A0A5K4EBC8_SCHMA Loading...

Calcyphosine/tpp, putative

AlphaFold DB (A0A3Q0KDR6), UniProt , Accession A0A5K4EBC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 217 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
1M43.4Very low55.5Low192 Ų192112.5 Ų112.595%0.94654%0.541SS*.  0-46.10-88.8-164.2-6900113R5M1-R5 PolarHBondContact O-N 3.35Å
2E39.2Very low57Low174 Ų174113.8 Ų113.881%0.81355%0.545SS*.Hα-helixtrans-67.8-40.9175.7-88.2-177.5147.300113.6R5 S6E2-R5 PolarHBondContact O-N 3.26Å; E2-S6 WeakPolarHBondContact O-CB 3.48Å; E2-S6 PolarHBondContact O-N 3.39Å
3T47.4Very low58Low71 Ų71112 Ų11244%0.43653%0.534SS..Hα-helixtrans-61-48.5177.98.40000112.4R5 S6 D7T3-R5 VanDerWaalsContact C-N 3.29Å; T3-R5 PolarHBondContact O-N 3.15Å; T3-S6 WeakPolarHBondContact O-CB 3.49Å; T3-S6 PolarHBondContact O-N 3.3Å; T3-S6 VanDerWaalsContact O-N 3.15Å; T3-D7 PolarHBondContact O-N 3.5Å
4E47.8Very low58.9Low136 Ų136104.1 Ų104.164%0.63650%0.496SS*.Hα-helixtrans-61.8-35.4176.7-71.8177.5140.200113.1K8E4-K8 WeakPolarHBondContact O-CB 3.44Å; E4-K8 PolarHBondContact O-N 3.46Å
5R53.1Low60.2Low208 Ų208108.9 Ų108.979%0.78551%0.507SS*.Hα-helixtrans-71.3-37.2177.4-158.3179.1-172.4-178.53111M1 E2 T3 L9M1-R5 PolarHBondContact O-N 3.35Å; E2-R5 PolarHBondContact O-N 3.26Å; T3-R5 VanDerWaalsContact C-N 3.29Å; T3-R5 PolarHBondContact O-N 3.15Å; R5-L9 WeakPolarHBondContact O-CB 3.22Å; R5-L9 PolarHBondContact O-N 2.98Å
6S57.4Low61.3Low60 Ų60112 Ų11242%0.4252%0.519SS..Hα-helixtrans-64.1-49.1172.7-172.40000111.4E2 T3 K8 L9 L10E2-S6 WeakPolarHBondContact O-CB 3.48Å; E2-S6 PolarHBondContact O-N 3.39Å; T3-S6 WeakPolarHBondContact O-CB 3.49Å; T3-S6 PolarHBondContact O-N 3.3Å; T3-S6 VanDerWaalsContact O-N 3.15Å; S6-K8 PolarHBondContact O-N 3.3Å; S6-L9 WeakPolarHBondContact O-CB 3.49Å; S6-L9 PolarHBondContact O-N 2.93Å; S6-L9 VanDerWaalsContact O-N 3.16Å; S6-L10 WeakPolarHBondContact O-CD1 3.45Å; S6-L10 PolarHBondContact O-N 3.17Å
7D58.5Low62.2Low53 Ų53107.6 Ų107.628%0.28350%0.498SS..Hα-helixtrans-62.7-44.1-179-73.8-23.8000111.9T3 L9 L10 Q11 S38T3-D7 PolarHBondContact O-N 3.5Å; D7-L9 VanDerWaalsContact C-N 3.33Å; D7-L9 PolarHBondContact O-N 3.15Å; D7-L10 WeakPolarHBondContact O-CB 3.38Å; D7-L10 PolarHBondContact O-N 3.16Å; D7-L10 VanDerWaalsContact O-N 3.15Å; D7-Q11 WeakPolarHBondContact O-CG 3.35Å; D7-Q11 PolarHBondContact O-N 3.4Å; D7-S38 PolarHBondContact OD1-OG 3.21Å
8K67.3Low63.1Low151 Ų151104.4 Ų104.466%0.65749%0.485SS*.Hα-helixtrans-58.9-43173.6-85.5-174175.4179.20112.5E4 S6 L10 Q11 E12E4-K8 WeakPolarHBondContact O-CB 3.44Å; E4-K8 PolarHBondContact O-N 3.46Å; S6-K8 PolarHBondContact O-N 3.3Å; K8-L10 VanDerWaalsContact C-N 3.31Å; K8-L10 PolarHBondContact O-N 3.2Å; K8-Q11 PolarHBondContact O-N 3.47Å; K8-E12 PolarHBondContact O-N 2.95Å
9L65.3Low63.8Low85 Ų85103.6 Ų103.645%0.44550%0.499SS..Hα-helixtrans-66.2-35.3177.6-161.689000111.5R5 S6 D7 K13R5-L9 WeakPolarHBondContact O-CB 3.22Å; R5-L9 PolarHBondContact O-N 2.98Å; S6-L9 WeakPolarHBondContact O-CB 3.49Å; S6-L9 PolarHBondContact O-N 2.93Å; S6-L9 VanDerWaalsContact O-N 3.16Å; D7-L9 VanDerWaalsContact C-N 3.33Å; D7-L9 PolarHBondContact O-N 3.15Å; L9-K13 WeakPolarHBondContact O-CB 3.29Å; L9-K13 VanDerWaalsContact O-CG 3.29Å; L9-K13 WeakPolarHBondContact O-CG 3.46Å; L9-K13 PolarHBondContact O-N 3.31Å; L9-K13 VanDerWaalsContact O-N 3.15Å
10L62.7Low64.6Low40 Ų40103.7 Ų103.721%0.20950%0.497CS..Hα-helixtrans-65.4-45.1173-96.597.6000111.5S6 D7 K8 K13 A14 L33S6-L10 WeakPolarHBondContact O-CD1 3.45Å; S6-L10 PolarHBondContact O-N 3.17Å; D7-L10 WeakPolarHBondContact O-CB 3.38Å; D7-L10 PolarHBondContact O-N 3.16Å; D7-L10 VanDerWaalsContact O-N 3.15Å; K8-L10 VanDerWaalsContact C-N 3.31Å; K8-L10 PolarHBondContact O-N 3.2Å; L10-K13 PolarHBondContact O-N 2.87Å; L10-A14 WeakPolarHBondContact O-CB 3.34Å; L10-A14 PolarHBondContact O-N 3.15Å; L10-L33 HydrophobicContact CB-CD2 4.31Å; L10-L33 HydrophobicContact CD2-CD1 3.79Å; L10-L33 HydrophobicContact CD2-CD2 3.8Å; L10-L33 HydrophobicContact CD2-CG 4.04Å; L10-L33 HydrophobicContact CG-CD2 4.45Å
11Q68.3Low65.3Low68 Ų68106.4 Ų106.432%0.31851%0.514SS..Hα-helixtrans-62.2-45.1177.6-69.8176.8-2.800112.1D7 K8 K13 A14 R15 L34D7-Q11 WeakPolarHBondContact O-CG 3.35Å; D7-Q11 PolarHBondContact O-N 3.4Å; K8-Q11 PolarHBondContact O-N 3.47Å; Q11-K13 VanDerWaalsContact C-N 3.3Å; Q11-K13 PolarHBondContact O-N 3.47Å; Q11-A14 PolarHBondContact O-N 3.29Å; Q11-R15 PolarHBondContact O-N 3.03Å; Q11-L34 PolarHBondContact NE2-O 2.88Å
12E73.8Confident67.1Low127 Ų12798 Ų9859%0.59347%0.473SS*.Hα-helixtrans-59.6-41175.1-85.2-170.6145.900112.1K8 R15 K16K8-E12 PolarHBondContact O-N 2.95Å; E12-R15 WeakPolarHBondContact O-CB 3.28Å; E12-R15 PolarHBondContact O-N 2.85Å; E12-K16 PolarHBondContact O-N 3.27Å
13K69.4Low69.3Low91 Ų9196.3 Ų96.340%0.39646%0.463SS..Hα-helixtrans-68.7-41.3177.5-75178.5-179.5-174.50111.9L9 L10 Q11 R15 K16 Q17 K114L9-K13 WeakPolarHBondContact O-CB 3.29Å; L9-K13 VanDerWaalsContact O-CG 3.29Å; L9-K13 WeakPolarHBondContact O-CG 3.46Å; L9-K13 PolarHBondContact O-N 3.31Å; L9-K13 VanDerWaalsContact O-N 3.15Å; L10-K13 PolarHBondContact O-N 2.87Å; Q11-K13 VanDerWaalsContact C-N 3.3Å; Q11-K13 PolarHBondContact O-N 3.47Å; K13-R15 VanDerWaalsContact C-N 3.31Å; K13-R15 PolarHBondContact O-N 3.28Å; K13-K16 PolarHBondContact O-N 2.92Å; K13-K16 VanDerWaalsContact O-N 3.17Å; K13-Q17 PolarHBondContact O-N 2.88Å; K13-K114 HydrophobicContact CD-CD 4.06Å
14A71.2Confident71.1Confident1 Ų193.6 Ų93.61%0.00845%0.446CS..Hα-helixtrans-60.3-42.117600000111.3L10 Q11 K16 Q17 L18 Y30 L33 L34L10-A14 WeakPolarHBondContact O-CB 3.34Å; L10-A14 PolarHBondContact O-N 3.15Å; Q11-A14 PolarHBondContact O-N 3.29Å; A14-K16 VanDerWaalsContact C-N 3.28Å; A14-K16 PolarHBondContact O-N 2.86Å; A14-Q17 PolarHBondContact O-N 3.06Å; A14-L18 PolarHBondContact O-N 3.31Å; A14-Y30 HydrophobicContact CB-CD1 4.09Å; A14-L33 HydrophobicContact CB-CB 4.35Å; A14-L33 HydrophobicContact CB-CD2 3.94Å; A14-L34 HydrophobicContact CB-CD1 3.7Å
15R77.8Confident72.9Confident177 Ų17787.3 Ų87.367%0.66842%0.417SS*.Hα-helixtrans-55-42.3173.4-106.7175.8-162.3-176.14.7112.6Q11 E12 K13 Q17 L34Q11-R15 PolarHBondContact O-N 3.03Å; E12-R15 WeakPolarHBondContact O-CB 3.28Å; E12-R15 PolarHBondContact O-N 2.85Å; K13-R15 VanDerWaalsContact C-N 3.31Å; K13-R15 PolarHBondContact O-N 3.28Å; R15-Q17 VanDerWaalsContact C-N 3.34Å; R15-L34 HydrophobicContact CB-CD1 4.12Å; R15-L34 HydrophobicContact CG-CD1 3.69Å; R15-L34 HydrophobicContact CG-CD2 4.3Å; R15-L34 HydrophobicContact CG-CG 4.49Å
16K78Confident74.2Confident158 Ų15878.3 Ų78.369%0.68738%0.384SS*.Hα-helixtrans-68.4-30.9178.3-69.6-176.5-178.6-176.50113.2E12 K13 A14E12-K16 PolarHBondContact O-N 3.27Å; K13-K16 PolarHBondContact O-N 2.92Å; K13-K16 VanDerWaalsContact O-N 3.17Å; A14-K16 VanDerWaalsContact C-N 3.28Å; A14-K16 PolarHBondContact O-N 2.86Å
17Q77.8Confident75.5Confident37 Ų3777.6 Ų77.617%0.17337%0.373CS..Hα-helixtrans-76.7-37.5178-61.5-63.2-11.200111.7K13 A14 R15 A19 K20 L22 Y30K13-Q17 PolarHBondContact O-N 2.88Å; A14-Q17 PolarHBondContact O-N 3.06Å; R15-Q17 VanDerWaalsContact C-N 3.34Å; Q17-A19 PolarHBondContact O-N 3.2Å; Q17-K20 WeakPolarHBondContact O-CB 3.45Å; Q17-K20 PolarHBondContact O-N 3.04Å; Q17-K20 VanDerWaalsContact OE1-CE 3.28Å; Q17-L22 VanDerWaalsContact O-CD1 3.28Å; Q17-L22 WeakPolarHBondContact O-CD1 3.43Å; Q17-Y30 HydrophobicContact CB-CD1 4.08Å; Q17-Y30 HydrophobicContact CB-CD2 3.79Å; Q17-Y30 HydrophobicContact CB-CE1 3.83Å; Q17-Y30 HydrophobicContact CB-CE2 3.5Å; Q17-Y30 HydrophobicContact CB-CG 4.07Å; Q17-Y30 HydrophobicContact CG-CD1 4.38Å; Q17-Y30 HydrophobicContact CG-CE1 3.76Å; Q17-Y30 HydrophobicContact CG-CE2 4.11Å
18L77Confident76.7Confident50 Ų5075.4 Ų75.426%0.26236%0.361SS..THydrogen-bonded Turntrans-60.7-15.3175.1-75.4164.8000114A14 K20 K27 Q31 L34A14-L18 PolarHBondContact O-N 3.31Å; L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K27 HydrophobicContact CD2-CB 4.39Å; L18-Q31 HydrophobicContact CD1-CG 3.98Å; L18-Q31 HydrophobicContact CD2-CG 4.01Å; L18-L34 HydrophobicContact CD1-CD1 3.85Å
19A76.6Confident77.4Confident90 Ų9069.6 Ų69.674%0.74434%0.335SS*.THydrogen-bonded Turntrans-81.1-3.6172.700000113.7Q17Q17-A19 PolarHBondContact O-N 3.2Å
20K80Confident78Confident105 Ų10567.1 Ų67.146%0.45732%0.32SS..SBendtrans-100.3162.5178.1-60.1-178-177.6171.60110.7Q17 L18 L22Q17-K20 WeakPolarHBondContact O-CB 3.45Å; Q17-K20 PolarHBondContact O-N 3.04Å; Q17-K20 VanDerWaalsContact OE1-CE 3.28Å; L18-K20 VanDerWaalsContact C-N 3.27Å; K20-L22 HydrophobicContact CB-CG 4.38Å; K20-L22 PolarHBondContact O-N 3.29Å
21D79.8Confident78.9Confident160 Ų16067 Ų6786%0.85632%0.318SS*.  trans-73.7115.9168.3-158.214.2000109.1
22L80.8Confident79.3Confident17 Ų1764 Ų649%0.08931%0.306CS..  trans-131.6148.9-169.7-72.1176000108.7Q17 K20 E26 K27 Y30Q17-L22 VanDerWaalsContact O-CD1 3.28Å; Q17-L22 WeakPolarHBondContact O-CD1 3.43Å; K20-L22 HydrophobicContact CB-CG 4.38Å; K20-L22 PolarHBondContact O-N 3.29Å; L22-E26 WeakPolarHBondContact CA-OE2 3.45Å; L22-E26 HydrophobicContact CB-CB 4.1Å; L22-E26 HydrophobicContact CD2-CB 4.32Å; L22-E26 WeakPolarHBondContact CD2-OE2 3.32Å; L22-K27 HydrophobicContact CB-CG 3.91Å; L22-K27 WeakPolarHBondContact O-CE 3.47Å; L22-Y30 HydrophobicContact CD1-CD2 3.52Å; L22-Y30 HydrophobicContact CD1-CE2 3.69Å; L22-Y30 HydrophobicContact CD2-CE2 4.13Å
23K85.1Confident79.3Confident138 Ų13859.9 Ų59.960%0.629%0.287SS*.  trans-60.5152.6169.5-65.4-175.4173.7-170.90110.5I25 E26 K27K23-I25 VanDerWaalsContact C-N 3.31Å; K23-I25 PolarHBondContact O-N 2.86Å; K23-E26 HydrophobicContact CB-CG 4.07Å; K23-E26 PolarHBondContact N-OE2 3.01Å; K23-E26 WeakPolarHBondContact O-CB 3.46Å; K23-E26 PolarHBondContact O-N 2.93Å; K23-K27 PolarHBondContact O-N 3.17Å; K23-K27 VanDerWaalsContact O-N 3.13Å
24P86.8Confident79.5Confident13 Ų1357.2 Ų57.28%0.08428%0.277CS..Hα-helixtrans-50.1-47.3-179.6-32.439.6000114E26 K27 L28 L74 E78 I82P24-E26 VanDerWaalsContact C-N 3.26Å; P24-E26 PolarHBondContact O-N 3.38Å; P24-K27 WeakPolarHBondContact O-CB 3.45Å; P24-K27 PolarHBondContact O-N 3.49Å; P24-L28 PolarHBondContact O-N 3.27Å; P24-L28 VanDerWaalsContact O-N 3.13Å; P24-L74 HydrophobicContact CB-CD2 4.16Å; P24-E78 HydrophobicContact CB-CB 4.06Å; P24-E78 HydrophobicContact CB-CG 4.4Å; P24-E78 HydrophobicContact CG-CB 4Å; P24-E78 HydrophobicContact CG-CG 3.84Å; P24-I82 VanDerWaalsContact C-CD1 3.43Å; P24-I82 HydrophobicContact CB-CD1 3.61Å; P24-I82 HydrophobicContact CB-CG1 3.5Å; P24-I82 VanDerWaalsContact CB-CG1 3.5Å; P24-I82 WeakPolarHBondContact O-CD1 3.45Å
25I84.3Confident79.7Confident4 Ų463 Ų632%0.02130%0.299CS..Hα-helixtrans-66.5-28.5-179-163.8152.7000113.1K23 L28 R29 I82 E85 I86K23-I25 VanDerWaalsContact C-N 3.31Å; K23-I25 PolarHBondContact O-N 2.86Å; I25-L28 PolarHBondContact O-N 2.8Å; I25-R29 VanDerWaalsContact O-CG 3.3Å; I25-R29 WeakPolarHBondContact O-CG 3.12Å; I25-R29 PolarHBondContact O-N 3.05Å; I25-I82 HydrophobicContact CB-CG1 4.27Å; I25-I82 HydrophobicContact CB-CG2 4.44Å; I25-I82 HydrophobicContact CD1-CG2 4.17Å; I25-I82 HydrophobicContact CG1-CG2 4.22Å; I25-E85 HydrophobicContact CD1-CG 4.31Å; I25-I86 HydrophobicContact CD1-CD1 4.35Å; I25-I86 HydrophobicContact CD1-CG1 4Å
26E81.3Confident79.1Confident19 Ų1956.1 Ų56.19%0.08928%0.282CS..Hα-helixtrans-72.7-40.6176.8-60.9167.1161.900110.9L22 K23 P24 L28 R29 Y30 Y109L22-E26 WeakPolarHBondContact CA-OE2 3.45Å; L22-E26 HydrophobicContact CB-CB 4.1Å; L22-E26 HydrophobicContact CD2-CB 4.32Å; L22-E26 WeakPolarHBondContact CD2-OE2 3.32Å; K23-E26 HydrophobicContact CB-CG 4.07Å; K23-E26 PolarHBondContact N-OE2 3.01Å; K23-E26 WeakPolarHBondContact O-CB 3.46Å; K23-E26 PolarHBondContact O-N 2.93Å; P24-E26 VanDerWaalsContact C-N 3.26Å; P24-E26 PolarHBondContact O-N 3.38Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.4Å; E26-R29 PolarHBondContact O-N 3.47Å; E26-Y30 WeakPolarHBondContact O-CD2 3.47Å; E26-Y30 PolarHBondContact O-N 3.48Å; E26-Y109 HydrophobicContact CG-CE2 4.43Å; E26-Y109 WeakPolarHBondContact OE1-CE2 3.43Å; E26-Y109 PolarHBondContact OE1-OH 3.16Å; E26-Y109 PolarHBondContact OE2-OH 2.96Å
27K84.2Confident78.5Confident46 Ų4648.9 Ų48.920%0.225%0.252CS..Hα-helixtrans-56.9-46.3172.3-64.5174.1-177.8170.80110.3L18 L22 K23 P24 Y30 Q31 V72 L74 E78L18-K27 HydrophobicContact CD2-CB 4.39Å; L22-K27 HydrophobicContact CB-CG 3.91Å; L22-K27 WeakPolarHBondContact O-CE 3.47Å; K23-K27 PolarHBondContact O-N 3.17Å; K23-K27 VanDerWaalsContact O-N 3.13Å; P24-K27 WeakPolarHBondContact O-CB 3.45Å; P24-K27 PolarHBondContact O-N 3.49Å; K27-Y30 PolarHBondContact O-N 3.23Å; K27-Q31 PolarHBondContact O-N 3.39Å; K27-V72 HydrophobicContact CB-CG1 4.12Å; K27-L74 HydrophobicContact CB-CD2 4.28Å; K27-L74 HydrophobicContact CD-CD2 3.65Å; K27-E78 IonicContact NZ-OE1 2.81Å; K27-E78 PolarHBondContact NZ-OE1 3.43Å
28L84.2Confident77.7Confident6 Ų649.6 Ų49.63%0.03126%0.262CS..Hα-helixtrans-60.5-50177.2-17960.1000111.6P24 I25 E26 Y30 Q31 C32 F63 V72 I82 L103P24-L28 PolarHBondContact O-N 3.27Å; P24-L28 VanDerWaalsContact O-N 3.13Å; I25-L28 PolarHBondContact O-N 2.8Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.4Å; L28-Y30 PolarHBondContact O-N 3.05Å; L28-Q31 PolarHBondContact O-N 3.04Å; L28-C32 PolarHBondContact O-N 2.92Å; L28-C32 PolarHBondContact O-SG 3.14Å; L28-C32 VanDerWaalsContact O-SG 3.37Å; L28-F63 HydrophobicContact CD2-CE2 4.14Å; L28-F63 HydrophobicContact CD2-CZ 3.71Å; L28-V72 HydrophobicContact CD1-CG2 3.85Å; L28-I82 HydrophobicContact CB-CD1 4.3Å; L28-I82 HydrophobicContact CD2-CD1 4.38Å; L28-I82 HydrophobicContact CD2-CG2 3.85Å; L28-L103 HydrophobicContact CD2-CD2 3.67Å; L28-L103 HydrophobicContact CG-CD2 3.71Å
29R80.7Confident76.9Confident30 Ų3048.1 Ų48.111%0.11326%0.258CS..Hα-helixtrans-54.6-48.4177.1-76171.5176.8153.55.6112.4I25 E26 Q31 C32 L33 S102 L103I25-R29 VanDerWaalsContact O-CG 3.3Å; I25-R29 WeakPolarHBondContact O-CG 3.12Å; I25-R29 PolarHBondContact O-N 3.05Å; E26-R29 PolarHBondContact O-N 3.47Å; R29-Q31 PolarHBondContact O-N 2.95Å; R29-C32 PolarHBondContact O-N 2.91Å; R29-L33 PolarHBondContact O-N 2.94Å; R29-S102 PolarHBondContact NE-O 3.1Å; R29-S102 PolarHBondContact NH2-O 3.41Å; R29-L103 HydrophobicContact CG-CD2 4.33Å
30Y78.6Confident76.4Confident32 Ų3247 Ų4713%0.12524%0.239CC..Hα-helixtrans-67.5-34.9179.9-72.8-56000112.9A14 Q17 L22 E26 K27 L28 L33 L34A14-Y30 HydrophobicContact CB-CD1 4.09Å; Q17-Y30 HydrophobicContact CB-CD1 4.08Å; Q17-Y30 HydrophobicContact CB-CD2 3.79Å; Q17-Y30 HydrophobicContact CB-CE1 3.83Å; Q17-Y30 HydrophobicContact CB-CE2 3.5Å; Q17-Y30 HydrophobicContact CB-CG 4.07Å; Q17-Y30 HydrophobicContact CG-CD1 4.38Å; Q17-Y30 HydrophobicContact CG-CE1 3.76Å; Q17-Y30 HydrophobicContact CG-CE2 4.11Å; L22-Y30 HydrophobicContact CD1-CD2 3.52Å; L22-Y30 HydrophobicContact CD1-CE2 3.69Å; L22-Y30 HydrophobicContact CD2-CE2 4.13Å; E26-Y30 WeakPolarHBondContact O-CD2 3.47Å; E26-Y30 PolarHBondContact O-N 3.48Å; K27-Y30 PolarHBondContact O-N 3.23Å; L28-Y30 PolarHBondContact O-N 3.05Å; Y30-L33 WeakPolarHBondContact O-CB 3.06Å; Y30-L33 PolarHBondContact O-N 3.38Å; Y30-L34 PolarHBondContact O-N 3.1Å
31Q80.5Confident75.8Confident37 Ų3745 Ų4517%0.17324%0.243CC..Hα-helixtrans-68.7-41.6175.5-79.4-6711.300112.7L18 K27 L28 R29 L33 L34 R35 G71 V72L18-Q31 HydrophobicContact CD1-CG 3.98Å; L18-Q31 HydrophobicContact CD2-CG 4.01Å; K27-Q31 PolarHBondContact O-N 3.39Å; L28-Q31 PolarHBondContact O-N 3.04Å; R29-Q31 PolarHBondContact O-N 2.95Å; Q31-L33 VanDerWaalsContact C-N 3.28Å; Q31-L33 PolarHBondContact O-N 3.49Å; Q31-L34 WeakPolarHBondContact O-CB 3.46Å; Q31-L34 PolarHBondContact O-N 3.27Å; Q31-L34 VanDerWaalsContact O-N 3.1Å; Q31-R35 WeakPolarHBondContact O-CG 3.34Å; Q31-R35 PolarHBondContact O-N 3.18Å; Q31-G71 PolarHBondContact NE2-O 3.44Å; Q31-V72 HydrophobicContact CB-CG2 3.71Å; Q31-V72 HydrophobicContact CG-CB 4.34Å; Q31-V72 HydrophobicContact CG-CG1 4.08Å; Q31-V72 HydrophobicContact CG-CG2 3.91Å
32C78Confident75.4Confident7 Ų737.6 Ų37.65%0.04720%0.203CC..Hα-helixtrans-56.8-45.5171.7-69.70000110.8L28 R29 L34 R35 G36 A37L28-C32 PolarHBondContact O-N 2.92Å; L28-C32 PolarHBondContact O-SG 3.14Å; L28-C32 VanDerWaalsContact O-SG 3.37Å; R29-C32 PolarHBondContact O-N 2.91Å; C32-L34 VanDerWaalsContact C-N 3.3Å; C32-L34 PolarHBondContact O-N 3.46Å; C32-R35 PolarHBondContact O-N 2.88Å; C32-G36 PolarHBondContact O-N 3.2Å; C32-A37 HydrophobicContact CB-CB 4.03Å; C32-A37 WeakPolarHBondContact O-CB 3.49Å; C32-A37 PolarHBondContact O-N 3.5Å
33L73.1Confident75.2Confident39 Ų3937.2 Ų37.220%0.20420%0.201CC..Hα-helixtrans-60.3-40176-156.976.1000112.1L10 A14 R29 Y30 Q31 R35 G36L10-L33 HydrophobicContact CB-CD2 4.31Å; L10-L33 HydrophobicContact CD2-CD1 3.79Å; L10-L33 HydrophobicContact CD2-CD2 3.8Å; L10-L33 HydrophobicContact CD2-CG 4.04Å; L10-L33 HydrophobicContact CG-CD2 4.45Å; A14-L33 HydrophobicContact CB-CB 4.35Å; A14-L33 HydrophobicContact CB-CD2 3.94Å; R29-L33 PolarHBondContact O-N 2.94Å; Y30-L33 WeakPolarHBondContact O-CB 3.06Å; Y30-L33 PolarHBondContact O-N 3.38Å; Q31-L33 VanDerWaalsContact C-N 3.28Å; Q31-L33 PolarHBondContact O-N 3.49Å; L33-R35 VanDerWaalsContact C-N 3.29Å; L33-R35 PolarHBondContact O-N 3.41Å; L33-G36 PolarHBondContact O-N 2.83Å; L33-G36 VanDerWaalsContact O-N 3.1Å
34L74.6Confident75Confident35 Ų3530.8 Ų30.818%0.18317%0.174CC..Hα-helixtrans-62.3-37.5178.6-135.2110.3000112.7Q11 A14 R15 L18 Y30 Q31 C32 G36Q11-L34 PolarHBondContact NE2-O 2.88Å; A14-L34 HydrophobicContact CB-CD1 3.7Å; R15-L34 HydrophobicContact CB-CD1 4.12Å; R15-L34 HydrophobicContact CG-CD1 3.69Å; R15-L34 HydrophobicContact CG-CD2 4.3Å; R15-L34 HydrophobicContact CG-CG 4.49Å; L18-L34 HydrophobicContact CD1-CD1 3.85Å; Y30-L34 PolarHBondContact O-N 3.1Å; Q31-L34 WeakPolarHBondContact O-CB 3.46Å; Q31-L34 PolarHBondContact O-N 3.27Å; Q31-L34 VanDerWaalsContact O-N 3.1Å; C32-L34 VanDerWaalsContact C-N 3.3Å; C32-L34 PolarHBondContact O-N 3.46Å; L34-G36 PolarHBondContact O-N 2.95Å
