very high28 Ų2871.7 Ų71.715%0.14736%0.362CS..Hα-helixtrans-59.2-41.2176.3177.967000112V201 R202 F207 A208 K209 K217 V220V201-L205 VanDerWaalsContact O-CB 3.31Å; V201-L205 WeakPolarHBondContact O-CB 3.28Å; V201-L205 PolarHBondContact O-N 2.99Å; R202-L205 PolarHBondContact O-N 2.88Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.39Å; L205-A208 PolarHBondContact O-N 3.1Å; L205-K209 HydrophobicContact CD1-CD 4.31Å; L205-K209 HydrophobicContact CD1-CG 4.03Å; L205-K209 HydrophobicContact CG-CD 4.39Å; L205-K209 HydrophobicContact CG-CG 4.38Å; L205-K209 WeakPolarHBondContact O-CB 3.3Å; L205-K209 WeakPolarHBondContact O-CG 3.09Å; L205-K209 PolarHBondContact O-N 3.46Å; L205-K217 HydrophobicContact CD2-CB 3.86Å; L205-K217 HydrophobicContact CD2-CG 4.26Å; L205-V220 HydrophobicContact CB-CB 4.39Å; L205-V220 HydrophobicContact CB-CG1 4.31Å; L205-V220 HydrophobicContact CB-CG2 4.1Å; L205-V220 HydrophobicContact CD1-CG2 3.74Å
206Y94.7Very high91.6Very high126 Ų12671 Ų7149%0.49435%0.348SS..Hα-helixtrans-58.5-45.2176.3174.9-98.4000112.3R202 R203 T204 R210R202-Y206 PolarHBondContact O-N 2.86Å; R203-Y206 WeakPolarHBondContact O-CB 3.39Å; R203-Y206 PolarHBondContact O-N 2.79Å; T204-Y206 VanDerWaalsContact C-N 3.29Å; T204-Y206 PolarHBondContact O-N 2.86Å; Y206-R210 PolarHBondContact OH-NH2 2.93Å
207F94Very high91.8Very high48 Ų4874.9 Ų74.921%0.21136%0.357CS..Hα-helixtrans-69.8-42.9176-63.8-47.5000112I192 A196 P199 R203 T204 L205 K209 R210 Y211I192-F207 HydrophobicContact CG2-CB 3.55Å; A196-F207 HydrophobicContact CB-CD2 3.74Å; A196-F207 HydrophobicContact CB-CE2 3.81Å; P199-F207 HydrophobicContact CG-CD2 4.43Å; P199-F207 HydrophobicContact CG-CE2 4.3Å; R203-F207 HydrophobicContact CG-CD2 4.31Å; R203-F207 HydrophobicContact CG-CE2 3.68Å; R203-F207 HydrophobicContact CG-CZ 4.16Å; R203-F207 WeakPolarHBondContact O-CD2 3.39Å; R203-F207 PolarHBondContact O-N 3.34Å; R203-F207 VanDerWaalsContact O-N 3.13Å; T204-F207 PolarHBondContact O-N 2.82Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.39Å; F207-K209 VanDerWaalsContact C-N 3.31Å; F207-K209 PolarHBondContact O-N 2.79Å; F207-R210 WeakPolarHBondContact O-CB 3.29Å; F207-R210 PolarHBondContact O-N 3.16Å; F207-Y211 WeakPolarHBondContact O-CD2 3.29Å
208A93Very high92Very high0 Ų082.5 Ų82.50%037%0.369CS..Hα-helixtrans-59.3-41.8-179.800000112.1I192 T204 L205 R210 Y211 D212 L215I192-A208 HydrophobicContact CD1-CB 4.19Å; T204-A208 VanDerWaalsContact O-CB 3.25Å; T204-A208 WeakPolarHBondContact O-CB 3.44Å; T204-A208 PolarHBondContact O-N 2.76Å; L205-A208 PolarHBondContact O-N 3.1Å; A208-R210 PolarHBondContact O-N 3Å; A208-R210 VanDerWaalsContact O-N 3.13Å; A208-Y211 PolarHBondContact O-N 3Å; A208-D212 PolarHBondContact O-N 2.77Å; A208-L215 HydrophobicContact CB-CD1 3.62Å
209K92.5Very high92.2Very high101 Ų10180.7 Ų80.744%0.43936%0.362SS..Hα-helixtrans-63.8-15.9176.8-79.1-165.3169.2-138.70115.3L205 F207 D212 L215L205-K209 HydrophobicContact CD1-CD 4.31Å; L205-K209 HydrophobicContact CD1-CG 4.03Å; L205-K209 HydrophobicContact CG-CD 4.39Å; L205-K209 HydrophobicContact CG-CG 4.38Å; L205-K209 WeakPolarHBondContact O-CB 3.3Å; L205-K209 WeakPolarHBondContact O-CG 3.09Å; L205-K209 PolarHBondContact O-N 3.46Å; F207-K209 VanDerWaalsContact C-N 3.31Å; F207-K209 PolarHBondContact O-N 2.79Å; K209-D212 WeakPolarHBondContact CA-O 3.28Å; K209-L215 VanDerWaalsContact CE-O 3.29Å; K209-L215 WeakPolarHBondContact CE-O 3.33Å
210R92.1Very high92.5Very high169 Ų16978.8 Ų78.864%0.63835%0.35SS*.Hα-helixtrans-77.6-24.3172.7-63.7-177.4175.8-159.1-1.2112.7Y206 F207 A208Y206-R210 PolarHBondContact OH-NH2 2.93Å; F207-R210 WeakPolarHBondContact O-CB 3.29Å; F207-R210 PolarHBondContact O-N 3.16Å; A208-R210 PolarHBondContact O-N 3Å; A208-R210 VanDerWaalsContact O-N 3.13Å
211Y89Confident92.8Very high172 Ų17280 Ų8068%0.67536%0.355SS*.Hα-helixtrans-95.6-43.1176.8-66.3-89.4000111I192 F207 A208I192-Y211 HydrophobicContact CD1-CD2 3.46Å; I192-Y211 VanDerWaalsContact CD1-CD2 3.46Å; I192-Y211 HydrophobicContact CD1-CE2 4.03Å; I192-Y211 HydrophobicContact CD1-CG 4.02Å; I192-Y211 HydrophobicContact CG1-CD2 4.27Å; I192-Y211 HydrophobicContact CG1-CE2 4.36Å; F207-Y211 WeakPolarHBondContact O-CD2 3.29Å; A208-Y211 PolarHBondContact O-N 3Å
212D89.1Confident92.8Very high30 Ų3082.6 Ų82.616%0.1636%0.361CS..  trans-139.7101.4176.8177.14000110L188 A208 K209 T214 L215L188-D212 HydrophobicContact CD2-CB 4.27Å; A208-D212 PolarHBondContact O-N 2.77Å; K209-D212 WeakPolarHBondContact CA-O 3.28Å; D212-T214 VanDerWaalsContact CG-OG1 3.23Å; D212-T214 PolarHBondContact O-N 3.07Å; D212-T214 VanDerWaalsContact OD1-CB 3.28Å; D212-T214 WeakPolarHBondContact OD1-CB 3.45Å; D212-T214 WeakPolarHBondContact OD1-CG2 3.41Å; D212-T214 PolarHBondContact OD1-N 3.13Å; D212-T214 PolarHBondContact OD1-OG1 3.37Å; D212-T214 PolarHBondContact OD2-OG1 3.47Å; D212-T214 VanDerWaalsContact OD2-OG1 3.12Å; D212-L215 HydrophobicContact CB-CD1 3.89Å; D212-L215 HydrophobicContact CB-CD2 4.48Å; D212-L215 HydrophobicContact CB-CG 3.78Å; D212-L215 WeakPolarHBondContact O-CB 3.14Å; D212-L215 WeakPolarHBondContact O-CG 3.3Å; D212-L215 PolarHBondContact O-N 3.18Å; D212-L215 WeakPolarHBondContact OD2-CD2 3.35Å
213P89.4Confident92.8Very high55 Ų5573.3 Ų73.336%0.35733%0.327SS..THydrogen-bonded Turntrans-62.8-18.3178.8-21.832.1000114.7L172 L215L172-P213 HydrophobicContact CD1-CB 3.52Å; L172-P213 HydrophobicContact CD1-CG 3.48Å; L172-P213 VanDerWaalsContact CD1-CG 3.48Å; P213-L215 PolarHBondContact O-N 3.13Å
214T88.2Confident92.8Very high77 Ų7766.8 Ų66.847%0.47230%0.304SS..THydrogen-bonded Turntrans-75.4-14.5-179.575.90000112.8L172 D212 T216L172-T214 HydrophobicContact CD1-CG2 4.11Å; L172-T214 HydrophobicContact CD2-CG2 4.06Å; D212-T214 VanDerWaalsContact CG-OG1 3.23Å; D212-T214 PolarHBondContact O-N 3.07Å; D212-T214 VanDerWaalsContact OD1-CB 3.28Å; D212-T214 WeakPolarHBondContact OD1-CB 3.45Å; D212-T214 WeakPolarHBondContact OD1-CG2 3.41Å; D212-T214 PolarHBondContact OD1-N 3.13Å; D212-T214 PolarHBondContact OD1-OG1 3.37Å; D212-T214 PolarHBondContact OD2-OG1 3.47Å; D212-T214 VanDerWaalsContact OD2-OG1 3.12Å; T214-T216 PolarHBondContact O-N 2.91Å
215L89.8Confident92.6Very high4 Ų469.7 Ų69.72%0.02132%0.324CS..  trans-61.8130.4-179.6-63.3178.8000112.2N185 L188 I189 A208 K209 D212 P213N185-L215 HydrophobicContact CB-CD2 3.59Å; N185-L215 WeakPolarHBondContact ND2-CD2 3.43Å; L188-L215 HydrophobicContact CD2-CD1 4.41Å; I189-L215 HydrophobicContact CD1-CD2 4.24Å; I189-L215 HydrophobicContact CG1-CD1 3.98Å; I189-L215 HydrophobicContact CG1-CD2 4.44Å; A208-L215 HydrophobicContact CB-CD1 3.62Å; K209-L215 VanDerWaalsContact CE-O 3.29Å; K209-L215 WeakPolarHBondContact CE-O 3.33Å; D212-L215 HydrophobicContact CB-CD1 3.89Å; D212-L215 HydrophobicContact CB-CD2 4.48Å; D212-L215 HydrophobicContact CB-CG 3.78Å; D212-L215 WeakPolarHBondContact O-CB 3.14Å; D212-L215 WeakPolarHBondContact O-CG 3.3Å; D212-L215 PolarHBondContact O-N 3.18Å; D212-L215 WeakPolarHBondContact OD2-CD2 3.35Å; P213-L215 PolarHBondContact O-N 3.13Å
216T91.7Very high92.5Very high78 Ų7874.1 Ų74.148%0.47934%0.344SS..  trans-95.2153.7-17770.40000111.6T214 R218 A219 V220T214-T216 PolarHBondContact O-N 2.91Å; T216-R218 PolarHBondContact O-N 2.99Å; T216-A219 PolarHBondContact O-N 2.65Å; T216-A219 PolarHBondContact OG1-N 3.07Å; T216-V220 PolarHBondContact O-N 3.3Å
217K95Very high92.5Very high122 Ų12268.7 Ų68.753%0.5332%0.324SS..Hα-helixtrans-56.8-33.1172.2-173.6-174173.8-164.10112.1V201 L205 S221V201-K217 HydrophobicContact CG1-CG 4.21Å; L205-K217 HydrophobicContact CD2-CB 3.86Å; L205-K217 HydrophobicContact CD2-CG 4.26Å; K217-S221 VanDerWaalsContact O-CB 3.3Å; K217-S221 WeakPolarHBondContact O-CB 3.36Å; K217-S221 PolarHBondContact O-N 3.35Å
218R94.4Very high92.3Very high215 Ų21572.2 Ų72.281%0.81135%0.345SS*.Hα-helixtrans-65.2-47.5179.8-70.4-177.2-177.2160.30.2111.5T216 V220 S221 R222T216-R218 PolarHBondContact O-N 2.99Å; R218-V220 PolarHBondContact O-N 2.91Å; R218-S221 PolarHBondContact O-N 2.9Å; R218-R222 PolarHBondContact O-N 2.87Å
219A93.2Very high92Very high11 Ų1176.6 Ų76.69%0.09137%0.368CS..Hα-helixtrans-59.8-46.9176.400000111.4I189 T216 S221 R222 V223I189-A219 HydrophobicContact CD1-CB 3.8Å; T216-A219 PolarHBondContact O-N 2.65Å; T216-A219 PolarHBondContact OG1-N 3.07Å; A219-S221 VanDerWaalsContact C-N 3.33Å; A219-S221 PolarHBondContact O-N 3.34Å; A219-R222 WeakPolarHBondContact O-CB 3.42Å; A219-R222 PolarHBondContact O-N 2.74Å; A219-V223 PolarHBondContact O-N 3.48Å; A219-V223 VanDerWaalsContact O-N 3.11Å
220V95Very high91.7Very high0 Ų073.1 Ų73.10%036%0.356CS..Hα-helixtrans-63.5-39.8177.5-178.50000112.2I189 V201 T204 L205 T216 R218 R222 V223 V224I189-V220 HydrophobicContact CD1-CG2 3.97Å; I189-V220 HydrophobicContact CG1-CG2 4.21Å; I189-V220 HydrophobicContact CG2-CB 4.31Å; I189-V220 HydrophobicContact CG2-CG1 4.19Å; I189-V220 HydrophobicContact CG2-CG2 4.05Å; V201-V220 HydrophobicContact CG1-CB 4.42Å; V201-V220 HydrophobicContact CG1-CG1 4.12Å; V201-V220 WeakPolarHBondContact O-CG1 3.48Å; T204-V220 HydrophobicContact CG2-CG1 3.62Å; L205-V220 HydrophobicContact CB-CB 4.39Å; L205-V220 HydrophobicContact CB-CG1 4.31Å; L205-V220 HydrophobicContact CB-CG2 4.1Å; L205-V220 HydrophobicContact CD1-CG2 3.74Å; T216-V220 PolarHBondContact O-N 3.3Å; R218-V220 PolarHBondContact O-N 2.91Å; V220-R222 VanDerWaalsContact C-N 3.3Å; V220-R222 PolarHBondContact O-N 3.29Å; V220-V223 PolarHBondContact O-N 3.31Å; V220-V224 HydrophobicContact CG1-CG2 4.15Å; V220-V224 WeakPolarHBondContact O-CB 3.27Å; V220-V224 VanDerWaalsContact O-CG2 3.24Å; V220-V224 WeakPolarHBondContact O-CG2 3.31Å; V220-V224 PolarHBondContact O-N 3.5Å
221S95.4Very high91.3Very high52 Ų5271 Ų7136%0.36435%0.353SS..Hα-helixtrans-61-40.8177.2-164.10000111.9K217 R218 A219 S225K217-S221 VanDerWaalsContact O-CB 3.3Å; K217-S221 WeakPolarHBondContact O-CB 3.36Å; K217-S221 PolarHBondContact O-N 3.35Å; R218-S221 PolarHBondContact O-N 2.9Å; A219-S221 VanDerWaalsContact C-N 3.33Å; A219-S221 PolarHBondContact O-N 3.34Å; S221-S225 WeakPolarHBondContact O-CB 3.26Å; S221-S225 PolarHBondContact O-N 2.81Å; S221-S225 PolarHBondContact O-OG 2.7Å; S221-S225 VanDerWaalsContact O-OG 3.06Å
