A0A077ZIC4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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
1M36.6Very low57.2Low241 Ų241130.6 Ų130.6100%1.18763%0.631SS**  0115.10-64.9-169.5-135.500108.4E3M1-E3 PolarHBondContact O-N 3.26Å; M1-E3 VanDerWaalsContact O-N 3.14Å
2A38.8Very low59.6Low106 Ų106128.4 Ų128.488%0.87661%0.611SS**  trans-75.998.3175.200000108.9C4A2-C4 VanDerWaalsContact C-N 3.3Å; A2-C4 PolarHBondContact O-N 3.45Å
3E39.7Very low61.7Low173 Ų173118.6 Ų118.681%0.80857%0.565SS**  trans-61.298.1164.8-96.5-170.4151.300107.8M1 R5M1-E3 PolarHBondContact O-N 3.26Å; M1-E3 VanDerWaalsContact O-N 3.14Å; E3-R5 VanDerWaalsContact C-N 3.28Å; E3-R5 PolarHBondContact O-N 2.92Å
4C35.8Very low63.9Low75 Ų75111.3 Ų111.351%0.50753%0.532SS..  trans-64.694.3172-175.10000107.6A2 I6 Y200A2-C4 VanDerWaalsContact C-N 3.3Å; A2-C4 PolarHBondContact O-N 3.45Å; C4-I6 PolarHBondContact O-N 3.17Å; C4-Y200 HydrophobicContact CB-CE2 4.39Å
5R51.5Low65.8Low173 Ų173113.1 Ų113.165%0.65354%0.536SS*.  trans-6383.4175.6-69.4-178.6178.3-172.9-4.9109.1E3 K7 E53E3-R5 VanDerWaalsContact C-N 3.28Å; E3-R5 PolarHBondContact O-N 2.92Å; R5-K7 PolarHBondContact O-N 3.33Å; R5-E53 IonicContact CZ-OE1 2.72Å; R5-E53 IonicContact NH1-OE1 3.83Å; R5-E53 PolarHBondContact NH1-OE1 2.75Å; R5-E53 IonicContact NH2-OE1 3.93Å; R5-E53 IonicContact NH2-OE2 2.62Å
6I53.2Low67.4Low74 Ų74107.9 Ų107.938%0.37951%0.514SS..  trans-57.9109.2166.1-63.5174.5000105.3C4 R8 A196 Y200C4-I6 PolarHBondContact O-N 3.17Å; I6-R8 VanDerWaalsContact C-N 3.31Å; I6-R8 WeakPolarHBondContact O-CG 3.32Å; I6-R8 PolarHBondContact O-N 3.41Å; I6-A196 HydrophobicContact CG2-CB 3.95Å; I6-Y200 HydrophobicContact CD1-CD2 4.02Å; I6-Y200 HydrophobicContact CD1-CE2 4.28Å; I6-Y200 HydrophobicContact CD1-CG 4.48Å; I6-Y200 HydrophobicContact CG1-CD2 4.47Å
7K61.8Low68.9Low175 Ų175101.6 Ų101.676%0.76148%0.484SS*.  trans-59.198172.9-72.3-172.4177.6-176.80107.7R5 N9R5-K7 PolarHBondContact O-N 3.33Å; K7-N9 VanDerWaalsContact C-N 3.32Å
8R68.1Low70.3Confident108 Ų108102.2 Ų102.241%0.40848%0.481SS..SBendtrans-67.6-38.7-174.9-68.1-178.6-176.2167.31109.9I6 S10 D56 R57 M59I6-R8 VanDerWaalsContact C-N 3.31Å; I6-R8 WeakPolarHBondContact O-CG 3.32Å; I6-R8 PolarHBondContact O-N 3.41Å; R8-S10 PolarHBondContact O-N 3.02Å; R8-D56 WeakPolarHBondContact CD-O 3.44Å; R8-D56 PolarHBondContact NH1-O 2.97Å; R8-R57 PolarHBondContact NH1-O 3.4Å; R8-M59 HydrophobicContact CB-CB 3.88Å; R8-M59 HydrophobicContact CB-CG 4.13Å
9N77.7Confident71.5Confident31 Ų31103.9 Ų103.917%0.16649%0.486CS..SBendtrans-89.795.4172.9-165.626.5000111.2K7 V14 D56 M59 Y73K7-N9 VanDerWaalsContact C-N 3.32Å; N9-V14 VanDerWaalsContact OD1-CG2 3.32Å; N9-V14 WeakPolarHBondContact OD1-CG2 3.41Å; N9-D56 WeakPolarHBondContact CB-OD1 3.48Å; N9-M59 HydrophobicContact CB-CE 4.12Å; N9-M59 HydrophobicContact CB-SD 4.28Å; N9-Y73 HydrophobicContact CB-CD1 4.16Å; N9-Y73 HydrophobicContact CB-CE1 3.59Å; N9-Y73 VanDerWaalsContact ND2-CD1 3.31Å; N9-Y73 WeakPolarHBondContact ND2-CD1 3.36Å; N9-Y73 WeakPolarHBondContact ND2-CE1 3.5Å; N9-Y73 VanDerWaalsContact ND2-CZ 3.26Å; N9-Y73 PolarHBondContact ND2-O 3.42Å
10S81.2Confident72.5Confident43 Ų4399 Ų9930%0.30146%0.463SS..  trans-96152175.870.90000111.5R8 R12 A13 V14R8-S10 PolarHBondContact O-N 3.02Å; S10-R12 PolarHBondContact O-N 2.64Å; S10-A13 WeakPolarHBondContact O-CA 3.44Å; S10-A13 WeakPolarHBondContact O-CB 3.33Å; S10-A13 PolarHBondContact O-N 3.18Å; S10-A13 WeakPolarHBondContact OG-CB 3.3Å; S10-A13 PolarHBondContact OG-N 3.14Å; S10-V14 PolarHBondContact O-N 3.32Å
11R85.3Confident73.5Confident238 Ų23895.5 Ų95.590%0.89845%0.452SS*.Hα-helixtrans-51.3-32.6170.7-69.8-176179.7177.5-0112.1K15R11-K15 WeakPolarHBondContact O-CB 3.39Å; R11-K15 PolarHBondContact O-N 3Å
12R85.2Confident76.2Confident104 Ų10490.3 Ų90.339%0.39243%0.429SS..Hα-helixtrans-67.1-48.2174.3-176.5-176.4179.2-176.42.3111.6S10 V14 K15 V16 K195S10-R12 PolarHBondContact O-N 2.64Å; R12-V14 VanDerWaalsContact C-N 3.33Å; R12-V14 PolarHBondContact O-N 3.24Å; R12-K15 PolarHBondContact O-N 3.19Å; R12-V16 HydrophobicContact CG-CG2 4.21Å; R12-V16 WeakPolarHBondContact O-CB 3.49Å; R12-V16 VanDerWaalsContact O-CG2 3.27Å; R12-V16 WeakPolarHBondContact O-CG2 3.43Å; R12-V16 PolarHBondContact O-N 2.87Å; R12-K195 VanDerWaalsContact NH1-CG 3.31Å
13A87.8Confident78.6Confident1 Ų187.8 Ų87.81%0.00840%0.4CS..Hα-helixtrans-56.8-48.1177.800000110.4S10 K15 V16 S17 A72 I192S10-A13 WeakPolarHBondContact O-CA 3.44Å; S10-A13 WeakPolarHBondContact O-CB 3.33Å; S10-A13 PolarHBondContact O-N 3.18Å; S10-A13 WeakPolarHBondContact OG-CB 3.3Å; S10-A13 PolarHBondContact OG-N 3.14Å; A13-K15 PolarHBondContact O-N 3.31Å; A13-V16 PolarHBondContact O-N 3.06Å; A13-S17 WeakPolarHBondContact O-CB 3.45Å; A13-S17 PolarHBondContact O-N 2.62Å; A13-S17 PolarHBondContact O-OG 3.15Å; A13-A72 HydrophobicContact CB-CB 4.46Å; A13-I192 HydrophobicContact CB-CG2 3.82Å
14V91.9Very high80.7Confident16 Ų1684.4 Ų84.410%0.09739%0.393CS..Hα-helixtrans-58.3-48.3175.3179.80000111.9N9 S10 R12 V16 R18 A72 Y73 D74 Y101N9-V14 VanDerWaalsContact OD1-CG2 3.32Å; N9-V14 WeakPolarHBondContact OD1-CG2 3.41Å; S10-V14 PolarHBondContact O-N 3.32Å; R12-V14 VanDerWaalsContact C-N 3.33Å; R12-V14 PolarHBondContact O-N 3.24Å; V14-V16 VanDerWaalsContact C-N 3.33Å; V14-V16 PolarHBondContact O-N 3.31Å; V14-R18 WeakPolarHBondContact O-CB 3.3Å; V14-R18 PolarHBondContact O-N 3.04Å; V14-A72 HydrophobicContact CG2-CB 4.17Å; V14-Y73 WeakPolarHBondContact CG2-O 3.25Å; V14-D74 HydrophobicContact CG1-CB 3.93Å; V14-Y101 HydrophobicContact CG1-CE2 4.18Å
15K92.2Very high83Confident138 Ų13884.7 Ų84.760%0.639%0.39SS*.Hα-helixtrans-61.9-40.4-179.9-173.4174.4-176.7174.80112.2R11 R12 A13 K19R11-K15 WeakPolarHBondContact O-CB 3.39Å; R11-K15 PolarHBondContact O-N 3Å; R12-K15 PolarHBondContact O-N 3.19Å; A13-K15 PolarHBondContact O-N 3.31Å; K15-K19 WeakPolarHBondContact O-CG 3.34Å; K15-K19 PolarHBondContact O-N 3.14Å
16V91.8Very high84.8Confident31 Ų3176.6 Ų76.619%0.18836%0.36CS..Hα-helixtrans-70.8-51.2179.1168.80000110.7R12 A13 V14 R18 K19 L20 V190 I192R12-V16 HydrophobicContact CG-CG2 4.21Å; R12-V16 WeakPolarHBondContact O-CB 3.49Å; R12-V16 VanDerWaalsContact O-CG2 3.27Å; R12-V16 WeakPolarHBondContact O-CG2 3.43Å; R12-V16 PolarHBondContact O-N 2.87Å; A13-V16 PolarHBondContact O-N 3.06Å; V14-V16 VanDerWaalsContact C-N 3.33Å; V14-V16 PolarHBondContact O-N 3.31Å; V16-R18 PolarHBondContact O-N 3.43Å; V16-K19 WeakPolarHBondContact O-CB 3.28Å; V16-K19 PolarHBondContact O-N 3.15Å; V16-L20 HydrophobicContact CG1-CD1 4.11Å; V16-L20 HydrophobicContact CG1-CG 4.44Å; V16-L20 WeakPolarHBondContact O-CG 3.18Å; V16-L20 PolarHBondContact O-N 3.09Å; V16-V190 HydrophobicContact CG1-CG1 3.19Å; V16-I192 HydrophobicContact CG1-CG1 4.45Å
17S92.5Very high86.6Confident0 Ų073.8 Ų73.80%035%0.349CS..Hα-helixtrans-60.7-35.6178.6-590000112A13 L20 A21A13-S17 WeakPolarHBondContact O-CB 3.45Å; A13-S17 PolarHBondContact O-N 2.62Å; A13-S17 PolarHBondContact O-OG 3.15Å; S17-L20 PolarHBondContact O-N 3.14Å; S17-A21 WeakPolarHBondContact O-CB 3.36Å; S17-A21 PolarHBondContact O-N 2.8Å
18R94Very high88.2Confident113 Ų11365.8 Ų65.843%0.42632%0.315SS..Hα-helixtrans-62.5-42172.3-173.5-175-60173.61.3112.7V14 V16 D74 Y101V14-R18 WeakPolarHBondContact O-CB 3.3Å; V14-R18 PolarHBondContact O-N 3.04Å; V16-R18 PolarHBondContact O-N 3.43Å; R18-D74 IonicContact CZ-OD2 3.89Å; R18-D74 IonicContact NH2-OD2 2.7Å; R18-D74 PolarHBondContact NH2-OD2 2.92Å; R18-Y101 HydrophobicContact CB-CE1 3.94Å; R18-Y101 HydrophobicContact CG-CE1 4.28Å; R18-Y101 WeakPolarHBondContact CG-OH 3.34Å; R18-Y101 PolarHBondContact NE-OH 3.35Å
19K93Very high89.5Confident135 Ų13562.9 Ų62.959%0.58731%0.309SS*.Hα-helixtrans-65.8-43.9175.2-73.5-178.5175.2-160.60111.2K15 V16 A21 N22K15-K19 WeakPolarHBondContact O-CG 3.34Å; K15-K19 PolarHBondContact O-N 3.14Å; V16-K19 WeakPolarHBondContact O-CB 3.28Å; V16-K19 PolarHBondContact O-N 3.15Å; K19-A21 VanDerWaalsContact C-N 3.32Å; K19-A21 PolarHBondContact O-N 2.92Å; K19-N22 PolarHBondContact O-N 3.31Å
20L92.6Very high90.4Very high4 Ų468.7 Ų68.72%0.02133%0.329CS..Hα-helixtrans-61.3-40.5177.9-67.7174.8000111.9V16 S17 N22 L23 S26 V28 Y128 V190V16-L20 HydrophobicContact CG1-CD1 4.11Å; V16-L20 HydrophobicContact CG1-CG 4.44Å; V16-L20 WeakPolarHBondContact O-CG 3.18Å; V16-L20 PolarHBondContact O-N 3.09Å; S17-L20 PolarHBondContact O-N 3.14Å; L20-N22 PolarHBondContact O-N 3.29Å; L20-N22 VanDerWaalsContact O-N 3.16Å; L20-L23 HydrophobicContact CD2-CD1 4.32Å; L20-L23 PolarHBondContact O-N 2.84Å; L20-S26 VanDerWaalsContact O-CB 3.24Å; L20-S26 WeakPolarHBondContact O-CB 3.44Å; L20-S26 PolarHBondContact O-OG 3.27Å; L20-V28 HydrophobicContact CB-CB 3.91Å; L20-V28 HydrophobicContact CB-CG1 4.24Å; L20-V28 HydrophobicContact CB-CG2 3.81Å; L20-V28 HydrophobicContact CD1-CG2 4.09Å; L20-Y128 HydrophobicContact CD1-CD1 3.92Å; L20-Y128 HydrophobicContact CD1-CE1 3.66Å; L20-Y128 HydrophobicContact CD2-CE1 3.83Å; L20-Y128 HydrophobicContact CG-CE1 4.41Å; L20-V190 HydrophobicContact CD1-CG1 4.26Å
21A93.4Very high91Very high27 Ų2767.4 Ų67.422%0.22332%0.319CS..Hα-helixtrans-63.1-19.9178.200000114.3S17 K19 V28 Y101S17-A21 WeakPolarHBondContact O-CB 3.36Å; S17-A21 PolarHBondContact O-N 2.8Å; K19-A21 VanDerWaalsContact C-N 3.32Å; K19-A21 PolarHBondContact O-N 2.92Å; A21-V28 WeakPolarHBondContact CA-O 3.16Å; A21-V28 HydrophobicContact CB-CG1 4.17Å; A21-Y101 HydrophobicContact CB-CD1 4.02Å; A21-Y101 HydrophobicContact CB-CE1 4.2Å
22N92.5Very high91.5Very high131 Ų13160.2 Ų60.270%0.70130%0.296SS*.THydrogen-bonded Turntrans-91.2-8.7175.9-67-5.5000112.7K19 L20K19-N22 PolarHBondContact O-N 3.31Å; L20-N22 PolarHBondContact O-N 3.29Å; L20-N22 VanDerWaalsContact O-N 3.16Å