35R74.2Confident74.8Confident123 Ų12337.4 Ų37.446%0.46420%0.197SC..THydrogen-bonded Turntrans-75.92.3177.6-68.8-86.4179.4114.2-3.6113.1Q31 C32 L33 D69 F70Q31-R35 WeakPolarHBondContact O-CG 3.34Å; Q31-R35 PolarHBondContact O-N 3.18Å; C32-R35 PolarHBondContact O-N 2.88Å; L33-R35 VanDerWaalsContact C-N 3.29Å; L33-R35 PolarHBondContact O-N 3.41Å; R35-D69 PolarHBondContact NH1-O 3.16Å; R35-D69 PolarHBondContact NH2-O 3.09Å; R35-F70 HydrophobicContact CB-CD1 4.49Å; R35-F70 HydrophobicContact CB-CE1 4.41Å; R35-F70 HydrophobicContact CG-CD1 3.98Å; R35-F70 HydrophobicContact CG-CE1 4.33Å; R35-F70 VanDerWaalsContact CZ-O 3.3Å; R35-F70 PolarHBondContact NH2-O 2.97Å
36G65.4Low74.7Confident32 Ų3238.5 Ų38.533%0.3320%0.202SC..THydrogen-bonded Turntrans78.621.7-177.700000113.3C32 L33 L34 S38C32-G36 PolarHBondContact O-N 3.2Å; L33-G36 PolarHBondContact O-N 2.83Å; L33-G36 VanDerWaalsContact O-N 3.1Å; L34-G36 PolarHBondContact O-N 2.95Å; G36-S38 PolarHBondContact O-N 3.47Å
37A64.6Low75Confident6 Ų637.8 Ų37.85%0.0520%0.199CC..  trans-74.559.1166.200000110.2C32 I43 Q46C32-A37 HydrophobicContact CB-CB 4.03Å; C32-A37 WeakPolarHBondContact O-CB 3.49Å; C32-A37 PolarHBondContact O-N 3.5Å; A37-I43 HydrophobicContact CB-CG1 4.3Å; A37-Q46 HydrophobicContact CB-CG 3.74Å
38S62.3Low75.2Confident53 Ų5343 Ų4337%0.37122%0.218SC..  trans-85.3125.4173.5176.70000108.5D7 G36 G42D7-S38 PolarHBondContact OD1-OG 3.21Å; G36-S38 PolarHBondContact O-N 3.47Å; S38-G42 PolarHBondContact O-N 3.44Å
39G60.1Low75.3Confident19 Ų1947.8 Ų47.820%0.19624%0.242CC..Hα-helixtrans66.8-174.3179.200000115.3A41 G42 I43G39-A41 PolarHBondContact O-N 2.83Å; G39-G42 PolarHBondContact O-N 2.63Å; G39-I43 WeakPolarHBondContact O-CG1 3.31Å; G39-I43 PolarHBondContact O-N 3.27Å; G39-I43 VanDerWaalsContact O-N 3.08Å
40I66.3Low75.8Confident66 Ų6646.9 Ų46.934%0.33824%0.239SC..Hα-helixtrans-65-39-171.7-164.6132000112.7G44 L100I40-G44 PolarHBondContact O-N 2.78Å; I40-L100 HydrophobicContact CB-CD1 4.37Å; I40-L100 HydrophobicContact CD1-CD1 3.68Å; I40-L100 HydrophobicContact CD1-CD2 3.57Å; I40-L100 HydrophobicContact CD1-CG 4.25Å; I40-L100 HydrophobicContact CG1-CD1 3.58Å; I40-L100 HydrophobicContact CG1-CD2 4.43Å
41A66.1Low76.4Confident64 Ų6446.2 Ų46.253%0.52924%0.238SC..Hα-helixtrans-69.7-36.7-179.700000112G39 R45G39-A41 PolarHBondContact O-N 2.83Å; A41-R45 PolarHBondContact O-N 3.17Å
42G72.2Confident76.9Confident3 Ų349.2 Ų49.23%0.03126%0.255CS..Hα-helixtrans-64.9-54.4175.300000111.3S38 G39 G44 R45 Q46S38-G42 PolarHBondContact O-N 3.44Å; G39-G42 PolarHBondContact O-N 2.63Å; G42-G44 VanDerWaalsContact C-N 3.31Å; G42-G44 PolarHBondContact O-N 3.34Å; G42-R45 WeakPolarHBondContact O-CB 3.33Å; G42-R45 PolarHBondContact O-N 2.84Å; G42-Q46 WeakPolarHBondContact O-CG 3.46Å; G42-Q46 PolarHBondContact O-N 3.43Å
43I76.3Confident77.6Confident10 Ų1053.7 Ų53.75%0.05128%0.279CS..Hα-helixtrans-59-44.5178.1-64.4170.5000110.6A37 G39 R45 Q46 F47 F99 L100 L103 R104A37-I43 HydrophobicContact CB-CG1 4.3Å; G39-I43 WeakPolarHBondContact O-CG1 3.31Å; G39-I43 PolarHBondContact O-N 3.27Å; G39-I43 VanDerWaalsContact O-N 3.08Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 2.72Å; I43-Q46 WeakPolarHBondContact O-CA 3.47Å; I43-Q46 WeakPolarHBondContact O-CB 2.82Å; I43-Q46 PolarHBondContact O-N 2.97Å; I43-F47 PolarHBondContact O-N 3.13Å; I43-F99 HydrophobicContact CG2-CD1 3.81Å; I43-F99 HydrophobicContact CG2-CE1 3.85Å; I43-L100 HydrophobicContact CB-CD1 4.28Å; I43-L100 HydrophobicContact CG2-CD1 4.06Å; I43-L103 HydrophobicContact CD1-CB 4.49Å; I43-L103 HydrophobicContact CG2-CD1 4.5Å; I43-R104 HydrophobicContact CD1-CG 4.33Å
44G80.4Confident78.5Confident2 Ų254.2 Ų54.22%0.02129%0.293CS..Hα-helixtrans-70.6-24-179.100000115I40 G42 Q46 R48I40-G44 PolarHBondContact O-N 2.78Å; G42-G44 VanDerWaalsContact C-N 3.31Å; G42-G44 PolarHBondContact O-N 3.34Å; G44-Q46 VanDerWaalsContact C-N 3.35Å; G44-R48 WeakPolarHBondContact O-CG 3.45Å; G44-R48 VanDerWaalsContact O-CZ 3.26Å; G44-R48 PolarHBondContact O-N 2.81Å; G44-R48 PolarHBondContact O-NH1 2.54Å
45R82.5Confident79.4Confident152 Ų15255.5 Ų55.557%0.57430%0.3SS*.Hα-helixtrans-64.5-42.3166.2-108.5-170.7-64.3-114.1-0.8111.4A41 G42 I43 R48 I49A41-R45 PolarHBondContact O-N 3.17Å; G42-R45 WeakPolarHBondContact O-CB 3.33Å; G42-R45 PolarHBondContact O-N 2.84Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 2.72Å; R45-R48 PolarHBondContact O-N 3.42Å; R45-I49 WeakPolarHBondContact O-CD1 3.48Å; R45-I49 VanDerWaalsContact O-CG1 3.31Å; R45-I49 WeakPolarHBondContact O-CG1 3.18Å; R45-I49 PolarHBondContact O-N 3.37Å
46Q83.3Confident80.2Confident27 Ų2757.3 Ų57.313%0.12631%0.311CS..Hα-helixtrans-66.5-42.9-179.7-60.4-48.45.300112A37 G42 I43 G44 R48 I49 I50 F70A37-Q46 HydrophobicContact CB-CG 3.74Å; G42-Q46 WeakPolarHBondContact O-CG 3.46Å; G42-Q46 PolarHBondContact O-N 3.43Å; I43-Q46 WeakPolarHBondContact O-CA 3.47Å; I43-Q46 WeakPolarHBondContact O-CB 2.82Å; I43-Q46 PolarHBondContact O-N 2.97Å; G44-Q46 VanDerWaalsContact C-N 3.35Å; Q46-R48 VanDerWaalsContact C-N 3.33Å; Q46-R48 PolarHBondContact O-N 3.43Å; Q46-I49 PolarHBondContact O-N 3.47Å; Q46-I49 VanDerWaalsContact O-N 3.08Å; Q46-I50 WeakPolarHBondContact O-CG1 3.48Å; Q46-I50 PolarHBondContact O-N 3.31Å; Q46-F70 HydrophobicContact CB-CE1 3.98Å; Q46-F70 HydrophobicContact CB-CZ 3.53Å; Q46-F70 HydrophobicContact CG-CE1 3.58Å; Q46-F70 HydrophobicContact CG-CZ 3.56Å
47F87Confident81.6Confident4 Ų459.2 Ų59.22%0.01831%0.311CS..Hα-helixtrans-54.2-50.3174.9-172.7-88.9000111.8I43 I49 I50 D51 K56 L58 F96 F99I43-F47 PolarHBondContact O-N 3.13Å; F47-I49 PolarHBondContact O-N 3.22Å; F47-I50 PolarHBondContact O-N 2.82Å; F47-D51 HydrophobicContact CE1-CB 4.4Å; F47-D51 WeakPolarHBondContact O-CB 3.45Å; F47-D51 PolarHBondContact O-N 3.13Å; F47-K56 WeakPolarHBondContact CZ-O 3.14Å; F47-L58 HydrophobicContact CD2-CD1 3.81Å; F47-L58 HydrophobicContact CD2-CG 4.09Å; F47-L58 HydrophobicContact CE2-CD1 3.77Å; F47-L58 HydrophobicContact CE2-CD2 4.34Å; F47-L58 HydrophobicContact CE2-CG 3.62Å; F47-L58 HydrophobicContact CZ-CD2 4.37Å; F47-L58 HydrophobicContact CZ-CG 3.97Å; F47-F96 HydrophobicContact CB-CD2 4.13Å; F47-F96 HydrophobicContact CB-CE2 4.16Å; F47-F96 AromaticContact CD1-CD2 3.86Å; F47-F96 HydrophobicContact CD1-CD2 3.86Å; F47-F96 HydrophobicContact CD2-CD2 4.17Å; F47-F96 HydrophobicContact CE1-CB 4.48Å; F47-F96 HydrophobicContact CE1-CD2 4.27Å; F47-F96 AromaticContact CG-CD2 3.78Å; F47-F96 HydrophobicContact CG-CD2 3.78Å; F47-F96 HydrophobicContact CG-CE2 4.31Å; F47-F96 HydrophobicContact CZ-CB 4.29Å; F47-F99 HydrophobicContact CB-CD1 3.95Å; F47-F99 HydrophobicContact CB-CE1 3.83Å; F47-F99 HydrophobicContact CD2-CB 3.73Å; F47-F99 AromaticContact CD2-CD1 3.51Å; F47-F99 HydrophobicContact CD2-CD1 3.51Å; F47-F99 HydrophobicContact CD2-CD2 4.12Å; F47-F99 AromaticContact CD2-CE1 3.99Å; F47-F99 HydrophobicContact CD2-CE1 3.99Å; F47-F99 AromaticContact CD2-CG 3.55Å; F47-F99 HydrophobicContact CD2-CG 3.55Å; F47-F99 HydrophobicContact CD2-CZ 4.49Å; F47-F99 HydrophobicContact CE2-CB 3.88Å; F47-F99 HydrophobicContact CE2-CD1 4.47Å; F47-F99 HydrophobicContact CE2-CG 4.12Å; F47-F99 HydrophobicContact CG-CD1 4.21Å; F47-F99 HydrophobicContact CG-CE1 4.44Å
48R88.5Confident83Confident157 Ų15759 Ų5959%0.59231%0.308SS*.Hα-helixtrans-65.6-19.6178.8-71.3-170.9-62.1-87.70.6115G44 R45 Q46G44-R48 WeakPolarHBondContact O-CG 3.45Å; G44-R48 VanDerWaalsContact O-CZ 3.26Å; G44-R48 PolarHBondContact O-N 2.81Å; G44-R48 PolarHBondContact O-NH1 2.54Å; R45-R48 PolarHBondContact O-N 3.42Å; Q46-R48 VanDerWaalsContact C-N 3.33Å; Q46-R48 PolarHBondContact O-N 3.43Å
49I87.6Confident84.6Confident105 Ų10558.9 Ų58.954%0.53830%0.304SS..Hα-helixtrans-81.1-28.8175.5-72.5164.2000110.4R45 Q46 F47R45-I49 WeakPolarHBondContact O-CD1 3.48Å; R45-I49 VanDerWaalsContact O-CG1 3.31Å; R45-I49 WeakPolarHBondContact O-CG1 3.18Å; R45-I49 PolarHBondContact O-N 3.37Å; Q46-I49 PolarHBondContact O-N 3.47Å; Q46-I49 VanDerWaalsContact O-N 3.08Å; F47-I49 PolarHBondContact O-N 3.22Å
50I89.5Confident86.3Confident12 Ų1260.7 Ų60.76%0.06231%0.307CS..Hα-helixtrans-87.8-35.2-177.4-59.8168.2000111.3Q46 F47 D52 L58 E62 F70 F99Q46-I50 WeakPolarHBondContact O-CG1 3.48Å; Q46-I50 PolarHBondContact O-N 3.31Å; F47-I50 PolarHBondContact O-N 2.82Å; I50-D52 PolarHBondContact O-N 3.13Å; I50-L58 HydrophobicContact CB-CD1 4.33Å; I50-L58 HydrophobicContact CB-CD2 4.13Å; I50-L58 HydrophobicContact CG2-CD1 3.98Å; I50-L58 HydrophobicContact CG2-CD2 3.89Å; I50-E62 HydrophobicContact CG2-CB 4.38Å; I50-E62 WeakPolarHBondContact CG2-O 3.44Å; I50-F70 HydrophobicContact CD1-CD2 4.44Å; I50-F70 HydrophobicContact CD1-CE2 3.81Å; I50-F70 HydrophobicContact CD1-CZ 4.29Å; I50-F70 HydrophobicContact CG1-CE2 3.94Å; I50-F99 HydrophobicContact CD1-CZ 4.14Å
51D92.8Very high87.7Confident18 Ų1865.7 Ų65.710%0.09633%0.326CS..  trans-68.188.1175-178.88000110.1F47 G54 N55 K56 L58F47-D51 HydrophobicContact CE1-CB 4.4Å; F47-D51 WeakPolarHBondContact O-CB 3.45Å; F47-D51 PolarHBondContact O-N 3.13Å; D51-G54 VanDerWaalsContact OD1-CA 3.23Å; D51-G54 WeakPolarHBondContact OD1-CA 3.35Å; D51-G54 PolarHBondContact OD1-N 2.92Å; D51-N55 PolarHBondContact OD1-N 2.64Å; D51-K56 VanDerWaalsContact OD2-CA 3.24Å; D51-K56 WeakPolarHBondContact OD2-CA 3.3Å; D51-K56 PolarHBondContact OD2-N 3.24Å; D51-L58 HydrophobicContact CB-CD2 3.67Å
52D90.2Very high89.1Confident100 Ų10063.3 Ų63.354%0.53530%0.304SS..SBendtrans-74.6-35-172.8-86.6-17.9000110.9I50 E62 K65I50-D52 PolarHBondContact O-N 3.13Å; D52-E62 PolarHBondContact N-OE1 3.27Å; D52-K65 IonicContact OD1-NZ 2.83Å; D52-K65 PolarHBondContact OD1-NZ 3.47Å; D52-K65 IonicContact OD2-NZ 2.63Å; D52-K65 PolarHBondContact OD2-NZ 3.34Å
53D93.8Very high90.1Very high101 Ų10163.3 Ų63.354%0.5430%0.303SS..SBendtrans-89.5-12.4-17880.21.3000113.6N55 E62D53-N55 VanDerWaalsContact C-N 3.3Å; D53-N55 PolarHBondContact O-N 2.94Å; D53-N55 WeakPolarHBondContact OD1-CB 3.13Å; D53-N55 PolarHBondContact OD1-N 3.44Å; D53-N55 PolarHBondContact OD1-ND2 2.86Å; D53-N55 PolarHBondContact OD1-OD1 2.99Å; D53-N55 PolarHBondContact OD2-ND2 3.37Å; D53-E62 PolarHBondContact N-OE1 3.35Å
54G90.9Very high90.9Very high50 Ų5064.4 Ų64.452%0.51531%0.312SS..  trans73.918.9175.600000113.7D51 K56D51-G54 VanDerWaalsContact OD1-CA 3.23Å; D51-G54 WeakPolarHBondContact OD1-CA 3.35Å; D51-G54 PolarHBondContact OD1-N 2.92Å; G54-K56 PolarHBondContact O-N 2.89Å
55N93.5Very high91.5Very high61 Ų6168.4 Ų68.433%0.32633%0.328SS..SBendtrans-77.7-1.4-17972.921.6000112.9D51 D53 K57D51-N55 PolarHBondContact OD1-N 2.64Å; D53-N55 VanDerWaalsContact C-N 3.3Å; D53-N55 PolarHBondContact O-N 2.94Å; D53-N55 WeakPolarHBondContact OD1-CB 3.13Å; D53-N55 PolarHBondContact OD1-N 3.44Å; D53-N55 PolarHBondContact OD1-ND2 2.86Å; D53-N55 PolarHBondContact OD1-OD1 2.99Å; D53-N55 PolarHBondContact OD2-ND2 3.37Å; N55-K57 VanDerWaalsContact C-N 3.35Å; N55-K57 WeakPolarHBondContact OD1-CG 3.43Å; N55-K57 PolarHBondContact OD1-N 2.79Å; N55-K57 PolarHBondContact OD1-O 2.84Å
56K91.6Very high91.8Very high161 Ų16161.3 Ų61.370%0.730%0.302SS*.SBendtrans69.721.3-179.8-53.1-179.5179.9176.90115.4F47 D51 G54F47-K56 WeakPolarHBondContact CZ-O 3.14Å; D51-K56 VanDerWaalsContact OD2-CA 3.24Å; D51-K56 WeakPolarHBondContact OD2-CA 3.3Å; D51-K56 PolarHBondContact OD2-N 3.24Å; G54-K56 PolarHBondContact O-N 2.89Å
57K94.5Very high92.1Very high73 Ų7360.2 Ų60.232%0.31730%0.297SS..EExtended strand (participates in β ladder)trans-145.8149174.255.2176.7-174.5163.80108.7N55 F93 I94N55-K57 VanDerWaalsContact C-N 3.35Å; N55-K57 WeakPolarHBondContact OD1-CG 3.43Å; N55-K57 PolarHBondContact OD1-N 2.79Å; N55-K57 PolarHBondContact OD1-O 2.84Å; K57-F93 HydrophobicContact CB-CB 4.13Å; K57-F93 HydrophobicContact CD-CB 3.9Å; K57-F93 HydrophobicContact CD-CD1 3.74Å; K57-F93 HydrophobicContact CD-CD2 4.29Å; K57-F93 HydrophobicContact CD-CE1 4.34Å; K57-F93 HydrophobicContact CD-CG 3.72Å; K57-F93 HydrophobicContact CG-CB 4.34Å; K57-F93 HydrophobicContact CG-CD1 4.11Å; K57-F93 HydrophobicContact CG-CG 4.39Å; K57-I94 CarbonylContact C-O 2.96Å; K57-I94 WeakPolarHBondContact CA-O 3.24Å
58L94.7Very high92.1Very high0 Ų068.1 Ų68.10%033%0.332CS..EExtended strand (participates in β ladder)trans-102.2121.4-177.9-57.1178.7000109.5F47 I50 D51 E62 F63 F93 I94 F99F47-L58 HydrophobicContact CD2-CD1 3.81Å; F47-L58 HydrophobicContact CD2-CG 4.09Å; F47-L58 HydrophobicContact CE2-CD1 3.77Å; F47-L58 HydrophobicContact CE2-CD2 4.34Å; F47-L58 HydrophobicContact CE2-CG 3.62Å; F47-L58 HydrophobicContact CZ-CD2 4.37Å; F47-L58 HydrophobicContact CZ-CG 3.97Å; I50-L58 HydrophobicContact CB-CD1 4.33Å; I50-L58 HydrophobicContact CB-CD2 4.13Å; I50-L58 HydrophobicContact CG2-CD1 3.98Å; I50-L58 HydrophobicContact CG2-CD2 3.89Å; D51-L58 HydrophobicContact CB-CD2 3.67Å; L58-E62 HydrophobicContact CD2-CB 4.37Å; L58-F63 HydrophobicContact CB-CB 4.45Å; L58-F63 HydrophobicContact CD1-CD2 4.34Å; L58-F93 WeakPolarHBondContact O-CA 3.38Å; L58-I94 HydrophobicContact CB-CB 4.33Å; L58-I94 PolarHBondContact N-O 3.16Å; L58-I94 PolarHBondContact O-N 2.77Å; L58-F99 HydrophobicContact CD1-CD2 4.02Å; L58-F99 HydrophobicContact CD1-CE2 3.94Å
59D95.8Very high91.9Very high52 Ų5265.1 Ų65.128%0.27833%0.327SS..  trans-73.3166.4164.28127.6000110.9K61 E62 F63 F93D59-K61 PolarHBondContact O-N 2.8Å; D59-K61 VanDerWaalsContact O-N 3.16Å; D59-K61 VanDerWaalsContact OD1-CA 3.23Å; D59-K61 WeakPolarHBondContact OD1-CA 3.25Å; D59-K61 WeakPolarHBondContact OD1-CB 3.3Å; D59-K61 PolarHBondContact OD1-N 2.94Å; D59-E62 PolarHBondContact N-OE2 3.03Å; D59-E62 PolarHBondContact O-N 3.37Å; D59-E62 PolarHBondContact OD1-N 3.33Å; D59-F63 WeakPolarHBondContact O-CB 3.4Å; D59-F63 PolarHBondContact O-N 3.43Å; D59-F93 HydrophobicContact CB-CD1 4.06Å; D59-F93 HydrophobicContact CB-CE1 4.02Å
60F95.5Very high91.5Very high57 Ų5760.4 Ų60.425%0.2530%0.303CS..Hα-helixtrans-58-31.5-179.7177.5-105.3000113.2S64 V79 K80 F83F60-S64 WeakPolarHBondContact O-CB 3.13Å; F60-S64 PolarHBondContact O-N 3.33Å; F60-V79 HydrophobicContact CE2-CG1 4Å; F60-V79 HydrophobicContact CZ-CG1 4.39Å; F60-K80 HydrophobicContact CD2-CD 3.99Å; F60-K80 HydrophobicContact CE2-CB 3.91Å; F60-K80 HydrophobicContact CE2-CD 3.7Å; F60-K80 HydrophobicContact CE2-CG 4.39Å; F60-K80 HydrophobicContact CZ-CB 4.1Å; F60-K80 HydrophobicContact CZ-CD 4.22Å; F60-F83 VanDerWaalsContact CA-CE2 3.5Å; F60-F83 HydrophobicContact CB-CD2 4.27Å; F60-F83 HydrophobicContact CB-CE2 4.08Å; F60-F83 HydrophobicContact CB-CZ 4.28Å; F60-F83 HydrophobicContact CD2-CB 3.95Å; F60-F83 HydrophobicContact CD2-CD1 4.39Å; F60-F83 AromaticContact CD2-CD2 3.87Å; F60-F83 HydrophobicContact CD2-CD2 3.87Å; F60-F83 AromaticContact CD2-CG 3.8Å; F60-F83 HydrophobicContact CD2-CG 3.8Å; F60-F83 HydrophobicContact CE2-CB 4.27Å
61K95Very high91Very high171 Ų17161.9 Ų61.974%0.74332%0.321SS*.Hα-helixtrans-72.7-45.6-177.6-138.2-177.5-175.2-176.30110.2D59 S64 K65D59-K61 PolarHBondContact O-N 2.8Å; D59-K61 VanDerWaalsContact O-N 3.16Å; D59-K61 VanDerWaalsContact OD1-CA 3.23Å; D59-K61 WeakPolarHBondContact OD1-CA 3.25Å; D59-K61 WeakPolarHBondContact OD1-CB 3.3Å; D59-K61 PolarHBondContact OD1-N 2.94Å; K61-S64 PolarHBondContact O-N 2.88Å; K61-K65 WeakPolarHBondContact O-CB 3.39Å; K61-K65 PolarHBondContact O-N 3.3Å
62E95Very high90.2Very high13 Ų1361.6 Ų61.66%0.06132%0.32CS..Hα-helixtrans-61.5-50.8173.3-68.8176.8131.500110.3I50 D52 D53 L58 D59 S64 K65 G66I50-E62 HydrophobicContact CG2-CB 4.38Å; I50-E62 WeakPolarHBondContact CG2-O 3.44Å; D52-E62 PolarHBondContact N-OE1 3.27Å; D53-E62 PolarHBondContact N-OE1 3.35Å; L58-E62 HydrophobicContact CD2-CB 4.37Å; D59-E62 PolarHBondContact N-OE2 3.03Å; D59-E62 PolarHBondContact O-N 3.37Å; D59-E62 PolarHBondContact OD1-N 3.33Å; E62-S64 VanDerWaalsContact C-N 3.33Å; E62-S64 PolarHBondContact O-N 3.44Å; E62-K65 WeakPolarHBondContact O-CB 3.35Å; E62-K65 PolarHBondContact O-N 3.08Å; E62-G66 PolarHBondContact O-N 2.87Å
63F93.4Very high89.8Confident3 Ų364.4 Ų64.41%0.01334%0.335CS..Hα-helixtrans-58.6-43.2177.6-176.9-103.9000112.6L28 L58 D59 G66 C67 V79 I82 F83 I86 I94 F99L28-F63 HydrophobicContact CD2-CE2 4.14Å; L28-F63 HydrophobicContact CD2-CZ 3.71Å; L58-F63 HydrophobicContact CB-CB 4.45Å; L58-F63 HydrophobicContact CD1-CD2 4.34Å; D59-F63 WeakPolarHBondContact O-CB 3.4Å; D59-F63 PolarHBondContact O-N 3.43Å; F63-G66 PolarHBondContact O-N 3.48Å; F63-C67 PolarHBondContact O-N 3.4Å; F63-C67 PolarHBondContact O-SG 2.98Å; F63-C67 VanDerWaalsContact O-SG 3.33Å; F63-V79 HydrophobicContact CD1-CG1 3.86Å; F63-V79 HydrophobicContact CE1-CG1 3.97Å; F63-I82 HydrophobicContact CE1-CB 4.27Å; F63-I82 HydrophobicContact CE1-CG2 4.05Å; F63-I82 HydrophobicContact CZ-CB 4.36Å; F63-I82 HydrophobicContact CZ-CG2 3.65Å; F63-F83 HydrophobicContact CB-CD2 3.84Å; F63-F83 HydrophobicContact CB-CE2 4.09Å; F63-F83 HydrophobicContact CD1-CB 4.12Å; F63-F83 AromaticContact CD1-CD2 3.73Å; F63-F83 HydrophobicContact CD1-CD2 3.73Å; F63-F83 HydrophobicContact CD1-CG 4.43Å; F63-F83 HydrophobicContact CE1-CB 4.23Å; F63-F83 HydrophobicContact CE1-CD2 4.5Å; F63-F83 AromaticContact CG-CD2 3.87Å; F63-F83 HydrophobicContact CG-CD2 3.87Å; F63-I86 HydrophobicContact CE2-CD1 4.15Å; F63-I86 HydrophobicContact CZ-CD1 4.01Å; F63-I94 HydrophobicContact CD1-CD1 4.49Å; F63-I94 HydrophobicContact CD2-CD1 3.83Å; F63-I94 HydrophobicContact CE2-CD1 4.05Å; F63-I94 HydrophobicContact CG-CD1 4.06Å; F63-I94 HydrophobicContact CZ-CD1 4.48Å; F63-F99 HydrophobicContact CD2-CE2 4.41Å; F63-F99 HydrophobicContact CE2-CE2 4.14Å
64S93.3Very high89.4Confident34 Ų3460.9 Ų60.924%0.23832%0.316CS..Hα-helixtrans-65.9-42.5178-176.80000112.4F60 K61 E62 G66 C67 K68F60-S64 WeakPolarHBondContact O-CB 3.13Å; F60-S64 PolarHBondContact O-N 3.33Å; K61-S64 PolarHBondContact O-N 2.88Å; E62-S64 VanDerWaalsContact C-N 3.33Å; E62-S64 PolarHBondContact O-N 3.44Å; S64-G66 VanDerWaalsContact C-N 3.34Å; S64-C67 PolarHBondContact O-N 3.05Å; S64-K68 PolarHBondContact O-N 3.01Å