222R94.2Very high91Very high88 Ų8867.1 Ų67.133%0.33235%0.352SS..Hα-helixtrans-62.4-53.7177.1178.5176.759.2-120.9-2.7111.5D186 R218 A219 V220 V224 S225 E226D186-R222 VanDerWaalsContact CG-NH2 3.32Å; D186-R222 IonicContact OD1-CZ 3.63Å; D186-R222 IonicContact OD1-NE 3.37Å; D186-R222 IonicContact OD1-NH2 3.3Å; D186-R222 PolarHBondContact OD1-NH2 3.43Å; D186-R222 IonicContact OD2-CZ 3.47Å; D186-R222 IonicContact OD2-NE 2.71Å; D186-R222 PolarHBondContact OD2-NE 3.21Å; D186-R222 IonicContact OD2-NH2 2.74Å; D186-R222 PolarHBondContact OD2-NH2 3.22Å; R218-R222 PolarHBondContact O-N 2.87Å; A219-R222 WeakPolarHBondContact O-CB 3.42Å; A219-R222 PolarHBondContact O-N 2.74Å; V220-R222 VanDerWaalsContact C-N 3.3Å; V220-R222 PolarHBondContact O-N 3.29Å; R222-V224 VanDerWaalsContact C-N 3.3Å; R222-V224 PolarHBondContact O-N 2.94Å; R222-S225 WeakPolarHBondContact CA-OG 3.37Å; R222-S225 PolarHBondContact O-N 3.01Å; R222-S225 PolarHBondContact O-OG 3.49Å; R222-E226 WeakPolarHBondContact CG-OE1 3.43Å; R222-E226 WeakPolarHBondContact O-CG 3.39Å; R222-E226 PolarHBondContact O-N 3.02Å
223V94.9Very high90.2Very high12 Ų1271 Ų717%0.07337%0.371CS..Hα-helixtrans-59.7-40.4-179.71760000112D186 I189 A190 A219 V220 E226 C227D186-V223 HydrophobicContact CB-CG2 3.64Å; I189-V223 HydrophobicContact CB-CB 4.33Å; I189-V223 HydrophobicContact CB-CG1 4.24Å; I189-V223 HydrophobicContact CB-CG2 4.07Å; I189-V223 HydrophobicContact CD1-CG2 4.3Å; I189-V223 HydrophobicContact CG2-CB 3.68Å; I189-V223 HydrophobicContact CG2-CG1 3.73Å; I189-V223 HydrophobicContact CG2-CG2 3.92Å; A190-V223 HydrophobicContact CB-CG1 3.85Å; A219-V223 PolarHBondContact O-N 3.48Å; A219-V223 VanDerWaalsContact O-N 3.11Å; V220-V223 PolarHBondContact O-N 3.31Å; V223-E226 PolarHBondContact O-N 3.04Å; V223-C227 PolarHBondContact O-N 3.06Å
224V92.9Very high89Confident15 Ų1575.2 Ų75.29%0.09139%0.39CS..Hα-helixtrans-70.3-36.1177.1175.60000111.6V201 V220 R222 E226 C227V201-V224 HydrophobicContact CG2-CB 3.95Å; V201-V224 HydrophobicContact CG2-CG1 3.96Å; V201-V224 HydrophobicContact CG2-CG2 4.28Å; V220-V224 HydrophobicContact CG1-CG2 4.15Å; V220-V224 WeakPolarHBondContact O-CB 3.27Å; V220-V224 VanDerWaalsContact O-CG2 3.24Å; V220-V224 WeakPolarHBondContact O-CG2 3.31Å; V220-V224 PolarHBondContact O-N 3.5Å; R222-V224 VanDerWaalsContact C-N 3.3Å; R222-V224 PolarHBondContact O-N 2.94Å; V224-E226 VanDerWaalsContact C-N 3.26Å; V224-E226 PolarHBondContact O-N 3.39Å; V224-C227 WeakPolarHBondContact O-CB 3.25Å; V224-C227 PolarHBondContact O-N 3.27Å
225S91.3Very high88Confident60 Ų6076.9 Ų76.942%0.4240%0.403SS..Hα-helixtrans-69.2-24.1174.458.70000113.2S221 R222 Q231S221-S225 WeakPolarHBondContact O-CB 3.26Å; S221-S225 PolarHBondContact O-N 2.81Å; S221-S225 PolarHBondContact O-OG 2.7Å; S221-S225 VanDerWaalsContact O-OG 3.06Å; R222-S225 WeakPolarHBondContact CA-OG 3.37Å; R222-S225 PolarHBondContact O-N 3.01Å; R222-S225 PolarHBondContact O-OG 3.49Å; S225-Q231 WeakPolarHBondContact O-CG 3.34Å; S225-Q231 PolarHBondContact O-NE2 3.05Å
226E93.2Very high86.5Confident122 Ų12279.9 Ų79.957%0.5743%0.428SS*.THydrogen-bonded Turntrans-90.3-4.1176.1-69167.3-169.800112.7R222 V223 V224 N228R222-E226 WeakPolarHBondContact CG-OE1 3.43Å; R222-E226 WeakPolarHBondContact O-CG 3.39Å; R222-E226 PolarHBondContact O-N 3.02Å; V223-E226 PolarHBondContact O-N 3.04Å; V224-E226 VanDerWaalsContact C-N 3.26Å; V224-E226 PolarHBondContact O-N 3.39Å; E226-N228 PolarHBondContact O-N 2.92Å
227C94.1Very high85Confident11 Ų1182 Ų827%0.07444%0.443CS..  trans-76.7113.2-179.9-177.10000111.3H198 V223 V224 I229 C230 Q231H198-C227 PolarHBondContact CE1-SG 3.28Å; H198-C227 PolarHBondContact ND1-SG 3.08Å; V223-C227 PolarHBondContact O-N 3.06Å; V224-C227 WeakPolarHBondContact O-CB 3.25Å; V224-C227 PolarHBondContact O-N 3.27Å; C227-I229 VanDerWaalsContact C-N 3.27Å; C227-I229 PolarHBondContact O-N 3.48Å; C227-C230 HydrophobicContact CB-CB 4.11Å; C227-C230 PolarHBondContact O-N 2.96Å; C227-Q231 WeakPolarHBondContact O-CG 3.49Å; C227-Q231 PolarHBondContact O-N 3.11Å
228N90.9Very high83.4Confident122 Ų12278.6 Ų78.665%0.65244%0.438SS*.Hα-helixtrans-54.1-38.9-179.8-66.5-18.4000113.8E226 C230 Q231 S232E226-N228 PolarHBondContact O-N 2.92Å; N228-C230 VanDerWaalsContact C-N 3.33Å; N228-Q231 PolarHBondContact O-N 3.22Å; N228-S232 PolarHBondContact O-N 3.34Å; N228-S232 PolarHBondContact O-OG 3.43Å
229I84.9Confident81.7Confident92 Ų9277.8 Ų77.847%0.47244%0.44SS..Hα-helixtrans-68.2-35.1179.1-63.2168.7000111H198 C227 S232 I233H198-I229 WeakPolarHBondContact NE2-CD1 3.45Å; C227-I229 VanDerWaalsContact C-N 3.27Å; C227-I229 PolarHBondContact O-N 3.48Å; I229-S232 PolarHBondContact O-OG 2.87Å; I229-I233 WeakPolarHBondContact O-CG1 3.44Å
230C86.9Confident80.1Confident29 Ų2986.7 Ų86.720%0.19647%0.471CS..Hα-helixtrans-77.1-34.7175.7-68.50000112H193 C227 N228 S232 I233H193-C230 VanDerWaalsContact CE1-SG 3.53Å; H193-C230 PolarHBondContact NE2-SG 3.19Å; C227-C230 HydrophobicContact CB-CB 4.11Å; C227-C230 PolarHBondContact O-N 2.96Å; N228-C230 VanDerWaalsContact C-N 3.33Å; C230-S232 VanDerWaalsContact C-N 3.29Å; C230-I233 PolarHBondContact O-N 3.36Å
231Q83.7Confident78.5Confident123 Ų12394.9 Ų94.958%0.57551%0.51SS*.Hα-helixtrans-68.7-27.5176.3-74.4-66.5-29.900112.8S225 C227 N228 I233S225-Q231 WeakPolarHBondContact O-CG 3.34Å; S225-Q231 PolarHBondContact O-NE2 3.05Å; C227-Q231 WeakPolarHBondContact O-CG 3.49Å; C227-Q231 PolarHBondContact O-N 3.11Å; N228-Q231 PolarHBondContact O-N 3.22Å; Q231-I233 PolarHBondContact O-N 3.43Å
232S82Confident77Confident92 Ų92104.8 Ų104.864%0.64354%0.539SS*.THydrogen-bonded Turntrans-76.8-7.3175.568.40000113.9N228 I229 C230N228-S232 PolarHBondContact O-N 3.34Å; N228-S232 PolarHBondContact O-OG 3.43Å; I229-S232 PolarHBondContact O-OG 2.87Å; C230-S232 VanDerWaalsContact C-N 3.29Å
233I74Confident75.9Confident112 Ų112103.7 Ų103.757%0.57456%0.555SS**SBendtrans-96.9111.2176.4-60.6169.4000107.9I229 C230 Q231I229-I233 WeakPolarHBondContact O-CG1 3.44Å; C230-I233 PolarHBondContact O-N 3.36Å; Q231-I233 PolarHBondContact O-N 3.43Å
234D63Low75.1Confident142 Ų142108.2 Ų108.276%0.75958%0.583SS**PPolyproline II helixtrans-55.8133.4173.6-71.7-35.7000110.2A236D234-A236 PolarHBondContact O-N 3Å
235P66.7Low74.3Confident112 Ų112112.5 Ų112.573%0.72761%0.605SS**PPolyproline II helixtrans-56.1139.1169.924.3-31.6000108.6
236A59.6Low74Confident67 Ų67114 Ų11455%0.55461%0.608SS**PPolyproline II helixtrans-48.4120.6-176.500000110.4D234 A238D234-A236 PolarHBondContact O-N 3Å; A236-A238 PolarHBondContact O-N 2.76Å; A236-A238 VanDerWaalsContact O-N 3.07Å
237P60.7Low73.8Confident123 Ų123109.5 Ų109.580%0.79959%0.589SS**SBendtrans-65-22.7-163.820.3-32.6000113.4
238A60Low73.6Confident50 Ų50118.7 Ų118.741%0.41363%0.628SS.*SBendtrans-114.3127.4174.300000109.6A236 W240A236-A238 PolarHBondContact O-N 2.76Å; A236-A238 VanDerWaalsContact O-N 3.07Å; A238-W240 PolarHBondContact O-N 2.9Å
239K59.1Low73.7Confident198 Ų198118.6 Ų118.686%0.86162%0.623SS**PPolyproline II helixtrans-63.3117.8158-77.3177.7-179.5169.50106.4H241K239-H241 PolarHBondContact O-N 2.86Å; K239-H241 VanDerWaalsContact O-N 3.16Å
240W60Low74.1Confident198 Ų198118.3 Ų118.375%0.7563%0.626SS**PPolyproline II helixtrans-50.4123.7171.8-59.885.7000109.1A238 R242A238-W240 PolarHBondContact O-N 2.9Å; W240-R242 PolarHBondContact O-N 2.86Å
241H60.9Low74.1Confident173 Ų173118.8 Ų118.880%0.80162%0.623SS**PPolyproline II helixtrans-56.5130.3167-65.4-81.5000107.3K239 G243K239-H241 PolarHBondContact O-N 2.86Å; K239-H241 VanDerWaalsContact O-N 3.16Å; H241-G243 VanDerWaalsContact C-N 3.29Å; H241-G243 PolarHBondContact O-N 3.22Å
242R63.4Low74.3Confident259 Ų259115.4 Ų115.498%0.97761%0.608SS**  trans-68.994.5176.7-73.7-169.7-172.9-172.55.2107.9W240W240-R242 PolarHBondContact O-N 2.86Å
243G71.4Confident74.6Confident66 Ų66113.7 Ų113.768%0.6859%0.587SS**  trans-93.5160169.700000111.5H241H241-G243 VanDerWaalsContact C-N 3.29Å; H241-G243 PolarHBondContact O-N 3.22Å
244T78.5Confident75.3Confident107 Ų107108.4 Ų108.466%0.65656%0.56SS**  trans-100.9130.2167.1-57.80000107.7D246T244-D246 VanDerWaalsContact C-N 3.26Å; T244-D246 HydrophobicContact CG2-CB 3.7Å; T244-D246 WeakPolarHBondContact CG2-OD2 3.4Å
245L76.6Confident76.7Confident105 Ų105103.4 Ų103.455%0.5554%0.536SS..  trans-77.9-17.2177.3-63.9-179.2000112.4R253 L309L245-R253 PolarHBondContact O-NH1 2.84Å; L245-R253 VanDerWaalsContact O-NH1 3.11Å; L245-L309 HydrophobicContact CD1-CD2 4.12Å; L245-L309 HydrophobicContact CD2-CD2 3.76Å; L245-L309 HydrophobicContact CG-CD2 4.44Å
246D84.7Confident77.8Confident92 Ų9298.3 Ų98.349%0.49250%0.503SS..  trans-64.1144.1-178.1-55.8-56.3000112.1T244 C272 R276T244-D246 VanDerWaalsContact C-N 3.26Å; T244-D246 HydrophobicContact CG2-CB 3.7Å; T244-D246 WeakPolarHBondContact CG2-OD2 3.4Å; D246-C272 WeakPolarHBondContact CA-O 3.16Å; D246-R276 IonicContact OD1-CZ 2.65Å; D246-R276 IonicContact OD1-NH1 3.85Å; D246-R276 PolarHBondContact OD1-NH1 3.14Å; D246-R276 IonicContact OD1-NH2 3.36Å
247V87.6Confident79.3Confident26 Ų2698.5 Ų98.516%0.15850%0.495CS..  trans-121.7156173.8-660000109.2H252 R253 C272 G273V247-H252 HydrophobicContact CG2-CB 3.97Å; V247-R253 HydrophobicContact CB-CB 4.46Å; V247-R253 HydrophobicContact CG1-CB 3.76Å; V247-R253 HydrophobicContact CG2-CB 3.84Å; V247-C272 HydrophobicContact CG2-CB 4.17Å; V247-C272 PolarHBondContact N-O 3.43Å; V247-G273 WeakPolarHBondContact O-CA 3.23Å
248K91.6Very high80.6Confident205 Ų20593.3 Ų93.389%0.89146%0.461SS*.SBendtrans-73.2-32-174.9-68.6-178.8-179.3173.90112.9P274K248-P274 WeakPolarHBondContact O-CD 3.47Å
249E91.9Very high82Confident119 Ų11993 Ų9356%0.55645%0.454SS*.SBendtrans-98.3138.4-172.3-71.1171.5-17300111.4H252 G273E249-H252 HydrophobicContact CB-CB 3.72Å; E249-H252 WeakPolarHBondContact O-CB 3.43Å; E249-H252 PolarHBondContact O-N 3.02Å; E249-H252 IonicContact OE2-CE1 2.92Å; E249-H252 IonicContact OE2-CG 2.96Å; E249-H252 IonicContact OE2-ND1 2.87Å; E249-H252 PolarHBondContact OE2-ND1 3.38Å; E249-G273 WeakPolarHBondContact O-CA 3.5Å
250T92.7Very high83.4Confident86 Ų8689.5 Ų89.553%0.52844%0.44SS..THydrogen-bonded Turntrans-63.4135.7172.4-64.60000109.7H252T250-H252 PolarHBondContact O-N 2.87Å