23L89.4Confident92Very high53 Ų5357.3 Ų57.328%0.27729%0.288SS..SBendtrans-94.1132.2-178.2-68.9169.5000110L20 S26 Y186L20-L23 HydrophobicContact CD2-CD1 4.32Å; L20-L23 PolarHBondContact O-N 2.84Å; L23-S26 PolarHBondContact O-OG 3.23Å; L23-Y186 HydrophobicContact CD1-CD1 3.83Å; L23-Y186 HydrophobicContact CD1-CD2 4.42Å; L23-Y186 HydrophobicContact CD1-CE1 3.42Å; L23-Y186 VanDerWaalsContact CD1-CE1 3.42Å; L23-Y186 HydrophobicContact CD1-CE2 4.06Å; L23-Y186 HydrophobicContact CD1-CG 4.32Å
24P84.1Confident92.5Very high102 Ų10261.3 Ų61.366%0.66231%0.31SS*.THydrogen-bonded Turntrans-61.9149.8170.528.8-33.9000109.5S26P24-S26 PolarHBondContact O-N 2.95Å
25N84Confident92.6Very high82 Ų8262 Ų6244%0.43931%0.311SS..THydrogen-bonded Turntrans61.511.1177-54.2-27.5000116G27N25-G27 PolarHBondContact O-N 2.99Å
26S90Very high92.7Very high3 Ų359.6 Ų59.62%0.02130%0.301CS..SBendtrans-71.2-20.817471.50000112.6L20 L23 P24 V28 Y128L20-S26 VanDerWaalsContact O-CB 3.24Å; L20-S26 WeakPolarHBondContact O-CB 3.44Å; L20-S26 PolarHBondContact O-OG 3.27Å; L23-S26 PolarHBondContact O-OG 3.23Å; P24-S26 PolarHBondContact O-N 2.95Å; S26-V28 PolarHBondContact O-N 2.79Å; S26-V28 PolarHBondContact OG-N 3.09Å; S26-Y128 WeakPolarHBondContact CA-OH 3.36Å; S26-Y128 WeakPolarHBondContact O-CE2 3.48Å; S26-Y128 PolarHBondContact O-OH 2.88Å
27G91.3Very high92.8Very high15 Ų1559 Ų5916%0.15530%0.296CS..  trans66.47.4-168.500000113.2N25 F103 R104N25-G27 PolarHBondContact O-N 2.99Å; G27-F103 CarbonylContact O-C 3.53Å; G27-F103 WeakPolarHBondContact O-CA 3.44Å; G27-F103 WeakPolarHBondContact O-CD2 3.22Å; G27-R104 CarbonylContact O-C 3.56Å; G27-R104 PolarHBondContact O-N 2.99Å
28V94.6Very high92.9Very high6 Ų663.6 Ų63.64%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-99.5127.2177.9-177.80000108.8L20 A21 S26 L71 V102 F103 Y128L20-V28 HydrophobicContact CB-CB 3.91Å; L20-V28 HydrophobicContact CB-CG1 4.24Å; L20-V28 HydrophobicContact CB-CG2 3.81Å; L20-V28 HydrophobicContact CD1-CG2 4.09Å; A21-V28 WeakPolarHBondContact CA-O 3.16Å; A21-V28 HydrophobicContact CB-CG1 4.17Å; S26-V28 PolarHBondContact O-N 2.79Å; S26-V28 PolarHBondContact OG-N 3.09Å; V28-L71 HydrophobicContact CB-CD1 4.48Å; V28-L71 HydrophobicContact CG1-CD1 4.02Å; V28-L71 HydrophobicContact CG2-CD1 3.61Å; V28-V102 WeakPolarHBondContact CA-O 3.28Å; V28-F103 HydrophobicContact CG2-CD2 4.15Å; V28-Y128 HydrophobicContact CG2-CE2 4.07Å
29T95.2Very high92.9Very high48 Ų4858.3 Ų58.329%0.29430%0.304SS..EExtended strand (participates in β ladder)trans-120.9150.8178.759.50000110.4Y101 V102 R104T29-Y101 WeakPolarHBondContact O-CA 3.4Å; T29-V102 PolarHBondContact N-O 3.04Å; T29-V102 PolarHBondContact O-N 2.9Å; T29-V102 PolarHBondContact OG1-O 3.08Å; T29-R104 WeakPolarHBondContact OG1-CD 3.13Å
30R95.6Very high92.8Very high152 Ų15253.9 Ų53.957%0.57429%0.29SS*.EExtended strand (participates in β ladder)trans-96.9125.6171.8-175.4-176.777.5-179.36.2108.3R99 Y100 Y101R30-R99 HydrophobicContact CG-CG 3.99Å; R30-Y100 WeakPolarHBondContact CA-O 3.38Å; R30-Y101 HydrophobicContact CB-CD1 4.43Å; R30-Y101 HydrophobicContact CB-CE1 4.34Å; R30-Y101 HydrophobicContact CG-CE1 4.16Å
31C95Very high92.7Very high16 Ų1660.6 Ų60.611%0.10832%0.315CS..EExtended strand (participates in β ladder)trans-131.6141.5173.661.70000110.8Y100C31-Y100 PolarHBondContact N-O 3.22Å; C31-Y100 PolarHBondContact O-N 3.38Å
32E96.1Very high92.6Very high87 Ų8766.8 Ų66.841%0.40734%0.339SS..EExtended strand (participates in β ladder)trans-106.9127.4171.4-62.3-170.4167.500107.6V98 R99E32-V98 WeakPolarHBondContact CA-O 3.48Å; E32-R99 HydrophobicContact CG-CB 4.04Å; E32-R99 HydrophobicContact CG-CG 4.07Å; E32-R99 IonicContact OE1-CZ 3.2Å; E32-R99 IonicContact OE1-NE 2.69Å; E32-R99 PolarHBondContact OE1-NE 3.4Å; E32-R99 IonicContact OE1-NH2 2.83Å; E32-R99 PolarHBondContact OE1-NH2 2.78Å
33L96.1Very high92.4Very high43 Ų4361.5 Ų61.523%0.22531%0.31CS..EExtended strand (participates in β ladder)trans-129.6135.7-179.4-62.6174000109.7F63 E65 A66 V98 Y100L33-F63 HydrophobicContact CD1-CE1 4.45Å; L33-E65 HydrophobicContact CD1-CB 4.39Å; L33-A66 HydrophobicContact CD1-CB 3.97Å; L33-V98 PolarHBondContact N-O 3.04Å; L33-V98 PolarHBondContact O-N 3.03Å; L33-Y100 HydrophobicContact CB-CD2 4.14Å; L33-Y100 HydrophobicContact CB-CE2 3.98Å; L33-Y100 HydrophobicContact CD1-CD2 4.06Å; L33-Y100 HydrophobicContact CD1-CE2 4.27Å; L33-Y100 HydrophobicContact CG-CD2 4.24Å; L33-Y100 HydrophobicContact CG-CE2 4.5Å
34D96.5Very high92.3Very high86 Ų8661.5 Ų61.546%0.4631%0.313SS..EExtended strand (participates in β ladder)trans-86.8129.3171.8-66.8-7.3000108.4L79 R97D34-L79 HydrophobicContact CB-CD1 3.91Å; D34-R97 WeakPolarHBondContact OD1-CB 3.37Å; D34-R97 VanDerWaalsContact OD1-CG 3.23Å; D34-R97 WeakPolarHBondContact OD1-CG 3.49Å; D34-R97 IonicContact OD1-CZ 2.69Å; D34-R97 IonicContact OD1-NE 3.67Å; D34-R97 PolarHBondContact OD1-NE 2.89Å; D34-R97 IonicContact OD1-NH2 3.4Å; D34-R97 PolarHBondContact OD1-NH2 3.49Å; D34-R97 IonicContact OD2-CZ 3.12Å; D34-R97 IonicContact OD2-NE 2.75Å; D34-R97 IonicContact OD2-NH2 2.7Å; D34-R97 PolarHBondContact OD2-NH2 3.33Å
35R94.9Very high92.5Very high31 Ų3161.5 Ų61.512%0.11732%0.321CS..EExtended strand (participates in β ladder)trans-134.5142.3-176.1-69.4-170.6-179.6-118.8-18.3111.9F37 F63 E65 K95 V96 Y100R35-F37 HydrophobicContact CB-CD2 4.36Å; R35-F37 HydrophobicContact CB-CE2 3.83Å; R35-F37 HydrophobicContact CB-CZ 4.1Å; R35-F63 VanDerWaalsContact NH2-CE2 3.26Å; R35-E65 IonicContact CZ-OE1 3.87Å; R35-E65 IonicContact CZ-OE2 3.72Å; R35-E65 VanDerWaalsContact NH1-CD 3.28Å; R35-E65 IonicContact NH1-OE1 3.31Å; R35-E65 PolarHBondContact NH1-OE1 2.86Å; R35-E65 VanDerWaalsContact NH1-OE1 3.16Å; R35-E65 IonicContact NH1-OE2 3.33Å; R35-E65 PolarHBondContact NH1-OE2 3.25Å; R35-E65 IonicContact NH2-OE1 3Å; R35-E65 PolarHBondContact NH2-OE1 3.48Å; R35-E65 IonicContact NH2-OE2 3.16Å; R35-E65 PolarHBondContact NH2-OE2 2.85Å; R35-K95 CarbonylContact O-C 3.56Å; R35-K95 WeakPolarHBondContact O-CA 3.27Å; R35-V96 PolarHBondContact N-O 3.23Å; R35-V96 PolarHBondContact O-N 3.47Å; R35-Y100 WeakPolarHBondContact CD-OH 3.44Å; R35-Y100 PolarHBondContact NE-OH 2.86Å
36E94.7Very high92.9Very high87 Ų8762 Ų6241%0.40732%0.324SS..EExtended strand (participates in β ladder)trans-98.4119.1167.3-170.8162.5-177.700108.6Y86 C93 V94 K95E36-Y86 PolarHBondContact OE1-OH 3.26Å; E36-Y86 VanDerWaalsContact OE1-OH 3.07Å; E36-C93 HydrophobicContact CG-CB 4.24Å; E36-C93 WeakPolarHBondContact OE1-CB 3.24Å; E36-V94 WeakPolarHBondContact CA-O 3.37Å; E36-K95 HydrophobicContact CB-CG 4.28Å; E36-K95 HydrophobicContact CG-CG 4.2Å; E36-K95 WeakPolarHBondContact OE2-CE 3.4Å; E36-K95 IonicContact OE2-NZ 2.83Å
37F94.1Very high93Very high19 Ų1962.5 Ų62.58%0.08333%0.327CS..EExtended strand (participates in β ladder)trans-100.6125.8173.1-66.9-79.7000108.7R35 L39 I51 I54 V55 C93 V94 V96R35-F37 HydrophobicContact CB-CD2 4.36Å; R35-F37 HydrophobicContact CB-CE2 3.83Å; R35-F37 HydrophobicContact CB-CZ 4.1Å; F37-L39 HydrophobicContact CB-CD2 4.44Å; F37-I51 HydrophobicContact CD2-CD1 4.5Å; F37-I51 HydrophobicContact CD2-CG1 4.34Å; F37-I51 HydrophobicContact CD2-CG2 4.09Å; F37-I51 HydrophobicContact CE2-CG2 3.88Å; F37-I51 HydrophobicContact CG-CG1 4.48Å; F37-I51 HydrophobicContact CZ-CG2 4.29Å; F37-I54 HydrophobicContact CD1-CB 4.48Å; F37-I54 HydrophobicContact CD1-CD1 4.38Å; F37-I54 HydrophobicContact CD1-CG2 3.85Å; F37-I54 HydrophobicContact CE1-CB 4.47Å; F37-I54 HydrophobicContact CE1-CG2 3.75Å; F37-V55 HydrophobicContact CE1-CG2 4.16Å; F37-V55 HydrophobicContact CZ-CG2 3.74Å; F37-C93 WeakPolarHBondContact O-CA 3.31Å; F37-V94 PolarHBondContact N-O 3.17Å; F37-V94 PolarHBondContact O-N 3.48Å; F37-V96 HydrophobicContact CD2-CB 4.32Å; F37-V96 HydrophobicContact CD2-CG2 4.44Å; F37-V96 HydrophobicContact CE2-CB 4.2Å
38V93.7Very high93Very high96 Ų9667.7 Ų67.758%0.58235%0.345SS*.EExtended strand (participates in β ladder)trans-92.8114169.8-171.30000107.7
39L93.6Very high92.9Very high2 Ų271.5 Ų71.51%0.0136%0.362CS..EExtended strand (participates in β ladder)trans-102.7148.8-179.8-58.5178000110.1F37 Q43 L47 I51 I54 I92 V94F37-L39 HydrophobicContact CB-CD2 4.44Å; L39-Q43 HydrophobicContact CB-CB 4.19Å; L39-L47 HydrophobicContact CD1-CB 4.41Å; L39-L47 HydrophobicContact CD1-CD2 3.56Å; L39-I51 HydrophobicContact CD1-CG1 4.34Å; L39-I54 HydrophobicContact CD2-CD1 3.29Å; L39-I92 HydrophobicContact CB-CB 4.4Å; L39-I92 PolarHBondContact N-O 2.97Å; L39-I92 PolarHBondContact O-N 3.49Å; L39-V94 HydrophobicContact CD1-CG2 3.94Å
40S92.1Very high92.8Very high42 Ų4269.7 Ų69.729%0.29435%0.352SS..  trans-88.7161.5173.254.30000111.2H42 Q43S40-H42 PolarHBondContact O-N 2.89Å; S40-H42 VanDerWaalsContact O-N 3.12Å; S40-H42 PolarHBondContact OG-CE1 2.86Å; S40-H42 PolarHBondContact OG-ND1 2.93Å; S40-H42 PolarHBondContact OG-NE2 3.23Å; S40-Q43 WeakPolarHBondContact O-CB 3.27Å; S40-Q43 PolarHBondContact O-N 3.03Å; S40-Q43 PolarHBondContact OG-OE1 3.32Å
41W90.1Very high92.7Very high144 Ų14462.5 Ų62.555%0.54532%0.324SS..G310 helixtrans-53.6-36.5-176.3-70.5106.2000114.5Q43 T44 V85 P90 I92W41-Q43 PolarHBondContact O-N 2.92Å; W41-T44 HydrophobicContact CE3-CG2 4.32Å; W41-T44 WeakPolarHBondContact O-CB 3.31Å; W41-T44 VanDerWaalsContact O-CG2 3.27Å; W41-T44 WeakPolarHBondContact O-CG2 3.45Å; W41-T44 PolarHBondContact O-N 3.36Å; W41-T44 PolarHBondContact O-OG1 3.3Å; W41-V85 HydrophobicContact CH2-CG1 4.38Å; W41-V85 HydrophobicContact CZ2-CG1 4.39Å; W41-P90 PolarHBondContact NE1-O 2.85Å; W41-I92 HydrophobicContact CD2-CD1 4.26Å; W41-I92 HydrophobicContact CE3-CD1 3.75Å; W41-I92 HydrophobicContact CH2-CD1 4.38Å; W41-I92 HydrophobicContact CZ3-CD1 3.82Å; W41-I92 HydrophobicContact CZ3-CG1 4.49Å
42H90.3Very high92.5Very high157 Ų15764 Ų6473%0.72733%0.329SS*.G310 helixtrans-70.1-13.8179.367.1-95.2000113.9S40S40-H42 PolarHBondContact O-N 2.89Å; S40-H42 VanDerWaalsContact O-N 3.12Å; S40-H42 PolarHBondContact OG-CE1 2.86Å; S40-H42 PolarHBondContact OG-ND1 2.93Å; S40-H42 PolarHBondContact OG-NE2 3.23Å