65K92.2Very high89.5Confident86 Ų8660.8 Ų60.837%0.37431%0.307SS..Hα-helixtrans-59.3-47.4172.1-179-165.2169.2-157.90110.3D52 K61 E62 C67 K68 D69D52-K65 IonicContact OD1-NZ 2.83Å; D52-K65 PolarHBondContact OD1-NZ 3.47Å; D52-K65 IonicContact OD2-NZ 2.63Å; D52-K65 PolarHBondContact OD2-NZ 3.34Å; K61-K65 WeakPolarHBondContact O-CB 3.39Å; K61-K65 PolarHBondContact O-N 3.3Å; E62-K65 WeakPolarHBondContact O-CB 3.35Å; E62-K65 PolarHBondContact O-N 3.08Å; K65-C67 PolarHBondContact O-N 2.91Å; K65-K68 WeakPolarHBondContact O-CA 3.49Å; K65-K68 WeakPolarHBondContact O-CB 3.49Å; K65-K68 PolarHBondContact O-N 3.24Å; K65-K68 VanDerWaalsContact O-N 3.09Å; K65-D69 PolarHBondContact O-N 3.21Å
66G89.9Confident89.4Confident2 Ų264.8 Ų64.82%0.02132%0.322CS..Hα-helixtrans-54.7-52.217600000112.4E62 F63 S64 K68 D69 F70E62-G66 PolarHBondContact O-N 2.87Å; F63-G66 PolarHBondContact O-N 3.48Å; S64-G66 VanDerWaalsContact C-N 3.34Å; G66-K68 PolarHBondContact O-N 3.35Å; G66-K68 VanDerWaalsContact O-N 3.16Å; G66-D69 PolarHBondContact O-N 3.34Å; G66-F70 WeakPolarHBondContact O-CB 3.33Å; G66-F70 WeakPolarHBondContact O-CD2 3.45Å; G66-F70 PolarHBondContact O-N 3.2Å
67C88.8Confident89.5Confident4 Ų463.6 Ų63.63%0.02732%0.319CS..Hα-helixtrans-54.7-39.3177.2-69.60000112.3F63 S64 K65 F70 G71 V72 V79F63-C67 PolarHBondContact O-N 3.4Å; F63-C67 PolarHBondContact O-SG 2.98Å; F63-C67 VanDerWaalsContact O-SG 3.33Å; S64-C67 PolarHBondContact O-N 3.05Å; K65-C67 PolarHBondContact O-N 2.91Å; C67-F70 PolarHBondContact O-N 3.06Å; C67-G71 PolarHBondContact O-N 3.08Å; C67-V72 WeakPolarHBondContact O-CG2 3.15Å; C67-V72 PolarHBondContact O-N 3.23Å; C67-V72 VanDerWaalsContact O-N 3.14Å; C67-V79 HydrophobicContact CB-CG2 4.16Å
68K87.5Confident89.4Confident170 Ų17062.2 Ų62.274%0.73931%0.314SS*.Hα-helixtrans-69.5-46.1178.7-141177.9-172.7-179.50112.6S64 K65 G66 F70 G71S64-K68 PolarHBondContact O-N 3.01Å; K65-K68 WeakPolarHBondContact O-CA 3.49Å; K65-K68 WeakPolarHBondContact O-CB 3.49Å; K65-K68 PolarHBondContact O-N 3.24Å; K65-K68 VanDerWaalsContact O-N 3.09Å; G66-K68 PolarHBondContact O-N 3.35Å; G66-K68 VanDerWaalsContact O-N 3.16Å; K68-F70 PolarHBondContact O-N 3.2Å; K68-G71 PolarHBondContact O-N 3.38Å
69D85.1Confident89.4Confident94 Ų9462.5 Ų62.550%0.50332%0.315SS..Hα-helixtrans-64.4-26.7177.9-70.6-14.1000111.7R35 K65 G66 G71R35-D69 PolarHBondContact NH1-O 3.16Å; R35-D69 PolarHBondContact NH2-O 3.09Å; K65-D69 PolarHBondContact O-N 3.21Å; G66-D69 PolarHBondContact O-N 3.34Å; D69-G71 PolarHBondContact O-N 2.8Å
70F79Confident89.3Confident7 Ų764.1 Ų64.13%0.03132%0.32CS..THydrogen-bonded Turntrans-76.5-7.9173.7-82.4-110.6000114R35 Q46 I50 G66 C67 K68 V72R35-F70 HydrophobicContact CB-CD1 4.49Å; R35-F70 HydrophobicContact CB-CE1 4.41Å; R35-F70 HydrophobicContact CG-CD1 3.98Å; R35-F70 HydrophobicContact CG-CE1 4.33Å; R35-F70 VanDerWaalsContact CZ-O 3.3Å; R35-F70 PolarHBondContact NH2-O 2.97Å; Q46-F70 HydrophobicContact CB-CE1 3.98Å; Q46-F70 HydrophobicContact CB-CZ 3.53Å; Q46-F70 HydrophobicContact CG-CE1 3.58Å; Q46-F70 HydrophobicContact CG-CZ 3.56Å; I50-F70 HydrophobicContact CD1-CD2 4.44Å; I50-F70 HydrophobicContact CD1-CE2 3.81Å; I50-F70 HydrophobicContact CD1-CZ 4.29Å; I50-F70 HydrophobicContact CG1-CE2 3.94Å; G66-F70 WeakPolarHBondContact O-CB 3.33Å; G66-F70 WeakPolarHBondContact O-CD2 3.45Å; G66-F70 PolarHBondContact O-N 3.2Å; C67-F70 PolarHBondContact O-N 3.06Å; K68-F70 PolarHBondContact O-N 3.2Å; F70-V72 HydrophobicContact CB-CG2 3.82Å; F70-V72 PolarHBondContact O-N 3.21Å
71G78.5Confident89.3Confident43 Ų4366.4 Ų66.444%0.44333%0.331SS..THydrogen-bonded Turntrans66.728.6-177.500000111.8Q31 C67 K68 D69 D73Q31-G71 PolarHBondContact NE2-O 3.44Å; C67-G71 PolarHBondContact O-N 3.08Å; K68-G71 PolarHBondContact O-N 3.38Å; D69-G71 PolarHBondContact O-N 2.8Å; G71-D73 PolarHBondContact O-N 2.94Å
72V76.6Confident89.1Confident11 Ų1158.2 Ų58.27%0.06730%0.296CS..  trans-81.1112.7170.2-154.70000106.6K27 L28 Q31 C67 F70 L74K27-V72 HydrophobicContact CB-CG1 4.12Å; L28-V72 HydrophobicContact CD1-CG2 3.85Å; Q31-V72 HydrophobicContact CB-CG2 3.71Å; Q31-V72 HydrophobicContact CG-CB 4.34Å; Q31-V72 HydrophobicContact CG-CG1 4.08Å; Q31-V72 HydrophobicContact CG-CG2 3.91Å; C67-V72 WeakPolarHBondContact O-CG2 3.15Å; C67-V72 PolarHBondContact O-N 3.23Å; C67-V72 VanDerWaalsContact O-N 3.14Å; F70-V72 HydrophobicContact CB-CG2 3.82Å; F70-V72 PolarHBondContact O-N 3.21Å; V72-L74 HydrophobicContact CB-CD1 4.05Å; V72-L74 HydrophobicContact CB-CG 4.17Å; V72-L74 HydrophobicContact CG1-CD1 3.56Å; V72-L74 HydrophobicContact CG1-CD2 4.3Å; V72-L74 HydrophobicContact CG1-CG 3.6Å; V72-L74 PolarHBondContact O-N 2.99Å
73D80.8Confident89.1Confident160 Ų16057.7 Ų57.786%0.85629%0.293SS*.  trans-78.580.8-179.8-135.93.1000108.3G71G71-D73 PolarHBondContact O-N 2.94Å
74L86.7Confident89Confident27 Ų2761.6 Ų61.614%0.14131%0.314CS..  trans-118.5139.6179.8-65.7170.7000109.7P24 K27 V72 E78 V79 I82P24-L74 HydrophobicContact CB-CD2 4.16Å; K27-L74 HydrophobicContact CB-CD2 4.28Å; K27-L74 HydrophobicContact CD-CD2 3.65Å; V72-L74 HydrophobicContact CB-CD1 4.05Å; V72-L74 HydrophobicContact CB-CG 4.17Å; V72-L74 HydrophobicContact CG1-CD1 3.56Å; V72-L74 HydrophobicContact CG1-CD2 4.3Å; V72-L74 HydrophobicContact CG1-CG 3.6Å; V72-L74 PolarHBondContact O-N 2.99Å; L74-E78 VanDerWaalsContact CA-OE2 3.3Å; L74-E78 WeakPolarHBondContact CA-OE2 3.45Å; L74-E78 HydrophobicContact CB-CB 4.09Å; L74-E78 HydrophobicContact CD2-CB 4.01Å; L74-V79 HydrophobicContact CB-CG2 3.75Å; L74-V79 HydrophobicContact CD1-CG2 4.19Å; L74-I82 HydrophobicContact CD1-CD1 3.42Å; L74-I82 VanDerWaalsContact CD1-CD1 3.42Å; L74-I82 HydrophobicContact CD2-CD1 4.5Å
75S91.6Very high88.8Confident47 Ų4764.5 Ų64.533%0.32932%0.324SS..  trans-67.3163.9168.7950000110.9E77 E78 V79S75-E77 VanDerWaalsContact CB-OE2 3.25Å; S75-E77 WeakPolarHBondContact CB-OE2 3.49Å; S75-E77 PolarHBondContact O-N 3.07Å; S75-E77 PolarHBondContact OG-N 3.15Å; S75-E77 PolarHBondContact OG-OE2 3.27Å; S75-E78 PolarHBondContact N-OE2 3.05Å; S75-E78 PolarHBondContact O-N 3.23Å; S75-E78 PolarHBondContact OG-N 2.86Å; S75-E78 VanDerWaalsContact OG-N 3.13Å; S75-V79 WeakPolarHBondContact O-CG2 3.44Å; S75-V79 PolarHBondContact O-N 3.41Å
76K91.8Very high88.7Confident145 Ų14560.4 Ų60.463%0.6331%0.306SS*.Hα-helixtrans-63.4-33177.5-166.3-180179.6-173.40111.5K80K76-K80 WeakPolarHBondContact O-CB 3.37Å; K76-K80 PolarHBondContact O-N 3.31Å
77E93.7Very high88.8Confident136 Ų13660.9 Ų60.964%0.63631%0.308SS*.Hα-helixtrans-67.6-46.2174.7-5671.6-152.200110.9S75 V79 K80 E81S75-E77 VanDerWaalsContact CB-OE2 3.25Å; S75-E77 WeakPolarHBondContact CB-OE2 3.49Å; S75-E77 PolarHBondContact O-N 3.07Å; S75-E77 PolarHBondContact OG-N 3.15Å; S75-E77 PolarHBondContact OG-OE2 3.27Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3.09Å; E77-K80 PolarHBondContact O-N 2.61Å; E77-K80 VanDerWaalsContact O-N 3.13Å; E77-E81 PolarHBondContact O-N 3.23Å
78E93.5Very high88.7Confident44 Ų4464.6 Ų64.621%0.20633%0.331CS..Hα-helixtrans-61-40.8175.1-73.2-179.6116.100111.6P24 K27 L74 S75 K80 E81 I82P24-E78 HydrophobicContact CB-CB 4.06Å; P24-E78 HydrophobicContact CB-CG 4.4Å; P24-E78 HydrophobicContact CG-CB 4Å; P24-E78 HydrophobicContact CG-CG 3.84Å; K27-E78 IonicContact NZ-OE1 2.81Å; K27-E78 PolarHBondContact NZ-OE1 3.43Å; L74-E78 VanDerWaalsContact CA-OE2 3.3Å; L74-E78 WeakPolarHBondContact CA-OE2 3.45Å; L74-E78 HydrophobicContact CB-CB 4.09Å; L74-E78 HydrophobicContact CD2-CB 4.01Å; S75-E78 PolarHBondContact N-OE2 3.05Å; S75-E78 PolarHBondContact O-N 3.23Å; S75-E78 PolarHBondContact OG-N 2.86Å; S75-E78 VanDerWaalsContact OG-N 3.13Å; E78-K80 VanDerWaalsContact C-N 3.31Å; E78-K80 PolarHBondContact O-N 2.78Å; E78-E81 PolarHBondContact O-N 3.47Å; E78-I82 VanDerWaalsContact O-CG1 3.27Å; E78-I82 WeakPolarHBondContact O-CG1 2.88Å; E78-I82 PolarHBondContact O-N 3.01Å
79V93.7Very high88.8Confident6 Ų661.2 Ų61.24%0.03632%0.321CS..Hα-helixtrans-63.9-38.5175.4173.90000111.2F60 F63 C67 L74 S75 E77 I82 F83F60-V79 HydrophobicContact CE2-CG1 4Å; F60-V79 HydrophobicContact CZ-CG1 4.39Å; F63-V79 HydrophobicContact CD1-CG1 3.86Å; F63-V79 HydrophobicContact CE1-CG1 3.97Å; C67-V79 HydrophobicContact CB-CG2 4.16Å; L74-V79 HydrophobicContact CB-CG2 3.75Å; L74-V79 HydrophobicContact CD1-CG2 4.19Å; S75-V79 WeakPolarHBondContact O-CG2 3.44Å; S75-V79 PolarHBondContact O-N 3.41Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3.09Å; V79-I82 PolarHBondContact O-N 3.16Å; V79-F83 WeakPolarHBondContact O-CB 3.49Å; V79-F83 PolarHBondContact O-N 3.25Å
80K94.5Very high89.1Confident86 Ų8664.9 Ų64.937%0.37434%0.335SS..Hα-helixtrans-68-41.8176.8-17655176.8158.60111.8F60 K76 E77 E78 I82 F83 D84F60-K80 HydrophobicContact CD2-CD 3.99Å; F60-K80 HydrophobicContact CE2-CB 3.91Å; F60-K80 HydrophobicContact CE2-CD 3.7Å; F60-K80 HydrophobicContact CE2-CG 4.39Å; F60-K80 HydrophobicContact CZ-CB 4.1Å; F60-K80 HydrophobicContact CZ-CD 4.22Å; K76-K80 WeakPolarHBondContact O-CB 3.37Å; K76-K80 PolarHBondContact O-N 3.31Å; E77-K80 PolarHBondContact O-N 2.61Å; E77-K80 VanDerWaalsContact O-N 3.13Å; E78-K80 VanDerWaalsContact C-N 3.31Å; E78-K80 PolarHBondContact O-N 2.78Å; K80-I82 VanDerWaalsContact C-N 3.32Å; K80-I82 PolarHBondContact O-N 3.23Å; K80-F83 PolarHBondContact O-N 2.77Å; K80-D84 WeakPolarHBondContact CE-OD1 3.23Å; K80-D84 VanDerWaalsContact CE-OD2 3.25Å; K80-D84 WeakPolarHBondContact CE-OD2 3.26Å; K80-D84 IonicContact NZ-OD1 3.94Å; K80-D84 PolarHBondContact NZ-OD1 3.46Å; K80-D84 IonicContact NZ-OD2 2.73Å; K80-D84 VanDerWaalsContact O-CG 3.25Å; K80-D84 PolarHBondContact O-N 3.45Å
81E94.3Very high89.8Confident105 Ų10567.3 Ų67.349%0.49135%0.353SS..Hα-helixtrans-56.3-47.1172.9-176.6-175.1166.800111.2E77 E78 D84 E85E77-E81 PolarHBondContact O-N 3.23Å; E78-E81 PolarHBondContact O-N 3.47Å; E81-D84 PolarHBondContact O-N 3.07Å; E81-E85 WeakPolarHBondContact O-CB 3.39Å; E81-E85 PolarHBondContact O-N 2.78Å
82I91.9Very high90.5Very high0 Ų067 Ų670%035%0.35CS..Hα-helixtrans-63.6-45.2176.7-61.8167.2000110.7P24 I25 L28 F63 L74 E78 V79 K80 D84 E85 I86P24-I82 VanDerWaalsContact C-CD1 3.43Å; P24-I82 HydrophobicContact CB-CD1 3.61Å; P24-I82 HydrophobicContact CB-CG1 3.5Å; P24-I82 VanDerWaalsContact CB-CG1 3.5Å; P24-I82 WeakPolarHBondContact O-CD1 3.45Å; I25-I82 HydrophobicContact CB-CG1 4.27Å; I25-I82 HydrophobicContact CB-CG2 4.44Å; I25-I82 HydrophobicContact CD1-CG2 4.17Å; I25-I82 HydrophobicContact CG1-CG2 4.22Å; L28-I82 HydrophobicContact CB-CD1 4.3Å; L28-I82 HydrophobicContact CD2-CD1 4.38Å; L28-I82 HydrophobicContact CD2-CG2 3.85Å; F63-I82 HydrophobicContact CE1-CB 4.27Å; F63-I82 HydrophobicContact CE1-CG2 4.05Å; F63-I82 HydrophobicContact CZ-CB 4.36Å; F63-I82 HydrophobicContact CZ-CG2 3.65Å; L74-I82 HydrophobicContact CD1-CD1 3.42Å; L74-I82 VanDerWaalsContact CD1-CD1 3.42Å; L74-I82 HydrophobicContact CD2-CD1 4.5Å; E78-I82 VanDerWaalsContact O-CG1 3.27Å; E78-I82 WeakPolarHBondContact O-CG1 2.88Å; E78-I82 PolarHBondContact O-N 3.01Å; V79-I82 PolarHBondContact O-N 3.16Å; K80-I82 VanDerWaalsContact C-N 3.32Å; K80-I82 PolarHBondContact O-N 3.23Å; I82-D84 VanDerWaalsContact C-N 3.29Å; I82-D84 PolarHBondContact O-N 3.09Å; I82-E85 PolarHBondContact O-N 3.3Å; I82-E85 VanDerWaalsContact O-N 3.14Å; I82-I86 HydrophobicContact CG2-CD1 3.56Å; I82-I86 HydrophobicContact CG2-CG1 4.09Å; I82-I86 VanDerWaalsContact O-CG1 3.24Å; I82-I86 WeakPolarHBondContact O-CG1 3.28Å; I82-I86 PolarHBondContact O-N 2.97Å
83F94.1Very high91.5Very high2 Ų269.8 Ų69.81%0.00936%0.361CS..Hα-helixtrans-57.1-47.2-179-172.9-81.3000110.9F60 F63 V79 K80 E85 I86 D87 G92 I94F60-F83 VanDerWaalsContact CA-CE2 3.5Å; F60-F83 HydrophobicContact CB-CD2 4.27Å; F60-F83 HydrophobicContact CB-CE2 4.08Å; F60-F83 HydrophobicContact CB-CZ 4.28Å; F60-F83 HydrophobicContact CD2-CB 3.95Å; F60-F83 HydrophobicContact CD2-CD1 4.39Å; F60-F83 AromaticContact CD2-CD2 3.87Å; F60-F83 HydrophobicContact CD2-CD2 3.87Å; F60-F83 AromaticContact CD2-CG 3.8Å; F60-F83 HydrophobicContact CD2-CG 3.8Å; F60-F83 HydrophobicContact CE2-CB 4.27Å; F63-F83 HydrophobicContact CB-CD2 3.84Å; F63-F83 HydrophobicContact CB-CE2 4.09Å; F63-F83 HydrophobicContact CD1-CB 4.12Å; F63-F83 AromaticContact CD1-CD2 3.73Å; F63-F83 HydrophobicContact CD1-CD2 3.73Å; F63-F83 HydrophobicContact CD1-CG 4.43Å; F63-F83 HydrophobicContact CE1-CB 4.23Å; F63-F83 HydrophobicContact CE1-CD2 4.5Å; F63-F83 AromaticContact CG-CD2 3.87Å; F63-F83 HydrophobicContact CG-CD2 3.87Å; V79-F83 WeakPolarHBondContact O-CB 3.49Å; V79-F83 PolarHBondContact O-N 3.25Å; K80-F83 PolarHBondContact O-N 2.77Å; F83-E85 VanDerWaalsContact C-N 3.29Å; F83-E85 PolarHBondContact O-N 2.99Å; F83-I86 PolarHBondContact O-N 3.22Å; F83-I86 VanDerWaalsContact O-N 3.16Å; F83-D87 HydrophobicContact CD1-CB 4.28Å; F83-D87 HydrophobicContact CE1-CB 4.03Å; F83-D87 WeakPolarHBondContact O-CB 3.37Å; F83-D87 PolarHBondContact O-N 3.24Å; F83-G92 WeakPolarHBondContact CZ-O 3.33Å; F83-I94 HydrophobicContact CD2-CD1 3.37Å; F83-I94 HydrophobicContact CD2-CG1 3.99Å; F83-I94 HydrophobicContact CE2-CD1 3.56Å; F83-I94 HydrophobicContact CE2-CG1 3.71Å; F83-I94 HydrophobicContact CG-CD1 3.99Å; F83-I94 HydrophobicContact CZ-CD1 4.31Å; F83-I94 HydrophobicContact CZ-CG1 4.01Å
84D92.5Very high92Very high84 Ų8462.1 Ų62.145%0.44932%0.32SS..Hα-helixtrans-69.9-25.6-179.6-62.7-18000112.4K80 E81 I82K80-D84 WeakPolarHBondContact CE-OD1 3.23Å; K80-D84 VanDerWaalsContact CE-OD2 3.25Å; K80-D84 WeakPolarHBondContact CE-OD2 3.26Å; K80-D84 IonicContact NZ-OD1 3.94Å; K80-D84 PolarHBondContact NZ-OD1 3.46Å; K80-D84 IonicContact NZ-OD2 2.73Å; K80-D84 VanDerWaalsContact O-CG 3.25Å; K80-D84 PolarHBondContact O-N 3.45Å; E81-D84 PolarHBondContact O-N 3.07Å; I82-D84 VanDerWaalsContact C-N 3.29Å; I82-D84 PolarHBondContact O-N 3.09Å
85E88.9Confident92.3Very high96 Ų9663.7 Ų63.745%0.44933%0.329SS..Hα-helixtrans-73.6-31.3171.7-170.9-178.9167.600112.3I25 E81 I82 F83I25-E85 HydrophobicContact CD1-CG 4.31Å; E81-E85 WeakPolarHBondContact O-CB 3.39Å; E81-E85 PolarHBondContact O-N 2.78Å; I82-E85 PolarHBondContact O-N 3.3Å; I82-E85 VanDerWaalsContact O-N 3.14Å; F83-E85 VanDerWaalsContact C-N 3.29Å; F83-E85 PolarHBondContact O-N 2.99Å
86I89.2Confident92.1Very high0 Ų064.6 Ų64.60%033%0.327CS..Hα-helixtrans-85.6-41.7-177.7-62.2179.5000111.9I25 F63 I82 F83 T88 I94 E98I25-I86 HydrophobicContact CD1-CD1 4.35Å; I25-I86 HydrophobicContact CD1-CG1 4Å; F63-I86 HydrophobicContact CE2-CD1 4.15Å; F63-I86 HydrophobicContact CZ-CD1 4.01Å; I82-I86 HydrophobicContact CG2-CD1 3.56Å; I82-I86 HydrophobicContact CG2-CG1 4.09Å; I82-I86 VanDerWaalsContact O-CG1 3.24Å; I82-I86 WeakPolarHBondContact O-CG1 3.28Å; I82-I86 PolarHBondContact O-N 2.97Å; F83-I86 PolarHBondContact O-N 3.22Å; F83-I86 VanDerWaalsContact O-N 3.16Å; I86-T88 PolarHBondContact O-N 2.95Å; I86-I94 HydrophobicContact CB-CD1 3.87Å; I86-I94 HydrophobicContact CB-CG1 4.16Å; I86-I94 HydrophobicContact CD1-CD1 4.33Å; I86-I94 HydrophobicContact CG2-CB 4.25Å; I86-I94 HydrophobicContact CG2-CD1 3.78Å; I86-I94 HydrophobicContact CG2-CG1 3.79Å; I86-I94 HydrophobicContact CG2-CG2 3.49Å; I86-I94 VanDerWaalsContact CG2-CG2 3.49Å; I86-E98 HydrophobicContact CG2-CB 4.04Å
87D92.6Very high91.7Very high12 Ų1262 Ų626%0.06432%0.32CS..  trans-72.474177.6179.69.5000109.8F83 D89 Q90 S91 G92 I94F83-D87 HydrophobicContact CD1-CB 4.28Å; F83-D87 HydrophobicContact CE1-CB 4.03Å; F83-D87 WeakPolarHBondContact O-CB 3.37Å; F83-D87 PolarHBondContact O-N 3.24Å; D87-D89 VanDerWaalsContact C-N 3.29Å; D87-D89 PolarHBondContact O-N 3.34Å; D87-Q90 PolarHBondContact O-N 3.38Å; D87-Q90 WeakPolarHBondContact OD1-CA 3.33Å; D87-Q90 PolarHBondContact OD1-N 2.92Å; D87-S91 PolarHBondContact OD1-N 3.48Å; D87-G92 WeakPolarHBondContact OD2-CA 3.25Å; D87-G92 PolarHBondContact OD2-N 3.41Å; D87-I94 HydrophobicContact CB-CG1 4.35Å
88T87Confident91.4Very high82 Ų8256.2 Ų56.250%0.50329%0.293SS..THydrogen-bonded Turntrans-72-27.2-172.751.70000112.4I86 E98I86-T88 PolarHBondContact O-N 2.95Å; T88-E98 PolarHBondContact N-OE1 3.13Å; T88-E98 PolarHBondContact OG1-OE1 3.04Å
89D89.8Confident91.1Very high99 Ų9954.3 Ų54.353%0.52928%0.284SS..THydrogen-bonded Turntrans-87.6-5.4176.681.8-11.9000113.6D87 S91 E98D87-D89 VanDerWaalsContact C-N 3.29Å; D87-D89 PolarHBondContact O-N 3.34Å; D89-S91 PolarHBondContact O-N 3.26Å; D89-S91 WeakPolarHBondContact OD1-CB 3.46Å; D89-S91 PolarHBondContact OD1-N 3.41Å; D89-S91 PolarHBondContact OD1-OG 2.99Å; D89-E98 PolarHBondContact N-OE1 2.92Å
90Q90.8Very high90.4Very high170 Ų17054.5 Ų54.579%0.79429%0.285SS*.  trans5731.9-178.2-58.4174.835.600112.7D87 G92D87-Q90 PolarHBondContact O-N 3.38Å; D87-Q90 WeakPolarHBondContact OD1-CA 3.33Å; D87-Q90 PolarHBondContact OD1-N 2.92Å; Q90-G92 PolarHBondContact O-N 3.37Å
91S93.6Very high89.6Confident58 Ų5854.7 Ų54.741%0.40629%0.289SS..SBendtrans-68.9-15.8176.366.40000112.6D87 D89 F93D87-S91 PolarHBondContact OD1-N 3.48Å; D89-S91 PolarHBondContact O-N 3.26Å; D89-S91 WeakPolarHBondContact OD1-CB 3.46Å; D89-S91 PolarHBondContact OD1-N 3.41Å; D89-S91 PolarHBondContact OD1-OG 2.99Å; S91-F93 VanDerWaalsContact C-N 3.26Å; S91-F93 WeakPolarHBondContact O-CD2 3.47Å; S91-F93 PolarHBondContact OG-N 3.4Å; S91-F93 PolarHBondContact OG-O 3.04Å
92G94Very high88.9Confident37 Ų3750.2 Ų50.238%0.38127%0.269SS..SBendtrans81.28.5-170.900000112.9F83 D87 Q90F83-G92 WeakPolarHBondContact CZ-O 3.33Å; D87-G92 WeakPolarHBondContact OD2-CA 3.25Å; D87-G92 PolarHBondContact OD2-N 3.41Å; Q90-G92 PolarHBondContact O-N 3.37Å
93F95.5Very high88.1Confident69 Ų6950.6 Ų50.630%0.30327%0.271SS..SBendtrans-134.8148177.3-60.3-87.9000109.2K57 L58 D59 S91K57-F93 HydrophobicContact CB-CB 4.13Å; K57-F93 HydrophobicContact CD-CB 3.9Å; K57-F93 HydrophobicContact CD-CD1 3.74Å; K57-F93 HydrophobicContact CD-CD2 4.29Å; K57-F93 HydrophobicContact CD-CE1 4.34Å; K57-F93 HydrophobicContact CD-CG 3.72Å; K57-F93 HydrophobicContact CG-CB 4.34Å; K57-F93 HydrophobicContact CG-CD1 4.11Å; K57-F93 HydrophobicContact CG-CG 4.39Å; L58-F93 WeakPolarHBondContact O-CA 3.38Å; D59-F93 HydrophobicContact CB-CD1 4.06Å; D59-F93 HydrophobicContact CB-CE1 4.02Å; S91-F93 VanDerWaalsContact C-N 3.26Å; S91-F93 WeakPolarHBondContact O-CD2 3.47Å; S91-F93 PolarHBondContact OG-N 3.4Å; S91-F93 PolarHBondContact OG-O 3.04Å