251W87.7Confident84.8Confident39 Ų3985.8 Ų85.815%0.14843%0.427CS..THydrogen-bonded Turntrans65.412.3177.2-144.9-106.4000115.2L254 D271 F277 I279 I298 R302 G303 P305W251-L254 HydrophobicContact CD2-CD1 4.44Å; W251-L254 HydrophobicContact CD2-CD2 3.95Å; W251-L254 HydrophobicContact CE3-CD2 3.81Å; W251-L254 HydrophobicContact CH2-CD1 4.15Å; W251-L254 HydrophobicContact CH2-CD2 4.25Å; W251-L254 HydrophobicContact CZ2-CD1 3.77Å; W251-L254 HydrophobicContact CZ2-CD2 4.42Å; W251-L254 HydrophobicContact CZ3-CD2 3.97Å; W251-D271 HydrophobicContact CE3-CB 4.24Å; W251-D271 HydrophobicContact CZ3-CB 4.43Å; W251-D271 VanDerWaalsContact N-CG 3.32Å; W251-D271 PolarHBondContact N-OD1 2.8Å; W251-D271 VanDerWaalsContact N-OD1 3.12Å; W251-D271 PolarHBondContact N-OD2 3.38Å; W251-F277 HydrophobicContact CZ3-CD1 4.37Å; W251-I279 HydrophobicContact CH2-CD1 3.81Å; W251-I298 HydrophobicContact CH2-CG2 4.4Å; W251-I298 HydrophobicContact CZ2-CG2 4.01Å; W251-R302 HydrophobicContact CH2-CB 4.29Å; W251-R302 HydrophobicContact CH2-CG 4.45Å; W251-R302 HydrophobicContact CZ2-CB 3.55Å; W251-R302 HydrophobicContact CZ2-CG 4.16Å; W251-G303 PolarHBondContact NE1-O 2.97Å; W251-P305 WeakPolarHBondContact O-CA 3.36Å; W251-P305 VanDerWaalsContact O-CB 3.29Å; W251-P305 WeakPolarHBondContact O-CB 3.37Å
252H87.3Confident86.3Confident52 Ų5285.7 Ų85.724%0.24142%0.424CS..SBendtrans-73.3-50.6179-175.2109.2000111.5V247 E249 T250 V306 E307V247-H252 HydrophobicContact CG2-CB 3.97Å; E249-H252 HydrophobicContact CB-CB 3.72Å; E249-H252 WeakPolarHBondContact O-CB 3.43Å; E249-H252 PolarHBondContact O-N 3.02Å; E249-H252 IonicContact OE2-CE1 2.92Å; E249-H252 IonicContact OE2-CG 2.96Å; E249-H252 IonicContact OE2-ND1 2.87Å; E249-H252 PolarHBondContact OE2-ND1 3.38Å; T250-H252 PolarHBondContact O-N 2.87Å; H252-V306 WeakPolarHBondContact O-CA 3.48Å; H252-V306 VanDerWaalsContact O-CB 3.3Å; H252-V306 WeakPolarHBondContact O-CB 3.39Å; H252-V306 PolarHBondContact O-N 2.98Å; H252-E307 PolarHBondContact O-N 2.94Å
253R88.6Confident87.4Confident57 Ų5777 Ų7722%0.21542%0.415CS..EExtended strand (participates in β ladder)trans-120.1126.6176.4175-175.9-65.4164.2-2.5109.4L245 V247 C272 E307 L309L245-R253 PolarHBondContact O-NH1 2.84Å; L245-R253 VanDerWaalsContact O-NH1 3.11Å; V247-R253 HydrophobicContact CB-CB 4.46Å; V247-R253 HydrophobicContact CG1-CB 3.76Å; V247-R253 HydrophobicContact CG2-CB 3.84Å; R253-C272 HydrophobicContact CB-CB 3.98Å; R253-C272 HydrophobicContact CG-CB 3.93Å; R253-C272 VanDerWaalsContact O-CB 3.28Å; R253-C272 WeakPolarHBondContact O-CB 3.38Å; R253-C272 PolarHBondContact O-N 3.41Å; R253-E307 WeakPolarHBondContact CA-O 3.42Å; R253-E307 HydrophobicContact CB-CG 3.76Å; R253-E307 HydrophobicContact CG-CG 3.94Å; R253-E307 IonicContact CZ-OE1 2.74Å; R253-E307 IonicContact NE-OE1 3.99Å; R253-E307 PolarHBondContact NE-OE1 2.84Å; R253-E307 IonicContact NH2-OE1 3.19Å; R253-E307 PolarHBondContact NH2-OE1 2.89Å; R253-E307 IonicContact NH2-OE2 2.76Å; R253-L309 HydrophobicContact CG-CB 4.47Å
254L89.9Confident88.4Confident0 Ų082.1 Ų82.10%041%0.414CS..EExtended strand (participates in β ladder)trans-107.4127.2170.9-58.6-175.9000110W251 V269 V270 D271 F299 P305 E307 I308 L309W251-L254 HydrophobicContact CD2-CD1 4.44Å; W251-L254 HydrophobicContact CD2-CD2 3.95Å; W251-L254 HydrophobicContact CE3-CD2 3.81Å; W251-L254 HydrophobicContact CH2-CD1 4.15Å; W251-L254 HydrophobicContact CH2-CD2 4.25Å; W251-L254 HydrophobicContact CZ2-CD1 3.77Å; W251-L254 HydrophobicContact CZ2-CD2 4.42Å; W251-L254 HydrophobicContact CZ3-CD2 3.97Å; L254-V269 HydrophobicContact CB-CG1 3.87Å; L254-V269 HydrophobicContact CD1-CG1 3.81Å; L254-V269 HydrophobicContact CG-CG1 4.3Å; L254-V270 CarbonylContact C-O 3.48Å; L254-V270 WeakPolarHBondContact CA-O 3.25Å; L254-D271 HydrophobicContact CD2-CB 3.94Å; L254-F299 HydrophobicContact CD1-CE1 4.08Å; L254-P305 HydrophobicContact CD1-CB 3.96Å; L254-P305 HydrophobicContact CD1-CG 3.71Å; L254-P305 HydrophobicContact CG-CB 3.76Å; L254-P305 HydrophobicContact CG-CG 3.92Å; L254-E307 PolarHBondContact N-O 3.26Å; L254-I308 CarbonylContact O-C 3.59Å; L254-I308 VanDerWaalsContact O-CA 3.27Å; L254-I308 WeakPolarHBondContact O-CA 3.38Å; L254-L309 PolarHBondContact O-N 3.12Å
255S90.8Very high89Confident38 Ų3878.5 Ų78.527%0.26639%0.392SS..EExtended strand (participates in β ladder)trans-90.1137.6167.3-1790000109.9V269 V270 L309S255-V269 CarbonylContact O-C 3.59Å; S255-V269 WeakPolarHBondContact O-CA 3.35Å; S255-V270 PolarHBondContact N-O 3.1Å; S255-V270 PolarHBondContact O-N 3.34Å; S255-L309 CarbonylContact C-O 3.5Å; S255-L309 VanDerWaalsContact CA-O 3.26Å; S255-L309 WeakPolarHBondContact CA-O 3.45Å
256S90.7Very high89.9Confident4 Ų475.7 Ų75.73%0.02837%0.374CS..EExtended strand (participates in β ladder)trans-136.8144.6-179.3-175.10000112.4L267 T268 F295 L309S256-L267 VanDerWaalsContact OG-CD1 3.23Å; S256-L267 WeakPolarHBondContact OG-CD1 3.16Å; S256-T268 CarbonylContact C-O 3.54Å; S256-T268 WeakPolarHBondContact CA-O 3.23Å; S256-T268 PolarHBondContact OG-O 2.99Å; S256-T268 VanDerWaalsContact OG-O 3.1Å; S256-F295 VanDerWaalsContact OG-CZ 3.3Å; S256-F295 WeakPolarHBondContact OG-CZ 3.46Å; S256-L309 PolarHBondContact N-O 3.44Å
257D90.4Very high90.3Very high72 Ų7271.3 Ų71.339%0.38535%0.351SS..EExtended strand (participates in β ladder)trans-153.5164.8-179.8-178.229.9000110T268D257-T268 PolarHBondContact N-O 3.12Å; D257-T268 PolarHBondContact O-N 3.44Å
258V88.7Confident90.6Very high14 Ų1470.7 Ų70.79%0.08535%0.347CS..EExtended strand (participates in β ladder)trans-98.3100.6169.4177.90000110.9P265 Y266 L283 I291 I315 F316V258-P265 HydrophobicContact CG1-CB 3.92Å; V258-Y266 CarbonylContact C-O 3.53Å; V258-Y266 WeakPolarHBondContact CA-O 3.45Å; V258-L283 HydrophobicContact CG1-CD1 3.91Å; V258-L283 HydrophobicContact CG2-CD1 3.79Å; V258-I291 HydrophobicContact CG2-CD1 3.94Å; V258-I315 HydrophobicContact CB-CD1 4.21Å; V258-I315 HydrophobicContact CG2-CD1 3.35Å; V258-F316 HydrophobicContact CG2-CZ 4.05Å
259T89.8Confident90.6Very high43 Ų4361 Ų6126%0.26431%0.306SS..EExtended strand (participates in β ladder)trans-89.6140.8177.3-49.40000110.9Y266 T268 W280T259-Y266 PolarHBondContact N-O 3.35Å; T259-Y266 PolarHBondContact O-N 2.91Å; T259-T268 VanDerWaalsContact CB-OG1 3.25Å; T259-T268 WeakPolarHBondContact CB-OG1 3.49Å; T259-T268 WeakPolarHBondContact OG1-CB 3.46Å; T259-T268 PolarHBondContact OG1-OG1 3.03Å; T259-W280 HydrophobicContact CG2-CH2 4.08Å; T259-W280 HydrophobicContact CG2-CZ2 4.36Å
260H88.4Confident90.7Very high125 Ų12557.4 Ų57.458%0.57929%0.291SS*.EExtended strand (participates in β ladder)trans-104.2124.6178.1-69.569.5000111R264H260-R264 WeakPolarHBondContact CA-O 3.32Å
261Y89.7Confident90.8Very high120 Ų12053.3 Ų53.347%0.47127%0.266SS..EExtended strand (participates in β ladder)trans-129.7124.5176.3178.8-108.2000110.9G263 R264 Y266 W280Y261-G263 PolarHBondContact O-N 3Å; Y261-R264 PolarHBondContact N-O 3.1Å; Y261-R264 PolarHBondContact O-N 2.84Å; Y261-Y266 HydrophobicContact CD1-CE2 4.49Å; Y261-W280 HydrophobicContact CG-CZ3 4.5Å
262K92.1Very high91Very high171 Ų17151.7 Ų51.774%0.74326%0.261SS*.THydrogen-bonded Turntrans50.142.8-175.1-66.4-179.7171.7172.50112.9R264K262-R264 PolarHBondContact O-N 3.08Å
263G87.1Confident91.2Very high75 Ų7549.3 Ų49.377%0.77325%0.251SS*.THydrogen-bonded Turntrans71.47.3-179.800000115Y261Y261-G263 PolarHBondContact O-N 3Å
264R91.6Very high91.3Very high175 Ų17549.8 Ų49.866%0.6626%0.261SS*.EExtended strand (participates in β ladder)trans-108.8134.1176.4-63.7-177.2179.2-173.7-1.5110.3H260 Y261 K262 Y266H260-R264 WeakPolarHBondContact CA-O 3.32Å; Y261-R264 PolarHBondContact N-O 3.1Å; Y261-R264 PolarHBondContact O-N 2.84Å; K262-R264 PolarHBondContact O-N 3.08Å; R264-Y266 HydrophobicContact CB-CE2 3.83Å; R264-Y266 VanDerWaalsContact O-CD2 3.28Å; R264-Y266 WeakPolarHBondContact O-CD2 3.19Å; R264-Y266 WeakPolarHBondContact O-CE2 3.47Å
265P91.9Very high91.4Very high31 Ų3152.4 Ų52.420%0.20128%0.279CS..EExtended strand (participates in β ladder)trans-78.7142.6176.131.2-32.6000111.2V258 L283V258-P265 HydrophobicContact CG1-CB 3.92Å; P265-L283 HydrophobicContact CB-CB 4.28Å; P265-L283 HydrophobicContact CB-CD1 4.43Å; P265-L283 HydrophobicContact CG-CB 4.1Å; P265-L283 PolarHBondContact O-N 2.72Å
266Y94.7Very high91.5Very high45 Ų4556 Ų5618%0.17629%0.287CS..EExtended strand (participates in β ladder)trans-130.7137.6173.8-66.8-100.9000108.7V258 T259 Y261 R264 T268 W280 R281 P282V258-Y266 CarbonylContact C-O 3.53Å; V258-Y266 WeakPolarHBondContact CA-O 3.45Å; T259-Y266 PolarHBondContact N-O 3.35Å; T259-Y266 PolarHBondContact O-N 2.91Å; Y261-Y266 HydrophobicContact CD1-CE2 4.49Å; R264-Y266 HydrophobicContact CB-CE2 3.83Å; R264-Y266 VanDerWaalsContact O-CD2 3.28Å; R264-Y266 WeakPolarHBondContact O-CD2 3.19Å; R264-Y266 WeakPolarHBondContact O-CE2 3.47Å; Y266-T268 PolarHBondContact O-N 3.04Å; Y266-W280 HydrophobicContact CD1-CB 4.45Å; Y266-W280 HydrophobicContact CD1-CE3 4.43Å; Y266-W280 HydrophobicContact CG-CE3 4.22Å; Y266-R281 CarbonylContact C-O 3.24Å; Y266-R281 VanDerWaalsContact CA-O 3.25Å; Y266-R281 WeakPolarHBondContact CA-O 3.38Å; Y266-P282 VanDerWaalsContact CD1-CA 3.5Å; Y266-P282 HydrophobicContact CD1-CB 3.95Å; Y266-P282 HydrophobicContact CE1-CB 3.67Å; Y266-P282 HydrophobicContact CE1-CG 4.46Å
267L92.3Very high91.6Very high0 Ų060.7 Ų60.70%031%0.307CS..EExtended strand (participates in β ladder)trans-72.4118.5161.3179.764.9000107.3S256 V269 W280 R281 L283 I291 H294 F295 F316S256-L267 VanDerWaalsContact OG-CD1 3.23Å; S256-L267 WeakPolarHBondContact OG-CD1 3.16Å; L267-V269 HydrophobicContact CD2-CG2 4.22Å; L267-V269 HydrophobicContact CG-CG2 4.03Å; L267-W280 CarbonylContact O-C 3.54Å; L267-W280 WeakPolarHBondContact O-CA 3.06Å; L267-R281 HydrophobicContact CB-CB 4.46Å; L267-R281 PolarHBondContact N-O 2.95Å; L267-R281 PolarHBondContact O-N 3.35Å; L267-L283 HydrophobicContact CB-CD1 4.19Å; L267-L283 HydrophobicContact CB-CD2 4.14Å; L267-L283 HydrophobicContact CB-CG 4.17Å; L267-I291 HydrophobicContact CB-CD1 4.46Å; L267-I291 HydrophobicContact CD1-CD1 3.85Å; L267-I291 HydrophobicContact CD1-CG2 4.32Å; L267-H294 HydrophobicContact CD2-CB 3.56Å; L267-F295 HydrophobicContact CD1-CZ 4.22Å; L267-F295 HydrophobicContact CD2-CD1 4.37Å; L267-F295 HydrophobicContact CD2-CE1 4.28Å; L267-F295 HydrophobicContact CD2-CZ 4.44Å; L267-F316 HydrophobicContact CD1-CE1 4.22Å; L267-F316 HydrophobicContact CD1-CZ 4.4Å