43Q89.8Confident92.3Very high20 Ų2061.7 Ų61.79%0.09332%0.319CS..G310 helixtrans-90.8-3.5178.6-66.5176.4-55.700112.8L39 S40 W41 N46 S50L39-Q43 HydrophobicContact CB-CB 4.19Å; S40-Q43 WeakPolarHBondContact O-CB 3.27Å; S40-Q43 PolarHBondContact O-N 3.03Å; S40-Q43 PolarHBondContact OG-OE1 3.32Å; W41-Q43 PolarHBondContact O-N 2.92Å; Q43-N46 CarbonylContact O-C 3.57Å; Q43-S50 VanDerWaalsContact CB-OG 3.31Å; Q43-S50 WeakPolarHBondContact CB-OG 3.2Å; Q43-S50 PolarHBondContact O-OG 2.92Å; Q43-S50 VanDerWaalsContact O-OG 3.13Å
44T86.1Confident92.1Very high54 Ų5461.3 Ų61.333%0.33132%0.317SS..G310 helixtrans-68.3-35.6-175.551.80000114.4W41 N46 I92W41-T44 HydrophobicContact CE3-CG2 4.32Å; W41-T44 WeakPolarHBondContact O-CB 3.31Å; W41-T44 VanDerWaalsContact O-CG2 3.27Å; W41-T44 WeakPolarHBondContact O-CG2 3.45Å; W41-T44 PolarHBondContact O-N 3.36Å; W41-T44 PolarHBondContact O-OG1 3.3Å; T44-N46 PolarHBondContact O-N 2.65Å; T44-N46 VanDerWaalsContact O-N 3.08Å; T44-I92 HydrophobicContact CG2-CD1 2.96Å; T44-I92 HydrophobicContact CG2-CG1 4.42Å
45A89.6Confident91.9Very high102 Ų10257.4 Ų57.484%0.84330%0.296SS*.G310 helixtrans-57-30.9-175.900000112.5
46N91.4Very high91.7Very high91 Ų9157.7 Ų57.749%0.48730%0.3SS..G310 helixtrans-147.475.9175.8-166.2-25.7000111.4Q43 T44 K48 Q49 S50Q43-N46 CarbonylContact O-C 3.57Å; T44-N46 PolarHBondContact O-N 2.65Å; T44-N46 VanDerWaalsContact O-N 3.08Å; N46-K48 PolarHBondContact O-N 2.95Å; N46-K48 VanDerWaalsContact O-N 3.11Å; N46-Q49 HydrophobicContact CB-CB 3.97Å; N46-Q49 VanDerWaalsContact CG-CB 3.41Å; N46-Q49 PolarHBondContact O-N 3.45Å; N46-Q49 WeakPolarHBondContact OD1-CB 3.33Å; N46-Q49 PolarHBondContact OD1-N 2.91Å; N46-S50 PolarHBondContact O-N 3.23Å; N46-S50 PolarHBondContact O-OG 3.16Å
47L91.6Very high91.5Very high15 Ų1560.6 Ų60.68%0.07931%0.307CS..Hα-helixtrans-50.3-40.1-179.8-58172.6000112.4L39 S50 I51 W78 A83L39-L47 HydrophobicContact CD1-CB 4.41Å; L39-L47 HydrophobicContact CD1-CD2 3.56Å; L47-S50 PolarHBondContact O-N 2.93Å; L47-I51 VanDerWaalsContact O-CG1 3.28Å; L47-I51 WeakPolarHBondContact O-CG1 3.14Å; L47-I51 PolarHBondContact O-N 2.99Å; L47-W78 HydrophobicContact CB-CH2 3.53Å; L47-W78 HydrophobicContact CB-CZ3 4.11Å; L47-W78 HydrophobicContact CD1-CZ3 4.35Å; L47-A83 HydrophobicContact CD1-CB 4.21Å
48K91.7Very high91.2Very high124 Ų12461.4 Ų61.454%0.53932%0.315SS..Hα-helixtrans-61.2-50.2178.8-176.4178.1178.3-178.70111.5N46 S50 I51 H52 W78N46-K48 PolarHBondContact O-N 2.95Å; N46-K48 VanDerWaalsContact O-N 3.11Å; K48-S50 VanDerWaalsContact C-N 3.32Å; K48-S50 PolarHBondContact O-N 3.46Å; K48-I51 PolarHBondContact O-N 3.16Å; K48-H52 PolarHBondContact O-CD2 3.01Å; K48-H52 PolarHBondContact O-N 3.18Å; K48-H52 VanDerWaalsContact O-N 3.07Å; K48-W78 HydrophobicContact CB-CZ2 3.91Å; K48-W78 HydrophobicContact CG-CZ2 4.46Å
49Q92.2Very high91Very high86 Ų8657 Ų5740%0.40229%0.288SS..Hα-helixtrans-62.4-41.3177.7-178.958.52800111.1N46 I51 H52 E53N46-Q49 HydrophobicContact CB-CB 3.97Å; N46-Q49 VanDerWaalsContact CG-CB 3.41Å; N46-Q49 PolarHBondContact O-N 3.45Å; N46-Q49 WeakPolarHBondContact OD1-CB 3.33Å; N46-Q49 PolarHBondContact OD1-N 2.91Å; Q49-I51 PolarHBondContact O-N 2.71Å; Q49-H52 WeakPolarHBondContact O-CB 3.39Å; Q49-H52 PolarHBondContact O-N 3.39Å; Q49-E53 PolarHBondContact NE2-OE1 3.03Å; Q49-E53 WeakPolarHBondContact O-CG 3.2Å; Q49-E53 PolarHBondContact O-N 3.23Å
50S93.2Very high90.7Very high10 Ų1058.2 Ų58.27%0.0729%0.294CS..Hα-helixtrans-64.4-40.4179.2-58.80000113.1Q43 N46 L47 K48 E53 I54Q43-S50 VanDerWaalsContact CB-OG 3.31Å; Q43-S50 WeakPolarHBondContact CB-OG 3.2Å; Q43-S50 PolarHBondContact O-OG 2.92Å; Q43-S50 VanDerWaalsContact O-OG 3.13Å; N46-S50 PolarHBondContact O-N 3.23Å; N46-S50 PolarHBondContact O-OG 3.16Å; L47-S50 PolarHBondContact O-N 2.93Å; K48-S50 VanDerWaalsContact C-N 3.32Å; K48-S50 PolarHBondContact O-N 3.46Å; S50-E53 PolarHBondContact O-N 3.14Å; S50-I54 WeakPolarHBondContact O-CG1 3.44Å; S50-I54 PolarHBondContact O-N 2.74Å
51I93Very high90.7Very high0 Ų058.8 Ų58.80%029%0.292CS..Hα-helixtrans-64.3-44.8174.2-67.6171.8000110.5F37 L39 L47 K48 Q49 E53 I54 V55 V76 W78 V94 V96F37-I51 HydrophobicContact CD2-CD1 4.5Å; F37-I51 HydrophobicContact CD2-CG1 4.34Å; F37-I51 HydrophobicContact CD2-CG2 4.09Å; F37-I51 HydrophobicContact CE2-CG2 3.88Å; F37-I51 HydrophobicContact CG-CG1 4.48Å; F37-I51 HydrophobicContact CZ-CG2 4.29Å; L39-I51 HydrophobicContact CD1-CG1 4.34Å; L47-I51 VanDerWaalsContact O-CG1 3.28Å; L47-I51 WeakPolarHBondContact O-CG1 3.14Å; L47-I51 PolarHBondContact O-N 2.99Å; K48-I51 PolarHBondContact O-N 3.16Å; Q49-I51 PolarHBondContact O-N 2.71Å; I51-E53 VanDerWaalsContact C-N 3.28Å; I51-E53 PolarHBondContact O-N 3.25Å; I51-I54 PolarHBondContact O-N 3.3Å; I51-V55 HydrophobicContact CG2-CG2 4.42Å; I51-V55 WeakPolarHBondContact O-CG2 3.46Å; I51-V55 PolarHBondContact O-N 3.12Å; I51-V76 HydrophobicContact CG2-CG1 4.16Å; I51-W78 HydrophobicContact CD1-CH2 3.38Å; I51-W78 HydrophobicContact CD1-CZ2 3.93Å; I51-W78 HydrophobicContact CD1-CZ3 3.85Å; I51-V94 HydrophobicContact CD1-CB 4.31Å; I51-V94 HydrophobicContact CD1-CG1 3.88Å; I51-V96 HydrophobicContact CD1-CG2 3.72Å
52H92.8Very high90.8Very high47 Ų4754.5 Ų54.522%0.21828%0.276CS..Hα-helixtrans-57.9-41.5174.3-81.5-66.4000112.1K48 Q49 V55 D56 Y73K48-H52 PolarHBondContact O-CD2 3.01Å; K48-H52 PolarHBondContact O-N 3.18Å; K48-H52 VanDerWaalsContact O-N 3.07Å; Q49-H52 WeakPolarHBondContact O-CB 3.39Å; Q49-H52 PolarHBondContact O-N 3.39Å; H52-V55 PolarHBondContact O-N 2.92Å; H52-D56 WeakPolarHBondContact O-CB 3.41Å; H52-D56 PolarHBondContact O-N 3.3Å; H52-Y73 AromaticContact CE1-CE2 3.85Å; H52-Y73 AromaticContact ND1-CE2 3.43Å; H52-Y73 WeakPolarHBondContact ND1-CE2 3.34Å; H52-Y73 AromaticContact ND1-CZ 3.66Å; H52-Y73 PolarHBondContact ND1-OH 3.3Å; H52-Y73 PolarHBondContact O-OH 2.7Å
53E91Very high90.9Very high39 Ų3947.8 Ų47.818%0.18224%0.244CC..Hα-helixtrans-65.2-41.1177.1-75.1178.1-174.200112.7R5 Q49 S50 I51 D56 R57R5-E53 IonicContact CZ-OE1 2.72Å; R5-E53 IonicContact NH1-OE1 3.83Å; R5-E53 PolarHBondContact NH1-OE1 2.75Å; R5-E53 IonicContact NH2-OE1 3.93Å; R5-E53 IonicContact NH2-OE2 2.62Å; Q49-E53 PolarHBondContact NE2-OE1 3.03Å; Q49-E53 WeakPolarHBondContact O-CG 3.2Å; Q49-E53 PolarHBondContact O-N 3.23Å; S50-E53 PolarHBondContact O-N 3.14Å; I51-E53 VanDerWaalsContact C-N 3.28Å; I51-E53 PolarHBondContact O-N 3.25Å; E53-D56 PolarHBondContact O-N 3.3Å; E53-R57 VanDerWaalsContact O-CG 3.31Å; E53-R57 WeakPolarHBondContact O-CG 3.38Å; E53-R57 PolarHBondContact O-N 3.27Å
54I92.1Very high90.9Very high36 Ų3654.4 Ų54.419%0.18528%0.275CS..Hα-helixtrans-63.4-48.5176.5-68.4165.5000110.2F37 L39 S50 I51 D56 R57 S58F37-I54 HydrophobicContact CD1-CB 4.48Å; F37-I54 HydrophobicContact CD1-CD1 4.38Å; F37-I54 HydrophobicContact CD1-CG2 3.85Å; F37-I54 HydrophobicContact CE1-CB 4.47Å; F37-I54 HydrophobicContact CE1-CG2 3.75Å; L39-I54 HydrophobicContact CD2-CD1 3.29Å; S50-I54 WeakPolarHBondContact O-CG1 3.44Å; S50-I54 PolarHBondContact O-N 2.74Å; I51-I54 PolarHBondContact O-N 3.3Å; I54-D56 VanDerWaalsContact C-N 3.33Å; I54-D56 PolarHBondContact O-N 2.8Å; I54-R57 WeakPolarHBondContact O-CB 3.17Å; I54-R57 PolarHBondContact O-N 3.07Å; I54-S58 PolarHBondContact O-N 2.73Å
55V92.4Very high91.2Very high3 Ų357.8 Ų57.82%0.01829%0.288CS..Hα-helixtrans-65.4-38.8179-177.60000111.1F37 I51 H52 R57 S58 M59 L70 Y73 Y100F37-V55 HydrophobicContact CE1-CG2 4.16Å; F37-V55 HydrophobicContact CZ-CG2 3.74Å; I51-V55 HydrophobicContact CG2-CG2 4.42Å; I51-V55 WeakPolarHBondContact O-CG2 3.46Å; I51-V55 PolarHBondContact O-N 3.12Å; H52-V55 PolarHBondContact O-N 2.92Å; V55-R57 PolarHBondContact O-N 3.06Å; V55-S58 PolarHBondContact O-N 2.84Å; V55-S58 VanDerWaalsContact O-N 3.09Å; V55-M59 PolarHBondContact O-N 3.18Å; V55-L70 HydrophobicContact CG1-CD2 4.33Å; V55-Y73 HydrophobicContact CB-CD1 4.38Å; V55-Y73 HydrophobicContact CB-CE1 4.02Å; V55-Y73 HydrophobicContact CG1-CD1 3.33Å; V55-Y73 HydrophobicContact CG1-CD2 4.1Å; V55-Y73 HydrophobicContact CG1-CE1 3.42Å; V55-Y73 VanDerWaalsContact CG1-CE1 3.42Å; V55-Y73 HydrophobicContact CG1-CE2 4.19Å; V55-Y73 HydrophobicContact CG1-CG 3.69Å; V55-Y100 HydrophobicContact CG1-CE1 3.83Å
56D91.3Very high91.4Very high38 Ų3853 Ų5320%0.20325%0.248CC..Hα-helixtrans-61.3-31175.6-83.64.2000112.2R8 N9 H52 E53 I54 S58 M59 Y73R8-D56 WeakPolarHBondContact CD-O 3.44Å; R8-D56 PolarHBondContact NH1-O 2.97Å; N9-D56 WeakPolarHBondContact CB-OD1 3.48Å; H52-D56 WeakPolarHBondContact O-CB 3.41Å; H52-D56 PolarHBondContact O-N 3.3Å; E53-D56 PolarHBondContact O-N 3.3Å; I54-D56 VanDerWaalsContact C-N 3.33Å; I54-D56 PolarHBondContact O-N 2.8Å; D56-S58 VanDerWaalsContact C-N 3.33Å; D56-M59 WeakPolarHBondContact O-CB 3.24Å; D56-M59 PolarHBondContact O-N 2.95Å; D56-Y73 WeakPolarHBondContact OD1-CE1 3.29Å; D56-Y73 PolarHBondContact OD1-OH 2.89Å
57R89Confident91.4Very high148 Ų14850.2 Ų50.256%0.55824%0.24SC*.Hα-helixtrans-66-35.3174.4-71.6170.2-164.6178.74.7112.2R8 E53 I54 V55 M59 Q61R8-R57 PolarHBondContact NH1-O 3.4Å; E53-R57 VanDerWaalsContact O-CG 3.31Å; E53-R57 WeakPolarHBondContact O-CG 3.38Å; E53-R57 PolarHBondContact O-N 3.27Å; I54-R57 WeakPolarHBondContact O-CB 3.17Å; I54-R57 PolarHBondContact O-N 3.07Å; V55-R57 PolarHBondContact O-N 3.06Å; R57-M59 VanDerWaalsContact C-N 3.31Å; R57-Q61 PolarHBondContact O-NE2 3.03Å
58S88.8Confident91.5Very high35 Ų3549.5 Ų49.525%0.24524%0.237CC..Hα-helixtrans-79.4-9.4178.1-55.50000113.9I54 V55 D56 H60 Q61I54-S58 PolarHBondContact O-N 2.73Å; V55-S58 PolarHBondContact O-N 2.84Å; V55-S58 VanDerWaalsContact O-N 3.09Å; D56-S58 VanDerWaalsContact C-N 3.33Å; S58-H60 PolarHBondContact O-N 3.41Å; S58-Q61 WeakPolarHBondContact O-CB 3.47Å; S58-Q61 PolarHBondContact O-N 3.29Å