94I93.4Very high86.9Confident0 Ų053.5 Ų53.50%028%0.282CS..EExtended strand (participates in β ladder)trans-98.9115.5170.7-66.6169000108.3K57 L58 F63 F83 I86 D87 E98 F99K57-I94 CarbonylContact C-O 2.96Å; K57-I94 WeakPolarHBondContact CA-O 3.24Å; L58-I94 HydrophobicContact CB-CB 4.33Å; L58-I94 PolarHBondContact N-O 3.16Å; L58-I94 PolarHBondContact O-N 2.77Å; F63-I94 HydrophobicContact CD1-CD1 4.49Å; F63-I94 HydrophobicContact CD2-CD1 3.83Å; F63-I94 HydrophobicContact CE2-CD1 4.05Å; F63-I94 HydrophobicContact CG-CD1 4.06Å; F63-I94 HydrophobicContact CZ-CD1 4.48Å; F83-I94 HydrophobicContact CD2-CD1 3.37Å; F83-I94 HydrophobicContact CD2-CG1 3.99Å; F83-I94 HydrophobicContact CE2-CD1 3.56Å; F83-I94 HydrophobicContact CE2-CG1 3.71Å; F83-I94 HydrophobicContact CG-CD1 3.99Å; F83-I94 HydrophobicContact CZ-CD1 4.31Å; F83-I94 HydrophobicContact CZ-CG1 4.01Å; I86-I94 HydrophobicContact CB-CD1 3.87Å; I86-I94 HydrophobicContact CB-CG1 4.16Å; I86-I94 HydrophobicContact CD1-CD1 4.33Å; I86-I94 HydrophobicContact CG2-CB 4.25Å; I86-I94 HydrophobicContact CG2-CD1 3.78Å; I86-I94 HydrophobicContact CG2-CG1 3.79Å; I86-I94 HydrophobicContact CG2-CG2 3.49Å; I86-I94 VanDerWaalsContact CG2-CG2 3.49Å; D87-I94 HydrophobicContact CB-CG1 4.35Å; I94-E98 WeakPolarHBondContact CA-OE2 3.36Å; I94-E98 HydrophobicContact CG2-CB 4.18Å; I94-F99 HydrophobicContact CG2-CB 3.75Å; I94-F99 HydrophobicContact CG2-CD2 4.15Å; I94-F99 HydrophobicContact CG2-CG 4.47Å
95D92.7Very high85.2Confident60 Ų6051.5 Ų51.532%0.32127%0.273SS..EExtended strand (participates in β ladder)trans-79.2174.91737936000112.7D97 E98 F99D95-D97 VanDerWaalsContact C-N 3.34Å; D95-D97 PolarHBondContact O-N 2.85Å; D95-D97 WeakPolarHBondContact OD1-CA 3.29Å; D95-D97 WeakPolarHBondContact OD1-CB 3.3Å; D95-D97 PolarHBondContact OD1-N 2.94Å; D95-E98 PolarHBondContact N-OE2 3.38Å; D95-E98 PolarHBondContact OD1-N 3.46Å; D95-F99 VanDerWaalsContact O-CB 3.3Å; D95-F99 WeakPolarHBondContact O-CB 3.33Å; D95-F99 PolarHBondContact O-N 3.46Å
96F86.5Confident83.6Confident66 Ų6652.6 Ų52.629%0.28927%0.273SS..Hα-helixtrans-63.5-38.2-178.5-175.6-102.3000113.4F47 L100F47-F96 HydrophobicContact CB-CD2 4.13Å; F47-F96 HydrophobicContact CB-CE2 4.16Å; F47-F96 AromaticContact CD1-CD2 3.86Å; F47-F96 HydrophobicContact CD1-CD2 3.86Å; F47-F96 HydrophobicContact CD2-CD2 4.17Å; F47-F96 HydrophobicContact CE1-CB 4.48Å; F47-F96 HydrophobicContact CE1-CD2 4.27Å; F47-F96 AromaticContact CG-CD2 3.78Å; F47-F96 HydrophobicContact CG-CD2 3.78Å; F47-F96 HydrophobicContact CG-CE2 4.31Å; F47-F96 HydrophobicContact CZ-CB 4.29Å; F96-L100 HydrophobicContact CE1-CD1 4.22Å; F96-L100 HydrophobicContact CZ-CD1 4.08Å; F96-L100 WeakPolarHBondContact O-CB 3.44Å; F96-L100 PolarHBondContact O-N 3.43Å
97D83.2Confident81.7Confident91 Ų9153.2 Ų53.249%0.48728%0.276SS..Hα-helixtrans-72.5-43.2-177.5-73.9-23000109.9D95 L100 I101D95-D97 VanDerWaalsContact C-N 3.34Å; D95-D97 PolarHBondContact O-N 2.85Å; D95-D97 WeakPolarHBondContact OD1-CA 3.29Å; D95-D97 WeakPolarHBondContact OD1-CB 3.3Å; D95-D97 PolarHBondContact OD1-N 2.94Å; D97-L100 PolarHBondContact O-N 3.37Å; D97-I101 VanDerWaalsContact O-CB 3.31Å; D97-I101 WeakPolarHBondContact O-CB 3.22Å; D97-I101 WeakPolarHBondContact O-CD1 3.42Å; D97-I101 WeakPolarHBondContact O-CG1 3.44Å; D97-I101 PolarHBondContact O-N 2.85Å
98E87.8Confident79.8Confident13 Ų1356.2 Ų56.26%0.06129%0.292CS..Hα-helixtrans-58.4-48.3172.2-70-175.3130.900111.8I86 T88 D89 I94 D95 L100 S102I86-E98 HydrophobicContact CG2-CB 4.04Å; T88-E98 PolarHBondContact N-OE1 3.13Å; T88-E98 PolarHBondContact OG1-OE1 3.04Å; D89-E98 PolarHBondContact N-OE1 2.92Å; I94-E98 WeakPolarHBondContact CA-OE2 3.36Å; I94-E98 HydrophobicContact CG2-CB 4.18Å; D95-E98 PolarHBondContact N-OE2 3.38Å; D95-E98 PolarHBondContact OD1-N 3.46Å; E98-L100 VanDerWaalsContact C-N 3.34Å; E98-L100 PolarHBondContact O-N 3Å; E98-S102 WeakPolarHBondContact O-CB 3.37Å; E98-S102 PolarHBondContact O-N 2.89Å; E98-S102 PolarHBondContact O-OG 2.82Å
99F86.7Confident77.9Confident4 Ų454.8 Ų54.82%0.01828%0.278CS..Hα-helixtrans-60.6-44.4176.7-169.8-105.2000111.7I43 F47 I50 L58 F63 I94 D95 L103I43-F99 HydrophobicContact CG2-CD1 3.81Å; I43-F99 HydrophobicContact CG2-CE1 3.85Å; F47-F99 HydrophobicContact CB-CD1 3.95Å; F47-F99 HydrophobicContact CB-CE1 3.83Å; F47-F99 HydrophobicContact CD2-CB 3.73Å; F47-F99 AromaticContact CD2-CD1 3.51Å; F47-F99 HydrophobicContact CD2-CD1 3.51Å; F47-F99 HydrophobicContact CD2-CD2 4.12Å; F47-F99 AromaticContact CD2-CE1 3.99Å; F47-F99 HydrophobicContact CD2-CE1 3.99Å; F47-F99 AromaticContact CD2-CG 3.55Å; F47-F99 HydrophobicContact CD2-CG 3.55Å; F47-F99 HydrophobicContact CD2-CZ 4.49Å; F47-F99 HydrophobicContact CE2-CB 3.88Å; F47-F99 HydrophobicContact CE2-CD1 4.47Å; F47-F99 HydrophobicContact CE2-CG 4.12Å; F47-F99 HydrophobicContact CG-CD1 4.21Å; F47-F99 HydrophobicContact CG-CE1 4.44Å; I50-F99 HydrophobicContact CD1-CZ 4.14Å; L58-F99 HydrophobicContact CD1-CD2 4.02Å; L58-F99 HydrophobicContact CD1-CE2 3.94Å; F63-F99 HydrophobicContact CD2-CE2 4.41Å; F63-F99 HydrophobicContact CE2-CE2 4.14Å; I94-F99 HydrophobicContact CG2-CB 3.75Å; I94-F99 HydrophobicContact CG2-CD2 4.15Å; I94-F99 HydrophobicContact CG2-CG 4.47Å; D95-F99 VanDerWaalsContact O-CB 3.3Å; D95-F99 WeakPolarHBondContact O-CB 3.33Å; D95-F99 PolarHBondContact O-N 3.46Å; F99-L103 HydrophobicContact CD1-CD1 3.8Å; F99-L103 HydrophobicContact CD2-CD1 3.96Å; F99-L103 HydrophobicContact CD2-CG 4.5Å; F99-L103 HydrophobicContact CE1-CD1 3.36Å; F99-L103 HydrophobicContact CE2-CD1 3.52Å; F99-L103 HydrophobicContact CE2-CG 4.42Å; F99-L103 HydrophobicContact CG-CD1 4.11Å; F99-L103 HydrophobicContact CZ-CD1 3.21Å; F99-L103 HydrophobicContact CZ-CG 4.46Å; F99-L103 VanDerWaalsContact O-CB 3.31Å; F99-L103 WeakPolarHBondContact O-CB 3.07Å; F99-L103 WeakPolarHBondContact O-CG 3.4Å; F99-L103 PolarHBondContact O-N 3.12Å
100L80.3Confident75.7Confident11 Ų1151.2 Ų51.26%0.05826%0.258CS..Hα-helixtrans-67-47.7-178.3-172.798.1000111.7I40 I43 F96 D97 E98 S102 R104I40-L100 HydrophobicContact CB-CD1 4.37Å; I40-L100 HydrophobicContact CD1-CD1 3.68Å; I40-L100 HydrophobicContact CD1-CD2 3.57Å; I40-L100 HydrophobicContact CD1-CG 4.25Å; I40-L100 HydrophobicContact CG1-CD1 3.58Å; I40-L100 HydrophobicContact CG1-CD2 4.43Å; I43-L100 HydrophobicContact CB-CD1 4.28Å; I43-L100 HydrophobicContact CG2-CD1 4.06Å; F96-L100 HydrophobicContact CE1-CD1 4.22Å; F96-L100 HydrophobicContact CZ-CD1 4.08Å; F96-L100 WeakPolarHBondContact O-CB 3.44Å; F96-L100 PolarHBondContact O-N 3.43Å; D97-L100 PolarHBondContact O-N 3.37Å; E98-L100 VanDerWaalsContact C-N 3.34Å; E98-L100 PolarHBondContact O-N 3Å; L100-S102 VanDerWaalsContact C-N 3.31Å; L100-R104 VanDerWaalsContact O-CB 3.22Å; L100-R104 WeakPolarHBondContact O-CB 3.44Å; L100-R104 WeakPolarHBondContact O-CG 3.22Å; L100-R104 PolarHBondContact O-N 3.03Å
101I76.2Confident73.5Confident89 Ų8948.3 Ų48.346%0.45625%0.247SC..Hα-helixtrans-63.1-42.9180-70.4166000109.7D97D97-I101 VanDerWaalsContact O-CB 3.31Å; D97-I101 WeakPolarHBondContact O-CB 3.22Å; D97-I101 WeakPolarHBondContact O-CD1 3.42Å; D97-I101 WeakPolarHBondContact O-CG1 3.44Å; D97-I101 PolarHBondContact O-N 2.85Å
102S79.2Confident71.3Confident11 Ų1154 Ų548%0.07726%0.264CS..Hα-helixtrans-73.9-36.6-176.7-64.60000113.3R29 E98 L100R29-S102 PolarHBondContact NE-O 3.1Å; R29-S102 PolarHBondContact NH2-O 3.41Å; E98-S102 WeakPolarHBondContact O-CB 3.37Å; E98-S102 PolarHBondContact O-N 2.89Å; E98-S102 PolarHBondContact O-OG 2.82Å; L100-S102 VanDerWaalsContact C-N 3.31Å
103L76.6Confident68.8Low9 Ų957.6 Ų57.65%0.04727%0.27CS..Hα-helixtrans-85.1-17.5176.2-65.3-174.5000113.6L28 R29 I43 F99 V105L28-L103 HydrophobicContact CD2-CD2 3.67Å; L28-L103 HydrophobicContact CG-CD2 3.71Å; R29-L103 HydrophobicContact CG-CD2 4.33Å; I43-L103 HydrophobicContact CD1-CB 4.49Å; I43-L103 HydrophobicContact CG2-CD1 4.5Å; F99-L103 HydrophobicContact CD1-CD1 3.8Å; F99-L103 HydrophobicContact CD2-CD1 3.96Å; F99-L103 HydrophobicContact CD2-CG 4.5Å; F99-L103 HydrophobicContact CE1-CD1 3.36Å; F99-L103 HydrophobicContact CE2-CD1 3.52Å; F99-L103 HydrophobicContact CE2-CG 4.42Å; F99-L103 HydrophobicContact CG-CD1 4.11Å; F99-L103 HydrophobicContact CZ-CD1 3.21Å; F99-L103 HydrophobicContact CZ-CG 4.46Å; F99-L103 VanDerWaalsContact O-CB 3.31Å; F99-L103 WeakPolarHBondContact O-CB 3.07Å; F99-L103 WeakPolarHBondContact O-CG 3.4Å; F99-L103 PolarHBondContact O-N 3.12Å; L103-V105 PolarHBondContact O-N 3.44Å
104R68.7Low66.6Low63 Ų6358 Ų5824%0.23827%0.271CS..SBendtrans-62.2131.7163.4-95.9-175.6169.6156.64.9108.8I43 L100 R106 G196I43-R104 HydrophobicContact CD1-CG 4.33Å; L100-R104 VanDerWaalsContact O-CB 3.22Å; L100-R104 WeakPolarHBondContact O-CB 3.44Å; L100-R104 WeakPolarHBondContact O-CG 3.22Å; L100-R104 PolarHBondContact O-N 3.03Å; R104-R106 PolarHBondContact O-N 3.28Å; R104-G196 VanDerWaalsContact NH1-CA 3.35Å; R104-G196 PolarHBondContact NH2-O 3.15Å
105V57Low64.7Low42 Ų4260.8 Ų60.826%0.25529%0.29SS..  trans-74.3114.7174.5-1660000107L103 Y109 L110L103-V105 PolarHBondContact O-N 3.44Å; V105-Y109 HydrophobicContact CG1-CD1 4.4Å; V105-L110 HydrophobicContact CB-CD1 3.56Å; V105-L110 HydrophobicContact CB-CG 4.25Å; V105-L110 HydrophobicContact CG1-CD1 3.33Å; V105-L110 HydrophobicContact CG1-CD2 4.1Å; V105-L110 HydrophobicContact CG1-CG 3.52Å; V105-L110 VanDerWaalsContact O-CD1 3.24Å; V105-L110 WeakPolarHBondContact O-CD1 3.47Å
106R55Low63.2Low119 Ų11960 Ų6045%0.44929%0.288SS..  trans-68148.7178.6-72.1-169.8-174.1140.73.5112.1R104 D108 Y109 L110R104-R106 PolarHBondContact O-N 3.28Å; R106-D108 WeakPolarHBondContact CB-OD1 3.27Å; R106-D108 PolarHBondContact O-N 2.89Å; R106-Y109 PolarHBondContact O-N 2.89Å; R106-L110 VanDerWaalsContact O-CD1 3.29Å; R106-L110 WeakPolarHBondContact O-CD1 3.33Å; R106-L110 PolarHBondContact O-N 2.8Å
107F48.5Very low62.6Low12 Ų1257.3 Ų57.35%0.05328%0.276CS..Hα-helixtrans-62.1-39.1-172.4-162.1-95.9000113.2Y109 L110 I111 P116 M117 L122 F191 N192F107-Y109 VanDerWaalsContact C-N 3.32Å; F107-Y109 PolarHBondContact O-N 3.29Å; F107-L110 PolarHBondContact O-N 2.79Å; F107-L110 VanDerWaalsContact O-N 3.16Å; F107-I111 HydrophobicContact CD1-CD1 3.83Å; F107-I111 HydrophobicContact CD1-CG1 4.04Å; F107-I111 HydrophobicContact CE1-CD1 3.63Å; F107-I111 HydrophobicContact CE1-CG1 3.83Å; F107-I111 WeakPolarHBondContact O-CG1 3.37Å; F107-I111 PolarHBondContact O-N 2.75Å; F107-I111 VanDerWaalsContact O-N 3.09Å; F107-P116 HydrophobicContact CD2-CG 3.38Å; F107-P116 HydrophobicContact CE2-CG 3.6Å; F107-P116 HydrophobicContact CG-CG 4.47Å; F107-M117 HydrophobicContact CD2-CE 4.13Å; F107-M117 HydrophobicContact CE2-CE 3.66Å; F107-L122 HydrophobicContact CE2-CD2 3.64Å; F107-L122 HydrophobicContact CZ-CD2 3.54Å; F107-F191 HydrophobicContact CD1-CB 3.78Å; F107-F191 HydrophobicContact CD1-CD1 4.4Å; F107-F191 HydrophobicContact CD1-CG 4.32Å; F107-F191 HydrophobicContact CD2-CB 3.85Å; F107-F191 HydrophobicContact CD2-CD1 4.3Å; F107-F191 HydrophobicContact CE1-CB 3.86Å; F107-F191 AromaticContact CE1-CD1 3.63Å; F107-F191 HydrophobicContact CE1-CD1 3.63Å; F107-F191 HydrophobicContact CE1-CE1 4.4Å; F107-F191 AromaticContact CE1-CG 3.9Å; F107-F191 HydrophobicContact CE1-CG 3.9Å; F107-F191 HydrophobicContact CE2-CB 3.98Å; F107-F191 AromaticContact CE2-CD1 3.55Å; F107-F191 HydrophobicContact CE2-CD1 3.55Å; F107-F191 HydrophobicContact CE2-CG 4.22Å; F107-F191 HydrophobicContact CG-CB 3.78Å; F107-F191 HydrophobicContact CZ-CB 4Å; F107-F191 AromaticContact CZ-CD1 3.17Å; F107-F191 HydrophobicContact CZ-CD1 3.17Å; F107-F191 AromaticContact CZ-CE1 3.89Å; F107-F191 HydrophobicContact CZ-CE1 3.89Å; F107-F191 AromaticContact CZ-CG 3.89Å; F107-F191 HydrophobicContact CZ-CG 3.89Å; F107-N192 WeakPolarHBondContact CB-OD1 3.31Å; F107-N192 PolarHBondContact N-OD1 2.8Å
108D52.4Low62.6Low75 Ų7555 Ų5540%0.40127%0.267SS..Hα-helixtrans-56-42.3174.764.7-36.1000112.6R106R106-D108 WeakPolarHBondContact CB-OD1 3.27Å; R106-D108 PolarHBondContact O-N 2.89Å
109Y48.1Very low62.5Low53 Ų5362 Ų6221%0.20830%0.297CS..Hα-helixtrans-71.1-33.6178.2-161.5-94.2000112.4E26 V105 R106 F107 F113E26-Y109 HydrophobicContact CG-CE2 4.43Å; E26-Y109 WeakPolarHBondContact OE1-CE2 3.43Å; E26-Y109 PolarHBondContact OE1-OH 3.16Å; E26-Y109 PolarHBondContact OE2-OH 2.96Å; V105-Y109 HydrophobicContact CG1-CD1 4.4Å; R106-Y109 PolarHBondContact O-N 2.89Å; F107-Y109 VanDerWaalsContact C-N 3.32Å; F107-Y109 PolarHBondContact O-N 3.29Å; Y109-F113 HydrophobicContact CE1-CD2 4.48Å
110L44.6Very low62.7Low24 Ų2464.7 Ų64.713%0.12632%0.316CS..Hα-helixtrans-75.8-31.4-179.9-82.8133.6000113.7V105 R106 F107 K112 F113 K114 P116V105-L110 HydrophobicContact CB-CD1 3.56Å; V105-L110 HydrophobicContact CB-CG 4.25Å; V105-L110 HydrophobicContact CG1-CD1 3.33Å; V105-L110 HydrophobicContact CG1-CD2 4.1Å; V105-L110 HydrophobicContact CG1-CG 3.52Å; V105-L110 VanDerWaalsContact O-CD1 3.24Å; V105-L110 WeakPolarHBondContact O-CD1 3.47Å; R106-L110 VanDerWaalsContact O-CD1 3.29Å; R106-L110 WeakPolarHBondContact O-CD1 3.33Å; R106-L110 PolarHBondContact O-N 2.8Å; F107-L110 PolarHBondContact O-N 2.79Å; F107-L110 VanDerWaalsContact O-N 3.16Å; L110-K112 VanDerWaalsContact C-N 3.26Å; L110-K112 PolarHBondContact O-N 3.23Å; L110-F113 PolarHBondContact O-N 2.86Å; L110-F113 VanDerWaalsContact O-N 3.15Å; L110-K114 CarbonylContact C-O 3.5Å; L110-K114 WeakPolarHBondContact CA-O 3.3Å; L110-K114 WeakPolarHBondContact CB-O 3.42Å; L110-K114 WeakPolarHBondContact CD2-O 3.06Å; L110-K114 WeakPolarHBondContact CG-O 3.43Å; L110-K114 CarbonylContact O-C 3.52Å; L110-K114 WeakPolarHBondContact O-CA 3.15Å; L110-K114 PolarHBondContact O-N 3.37Å; L110-P116 HydrophobicContact CB-CG 4.29Å; L110-P116 HydrophobicContact CD1-CB 3.5Å; L110-P116 VanDerWaalsContact CD1-CB 3.5Å; L110-P116 HydrophobicContact CD1-CG 3.71Å; L110-P116 HydrophobicContact CD2-CB 3.89Å; L110-P116 HydrophobicContact CD2-CG 4.46Å; L110-P116 HydrophobicContact CG-CB 4.21Å; L110-P116 HydrophobicContact CG-CG 4.37Å
111I43.9Very low63.2Low108 Ų10864.8 Ų64.855%0.55432%0.316SS*.Hα-helixtrans-60-38-179.9-65174.6000111.5F107 F113F107-I111 HydrophobicContact CD1-CD1 3.83Å; F107-I111 HydrophobicContact CD1-CG1 4.04Å; F107-I111 HydrophobicContact CE1-CD1 3.63Å; F107-I111 HydrophobicContact CE1-CG1 3.83Å; F107-I111 WeakPolarHBondContact O-CG1 3.37Å; F107-I111 PolarHBondContact O-N 2.75Å; F107-I111 VanDerWaalsContact O-N 3.09Å; I111-F113 VanDerWaalsContact C-N 3.32Å; I111-F113 PolarHBondContact O-N 2.98Å
112K46.7Very low63.9Low178 Ų17861.8 Ų61.877%0.77430%0.3SS*.Hα-helixtrans-69.2-25.4179.6-100.1-178.9177.4174.30114.1L110L110-K112 VanDerWaalsContact C-N 3.26Å; L110-K112 PolarHBondContact O-N 3.23Å
113F41.9Very low64.6Low113 Ų11364.6 Ų64.650%0.49631%0.314SS..Hα-helixtrans-127.5-31.2-167.7-69-72.1000115.6Y109 L110 I111Y109-F113 HydrophobicContact CE1-CD2 4.48Å; L110-F113 PolarHBondContact O-N 2.86Å; L110-F113 VanDerWaalsContact O-N 3.15Å; I111-F113 VanDerWaalsContact C-N 3.32Å; I111-F113 PolarHBondContact O-N 2.98Å
114K48.9Very low65.5Low77 Ų7764.2 Ų64.234%0.33531%0.312SS..  trans176.7123.2175.7-178.8-174.1175.8-157.60108.4K13 L110K13-K114 HydrophobicContact CD-CD 4.06Å; L110-K114 CarbonylContact C-O 3.5Å; L110-K114 WeakPolarHBondContact CA-O 3.3Å; L110-K114 WeakPolarHBondContact CB-O 3.42Å; L110-K114 WeakPolarHBondContact CD2-O 3.06Å; L110-K114 WeakPolarHBondContact CG-O 3.43Å; L110-K114 CarbonylContact O-C 3.52Å; L110-K114 WeakPolarHBondContact O-CA 3.15Å; L110-K114 PolarHBondContact O-N 3.37Å
115P53.2Low66.8Low59 Ų5961.2 Ų61.238%0.38330%0.301SS..  trans-65.2149.2-179.824.5-32.6000113.1M117 L122P115-M117 PolarHBondContact O-N 2.71Å; P115-L122 HydrophobicContact CB-CD1 3.5Å; P115-L122 HydrophobicContact CG-CD1 3.87Å
116P62.4Low68.6Low43 Ų4361.1 Ų61.128%0.27930%0.299SS..SBendtrans-74.8-12.7-174.924.9-25.7000113.1F107 L110 T195F107-P116 HydrophobicContact CD2-CG 3.38Å; F107-P116 HydrophobicContact CE2-CG 3.6Å; F107-P116 HydrophobicContact CG-CG 4.47Å; L110-P116 HydrophobicContact CB-CG 4.29Å; L110-P116 HydrophobicContact CD1-CB 3.5Å; L110-P116 VanDerWaalsContact CD1-CB 3.5Å; L110-P116 HydrophobicContact CD1-CG 3.71Å; L110-P116 HydrophobicContact CD2-CB 3.89Å; L110-P116 HydrophobicContact CD2-CG 4.46Å; L110-P116 HydrophobicContact CG-CB 4.21Å; L110-P116 HydrophobicContact CG-CG 4.37Å; P116-T195 HydrophobicContact CB-CG2 3.91Å; P116-T195 HydrophobicContact CG-CG2 4.14Å
117M74Confident70.6Confident10 Ų1060.2 Ų60.25%0.04930%0.298CS..SBendtrans-128.9150.4-173.3-65.4-172.8-87.300108.1F107 P115 R121 L122 L125 F191 T195 S198 F207F107-M117 HydrophobicContact CD2-CE 4.13Å; F107-M117 HydrophobicContact CE2-CE 3.66Å; P115-M117 PolarHBondContact O-N 2.71Å; M117-R121 HydrophobicContact CB-CB 3.86Å; M117-R121 HydrophobicContact SD-CB 4.45Å; M117-L122 HydrophobicContact CB-CD2 4Å; M117-L122 HydrophobicContact CB-CG 4.24Å; M117-L122 HydrophobicContact CE-CD2 4.16Å; M117-L125 HydrophobicContact CE-CD1 3.32Å; M117-L125 HydrophobicContact SD-CD1 3.59Å; M117-L125 VanDerWaalsContact SD-CD1 3.59Å; M117-F191 HydrophobicContact CE-CD1 4.28Å; M117-T195 WeakPolarHBondContact CE-OG1 3.23Å; M117-S198 WeakPolarHBondContact CG-OG 3.23Å; M117-S198 WeakPolarHBondContact SD-CB 3.24Å; M117-S198 PolarHBondContact SD-OG 3.33Å; M117-F207 HydrophobicContact SD-CZ 4.37Å
118S83.5Confident72.9Confident42 Ų4259.6 Ų59.629%0.29430%0.296SS..  trans-59.2156.7174.374.40000110.2C120 R121 L122 D204S118-C120 PolarHBondContact O-N 2.93Å; S118-C120 VanDerWaalsContact O-N 3.17Å; S118-R121 PolarHBondContact O-N 2.85Å; S118-R121 PolarHBondContact OG-N 2.91Å; S118-L122 WeakPolarHBondContact O-CG 3.2Å; S118-L122 PolarHBondContact O-N 3.32Å; S118-D204 WeakPolarHBondContact CB-OD2 3.43Å; S118-D204 PolarHBondContact OG-OD2 3.23Å
119K85.2Confident75Confident159 Ų15956.2 Ų56.269%0.69128%0.278SS*.Hα-helixtrans-53.4-39.1177.7-174.3-179174.9-176.80111.8R121 L122 D123K119-R121 PolarHBondContact O-N 3.49Å; K119-L122 WeakPolarHBondContact O-CB 2.94Å; K119-L122 PolarHBondContact O-N 2.79Å; K119-D123 WeakPolarHBondContact O-CB 3.4Å; K119-D123 PolarHBondContact O-N 2.87Å