268T94.1Very high91.9Very high14 Ų1459.8 Ų59.89%0.08631%0.309CS..EExtended strand (participates in β ladder)trans-103.9123.8175.1-63.30000108.1S256 D257 T259 Y266 V270 I279S256-T268 CarbonylContact C-O 3.54Å; S256-T268 WeakPolarHBondContact CA-O 3.23Å; S256-T268 PolarHBondContact OG-O 2.99Å; S256-T268 VanDerWaalsContact OG-O 3.1Å; D257-T268 PolarHBondContact N-O 3.12Å; D257-T268 PolarHBondContact O-N 3.44Å; T259-T268 VanDerWaalsContact CB-OG1 3.25Å; T259-T268 WeakPolarHBondContact CB-OG1 3.49Å; T259-T268 WeakPolarHBondContact OG1-CB 3.46Å; T259-T268 PolarHBondContact OG1-OG1 3.03Å; Y266-T268 PolarHBondContact O-N 3.04Å; T268-V270 HydrophobicContact CG2-CG2 3.92Å; T268-I279 WeakPolarHBondContact CA-O 3.32Å
269V92.4Very high92.1Very high2 Ų259.8 Ų59.81%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-122.8129.7173.9-174.30000108.4L254 S255 L267 A278 I279 F295 I298L254-V269 HydrophobicContact CB-CG1 3.87Å; L254-V269 HydrophobicContact CD1-CG1 3.81Å; L254-V269 HydrophobicContact CG-CG1 4.3Å; S255-V269 CarbonylContact O-C 3.59Å; S255-V269 WeakPolarHBondContact O-CA 3.35Å; L267-V269 HydrophobicContact CD2-CG2 4.22Å; L267-V269 HydrophobicContact CG-CG2 4.03Å; V269-A278 CarbonylContact O-C 3.59Å; V269-A278 WeakPolarHBondContact O-CA 3.25Å; V269-I279 HydrophobicContact CB-CB 4.49Å; V269-I279 PolarHBondContact N-O 3.19Å; V269-I279 PolarHBondContact O-N 3.3Å; V269-F295 HydrophobicContact CG2-CD1 4.39Å; V269-F295 HydrophobicContact CG2-CE1 3.78Å; V269-I298 HydrophobicContact CG2-CD1 3.92Å
270V94.7Very high92.4Very high42 Ų4263.7 Ų63.726%0.25532%0.319SS..EExtended strand (participates in β ladder)trans-131130.4-177.4-175.60000109.7L254 S255 T268 C272 F277 A278L254-V270 CarbonylContact C-O 3.48Å; L254-V270 WeakPolarHBondContact CA-O 3.25Å; S255-V270 PolarHBondContact N-O 3.1Å; S255-V270 PolarHBondContact O-N 3.34Å; T268-V270 HydrophobicContact CG2-CG2 3.92Å; V270-C272 PolarHBondContact O-N 3.49Å; V270-F277 WeakPolarHBondContact CA-O 3.39Å; V270-A278 HydrophobicContact CG2-CB 4.06Å
271D93.2Very high92.7Very high0 Ų061.2 Ų61.20%030%0.304CS..EExtended strand (participates in β ladder)trans-68.1123.6171.6-174.814.4000111W251 L254 G273 S275 R276 F277W251-D271 HydrophobicContact CE3-CB 4.24Å; W251-D271 HydrophobicContact CZ3-CB 4.43Å; W251-D271 VanDerWaalsContact N-CG 3.32Å; W251-D271 PolarHBondContact N-OD1 2.8Å; W251-D271 VanDerWaalsContact N-OD1 3.12Å; W251-D271 PolarHBondContact N-OD2 3.38Å; L254-D271 HydrophobicContact CD2-CB 3.94Å; D271-G273 VanDerWaalsContact C-N 3.26Å; D271-G273 PolarHBondContact OD1-N 3.27Å; D271-S275 WeakPolarHBondContact CB-OG 3.47Å; D271-S275 WeakPolarHBondContact OD2-CB 3.22Å; D271-S275 PolarHBondContact OD2-OG 3.07Å; D271-R276 WeakPolarHBondContact O-CA 3.35Å; D271-F277 PolarHBondContact N-O 3.45Å
272C92Very high92.9Very high5 Ų559.2 Ų59.23%0.03431%0.306CS..  trans-78.7-12.4174.1-62.50000112.3D246 V247 R253 V270 R276D246-C272 WeakPolarHBondContact CA-O 3.16Å; V247-C272 HydrophobicContact CG2-CB 4.17Å; V247-C272 PolarHBondContact N-O 3.43Å; R253-C272 HydrophobicContact CB-CB 3.98Å; R253-C272 HydrophobicContact CG-CB 3.93Å; R253-C272 VanDerWaalsContact O-CB 3.28Å; R253-C272 WeakPolarHBondContact O-CB 3.38Å; R253-C272 PolarHBondContact O-N 3.41Å; V270-C272 PolarHBondContact O-N 3.49Å; C272-R276 VanDerWaalsContact C-NH1 3.33Å; C272-R276 PolarHBondContact O-NH1 2.89Å
273G91.6Very high92.8Very high3 Ų351.7 Ų51.73%0.03127%0.274CS..SBendtrans-70.9-173.8174.600000114.1V247 E249 D271 S275 R276V247-G273 WeakPolarHBondContact O-CA 3.23Å; E249-G273 WeakPolarHBondContact O-CA 3.5Å; D271-G273 VanDerWaalsContact C-N 3.26Å; D271-G273 PolarHBondContact OD1-N 3.27Å; G273-S275 PolarHBondContact O-N 3.47Å; G273-R276 WeakPolarHBondContact O-CD 3.3Å; G273-R276 PolarHBondContact O-N 3.5Å
274P91.7Very high92.8Very high67 Ų6757 Ų5744%0.43528%0.276SS..THydrogen-bonded Turntrans-65.2-20.6-178.723.5-31.9000114.2K248K248-P274 WeakPolarHBondContact O-CD 3.47Å
275S92.2Very high92.2Very high54 Ų5457.4 Ų57.438%0.37828%0.277SS..THydrogen-bonded Turntrans-67.5-35.3-179.888.20000113D271 G273 F277D271-S275 WeakPolarHBondContact CB-OG 3.47Å; D271-S275 WeakPolarHBondContact OD2-CB 3.22Å; D271-S275 PolarHBondContact OD2-OG 3.07Å; G273-S275 PolarHBondContact O-N 3.47Å; S275-F277 PolarHBondContact O-N 3.46Å; S275-F277 VanDerWaalsContact O-N 3.09Å; S275-F277 WeakPolarHBondContact OG-CB 3.24Å; S275-F277 PolarHBondContact OG-N 3.3Å; S275-F277 VanDerWaalsContact OG-N 3.13Å
276R92.6Very high91.6Very high114 Ų11460 Ų6043%0.4329%0.287SS..  trans53.621.7-173.2-48.6-53.2-65-173.6-4.6113.9D246 D271 C272 G273D246-R276 IonicContact OD1-CZ 2.65Å; D246-R276 IonicContact OD1-NH1 3.85Å; D246-R276 PolarHBondContact OD1-NH1 3.14Å; D246-R276 IonicContact OD1-NH2 3.36Å; D271-R276 WeakPolarHBondContact O-CA 3.35Å; C272-R276 VanDerWaalsContact C-NH1 3.33Å; C272-R276 PolarHBondContact O-NH1 2.89Å; G273-R276 WeakPolarHBondContact O-CD 3.3Å; G273-R276 PolarHBondContact O-N 3.5Å
277F92.7Very high90.7Very high103 Ų10361.1 Ų61.145%0.45230%0.298SS..  trans-65136-176.3-167.4-97.4000110.8W251 V270 D271 S275 I279W251-F277 HydrophobicContact CZ3-CD1 4.37Å; V270-F277 WeakPolarHBondContact CA-O 3.39Å; D271-F277 PolarHBondContact N-O 3.45Å; S275-F277 PolarHBondContact O-N 3.46Å; S275-F277 VanDerWaalsContact O-N 3.09Å; S275-F277 WeakPolarHBondContact OG-CB 3.24Å; S275-F277 PolarHBondContact OG-N 3.3Å; S275-F277 VanDerWaalsContact OG-N 3.13Å; F277-I279 HydrophobicContact CD1-CD1 4.48Å; F277-I279 HydrophobicContact CD1-CG1 4.02Å; F277-I279 HydrophobicContact CE1-CD1 4.24Å; F277-I279 HydrophobicContact CE1-CG1 3.72Å
278A95.6Very high89.9Confident52 Ų5262.6 Ų62.643%0.4331%0.309SS..EExtended strand (participates in β ladder)trans-122.2137.7-175.700000111.5V269 V270V269-A278 CarbonylContact O-C 3.59Å; V269-A278 WeakPolarHBondContact O-CA 3.25Å; V270-A278 HydrophobicContact CG2-CB 4.06Å
279I94.4Very high89Confident15 Ų1564 Ų648%0.07732%0.321CS..EExtended strand (participates in β ladder)trans-123.1130.3178.1-59.6175000108.4W251 T268 V269 F277 R281 I298W251-I279 HydrophobicContact CH2-CD1 3.81Å; T268-I279 WeakPolarHBondContact CA-O 3.32Å; V269-I279 HydrophobicContact CB-CB 4.49Å; V269-I279 PolarHBondContact N-O 3.19Å; V269-I279 PolarHBondContact O-N 3.3Å; F277-I279 HydrophobicContact CD1-CD1 4.48Å; F277-I279 HydrophobicContact CD1-CG1 4.02Å; F277-I279 HydrophobicContact CE1-CD1 4.24Å; F277-I279 HydrophobicContact CE1-CG1 3.72Å; I279-R281 HydrophobicContact CG2-CG 4.13Å; I279-I298 HydrophobicContact CD1-CG1 4.42Å; I279-I298 HydrophobicContact CD1-CG2 3.9Å; I279-I298 HydrophobicContact CG2-CD1 4.03Å; I279-I298 HydrophobicContact CG2-CG1 4.34Å
280W95.8Very high88.6Confident125 Ų12564.4 Ų64.447%0.47333%0.325SS..EExtended strand (participates in β ladder)trans-117.6123.4173.6-74.631.9000108.8T259 Y261 Y266 L267T259-W280 HydrophobicContact CG2-CH2 4.08Å; T259-W280 HydrophobicContact CG2-CZ2 4.36Å; Y261-W280 HydrophobicContact CG-CZ3 4.5Å; Y266-W280 HydrophobicContact CD1-CB 4.45Å; Y266-W280 HydrophobicContact CD1-CE3 4.43Å; Y266-W280 HydrophobicContact CG-CE3 4.22Å; L267-W280 CarbonylContact O-C 3.54Å; L267-W280 WeakPolarHBondContact O-CA 3.06Å
281R94.2Very high88.1Confident73 Ų7362.6 Ų62.628%0.27531%0.313SS..EExtended strand (participates in β ladder)trans-117.7124.6174.7-64.9-67.8-172.6162.93110.1Y266 L267 I279 L283 H294 I298 E301Y266-R281 CarbonylContact C-O 3.24Å; Y266-R281 VanDerWaalsContact CA-O 3.25Å; Y266-R281 WeakPolarHBondContact CA-O 3.38Å; L267-R281 HydrophobicContact CB-CB 4.46Å; L267-R281 PolarHBondContact N-O 2.95Å; L267-R281 PolarHBondContact O-N 3.35Å; I279-R281 HydrophobicContact CG2-CG 4.13Å; R281-L283 PolarHBondContact O-N 3.07Å; R281-H294 WeakPolarHBondContact CB-CD2 3.46Å; R281-I298 HydrophobicContact CG-CD1 4.29Å; R281-E301 IonicContact CZ-OE1 3.86Å; R281-E301 VanDerWaalsContact NH2-CD 3.26Å; R281-E301 IonicContact NH2-OE1 2.76Å; R281-E301 PolarHBondContact NH2-OE1 3.47Å; R281-E301 IonicContact NH2-OE2 3Å; R281-E301 PolarHBondContact NH2-OE2 3.43Å
282P94.7Very high87.6Confident78 Ų7863.4 Ų63.451%0.50632%0.318SS..EExtended strand (participates in β ladder)trans-65.6127.4179.125.9-32.4000110.6Y266Y266-P282 VanDerWaalsContact CD1-CA 3.5Å; Y266-P282 HydrophobicContact CD1-CB 3.95Å; Y266-P282 HydrophobicContact CE1-CB 3.67Å; Y266-P282 HydrophobicContact CE1-CG 4.46Å
283L89.5Confident87.1Confident12 Ų1268 Ų686%0.06334%0.343CS..  trans-89.3117.6177.7-69169.1000109.8V258 P265 L267 R281 I291V258-L283 HydrophobicContact CG1-CD1 3.91Å; V258-L283 HydrophobicContact CG2-CD1 3.79Å; P265-L283 HydrophobicContact CB-CB 4.28Å; P265-L283 HydrophobicContact CB-CD1 4.43Å; P265-L283 HydrophobicContact CG-CB 4.1Å; P265-L283 PolarHBondContact O-N 2.72Å; L267-L283 HydrophobicContact CB-CD1 4.19Å; L267-L283 HydrophobicContact CB-CD2 4.14Å; L267-L283 HydrophobicContact CB-CG 4.17Å; R281-L283 PolarHBondContact O-N 3.07Å; L283-I291 HydrophobicContact CD1-CD1 3.65Å; L283-I291 HydrophobicContact CD2-CD1 3.78Å; L283-I291 HydrophobicContact CG-CD1 4.38Å
284K86Confident87Confident187 Ų18769.9 Ų69.981%0.81335%0.35SS*.SBendtrans-72-38.2169.4-69-177.4-178.5175.60111.2
285W80.5Confident86.7Confident183 Ų18366.9 Ų66.969%0.69333%0.33SS*.SBendtrans-129.6137.7-178.5-51.5112.8000110T287 S290W285-T287 VanDerWaalsContact C-N 3.26Å; W285-T287 HydrophobicContact CB-CG2 4.25Å; W285-T287 PolarHBondContact O-N 3.37Å; W285-S290 WeakPolarHBondContact O-CB 3.42Å; W285-S290 PolarHBondContact O-OG 3.27Å
286H78.1Confident86.2Confident86 Ų8667.4 Ų67.440%0.39833%0.327SS..  trans-90.462.5176.1-159.9-96.5000109.8I315H286-I315 VanDerWaalsContact CE1-CG2 3.42Å; H286-I315 WeakPolarHBondContact CE1-CG2 3.45Å; H286-I315 WeakPolarHBondContact ND1-CG2 3.45Å