59M89.6Confident91.6Very high3 Ų343.8 Ų43.82%0.01521%0.212CC..THydrogen-bonded Turntrans-57.7134.2177.9-71.8-74.1-60.100111.6R8 N9 V55 D56 R57 Q61 L70 L71 Y73R8-M59 HydrophobicContact CB-CB 3.88Å; R8-M59 HydrophobicContact CB-CG 4.13Å; N9-M59 HydrophobicContact CB-CE 4.12Å; N9-M59 HydrophobicContact CB-SD 4.28Å; V55-M59 PolarHBondContact O-N 3.18Å; D56-M59 WeakPolarHBondContact O-CB 3.24Å; D56-M59 PolarHBondContact O-N 2.95Å; R57-M59 VanDerWaalsContact C-N 3.31Å; M59-Q61 PolarHBondContact O-N 2.88Å; M59-L70 HydrophobicContact SD-CD2 4.08Å; M59-L70 HydrophobicContact SD-CG 3.99Å; M59-L71 WeakPolarHBondContact CE-O 3.46Å; M59-Y73 HydrophobicContact CG-CE1 4.43Å; M59-Y73 HydrophobicContact SD-CD1 3.72Å; M59-Y73 HydrophobicContact SD-CE1 4.06Å
60H87.6Confident91.7Very high29 Ų2939.7 Ų39.713%0.13419%0.193CC..THydrogen-bonded Turntrans65.513-179.9-39.3117.5000114.9S58 L70 I130 F193S58-H60 PolarHBondContact O-N 3.41Å; H60-L70 VanDerWaalsContact CA-O 3.29Å; H60-L70 WeakPolarHBondContact CA-O 3.03Å; H60-L70 PolarHBondContact N-O 2.99Å; H60-I130 HydrophobicContact CB-CG2 3.94Å; H60-I130 WeakPolarHBondContact CD2-CD1 3.29Å; H60-F193 HydrophobicContact CB-CZ 4.41Å; H60-F193 AromaticContact CD2-CZ 3.81Å; H60-F193 AromaticContact CE1-CE1 3.15Å; H60-F193 WeakPolarHBondContact CE1-CE1 3.26Å; H60-F193 AromaticContact CE1-CZ 3.13Å; H60-F193 WeakPolarHBondContact CE1-CZ 3.37Å; H60-F193 AromaticContact CG-CZ 3.54Å; H60-F193 AromaticContact ND1-CE1 3.57Å; H60-F193 AromaticContact ND1-CZ 3.15Å; H60-F193 WeakPolarHBondContact ND1-CZ 3.46Å; H60-F193 AromaticContact NE2-CE1 3.77Å; H60-F193 AromaticContact NE2-CZ 3.54Å
61Q91.7Very high91.7Very high54 Ų5439.2 Ų39.225%0.25219%0.189SC..SBendtrans-100.1155.6170.7-59.5-178.46.400110R57 S58 M59 F63 I69 L70 R163R57-Q61 PolarHBondContact O-NE2 3.03Å; S58-Q61 WeakPolarHBondContact O-CB 3.47Å; S58-Q61 PolarHBondContact O-N 3.29Å; M59-Q61 PolarHBondContact O-N 2.88Å; Q61-F63 PolarHBondContact O-N 3.22Å; Q61-I69 WeakPolarHBondContact O-CA 3.38Å; Q61-L70 PolarHBondContact O-N 2.99Å; Q61-L70 VanDerWaalsContact O-N 3.09Å; Q61-R163 CarbonylContact C-O 3.28Å; Q61-R163 WeakPolarHBondContact CA-O 3.21Å; Q61-R163 HydrophobicContact CB-CB 4.41Å; Q61-R163 HydrophobicContact CG-CB 4.32Å
62Y92.9Very high91.8Very high54 Ų5439.2 Ų39.221%0.21219%0.189CC..EExtended strand (participates in β ladder)trans-60.7126.7166.7-173.8-102000109.3Q64 A160 R163 I165Y62-Q64 HydrophobicContact CE1-CB 4.42Å; Y62-A160 HydrophobicContact CD1-CB 4.23Å; Y62-A160 HydrophobicContact CD2-CB 4.1Å; Y62-A160 HydrophobicContact CE1-CB 4.03Å; Y62-A160 HydrophobicContact CE2-CB 3.91Å; Y62-A160 HydrophobicContact CG-CB 4.25Å; Y62-R163 PolarHBondContact N-O 3.43Å; Y62-I165 HydrophobicContact CD2-CD1 3.57Å; Y62-I165 HydrophobicContact CD2-CG1 3.83Å; Y62-I165 HydrophobicContact CE2-CD1 3.51Å; Y62-I165 HydrophobicContact CE2-CG1 4.13Å
63F90.9Very high91.9Very high15 Ų1537.3 Ų37.37%0.06618%0.18CC..EExtended strand (participates in β ladder)trans-114.799.3-173.2-165.9-146.1000108.6L33 R35 Q61 E65 A66 G67 G68 L70 Y100L33-F63 HydrophobicContact CD1-CE1 4.45Å; R35-F63 VanDerWaalsContact NH2-CE2 3.26Å; Q61-F63 PolarHBondContact O-N 3.22Å; F63-E65 PolarHBondContact O-N 2.9Å; F63-A66 HydrophobicContact CB-CB 4.39Å; F63-A66 HydrophobicContact CD1-CB 3.44Å; F63-A66 VanDerWaalsContact CD1-CB 3.44Å; F63-A66 HydrophobicContact CE1-CB 4.24Å; F63-A66 HydrophobicContact CG-CB 4.23Å; F63-A66 CarbonylContact O-C 3.5Å; F63-A66 VanDerWaalsContact O-C 3.28Å; F63-A66 WeakPolarHBondContact O-CA 3.33Å; F63-A66 PolarHBondContact O-N 3.46Å; F63-G67 PolarHBondContact O-N 3.04Å; F63-G68 WeakPolarHBondContact CB-O 3.2Å; F63-G68 PolarHBondContact N-O 3Å; F63-G68 PolarHBondContact O-N 3Å; F63-L70 HydrophobicContact CB-CB 4.35Å; F63-Y100 HydrophobicContact CE1-CD1 4.07Å; F63-Y100 HydrophobicContact CE1-CD2 4.05Å; F63-Y100 AromaticContact CE1-CE1 3.95Å; F63-Y100 HydrophobicContact CE1-CE1 3.95Å; F63-Y100 AromaticContact CE1-CE2 3.94Å; F63-Y100 HydrophobicContact CE1-CE2 3.94Å; F63-Y100 HydrophobicContact CE1-CG 4.1Å; F63-Y100 AromaticContact CE1-CZ 3.88Å; F63-Y100 HydrophobicContact CZ-CE1 4.08Å; F63-Y100 HydrophobicContact CZ-CE2 4.31Å; F63-Y100 AromaticContact CZ-CZ 3.9Å
64Q91.4Very high92Very high159 Ų15937.3 Ų37.374%0.74318%0.182SC*.G310 helixtrans-58.9-45.8-167.7-173.7174.91.400112.7Y62 A66 G67Y62-Q64 HydrophobicContact CE1-CB 4.42Å; Q64-A66 PolarHBondContact O-N 2.82Å; Q64-A66 VanDerWaalsContact O-N 3.17Å; Q64-G67 PolarHBondContact O-N 3.37Å
65E92Very high91.9Very high126 Ų12640.8 Ų40.859%0.58920%0.196SC*.G310 helixtrans-63.9-24.2179.5-61.3137.1117.400112.4L33 R35 F63L33-E65 HydrophobicContact CD1-CB 4.39Å; R35-E65 IonicContact CZ-OE1 3.87Å; R35-E65 IonicContact CZ-OE2 3.72Å; R35-E65 VanDerWaalsContact NH1-CD 3.28Å; R35-E65 IonicContact NH1-OE1 3.31Å; R35-E65 PolarHBondContact NH1-OE1 2.86Å; R35-E65 VanDerWaalsContact NH1-OE1 3.16Å; R35-E65 IonicContact NH1-OE2 3.33Å; R35-E65 PolarHBondContact NH1-OE2 3.25Å; R35-E65 IonicContact NH2-OE1 3Å; R35-E65 PolarHBondContact NH2-OE1 3.48Å; R35-E65 IonicContact NH2-OE2 3.16Å; R35-E65 PolarHBondContact NH2-OE2 2.85Å; F63-E65 PolarHBondContact O-N 2.9Å
66A92.2Very high92Very high1 Ų142.1 Ų42.11%0.00820%0.203CC..G310 helixtrans-103.27.7173.500000113L33 F63 Q64 G68 V102 R104L33-A66 HydrophobicContact CD1-CB 3.97Å; F63-A66 HydrophobicContact CB-CB 4.39Å; F63-A66 HydrophobicContact CD1-CB 3.44Å; F63-A66 VanDerWaalsContact CD1-CB 3.44Å; F63-A66 HydrophobicContact CE1-CB 4.24Å; F63-A66 HydrophobicContact CG-CB 4.23Å; F63-A66 CarbonylContact O-C 3.5Å; F63-A66 VanDerWaalsContact O-C 3.28Å; F63-A66 WeakPolarHBondContact O-CA 3.33Å; F63-A66 PolarHBondContact O-N 3.46Å; Q64-A66 PolarHBondContact O-N 2.82Å; Q64-A66 VanDerWaalsContact O-N 3.17Å; A66-G68 VanDerWaalsContact C-N 3.25Å; A66-G68 PolarHBondContact O-N 3.41Å; A66-G68 VanDerWaalsContact O-N 3.08Å; A66-V102 HydrophobicContact CB-CG1 4.17Å; A66-V102 HydrophobicContact CB-CG2 3.83Å; A66-R104 PolarHBondContact O-NE 3.33Å; A66-R104 PolarHBondContact O-NH2 3.4Å
67G92Very high92.2Very high32 Ų3244.9 Ų44.933%0.3322%0.215SC..THydrogen-bonded Turntrans51.733176.300000116.2F63 Q64F63-G67 PolarHBondContact O-N 3.04Å; Q64-G67 PolarHBondContact O-N 3.37Å
68G93.7Very high92.4Very high0 Ų042.5 Ų42.50%021%0.206CC..EExtended strand (participates in β ladder)trans-175.3-177.4-177.400000114F63 A66 F103F63-G68 WeakPolarHBondContact CB-O 3.2Å; F63-G68 PolarHBondContact N-O 3Å; F63-G68 PolarHBondContact O-N 3Å; A66-G68 VanDerWaalsContact C-N 3.25Å; A66-G68 PolarHBondContact O-N 3.41Å; A66-G68 VanDerWaalsContact O-N 3.08Å; G68-F103 CarbonylContact C-O 3.49Å; G68-F103 VanDerWaalsContact CA-O 3.29Å; G68-F103 WeakPolarHBondContact CA-O 3.49Å
69I94.3Very high92.7Very high4 Ų444.4 Ų44.42%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-84.3125.4-179.1-66.3173.5000110.4Q61 L71 V102 F103 V131 I165Q61-I69 WeakPolarHBondContact O-CA 3.38Å; I69-L71 HydrophobicContact CG2-CD2 4.28Å; I69-L71 PolarHBondContact O-N 2.81Å; I69-V102 CarbonylContact O-C 3.5Å; I69-V102 WeakPolarHBondContact O-CA 3.49Å; I69-F103 HydrophobicContact CB-CB 4.37Å; I69-F103 PolarHBondContact N-O 2.82Å; I69-F103 PolarHBondContact O-N 2.97Å; I69-V131 HydrophobicContact CD1-CB 4.32Å; I69-V131 HydrophobicContact CD1-CG1 4.06Å; I69-V131 HydrophobicContact CD1-CG2 3.51Å; I69-I165 HydrophobicContact CD1-CB 3.76Å; I69-I165 HydrophobicContact CD1-CG2 4.04Å; I69-I165 HydrophobicContact CG1-CB 4.2Å
70L94.2Very high92.7Very high0 Ų047.2 Ų47.20%023%0.227CC..EExtended strand (participates in β ladder)trans-71.2112.5176.7178.157.6000111.1V55 M59 H60 Q61 F63 A72 Y100 V102V55-L70 HydrophobicContact CG1-CD2 4.33Å; M59-L70 HydrophobicContact SD-CD2 4.08Å; M59-L70 HydrophobicContact SD-CG 3.99Å; H60-L70 VanDerWaalsContact CA-O 3.29Å; H60-L70 WeakPolarHBondContact CA-O 3.03Å; H60-L70 PolarHBondContact N-O 2.99Å; Q61-L70 PolarHBondContact O-N 2.99Å; Q61-L70 VanDerWaalsContact O-N 3.09Å; F63-L70 HydrophobicContact CB-CB 4.35Å; L70-A72 WeakPolarHBondContact CD1-O 3.37Å; L70-Y100 HydrophobicContact CD1-CD1 3.45Å; L70-Y100 VanDerWaalsContact CD1-CD1 3.45Å; L70-Y100 HydrophobicContact CD1-CE1 4.34Å; L70-Y100 HydrophobicContact CD1-CG 4.08Å; L70-Y100 HydrophobicContact CD2-CD1 4.07Å; L70-Y100 HydrophobicContact CD2-CE1 4.17Å; L70-Y100 HydrophobicContact CG-CD1 4.43Å; L70-V102 HydrophobicContact CD1-CG2 4.32Å
71L93.6Very high92.8Very high0 Ų057.9 Ų57.90%027%0.265CS..EExtended strand (participates in β ladder)trans-91.7-39.3-179.4-60.9-175.2000113.3V28 M59 I69 Y101 F103 I130 I192V28-L71 HydrophobicContact CB-CD1 4.48Å; V28-L71 HydrophobicContact CG1-CD1 4.02Å; V28-L71 HydrophobicContact CG2-CD1 3.61Å; M59-L71 WeakPolarHBondContact CE-O 3.46Å; I69-L71 HydrophobicContact CG2-CD2 4.28Å; I69-L71 PolarHBondContact O-N 2.81Å; L71-Y101 WeakPolarHBondContact CB-O 3.36Å; L71-Y101 PolarHBondContact N-O 2.87Å; L71-F103 HydrophobicContact CD1-CB 3.96Å; L71-F103 HydrophobicContact CD2-CB 4.01Å; L71-F103 HydrophobicContact CG-CB 3.95Å; L71-I130 HydrophobicContact CD2-CD1 4.02Å; L71-I192 HydrophobicContact CB-CD1 4.27Å; L71-I192 HydrophobicContact CD1-CD1 3.91Å; L71-I192 HydrophobicContact CD2-CD1 3.84Å; L71-I192 HydrophobicContact CG-CD1 4.24Å
72A94.3Very high92.5Very high0 Ų056.1 Ų56.10%026%0.26CS..EExtended strand (participates in β ladder)trans-162.5162.2-178.900000110A13 V14 L70 Y101A13-A72 HydrophobicContact CB-CB 4.46Å; V14-A72 HydrophobicContact CG2-CB 4.17Å; L70-A72 WeakPolarHBondContact CD1-O 3.37Å; A72-Y101 HydrophobicContact CB-CD2 4.11Å; A72-Y101 PolarHBondContact N-O 2.89Å; A72-Y101 PolarHBondContact O-N 2.81Å