120C89.7Confident77.3Confident61 Ų6159.2 Ų59.241%0.41230%0.296SS..Hα-helixtrans-58.4-48.4177.1-172.80000112S118 L122 D123 V124S118-C120 PolarHBondContact O-N 2.93Å; S118-C120 VanDerWaalsContact O-N 3.17Å; C120-L122 VanDerWaalsContact C-N 3.34Å; C120-L122 PolarHBondContact O-N 2.7Å; C120-D123 PolarHBondContact O-N 3.38Å; C120-V124 PolarHBondContact O-N 3.13Å; C120-V124 VanDerWaalsContact O-N 3.09Å
121R91.6Very high79.7Confident14 Ų1462.1 Ų62.15%0.05331%0.308CS..Hα-helixtrans-63.7-39.2177-66.1-167.7-165.9-153.9-0.9112.2M117 S118 K119 V124 L125 S198 I201 D204 F207M117-R121 HydrophobicContact CB-CB 3.86Å; M117-R121 HydrophobicContact SD-CB 4.45Å; S118-R121 PolarHBondContact O-N 2.85Å; S118-R121 PolarHBondContact OG-N 2.91Å; K119-R121 PolarHBondContact O-N 3.49Å; R121-V124 VanDerWaalsContact O-CG1 3.28Å; R121-V124 WeakPolarHBondContact O-CG1 3.5Å; R121-L125 WeakPolarHBondContact O-CB 3.15Å; R121-L125 VanDerWaalsContact O-CG 3.25Å; R121-L125 WeakPolarHBondContact O-CG 3.37Å; R121-L125 PolarHBondContact O-N 3.24Å; R121-L125 VanDerWaalsContact O-N 3.07Å; R121-S198 WeakPolarHBondContact CD-OG 3.49Å; R121-S198 PolarHBondContact NH1-O 3.32Å; R121-S198 PolarHBondContact NH1-OG 3.47Å; R121-I201 VanDerWaalsContact CZ-O 3.28Å; R121-I201 PolarHBondContact NH1-O 3.43Å; R121-I201 PolarHBondContact NH2-O 3.5Å; R121-D204 IonicContact CZ-OD1 2.64Å; R121-D204 IonicContact NE-OD1 2.55Å; R121-D204 PolarHBondContact NE-OD1 2.99Å; R121-D204 IonicContact NH2-OD1 2.67Å; R121-D204 PolarHBondContact NH2-OD1 3.23Å; R121-F207 HydrophobicContact CB-CD1 3.85Å; R121-F207 HydrophobicContact CB-CE1 3.84Å; R121-F207 HydrophobicContact CG-CB 4.3Å; R121-F207 HydrophobicContact CG-CD1 3.49Å; R121-F207 VanDerWaalsContact CG-CD1 3.49Å; R121-F207 HydrophobicContact CG-CE1 3.98Å; R121-F207 HydrophobicContact CG-CG 3.98Å
122L91Very high82.1Confident25 Ų2557 Ų5713%0.13128%0.282CS..Hα-helixtrans-63.7-42.1174.9-63.4175.2000111.9F107 P115 M117 S118 K119 C120 L125 N126 F191F107-L122 HydrophobicContact CE2-CD2 3.64Å; F107-L122 HydrophobicContact CZ-CD2 3.54Å; P115-L122 HydrophobicContact CB-CD1 3.5Å; P115-L122 HydrophobicContact CG-CD1 3.87Å; M117-L122 HydrophobicContact CB-CD2 4Å; M117-L122 HydrophobicContact CB-CG 4.24Å; M117-L122 HydrophobicContact CE-CD2 4.16Å; S118-L122 WeakPolarHBondContact O-CG 3.2Å; S118-L122 PolarHBondContact O-N 3.32Å; K119-L122 WeakPolarHBondContact O-CB 2.94Å; K119-L122 PolarHBondContact O-N 2.79Å; C120-L122 VanDerWaalsContact C-N 3.34Å; C120-L122 PolarHBondContact O-N 2.7Å; L122-L125 PolarHBondContact O-N 3.09Å; L122-N126 WeakPolarHBondContact O-CB 2.92Å; L122-N126 VanDerWaalsContact O-CG 3.31Å; L122-N126 PolarHBondContact O-N 3.4Å; L122-N126 PolarHBondContact O-ND2 3.35Å; L122-N126 VanDerWaalsContact O-ND2 3.09Å; L122-F191 HydrophobicContact CD2-CD1 4.3Å; L122-F191 HydrophobicContact CD2-CE1 4.16Å
123D93.8Very high84.5Confident70 Ų7048.8 Ų48.837%0.37425%0.246SC..Hα-helixtrans-65.1-40.5-178.4-70.5-18.2000111.3K119 C120 N126 K127K119-D123 WeakPolarHBondContact O-CB 3.4Å; K119-D123 PolarHBondContact O-N 2.87Å; C120-D123 PolarHBondContact O-N 3.38Å; D123-N126 PolarHBondContact O-N 3.41Å; D123-K127 WeakPolarHBondContact O-CG 3.08Å; D123-K127 PolarHBondContact O-N 2.72Å; D123-K127 VanDerWaalsContact O-N 3.13Å
124V96.4Very high87Confident1 Ų148.9 Ų48.91%0.00625%0.247CC..Hα-helixtrans-71.4-37.5176.675.60000112.4C120 R121 N126 K127 A128 F207 D208 I211 R212 I217C120-V124 PolarHBondContact O-N 3.13Å; C120-V124 VanDerWaalsContact O-N 3.09Å; R121-V124 VanDerWaalsContact O-CG1 3.28Å; R121-V124 WeakPolarHBondContact O-CG1 3.5Å; V124-N126 VanDerWaalsContact C-N 3.34Å; V124-K127 WeakPolarHBondContact O-CB 3.29Å; V124-K127 PolarHBondContact O-N 2.82Å; V124-A128 PolarHBondContact O-N 3.2Å; V124-F207 HydrophobicContact CG1-CD1 4.19Å; V124-F207 HydrophobicContact CG1-CE1 4.09Å; V124-D208 VanDerWaalsContact CB-OD2 3.26Å; V124-D208 WeakPolarHBondContact CB-OD2 3.34Å; V124-D208 VanDerWaalsContact CG2-OD2 3.23Å; V124-D208 WeakPolarHBondContact CG2-OD2 3.25Å; V124-I211 HydrophobicContact CB-CG2 4.42Å; V124-I211 HydrophobicContact CG1-CB 4.08Å; V124-I211 HydrophobicContact CG1-CG1 4.14Å; V124-I211 HydrophobicContact CG1-CG2 4.14Å; V124-I211 HydrophobicContact CG2-CB 3.89Å; V124-I211 HydrophobicContact CG2-CG2 3.68Å; V124-R212 HydrophobicContact CG2-CG 3.93Å; V124-I217 HydrophobicContact CG2-CD1 4.08Å
125L95.3Very high89.2Confident0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-66-37.5174-71177000112M117 R121 L122 K127 A128 F129 F190 F191 Y194 F207 I211M117-L125 HydrophobicContact CE-CD1 3.32Å; M117-L125 HydrophobicContact SD-CD1 3.59Å; M117-L125 VanDerWaalsContact SD-CD1 3.59Å; R121-L125 WeakPolarHBondContact O-CB 3.15Å; R121-L125 VanDerWaalsContact O-CG 3.25Å; R121-L125 WeakPolarHBondContact O-CG 3.37Å; R121-L125 PolarHBondContact O-N 3.24Å; R121-L125 VanDerWaalsContact O-N 3.07Å; L122-L125 PolarHBondContact O-N 3.09Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.17Å; L125-A128 PolarHBondContact O-N 3.44Å; L125-F129 WeakPolarHBondContact O-CB 3.37Å; L125-F129 PolarHBondContact O-N 2.78Å; L125-F190 HydrophobicContact CD2-CE1 4.33Å; L125-F191 HydrophobicContact CB-CD1 4.29Å; L125-F191 HydrophobicContact CB-CE1 3.65Å; L125-F191 HydrophobicContact CB-CE2 4.38Å; L125-F191 HydrophobicContact CB-CZ 3.7Å; L125-F191 HydrophobicContact CD1-CD1 4.14Å; L125-F191 HydrophobicContact CD1-CE1 4.22Å; L125-Y194 HydrophobicContact CD1-CG 4.37Å; L125-Y194 HydrophobicContact CD2-CD1 3.9Å; L125-Y194 HydrophobicContact CD2-CD2 3.52Å; L125-Y194 HydrophobicContact CD2-CE2 4.17Å; L125-Y194 HydrophobicContact CD2-CG 3.37Å; L125-F207 HydrophobicContact CD1-CE1 4.26Å; L125-F207 HydrophobicContact CD1-CZ 4.13Å; L125-F207 HydrophobicContact CD2-CE1 4.18Å; L125-F207 HydrophobicContact CD2-CZ 4.07Å; L125-F207 HydrophobicContact CG-CE1 4.04Å; L125-F207 HydrophobicContact CG-CZ 4.21Å; L125-I211 HydrophobicContact CD2-CD1 3.66Å; L125-I211 HydrophobicContact CD2-CG1 4.06Å; L125-I211 HydrophobicContact CD2-CG2 4.39Å
126N95.2Very high91.1Very high40 Ų4053.3 Ų53.321%0.21427%0.265CS..Hα-helixtrans-60.6-42.9172.6-81.3-41.3000111.5L122 D123 V124 A128 F129 L130 R187 F191L122-N126 WeakPolarHBondContact O-CB 2.92Å; L122-N126 VanDerWaalsContact O-CG 3.31Å; L122-N126 PolarHBondContact O-N 3.4Å; L122-N126 PolarHBondContact O-ND2 3.35Å; L122-N126 VanDerWaalsContact O-ND2 3.09Å; D123-N126 PolarHBondContact O-N 3.41Å; V124-N126 VanDerWaalsContact C-N 3.34Å; N126-A128 VanDerWaalsContact C-N 3.34Å; N126-F129 PolarHBondContact O-N 3.07Å; N126-L130 WeakPolarHBondContact O-CB 3.38Å; N126-L130 VanDerWaalsContact O-CG 3.25Å; N126-L130 WeakPolarHBondContact O-CG 3.15Å; N126-L130 PolarHBondContact O-N 3.33Å; N126-R187 PolarHBondContact OD1-NH2 2.95Å; N126-F191 HydrophobicContact CB-CZ 4.5Å; N126-F191 WeakPolarHBondContact OD1-CZ 3.3Å
127K96.9Very high92.7Very high100 Ų10056.2 Ų56.244%0.43528%0.278SS..Hα-helixtrans-63.8-40.2175.7-70.1172.1-171.5176.60111.9D123 V124 L125 K131 I217D123-K127 WeakPolarHBondContact O-CG 3.08Å; D123-K127 PolarHBondContact O-N 2.72Å; D123-K127 VanDerWaalsContact O-N 3.13Å; V124-K127 WeakPolarHBondContact O-CB 3.29Å; V124-K127 PolarHBondContact O-N 2.82Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.17Å; K127-K131 VanDerWaalsContact O-CB 3.31Å; K127-K131 WeakPolarHBondContact O-CB 3.4Å; K127-K131 PolarHBondContact O-N 2.8Å; K127-I217 HydrophobicContact CB-CD1 3.54Å
128A96.9Very high93.7Very high0 Ų057.6 Ų57.60%030%0.295CS..Hα-helixtrans-64.2-46.8176.300000111.4V124 L125 N126 L130 K131 M132 F190 I211 Y215 I217V124-A128 PolarHBondContact O-N 3.2Å; L125-A128 PolarHBondContact O-N 3.44Å; N126-A128 VanDerWaalsContact C-N 3.34Å; A128-L130 PolarHBondContact O-N 3.41Å; A128-K131 WeakPolarHBondContact O-CB 3.18Å; A128-K131 PolarHBondContact O-N 2.89Å; A128-K131 VanDerWaalsContact O-N 3.17Å; A128-M132 WeakPolarHBondContact O-CG 3.39Å; A128-M132 PolarHBondContact O-N 3.26Å; A128-M132 VanDerWaalsContact O-N 3.15Å; A128-F190 HydrophobicContact CB-CE1 4.33Å; A128-F190 HydrophobicContact CB-CZ 4.06Å; A128-I211 HydrophobicContact CB-CG2 3.85Å; A128-Y215 HydrophobicContact CB-CD1 4.34Å; A128-Y215 HydrophobicContact CB-CD2 3.47Å; A128-Y215 VanDerWaalsContact CB-CD2 3.47Å; A128-Y215 HydrophobicContact CB-CE2 3.85Å; A128-Y215 HydrophobicContact CB-CG 3.72Å; A128-I217 HydrophobicContact CB-CD1 4.12Å
129F96.5Very high94.2Very high4 Ų456.4 Ų56.42%0.01829%0.288CS..Hα-helixtrans-58.5-51176.5-172.7-88.9000111.5L125 N126 K131 M132 D133 G138 I140 R187 F190 F191L125-F129 WeakPolarHBondContact O-CB 3.37Å; L125-F129 PolarHBondContact O-N 2.78Å; N126-F129 PolarHBondContact O-N 3.07Å; F129-K131 PolarHBondContact O-N 3.22Å; F129-M132 CarbonylContact O-C 3.6Å; F129-M132 WeakPolarHBondContact O-CA 3.48Å; F129-M132 PolarHBondContact O-N 2.83Å; F129-D133 HydrophobicContact CD1-CB 4.26Å; F129-D133 HydrophobicContact CE1-CB 3.89Å; F129-D133 HydrophobicContact CZ-CB 4.44Å; F129-D133 PolarHBondContact O-N 3.48Å; F129-G138 WeakPolarHBondContact CZ-O 3.35Å; F129-I140 HydrophobicContact CD2-CD1 3.58Å; F129-I140 HydrophobicContact CD2-CG1 4.22Å; F129-I140 HydrophobicContact CE2-CD1 3.49Å; F129-I140 VanDerWaalsContact CE2-CD1 3.49Å; F129-I140 HydrophobicContact CE2-CG1 3.74Å; F129-I140 HydrophobicContact CG-CD1 4.39Å; F129-I140 HydrophobicContact CZ-CD1 4.26Å; F129-I140 HydrophobicContact CZ-CG1 4.02Å; F129-R187 HydrophobicContact CD1-CG 4.42Å; F129-R187 HydrophobicContact CD2-CB 4.43Å; F129-R187 HydrophobicContact CD2-CG 4.33Å; F129-R187 HydrophobicContact CE1-CB 4.17Å; F129-R187 HydrophobicContact CE1-CG 4.34Å; F129-R187 HydrophobicContact CE2-CB 3.86Å; F129-R187 HydrophobicContact CE2-CG 4.25Å; F129-R187 HydrophobicContact CG-CG 4.42Å; F129-R187 HydrophobicContact CZ-CB 3.72Å; F129-R187 HydrophobicContact CZ-CG 4.26Å; F129-F190 HydrophobicContact CB-CD1 4.17Å; F129-F190 HydrophobicContact CB-CE1 4.12Å; F129-F190 HydrophobicContact CD2-CB 3.83Å; F129-F190 AromaticContact CD2-CD1 3.87Å; F129-F190 HydrophobicContact CD2-CD1 3.87Å; F129-F190 HydrophobicContact CD2-CD2 4.31Å; F129-F190 AromaticContact CD2-CG 3.74Å; F129-F190 HydrophobicContact CD2-CG 3.74Å; F129-F190 HydrophobicContact CE2-CB 4.11Å; F129-F190 HydrophobicContact CE2-CG 4.44Å; F129-F191 HydrophobicContact CB-CE2 4.25Å
130L95.7Very high94.7Very high115 Ų11548.8 Ų48.860%0.60226%0.255SS*.Hα-helixtrans-65.4-22.2178.6-69.1172.7000113.9N126 A128N126-L130 WeakPolarHBondContact O-CB 3.38Å; N126-L130 VanDerWaalsContact O-CG 3.25Å; N126-L130 WeakPolarHBondContact O-CG 3.15Å; N126-L130 PolarHBondContact O-N 3.33Å; A128-L130 PolarHBondContact O-N 3.41Å
131K95.3Very high95Very high85 Ų8547.3 Ų47.337%0.3724%0.243SC..Hα-helixtrans-72.9-35.4172.816963.4-175.6179.90110.8K127 A128 F129 V148 I217K127-K131 VanDerWaalsContact O-CB 3.31Å; K127-K131 WeakPolarHBondContact O-CB 3.4Å; K127-K131 PolarHBondContact O-N 2.8Å; A128-K131 WeakPolarHBondContact O-CB 3.18Å; A128-K131 PolarHBondContact O-N 2.89Å; A128-K131 VanDerWaalsContact O-N 3.17Å; F129-K131 PolarHBondContact O-N 3.22Å; K131-V148 WeakPolarHBondContact O-CG2 3.24Å; K131-I217 HydrophobicContact CB-CG2 3.92Å; K131-I217 HydrophobicContact CD-CG2 4.39Å; K131-I217 HydrophobicContact CG-CG2 3.9Å
132M95.1Very high95.1Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-80.9-48.4179.4-65.8177.976.200111.6A128 F129 K134 I140 D144 L145 F171 F175 F190 Y215A128-M132 WeakPolarHBondContact O-CG 3.39Å; A128-M132 PolarHBondContact O-N 3.26Å; A128-M132 VanDerWaalsContact O-N 3.15Å; F129-M132 CarbonylContact O-C 3.6Å; F129-M132 WeakPolarHBondContact O-CA 3.48Å; F129-M132 PolarHBondContact O-N 2.83Å; M132-K134 PolarHBondContact O-N 3.26Å; M132-I140 HydrophobicContact CB-CD1 3.59Å; M132-I140 HydrophobicContact CB-CG1 3.88Å; M132-I140 HydrophobicContact CB-CG2 4.12Å; M132-I140 HydrophobicContact CE-CD1 4.07Å; M132-I140 HydrophobicContact CE-CG2 4.07Å; M132-I140 HydrophobicContact CG-CD1 4.38Å; M132-I140 HydrophobicContact SD-CD1 3.9Å; M132-D144 VanDerWaalsContact O-CB 3.31Å; M132-D144 WeakPolarHBondContact O-CB 3.47Å; M132-L145 HydrophobicContact CE-CD2 3.6Å; M132-F171 HydrophobicContact CE-CE1 3.64Å; M132-F171 HydrophobicContact CE-CZ 4.2Å; M132-F175 HydrophobicContact CE-CE2 4.12Å; M132-F175 HydrophobicContact CE-CZ 4.19Å; M132-F190 HydrophobicContact CE-CE2 4.48Å; M132-F190 HydrophobicContact SD-CD2 4.39Å; M132-F190 HydrophobicContact SD-CE2 3.5Å; M132-F190 VanDerWaalsContact SD-CE2 3.5Å; M132-F190 HydrophobicContact SD-CZ 4.07Å; M132-Y215 HydrophobicContact CE-CE1 4.27Å; M132-Y215 HydrophobicContact CG-CD1 4.15Å; M132-Y215 HydrophobicContact CG-CE1 4.05Å; M132-Y215 HydrophobicContact SD-CD1 3.93Å; M132-Y215 HydrophobicContact SD-CE1 3.24Å; M132-Y215 WeakPolarHBondContact SD-CE1 3.44Å
133D96.3Very high95.3Very high6 Ų653.3 Ų53.33%0.03227%0.272CS..  trans-69.689.2175.81768.5000110.3F129 T135 K136 D137 G138 A139 I140F129-D133 HydrophobicContact CD1-CB 4.26Å; F129-D133 HydrophobicContact CE1-CB 3.89Å; F129-D133 HydrophobicContact CZ-CB 4.44Å; F129-D133 PolarHBondContact O-N 3.48Å; D133-T135 PolarHBondContact OD1-OG1 3.43Å; D133-K136 WeakPolarHBondContact OD1-CA 3.47Å; D133-K136 PolarHBondContact OD1-N 3.24Å; D133-D137 PolarHBondContact OD1-N 3.43Å; D133-G138 VanDerWaalsContact OD2-CA 3.31Å; D133-G138 WeakPolarHBondContact OD2-CA 3.25Å; D133-G138 PolarHBondContact OD2-N 2.97Å; D133-A139 VanDerWaalsContact CG-O 3.28Å; D133-I140 HydrophobicContact CB-CG1 4.21Å
134K94.6Very high95.3Very high115 Ų11550 Ų5050%0.525%0.254SS..SBendtrans-83.5-35.3-175.9-69.6-70.4-77.8167.40111.5M132 K136 D144 V148M132-K134 PolarHBondContact O-N 3.26Å; K134-K136 PolarHBondContact O-N 3.31Å; K134-D144 WeakPolarHBondContact CA-OD1 3.39Å; K134-D144 HydrophobicContact CB-CB 4.43Å; K134-D144 WeakPolarHBondContact CB-OD1 3.19Å; K134-D144 PolarHBondContact N-OD1 3.34Å; K134-V148 HydrophobicContact CD-CG2 3.75Å; K134-V148 HydrophobicContact CG-CG2 3.56Å
135T94.5Very high95.2Very high59 Ų5950 Ų5036%0.36225%0.254SS..SBendtrans-67.2-26.717459.40000111.3D133 D137 D144D133-T135 PolarHBondContact OD1-OG1 3.43Å; T135-D137 VanDerWaalsContact C-N 3.28Å; T135-D137 PolarHBondContact OG1-OD1 3.07Å; T135-D137 PolarHBondContact OG1-OD2 3.33Å; T135-D144 WeakPolarHBondContact CG2-OD1 3.31Å; T135-D144 PolarHBondContact N-OD1 3.24Å; T135-D144 PolarHBondContact OG1-OD1 3.43Å
136K94.4Very high95.1Very high171 Ų17154.1 Ų54.174%0.74327%0.272SS*.  trans64.431-175.3-52.5-178.9-178.9177.20112.8D133 K134 G138D133-K136 WeakPolarHBondContact OD1-CA 3.47Å; D133-K136 PolarHBondContact OD1-N 3.24Å; K134-K136 PolarHBondContact O-N 3.31Å; K136-G138 VanDerWaalsContact C-N 3.3Å
137D94.9Very high94.8Very high103 Ų10354.7 Ų54.755%0.55129%0.288SS*.SBendtrans-87.1-4176.662.825.9000112.9D133 T135 A139D133-D137 PolarHBondContact OD1-N 3.43Å; T135-D137 VanDerWaalsContact C-N 3.28Å; T135-D137 PolarHBondContact OG1-OD1 3.07Å; T135-D137 PolarHBondContact OG1-OD2 3.33Å; D137-A139 PolarHBondContact OD1-N 2.95Å
138G94.6Very high94.4Very high40 Ų4051.6 Ų51.641%0.41228%0.277SS..SBendtrans90.77.317900000114F129 D133 K136F129-G138 WeakPolarHBondContact CZ-O 3.35Å; D133-G138 VanDerWaalsContact OD2-CA 3.31Å; D133-G138 WeakPolarHBondContact OD2-CA 3.25Å; D133-G138 PolarHBondContact OD2-N 2.97Å; K136-G138 VanDerWaalsContact C-N 3.3Å
139A95.4Very high94.1Very high16 Ų1655.2 Ų55.213%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-128.1164.1171.500000110.9D133 D137 I184D133-A139 VanDerWaalsContact CG-O 3.28Å; D137-A139 PolarHBondContact OD1-N 2.95Å; A139-I184 HydrophobicContact CB-CG2 3.64Å
140I95.7Very high93.9Very high0 Ų060 Ų600%032%0.317CS..EExtended strand (participates in β ladder)trans-114.5121.9174.1-58.7164.2000107.8F129 M132 D133 D144 L145 L172 V185 F190F129-I140 HydrophobicContact CD2-CD1 3.58Å; F129-I140 HydrophobicContact CD2-CG1 4.22Å; F129-I140 HydrophobicContact CE2-CD1 3.49Å; F129-I140 VanDerWaalsContact CE2-CD1 3.49Å; F129-I140 HydrophobicContact CE2-CG1 3.74Å; F129-I140 HydrophobicContact CG-CD1 4.39Å; F129-I140 HydrophobicContact CZ-CD1 4.26Å; F129-I140 HydrophobicContact CZ-CG1 4.02Å; M132-I140 HydrophobicContact CB-CD1 3.59Å; M132-I140 HydrophobicContact CB-CG1 3.88Å; M132-I140 HydrophobicContact CB-CG2 4.12Å; M132-I140 HydrophobicContact CE-CD1 4.07Å; M132-I140 HydrophobicContact CE-CG2 4.07Å; M132-I140 HydrophobicContact CG-CD1 4.38Å; M132-I140 HydrophobicContact SD-CD1 3.9Å; D133-I140 HydrophobicContact CB-CG1 4.21Å; I140-D144 HydrophobicContact CG2-CB 4.42Å; I140-L145 HydrophobicContact CG2-CD2 3.92Å; I140-L145 HydrophobicContact CG2-CG 4.17Å; I140-L172 HydrophobicContact CG2-CD2 3.85Å; I140-V185 HydrophobicContact CB-CB 4.2Å; I140-V185 PolarHBondContact N-O 3.27Å; I140-V185 PolarHBondContact O-N 3.32Å; I140-F190 HydrophobicContact CD1-CD2 3.99Å; I140-F190 HydrophobicContact CD1-CE2 4.35Å
141T95.3Very high93.7Very high29 Ų2955 Ų5518%0.17829%0.291CS..  trans-119.3177.1-178.968.40000111.9E143 D144 L145 I184T141-E143 VanDerWaalsContact C-N 3.25Å; T141-E143 PolarHBondContact O-N 2.92Å; T141-E143 PolarHBondContact OG1-N 3.14Å; T141-D144 PolarHBondContact N-OD2 3.44Å; T141-D144 WeakPolarHBondContact O-CB 3.39Å; T141-D144 PolarHBondContact O-N 3.16Å; T141-D144 PolarHBondContact OG1-N 3.41Å; T141-D144 PolarHBondContact OG1-OD2 2.97Å; T141-L145 WeakPolarHBondContact O-CG 3.21Å; T141-L145 PolarHBondContact O-N 3Å; T141-L145 VanDerWaalsContact O-N 3.14Å; T141-I184 HydrophobicContact CG2-CG1 4.48Å
142I93.8Very high93.6Very high22 Ų2257.8 Ų57.811%0.11330%0.303CS..Hα-helixtrans-60.6-37.3172.3-58.5170.6000111D144 L145 K146 L168 V169 L172I142-D144 VanDerWaalsContact C-N 3.3Å; I142-D144 PolarHBondContact O-N 3.37Å; I142-L145 PolarHBondContact O-N 2.82Å; I142-K146 HydrophobicContact CG2-CD 4.23Å; I142-K146 HydrophobicContact CG2-CG 4.35Å; I142-K146 WeakPolarHBondContact O-CG 3.49Å; I142-K146 PolarHBondContact O-N 2.91Å; I142-L168 HydrophobicContact CG2-CB 4.33Å; I142-L168 HydrophobicContact CG2-CD1 4.05Å; I142-V169 HydrophobicContact CD1-CG2 3.38Å; I142-V169 HydrophobicContact CG1-CG2 4.04Å; I142-L172 HydrophobicContact CG1-CD1 3.84Å