287T77.1Confident85.7Confident68 Ų6863.8 Ų63.842%0.41732%0.321SS..SBendtrans-126.8151.5-177.660.60000110W285 A289 S290 I291W285-T287 VanDerWaalsContact C-N 3.26Å; W285-T287 HydrophobicContact CB-CG2 4.25Å; W285-T287 PolarHBondContact O-N 3.37Å; T287-A289 VanDerWaalsContact C-N 3.28Å; T287-A289 PolarHBondContact O-N 2.72Å; T287-S290 WeakPolarHBondContact O-CB 3.46Å; T287-S290 PolarHBondContact O-N 2.95Å; T287-S290 WeakPolarHBondContact OG1-CB 3.25Å; T287-S290 PolarHBondContact OG1-N 3.25Å; T287-I291 WeakPolarHBondContact O-CG1 3.34Å; T287-I291 PolarHBondContact O-N 2.93Å; T287-I291 VanDerWaalsContact O-N 3.16Å
288S73.9Confident85.4Confident32 Ų3258.9 Ų58.922%0.22430%0.3CS..Hα-helixtrans-54.6-45.1175.249.20000111.8S290 I291 V292 I315 Q319S288-S290 VanDerWaalsContact C-N 3.33Å; S288-S290 PolarHBondContact O-N 2.99Å; S288-I291 WeakPolarHBondContact O-CA 3.44Å; S288-I291 WeakPolarHBondContact O-CB 3.38Å; S288-I291 PolarHBondContact O-N 3.49Å; S288-V292 WeakPolarHBondContact O-CG2 3.28Å; S288-V292 PolarHBondContact O-N 3.05Å; S288-I315 VanDerWaalsContact CA-O 3.28Å; S288-I315 WeakPolarHBondContact CA-O 3.37Å; S288-I315 WeakPolarHBondContact CB-O 3.3Å; S288-Q319 PolarHBondContact OG-OE1 3.29Å
289A77Confident84.9Confident42 Ų4256.7 Ų56.735%0.34728%0.281SS..Hα-helixtrans-58.1-44179.500000112.6T287 I291 V292 D293T287-A289 VanDerWaalsContact C-N 3.28Å; T287-A289 PolarHBondContact O-N 2.72Å; A289-I291 VanDerWaalsContact C-N 3.3Å; A289-I291 PolarHBondContact O-N 3.46Å; A289-V292 PolarHBondContact O-N 3.36Å; A289-D293 VanDerWaalsContact O-CG 3.28Å; A289-D293 PolarHBondContact O-N 2.84Å
290S83.4Confident84.3Confident12 Ų1261.9 Ų61.98%0.08431%0.308CS..Hα-helixtrans-61.2-39.9176175.10000111.3W285 T287 S288 H294W285-S290 WeakPolarHBondContact O-CB 3.42Å; W285-S290 PolarHBondContact O-OG 3.27Å; T287-S290 WeakPolarHBondContact O-CB 3.46Å; T287-S290 PolarHBondContact O-N 2.95Å; T287-S290 WeakPolarHBondContact OG1-CB 3.25Å; T287-S290 PolarHBondContact OG1-N 3.25Å; S288-S290 VanDerWaalsContact C-N 3.33Å; S288-S290 PolarHBondContact O-N 2.99Å; S290-H294 PolarHBondContact O-N 3.05Å; S290-H294 PolarHBondContact O-ND1 3.28Å
291I83.1Confident83.9Confident3 Ų361.2 Ų61.22%0.01531%0.31CS..Hα-helixtrans-65.8-43.9177-62.6-75.1000110.8V258 L267 L283 T287 S288 A289 H294 F295 I315 F316V258-I291 HydrophobicContact CG2-CD1 3.94Å; L267-I291 HydrophobicContact CB-CD1 4.46Å; L267-I291 HydrophobicContact CD1-CD1 3.85Å; L267-I291 HydrophobicContact CD1-CG2 4.32Å; L283-I291 HydrophobicContact CD1-CD1 3.65Å; L283-I291 HydrophobicContact CD2-CD1 3.78Å; L283-I291 HydrophobicContact CG-CD1 4.38Å; T287-I291 WeakPolarHBondContact O-CG1 3.34Å; T287-I291 PolarHBondContact O-N 2.93Å; T287-I291 VanDerWaalsContact O-N 3.16Å; S288-I291 WeakPolarHBondContact O-CA 3.44Å; S288-I291 WeakPolarHBondContact O-CB 3.38Å; S288-I291 PolarHBondContact O-N 3.49Å; A289-I291 VanDerWaalsContact C-N 3.3Å; A289-I291 PolarHBondContact O-N 3.46Å; I291-H294 PolarHBondContact O-N 2.97Å; I291-F295 HydrophobicContact CG2-CD2 3.62Å; I291-F295 HydrophobicContact CG2-CE2 3.35Å; I291-F295 HydrophobicContact CG2-CZ 4.32Å; I291-F295 WeakPolarHBondContact O-CD2 3.24Å; I291-F295 PolarHBondContact O-N 3.28Å; I291-I315 HydrophobicContact CD1-CD1 4.33Å; I291-I315 HydrophobicContact CG1-CB 4.48Å; I291-I315 HydrophobicContact CG1-CD1 4.49Å; I291-I315 HydrophobicContact CG1-CG1 4.48Å; I291-F316 HydrophobicContact CD1-CE1 4.41Å; I291-F316 HydrophobicContact CG2-CD1 3.94Å; I291-F316 HydrophobicContact CG2-CE1 3.72Å
292V82.7Confident83.4Confident18 Ų1862.8 Ų62.811%0.10932%0.316CS..Hα-helixtrans-58.6-49176.7171.50000110.9S288 A289 H294 F295 E296 Q319 V321S288-V292 WeakPolarHBondContact O-CG2 3.28Å; S288-V292 PolarHBondContact O-N 3.05Å; A289-V292 PolarHBondContact O-N 3.36Å; V292-H294 VanDerWaalsContact C-N 3.25Å; V292-H294 PolarHBondContact O-N 3.24Å; V292-F295 PolarHBondContact O-N 2.7Å; V292-E296 HydrophobicContact CG1-CG 4.26Å; V292-E296 WeakPolarHBondContact O-CG 3.16Å; V292-E296 PolarHBondContact O-N 2.94Å; V292-Q319 HydrophobicContact CG2-CB 3.94Å; V292-V321 HydrophobicContact CB-CG2 4.35Å; V292-V321 HydrophobicContact CG1-CB 4.49Å; V292-V321 HydrophobicContact CG1-CG1 4.22Å; V292-V321 HydrophobicContact CG1-CG2 4.07Å; V292-V321 HydrophobicContact CG2-CG2 3.94Å
293D82.7Confident82.8Confident102 Ų10260.8 Ų60.855%0.54531%0.31SS..Hα-helixtrans-56-41.1178.5-66.8-21.4000111.9A289 A297A289-D293 VanDerWaalsContact O-CG 3.28Å; A289-D293 PolarHBondContact O-N 2.84Å; D293-A297 WeakPolarHBondContact O-CB 3.23Å; D293-A297 PolarHBondContact O-N 2.81Å
294H88.5Confident82.5Confident41 Ų4161.7 Ų61.719%0.1932%0.319CS..Hα-helixtrans-69.6-40177.3-72.998.1000112.4L267 R281 S290 I291 V292 A297 I298L267-H294 HydrophobicContact CD2-CB 3.56Å; R281-H294 WeakPolarHBondContact CB-CD2 3.46Å; S290-H294 PolarHBondContact O-N 3.05Å; S290-H294 PolarHBondContact O-ND1 3.28Å; I291-H294 PolarHBondContact O-N 2.97Å; V292-H294 VanDerWaalsContact C-N 3.25Å; V292-H294 PolarHBondContact O-N 3.24Å; H294-A297 PolarHBondContact O-N 3.29Å; H294-I298 WeakPolarHBondContact O-CD1 3.46Å; H294-I298 VanDerWaalsContact O-CG1 3.23Å; H294-I298 WeakPolarHBondContact O-CG1 3.38Å; H294-I298 PolarHBondContact O-N 3.19Å
295F85Confident82.4Confident4 Ų453.1 Ų53.12%0.01828%0.282CS..Hα-helixtrans-63.2-47.4175.1-82.5-47.9000111.5S256 L267 V269 I291 V292 A297 I298 F299 I308 F316 V321S256-F295 VanDerWaalsContact OG-CZ 3.3Å; S256-F295 WeakPolarHBondContact OG-CZ 3.46Å; L267-F295 HydrophobicContact CD1-CZ 4.22Å; L267-F295 HydrophobicContact CD2-CD1 4.37Å; L267-F295 HydrophobicContact CD2-CE1 4.28Å; L267-F295 HydrophobicContact CD2-CZ 4.44Å; V269-F295 HydrophobicContact CG2-CD1 4.39Å; V269-F295 HydrophobicContact CG2-CE1 3.78Å; I291-F295 HydrophobicContact CG2-CD2 3.62Å; I291-F295 HydrophobicContact CG2-CE2 3.35Å; I291-F295 HydrophobicContact CG2-CZ 4.32Å; I291-F295 WeakPolarHBondContact O-CD2 3.24Å; I291-F295 PolarHBondContact O-N 3.28Å; V292-F295 PolarHBondContact O-N 2.7Å; F295-A297 VanDerWaalsContact C-N 3.32Å; F295-A297 PolarHBondContact O-N 2.83Å; F295-I298 PolarHBondContact O-N 2.92Å; F295-I298 VanDerWaalsContact O-N 3.14Å; F295-F299 HydrophobicContact CB-CD2 4.29Å; F295-F299 HydrophobicContact CB-CE2 3.66Å; F295-F299 HydrophobicContact CB-CZ 3.85Å; F295-F299 HydrophobicContact CD1-CE1 4.16Å; F295-F299 HydrophobicContact CD1-CE2 4.28Å; F295-F299 AromaticContact CD1-CZ 3.58Å; F295-F299 HydrophobicContact CD1-CZ 3.58Å; F295-F299 HydrophobicContact CE1-CZ 4.42Å; F295-F299 HydrophobicContact CG-CE2 4.2Å; F295-F299 AromaticContact CG-CZ 3.96Å; F295-F299 HydrophobicContact CG-CZ 3.96Å; F295-F299 WeakPolarHBondContact O-CB 3.46Å; F295-F299 WeakPolarHBondContact O-CD1 3.45Å; F295-F299 WeakPolarHBondContact O-CD2 3.26Å; F295-F299 WeakPolarHBondContact O-CG 3.39Å; F295-F299 PolarHBondContact O-N 3.14Å; F295-I308 HydrophobicContact CZ-CG2 4.43Å; F295-F316 HydrophobicContact CE2-CD1 4.44Å; F295-F316 HydrophobicContact CE2-CE1 4.27Å; F295-F316 HydrophobicContact CZ-CE1 4.41Å; F295-V321 HydrophobicContact CB-CG2 4.49Å
296E81.9Confident82.6Confident65 Ų6546.8 Ų46.830%0.30426%0.264SS..Hα-helixtrans-56.1-47.1176.5-73-177.1-177.700111.4V292 I298 F299 L300 V321V292-E296 HydrophobicContact CG1-CG 4.26Å; V292-E296 WeakPolarHBondContact O-CG 3.16Å; V292-E296 PolarHBondContact O-N 2.94Å; E296-I298 PolarHBondContact O-N 2.84Å; E296-F299 PolarHBondContact O-N 2.79Å; E296-L300 WeakPolarHBondContact O-CB 3.49Å; E296-L300 VanDerWaalsContact O-CG 3.3Å; E296-L300 WeakPolarHBondContact O-CG 3.33Å; E296-L300 PolarHBondContact O-N 2.94Å; E296-V321 HydrophobicContact CG-CG1 3.66Å
297A83.2Confident82.6Confident38 Ų3844.7 Ų44.731%0.31425%0.254SS..Hα-helixtrans-59.5-45.1176.300000112.2D293 H294 F295 F299 L300 E301D293-A297 WeakPolarHBondContact O-CB 3.23Å; D293-A297 PolarHBondContact O-N 2.81Å; H294-A297 PolarHBondContact O-N 3.29Å; F295-A297 VanDerWaalsContact C-N 3.32Å; F295-A297 PolarHBondContact O-N 2.83Å; A297-F299 VanDerWaalsContact C-N 3.32Å; A297-F299 PolarHBondContact O-N 3.21Å; A297-L300 PolarHBondContact O-N 3.37Å; A297-E301 VanDerWaalsContact O-CG 3.32Å; A297-E301 WeakPolarHBondContact O-CG 3.48Å; A297-E301 PolarHBondContact O-N 2.86Å
298I85.7Confident82.9Confident0 Ų042.2 Ų42.20%024%0.238CC..Hα-helixtrans-62-41.3177.6-70.1165.6000111.1W251 V269 I279 R281 H294 F295 E296 E301 R302W251-I298 HydrophobicContact CH2-CG2 4.4Å; W251-I298 HydrophobicContact CZ2-CG2 4.01Å; V269-I298 HydrophobicContact CG2-CD1 3.92Å; I279-I298 HydrophobicContact CD1-CG1 4.42Å; I279-I298 HydrophobicContact CD1-CG2 3.9Å; I279-I298 HydrophobicContact CG2-CD1 4.03Å; I279-I298 HydrophobicContact CG2-CG1 4.34Å; R281-I298 HydrophobicContact CG-CD1 4.29Å; H294-I298 WeakPolarHBondContact O-CD1 3.46Å; H294-I298 VanDerWaalsContact O-CG1 3.23Å; H294-I298 WeakPolarHBondContact O-CG1 3.38Å; H294-I298 PolarHBondContact O-N 3.19Å; F295-I298 PolarHBondContact O-N 2.92Å; F295-I298 VanDerWaalsContact O-N 3.14Å; E296-I298 PolarHBondContact O-N 2.84Å; I298-E301 PolarHBondContact O-N 2.76Å; I298-R302 PolarHBondContact O-N 3.05Å
299F85.4Confident83.5Confident6 Ų642.4 Ų42.43%0.02624%0.237CC..Hα-helixtrans-73.9-32.5-177.8-59-21.1000112.7L254 F295 E296 A297 E301 G303 A304 P305 I308 V323L254-F299 HydrophobicContact CD1-CE1 4.08Å; F295-F299 HydrophobicContact CB-CD2 4.29Å; F295-F299 HydrophobicContact CB-CE2 3.66Å; F295-F299 HydrophobicContact CB-CZ 3.85Å; F295-F299 HydrophobicContact CD1-CE1 4.16Å; F295-F299 HydrophobicContact CD1-CE2 4.28Å; F295-F299 AromaticContact CD1-CZ 3.58Å; F295-F299 HydrophobicContact CD1-CZ 3.58Å; F295-F299 HydrophobicContact CE1-CZ 4.42Å; F295-F299 HydrophobicContact CG-CE2 4.2Å; F295-F299 AromaticContact CG-CZ 3.96Å; F295-F299 HydrophobicContact CG-CZ 3.96Å; F295-F299 WeakPolarHBondContact O-CB 3.46Å; F295-F299 WeakPolarHBondContact O-CD1 3.45Å; F295-F299 WeakPolarHBondContact O-CD2 3.26Å; F295-F299 WeakPolarHBondContact O-CG 3.39Å; F295-F299 PolarHBondContact O-N 3.14Å; E296-F299 PolarHBondContact O-N 2.79Å; A297-F299 VanDerWaalsContact C-N 3.32Å; A297-F299 PolarHBondContact O-N 3.21Å; F299-E301 VanDerWaalsContact C-N 3.35Å; F299-G303 CarbonylContact O-C 3.52Å; F299-G303 VanDerWaalsContact O-C 3.24Å; F299-G303 WeakPolarHBondContact O-CA 3.32Å; F299-G303 PolarHBondContact O-N 3.27Å; F299-A304 HydrophobicContact CB-CB 4.06Å; F299-A304 HydrophobicContact CG-CB 4.19Å; F299-P305 VanDerWaalsContact CE1-CD 3.47Å; F299-P305 HydrophobicContact CE1-CG 4.01Å; F299-P305 HydrophobicContact CZ-CG 4.33Å; F299-I308 HydrophobicContact CE1-CD1 4.41Å; F299-I308 HydrophobicContact CE2-CD1 3.86Å; F299-I308 HydrophobicContact CZ-CD1 3.4Å; F299-I308 HydrophobicContact CZ-CG1 4.3Å; F299-V323 HydrophobicContact CD2-CG2 3.88Å