73Y94.9Very high92.3Very high7 Ų753.7 Ų53.73%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-137.7155.4168.969-86.5000110.5N9 V14 H52 V55 D56 M59 V76 V98 R99N9-Y73 HydrophobicContact CB-CD1 4.16Å; N9-Y73 HydrophobicContact CB-CE1 3.59Å; N9-Y73 VanDerWaalsContact ND2-CD1 3.31Å; N9-Y73 WeakPolarHBondContact ND2-CD1 3.36Å; N9-Y73 WeakPolarHBondContact ND2-CE1 3.5Å; N9-Y73 VanDerWaalsContact ND2-CZ 3.26Å; N9-Y73 PolarHBondContact ND2-O 3.42Å; V14-Y73 WeakPolarHBondContact CG2-O 3.25Å; H52-Y73 AromaticContact CE1-CE2 3.85Å; H52-Y73 AromaticContact ND1-CE2 3.43Å; H52-Y73 WeakPolarHBondContact ND1-CE2 3.34Å; H52-Y73 AromaticContact ND1-CZ 3.66Å; H52-Y73 PolarHBondContact ND1-OH 3.3Å; H52-Y73 PolarHBondContact O-OH 2.7Å; V55-Y73 HydrophobicContact CB-CD1 4.38Å; V55-Y73 HydrophobicContact CB-CE1 4.02Å; V55-Y73 HydrophobicContact CG1-CD1 3.33Å; V55-Y73 HydrophobicContact CG1-CD2 4.1Å; V55-Y73 HydrophobicContact CG1-CE1 3.42Å; V55-Y73 VanDerWaalsContact CG1-CE1 3.42Å; V55-Y73 HydrophobicContact CG1-CE2 4.19Å; V55-Y73 HydrophobicContact CG1-CG 3.69Å; D56-Y73 WeakPolarHBondContact OD1-CE1 3.29Å; D56-Y73 PolarHBondContact OD1-OH 2.89Å; M59-Y73 HydrophobicContact CG-CE1 4.43Å; M59-Y73 HydrophobicContact SD-CD1 3.72Å; M59-Y73 HydrophobicContact SD-CE1 4.06Å; Y73-V76 HydrophobicContact CD2-CG2 4.05Å; Y73-V76 HydrophobicContact CE2-CG2 3.95Å; Y73-V98 HydrophobicContact CD2-CG1 4.03Å; Y73-V98 HydrophobicContact CG-CG1 4.31Å; Y73-R99 CarbonylContact C-O 3.52Å; Y73-R99 WeakPolarHBondContact CA-O 3.37Å; Y73-R99 WeakPolarHBondContact CB-O 3.39Å
74D93.1Very high92.3Very high40 Ų4054.1 Ų54.121%0.21426%0.255CS..EExtended strand (participates in β ladder)trans-142.5165.6179.9-164.32000109.2V14 R18 R99 Y101V14-D74 HydrophobicContact CG1-CB 3.93Å; R18-D74 IonicContact CZ-OD2 3.89Å; R18-D74 IonicContact NH2-OD2 2.7Å; R18-D74 PolarHBondContact NH2-OD2 2.92Å; D74-R99 PolarHBondContact N-O 2.91Å; D74-R99 WeakPolarHBondContact O-CB 3.35Å; D74-R99 PolarHBondContact O-N 2.77Å; D74-R99 VanDerWaalsContact O-N 3.16Å; D74-Y101 HydrophobicContact CB-CE2 4.13Å
75K90.7Very high92.3Very high109 Ų10947.4 Ų47.447%0.47423%0.225SC..EExtended strand (participates in β ladder)trans4675.9172.9-59.2-169.1179.3-166.90114.5Q77K75-Q77 PolarHBondContact O-N 2.96Å
76V93.5Very high91.9Very high30 Ų3045.2 Ų45.218%0.18221%0.212CC..EExtended strand (participates in β ladder)trans-78.2106.7170.2-177.20000108.4I51 Y73 V96 V98I51-V76 HydrophobicContact CG2-CG1 4.16Å; Y73-V76 HydrophobicContact CD2-CG2 4.05Å; Y73-V76 HydrophobicContact CE2-CG2 3.95Å; V76-V96 HydrophobicContact CB-CG1 4.45Å; V76-V96 HydrophobicContact CG1-CG1 3.33Å; V76-V98 HydrophobicContact CG1-CG2 4.33Å; V76-V98 HydrophobicContact CG2-CG1 4.35Å; V76-V98 HydrophobicContact CG2-CG2 4.38Å
77Q95.1Very high91.4Very high97 Ų9748.4 Ų48.445%0.45325%0.245SC..EExtended strand (participates in β ladder)trans-105.4126.7-178.4-69.7-179.7-21.900110.6K75 L79 V96 R97K75-Q77 PolarHBondContact O-N 2.96Å; Q77-L79 PolarHBondContact O-N 2.84Å; Q77-V96 CarbonylContact O-C 3.49Å; Q77-V96 VanDerWaalsContact O-CA 3.26Å; Q77-V96 WeakPolarHBondContact O-CA 3.45Å; Q77-V96 VanDerWaalsContact O-CG1 3.26Å; Q77-V96 WeakPolarHBondContact O-CG1 3.26Å; Q77-R97 HydrophobicContact CB-CB 4.2Å; Q77-R97 PolarHBondContact N-O 2.89Å; Q77-R97 PolarHBondContact O-N 3.49Å
78W93.8Very high91.1Very high98 Ų9851.9 Ų51.937%0.37126%0.264SS..EExtended strand (participates in β ladder)trans-77.2123.6176.4-60.777.3000109L47 K48 I51 Q80 V94 V96L47-W78 HydrophobicContact CB-CH2 3.53Å; L47-W78 HydrophobicContact CB-CZ3 4.11Å; L47-W78 HydrophobicContact CD1-CZ3 4.35Å; K48-W78 HydrophobicContact CB-CZ2 3.91Å; K48-W78 HydrophobicContact CG-CZ2 4.46Å; I51-W78 HydrophobicContact CD1-CH2 3.38Å; I51-W78 HydrophobicContact CD1-CZ2 3.93Å; I51-W78 HydrophobicContact CD1-CZ3 3.85Å; W78-Q80 VanDerWaalsContact C-N 3.34Å; W78-V94 HydrophobicContact CE3-CG1 3.49Å; W78-V94 VanDerWaalsContact CE3-CG1 3.49Å; W78-V94 HydrophobicContact CH2-CG1 4.19Å; W78-V94 HydrophobicContact CZ3-CB 4.4Å; W78-V94 HydrophobicContact CZ3-CG1 3.21Å; W78-V94 HydrophobicContact CZ3-CG2 4.38Å; W78-V96 HydrophobicContact CD2-CG2 4.44Å; W78-V96 HydrophobicContact CE3-CG2 4.32Å
79L94.6Very high90.6Very high75 Ų7556.2 Ų56.239%0.39329%0.288SS..SBendtrans-85-16.5177.7-64.4174.6000111.8D34 Q77 K95 R97D34-L79 HydrophobicContact CB-CD1 3.91Å; Q77-L79 PolarHBondContact O-N 2.84Å; L79-K95 HydrophobicContact CB-CB 4.11Å; L79-K95 WeakPolarHBondContact CB-O 3.18Å; L79-K95 HydrophobicContact CD1-CB 4.32Å; L79-K95 PolarHBondContact N-O 2.74Å; L79-R97 HydrophobicContact CD1-CB 4.29Å; L79-R97 HydrophobicContact CD2-CB 3.91Å; L79-R97 HydrophobicContact CG-CB 4.16Å
80Q90.9Very high90.1Very high62 Ų6260.3 Ų60.329%0.2931%0.314SS..SBendtrans-123.6145.9-179.1-66.4170.6-32.800110W78 A82 K95W78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-A82 WeakPolarHBondContact CB-O 3.48Å; Q80-A82 PolarHBondContact O-N 2.85Å; Q80-K95 HydrophobicContact CG-CB 4.18Å
81R88.4Confident89.9Confident252 Ų25260.9 Ų60.995%0.95132%0.32SS*.SBendtrans-71.2-19.7175.8-67.8-176.2177-177-0.5113
82A86.7Confident89.8Confident17 Ų1760.9 Ų60.914%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-149.7151.9-171.700000110.3Q80 T293 L294 T295Q80-A82 WeakPolarHBondContact CB-O 3.48Å; Q80-A82 PolarHBondContact O-N 2.85Å; A82-T293 HydrophobicContact CB-CG2 3.17Å; A82-L294 WeakPolarHBondContact CA-O 3.4Å; A82-L294 WeakPolarHBondContact CB-O 3.35Å; A82-T295 HydrophobicContact CB-CG2 3.91Å
83A88.5Confident89.8Confident3 Ų361.1 Ų61.13%0.02532%0.322CS..EExtended strand (participates in β ladder)trans-78.6146.4173.200000110.2L47 I92 V94 L294L47-A83 HydrophobicContact CD1-CB 4.21Å; A83-I92 HydrophobicContact CB-CG2 3.44Å; A83-I92 VanDerWaalsContact CB-CG2 3.44Å; A83-V94 HydrophobicContact CB-CG2 3.81Å; A83-L294 HydrophobicContact CB-CB 4.44Å; A83-L294 PolarHBondContact N-O 3.03Å; A83-L294 VanDerWaalsContact N-O 3.1Å; A83-L294 PolarHBondContact O-N 3.44Å
84V90.3Very high89.8Confident25 Ų2561 Ų6115%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-107129.6-176.9-177.90000109Y86 C93V84-Y86 HydrophobicContact CG1-CD1 4.46Å; V84-Y86 HydrophobicContact CG1-CE1 4.21Å; V84-C93 PolarHBondContact N-O 2.93Å; V84-C93 PolarHBondContact O-N 3.2Å
85V90.6Very high89.9Confident17 Ų1762.7 Ų62.710%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-104.2123.1170-1680000108.3W41 I92 L292 L294W41-V85 HydrophobicContact CH2-CG1 4.38Å; W41-V85 HydrophobicContact CZ2-CG1 4.39Å; V85-I92 HydrophobicContact CG2-CG1 4.01Å; V85-L292 HydrophobicContact CB-CB 4.49Å; V85-L292 PolarHBondContact N-O 3.3Å; V85-L292 PolarHBondContact O-N 3.14Å; V85-L294 HydrophobicContact CG2-CD1 3.94Å; V85-L294 HydrophobicContact CG2-CG 4.34Å
86Y85.3Confident90.2Very high80 Ų8057.5 Ų57.531%0.31430%0.304SS..EExtended strand (participates in β ladder)trans-82.2132.3175.5-65.2-65.8000109.4E36 V84 S88 D89 C93E36-Y86 PolarHBondContact OE1-OH 3.26Å; E36-Y86 VanDerWaalsContact OE1-OH 3.07Å; V84-Y86 HydrophobicContact CG1-CD1 4.46Å; V84-Y86 HydrophobicContact CG1-CE1 4.21Å; Y86-S88 PolarHBondContact O-N 3.17Å; Y86-D89 PolarHBondContact O-N 2.85Å; Y86-C93 HydrophobicContact CD2-CB 4.28Å; Y86-C93 HydrophobicContact CE2-CB 3.68Å; Y86-C93 WeakPolarHBondContact CE2-SG 3.4Å
87G81.3Confident90.3Very high68 Ų6860.4 Ų60.470%0.70131%0.312SS*.THydrogen-bonded Turntrans-58.1-24.8-167.500000116.7R290G87-R290 PolarHBondContact N-O 3.46Å
88S84.8Confident90.4Very high106 Ų10655.8 Ų55.874%0.74129%0.29SS*.THydrogen-bonded Turntrans-96-19.2177.151.50000113.9Y86Y86-S88 PolarHBondContact O-N 3.17Å
89D83.4Confident90.5Very high91 Ų9153.1 Ų53.149%0.48728%0.28SS..  trans-109.3126.7-173.8-66.8-44.1000110.1Y86 G91Y86-D89 PolarHBondContact O-N 2.85Å; D89-G91 PolarHBondContact O-N 3.39Å
90P84.8Confident90.6Very high90 Ų9049.6 Ų49.658%0.58426%0.262SS*.  trans-68.75173.930.3-35.2000112.8W41W41-P90 PolarHBondContact NE1-O 2.85Å
91G89.7Confident90.8Very high11 Ų1146.8 Ų46.811%0.11325%0.249CC..  trans-81.1138.8179.100000112.2D89D89-G91 PolarHBondContact O-N 3.39Å
92I91.9Very high91.2Very high0 Ų034.8 Ų34.80%020%0.203CC..EExtended strand (participates in β ladder)trans-102.6110.1176.8-61.5171.8000107.6L39 W41 T44 A83 V85 L294L39-I92 HydrophobicContact CB-CB 4.4Å; L39-I92 PolarHBondContact N-O 2.97Å; L39-I92 PolarHBondContact O-N 3.49Å; W41-I92 HydrophobicContact CD2-CD1 4.26Å; W41-I92 HydrophobicContact CE3-CD1 3.75Å; W41-I92 HydrophobicContact CH2-CD1 4.38Å; W41-I92 HydrophobicContact CZ3-CD1 3.82Å; W41-I92 HydrophobicContact CZ3-CG1 4.49Å; T44-I92 HydrophobicContact CG2-CD1 2.96Å; T44-I92 HydrophobicContact CG2-CG1 4.42Å; A83-I92 HydrophobicContact CB-CG2 3.44Å; A83-I92 VanDerWaalsContact CB-CG2 3.44Å; V85-I92 HydrophobicContact CG2-CG1 4.01Å; I92-L294 HydrophobicContact CD1-CD1 4.2Å; I92-L294 HydrophobicContact CG2-CD1 4.45Å
93C93.6Very high91.6Very high6 Ų634 Ų344%0.04120%0.197CC..EExtended strand (participates in β ladder)trans-90.3130.7-175.4-680000111.1E36 F37 V84 Y86E36-C93 HydrophobicContact CG-CB 4.24Å; E36-C93 WeakPolarHBondContact OE1-CB 3.24Å; F37-C93 WeakPolarHBondContact O-CA 3.31Å; V84-C93 PolarHBondContact N-O 2.93Å; V84-C93 PolarHBondContact O-N 3.2Å; Y86-C93 HydrophobicContact CD2-CB 4.28Å; Y86-C93 HydrophobicContact CE2-CB 3.68Å; Y86-C93 WeakPolarHBondContact CE2-SG 3.4Å
94V94.7Very high91.9Very high3 Ų337.8 Ų37.82%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-130.3122.7179-175.30000109.5E36 F37 L39 I51 W78 A83 V96E36-V94 WeakPolarHBondContact CA-O 3.37Å; F37-V94 PolarHBondContact N-O 3.17Å; F37-V94 PolarHBondContact O-N 3.48Å; L39-V94 HydrophobicContact CD1-CG2 3.94Å; I51-V94 HydrophobicContact CD1-CB 4.31Å; I51-V94 HydrophobicContact CD1-CG1 3.88Å; W78-V94 HydrophobicContact CE3-CG1 3.49Å; W78-V94 VanDerWaalsContact CE3-CG1 3.49Å; W78-V94 HydrophobicContact CH2-CG1 4.19Å; W78-V94 HydrophobicContact CZ3-CB 4.4Å; W78-V94 HydrophobicContact CZ3-CG1 3.21Å; W78-V94 HydrophobicContact CZ3-CG2 4.38Å; A83-V94 HydrophobicContact CB-CG2 3.81Å; V94-V96 HydrophobicContact CG1-CG2 3.69Å