143E94.1Very high93.5Very high144 Ų14464.6 Ų64.667%0.67334%0.34SS*.Hα-helixtrans-59.5-44.8178.7-177.3177.8169.800110.8T141 G147T141-E143 VanDerWaalsContact C-N 3.25Å; T141-E143 PolarHBondContact O-N 2.92Å; T141-E143 PolarHBondContact OG1-N 3.14Å; E143-G147 PolarHBondContact O-N 3Å
144D95.6Very high93.3Very high0 Ų067.6 Ų67.60%035%0.353CS..Hα-helixtrans-58.9-50.1175.2-69.2-61.9000112.2M132 K134 T135 I140 T141 I142 K146 G147 V148M132-D144 VanDerWaalsContact O-CB 3.31Å; M132-D144 WeakPolarHBondContact O-CB 3.47Å; K134-D144 WeakPolarHBondContact CA-OD1 3.39Å; K134-D144 HydrophobicContact CB-CB 4.43Å; K134-D144 WeakPolarHBondContact CB-OD1 3.19Å; K134-D144 PolarHBondContact N-OD1 3.34Å; T135-D144 WeakPolarHBondContact CG2-OD1 3.31Å; T135-D144 PolarHBondContact N-OD1 3.24Å; T135-D144 PolarHBondContact OG1-OD1 3.43Å; I140-D144 HydrophobicContact CG2-CB 4.42Å; T141-D144 PolarHBondContact N-OD2 3.44Å; T141-D144 WeakPolarHBondContact O-CB 3.39Å; T141-D144 PolarHBondContact O-N 3.16Å; T141-D144 PolarHBondContact OG1-N 3.41Å; T141-D144 PolarHBondContact OG1-OD2 2.97Å; I142-D144 VanDerWaalsContact C-N 3.3Å; I142-D144 PolarHBondContact O-N 3.37Å; D144-K146 PolarHBondContact O-N 3.45Å; D144-G147 WeakPolarHBondContact O-CA 3.33Å; D144-G147 PolarHBondContact O-N 2.94Å; D144-V148 WeakPolarHBondContact O-CG2 3.46Å; D144-V148 PolarHBondContact O-N 3.19Å
145L93.4Very high93.4Very high0 Ų066.5 Ų66.50%036%0.358CS..Hα-helixtrans-66-36.2-176.6-67-174.1000113.2M132 I140 T141 I142 G147 V148 Y149 L168 F171 L172M132-L145 HydrophobicContact CE-CD2 3.6Å; I140-L145 HydrophobicContact CG2-CD2 3.92Å; I140-L145 HydrophobicContact CG2-CG 4.17Å; T141-L145 WeakPolarHBondContact O-CG 3.21Å; T141-L145 PolarHBondContact O-N 3Å; T141-L145 VanDerWaalsContact O-N 3.14Å; I142-L145 PolarHBondContact O-N 2.82Å; L145-G147 PolarHBondContact O-N 2.96Å; L145-V148 PolarHBondContact O-N 2.78Å; L145-Y149 HydrophobicContact CB-CD2 4.47Å; L145-Y149 HydrophobicContact CD2-CD2 3.91Å; L145-Y149 HydrophobicContact CD2-CE2 3.85Å; L145-Y149 PolarHBondContact O-N 3.46Å; L145-L168 HydrophobicContact CB-CD1 4.27Å; L145-L168 HydrophobicContact CB-CD2 4.1Å; L145-L168 HydrophobicContact CD1-CB 4.35Å; L145-L168 HydrophobicContact CD1-CD2 4.39Å; L145-F171 HydrophobicContact CD1-CD1 3.65Å; L145-F171 HydrophobicContact CD1-CE1 4.19Å; L145-F171 HydrophobicContact CD2-CD1 4.38Å; L145-F171 HydrophobicContact CD2-CE1 4.1Å; L145-L172 HydrophobicContact CD1-CD1 4.18Å; L145-L172 HydrophobicContact CD1-CD2 3.5Å; L145-L172 HydrophobicContact CD1-CG 3.58Å; L145-L172 HydrophobicContact CG-CD2 4.18Å
146K93.3Very high93.5Very high88 Ų8867.1 Ų67.138%0.38336%0.356SS..Hα-helixtrans-59.4-29172.6-75.9178.8174.5172.90112.1I142 D144 V148 D165 L168I142-K146 HydrophobicContact CG2-CD 4.23Å; I142-K146 HydrophobicContact CG2-CG 4.35Å; I142-K146 WeakPolarHBondContact O-CG 3.49Å; I142-K146 PolarHBondContact O-N 2.91Å; D144-K146 PolarHBondContact O-N 3.45Å; K146-V148 VanDerWaalsContact C-N 3.32Å; K146-D165 WeakPolarHBondContact CE-OD1 3.4Å; K146-D165 VanDerWaalsContact NZ-CG 3.3Å; K146-D165 IonicContact NZ-OD1 3.61Å; K146-D165 PolarHBondContact NZ-OD1 2.64Å; K146-D165 IonicContact NZ-OD2 2.77Å; K146-D165 PolarHBondContact NZ-OD2 2.83Å; K146-L168 HydrophobicContact CG-CD1 3.52Å
147G88.1Confident93.5Very high52 Ų5262.5 Ų62.554%0.53634%0.336SS..THydrogen-bonded Turntrans-79.9-7.4174.400000115.1E143 D144 L145E143-G147 PolarHBondContact O-N 3Å; D144-G147 WeakPolarHBondContact O-CA 3.33Å; D144-G147 PolarHBondContact O-N 2.94Å; L145-G147 PolarHBondContact O-N 2.96Å
148V89.7Confident93.6Very high35 Ų3563.2 Ų63.221%0.21234%0.338CS..THydrogen-bonded Turntrans-118.8-40.8-174.9179.90000112.4K131 K134 D144 L145 K146K131-V148 WeakPolarHBondContact O-CG2 3.24Å; K134-V148 HydrophobicContact CD-CG2 3.75Å; K134-V148 HydrophobicContact CG-CG2 3.56Å; D144-V148 WeakPolarHBondContact O-CG2 3.46Å; D144-V148 PolarHBondContact O-N 3.19Å; L145-V148 PolarHBondContact O-N 2.78Å; K146-V148 VanDerWaalsContact C-N 3.32Å
149Y90.6Very high93.6Very high76 Ų7666 Ų6630%0.29834%0.344SS..  trans-118.5157.4-173-61.4-69.2000111.6L145 F171L145-Y149 HydrophobicContact CB-CD2 4.47Å; L145-Y149 HydrophobicContact CD2-CD2 3.91Å; L145-Y149 HydrophobicContact CD2-CE2 3.85Å; L145-Y149 PolarHBondContact O-N 3.46Å; Y149-F171 HydrophobicContact CE2-CE1 4.24Å; Y149-F171 HydrophobicContact CE2-CZ 4.47Å
150N91.3Very high93.5Very high105 Ų10568.3 Ų68.356%0.56137%0.369SS*.  trans-131.8122.1178.2-172.9-43.6000109.3K152N150-K152 WeakPolarHBondContact OD1-CB 3.4Å; N150-K152 WeakPolarHBondContact OD1-CG 3.25Å; N150-K152 PolarHBondContact OD1-N 3.05Å
151V91.9Very high93.6Very high10 Ų1073.2 Ų73.26%0.06139%0.392CS..  trans-87.4-2-175.3-57.60000114.1N153 H154 F157 E164 I167 L168V151-N153 PolarHBondContact O-N 2.9Å; V151-H154 HydrophobicContact CB-CB 4.42Å; V151-H154 WeakPolarHBondContact O-CB 3.44Å; V151-H154 PolarHBondContact O-N 2.98Å; V151-F157 HydrophobicContact CG2-CD1 4.23Å; V151-F157 HydrophobicContact CG2-CD2 3.79Å; V151-F157 HydrophobicContact CG2-CE1 4.42Å; V151-F157 HydrophobicContact CG2-CE2 4Å; V151-F157 HydrophobicContact CG2-CG 3.91Å; V151-F157 HydrophobicContact CG2-CZ 4.3Å; V151-F157 WeakPolarHBondContact O-CB 3.38Å; V151-E164 HydrophobicContact CB-CG 4.44Å; V151-E164 HydrophobicContact CG1-CG 4.05Å; V151-E164 HydrophobicContact CG2-CB 3.6Å; V151-E164 HydrophobicContact CG2-CG 3.53Å; V151-I167 HydrophobicContact CB-CD1 4.36Å; V151-I167 HydrophobicContact CG1-CB 4.31Å; V151-I167 HydrophobicContact CG1-CG2 3.95Å; V151-L168 HydrophobicContact CG1-CD2 4.08Å; V151-L168 HydrophobicContact CG1-CG 4.27Å
152K92.6Very high93.6Very high142 Ų14273.5 Ų73.562%0.61739%0.391SS*.THydrogen-bonded Turntrans-56-26.8-172.6-74.6176.1-177.4-174.30114.2N150 F157 I158N150-K152 WeakPolarHBondContact OD1-CB 3.4Å; N150-K152 WeakPolarHBondContact OD1-CG 3.25Å; N150-K152 PolarHBondContact OD1-N 3.05Å; K152-F157 HydrophobicContact CG-CE1 4.4Å; K152-I158 WeakPolarHBondContact O-CG1 3.31Å
153N93.4Very high93.7Very high144 Ų14476 Ų7677%0.7741%0.407SS*.THydrogen-bonded Turntrans-97.12.1178.4-63.4-35.4000113.5V151V151-N153 PolarHBondContact O-N 2.9Å
154H93Very high93.7Very high68 Ų6872 Ų7232%0.31539%0.389SS..  trans-73.4127.7178.7-171.3-91.6000109.9V151 K156 F157 I158 I167V151-H154 HydrophobicContact CB-CB 4.42Å; V151-H154 WeakPolarHBondContact O-CB 3.44Å; V151-H154 PolarHBondContact O-N 2.98Å; H154-K156 VanDerWaalsContact C-N 3.27Å; H154-K156 PolarHBondContact ND1-N 3.23Å; H154-K156 PolarHBondContact O-N 3.43Å; H154-F157 HydrophobicContact CB-CB 4.09Å; H154-F157 WeakPolarHBondContact O-CB 3.41Å; H154-F157 PolarHBondContact O-N 3.17Å; H154-I158 WeakPolarHBondContact O-CG1 3.43Å; H154-I158 PolarHBondContact O-N 3.22Å; H154-I167 HydrophobicContact CB-CD1 4.12Å; H154-I167 WeakPolarHBondContact ND1-CD1 3.12Å
155P96.1Very high93.6Very high92 Ų9275.3 Ų75.360%0.59741%0.406SS*.Hα-helixtrans-55.1-40.1-174.9-27.934.5000114F157 I158 N159P155-F157 VanDerWaalsContact C-N 3.3Å; P155-F157 PolarHBondContact O-N 3.21Å; P155-I158 PolarHBondContact O-N 3.45Å; P155-N159 VanDerWaalsContact O-CG 3.27Å; P155-N159 PolarHBondContact O-N 2.95Å; P155-N159 PolarHBondContact O-OD1 3.49Å
156K95.4Very high93.6Very high72 Ų7280 Ų8031%0.31343%0.428SS..Hα-helixtrans-73.2-19.4178.5-57.6-166.7168.8-152.10114.3H154 N159 E161 K162H154-K156 VanDerWaalsContact C-N 3.27Å; H154-K156 PolarHBondContact ND1-N 3.23Å; H154-K156 PolarHBondContact O-N 3.43Å; K156-N159 WeakPolarHBondContact CA-OD1 3.45Å; K156-N159 PolarHBondContact O-OD1 3.24Å; K156-E161 HydrophobicContact CB-CB 4.27Å; K156-E161 WeakPolarHBondContact CD-OE1 3.39Å; K156-E161 VanDerWaalsContact CE-OE1 3.28Å; K156-E161 WeakPolarHBondContact CE-OE1 3.11Å; K156-E161 IonicContact NZ-OE1 3.94Å; K156-E161 PolarHBondContact NZ-OE1 3.15Å; K156-E161 IonicContact NZ-OE2 3.23Å; K156-E161 PolarHBondContact O-N 3Å; K156-E161 VanDerWaalsContact O-N 3.08Å; K156-K162 HydrophobicContact CB-CB 4.16Å; K156-K162 HydrophobicContact CB-CD 4.39Å; K156-K162 HydrophobicContact CB-CG 4.17Å; K156-K162 HydrophobicContact CD-CD 3.87Å; K156-K162 HydrophobicContact CD-CG 4.27Å; K156-K162 PolarHBondContact O-N 2.84Å
157F95.5Very high93.7Very high75 Ų7576.6 Ų76.633%0.32941%0.414SS..Hα-helixtrans-80.9-44.4171.8-174.8-102.4000109.9V151 K152 H154 P155 N159 G160 K162 E164 I167V151-F157 HydrophobicContact CG2-CD1 4.23Å; V151-F157 HydrophobicContact CG2-CD2 3.79Å; V151-F157 HydrophobicContact CG2-CE1 4.42Å; V151-F157 HydrophobicContact CG2-CE2 4Å; V151-F157 HydrophobicContact CG2-CG 3.91Å; V151-F157 HydrophobicContact CG2-CZ 4.3Å; V151-F157 WeakPolarHBondContact O-CB 3.38Å; K152-F157 HydrophobicContact CG-CE1 4.4Å; H154-F157 HydrophobicContact CB-CB 4.09Å; H154-F157 WeakPolarHBondContact O-CB 3.41Å; H154-F157 PolarHBondContact O-N 3.17Å; P155-F157 VanDerWaalsContact C-N 3.3Å; P155-F157 PolarHBondContact O-N 3.21Å; F157-N159 VanDerWaalsContact C-N 3.35Å; F157-N159 PolarHBondContact O-N 3.3Å; F157-G160 PolarHBondContact O-N 3.07Å; F157-G160 VanDerWaalsContact O-N 3.13Å; F157-K162 WeakPolarHBondContact CA-O 3.43Å; F157-E164 HydrophobicContact CE2-CB 4.14Å; F157-I167 HydrophobicContact CB-CD1 3.67Å; F157-I167 HydrophobicContact CD2-CD1 4.39Å; F157-I167 HydrophobicContact CG-CD1 4.48Å
158I95.8Very high94Very high117 Ų11774.4 Ų74.460%0.639%0.39SS*.Hα-helixtrans-61.1-42.1-179.7-64.9167.8000111.7K152 H154 P155 G160K152-I158 WeakPolarHBondContact O-CG1 3.31Å; H154-I158 WeakPolarHBondContact O-CG1 3.43Å; H154-I158 PolarHBondContact O-N 3.22Å; P155-I158 PolarHBondContact O-N 3.45Å; I158-G160 VanDerWaalsContact C-N 3.26Å; I158-G160 PolarHBondContact O-N 3.18Å
159N95.8Very high94Very high100 Ų10073.5 Ų73.554%0.53539%0.385SS..THydrogen-bonded Turntrans-81.6-1.4179.873.7-1.1000113.6P155 K156 F157 E161P155-N159 VanDerWaalsContact O-CG 3.27Å; P155-N159 PolarHBondContact O-N 2.95Å; P155-N159 PolarHBondContact O-OD1 3.49Å; K156-N159 WeakPolarHBondContact CA-OD1 3.45Å; K156-N159 PolarHBondContact O-OD1 3.24Å; F157-N159 VanDerWaalsContact C-N 3.35Å; F157-N159 PolarHBondContact O-N 3.3Å; N159-E161 VanDerWaalsContact C-N 3.28Å; N159-E161 PolarHBondContact ND2-OE2 3.2Å; N159-E161 PolarHBondContact O-N 3.24Å; N159-E161 WeakPolarHBondContact OD1-CB 3.45Å; N159-E161 PolarHBondContact OD1-N 3.45Å
160G94Very high94Very high64 Ų6474.5 Ų74.566%0.6639%0.392SS*.THydrogen-bonded Turntrans72.710.7-178.400000115.4F157 I158F157-G160 PolarHBondContact O-N 3.07Å; F157-G160 VanDerWaalsContact O-N 3.13Å; I158-G160 VanDerWaalsContact C-N 3.26Å; I158-G160 PolarHBondContact O-N 3.18Å
161E96.7Very high94Very high103 Ų10372.9 Ų72.948%0.48138%0.38SS..SBendtrans-68.6-35.8177.8-175.6-167.9148.300111.8K156 N159K156-E161 HydrophobicContact CB-CB 4.27Å; K156-E161 WeakPolarHBondContact CD-OE1 3.39Å; K156-E161 VanDerWaalsContact CE-OE1 3.28Å; K156-E161 WeakPolarHBondContact CE-OE1 3.11Å; K156-E161 IonicContact NZ-OE1 3.94Å; K156-E161 PolarHBondContact NZ-OE1 3.15Å; K156-E161 IonicContact NZ-OE2 3.23Å; K156-E161 PolarHBondContact O-N 3Å; K156-E161 VanDerWaalsContact O-N 3.08Å; N159-E161 VanDerWaalsContact C-N 3.28Å; N159-E161 PolarHBondContact ND2-OE2 3.2Å; N159-E161 PolarHBondContact O-N 3.24Å; N159-E161 WeakPolarHBondContact OD1-CB 3.45Å; N159-E161 PolarHBondContact OD1-N 3.45Å
162K95.5Very high93.9Very high34 Ų3472.5 Ų72.515%0.14838%0.377CS..SBendtrans-136.2142.1-179.4-63.7-168.6-179-175.90112.1K156 F157 E166 I167 E170K156-K162 HydrophobicContact CB-CB 4.16Å; K156-K162 HydrophobicContact CB-CD 4.39Å; K156-K162 HydrophobicContact CB-CG 4.17Å; K156-K162 HydrophobicContact CD-CD 3.87Å; K156-K162 HydrophobicContact CD-CG 4.27Å; K156-K162 PolarHBondContact O-N 2.84Å; F157-K162 WeakPolarHBondContact CA-O 3.43Å; K162-E166 WeakPolarHBondContact CA-OE2 3.43Å; K162-E166 HydrophobicContact CB-CB 4.3Å; K162-I167 HydrophobicContact CB-CD1 4.13Å; K162-I167 HydrophobicContact CB-CG1 3.83Å; K162-I167 HydrophobicContact CD-CG1 4.36Å; K162-E170 IonicContact NZ-OE1 2.64Å; K162-E170 PolarHBondContact NZ-OE1 3.29Å; K162-E170 IonicContact NZ-OE2 3.21Å; K162-E170 PolarHBondContact NZ-OE2 3.32Å
163T95.4Very high93.7Very high76 Ų7670.6 Ų70.647%0.46637%0.369SS..  trans-71.2167169.263.10000111.5D165 E166 I167T163-D165 VanDerWaalsContact C-N 3.3Å; T163-D165 PolarHBondContact O-N 3.01Å; T163-E166 WeakPolarHBondContact CB-OE2 3.15Å; T163-E166 WeakPolarHBondContact CG2-OE2 3.24Å; T163-E166 PolarHBondContact N-OE2 2.65Å; T163-E166 VanDerWaalsContact OG1-CG 3.26Å; T163-E166 WeakPolarHBondContact OG1-CG 3.35Å; T163-E166 PolarHBondContact OG1-N 3.47Å; T163-E166 PolarHBondContact OG1-OE2 2.89Å; T163-I167 WeakPolarHBondContact O-CD1 3.18Å; T163-I167 WeakPolarHBondContact O-CG1 3.11Å; T163-I167 PolarHBondContact O-N 2.87Å
164E95Very high93.4Very high60 Ų6066.9 Ų66.928%0.2835%0.352SS..Hα-helixtrans-57.1-46172.8176.4166.4-132.200111.5V151 F157 E166 I167 L168V151-E164 HydrophobicContact CB-CG 4.44Å; V151-E164 HydrophobicContact CG1-CG 4.05Å; V151-E164 HydrophobicContact CG2-CB 3.6Å; V151-E164 HydrophobicContact CG2-CG 3.53Å; F157-E164 HydrophobicContact CE2-CB 4.14Å; E164-E166 PolarHBondContact O-N 2.9Å; E164-I167 PolarHBondContact O-N 3.37Å; E164-L168 HydrophobicContact CG-CD1 3.91Å; E164-L168 HydrophobicContact CG-CG 4.4Å; E164-L168 WeakPolarHBondContact O-CG 3.19Å; E164-L168 PolarHBondContact O-N 2.94Å
165D93.3Very high93.1Very high68 Ų6864.1 Ų64.136%0.36434%0.339SS..Hα-helixtrans-65.7-42.5-175.5-66.317.2000110.9K146 T163 I167 L168 V169K146-D165 WeakPolarHBondContact CE-OD1 3.4Å; K146-D165 VanDerWaalsContact NZ-CG 3.3Å; K146-D165 IonicContact NZ-OD1 3.61Å; K146-D165 PolarHBondContact NZ-OD1 2.64Å; K146-D165 IonicContact NZ-OD2 2.77Å; K146-D165 PolarHBondContact NZ-OD2 2.83Å; T163-D165 VanDerWaalsContact C-N 3.3Å; T163-D165 PolarHBondContact O-N 3.01Å; D165-I167 VanDerWaalsContact C-N 3.32Å; D165-I167 PolarHBondContact O-N 2.9Å; D165-L168 PolarHBondContact O-N 3.3Å; D165-V169 WeakPolarHBondContact O-CB 3.05Å; D165-V169 VanDerWaalsContact O-CG2 3.25Å; D165-V169 WeakPolarHBondContact O-CG2 3.31Å; D165-V169 PolarHBondContact O-N 2.91Å
166E93.8Very high92.4Very high98 Ų9860.5 Ų60.546%0.45831%0.314SS..Hα-helixtrans-61.3-39.1176.1-72.4166.2132.200112.6K162 T163 E164 E170K162-E166 WeakPolarHBondContact CA-OE2 3.43Å; K162-E166 HydrophobicContact CB-CB 4.3Å; T163-E166 WeakPolarHBondContact CB-OE2 3.15Å; T163-E166 WeakPolarHBondContact CG2-OE2 3.24Å; T163-E166 PolarHBondContact N-OE2 2.65Å; T163-E166 VanDerWaalsContact OG1-CG 3.26Å; T163-E166 WeakPolarHBondContact OG1-CG 3.35Å; T163-E166 PolarHBondContact OG1-N 3.47Å; T163-E166 PolarHBondContact OG1-OE2 2.89Å; E164-E166 PolarHBondContact O-N 2.9Å; E166-E170 WeakPolarHBondContact O-CG 3.4Å; E166-E170 PolarHBondContact O-N 2.91Å
167I94.2Very high91.3Very high17 Ų1759.8 Ų59.89%0.08732%0.317CS..Hα-helixtrans-67.3-42.8177.4-68.2163000110.5V151 H154 F157 K162 T163 E164 D165 E170 F171V151-I167 HydrophobicContact CB-CD1 4.36Å; V151-I167 HydrophobicContact CG1-CB 4.31Å; V151-I167 HydrophobicContact CG1-CG2 3.95Å; H154-I167 HydrophobicContact CB-CD1 4.12Å; H154-I167 WeakPolarHBondContact ND1-CD1 3.12Å; F157-I167 HydrophobicContact CB-CD1 3.67Å; F157-I167 HydrophobicContact CD2-CD1 4.39Å; F157-I167 HydrophobicContact CG-CD1 4.48Å; K162-I167 HydrophobicContact CB-CD1 4.13Å; K162-I167 HydrophobicContact CB-CG1 3.83Å; K162-I167 HydrophobicContact CD-CG1 4.36Å; T163-I167 WeakPolarHBondContact O-CD1 3.18Å; T163-I167 WeakPolarHBondContact O-CG1 3.11Å; T163-I167 PolarHBondContact O-N 2.87Å; E164-I167 PolarHBondContact O-N 3.37Å; D165-I167 VanDerWaalsContact C-N 3.32Å; D165-I167 PolarHBondContact O-N 2.9Å; I167-E170 PolarHBondContact O-N 2.87Å; I167-F171 PolarHBondContact O-N 2.96Å; I167-F171 VanDerWaalsContact O-N 3.09Å
168L94Very high90Very high7 Ų765.1 Ų65.14%0.03734%0.343CS..Hα-helixtrans-70-37.9179.5-65.5179.5000111.8I142 L145 K146 V151 E164 D165 F171 L172I142-L168 HydrophobicContact CG2-CB 4.33Å; I142-L168 HydrophobicContact CG2-CD1 4.05Å; L145-L168 HydrophobicContact CB-CD1 4.27Å; L145-L168 HydrophobicContact CB-CD2 4.1Å; L145-L168 HydrophobicContact CD1-CB 4.35Å; L145-L168 HydrophobicContact CD1-CD2 4.39Å; K146-L168 HydrophobicContact CG-CD1 3.52Å; V151-L168 HydrophobicContact CG1-CD2 4.08Å; V151-L168 HydrophobicContact CG1-CG 4.27Å; E164-L168 HydrophobicContact CG-CD1 3.91Å; E164-L168 HydrophobicContact CG-CG 4.4Å; E164-L168 WeakPolarHBondContact O-CG 3.19Å; E164-L168 PolarHBondContact O-N 2.94Å; D165-L168 PolarHBondContact O-N 3.3Å; L168-F171 WeakPolarHBondContact O-CB 3.47Å; L168-F171 PolarHBondContact O-N 3.01Å; L168-L172 WeakPolarHBondContact O-CG 3.5Å; L168-L172 PolarHBondContact O-N 2.83Å
169V91.5Very high88.5Confident16 Ų1665.2 Ų65.210%0.09734%0.344CS..Hα-helixtrans-61.4-45.5172.5167.50000110.7I142 D165 F171 L172 K173 E183I142-V169 HydrophobicContact CD1-CG2 3.38Å; I142-V169 HydrophobicContact CG1-CG2 4.04Å; D165-V169 WeakPolarHBondContact O-CB 3.05Å; D165-V169 VanDerWaalsContact O-CG2 3.25Å; D165-V169 WeakPolarHBondContact O-CG2 3.31Å; D165-V169 PolarHBondContact O-N 2.91Å; V169-F171 PolarHBondContact O-N 2.99Å; V169-L172 PolarHBondContact O-N 2.87Å; V169-L172 VanDerWaalsContact O-N 3.15Å; V169-K173 HydrophobicContact CG1-CD 4.07Å; V169-K173 HydrophobicContact CG1-CG 4.37Å; V169-K173 VanDerWaalsContact O-CG 3.3Å; V169-K173 WeakPolarHBondContact O-CG 3.4Å; V169-K173 PolarHBondContact O-N 3.5Å; V169-E183 HydrophobicContact CG2-CG 4.29Å
170E89.3Confident87.1Confident97 Ų9765.2 Ų65.245%0.45334%0.344SS..Hα-helixtrans-60.1-37.1175.8-79.5-172.1163.600112.7K162 E166 I167 T174K162-E170 IonicContact NZ-OE1 2.64Å; K162-E170 PolarHBondContact NZ-OE1 3.29Å; K162-E170 IonicContact NZ-OE2 3.21Å; K162-E170 PolarHBondContact NZ-OE2 3.32Å; E166-E170 WeakPolarHBondContact O-CG 3.4Å; E166-E170 PolarHBondContact O-N 2.91Å; I167-E170 PolarHBondContact O-N 2.87Å; E170-T174 WeakPolarHBondContact O-CG2 3.4Å