300L83Confident83.8Confident125 Ų12540.9 Ų40.965%0.65422%0.223SC*.Hα-helixtrans-67.3-37170.4-71.9170.5000111.6E296 A297E296-L300 WeakPolarHBondContact O-CB 3.49Å; E296-L300 VanDerWaalsContact O-CG 3.3Å; E296-L300 WeakPolarHBondContact O-CG 3.33Å; E296-L300 PolarHBondContact O-N 2.94Å; A297-L300 PolarHBondContact O-N 3.37Å
301E86.1Confident83.4Confident110 Ų11043.9 Ų43.951%0.51424%0.238SC..Hα-helixtrans-72.4-40.5178.9-74.9175.5-164.700113.4R281 A297 I298 F299R281-E301 IonicContact CZ-OE1 3.86Å; R281-E301 VanDerWaalsContact NH2-CD 3.26Å; R281-E301 IonicContact NH2-OE1 2.76Å; R281-E301 PolarHBondContact NH2-OE1 3.47Å; R281-E301 IonicContact NH2-OE2 3Å; R281-E301 PolarHBondContact NH2-OE2 3.43Å; A297-E301 VanDerWaalsContact O-CG 3.32Å; A297-E301 WeakPolarHBondContact O-CG 3.48Å; A297-E301 PolarHBondContact O-N 2.86Å; I298-E301 PolarHBondContact O-N 2.76Å; F299-E301 VanDerWaalsContact C-N 3.35Å
302R84.8Confident82.6Confident106 Ų10647.7 Ų47.740%0.426%0.259SS..Hα-helixtrans-119.7-2.4-167.5-71.3177.1176.966.65.9114.9W251 I298W251-R302 HydrophobicContact CH2-CB 4.29Å; W251-R302 HydrophobicContact CH2-CG 4.45Å; W251-R302 HydrophobicContact CZ2-CB 3.55Å; W251-R302 HydrophobicContact CZ2-CG 4.16Å; I298-R302 PolarHBondContact O-N 3.05Å
303G82.2Confident81.9Confident37 Ų3749.3 Ų49.338%0.38127%0.266SS..  trans82156.6-163.800000111.4W251 F299W251-G303 PolarHBondContact NE1-O 2.97Å; F299-G303 CarbonylContact O-C 3.52Å; F299-G303 VanDerWaalsContact O-C 3.24Å; F299-G303 WeakPolarHBondContact O-CA 3.32Å; F299-G303 PolarHBondContact O-N 3.27Å
304A82.3Confident81.2Confident30 Ų3048.5 Ų48.525%0.24827%0.267CS..  trans-87.2138.7-178.900000110.8F299F299-A304 HydrophobicContact CB-CB 4.06Å; F299-A304 HydrophobicContact CG-CB 4.19Å
305P84.4Confident80.4Confident7 Ų747.2 Ų47.25%0.04526%0.261CS..  trans-71.1169.4178.234.1-39.3000111.9W251 L254 F299 I308 R328W251-P305 WeakPolarHBondContact O-CA 3.36Å; W251-P305 VanDerWaalsContact O-CB 3.29Å; W251-P305 WeakPolarHBondContact O-CB 3.37Å; L254-P305 HydrophobicContact CD1-CB 3.96Å; L254-P305 HydrophobicContact CD1-CG 3.71Å; L254-P305 HydrophobicContact CG-CB 3.76Å; L254-P305 HydrophobicContact CG-CG 3.92Å; F299-P305 VanDerWaalsContact CE1-CD 3.47Å; F299-P305 HydrophobicContact CE1-CG 4.01Å; F299-P305 HydrophobicContact CZ-CG 4.33Å; P305-I308 HydrophobicContact CG-CD1 4.24Å; P305-I308 HydrophobicContact CG-CG1 3.71Å; P305-R328 PolarHBondContact O-NH1 3.21Å; P305-R328 VanDerWaalsContact O-NH1 3.12Å
306V83.9Confident79.7Confident50 Ų5047.5 Ų47.530%0.30326%0.262SS..SBendtrans-70.6-41.7171.8-178.10000109.7H252 V360H252-V306 WeakPolarHBondContact O-CA 3.48Å; H252-V306 VanDerWaalsContact O-CB 3.3Å; H252-V306 WeakPolarHBondContact O-CB 3.39Å; H252-V306 PolarHBondContact O-N 2.98Å; V306-V360 WeakPolarHBondContact O-CG2 3.28Å
307E78.7Confident78.6Confident42 Ų4247.7 Ų47.720%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-149.3158.7-18060.6-177.6176.500113.1H252 R253 L254H252-E307 PolarHBondContact O-N 2.94Å; R253-E307 WeakPolarHBondContact CA-O 3.42Å; R253-E307 HydrophobicContact CB-CG 3.76Å; R253-E307 HydrophobicContact CG-CG 3.94Å; R253-E307 IonicContact CZ-OE1 2.74Å; R253-E307 IonicContact NE-OE1 3.99Å; R253-E307 PolarHBondContact NE-OE1 2.84Å; R253-E307 IonicContact NH2-OE1 3.19Å; R253-E307 PolarHBondContact NH2-OE1 2.89Å; R253-E307 IonicContact NH2-OE2 2.76Å; L254-E307 PolarHBondContact N-O 3.26Å
308I84.2Confident77Confident17 Ų1752.5 Ų52.59%0.08728%0.284CS..EExtended strand (participates in β ladder)trans-127.6127.9-179.6-57163.2000108.5L254 F295 F299 P305 V310 V330L254-I308 CarbonylContact O-C 3.59Å; L254-I308 VanDerWaalsContact O-CA 3.27Å; L254-I308 WeakPolarHBondContact O-CA 3.38Å; F295-I308 HydrophobicContact CZ-CG2 4.43Å; F299-I308 HydrophobicContact CE1-CD1 4.41Å; F299-I308 HydrophobicContact CE2-CD1 3.86Å; F299-I308 HydrophobicContact CZ-CD1 3.4Å; F299-I308 HydrophobicContact CZ-CG1 4.3Å; P305-I308 HydrophobicContact CG-CD1 4.24Å; P305-I308 HydrophobicContact CG-CG1 3.71Å; I308-V310 HydrophobicContact CG2-CG1 3.99Å; I308-V330 HydrophobicContact CB-CG1 4.35Å; I308-V330 HydrophobicContact CD1-CG2 4.25Å; I308-V330 HydrophobicContact CG2-CG1 4.32Å
309L84.6Confident75.3Confident36 Ų3656.2 Ų56.219%0.18830%0.301CS..EExtended strand (participates in β ladder)trans-102.8104.3177-176.873.2000109.7L245 R253 L254 S255 S256 L333L245-L309 HydrophobicContact CD1-CD2 4.12Å; L245-L309 HydrophobicContact CD2-CD2 3.76Å; L245-L309 HydrophobicContact CG-CD2 4.44Å; R253-L309 HydrophobicContact CG-CB 4.47Å; L254-L309 PolarHBondContact O-N 3.12Å; S255-L309 CarbonylContact C-O 3.5Å; S255-L309 VanDerWaalsContact CA-O 3.26Å; S255-L309 WeakPolarHBondContact CA-O 3.45Å; S256-L309 PolarHBondContact N-O 3.44Å; L309-L333 HydrophobicContact CD1-CD1 3.35Å; L309-L333 HydrophobicContact CD1-CG 4.48Å
310V84Confident73.5Confident10 Ų1058.4 Ų58.46%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-115.4159174.7-730000110.3I308 F316 V330I308-V310 HydrophobicContact CG2-CG1 3.99Å; V310-F316 HydrophobicContact CB-CB 4.2Å; V310-F316 HydrophobicContact CB-CD1 4.18Å; V310-F316 HydrophobicContact CB-CD2 4.08Å; V310-F316 HydrophobicContact CB-CG 3.91Å; V310-F316 HydrophobicContact CG1-CD1 3.74Å; V310-F316 HydrophobicContact CG1-CD2 4.39Å; V310-F316 HydrophobicContact CG1-CE1 3.91Å; V310-F316 HydrophobicContact CG1-CG 4Å; V310-F316 HydrophobicContact CG1-CZ 4.32Å; V310-F316 HydrophobicContact CG2-CB 4.08Å; V310-F316 HydrophobicContact CG2-CG 4.33Å; V310-V330 HydrophobicContact CG1-CG1 4.39Å; V310-V330 HydrophobicContact CG2-CG1 3.63Å
311D74.5Confident72Confident75 Ų7552.5 Ų52.540%0.40129%0.289SS..  trans-77.2-174.3169.178.7-4.8000111.5D313 F316D311-D313 VanDerWaalsContact C-N 3.29Å; D311-D313 PolarHBondContact O-N 3.33Å; D311-D313 VanDerWaalsContact OD1-CB 3.24Å; D311-D313 WeakPolarHBondContact OD1-CB 3.37Å; D311-D313 PolarHBondContact OD1-N 2.76Å; D311-F316 VanDerWaalsContact OD1-CD2 3.26Å; D311-F316 WeakPolarHBondContact OD1-CD2 3.44Å; D311-F316 WeakPolarHBondContact OD1-CE2 3.22Å
312N66.4Low70.1Confident83 Ų8353 Ų5344%0.44429%0.292SS..SBendtrans-92.224.8179.9-77.5-37.2000112.7Q317 L333N312-Q317 PolarHBondContact O-NE2 3.23Å; N312-L333 PolarHBondContact ND2-O 2.88Å; N312-L333 PolarHBondContact OD1-O 2.93Å
313D69.5Low68.2Low51 Ų5148.4 Ų48.427%0.27328%0.275SS..  trans-60.9135.6174.4-169.7-65.5000110.3D311 I315 F316 Q317D311-D313 VanDerWaalsContact C-N 3.29Å; D311-D313 PolarHBondContact O-N 3.33Å; D311-D313 VanDerWaalsContact OD1-CB 3.24Å; D311-D313 WeakPolarHBondContact OD1-CB 3.37Å; D311-D313 PolarHBondContact OD1-N 2.76Å; D313-I315 HydrophobicContact CB-CD1 4.35Å; D313-I315 HydrophobicContact CB-CG1 4.08Å; D313-I315 PolarHBondContact O-N 3.29Å; D313-I315 VanDerWaalsContact OD1-CG1 3.22Å; D313-I315 WeakPolarHBondContact OD1-CG1 3.4Å; D313-I315 WeakPolarHBondContact OD1-CG2 3.22Å; D313-I315 PolarHBondContact OD1-N 3.34Å; D313-F316 HydrophobicContact CB-CD2 3.85Å; D313-F316 HydrophobicContact CB-CE2 4.22Å; D313-F316 PolarHBondContact O-N 3.31Å; D313-Q317 PolarHBondContact O-N 3.47Å
314P67.5Low66.4Low85 Ų8552.7 Ų52.755%0.55229%0.289SS*.THydrogen-bonded Turntrans-50.8-23.5177.2-30.136.2000115.8F316 Q317P314-F316 VanDerWaalsContact C-N 3.33Å; P314-Q317 PolarHBondContact O-N 3.47Å
315I71.8Confident64.6Low14 Ų1454.4 Ų54.47%0.07231%0.31CS..THydrogen-bonded Turntrans-70-29.2175.468.9-165.8000113.3V258 H286 S288 I291 D313V258-I315 HydrophobicContact CB-CD1 4.21Å; V258-I315 HydrophobicContact CG2-CD1 3.35Å; H286-I315 VanDerWaalsContact CE1-CG2 3.42Å; H286-I315 WeakPolarHBondContact CE1-CG2 3.45Å; H286-I315 WeakPolarHBondContact ND1-CG2 3.45Å; S288-I315 VanDerWaalsContact CA-O 3.28Å; S288-I315 WeakPolarHBondContact CA-O 3.37Å; S288-I315 WeakPolarHBondContact CB-O 3.3Å; I291-I315 HydrophobicContact CD1-CD1 4.33Å; I291-I315 HydrophobicContact CG1-CB 4.48Å; I291-I315 HydrophobicContact CG1-CD1 4.49Å; I291-I315 HydrophobicContact CG1-CG1 4.48Å; D313-I315 HydrophobicContact CB-CD1 4.35Å; D313-I315 HydrophobicContact CB-CG1 4.08Å; D313-I315 PolarHBondContact O-N 3.29Å; D313-I315 VanDerWaalsContact OD1-CG1 3.22Å; D313-I315 WeakPolarHBondContact OD1-CG1 3.4Å; D313-I315 WeakPolarHBondContact OD1-CG2 3.22Å; D313-I315 PolarHBondContact OD1-N 3.34Å
316F69.7Low62.7Low10 Ų1056.7 Ų56.74%0.04432%0.324CS..THydrogen-bonded Turntrans-88-16.6174.3-58.8-62.5000111V258 L267 I291 F295 V310 D311 D313 P314 H332V258-F316 HydrophobicContact CG2-CZ 4.05Å; L267-F316 HydrophobicContact CD1-CE1 4.22Å; L267-F316 HydrophobicContact CD1-CZ 4.4Å; I291-F316 HydrophobicContact CD1-CE1 4.41Å; I291-F316 HydrophobicContact CG2-CD1 3.94Å; I291-F316 HydrophobicContact CG2-CE1 3.72Å; F295-F316 HydrophobicContact CE2-CD1 4.44Å; F295-F316 HydrophobicContact CE2-CE1 4.27Å; F295-F316 HydrophobicContact CZ-CE1 4.41Å; V310-F316 HydrophobicContact CB-CB 4.2Å; V310-F316 HydrophobicContact CB-CD1 4.18Å; V310-F316 HydrophobicContact CB-CD2 4.08Å; V310-F316 HydrophobicContact CB-CG 3.91Å; V310-F316 HydrophobicContact CG1-CD1 3.74Å; V310-F316 HydrophobicContact CG1-CD2 4.39Å; V310-F316 HydrophobicContact CG1-CE1 3.91Å; V310-F316 HydrophobicContact CG1-CG 4Å; V310-F316 HydrophobicContact CG1-CZ 4.32Å; V310-F316 HydrophobicContact CG2-CB 4.08Å; V310-F316 HydrophobicContact CG2-CG 4.33Å; D311-F316 VanDerWaalsContact OD1-CD2 3.26Å; D311-F316 WeakPolarHBondContact OD1-CD2 3.44Å; D311-F316 WeakPolarHBondContact OD1-CE2 3.22Å; D313-F316 HydrophobicContact CB-CD2 3.85Å; D313-F316 HydrophobicContact CB-CE2 4.22Å; D313-F316 PolarHBondContact O-N 3.31Å; P314-F316 VanDerWaalsContact C-N 3.33Å; F316-H332 PolarHBondContact O-NE2 2.97Å
317Q58.2Low60.7Low70 Ų7057.2 Ų57.233%0.32733%0.329SS..SBendtrans-78.4141.8168.8-59.2179.4-0.700109.4N312 D313 P314N312-Q317 PolarHBondContact O-NE2 3.23Å; D313-Q317 PolarHBondContact O-N 3.47Å; P314-Q317 PolarHBondContact O-N 3.47Å
318N51.4Low59.1Low138 Ų13858.4 Ų58.474%0.73833%0.331SS*.SBendtrans93-0.2167-43.7-48.2000119.8