95K95.7Very high91.9Very high77 Ų7736.9 Ų36.934%0.33521%0.205SC..EExtended strand (participates in β ladder)trans-91.3126.4172.3-61.8-172.2-178.8-1780111.8R35 E36 L79 Q80R35-K95 CarbonylContact O-C 3.56Å; R35-K95 WeakPolarHBondContact O-CA 3.27Å; E36-K95 HydrophobicContact CB-CG 4.28Å; E36-K95 HydrophobicContact CG-CG 4.2Å; E36-K95 WeakPolarHBondContact OE2-CE 3.4Å; E36-K95 IonicContact OE2-NZ 2.83Å; L79-K95 HydrophobicContact CB-CB 4.11Å; L79-K95 WeakPolarHBondContact CB-O 3.18Å; L79-K95 HydrophobicContact CD1-CB 4.32Å; L79-K95 PolarHBondContact N-O 2.74Å; Q80-K95 HydrophobicContact CG-CB 4.18Å
96V96.1Very high92Very high0 Ų039.8 Ų39.80%023%0.226CC..EExtended strand (participates in β ladder)trans-139.5136.5-175.7176.70000110.8R35 F37 I51 V76 Q77 W78 V94 V98R35-V96 PolarHBondContact N-O 3.23Å; R35-V96 PolarHBondContact O-N 3.47Å; F37-V96 HydrophobicContact CD2-CB 4.32Å; F37-V96 HydrophobicContact CD2-CG2 4.44Å; F37-V96 HydrophobicContact CE2-CB 4.2Å; I51-V96 HydrophobicContact CD1-CG2 3.72Å; V76-V96 HydrophobicContact CB-CG1 4.45Å; V76-V96 HydrophobicContact CG1-CG1 3.33Å; Q77-V96 CarbonylContact O-C 3.49Å; Q77-V96 VanDerWaalsContact O-CA 3.26Å; Q77-V96 WeakPolarHBondContact O-CA 3.45Å; Q77-V96 VanDerWaalsContact O-CG1 3.26Å; Q77-V96 WeakPolarHBondContact O-CG1 3.26Å; W78-V96 HydrophobicContact CD2-CG2 4.44Å; W78-V96 HydrophobicContact CE3-CG2 4.32Å; V94-V96 HydrophobicContact CG1-CG2 3.69Å; V96-V98 HydrophobicContact CG1-CG2 3.63Å
97R96.7Very high92.5Very high90 Ų9039.6 Ų39.634%0.3423%0.233SC..EExtended strand (participates in β ladder)trans-91.6125167.2178.3170.3-65.2173.22.8109.7D34 Q77 L79D34-R97 WeakPolarHBondContact OD1-CB 3.37Å; D34-R97 VanDerWaalsContact OD1-CG 3.23Å; D34-R97 WeakPolarHBondContact OD1-CG 3.49Å; D34-R97 IonicContact OD1-CZ 2.69Å; D34-R97 IonicContact OD1-NE 3.67Å; D34-R97 PolarHBondContact OD1-NE 2.89Å; D34-R97 IonicContact OD1-NH2 3.4Å; D34-R97 PolarHBondContact OD1-NH2 3.49Å; D34-R97 IonicContact OD2-CZ 3.12Å; D34-R97 IonicContact OD2-NE 2.75Å; D34-R97 IonicContact OD2-NH2 2.7Å; D34-R97 PolarHBondContact OD2-NH2 3.33Å; Q77-R97 HydrophobicContact CB-CB 4.2Å; Q77-R97 PolarHBondContact N-O 2.89Å; Q77-R97 PolarHBondContact O-N 3.49Å; L79-R97 HydrophobicContact CD1-CB 4.29Å; L79-R97 HydrophobicContact CD2-CB 3.91Å; L79-R97 HydrophobicContact CG-CB 4.16Å
98V96Very high93Very high0 Ų041.5 Ų41.50%023%0.227CC..EExtended strand (participates in β ladder)trans-124.4134.7179.3-174.90000109.7E32 L33 Y73 V76 V96 Y100E32-V98 WeakPolarHBondContact CA-O 3.48Å; L33-V98 PolarHBondContact N-O 3.04Å; L33-V98 PolarHBondContact O-N 3.03Å; Y73-V98 HydrophobicContact CD2-CG1 4.03Å; Y73-V98 HydrophobicContact CG-CG1 4.31Å; V76-V98 HydrophobicContact CG1-CG2 4.33Å; V76-V98 HydrophobicContact CG2-CG1 4.35Å; V76-V98 HydrophobicContact CG2-CG2 4.38Å; V96-V98 HydrophobicContact CG1-CG2 3.63Å; V98-Y100 HydrophobicContact CB-CD2 4.34Å; V98-Y100 HydrophobicContact CB-CE1 4.09Å; V98-Y100 HydrophobicContact CB-CE2 3.62Å; V98-Y100 VanDerWaalsContact CB-CZ 3.48Å; V98-Y100 WeakPolarHBondContact CB-OH 3.43Å; V98-Y100 HydrophobicContact CG1-CD1 4.01Å; V98-Y100 HydrophobicContact CG1-CD2 4.39Å; V98-Y100 HydrophobicContact CG1-CE1 3.52Å; V98-Y100 HydrophobicContact CG1-CE2 3.92Å; V98-Y100 HydrophobicContact CG1-CG 4.44Å; V98-Y100 VanDerWaalsContact CG1-CZ 3.47Å; V98-Y100 WeakPolarHBondContact O-CD2 3.48Å
99R96.3Very high93.4Very high43 Ų4337.3 Ų37.316%0.16220%0.199CC..EExtended strand (participates in β ladder)trans-89.7113.7172.5179.7-174.5-67.7-171.6-2.2109.8R30 E32 Y73 D74R30-R99 HydrophobicContact CG-CG 3.99Å; E32-R99 HydrophobicContact CG-CB 4.04Å; E32-R99 HydrophobicContact CG-CG 4.07Å; E32-R99 IonicContact OE1-CZ 3.2Å; E32-R99 IonicContact OE1-NE 2.69Å; E32-R99 PolarHBondContact OE1-NE 3.4Å; E32-R99 IonicContact OE1-NH2 2.83Å; E32-R99 PolarHBondContact OE1-NH2 2.78Å; Y73-R99 CarbonylContact C-O 3.52Å; Y73-R99 WeakPolarHBondContact CA-O 3.37Å; Y73-R99 WeakPolarHBondContact CB-O 3.39Å; D74-R99 PolarHBondContact N-O 2.91Å; D74-R99 WeakPolarHBondContact O-CB 3.35Å; D74-R99 PolarHBondContact O-N 2.77Å; D74-R99 VanDerWaalsContact O-N 3.16Å
100Y96.3Very high93.9Very high1 Ų133.5 Ų33.50%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-101149.2178.7-60.2-71.9000111.7R30 C31 L33 R35 V55 F63 L70 V98R30-Y100 WeakPolarHBondContact CA-O 3.38Å; C31-Y100 PolarHBondContact N-O 3.22Å; C31-Y100 PolarHBondContact O-N 3.38Å; L33-Y100 HydrophobicContact CB-CD2 4.14Å; L33-Y100 HydrophobicContact CB-CE2 3.98Å; L33-Y100 HydrophobicContact CD1-CD2 4.06Å; L33-Y100 HydrophobicContact CD1-CE2 4.27Å; L33-Y100 HydrophobicContact CG-CD2 4.24Å; L33-Y100 HydrophobicContact CG-CE2 4.5Å; R35-Y100 WeakPolarHBondContact CD-OH 3.44Å; R35-Y100 PolarHBondContact NE-OH 2.86Å; V55-Y100 HydrophobicContact CG1-CE1 3.83Å; F63-Y100 HydrophobicContact CE1-CD1 4.07Å; F63-Y100 HydrophobicContact CE1-CD2 4.05Å; F63-Y100 AromaticContact CE1-CE1 3.95Å; F63-Y100 HydrophobicContact CE1-CE1 3.95Å; F63-Y100 AromaticContact CE1-CE2 3.94Å; F63-Y100 HydrophobicContact CE1-CE2 3.94Å; F63-Y100 HydrophobicContact CE1-CG 4.1Å; F63-Y100 AromaticContact CE1-CZ 3.88Å; F63-Y100 HydrophobicContact CZ-CE1 4.08Å; F63-Y100 HydrophobicContact CZ-CE2 4.31Å; F63-Y100 AromaticContact CZ-CZ 3.9Å; L70-Y100 HydrophobicContact CD1-CD1 3.45Å; L70-Y100 VanDerWaalsContact CD1-CD1 3.45Å; L70-Y100 HydrophobicContact CD1-CE1 4.34Å; L70-Y100 HydrophobicContact CD1-CG 4.08Å; L70-Y100 HydrophobicContact CD2-CD1 4.07Å; L70-Y100 HydrophobicContact CD2-CE1 4.17Å; L70-Y100 HydrophobicContact CG-CD1 4.43Å; V98-Y100 HydrophobicContact CB-CD2 4.34Å; V98-Y100 HydrophobicContact CB-CE1 4.09Å; V98-Y100 HydrophobicContact CB-CE2 3.62Å; V98-Y100 VanDerWaalsContact CB-CZ 3.48Å; V98-Y100 WeakPolarHBondContact CB-OH 3.43Å; V98-Y100 HydrophobicContact CG1-CD1 4.01Å; V98-Y100 HydrophobicContact CG1-CD2 4.39Å; V98-Y100 HydrophobicContact CG1-CE1 3.52Å; V98-Y100 HydrophobicContact CG1-CE2 3.92Å; V98-Y100 HydrophobicContact CG1-CG 4.44Å; V98-Y100 VanDerWaalsContact CG1-CZ 3.47Å; V98-Y100 WeakPolarHBondContact O-CD2 3.48Å
101Y96.3Very high94.3Very high3 Ų329.4 Ų29.41%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-112.9113.7166-64.2-83.6000107.8V14 R18 A21 T29 R30 L71 A72 D74V14-Y101 HydrophobicContact CG1-CE2 4.18Å; R18-Y101 HydrophobicContact CB-CE1 3.94Å; R18-Y101 HydrophobicContact CG-CE1 4.28Å; R18-Y101 WeakPolarHBondContact CG-OH 3.34Å; R18-Y101 PolarHBondContact NE-OH 3.35Å; A21-Y101 HydrophobicContact CB-CD1 4.02Å; A21-Y101 HydrophobicContact CB-CE1 4.2Å; T29-Y101 WeakPolarHBondContact O-CA 3.4Å; R30-Y101 HydrophobicContact CB-CD1 4.43Å; R30-Y101 HydrophobicContact CB-CE1 4.34Å; R30-Y101 HydrophobicContact CG-CE1 4.16Å; L71-Y101 WeakPolarHBondContact CB-O 3.36Å; L71-Y101 PolarHBondContact N-O 2.87Å; A72-Y101 HydrophobicContact CB-CD2 4.11Å; A72-Y101 PolarHBondContact N-O 2.89Å; A72-Y101 PolarHBondContact O-N 2.81Å; D74-Y101 HydrophobicContact CB-CE2 4.13Å
102V95.7Very high94.5Very high0 Ų029.1 Ų29.10%015%0.148CC..EExtended strand (participates in β ladder)trans-123.3130-167.7-175.80000109.4V28 T29 A66 I69 L70 R104V28-V102 WeakPolarHBondContact CA-O 3.28Å; T29-V102 PolarHBondContact N-O 3.04Å; T29-V102 PolarHBondContact O-N 2.9Å; T29-V102 PolarHBondContact OG1-O 3.08Å; A66-V102 HydrophobicContact CB-CG1 4.17Å; A66-V102 HydrophobicContact CB-CG2 3.83Å; I69-V102 CarbonylContact O-C 3.5Å; I69-V102 WeakPolarHBondContact O-CA 3.49Å; L70-V102 HydrophobicContact CD1-CG2 4.32Å; V102-R104 HydrophobicContact CB-CG 4.45Å; V102-R104 HydrophobicContact CG1-CG 3.91Å; V102-R104 PolarHBondContact O-N 2.9Å
103F95.6Very high94.6Very high0 Ų029.1 Ų29.10%015%0.148CC..EExtended strand (participates in β ladder)trans-80.6109.3170.6180-108.7000109.5G27 V28 G68 I69 L71 P105 L111 V127 Y128 V131 L167G27-F103 CarbonylContact O-C 3.53Å; G27-F103 WeakPolarHBondContact O-CA 3.44Å; G27-F103 WeakPolarHBondContact O-CD2 3.22Å; V28-F103 HydrophobicContact CG2-CD2 4.15Å; G68-F103 CarbonylContact C-O 3.49Å; G68-F103 VanDerWaalsContact CA-O 3.29Å; G68-F103 WeakPolarHBondContact CA-O 3.49Å; I69-F103 HydrophobicContact CB-CB 4.37Å; I69-F103 PolarHBondContact N-O 2.82Å; I69-F103 PolarHBondContact O-N 2.97Å; L71-F103 HydrophobicContact CD1-CB 3.96Å; L71-F103 HydrophobicContact CD2-CB 4.01Å; L71-F103 HydrophobicContact CG-CB 3.95Å; F103-P105 HydrophobicContact CD1-CG 4.48Å; F103-P105 HydrophobicContact CE1-CB 3.99Å; F103-P105 HydrophobicContact CE1-CG 3.93Å; F103-P105 HydrophobicContact CZ-CB 3.92Å; F103-P105 HydrophobicContact CZ-CG 4.38Å; F103-L111 HydrophobicContact CE2-CD1 4.29Å; F103-L111 HydrophobicContact CZ-CD1 3.76Å; F103-V127 HydrophobicContact CE2-CG1 4.49Å; F103-V127 HydrophobicContact CZ-CG1 4.26Å; F103-Y128 HydrophobicContact CD2-CD2 4.07Å; F103-Y128 AromaticContact CD2-CE2 3.71Å; F103-Y128 HydrophobicContact CD2-CE2 3.71Å; F103-Y128 HydrophobicContact CE2-CD2 4.18Å; F103-Y128 AromaticContact CE2-CE2 3.65Å; F103-Y128 HydrophobicContact CE2-CE2 3.65Å; F103-V131 HydrophobicContact CD1-CG2 3.74Å; F103-V131 HydrophobicContact CE1-CB 4.34Å; F103-V131 HydrophobicContact CE1-CG1 4.14Å; F103-V131 HydrophobicContact CE1-CG2 3.91Å; F103-L167 HydrophobicContact CE1-CD1 4.26Å; F103-L167 HydrophobicContact CZ-CD1 4.27Å
104R94.4Very high94.6Very high83 Ų8333.9 Ų33.931%0.31317%0.168SC..  trans-117.990.2178.3-64.2-175.7-178.5162.9-8.3108.1G27 T29 A66 V102 S106G27-R104 CarbonylContact O-C 3.56Å; G27-R104 PolarHBondContact O-N 2.99Å; T29-R104 WeakPolarHBondContact OG1-CD 3.13Å; A66-R104 PolarHBondContact O-NE 3.33Å; A66-R104 PolarHBondContact O-NH2 3.4Å; V102-R104 HydrophobicContact CB-CG 4.45Å; V102-R104 HydrophobicContact CG1-CG 3.91Å; V102-R104 PolarHBondContact O-N 2.9Å; R104-S106 PolarHBondContact O-N 2.9Å