171F91.2Very high86.1Confident71 Ų7164.2 Ų64.231%0.31133%0.33SS..Hα-helixtrans-65.8-44.6173.8178.6-100.2000112M132 L145 Y149 I167 L168 V169 K173 T174 F175M132-F171 HydrophobicContact CE-CE1 3.64Å; M132-F171 HydrophobicContact CE-CZ 4.2Å; L145-F171 HydrophobicContact CD1-CD1 3.65Å; L145-F171 HydrophobicContact CD1-CE1 4.19Å; L145-F171 HydrophobicContact CD2-CD1 4.38Å; L145-F171 HydrophobicContact CD2-CE1 4.1Å; Y149-F171 HydrophobicContact CE2-CE1 4.24Å; Y149-F171 HydrophobicContact CE2-CZ 4.47Å; I167-F171 PolarHBondContact O-N 2.96Å; I167-F171 VanDerWaalsContact O-N 3.09Å; L168-F171 WeakPolarHBondContact O-CB 3.47Å; L168-F171 PolarHBondContact O-N 3.01Å; V169-F171 PolarHBondContact O-N 2.99Å; F171-K173 VanDerWaalsContact C-N 3.33Å; F171-K173 PolarHBondContact O-N 3.22Å; F171-T174 WeakPolarHBondContact O-CB 3.47Å; F171-T174 WeakPolarHBondContact O-CG2 3.32Å; F171-T174 PolarHBondContact O-N 3.01Å; F171-T174 VanDerWaalsContact O-N 3.13Å; F171-T174 PolarHBondContact O-OG1 3.02Å; F171-F175 HydrophobicContact CD1-CE2 4.11Å; F171-F175 AromaticContact CE1-CE2 3.64Å; F171-F175 HydrophobicContact CE1-CE2 3.64Å; F171-F175 HydrophobicContact CE1-CZ 4.09Å; F171-F175 HydrophobicContact CE2-CE2 4.38Å; F171-F175 HydrophobicContact CE2-CZ 4.4Å; F171-F175 AromaticContact CZ-CE2 3.78Å; F171-F175 HydrophobicContact CZ-CE2 3.78Å; F171-F175 AromaticContact CZ-CZ 3.8Å; F171-F175 HydrophobicContact CZ-CZ 3.8Å
172L91.1Very high85.6Confident1 Ų162.7 Ų62.71%0.00533%0.325CS..Hα-helixtrans-59.6-43.3176.3-72.4173.6000112.1I140 I142 L145 L168 V169 T174 F175 V185I140-L172 HydrophobicContact CG2-CD2 3.85Å; I142-L172 HydrophobicContact CG1-CD1 3.84Å; L145-L172 HydrophobicContact CD1-CD1 4.18Å; L145-L172 HydrophobicContact CD1-CD2 3.5Å; L145-L172 HydrophobicContact CD1-CG 3.58Å; L145-L172 HydrophobicContact CG-CD2 4.18Å; L168-L172 WeakPolarHBondContact O-CG 3.5Å; L168-L172 PolarHBondContact O-N 2.83Å; V169-L172 PolarHBondContact O-N 2.87Å; V169-L172 VanDerWaalsContact O-N 3.15Å; L172-T174 PolarHBondContact O-N 2.75Å; L172-F175 WeakPolarHBondContact O-CD2 3.44Å; L172-F175 PolarHBondContact O-N 2.81Å; L172-V185 HydrophobicContact CB-CG2 4Å; L172-V185 HydrophobicContact CD2-CB 4.3Å; L172-V185 HydrophobicContact CD2-CG2 3.66Å; L172-V185 HydrophobicContact CG-CG2 4.42Å; L172-V185 WeakPolarHBondContact O-CG2 3.35Å
173K88Confident85.3Confident103 Ų10366.6 Ų66.645%0.44834%0.344SS..Hα-helixtrans-57-22.1177.4-72.7178.5174.5175.80113.5V169 F171 F175 Q176 A181V169-K173 HydrophobicContact CG1-CD 4.07Å; V169-K173 HydrophobicContact CG1-CG 4.37Å; V169-K173 VanDerWaalsContact O-CG 3.3Å; V169-K173 WeakPolarHBondContact O-CG 3.4Å; V169-K173 PolarHBondContact O-N 3.5Å; F171-K173 VanDerWaalsContact C-N 3.33Å; F171-K173 PolarHBondContact O-N 3.22Å; K173-F175 PolarHBondContact O-N 3.34Å; K173-Q176 PolarHBondContact O-N 3.06Å; K173-A181 HydrophobicContact CG-CB 4.2Å
174T87.8Confident85.2Confident66 Ų6666.7 Ų66.741%0.40534%0.34SS..THydrogen-bonded Turntrans-66.7-22.7176.869.60000113.8E170 F171 L172 Y193E170-T174 WeakPolarHBondContact O-CG2 3.4Å; F171-T174 WeakPolarHBondContact O-CB 3.47Å; F171-T174 WeakPolarHBondContact O-CG2 3.32Å; F171-T174 PolarHBondContact O-N 3.01Å; F171-T174 VanDerWaalsContact O-N 3.13Å; F171-T174 PolarHBondContact O-OG1 3.02Å; L172-T174 PolarHBondContact O-N 2.75Å; T174-Y193 WeakPolarHBondContact O-CD2 3.48Å; T174-Y193 WeakPolarHBondContact O-CE2 3.44Å
175F86.6Confident85.1Confident10 Ų1063.8 Ų63.84%0.04433%0.327CS..THydrogen-bonded Turntrans-90.4-14.5179.4-58.9-76.2000113.3M132 F171 L172 K173 V185 F190 Y193 Y194 Y215M132-F175 HydrophobicContact CE-CE2 4.12Å; M132-F175 HydrophobicContact CE-CZ 4.19Å; F171-F175 HydrophobicContact CD1-CE2 4.11Å; F171-F175 AromaticContact CE1-CE2 3.64Å; F171-F175 HydrophobicContact CE1-CE2 3.64Å; F171-F175 HydrophobicContact CE1-CZ 4.09Å; F171-F175 HydrophobicContact CE2-CE2 4.38Å; F171-F175 HydrophobicContact CE2-CZ 4.4Å; F171-F175 AromaticContact CZ-CE2 3.78Å; F171-F175 HydrophobicContact CZ-CE2 3.78Å; F171-F175 AromaticContact CZ-CZ 3.8Å; F171-F175 HydrophobicContact CZ-CZ 3.8Å; L172-F175 WeakPolarHBondContact O-CD2 3.44Å; L172-F175 PolarHBondContact O-N 2.81Å; K173-F175 PolarHBondContact O-N 3.34Å; F175-V185 HydrophobicContact CB-CG1 3.72Å; F175-V185 HydrophobicContact CB-CG2 3.96Å; F175-V185 HydrophobicContact CD2-CG1 4.48Å; F175-V185 HydrophobicContact CD2-CG2 4.16Å; F175-V185 HydrophobicContact CG-CG1 4.2Å; F175-V185 HydrophobicContact CG-CG2 4.46Å; F175-F190 AromaticContact CD1-CD2 3.75Å; F175-F190 HydrophobicContact CD1-CD2 3.75Å; F175-F190 HydrophobicContact CD1-CE2 4.08Å; F175-F190 AromaticContact CE1-CD2 3.81Å; F175-F190 HydrophobicContact CE1-CD2 3.81Å; F175-F190 AromaticContact CE1-CE2 3.64Å; F175-F190 HydrophobicContact CE1-CE2 3.64Å; F175-F190 HydrophobicContact CG-CD2 4.31Å; F175-F190 HydrophobicContact CZ-CD2 4.43Å; F175-F190 HydrophobicContact CZ-CE2 4.1Å; F175-Y193 AromaticContact CD1-CD1 3.69Å; F175-Y193 HydrophobicContact CD1-CD1 3.69Å; F175-Y193 HydrophobicContact CD1-CE1 4.17Å; F175-Y193 AromaticContact CD1-CG 3.96Å; F175-Y193 HydrophobicContact CD1-CG 3.96Å; F175-Y193 AromaticContact CE1-CD1 3.98Å; F175-Y193 HydrophobicContact CE1-CD1 3.98Å; F175-Y193 HydrophobicContact CE1-CE1 4.1Å; F175-Y194 HydrophobicContact CE1-CE2 4.01Å; F175-Y215 WeakPolarHBondContact CE1-OH 3.18Å; F175-Y215 WeakPolarHBondContact CZ-OH 3.1Å
176Q81.1Confident85.1Confident16 Ų1663.2 Ų63.28%0.07533%0.326CS..SBendtrans-101153.3-171-70.1169.2-1000112K173 A181 D182 I184 V185K173-Q176 PolarHBondContact O-N 3.06Å; Q176-A181 HydrophobicContact CB-CB 4.37Å; Q176-A181 VanDerWaalsContact OE1-C 3.32Å; Q176-D182 PolarHBondContact NE2-O 3.43Å; Q176-D182 PolarHBondContact NE2-OD1 3.25Å; Q176-D182 VanDerWaalsContact OE1-N 3.13Å; Q176-D182 PolarHBondContact OE1-O 3.1Å; Q176-I184 VanDerWaalsContact NE2-C 3.3Å; Q176-I184 PolarHBondContact NE2-O 2.73Å; Q176-V185 HydrophobicContact CG-CG2 4.11Å
177P72.7Confident85Confident57 Ų5764.1 Ų64.137%0.3733%0.325SS..  trans-64.1142.4168.52.27.8000110.9N179 N180P177-N179 WeakPolarHBondContact CB-OD1 3.48Å; P177-N179 PolarHBondContact O-N 3.32Å; P177-N179 VanDerWaalsContact O-N 3.1Å; P177-N180 CarbonylContact O-C 3.57Å; P177-N180 PolarHBondContact O-N 2.65Å
178Q66.4Low84.5Confident187 Ų18767.3 Ų67.387%0.87434%0.34SS*.THydrogen-bonded Turntrans-57.5-30.2-175.8-72.2-175.31.700114
179N65.2Low84.2Confident118 Ų11868 Ų6863%0.63134%0.343SS*.THydrogen-bonded Turntrans-87.2-4.4-177.345.8-11000114.2P177P177-N179 WeakPolarHBondContact CB-OD1 3.48Å; P177-N179 PolarHBondContact O-N 3.32Å; P177-N179 VanDerWaalsContact O-N 3.1Å
180N67.1Low84.2Confident100 Ų10067.2 Ų67.254%0.53534%0.338SS..SBendtrans-144.448.5179-166.249.1000112P177 D182P177-N180 CarbonylContact O-C 3.57Å; P177-N180 PolarHBondContact O-N 2.65Å; N180-D182 PolarHBondContact O-N 3.13Å
181A72.8Confident84.2Confident43 Ų4362.7 Ų62.736%0.35532%0.317SS..  trans-89.795.1-176.300000111.8K173 Q176K173-A181 HydrophobicContact CG-CB 4.2Å; Q176-A181 HydrophobicContact CB-CB 4.37Å; Q176-A181 VanDerWaalsContact OE1-C 3.32Å
182D86.7Confident83.7Confident71 Ų7161.5 Ų61.538%0.3831%0.314SS..  trans-95.5-169.1170.568.712.8000111.4Q176 N180 I184Q176-D182 PolarHBondContact NE2-O 3.43Å; Q176-D182 PolarHBondContact NE2-OD1 3.25Å; Q176-D182 VanDerWaalsContact OE1-N 3.13Å; Q176-D182 PolarHBondContact OE1-O 3.1Å; N180-D182 PolarHBondContact O-N 3.13Å; D182-I184 VanDerWaalsContact C-N 3.33Å; D182-I184 PolarHBondContact OD1-N 3.49Å
183E88.8Confident83.4Confident117 Ų11765.7 Ų65.755%0.54733%0.33SS..SBendtrans-93.714.6179-62.4-177.7174.500113.2V169V169-E183 HydrophobicContact CG2-CG 4.29Å
184I92.7Very high83.4Confident77 Ų7761.5 Ų61.540%0.39531%0.312SS..  trans-128.5114.5-174-56.1179.4000109.7A139 T141 Q176 D182 T186A139-I184 HydrophobicContact CB-CG2 3.64Å; T141-I184 HydrophobicContact CG2-CG1 4.48Å; Q176-I184 VanDerWaalsContact NE2-C 3.3Å; Q176-I184 PolarHBondContact NE2-O 2.73Å; D182-I184 VanDerWaalsContact C-N 3.33Å; D182-I184 PolarHBondContact OD1-N 3.49Å; I184-T186 PolarHBondContact O-N 2.95Å
185V93.7Very high83.1Confident0 Ų059.1 Ų59.10%030%0.297CS..EExtended strand (participates in β ladder)trans-92.2110.9173.3175.30000109.1I140 L172 F175 Q176 E189 F190I140-V185 HydrophobicContact CB-CB 4.2Å; I140-V185 PolarHBondContact N-O 3.27Å; I140-V185 PolarHBondContact O-N 3.32Å; L172-V185 HydrophobicContact CB-CG2 4Å; L172-V185 HydrophobicContact CD2-CB 4.3Å; L172-V185 HydrophobicContact CD2-CG2 3.66Å; L172-V185 HydrophobicContact CG-CG2 4.42Å; L172-V185 WeakPolarHBondContact O-CG2 3.35Å; F175-V185 HydrophobicContact CB-CG1 3.72Å; F175-V185 HydrophobicContact CB-CG2 3.96Å; F175-V185 HydrophobicContact CD2-CG1 4.48Å; F175-V185 HydrophobicContact CD2-CG2 4.16Å; F175-V185 HydrophobicContact CG-CG1 4.2Å; F175-V185 HydrophobicContact CG-CG2 4.46Å; Q176-V185 HydrophobicContact CG-CG2 4.11Å; V185-E189 HydrophobicContact CG1-CB 4.34Å; V185-F190 HydrophobicContact CG1-CB 4.05Å
186T92.4Very high82.5Confident56 Ų5659 Ų5934%0.34430%0.298SS..EExtended strand (participates in β ladder)trans-71.4158.6173.864.90000111.2I184 E188 E189 F190I184-T186 PolarHBondContact O-N 2.95Å; T186-E188 PolarHBondContact O-N 3.41Å; T186-E189 WeakPolarHBondContact CB-OE2 3.39Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.06Å; T186-E189 PolarHBondContact N-OE2 2.91Å; T186-E189 PolarHBondContact O-N 2.74Å; T186-E189 VanDerWaalsContact OG1-CD 3.3Å; T186-E189 VanDerWaalsContact OG1-CG 3.32Å; T186-E189 WeakPolarHBondContact OG1-CG 3.44Å; T186-E189 PolarHBondContact OG1-N 2.98Å; T186-E189 PolarHBondContact OG1-OE2 3.03Å; T186-F190 PolarHBondContact O-N 3.44Å
187R91.3Very high82.6Confident117 Ų11760.2 Ų60.244%0.44231%0.305SS..Hα-helixtrans-56.3-32.9171.1-170.9171.8177-124.34.9112.4N126 F129 F191N126-R187 PolarHBondContact OD1-NH2 2.95Å; F129-R187 HydrophobicContact CD1-CG 4.42Å; F129-R187 HydrophobicContact CD2-CB 4.43Å; F129-R187 HydrophobicContact CD2-CG 4.33Å; F129-R187 HydrophobicContact CE1-CB 4.17Å; F129-R187 HydrophobicContact CE1-CG 4.34Å; F129-R187 HydrophobicContact CE2-CB 3.86Å; F129-R187 HydrophobicContact CE2-CG 4.25Å; F129-R187 HydrophobicContact CG-CG 4.42Å; F129-R187 HydrophobicContact CZ-CB 3.72Å; F129-R187 HydrophobicContact CZ-CG 4.26Å; R187-F191 HydrophobicContact CG-CD2 3.92Å; R187-F191 HydrophobicContact CG-CE2 3.87Å; R187-F191 WeakPolarHBondContact O-CD2 3.36Å; R187-F191 PolarHBondContact O-N 2.72Å
188E85.4Confident83.1Confident84 Ų8457.9 Ų57.939%0.39329%0.29SS..Hα-helixtrans-67.1-49.5178-175.9177.6163.100111.8T186 F190 F191 N192T186-E188 PolarHBondContact O-N 3.41Å; E188-F190 PolarHBondContact O-N 3.43Å; E188-F191 PolarHBondContact O-N 2.87Å; E188-N192 WeakPolarHBondContact O-CB 3.49Å; E188-N192 PolarHBondContact O-N 2.88Å; E188-N192 PolarHBondContact O-ND2 2.83Å
189E86.9Confident83.4Confident21 Ų2151.1 Ų51.110%0.09827%0.266CS..Hα-helixtrans-60.7-45.4179.5-71.6160.9141.100111.6V185 T186 F191 N192 Y193V185-E189 HydrophobicContact CG1-CB 4.34Å; T186-E189 WeakPolarHBondContact CB-OE2 3.39Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.06Å; T186-E189 PolarHBondContact N-OE2 2.91Å; T186-E189 PolarHBondContact O-N 2.74Å; T186-E189 VanDerWaalsContact OG1-CD 3.3Å; T186-E189 VanDerWaalsContact OG1-CG 3.32Å; T186-E189 WeakPolarHBondContact OG1-CG 3.44Å; T186-E189 PolarHBondContact OG1-N 2.98Å; T186-E189 PolarHBondContact OG1-OE2 3.03Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 3.33Å; E189-N192 PolarHBondContact O-N 2.88Å; E189-N192 VanDerWaalsContact O-N 3.17Å; E189-Y193 PolarHBondContact O-N 2.96Å
190F91.4Very high83.9Confident0 Ų049 Ų490%026%0.261CS..Hα-helixtrans-55.9-45.4176.6-172.2-93.3000112L125 A128 F129 M132 I140 F175 V185 T186 E188 Y194 Y215L125-F190 HydrophobicContact CD2-CE1 4.33Å; A128-F190 HydrophobicContact CB-CE1 4.33Å; A128-F190 HydrophobicContact CB-CZ 4.06Å; F129-F190 HydrophobicContact CB-CD1 4.17Å; F129-F190 HydrophobicContact CB-CE1 4.12Å; F129-F190 HydrophobicContact CD2-CB 3.83Å; F129-F190 AromaticContact CD2-CD1 3.87Å; F129-F190 HydrophobicContact CD2-CD1 3.87Å; F129-F190 HydrophobicContact CD2-CD2 4.31Å; F129-F190 AromaticContact CD2-CG 3.74Å; F129-F190 HydrophobicContact CD2-CG 3.74Å; F129-F190 HydrophobicContact CE2-CB 4.11Å; F129-F190 HydrophobicContact CE2-CG 4.44Å; M132-F190 HydrophobicContact CE-CE2 4.48Å; M132-F190 HydrophobicContact SD-CD2 4.39Å; M132-F190 HydrophobicContact SD-CE2 3.5Å; M132-F190 VanDerWaalsContact SD-CE2 3.5Å; M132-F190 HydrophobicContact SD-CZ 4.07Å; I140-F190 HydrophobicContact CD1-CD2 3.99Å; I140-F190 HydrophobicContact CD1-CE2 4.35Å; F175-F190 AromaticContact CD1-CD2 3.75Å; F175-F190 HydrophobicContact CD1-CD2 3.75Å; F175-F190 HydrophobicContact CD1-CE2 4.08Å; F175-F190 AromaticContact CE1-CD2 3.81Å; F175-F190 HydrophobicContact CE1-CD2 3.81Å; F175-F190 AromaticContact CE1-CE2 3.64Å; F175-F190 HydrophobicContact CE1-CE2 3.64Å; F175-F190 HydrophobicContact CG-CD2 4.31Å; F175-F190 HydrophobicContact CZ-CD2 4.43Å; F175-F190 HydrophobicContact CZ-CE2 4.1Å; V185-F190 HydrophobicContact CG1-CB 4.05Å; T186-F190 PolarHBondContact O-N 3.44Å; E188-F190 PolarHBondContact O-N 3.43Å; F190-Y194 HydrophobicContact CD1-CD2 4.05Å; F190-Y194 HydrophobicContact CD1-CE2 4.41Å; F190-Y194 HydrophobicContact CD2-CE2 4.42Å; F190-Y194 AromaticContact CE1-CD2 3.71Å; F190-Y194 HydrophobicContact CE1-CD2 3.71Å; F190-Y194 AromaticContact CE1-CE2 3.78Å; F190-Y194 HydrophobicContact CE1-CE2 3.78Å; F190-Y194 HydrophobicContact CE2-CD2 4.35Å; F190-Y194 AromaticContact CE2-CE2 3.78Å; F190-Y194 HydrophobicContact CE2-CE2 3.78Å; F190-Y194 AromaticContact CZ-CD2 3.88Å; F190-Y194 HydrophobicContact CZ-CD2 3.88Å; F190-Y194 AromaticContact CZ-CE2 3.44Å; F190-Y194 HydrophobicContact CZ-CE2 3.44Å; F190-Y194 VanDerWaalsContact CZ-CE2 3.44Å; F190-Y194 WeakPolarHBondContact O-CD2 3.38Å; F190-Y194 PolarHBondContact O-N 3.25Å; F190-Y215 WeakPolarHBondContact CE2-OH 2.9Å; F190-Y215 HydrophobicContact CZ-CE1 4.49Å; F190-Y215 HydrophobicContact CZ-CE2 4.22Å; F190-Y215 AromaticContact CZ-CZ 3.85Å
191F89.6Confident84.3Confident1 Ų145.2 Ų45.20%0.00424%0.24CC..Hα-helixtrans-75.4-31.9179.9-83.4-107.9000112.7F107 M117 L122 L125 N126 F129 R187 E188 E189 Y194 T195F107-F191 HydrophobicContact CD1-CB 3.78Å; F107-F191 HydrophobicContact CD1-CD1 4.4Å; F107-F191 HydrophobicContact CD1-CG 4.32Å; F107-F191 HydrophobicContact CD2-CB 3.85Å; F107-F191 HydrophobicContact CD2-CD1 4.3Å; F107-F191 HydrophobicContact CE1-CB 3.86Å; F107-F191 AromaticContact CE1-CD1 3.63Å; F107-F191 HydrophobicContact CE1-CD1 3.63Å; F107-F191 HydrophobicContact CE1-CE1 4.4Å; F107-F191 AromaticContact CE1-CG 3.9Å; F107-F191 HydrophobicContact CE1-CG 3.9Å; F107-F191 HydrophobicContact CE2-CB 3.98Å; F107-F191 AromaticContact CE2-CD1 3.55Å; F107-F191 HydrophobicContact CE2-CD1 3.55Å; F107-F191 HydrophobicContact CE2-CG 4.22Å; F107-F191 HydrophobicContact CG-CB 3.78Å; F107-F191 HydrophobicContact CZ-CB 4Å; F107-F191 AromaticContact CZ-CD1 3.17Å; F107-F191 HydrophobicContact CZ-CD1 3.17Å; F107-F191 AromaticContact CZ-CE1 3.89Å; F107-F191 HydrophobicContact CZ-CE1 3.89Å; F107-F191 AromaticContact CZ-CG 3.89Å; F107-F191 HydrophobicContact CZ-CG 3.89Å; M117-F191 HydrophobicContact CE-CD1 4.28Å; L122-F191 HydrophobicContact CD2-CD1 4.3Å; L122-F191 HydrophobicContact CD2-CE1 4.16Å; L125-F191 HydrophobicContact CB-CD1 4.29Å; L125-F191 HydrophobicContact CB-CE1 3.65Å; L125-F191 HydrophobicContact CB-CE2 4.38Å; L125-F191 HydrophobicContact CB-CZ 3.7Å; L125-F191 HydrophobicContact CD1-CD1 4.14Å; L125-F191 HydrophobicContact CD1-CE1 4.22Å; N126-F191 HydrophobicContact CB-CZ 4.5Å; N126-F191 WeakPolarHBondContact OD1-CZ 3.3Å; F129-F191 HydrophobicContact CB-CE2 4.25Å; R187-F191 HydrophobicContact CG-CD2 3.92Å; R187-F191 HydrophobicContact CG-CE2 3.87Å; R187-F191 WeakPolarHBondContact O-CD2 3.36Å; R187-F191 PolarHBondContact O-N 2.72Å; E188-F191 PolarHBondContact O-N 2.87Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 3.33Å; F191-Y194 PolarHBondContact O-N 3.4Å; F191-T195 WeakPolarHBondContact O-CB 3.42Å; F191-T195 PolarHBondContact O-N 3.14Å; F191-T195 PolarHBondContact O-OG1 3.09Å
192N80.5Confident84.5Confident46 Ų4649.7 Ų49.725%0.24626%0.258CS..Hα-helixtrans-64-44.7173.5-82.4-28.7000111.1F107 E188 E189 Y194 T195 G196F107-N192 WeakPolarHBondContact CB-OD1 3.31Å; F107-N192 PolarHBondContact N-OD1 2.8Å; E188-N192 WeakPolarHBondContact O-CB 3.49Å; E188-N192 PolarHBondContact O-N 2.88Å; E188-N192 PolarHBondContact O-ND2 2.83Å; E189-N192 PolarHBondContact O-N 2.88Å; E189-N192 VanDerWaalsContact O-N 3.17Å; N192-Y194 PolarHBondContact O-N 2.93Å; N192-T195 WeakPolarHBondContact O-CB 3.31Å; N192-T195 PolarHBondContact O-N 3.06Å; N192-G196 PolarHBondContact O-N 3.44Å
193Y84.9Confident84.4Confident89 Ų8950.7 Ų50.735%0.34926%0.263SS..Hα-helixtrans-54.3-51.9173.3175.4-98.9000111.4T174 F175 E189 T195 G196 I197T174-Y193 WeakPolarHBondContact O-CD2 3.48Å; T174-Y193 WeakPolarHBondContact O-CE2 3.44Å; F175-Y193 AromaticContact CD1-CD1 3.69Å; F175-Y193 HydrophobicContact CD1-CD1 3.69Å; F175-Y193 HydrophobicContact CD1-CE1 4.17Å; F175-Y193 AromaticContact CD1-CG 3.96Å; F175-Y193 HydrophobicContact CD1-CG 3.96Å; F175-Y193 AromaticContact CE1-CD1 3.98Å; F175-Y193 HydrophobicContact CE1-CD1 3.98Å; F175-Y193 HydrophobicContact CE1-CE1 4.1Å; E189-Y193 PolarHBondContact O-N 2.96Å; Y193-T195 PolarHBondContact O-N 3.35Å; Y193-G196 PolarHBondContact O-N 2.93Å; Y193-G196 VanDerWaalsContact O-N 3.07Å; Y193-I197 HydrophobicContact CD1-CD1 4.07Å; Y193-I197 HydrophobicContact CE1-CD1 3.34Å; Y193-I197 HydrophobicContact CE1-CG1 4.46Å; Y193-I197 PolarHBondContact O-N 3.25Å