319Q49.5Very low56.9Low79 Ų7964.9 Ų64.937%0.36936%0.361SS..  trans-137.9124.9169.8-73.3-178.2-25.900111.8S288 V292S288-Q319 PolarHBondContact OG-OE1 3.29Å; V292-Q319 HydrophobicContact CG2-CB 3.94Å
320A47Very low54.8Low51 Ų5163.6 Ų63.642%0.42136%0.355SS..  trans-77136.2162.100000107.8
321V50.6Low52.5Low2 Ų266.2 Ų66.21%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-82.1116.5171.5-177.60000106.9V292 F295 E296 V323 R328 V330V292-V321 HydrophobicContact CB-CG2 4.35Å; V292-V321 HydrophobicContact CG1-CB 4.49Å; V292-V321 HydrophobicContact CG1-CG1 4.22Å; V292-V321 HydrophobicContact CG1-CG2 4.07Å; V292-V321 HydrophobicContact CG2-CG2 3.94Å; F295-V321 HydrophobicContact CB-CG2 4.49Å; E296-V321 HydrophobicContact CG-CG1 3.66Å; V321-V323 HydrophobicContact CG1-CG2 3.67Å; V321-R328 PolarHBondContact O-N 2.99Å; V321-V330 HydrophobicContact CG2-CG2 3.99Å
322E47.7Very low50.7Low120 Ų12064.9 Ų64.956%0.56135%0.354SS*.EExtended strand (participates in β ladder)trans-90103.7170.3-74.4-164.5162.200109.6P327E322-P327 HydrophobicContact CG-CB 4.29Å; E322-P327 HydrophobicContact CG-CG 4.29Å
323V45.4Very low49.1Very low9 Ų965.8 Ų65.86%0.05536%0.359CS..EExtended strand (participates in β ladder)trans-101.3121.9171.9-173.70000108.9F299 V321 G325 T326F299-V323 HydrophobicContact CD2-CG2 3.88Å; V321-V323 HydrophobicContact CG1-CG2 3.67Å; V323-G325 VanDerWaalsContact C-N 3.31Å; V323-G325 PolarHBondContact O-N 3.12Å; V323-T326 PolarHBondContact N-O 2.93Å; V323-T326 PolarHBondContact O-N 3.44Å
324N42.5Very low47.2Very low127 Ų12772.8 Ų72.868%0.67938%0.382SS*.THydrogen-bonded Turntrans56.640.5177.9-59.2-28.3000113.6T326N324-T326 PolarHBondContact O-N 3.12Å
325G44.7Very low45.2Very low66 Ų6675.5 Ų75.568%0.6838%0.381SS*.THydrogen-bonded Turntrans70.713178.800000114.6V323V323-G325 VanDerWaalsContact C-N 3.31Å; V323-G325 PolarHBondContact O-N 3.12Å
326T44.1Very low42.9Very low55 Ų5580.5 Ų80.534%0.33742%0.416SS..EExtended strand (participates in β ladder)trans-113.1117.7172.5-49.70000108.2V323 N324 R328V323-T326 PolarHBondContact N-O 2.93Å; V323-T326 PolarHBondContact O-N 3.44Å; N324-T326 PolarHBondContact O-N 3.12Å; T326-R328 PolarHBondContact O-N 3.3Å
327P43.8Very low41Very low62 Ų6283.9 Ų83.940%0.40345%0.446SS..EExtended strand (participates in β ladder)trans-60.5104.9171-15.927.4000108.3E322 H329E322-P327 HydrophobicContact CG-CB 4.29Å; E322-P327 HydrophobicContact CG-CG 4.29Å; P327-H329 VanDerWaalsContact C-N 3.34Å; P327-H329 PolarHBondContact O-N 3.29Å; P327-H329 VanDerWaalsContact O-N 3.14Å
328R44.5Very low39.6Very low66 Ų6686.5 Ų86.525%0.24947%0.468CS..EExtended strand (participates in β ladder)trans-82.595.1168.6-63.2-154.8178.5-138.90.9104.8P305 V321 T326 V330P305-R328 PolarHBondContact O-NH1 3.21Å; P305-R328 VanDerWaalsContact O-NH1 3.12Å; V321-R328 PolarHBondContact O-N 2.99Å; T326-R328 PolarHBondContact O-N 3.3Å; R328-V330 VanDerWaalsContact C-N 3.28Å; R328-V330 PolarHBondContact O-N 3.4Å
329H37.7Very low38.4Very low153 Ų15388.7 Ų88.771%0.70847%0.474SS*.  trans-53.3101.6165.8-85.9-74.7000107P327 R331P327-H329 VanDerWaalsContact C-N 3.34Å; P327-H329 PolarHBondContact O-N 3.29Å; P327-H329 VanDerWaalsContact O-N 3.14Å; H329-R331 PolarHBondContact O-N 2.91Å
330V41.4Very low37.4Very low10 Ų1088.7 Ų88.76%0.06149%0.487CS..  trans-55.7102.7155.3-178.90000102.6I308 V310 V321 R328 H332I308-V330 HydrophobicContact CB-CG1 4.35Å; I308-V330 HydrophobicContact CD1-CG2 4.25Å; I308-V330 HydrophobicContact CG2-CG1 4.32Å; V310-V330 HydrophobicContact CG1-CG1 4.39Å; V310-V330 HydrophobicContact CG2-CG1 3.63Å; V321-V330 HydrophobicContact CG2-CG2 3.99Å; R328-V330 VanDerWaalsContact C-N 3.28Å; R328-V330 PolarHBondContact O-N 3.4Å; V330-H332 VanDerWaalsContact C-N 3.31Å; V330-H332 PolarHBondContact O-N 3.38Å
331R35Very low36.5Very low64 Ų6491.8 Ų91.824%0.24251%0.506CS..  trans-65101.8-171.7-164.6178.9-171.6177.73.1106.7H329 L333 L356 I358H329-R331 PolarHBondContact O-N 2.91Å; R331-L333 PolarHBondContact O-N 2.98Å; R331-L333 VanDerWaalsContact O-N 3.08Å; R331-L356 VanDerWaalsContact CZ-O 3.23Å; R331-L356 PolarHBondContact NH1-O 2.92Å; R331-L356 PolarHBondContact NH2-O 2.99Å; R331-I358 VanDerWaalsContact NE-CD1 3.26Å; R331-I358 VanDerWaalsContact NH2-CD1 3.3Å; R331-I358 VanDerWaalsContact NH2-CG1 3.25Å
332H36.5Very low35.5Very low47 Ų4799.5 Ų99.522%0.21854%0.542CS..  trans-58.1112.9168.5-66.5106.2000106.4F316 V330 R334F316-H332 PolarHBondContact O-NE2 2.97Å; V330-H332 VanDerWaalsContact C-N 3.31Å; V330-H332 PolarHBondContact O-N 3.38Å; H332-R334 HydrophobicContact CB-CG 3.79Å; H332-R334 PolarHBondContact O-N 2.95Å
333L33.5Very low34.6Very low103 Ų103105.9 Ų105.954%0.53956%0.561SS.*  trans-67.669.4158-77.3168.9000107.8L309 N312 R331 R335L309-L333 HydrophobicContact CD1-CD1 3.35Å; L309-L333 HydrophobicContact CD1-CG 4.48Å; N312-L333 PolarHBondContact ND2-O 2.88Å; N312-L333 PolarHBondContact OD1-O 2.93Å; R331-L333 PolarHBondContact O-N 2.98Å; R331-L333 VanDerWaalsContact O-N 3.08Å; L333-R335 PolarHBondContact O-N 3.24Å
334R29Very low33.9Very low198 Ų198111.6 Ų111.675%0.74759%0.589SS**PPolyproline II helixtrans-67.5121.1165.7-68-167.7-171-176.92.7106.6H332 C336H332-R334 HydrophobicContact CB-CG 3.79Å; H332-R334 PolarHBondContact O-N 2.95Å; R334-C336 PolarHBondContact O-N 3.23Å
335R26.1Very low33.2Very low142 Ų142113.8 Ų113.854%0.53659%0.593SS.*PPolyproline II helixtrans-66.2124.2143.3-81.6-172.7-169.9-154.10.9106.1L333 A337L333-R335 PolarHBondContact O-N 3.24Å; R335-A337 PolarHBondContact O-N 3.39Å; R335-A337 VanDerWaalsContact O-N 3.12Å
336C23.8Very low32.3Very low119 Ų119116.8 Ų116.880%0.80460%0.6SS**PPolyproline II helixtrans-54.9116.9145.9-77.10000105.6R334R334-C336 PolarHBondContact O-N 3.23Å
337A28.4Very low31.8Very low81 Ų81121.5 Ų121.567%0.66962%0.623SS**PPolyproline II helixtrans-51.8127.615700000105.5R335 H339R335-A337 PolarHBondContact O-N 3.39Å; R335-A337 VanDerWaalsContact O-N 3.12Å; A337-H339 PolarHBondContact O-N 3.16Å
338P28.6Very low31.2Very low124 Ų124125.3 Ų125.381%0.80564%0.64SS**  trans-56.2112.6178.520.5-28.7000106.5A340P338-A340 PolarHBondContact O-N 2.97Å
339H26.4Very low30.7Very low185 Ų185131.6 Ų131.686%0.85667%0.672SS**  trans-54.3117.7171.7-129.7-80.6000105.2A337 S341A337-H339 PolarHBondContact O-N 3.16Å; H339-S341 PolarHBondContact O-N 3.01Å
340A28.7Very low30.4Very low79 Ų79131.4 Ų131.465%0.65368%0.676SS**SBendtrans-51.4140175.700000108.6P338P338-A340 PolarHBondContact O-N 2.97Å
341S29.2Very low30Very low115 Ų115134.9 Ų134.980%0.80471%0.706SS**  trans88.849162.6-23.40000117.9H339H339-S341 PolarHBondContact O-N 3.01Å
342Q29.3Very low29.9Very low164 Ų164140.7 Ų140.777%0.76674%0.735SS**  trans-129101.5150.4-72-172.1-7.700110.8I344Q342-I344 HydrophobicContact CB-CD1 4.34Å; Q342-I344 HydrophobicContact CB-CG1 4.06Å; Q342-I344 PolarHBondContact O-N 3.36Å
343R28.1Very low29.7Very low255 Ų255147 Ų14796%0.96277%0.765SS**  trans-64.577.5169.5-166.3-176.3-157.2174.45.2108.1K345R343-K345 PolarHBondContact O-N 3.23Å
344I31.1Very low29.4Very low128 Ų128150.6 Ų150.666%0.65678%0.779SS**  trans-86.2113.9178.2-59.1179.4000107.9Q342Q342-I344 HydrophobicContact CB-CD1 4.34Å; Q342-I344 HydrophobicContact CB-CG1 4.06Å; Q342-I344 PolarHBondContact O-N 3.36Å
345K26.8Very low29.3Very low174 Ų174149.2 Ų149.276%0.75778%0.781SS**  trans-57.8149.2170.7-80.9175.2173.1177.90110.1R343 L347R343-K345 PolarHBondContact O-N 3.23Å; K345-L347 PolarHBondContact O-N 3.32Å
346P27Very low29.5Very low128 Ų128149 Ų14983%0.83179%0.79SS**  trans-62.8121.2-175.625.5-31.5000109.7
347L32.8Very low29.6Very low154 Ų154149.5 Ų149.581%0.80678%0.784SS**  trans-118.3116.4173.9-75.8166.5000108.1K345K345-L347 PolarHBondContact O-N 3.32Å
348N30.9Very low29.7Very low142 Ų142150.3 Ų150.376%0.75978%0.776SS**  trans7135.4167.7-65-7.4000120.6D350N348-D350 VanDerWaalsContact C-N 3.26Å; N348-D350 PolarHBondContact O-N 3.21Å
349E35Very low29.7Very low198 Ų198149.1 Ų149.193%0.92577%0.77SS**THydrogen-bonded Turntrans-74.118.3-168.9-63179.413600116.5
350D30.6Very low30.1Very low150 Ų150142.4 Ų142.480%0.80274%0.742SS**THydrogen-bonded Turntrans-117.715.3-170.7-59.3-47.3000114.8N348 E352N348-D350 VanDerWaalsContact C-N 3.26Å; N348-D350 PolarHBondContact O-N 3.21Å; D350-E352 PolarHBondContact O-N 2.89Å
351A32.6Very low30Very low82 Ų82143.8 Ų143.868%0.67874%0.744SS**  trans-80.899.617000000109.5E353A351-E353 PolarHBondContact O-N 3.36Å
352E33.3Very low30.2Very low186 Ų186144 Ų14487%0.86974%0.741SS**  trans-51.3101.9164.6-62179.1170.300108.5D350 E354D350-E352 PolarHBondContact O-N 2.89Å; E352-E354 PolarHBondContact O-N 2.89Å
353E32.5Very low30.3Very low179 Ų179144.5 Ų144.584%0.83674%0.735SS**  trans-67.4107.8-176.6-71.8-172.6169.100109.6A351 E355A351-E353 PolarHBondContact O-N 3.36Å; E353-E355 PolarHBondContact O-N 3.32Å; E353-E355 VanDerWaalsContact O-N 3.08Å
354E28Very low30.6Very low179 Ų179138.8 Ų138.884%0.83672%0.724SS**  trans-52.2113.5175.5-67.5-176.2164.200110.4E352 L356E352-E354 PolarHBondContact O-N 2.89Å; E354-L356 PolarHBondContact O-N 3.23Å
355E26Very low30.8Very low170 Ų170140 Ų14079%0.79474%0.737SS**  trans-57.4111.7168.8-168.6174.2-159.400107.6E353 L357E353-E355 PolarHBondContact O-N 3.32Å; E353-E355 VanDerWaalsContact O-N 3.08Å; E355-L357 PolarHBondContact O-N 2.89Å
356L30.9Very low31Very low137 Ų137136 Ų13672%0.71774%0.736SS**  trans-69.773-167.8-159.783.6000111.2R331 E354R331-L356 VanDerWaalsContact CZ-O 3.23Å; R331-L356 PolarHBondContact NH1-O 2.92Å; R331-L356 PolarHBondContact NH2-O 2.99Å; E354-L356 PolarHBondContact O-N 3.23Å
357L26.3Very low31.2Very low129 Ų129135.5 Ų135.568%0.67573%0.731SS**  trans-66.1130.8174.8-99.8100.2000110.5E355E355-L357 PolarHBondContact O-N 2.89Å
358I29.9Very low31.2Very low98 Ų98136.4 Ų136.450%0.50372%0.724SS.*  trans-119.9111.5158-74.8176.1000107.1R331R331-I358 VanDerWaalsContact NE-CD1 3.26Å; R331-I358 VanDerWaalsContact NH2-CD1 3.3Å; R331-I358 VanDerWaalsContact NH2-CG1 3.25Å
359C28.1Very low31.3Very low100 Ų100136.9 Ų136.968%0.67673%0.725SS**PPolyproline II helixtrans-77.4123.3171.3-64.60000109.3
360V34.6Very low31.3Very low44 Ų44134.5 Ų134.527%0.26772%0.719SS.*PPolyproline II helixtrans-83.6124163.4-177.80000107.2V306 T362V306-V360 WeakPolarHBondContact O-CG2 3.28Å; V360-T362 PolarHBondContact O-N 2.88Å; V360-T362 VanDerWaalsContact O-N 3.16Å