105P91.6Very high94.6Very high6 Ų633.9 Ų33.94%0.03917%0.168CC..PPolyproline II helixtrans-67.8130.8175.630-33.8000109.3F103 L111 Y158 I165 L167F103-P105 HydrophobicContact CD1-CG 4.48Å; F103-P105 HydrophobicContact CE1-CB 3.99Å; F103-P105 HydrophobicContact CE1-CG 3.93Å; F103-P105 HydrophobicContact CZ-CB 3.92Å; F103-P105 HydrophobicContact CZ-CG 4.38Å; P105-L111 HydrophobicContact CB-CD1 4.43Å; P105-Y158 HydrophobicContact CG-CD1 4.23Å; P105-Y158 HydrophobicContact CG-CG 4.27Å; P105-Y158 WeakPolarHBondContact O-CE1 3.15Å; P105-I165 HydrophobicContact CG-CD1 4.49Å; P105-L167 HydrophobicContact CB-CD2 3.89Å; P105-L167 HydrophobicContact CG-CD2 3.63Å
106S92.7Very high94.5Very high77 Ų7732.1 Ų32.154%0.53817%0.168SC..PPolyproline II helixtrans-88.2150.3168.7-55.80000110R104 A109R104-S106 PolarHBondContact O-N 2.9Å; S106-A109 WeakPolarHBondContact O-CB 3.41Å; S106-A109 PolarHBondContact O-N 2.83Å
107V94.1Very high94.4Very high77 Ų7737.1 Ų37.147%0.46719%0.19SC..THydrogen-bonded Turntrans-61142.5164.6-177.50000108A109 R156 Y158V107-A109 PolarHBondContact O-N 2.69Å; V107-A109 VanDerWaalsContact O-N 3.14Å; V107-R156 WeakPolarHBondContact CG1-O 3.21Å; V107-Y158 HydrophobicContact CG2-CE1 4.46Å
108D93.4Very high94.2Very high107 Ų10735.3 Ų35.357%0.57219%0.188SC*.THydrogen-bonded Turntrans65.73.1-173.6-58-50.6000116.4L110 V155D108-L110 PolarHBondContact O-N 2.75Å; D108-V155 WeakPolarHBondContact CA-O 3.15Å; D108-V155 PolarHBondContact N-O 2.86Å
109A92.4Very high94Very high18 Ų1837.4 Ų37.415%0.14920%0.202CC..  trans-64.4135.7171.900000111.2S106 V107 V155S106-A109 WeakPolarHBondContact O-CB 3.41Å; S106-A109 PolarHBondContact O-N 2.83Å; V107-A109 PolarHBondContact O-N 2.69Å; V107-A109 VanDerWaalsContact O-N 3.14Å; A109-V155 WeakPolarHBondContact O-CG2 3.32Å; A109-V155 PolarHBondContact O-N 2.69Å
110L93.1Very high93.5Very high12 Ų1241.1 Ų41.16%0.06323%0.234CC..EExtended strand (participates in β ladder)trans-86.4115171-78.6163.1000110.1D108 R154 V172 N180 C182D108-L110 PolarHBondContact O-N 2.75Å; L110-R154 HydrophobicContact CD2-CB 4.08Å; L110-V172 HydrophobicContact CD2-CB 4.22Å; L110-V172 HydrophobicContact CD2-CG1 4.12Å; L110-V172 HydrophobicContact CD2-CG2 3.97Å; L110-N180 HydrophobicContact CD1-CB 3.19Å; L110-C182 HydrophobicContact CB-CB 4.37Å
111L93.9Very high93.2Very high3 Ų344.4 Ų44.42%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-118.7166.1179.3-63.8179.8000110.8F103 P105 W152 F153 V155 L167F103-L111 HydrophobicContact CE2-CD1 4.29Å; F103-L111 HydrophobicContact CZ-CD1 3.76Å; P105-L111 HydrophobicContact CB-CD1 4.43Å; L111-W152 WeakPolarHBondContact O-CA 3.43Å; L111-F153 HydrophobicContact CB-CE1 4.13Å; L111-F153 HydrophobicContact CB-CE2 4.06Å; L111-F153 HydrophobicContact CB-CZ 3.78Å; L111-F153 HydrophobicContact CD1-CE2 4.45Å; L111-F153 HydrophobicContact CD1-CZ 4.41Å; L111-F153 PolarHBondContact N-O 2.74Å; L111-F153 PolarHBondContact O-N 3.04Å; L111-V155 HydrophobicContact CD1-CG2 3.59Å; L111-V155 HydrophobicContact CG-CG2 4.06Å; L111-L167 HydrophobicContact CD1-CD1 3.94Å
112S93.3Very high93.1Very high5 Ų545.9 Ų45.94%0.03526%0.264CS..EExtended strand (participates in β ladder)trans-125.2144.8172.250.80000110.1I151 P185 Y186 G187S112-I151 CarbonylContact C-O 3.52Å; S112-I151 WeakPolarHBondContact CA-O 3.29Å; S112-P185 WeakPolarHBondContact OG-CA 3.28Å; S112-Y186 PolarHBondContact OG-N 2.9Å; S112-G187 CarbonylContact O-C 3.56Å; S112-G187 WeakPolarHBondContact O-CA 3.13Å; S112-G187 PolarHBondContact OG-N 2.64Å; S112-G187 VanDerWaalsContact OG-N 3.09Å
113G93.9Very high93Very high0 Ų045.9 Ų45.90%026%0.264CS..EExtended strand (participates in β ladder)trans-136.9163.8177.500000111.3K126 P150 I151G113-K126 WeakPolarHBondContact CA-O 3.4Å; G113-P150 WeakPolarHBondContact O-CA 3.32Å; G113-I151 PolarHBondContact N-O 2.91Å; G113-I151 PolarHBondContact O-N 3.08Å
114K94.2Very high93Very high106 Ų10646.5 Ų46.546%0.46127%0.269SS..EExtended strand (participates in β ladder)trans-90.2122.8168.9-173.8169.9-179.4170.70108.8A116 C125 K126 G148 C188K114-A116 PolarHBondContact O-N 3.32Å; K114-C125 CarbonylContact O-C 3.55Å; K114-C125 VanDerWaalsContact O-CA 3.24Å; K114-C125 WeakPolarHBondContact O-CA 3.37Å; K114-C125 VanDerWaalsContact O-CB 3.31Å; K114-C125 WeakPolarHBondContact O-CB 3.34Å; K114-K126 PolarHBondContact N-O 2.87Å; K114-K126 PolarHBondContact O-N 2.76Å; K114-G148 VanDerWaalsContact CE-O 3.25Å; K114-G148 WeakPolarHBondContact CE-O 3.31Å; K114-C188 HydrophobicContact CB-CB 4.36Å
115V95.2Very high93Very high3 Ų342.7 Ų42.72%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-58.1125.3176.81780000109.2V118 V123 R146 G148 E149 I151V115-V118 HydrophobicContact CG1-CG2 3.71Å; V115-V123 HydrophobicContact CB-CG1 4.34Å; V115-V123 HydrophobicContact CG1-CG1 3.73Å; V115-V123 HydrophobicContact CG2-CG1 3.91Å; V115-R146 WeakPolarHBondContact CB-O 3.4Å; V115-G148 PolarHBondContact O-N 2.87Å; V115-E149 WeakPolarHBondContact CG2-O 3.05Å; V115-E149 PolarHBondContact N-O 2.75Å; V115-I151 HydrophobicContact CG2-CB 3.88Å; V115-I151 HydrophobicContact CG2-CG2 3.88Å
116A93.9Very high93.1Very high41 Ų4147.2 Ų47.234%0.33927%0.274SS..EExtended strand (participates in β ladder)trans-97.8-44.2179.600000111.2K114 A124 T147K114-A116 PolarHBondContact O-N 3.32Å; A116-A124 PolarHBondContact N-O 2.96Å; A116-T147 VanDerWaalsContact O-CG2 3.28Å; A116-T147 WeakPolarHBondContact O-CG2 3.14Å
117F92.9Very high93.2Very high105 Ų10543.6 Ų43.646%0.46125%0.249SC..EExtended strand (participates in β ladder)trans-158.6159.4170.861.9-91.3000109.7T119 A124F117-T119 HydrophobicContact CD2-CG2 3.76Å; F117-T119 HydrophobicContact CE2-CG2 3.7Å; F117-A124 HydrophobicContact CD1-CB 3.68Å; F117-A124 HydrophobicContact CD2-CB 3.96Å; F117-A124 HydrophobicContact CE1-CB 3.27Å; F117-A124 HydrophobicContact CE2-CB 3.57Å; F117-A124 HydrophobicContact CG-CB 4.01Å; F117-A124 HydrophobicContact CZ-CB 3.21Å; F117-A124 PolarHBondContact N-O 3.42Å; F117-A124 PolarHBondContact O-N 2.85Å
118V92.8Very high93Very high51 Ų5140.1 Ų40.131%0.30923%0.227SC..EExtended strand (participates in β ladder)trans-119.2135.5179.8-177.90000107.9V115 V123V115-V118 HydrophobicContact CG1-CG2 3.71Å; V118-V123 HydrophobicContact CG1-CG2 4.12Å; V118-V123 HydrophobicContact CG2-CG1 4.43Å; V118-V123 HydrophobicContact CG2-CG2 4.18Å
119T91Very high92.8Very high45 Ų4536.2 Ų36.228%0.27621%0.213SC..  trans-119.5171.8172.670.10000109.2F117 S121 H122 F137F117-T119 HydrophobicContact CD2-CG2 3.76Å; F117-T119 HydrophobicContact CE2-CG2 3.7Å; T119-S121 PolarHBondContact O-N 2.82Å; T119-S121 VanDerWaalsContact O-N 3.17Å; T119-S121 PolarHBondContact OG1-N 3.2Å; T119-H122 PolarHBondContact N-O 3.46Å; T119-H122 PolarHBondContact OG1-CE1 2.84Å; T119-H122 VanDerWaalsContact OG1-CE1 3.27Å; T119-H122 PolarHBondContact OG1-N 2.8Å; T119-H122 PolarHBondContact OG1-ND1 3.25Å; T119-H122 PolarHBondContact OG1-O 3.36Å; T119-F137 WeakPolarHBondContact O-CZ 3.45Å
120S87.8Confident92.7Very high121 Ų12136.9 Ų36.985%0.84621%0.213SC*.SBendtrans-61.4-20.2175.754.30000114.4
121S89.8Confident92.7Very high69 Ų6936.4 Ų36.448%0.48321%0.211SC..SBendtrans-116.5-22.1-173.759.40000115T119T119-S121 PolarHBondContact O-N 2.82Å; T119-S121 VanDerWaalsContact O-N 3.17Å; T119-S121 PolarHBondContact OG1-N 3.2Å
122H93Very high92.7Very high34 Ų3439.2 Ų39.216%0.15723%0.231CC..  trans-159.9153.8-176.463.7-78.4000112.1T119 R134 I135 F137T119-H122 PolarHBondContact N-O 3.46Å; T119-H122 PolarHBondContact OG1-CE1 2.84Å; T119-H122 VanDerWaalsContact OG1-CE1 3.27Å; T119-H122 PolarHBondContact OG1-N 2.8Å; T119-H122 PolarHBondContact OG1-ND1 3.25Å; T119-H122 PolarHBondContact OG1-O 3.36Å; H122-R134 HydrophobicContact CB-CG 3.99Å; H122-I135 CarbonylContact C-O 3.53Å; H122-I135 VanDerWaalsContact CA-O 3.27Å; H122-I135 WeakPolarHBondContact CA-O 3.36Å; H122-I135 WeakPolarHBondContact CB-O 3.45Å; H122-F137 VanDerWaalsContact CA-CE1 3.46Å
123V94.3Very high92.8Very high0 Ų039.2 Ų39.20%023%0.231CC..EExtended strand (participates in β ladder)trans-97.3128.4169.3175.90000108.4V115 V118 I135 F137 Y145 I151V115-V123 HydrophobicContact CB-CG1 4.34Å; V115-V123 HydrophobicContact CG1-CG1 3.73Å; V115-V123 HydrophobicContact CG2-CG1 3.91Å; V118-V123 HydrophobicContact CG1-CG2 4.12Å; V118-V123 HydrophobicContact CG2-CG1 4.43Å; V118-V123 HydrophobicContact CG2-CG2 4.18Å; V123-I135 HydrophobicContact CB-CB 4.35Å; V123-I135 PolarHBondContact N-O 3.48Å; V123-I135 PolarHBondContact O-N 3.41Å; V123-F137 HydrophobicContact CB-CD1 4.41Å; V123-F137 HydrophobicContact CB-CE1 4.47Å; V123-F137 HydrophobicContact CG2-CD1 3.65Å; V123-F137 HydrophobicContact CG2-CE1 3.6Å; V123-Y145 HydrophobicContact CG2-CD2 3.68Å; V123-Y145 HydrophobicContact CG2-CE2 4.33Å; V123-Y145 HydrophobicContact CG2-CG 3.83Å; V123-I151 HydrophobicContact CB-CD1 4.06Å; V123-I151 HydrophobicContact CG1-CD1 3.93Å; V123-I151 HydrophobicContact CG2-CD1 4.29Å
124A95.3Very high92.9Very high13 Ų1345.1 Ų45.111%0.10725%0.253CS..EExtended strand (participates in β ladder)trans-93.6129.216800000109.4A116 F117 A133A116-A124 PolarHBondContact N-O 2.96Å; F117-A124 HydrophobicContact CD1-CB 3.68Å; F117-A124 HydrophobicContact CD2-CB 3.96Å; F117-A124 HydrophobicContact CE1-CB 3.27Å; F117-A124 HydrophobicContact CE2-CB 3.57Å; F117-A124 HydrophobicContact CG-CB 4.01Å; F117-A124 HydrophobicContact CZ-CB 3.21Å; F117-A124 PolarHBondContact N-O 3.42Å; F117-A124 PolarHBondContact O-N 2.85Å; A124-A133 WeakPolarHBondContact CA-O 3.34Å
125C94.8Very high93Very high3 Ų340 Ų402%0.0223%0.231CC..EExtended strand (participates in β ladder)trans-132.5160.9177.473.50000112.1K114 A133 I151K114-C125 CarbonylContact O-C 3.55Å; K114-C125 VanDerWaalsContact O-CA 3.24Å; K114-C125 WeakPolarHBondContact O-CA 3.37Å; K114-C125 VanDerWaalsContact O-CB 3.31Å; K114-C125 WeakPolarHBondContact O-CB 3.34Å; C125-A133 PolarHBondContact N-O 3.09Å; C125-A133 PolarHBondContact O-N 3.1Å; C125-I151 HydrophobicContact CB-CG2 3.67Å