194Y87.7Confident84.4Confident16 Ų1647.9 Ų47.96%0.06325%0.252CS..Hα-helixtrans-73.5-22.5-179.8-82.6-65.1000114.9L125 F175 F190 F191 N192 G196 I197 S198 F207 M210 I211 Y215L125-Y194 HydrophobicContact CD1-CG 4.37Å; L125-Y194 HydrophobicContact CD2-CD1 3.9Å; L125-Y194 HydrophobicContact CD2-CD2 3.52Å; L125-Y194 HydrophobicContact CD2-CE2 4.17Å; L125-Y194 HydrophobicContact CD2-CG 3.37Å; F175-Y194 HydrophobicContact CE1-CE2 4.01Å; F190-Y194 HydrophobicContact CD1-CD2 4.05Å; F190-Y194 HydrophobicContact CD1-CE2 4.41Å; F190-Y194 HydrophobicContact CD2-CE2 4.42Å; F190-Y194 AromaticContact CE1-CD2 3.71Å; F190-Y194 HydrophobicContact CE1-CD2 3.71Å; F190-Y194 AromaticContact CE1-CE2 3.78Å; F190-Y194 HydrophobicContact CE1-CE2 3.78Å; F190-Y194 HydrophobicContact CE2-CD2 4.35Å; F190-Y194 AromaticContact CE2-CE2 3.78Å; F190-Y194 HydrophobicContact CE2-CE2 3.78Å; F190-Y194 AromaticContact CZ-CD2 3.88Å; F190-Y194 HydrophobicContact CZ-CD2 3.88Å; F190-Y194 AromaticContact CZ-CE2 3.44Å; F190-Y194 HydrophobicContact CZ-CE2 3.44Å; F190-Y194 VanDerWaalsContact CZ-CE2 3.44Å; F190-Y194 WeakPolarHBondContact O-CD2 3.38Å; F190-Y194 PolarHBondContact O-N 3.25Å; F191-Y194 PolarHBondContact O-N 3.4Å; N192-Y194 PolarHBondContact O-N 2.93Å; Y194-G196 PolarHBondContact O-N 2.85Å; Y194-I197 HydrophobicContact CD1-CB 4.27Å; Y194-I197 HydrophobicContact CD1-CD1 3.92Å; Y194-I197 HydrophobicContact CE1-CD1 3.79Å; Y194-I197 PolarHBondContact O-N 2.89Å; Y194-S198 WeakPolarHBondContact O-CB 3.43Å; Y194-S198 PolarHBondContact O-N 2.91Å; Y194-F207 HydrophobicContact CD1-CZ 4.32Å; Y194-M210 HydrophobicContact CE1-CE 4.28Å; Y194-I211 HydrophobicContact CD1-CD1 3.57Å; Y194-I211 HydrophobicContact CE1-CD1 3.29Å; Y194-I211 HydrophobicContact CG-CD1 4.35Å; Y194-Y215 HydrophobicContact CE2-CE2 4.09Å; Y194-Y215 WeakPolarHBondContact CE2-OH 3.26Å; Y194-Y215 AromaticContact CZ-CE2 3.79Å; Y194-Y215 WeakPolarHBondContact OH-CE2 3.4Å; Y194-Y215 VanDerWaalsContact OH-CZ 3.27Å; Y194-Y215 PolarHBondContact OH-OH 3.13Å
195T81.2Confident84.2Confident16 Ų1647.4 Ų47.410%0.09826%0.26CS..Hα-helixtrans-57.8-37.4168.5-63.40000109.5P116 M117 F191 N192 Y193 A199P116-T195 HydrophobicContact CB-CG2 3.91Å; P116-T195 HydrophobicContact CG-CG2 4.14Å; M117-T195 WeakPolarHBondContact CE-OG1 3.23Å; F191-T195 WeakPolarHBondContact O-CB 3.42Å; F191-T195 PolarHBondContact O-N 3.14Å; F191-T195 PolarHBondContact O-OG1 3.09Å; N192-T195 WeakPolarHBondContact O-CB 3.31Å; N192-T195 PolarHBondContact O-N 3.06Å; Y193-T195 PolarHBondContact O-N 3.35Å; T195-A199 WeakPolarHBondContact O-CB 3.47Å; T195-A199 PolarHBondContact O-N 2.81Å
196G74.4Confident84Confident6 Ų654.3 Ų54.36%0.06229%0.287CS..Hα-helixtrans-67-47.517800000114.4R104 N192 Y193 Y194 A199R104-G196 VanDerWaalsContact NH1-CA 3.35Å; R104-G196 PolarHBondContact NH2-O 3.15Å; N192-G196 PolarHBondContact O-N 3.44Å; Y193-G196 PolarHBondContact O-N 2.93Å; Y193-G196 VanDerWaalsContact O-N 3.07Å; Y194-G196 PolarHBondContact O-N 2.85Å; G196-A199 PolarHBondContact O-N 2.67Å
197I82.7Confident84.1Confident43 Ų4351.6 Ų51.622%0.22127%0.27CS..Hα-helixtrans-66.3-40.2176.4-64.2176.1000111Y193 Y194 A199 S200 I201 F207 M210Y193-I197 HydrophobicContact CD1-CD1 4.07Å; Y193-I197 HydrophobicContact CE1-CD1 3.34Å; Y193-I197 HydrophobicContact CE1-CG1 4.46Å; Y193-I197 PolarHBondContact O-N 3.25Å; Y194-I197 HydrophobicContact CD1-CB 4.27Å; Y194-I197 HydrophobicContact CD1-CD1 3.92Å; Y194-I197 HydrophobicContact CE1-CD1 3.79Å; Y194-I197 PolarHBondContact O-N 2.89Å; I197-A199 VanDerWaalsContact C-N 3.28Å; I197-A199 PolarHBondContact O-N 2.55Å; I197-S200 PolarHBondContact O-N 3.26Å; I197-S200 VanDerWaalsContact O-N 3.12Å; I197-S200 PolarHBondContact O-OG 2.73Å; I197-I201 HydrophobicContact CG2-CD1 3.88Å; I197-F207 HydrophobicContact CG2-CE2 4.38Å; I197-M210 HydrophobicContact CG2-CE 4Å; I197-M210 HydrophobicContact CG2-SD 4.17Å
198S83.9Confident84.3Confident8 Ų847.6 Ų47.66%0.05626%0.257CS..Hα-helixtrans-60.3-40.4177.8175.40000111.2M117 R121 Y194 S200 I201 F207M117-S198 WeakPolarHBondContact CG-OG 3.23Å; M117-S198 WeakPolarHBondContact SD-CB 3.24Å; M117-S198 PolarHBondContact SD-OG 3.33Å; R121-S198 WeakPolarHBondContact CD-OG 3.49Å; R121-S198 PolarHBondContact NH1-O 3.32Å; R121-S198 PolarHBondContact NH1-OG 3.47Å; Y194-S198 WeakPolarHBondContact O-CB 3.43Å; Y194-S198 PolarHBondContact O-N 2.91Å; S198-S200 PolarHBondContact O-N 3.23Å; S198-S200 VanDerWaalsContact O-N 3.16Å; S198-I201 PolarHBondContact O-N 3.01Å; S198-I201 VanDerWaalsContact O-O 3.12Å; S198-F207 VanDerWaalsContact CA-CE2 3.5Å
199A73Confident84.7Confident44 Ų4447.7 Ų47.736%0.36426%0.26SS..THydrogen-bonded Turntrans-65.9-14.3179.300000114T195 G196 I197T195-A199 WeakPolarHBondContact O-CB 3.47Å; T195-A199 PolarHBondContact O-N 2.81Å; G196-A199 PolarHBondContact O-N 2.67Å; I197-A199 VanDerWaalsContact C-N 3.28Å; I197-A199 PolarHBondContact O-N 2.55Å
200S74.7Confident85.1Confident75 Ų7549.1 Ų49.152%0.52427%0.268SS..THydrogen-bonded Turntrans-1014.8173.659.70000113.7I197 S198I197-S200 PolarHBondContact O-N 3.26Å; I197-S200 VanDerWaalsContact O-N 3.12Å; I197-S200 PolarHBondContact O-OG 2.73Å; S198-S200 PolarHBondContact O-N 3.23Å; S198-S200 VanDerWaalsContact O-N 3.16Å
201I76.3Confident85.3Confident20 Ų2049.1 Ų49.110%0.10327%0.268CS..  trans-121.5114.9-178.6-67.9172.1000109.3R121 I197 S198 N203 Y206 F207 M210R121-I201 VanDerWaalsContact CZ-O 3.28Å; R121-I201 PolarHBondContact NH1-O 3.43Å; R121-I201 PolarHBondContact NH2-O 3.5Å; I197-I201 HydrophobicContact CG2-CD1 3.88Å; S198-I201 PolarHBondContact O-N 3.01Å; S198-I201 VanDerWaalsContact O-O 3.12Å; I201-N203 WeakPolarHBondContact CG2-O 3.43Å; I201-Y206 HydrophobicContact CD1-CD1 4.36Å; I201-Y206 HydrophobicContact CD1-CE1 4.26Å; I201-Y206 HydrophobicContact CG1-CD1 4.43Å; I201-Y206 HydrophobicContact CG1-CE1 4.44Å; I201-Y206 HydrophobicContact CG2-CD1 3.71Å; I201-F207 HydrophobicContact CB-CD2 4.32Å; I201-F207 HydrophobicContact CD1-CD2 3.85Å; I201-F207 HydrophobicContact CG2-CB 3.89Å; I201-F207 HydrophobicContact CG2-CD2 4.42Å; I201-M210 HydrophobicContact CD1-CE 4.43Å; I201-M210 HydrophobicContact CD1-SD 3.71Å
202D76.6Confident85.7Confident136 Ų13652.4 Ų52.473%0.72728%0.28SS*.  trans-77.2-28.2-174.5-61.1-23.6000113.3
203N83.6Confident86.4Confident92 Ų9255.8 Ų55.849%0.49229%0.294SS..  trans-108.2123.2-172-173.4-47.4000112.2I201 A205 Y206 F207I201-N203 WeakPolarHBondContact CG2-O 3.43Å; N203-A205 PolarHBondContact O-N 3.48Å; N203-A205 WeakPolarHBondContact OD1-CA 3.3Å; N203-A205 WeakPolarHBondContact OD1-CB 3.17Å; N203-A205 PolarHBondContact OD1-N 3.44Å; N203-Y206 PolarHBondContact O-N 3.28Å; N203-Y206 PolarHBondContact OD1-N 3.36Å; N203-F207 PolarHBondContact O-N 3.44Å
204D88.8Confident86.8Confident58 Ų5854.3 Ų54.331%0.3130%0.301SS..Hα-helixtrans-61.5-38.8179.5-78.110.8000113.8S118 R121 Y206 F207 D208S118-D204 WeakPolarHBondContact CB-OD2 3.43Å; S118-D204 PolarHBondContact OG-OD2 3.23Å; R121-D204 IonicContact CZ-OD1 2.64Å; R121-D204 IonicContact NE-OD1 2.55Å; R121-D204 PolarHBondContact NE-OD1 2.99Å; R121-D204 IonicContact NH2-OD1 2.67Å; R121-D204 PolarHBondContact NH2-OD1 3.23Å; D204-Y206 VanDerWaalsContact C-N 3.35Å; D204-F207 PolarHBondContact O-N 2.96Å; D204-D208 WeakPolarHBondContact O-CB 3.42Å; D204-D208 PolarHBondContact O-N 2.9Å
205A89.8Confident87.1Confident68 Ų6854 Ų5456%0.56230%0.3SS*.Hα-helixtrans-68.6-36.5178.500000111.5N203 L209N203-A205 PolarHBondContact O-N 3.48Å; N203-A205 WeakPolarHBondContact OD1-CA 3.3Å; N203-A205 WeakPolarHBondContact OD1-CB 3.17Å; N203-A205 PolarHBondContact OD1-N 3.44Å; A205-L209 VanDerWaalsContact O-CB 3.3Å; A205-L209 WeakPolarHBondContact O-CB 3.28Å; A205-L209 PolarHBondContact O-N 2.8Å
206Y89.8Confident87.6Confident144 Ų14461.3 Ų61.357%0.56533%0.33SS*.Hα-helixtrans-67.3-43.2173.5-178.5-103.5000111.3I201 N203 D204 L209 M210I201-Y206 HydrophobicContact CD1-CD1 4.36Å; I201-Y206 HydrophobicContact CD1-CE1 4.26Å; I201-Y206 HydrophobicContact CG1-CD1 4.43Å; I201-Y206 HydrophobicContact CG1-CE1 4.44Å; I201-Y206 HydrophobicContact CG2-CD1 3.71Å; N203-Y206 PolarHBondContact O-N 3.28Å; N203-Y206 PolarHBondContact OD1-N 3.36Å; D204-Y206 VanDerWaalsContact C-N 3.35Å; Y206-L209 PolarHBondContact O-N 3.46Å; Y206-M210 WeakPolarHBondContact O-CB 3.49Å; Y206-M210 PolarHBondContact O-N 3.3Å
207F93Very high88.5Confident0 Ų064.3 Ų64.30%034%0.344CS..Hα-helixtrans-59.4-48.3174.3-173.7-87.8000111.7M117 R121 V124 L125 Y194 I197 S198 I201 N203 D204 L209 M210 I211M117-F207 HydrophobicContact SD-CZ 4.37Å; R121-F207 HydrophobicContact CB-CD1 3.85Å; R121-F207 HydrophobicContact CB-CE1 3.84Å; R121-F207 HydrophobicContact CG-CB 4.3Å; R121-F207 HydrophobicContact CG-CD1 3.49Å; R121-F207 VanDerWaalsContact CG-CD1 3.49Å; R121-F207 HydrophobicContact CG-CE1 3.98Å; R121-F207 HydrophobicContact CG-CG 3.98Å; V124-F207 HydrophobicContact CG1-CD1 4.19Å; V124-F207 HydrophobicContact CG1-CE1 4.09Å; L125-F207 HydrophobicContact CD1-CE1 4.26Å; L125-F207 HydrophobicContact CD1-CZ 4.13Å; L125-F207 HydrophobicContact CD2-CE1 4.18Å; L125-F207 HydrophobicContact CD2-CZ 4.07Å; L125-F207 HydrophobicContact CG-CE1 4.04Å; L125-F207 HydrophobicContact CG-CZ 4.21Å; Y194-F207 HydrophobicContact CD1-CZ 4.32Å; I197-F207 HydrophobicContact CG2-CE2 4.38Å; S198-F207 VanDerWaalsContact CA-CE2 3.5Å; I201-F207 HydrophobicContact CB-CD2 4.32Å; I201-F207 HydrophobicContact CD1-CD2 3.85Å; I201-F207 HydrophobicContact CG2-CB 3.89Å; I201-F207 HydrophobicContact CG2-CD2 4.42Å; N203-F207 PolarHBondContact O-N 3.44Å; D204-F207 PolarHBondContact O-N 2.96Å; F207-L209 PolarHBondContact O-N 2.92Å; F207-M210 HydrophobicContact CD2-CE 4.47Å; F207-M210 HydrophobicContact CE2-CE 4.33Å; F207-M210 PolarHBondContact O-N 3.37Å; F207-I211 HydrophobicContact CD1-CG1 3.95Å; F207-I211 HydrophobicContact CE1-CD1 4.15Å; F207-I211 HydrophobicContact CE1-CG1 3.56Å; F207-I211 HydrophobicContact CZ-CD1 3.96Å; F207-I211 HydrophobicContact CZ-CG1 3.9Å; F207-I211 WeakPolarHBondContact O-CG1 3.4Å; F207-I211 PolarHBondContact O-N 2.98Å
208D95.5Very high88.8Confident32 Ų3265.4 Ų65.417%0.17135%0.35CS..Hα-helixtrans-58.3-48.5177.5-179.1-104.2000111.5V124 D204 M210 I211 R212V124-D208 VanDerWaalsContact CB-OD2 3.26Å; V124-D208 WeakPolarHBondContact CB-OD2 3.34Å; V124-D208 VanDerWaalsContact CG2-OD2 3.23Å; V124-D208 WeakPolarHBondContact CG2-OD2 3.25Å; D204-D208 WeakPolarHBondContact O-CB 3.42Å; D204-D208 PolarHBondContact O-N 2.9Å; D208-M210 VanDerWaalsContact C-N 3.34Å; D208-M210 PolarHBondContact O-N 3.26Å; D208-I211 PolarHBondContact O-N 3.39Å; D208-R212 VanDerWaalsContact CG-NE 3.33Å; D208-R212 WeakPolarHBondContact O-CB 3.11Å; D208-R212 VanDerWaalsContact O-CG 3.22Å; D208-R212 WeakPolarHBondContact O-CG 3.18Å; D208-R212 PolarHBondContact O-N 3.01Å; D208-R212 WeakPolarHBondContact OD1-CD 3.36Å; D208-R212 IonicContact OD1-CZ 2.84Å; D208-R212 IonicContact OD1-NE 3.78Å; D208-R212 PolarHBondContact OD1-NE 2.64Å; D208-R212 IonicContact OD1-NH2 3.91Å; D208-R212 IonicContact OD2-CZ 3.2Å; D208-R212 IonicContact OD2-NE 3.8Å; D208-R212 PolarHBondContact OD2-NE 3.48Å; D208-R212 IonicContact OD2-NH2 2.72Å
209L93.9Very high89Confident87 Ų8768.4 Ų68.446%0.45537%0.365SS..Hα-helixtrans-59.4-44176.8-178.363.1000112A205 Y206 F207 R212 Q213A205-L209 VanDerWaalsContact O-CB 3.3Å; A205-L209 WeakPolarHBondContact O-CB 3.28Å; A205-L209 PolarHBondContact O-N 2.8Å; Y206-L209 PolarHBondContact O-N 3.46Å; F207-L209 PolarHBondContact O-N 2.92Å; L209-R212 PolarHBondContact O-N 3.17Å; L209-Q213 HydrophobicContact CD1-CG 4.24Å; L209-Q213 WeakPolarHBondContact O-CB 3.39Å; L209-Q213 WeakPolarHBondContact O-CG 3.34Å; L209-Q213 PolarHBondContact O-N 3.05Å
210M95.3Very high89.9Confident50 Ų5069.8 Ų69.825%0.24637%0.365CS..Hα-helixtrans-60.4-48.9178.8-176.8-151.174.600111.1Y194 I197 I201 Y206 F207 D208 R212 Q213 A214Y194-M210 HydrophobicContact CE1-CE 4.28Å; I197-M210 HydrophobicContact CG2-CE 4Å; I197-M210 HydrophobicContact CG2-SD 4.17Å; I201-M210 HydrophobicContact CD1-CE 4.43Å; I201-M210 HydrophobicContact CD1-SD 3.71Å; Y206-M210 WeakPolarHBondContact O-CB 3.49Å; Y206-M210 PolarHBondContact O-N 3.3Å; F207-M210 HydrophobicContact CD2-CE 4.47Å; F207-M210 HydrophobicContact CE2-CE 4.33Å; F207-M210 PolarHBondContact O-N 3.37Å; D208-M210 VanDerWaalsContact C-N 3.34Å; D208-M210 PolarHBondContact O-N 3.26Å; M210-R212 PolarHBondContact O-N 2.85Å; M210-Q213 PolarHBondContact O-N 2.77Å; M210-A214 WeakPolarHBondContact O-CB 3.41Å; M210-A214 PolarHBondContact O-N 3.45Å
211I96.8Very high90.8Very high0 Ų069.5 Ų69.50%036%0.356CS..Hα-helixtrans-62.5-44.2178.5-62.7-63000110.7V124 L125 A128 Y194 F207 D208 Q213 A214 Y215 I217V124-I211 HydrophobicContact CB-CG2 4.42Å; V124-I211 HydrophobicContact CG1-CB 4.08Å; V124-I211 HydrophobicContact CG1-CG1 4.14Å; V124-I211 HydrophobicContact CG1-CG2 4.14Å; V124-I211 HydrophobicContact CG2-CB 3.89Å; V124-I211 HydrophobicContact CG2-CG2 3.68Å; L125-I211 HydrophobicContact CD2-CD1 3.66Å; L125-I211 HydrophobicContact CD2-CG1 4.06Å; L125-I211 HydrophobicContact CD2-CG2 4.39Å; A128-I211 HydrophobicContact CB-CG2 3.85Å; Y194-I211 HydrophobicContact CD1-CD1 3.57Å; Y194-I211 HydrophobicContact CE1-CD1 3.29Å; Y194-I211 HydrophobicContact CG-CD1 4.35Å; F207-I211 HydrophobicContact CD1-CG1 3.95Å; F207-I211 HydrophobicContact CE1-CD1 4.15Å; F207-I211 HydrophobicContact CE1-CG1 3.56Å; F207-I211 HydrophobicContact CZ-CD1 3.96Å; F207-I211 HydrophobicContact CZ-CG1 3.9Å; F207-I211 WeakPolarHBondContact O-CG1 3.4Å; F207-I211 PolarHBondContact O-N 2.98Å; D208-I211 PolarHBondContact O-N 3.39Å; I211-Q213 VanDerWaalsContact C-N 3.34Å; I211-Q213 PolarHBondContact O-N 2.76Å; I211-A214 PolarHBondContact O-N 2.86Å; I211-Y215 HydrophobicContact CG2-CD2 3.88Å; I211-Y215 HydrophobicContact CG2-CE2 4.38Å; I211-Y215 WeakPolarHBondContact O-CD2 3.43Å; I211-Y215 PolarHBondContact O-N 3.08Å; I211-I217 HydrophobicContact CG2-CD1 4.39Å
212R97.1Very high91.7Very high70 Ų7072.6 Ų72.626%0.26437%0.372SS..Hα-helixtrans-60.4-41.7177.4-72.4174.6178.4-79.94.6113.1V124 D208 L209 M210 K216 I217V124-R212 HydrophobicContact CG2-CG 3.93Å; D208-R212 VanDerWaalsContact CG-NE 3.33Å; D208-R212 WeakPolarHBondContact O-CB 3.11Å; D208-R212 VanDerWaalsContact O-CG 3.22Å; D208-R212 WeakPolarHBondContact O-CG 3.18Å; D208-R212 PolarHBondContact O-N 3.01Å; D208-R212 WeakPolarHBondContact OD1-CD 3.36Å; D208-R212 IonicContact OD1-CZ 2.84Å; D208-R212 IonicContact OD1-NE 3.78Å; D208-R212 PolarHBondContact OD1-NE 2.64Å; D208-R212 IonicContact OD1-NH2 3.91Å; D208-R212 IonicContact OD2-CZ 3.2Å; D208-R212 IonicContact OD2-NE 3.8Å; D208-R212 PolarHBondContact OD2-NE 3.48Å; D208-R212 IonicContact OD2-NH2 2.72Å; L209-R212 PolarHBondContact O-N 3.17Å; M210-R212 PolarHBondContact O-N 2.85Å; R212-K216 WeakPolarHBondContact O-CA 3.39Å; R212-K216 PolarHBondContact O-N 3.45Å; R212-I217 HydrophobicContact CB-CG1 4.43Å; R212-I217 VanDerWaalsContact CB-O 3.29Å; R212-I217 WeakPolarHBondContact CB-O 3.48Å; R212-I217 HydrophobicContact CG-CG1 4.13Å; R212-I217 VanDerWaalsContact CG-O 3.3Å; R212-I217 WeakPolarHBondContact CG-O 3.49Å; R212-I217 PolarHBondContact NH1-O 2.9Å; R212-I217 PolarHBondContact NH1-OXT 3.41Å; R212-I217 PolarHBondContact O-N 3.21Å
213Q94.7Very high92.7Very high118 Ų11868.3 Ų68.355%0.55135%0.348SS*.Hα-helixtrans-69.2-37.3177.6-75-176.2-100112.6L209 M210 I211 K216L209-Q213 HydrophobicContact CD1-CG 4.24Å; L209-Q213 WeakPolarHBondContact O-CB 3.39Å; L209-Q213 WeakPolarHBondContact O-CG 3.34Å; L209-Q213 PolarHBondContact O-N 3.05Å; M210-Q213 PolarHBondContact O-N 2.77Å; I211-Q213 VanDerWaalsContact C-N 3.34Å; I211-Q213 PolarHBondContact O-N 2.76Å; Q213-K216 WeakPolarHBondContact O-CD 3.46Å; Q213-K216 WeakPolarHBondContact O-CE 3.42Å; Q213-K216 PolarHBondContact O-NZ 3.41Å
214A93.6Very high93.4Very high58 Ų5866.6 Ų66.648%0.47934%0.338SS..Hα-helixtrans-66.8-45.1178.500000111.8M210 I211M210-A214 WeakPolarHBondContact O-CB 3.41Å; M210-A214 PolarHBondContact O-N 3.45Å; I211-A214 PolarHBondContact O-N 2.86Å
215Y94.5Very high93.7Very high10 Ų1067.3 Ų67.34%0.03934%0.34CS..Hα-helixtrans-100.3-3-174.7-67.4-74.3000115.2A128 M132 F175 F190 Y194 I211A128-Y215 HydrophobicContact CB-CD1 4.34Å; A128-Y215 HydrophobicContact CB-CD2 3.47Å; A128-Y215 VanDerWaalsContact CB-CD2 3.47Å; A128-Y215 HydrophobicContact CB-CE2 3.85Å; A128-Y215 HydrophobicContact CB-CG 3.72Å; M132-Y215 HydrophobicContact CE-CE1 4.27Å; M132-Y215 HydrophobicContact CG-CD1 4.15Å; M132-Y215 HydrophobicContact CG-CE1 4.05Å; M132-Y215 HydrophobicContact SD-CD1 3.93Å; M132-Y215 HydrophobicContact SD-CE1 3.24Å; M132-Y215 WeakPolarHBondContact SD-CE1 3.44Å; F175-Y215 WeakPolarHBondContact CE1-OH 3.18Å; F175-Y215 WeakPolarHBondContact CZ-OH 3.1Å; F190-Y215 WeakPolarHBondContact CE2-OH 2.9Å; F190-Y215 HydrophobicContact CZ-CE1 4.49Å; F190-Y215 HydrophobicContact CZ-CE2 4.22Å; F190-Y215 AromaticContact CZ-CZ 3.85Å; Y194-Y215 HydrophobicContact CE2-CE2 4.09Å; Y194-Y215 WeakPolarHBondContact CE2-OH 3.26Å; Y194-Y215 AromaticContact CZ-CE2 3.79Å; Y194-Y215 WeakPolarHBondContact OH-CE2 3.4Å; Y194-Y215 VanDerWaalsContact OH-CZ 3.27Å; Y194-Y215 PolarHBondContact OH-OH 3.13Å; I211-Y215 HydrophobicContact CG2-CD2 3.88Å; I211-Y215 HydrophobicContact CG2-CE2 4.38Å; I211-Y215 WeakPolarHBondContact O-CD2 3.43Å; I211-Y215 PolarHBondContact O-N 3.08Å
216K92.4Very high94.1Very high169 Ų16967.3 Ų67.374%0.73532%0.322SS*.THydrogen-bonded Turntrans55.354.8-177.2-52.3-59-179-157.10112R212 Q213R212-K216 WeakPolarHBondContact O-CA 3.39Å; R212-K216 PolarHBondContact O-N 3.45Å; Q213-K216 WeakPolarHBondContact O-CD 3.46Å; Q213-K216 WeakPolarHBondContact O-CE 3.42Å; Q213-K216 PolarHBondContact O-NZ 3.41Å
217I92.2Very high94.5Very high69 Ų6960.3 Ų60.335%0.35430%0.3SS..  trans-125.40-17959.3164000114.1V124 K127 A128 K131 I211 R212V124-I217 HydrophobicContact CG2-CD1 4.08Å; K127-I217 HydrophobicContact CB-CD1 3.54Å; A128-I217 HydrophobicContact CB-CD1 4.12Å; K131-I217 HydrophobicContact CB-CG2 3.92Å; K131-I217 HydrophobicContact CD-CG2 4.39Å; K131-I217 HydrophobicContact CG-CG2 3.9Å; I211-I217 HydrophobicContact CG2-CD1 4.39Å; R212-I217 HydrophobicContact CB-CG1 4.43Å; R212-I217 VanDerWaalsContact CB-O 3.29Å; R212-I217 WeakPolarHBondContact CB-O 3.48Å; R212-I217 HydrophobicContact CG-CG1 4.13Å; R212-I217 VanDerWaalsContact CG-O 3.3Å; R212-I217 WeakPolarHBondContact CG-O 3.49Å; R212-I217 PolarHBondContact NH1-O 2.9Å; R212-I217 PolarHBondContact NH1-OXT 3.41Å; R212-I217 PolarHBondContact O-N 3.21Å

Retrieved 217 of 217 residues in 336.1 ms (Link to these results)

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