361P27.3Very low31.3Very low108 Ų108132.7 Ų132.770%0.70171%0.709SS**PPolyproline II helixtrans-63.9120.2-179.322.1-29.7000110.5R363P361-R363 PolarHBondContact O-N 3.48Å
362T32.8Very low31.4Very low120 Ų120134.5 Ų134.574%0.73671%0.713SS**PPolyproline II helixtrans-72.6119163.850.30000107.3V360 D364V360-T362 PolarHBondContact O-N 2.88Å; V360-T362 VanDerWaalsContact O-N 3.16Å; T362-D364 PolarHBondContact O-N 2.97Å; T362-D364 VanDerWaalsContact O-N 3.1Å
363R32.1Very low31.5Very low174 Ų174129.7 Ų129.766%0.65771%0.705SS**  trans-62.8115.8167.8-89.8-175.6169164.2-0.2107.9P361 V365P361-R363 PolarHBondContact O-N 3.48Å; R363-V365 PolarHBondContact O-N 2.86Å
364D33.2Very low31.7Very low134 Ų134126.7 Ų126.772%0.71770%0.702SS**  trans-54.7128.8160.8-77.8-40.3000108.4T362 A366T362-D364 PolarHBondContact O-N 2.97Å; T362-D364 VanDerWaalsContact O-N 3.1Å; D364-A366 PolarHBondContact O-N 3.48Å
365V35.7Very low32.1Very low155 Ų155129.5 Ų129.594%0.93971%0.705SS**THydrogen-bonded Turntrans-65.54.9-173.31790000112.6R363R363-V365 PolarHBondContact O-N 2.86Å
366A32Very low32.6Very low89 Ų89131.6 Ų131.674%0.73671%0.705SS**THydrogen-bonded Turntrans-90.1-8.9-165.100000116.4D364D364-A366 PolarHBondContact O-N 3.48Å
367T31.7Very low32.8Very low118 Ų118129.3 Ų129.372%0.72471%0.706SS**SBendtrans-140.996.3-175.838.80000112.9
368R31Very low33.4Very low172 Ų172126.7 Ų126.765%0.64970%0.703SS**  trans174.974.3139.5-92.2161.5-165.2-1299109.7D371R368-D371 IonicContact CZ-OD2 3.87Å; R368-D371 IonicContact NH1-OD2 2.93Å; R368-D371 PolarHBondContact NH1-OD2 3Å
369I34.3Very low33.8Very low153 Ų153129.4 Ų129.479%0.78571%0.714SS**SBendtrans-76125.8145.8-56172.5000103.6
370N34.7Very low34.1Very low148 Ų148131.5 Ų131.579%0.79172%0.718SS**  trans108.627.1172.6-51-34.1000119.9
371D31.3Very low34.1Very low111 Ų111134.6 Ų134.659%0.59474%0.74SS**PPolyproline II helixtrans-99.5116.9157.1-82.6-35.5000109.7R368R368-D371 IonicContact CZ-OD2 3.87Å; R368-D371 IonicContact NH1-OD2 2.93Å; R368-D371 PolarHBondContact NH1-OD2 3Å
372P32.8Very low34.6Very low120 Ų120137.6 Ų137.678%0.77975%0.745SS**PPolyproline II helixtrans-70.3138.5-177.126.7-31.8000111.7
373A35.8Very low34.6Very low85 Ų85142.7 Ų142.770%0.70275%0.75SS**PPolyproline II helixtrans-52.8137.4-173.700000113.6R375A373-R375 PolarHBondContact O-N 3.4Å
374P36.8Very low34.8Very low117 Ų117142.9 Ų142.976%0.7676%0.758SS**PPolyproline II helixtrans-69.7118.8-178.626.2-31.1000110.8R376P374-R376 PolarHBondContact O-N 3.46Å
375R36.9Very low34.9Very low237 Ų237148.1 Ų148.189%0.89477%0.768SS**G310 helixtrans-65.99.8-179.7-72.2-174.2170.5-144.7-1115.7A373A373-R375 PolarHBondContact O-N 3.4Å
376R37.2Very low34.8Very low214 Ų214145.3 Ų145.381%0.80876%0.756SS**G310 helixtrans-89.5-8.7-174.4-88.1-176.1168.5178.9-2.5115.7P374 A378P374-R376 PolarHBondContact O-N 3.46Å; R376-A378 VanDerWaalsContact C-N 3.31Å; R376-A378 PolarHBondContact O-N 3.48Å
377A34.5Very low34.8Very low90 Ų90152.7 Ų152.774%0.74477%0.765SS**G310 helixtrans-75-19.1176.600000113.5
378A38.3Very low34.9Very low73 Ų73152.1 Ų152.160%0.60377%0.765SS**SBendtrans-85.5-22.9-173.300000114.7R376R376-A378 VanDerWaalsContact C-N 3.31Å; R376-A378 PolarHBondContact O-N 3.48Å
379E38Very low35Very low156 Ų156150.3 Ų150.373%0.72978%0.776SS**SBendtrans-85.2-18.1-174.5-77.1-178.4152.100114.3
380L35.7Very low35.1Very low144 Ų144152.2 Ų152.275%0.75478%0.782SS**G310 helixtrans-79.4-20.3179.5-83.5157.4000113.5Q382L380-Q382 PolarHBondContact O-N 3.27Å
381C33.2Very low35Very low109 Ų109150.4 Ų150.474%0.73678%0.78SS**G310 helixtrans-81.5-12-176.2-140.80000114
382Q38.4Very low35Very low171 Ų171152.1 Ų152.180%0.79980%0.795SS**G310 helixtrans-94.8-8.2-177.8-69.4-171.3-2.400114.6L380L380-Q382 PolarHBondContact O-N 3.27Å
383R34Very low34.9Very low226 Ų226155 Ų15585%0.85380%0.798SS**SBendtrans-93.7-6.1-177-123.3175.7-177.3-1771.1115.5
384E34.5Very low34.9Very low178 Ų178159.8 Ų159.883%0.83281%0.806SS**SBendtrans-92.8-2-177.4-69.7-164.9155.900115.2
385R35.5Very low34.8Very low244 Ų244161.2 Ų161.292%0.92181%0.807SS**SBendtrans-94.65.8-177.4-79.8-172.4-176.6-128.90.8116.7
386S34.3Very low34.6Very low97 Ų97161.1 Ų161.168%0.67881%0.807SS**  trans-133.169.1-178.655.70000112.1
387R31.4Very low34.6Very low244 Ų244157.3 Ų157.392%0.92181%0.806SS**  trans-145.694.6158.1-114.5175.1-174.5-178.60109.9
388S34Very low34.4Very low106 Ų106161.6 Ų161.674%0.74181%0.811SS**  trans-64.5151.5167.714.10000110.8Q390S388-Q390 PolarHBondContact O-N 3.23Å
389P34Very low34.1Very low134 Ų134163.8 Ų163.887%0.8782%0.817SS**  trans-77.6110.9-169.829.5-30.8000110.4
390Q35.7Very low33.8Very low193 Ų193168 Ų16890%0.90283%0.826SS**  trans-89.6141.3164.9-82.1-178.6-14.200110.4S388S388-Q390 PolarHBondContact O-N 3.23Å
391S33.2Very low33.5Very low110 Ų110172 Ų17277%0.76983%0.831SS**  trans-55.9149.3-165.742.90000115.4E393S391-E393 PolarHBondContact O-N 2.87Å
392T30.9Very low33.4Very low147 Ų147171.4 Ų171.490%0.90283%0.828SS**  trans-53.7107.6170.449.40000111.8
393E31.3Very low33.1Very low179 Ų179168.6 Ų168.684%0.83683%0.827SS**  trans-117.6126.9161.8-156.2158.3-163.900109.3S391 D395S391-E393 PolarHBondContact O-N 2.87Å; E393-D395 VanDerWaalsContact C-N 3.25Å; E393-D395 PolarHBondContact O-N 2.95Å
394H34.4Very low32.9Very low187 Ų187168.7 Ų168.787%0.86683%0.828SS**  trans-81.965.7-161.7-129.6-53000109.5R396H394-R396 PolarHBondContact O-N 2.74Å
395D35.8Very low32.8Very low147 Ų147167.9 Ų167.979%0.78683%0.828SS**  trans-71.4106.8179.2-93.5-21.5000110.4E393 V397E393-D395 VanDerWaalsContact C-N 3.25Å; E393-D395 PolarHBondContact O-N 2.95Å; D395-V397 PolarHBondContact O-N 3.06Å
396R32.9Very low32.7Very low235 Ų235167.3 Ų167.389%0.88783%0.826SS**  trans-58.5107.7173.3-70.3177.7172.1172.5-1.8108.3H394 E398H394-R396 PolarHBondContact O-N 2.74Å; R396-E398 VanDerWaalsContact C-N 3.33Å; R396-E398 PolarHBondContact O-N 3.01Å
397V36.7Very low32.7Very low133 Ų133174 Ų17481%0.80684%0.836SS**  trans-65.793.6171.8179.20000108.3D395 V399D395-V397 PolarHBondContact O-N 3.06Å; V397-V399 PolarHBondContact O-N 3.24Å
398E29.6Very low33Very low180 Ų180171 Ų17184%0.84183%0.833SS**  trans-64.2115.1165.3-81-168.3155.600108.7R396 R400R396-E398 VanDerWaalsContact C-N 3.33Å; R396-E398 PolarHBondContact O-N 3.01Å; E398-R400 PolarHBondContact O-N 3.25Å
399V32.9Very low33.2Very low120 Ų120175 Ų17573%0.72784%0.84SS**  trans-62.499173.61770000107.7V397 R401V397-V399 PolarHBondContact O-N 3.24Å; V399-R401 VanDerWaalsContact C-N 3.27Å; V399-R401 PolarHBondContact O-N 3.26Å
400R31.5Very low33.3Very low245 Ų245176.3 Ų176.393%0.92583%0.834SS**  trans-63.688.8174.3-151.2177.9-169.8-175.23.9108.6E398 S402E398-R400 PolarHBondContact O-N 3.25Å; R400-S402 PolarHBondContact O-N 3.02Å
401R28.4Very low33.3Very low227 Ų227170.3 Ų170.386%0.85781%0.813SS**  trans-62.7115.6173.5-74.6-177.7176.6-177.5-0.2107.8V399 S403V399-R401 VanDerWaalsContact C-N 3.27Å; V399-R401 PolarHBondContact O-N 3.26Å; R401-S403 PolarHBondContact O-N 2.93Å
402S31.8Very low33.5Very low97 Ų97170.1 Ų170.168%0.67881%0.812SS**  trans-59.9120.9174.6119.30000109R400 R404R400-S402 PolarHBondContact O-N 3.02Å; S402-R404 PolarHBondContact O-N 3.04Å; S402-R404 VanDerWaalsContact O-N 3.1Å
403S32Very low33.7Very low111 Ų111169.8 Ų169.878%0.77680%0.803SS**  trans-80.333.8176.152.60000112.8R401 L405R401-S403 PolarHBondContact O-N 2.93Å; S403-L405 PolarHBondContact O-N 2.88Å
404R30.1Very low34Very low228 Ų228166.1 Ų166.186%0.8680%0.796SS**  trans-69.586.2169.1-76.7-171.1-179.1-167.21.5108.3S402 R406S402-R404 PolarHBondContact O-N 3.04Å; S402-R404 VanDerWaalsContact O-N 3.1Å; R404-R406 VanDerWaalsContact C-N 3.3Å; R404-R406 PolarHBondContact O-N 2.88Å
405L31.9Very low34Very low162 Ų162166.3 Ų166.385%0.84880%0.804SS**  trans-48101.5156.5-88127.1000106.5S403 R407S403-L405 PolarHBondContact O-N 2.88Å; L405-R407 VanDerWaalsContact C-N 3.28Å; L405-R407 PolarHBondContact O-N 3.18Å
406R34.5Very low34Very low232 Ų232167.3 Ų167.388%0.87581%0.805SS**  trans-60.7102.5165.2-152.6179.4-164.2-165.13.3103.4R404 Q408R404-R406 VanDerWaalsContact C-N 3.3Å; R404-R406 PolarHBondContact O-N 2.88Å; R406-Q408 PolarHBondContact O-N 3.17Å
407R34.4Very low34Very low236 Ų236163.7 Ų163.789%0.89180%0.801SS**  trans-52.999.5169.8-83.3-176.7172.7-172.5-2.7105.4L405 Q409L405-R407 VanDerWaalsContact C-N 3.28Å; L405-R407 PolarHBondContact O-N 3.18Å; R407-Q409 VanDerWaalsContact C-N 3.26Å; R407-Q409 PolarHBondContact O-N 2.79Å
408Q37.6Very low33.9Very low183 Ų183165.4 Ų165.486%0.85580%0.8SS**  trans-62.2100.9163.4-86.6173-37.500104R406 H410R406-Q408 PolarHBondContact O-N 3.17Å; Q408-H410 PolarHBondContact O-N 3.1Å
409Q37.7Very low34.1Very low190 Ų190164.6 Ų164.689%0.88880%0.798SS**  trans-61.7109.8160.7-81178.1-37.600105.3R407 C411R407-Q409 VanDerWaalsContact C-N 3.26Å; R407-Q409 PolarHBondContact O-N 2.79Å; Q409-C411 PolarHBondContact O-N 3.2Å
410H35.1Very low34.2Very low160 Ų160167.4 Ų167.474%0.74180%0.802SS**  trans-53.1122.5171.7-123.6-94.1000107.9Q408 D415Q408-H410 PolarHBondContact O-N 3.1Å; H410-D415 IonicContact CE1-OD1 3.83Å; H410-D415 IonicContact ND1-OD1 3.93Å
411C36Very low34.4Very low67 Ų67162.2 Ų162.245%0.45379%0.794SS.*  trans-86.1113172.61800000107.4Q409 L413 C414Q409-C411 PolarHBondContact O-N 3.2Å; C411-L413 PolarHBondContact O-N 2.9Å; C411-C414 HydrophobicContact CB-CB 4.3Å; C411-C414 PolarHBondContact O-N 2.76Å
412S37.2Very low34.8Very low107 Ų107157.6 Ų157.675%0.74879%0.79SS**THydrogen-bonded Turntrans-71.29.1178.961.30000114.3
413L35.9Very low35Very low139 Ų139162.2 Ų162.273%0.72880%0.798SS**THydrogen-bonded Turntrans-1175.8176.8-66.2173000112.4C411C411-L413 PolarHBondContact O-N 2.9Å
414C38Very low35.3Very low102 Ų102166.5 Ų166.569%0.68980%0.8SS**  trans-124.418.8179.3-57.10000113.3C411C411-C414 HydrophobicContact CB-CB 4.3Å; C411-C414 PolarHBondContact O-N 2.76Å
415D35Very low35.8Very low192 Ų192160.9 Ų160.9100%1.02780%0.795SS**  trans-720166.7-73.4-27.1000111.2H410H410-D415 IonicContact CE1-OD1 3.83Å; H410-D415 IonicContact ND1-OD1 3.93Å

Retrieved 415 of 415 residues in 514.5 ms (Link to these results)