126K94.1Very high92.9Very high102 Ų10242.4 Ų42.444%0.44325%0.248SC..EExtended strand (participates in β ladder)trans-111.1123.4174.4-70.3-169.2176.4-174.40110.7G113 K114 V131G113-K126 WeakPolarHBondContact CA-O 3.4Å; K114-K126 PolarHBondContact N-O 2.87Å; K114-K126 PolarHBondContact O-N 2.76Å; K126-V131 CarbonylContact C-O 3.54Å; K126-V131 VanDerWaalsContact CA-O 3.31Å; K126-V131 WeakPolarHBondContact CA-O 3.28Å
127V93.6Very high92.8Very high0 Ų041.9 Ų41.90%024%0.238CC..EExtended strand (participates in β ladder)trans-91.4128.2172.5-172.80000108.9F103 G129 I130 V131 A133 F153 L167F103-V127 HydrophobicContact CE2-CG1 4.49Å; F103-V127 HydrophobicContact CZ-CG1 4.26Å; V127-G129 PolarHBondContact O-N 3.28Å; V127-I130 PolarHBondContact O-N 3.25Å; V127-V131 HydrophobicContact CB-CB 4.25Å; V127-V131 PolarHBondContact N-O 2.82Å; V127-V131 PolarHBondContact O-N 2.85Å; V127-A133 HydrophobicContact CG2-CB 4.36Å; V127-F153 HydrophobicContact CG2-CE1 3.96Å; V127-F153 HydrophobicContact CG2-CZ 3.63Å; V127-L167 HydrophobicContact CG2-CD1 4.19Å
128Y91Very high92.4Very high4 Ų439.6 Ų39.62%0.01624%0.238CC..THydrogen-bonded Turntrans56.913.9-175-56.9-57.3000115.3L20 S26 V28 F103 I130 G187 V190 I192L20-Y128 HydrophobicContact CD1-CD1 3.92Å; L20-Y128 HydrophobicContact CD1-CE1 3.66Å; L20-Y128 HydrophobicContact CD2-CE1 3.83Å; L20-Y128 HydrophobicContact CG-CE1 4.41Å; S26-Y128 WeakPolarHBondContact CA-OH 3.36Å; S26-Y128 WeakPolarHBondContact O-CE2 3.48Å; S26-Y128 PolarHBondContact O-OH 2.88Å; V28-Y128 HydrophobicContact CG2-CE2 4.07Å; F103-Y128 HydrophobicContact CD2-CD2 4.07Å; F103-Y128 AromaticContact CD2-CE2 3.71Å; F103-Y128 HydrophobicContact CD2-CE2 3.71Å; F103-Y128 HydrophobicContact CE2-CD2 4.18Å; F103-Y128 AromaticContact CE2-CE2 3.65Å; F103-Y128 HydrophobicContact CE2-CE2 3.65Å; Y128-I130 PolarHBondContact O-N 2.8Å; Y128-G187 PolarHBondContact N-O 3.16Å; Y128-V190 CarbonylContact C-O 3.53Å; Y128-V190 WeakPolarHBondContact CA-O 3.38Å; Y128-V190 HydrophobicContact CD1-CB 4.13Å; Y128-V190 HydrophobicContact CD1-CG1 4.36Å; Y128-I192 HydrophobicContact CG-CD1 4.42Å; Y128-I192 PolarHBondContact O-N 2.98Å
129G88.8Confident91.5Very high26 Ų2641.2 Ų41.227%0.26826%0.257SS..THydrogen-bonded Turntrans73.44.3-171.300000115V127V127-G129 PolarHBondContact O-N 3.28Å
130I89.3Confident90.7Very high32 Ų3246 Ų4616%0.16428%0.281CS..THydrogen-bonded Turntrans-116.2-49.9-173.2-46.1-161.3000111.6H60 L71 V127 Y128 I192 F193H60-I130 HydrophobicContact CB-CG2 3.94Å; H60-I130 WeakPolarHBondContact CD2-CD1 3.29Å; L71-I130 HydrophobicContact CD2-CD1 4.02Å; V127-I130 PolarHBondContact O-N 3.25Å; Y128-I130 PolarHBondContact O-N 2.8Å; I130-I192 HydrophobicContact CD1-CB 4.03Å; I130-I192 HydrophobicContact CD1-CD1 3.88Å; I130-I192 HydrophobicContact CD1-CG1 4.49Å; I130-I192 HydrophobicContact CD1-CG2 4.27Å; I130-F193 HydrophobicContact CB-CE2 4.4Å; I130-F193 HydrophobicContact CD1-CD2 4.1Å; I130-F193 HydrophobicContact CD1-CE2 3.58Å; I130-F193 HydrophobicContact CD1-CZ 4.27Å; I130-F193 HydrophobicContact CG1-CD2 3.92Å; I130-F193 HydrophobicContact CG1-CE2 3.58Å; I130-F193 HydrophobicContact CG2-CE2 4.37Å
131V93Very high90.3Very high2 Ų243.7 Ų43.71%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-93.5127.7-168.6-172.10000109.9I69 F103 K126 V127 I165 L167I69-V131 HydrophobicContact CD1-CB 4.32Å; I69-V131 HydrophobicContact CD1-CG1 4.06Å; I69-V131 HydrophobicContact CD1-CG2 3.51Å; F103-V131 HydrophobicContact CD1-CG2 3.74Å; F103-V131 HydrophobicContact CE1-CB 4.34Å; F103-V131 HydrophobicContact CE1-CG1 4.14Å; F103-V131 HydrophobicContact CE1-CG2 3.91Å; K126-V131 CarbonylContact C-O 3.54Å; K126-V131 VanDerWaalsContact CA-O 3.31Å; K126-V131 WeakPolarHBondContact CA-O 3.28Å; V127-V131 HydrophobicContact CB-CB 4.25Å; V127-V131 PolarHBondContact N-O 2.82Å; V127-V131 PolarHBondContact O-N 2.85Å; V131-I165 HydrophobicContact CG1-CG2 3.76Å; V131-L167 HydrophobicContact CG1-CD1 4.18Å; V131-L167 HydrophobicContact CG1-CG 4.04Å
132S94Very high89.5Confident61 Ų6141.9 Ų41.943%0.42725%0.248SC..EExtended strand (participates in β ladder)trans-82.7136.6175.9-61.70000110.7L167S132-L167 PolarHBondContact O-N 2.78Å; S132-L167 VanDerWaalsContact O-N 3.08Å
133A96Very high88.6Confident5 Ų546.5 Ų46.54%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-132.3137.8176.500000110.7A124 C125 V127 I135 F153 L167A124-A133 WeakPolarHBondContact CA-O 3.34Å; C125-A133 PolarHBondContact N-O 3.09Å; C125-A133 PolarHBondContact O-N 3.1Å; V127-A133 HydrophobicContact CG2-CB 4.36Å; A133-I135 HydrophobicContact CB-CD1 3.97Å; A133-F153 HydrophobicContact CB-CE1 4.42Å; A133-F153 HydrophobicContact CB-CE2 4.25Å; A133-F153 HydrophobicContact CB-CZ 3.83Å; A133-L167 CarbonylContact C-O 3.53Å; A133-L167 VanDerWaalsContact CA-O 3.26Å; A133-L167 WeakPolarHBondContact CA-O 3.39Å; A133-L167 HydrophobicContact CB-CB 3.77Å; A133-L167 HydrophobicContact CB-CD1 4.29Å; A133-L167 HydrophobicContact CB-CG 4.34Å
134R96.1Very high88.2Confident124 Ų12449.5 Ų49.547%0.46830%0.3SS..EExtended strand (participates in β ladder)trans-105.8118.6174.1176.8177.2-177.11750.6108.7H122 L167 D168 G169H122-R134 HydrophobicContact CB-CG 3.99Å; R134-L167 PolarHBondContact N-O 3.1Å; R134-D168 WeakPolarHBondContact O-CA 3.44Å; R134-G169 PolarHBondContact O-N 3.33Å
135I96Very high87.9Confident0 Ų051 Ų510%030%0.304CS..EExtended strand (participates in β ladder)trans-113.8118.4-173.4-47.4-51.4000109.1H122 V123 A133 I151 F153 G169 A171H122-I135 CarbonylContact C-O 3.53Å; H122-I135 VanDerWaalsContact CA-O 3.27Å; H122-I135 WeakPolarHBondContact CA-O 3.36Å; H122-I135 WeakPolarHBondContact CB-O 3.45Å; V123-I135 HydrophobicContact CB-CB 4.35Å; V123-I135 PolarHBondContact N-O 3.48Å; V123-I135 PolarHBondContact O-N 3.41Å; A133-I135 HydrophobicContact CB-CD1 3.97Å; I135-I151 HydrophobicContact CB-CD1 4.3Å; I135-I151 HydrophobicContact CG1-CD1 4.43Å; I135-I151 HydrophobicContact CG2-CD1 4.02Å; I135-F153 HydrophobicContact CD1-CB 3.68Å; I135-F153 HydrophobicContact CD1-CD1 3.62Å; I135-F153 HydrophobicContact CD1-CD2 3.37Å; I135-F153 HydrophobicContact CD1-CE1 4Å; I135-F153 HydrophobicContact CD1-CE2 3.77Å; I135-F153 HydrophobicContact CD1-CG 3.26Å; I135-F153 HydrophobicContact CD1-CZ 4.06Å; I135-F153 HydrophobicContact CG1-CB 4.21Å; I135-F153 HydrophobicContact CG1-CD1 4.15Å; I135-F153 HydrophobicContact CG1-CG 4.1Å; I135-F153 HydrophobicContact CG2-CB 3.87Å; I135-G169 WeakPolarHBondContact CA-O 3.23Å; I135-A171 HydrophobicContact CG2-CB 3.81Å; I135-A171 VanDerWaalsContact CG2-N 3.34Å
136S94.2Very high87.7Confident53 Ų5359.3 Ų59.337%0.37133%0.334SS..EExtended strand (participates in β ladder)trans-80.5142.2168.6550000110.2G169 V170 A171S136-G169 PolarHBondContact N-O 3.39Å; S136-G169 PolarHBondContact OG-O 3.25Å; S136-V170 WeakPolarHBondContact O-CA 3.44Å; S136-A171 PolarHBondContact O-N 3.29Å
137F90.5Very high87.6Confident29 Ų2959.1 Ų59.113%0.12734%0.342CS..  trans-133.5161.5177.855.1-100.9000109.5T119 H122 V123 D141 A142 Y145 A171T119-F137 WeakPolarHBondContact O-CZ 3.45Å; H122-F137 VanDerWaalsContact CA-CE1 3.46Å; V123-F137 HydrophobicContact CB-CD1 4.41Å; V123-F137 HydrophobicContact CB-CE1 4.47Å; V123-F137 HydrophobicContact CG2-CD1 3.65Å; V123-F137 HydrophobicContact CG2-CE1 3.6Å; F137-D141 HydrophobicContact CB-CB 4.36Å; F137-A142 HydrophobicContact CD2-CB 4.27Å; F137-A142 HydrophobicContact CE2-CB 3.45Å; F137-A142 VanDerWaalsContact CE2-CB 3.45Å; F137-A142 HydrophobicContact CZ-CB 3.94Å; F137-Y145 HydrophobicContact CB-CE2 4.06Å; F137-Y145 HydrophobicContact CD1-CE2 4.35Å; F137-Y145 HydrophobicContact CG-CE2 4.18Å; F137-A171 HydrophobicContact CB-CB 4.16Å
138A85Confident87.5Confident57 Ų5760.5 Ų60.547%0.47136%0.356SS..  trans-74142.2171.400000109.4D140 D141A138-D140 PolarHBondContact O-N 3.17Å; A138-D141 WeakPolarHBondContact O-CB 3.28Å; A138-D141 PolarHBondContact O-N 3.39Å
139A73Confident87.5Confident85 Ų8564.3 Ų64.370%0.70237%0.374SS*.G310 helixtrans-50.3-34.2-17100000113.8D141 A142A139-D141 PolarHBondContact O-N 2.89Å; A139-A142 WeakPolarHBondContact O-CB 3.24Å; A139-A142 PolarHBondContact O-N 2.87Å
140D75Confident87.6Confident147 Ų14765.6 Ų65.679%0.78638%0.378SS*.G310 helixtrans-64.7-25.1179.7-53-34.6000113.4A138A138-D140 PolarHBondContact O-N 3.17Å
141D79.2Confident87.8Confident72 Ų7264.2 Ų64.239%0.38537%0.371SS..G310 helixtrans-86.4-6.5-177.7-65.5-32000113.6F137 A138 A139 T143 S144 Y145F137-D141 HydrophobicContact CB-CB 4.36Å; A138-D141 WeakPolarHBondContact O-CB 3.28Å; A138-D141 PolarHBondContact O-N 3.39Å; A139-D141 PolarHBondContact O-N 2.89Å; D141-T143 PolarHBondContact O-N 3.34Å; D141-T143 VanDerWaalsContact O-N 3.15Å; D141-S144 WeakPolarHBondContact O-CB 3.45Å; D141-S144 PolarHBondContact O-N 3.16Å; D141-S144 PolarHBondContact O-OG 3.37Å; D141-Y145 HydrophobicContact CB-CE2 3.97Å; D141-Y145 WeakPolarHBondContact O-CD2 3.31Å; D141-Y145 VanDerWaalsContact O-CE2 3.28Å; D141-Y145 WeakPolarHBondContact O-CE2 3.28Å
142A72.5Confident87.8Confident30 Ų3065.4 Ų65.425%0.24838%0.375CS..G310 helixtrans-56.9-37.3-170.200000113.2F137 A139 S144F137-A142 HydrophobicContact CD2-CB 4.27Å; F137-A142 HydrophobicContact CE2-CB 3.45Å; F137-A142 VanDerWaalsContact CE2-CB 3.45Å; F137-A142 HydrophobicContact CZ-CB 3.94Å; A139-A142 WeakPolarHBondContact O-CB 3.24Å; A139-A142 PolarHBondContact O-N 2.87Å; A142-S144 VanDerWaalsContact C-N 3.27Å; A142-S144 PolarHBondContact O-N 2.75Å
143T75.9Confident87.8Confident131 Ų13162.5 Ų62.580%0.80436%0.355SS*.G310 helixtrans-76.3-13.4-177560000113.2D141D141-T143 PolarHBondContact O-N 3.34Å; D141-T143 VanDerWaalsContact O-N 3.15Å
144S84.7Confident87.8Confident64 Ų6467.2 Ų67.245%0.44837%0.371SS..G310 helixtrans-79.8-17.5-175.672.80000113.9D141 A142D141-S144 WeakPolarHBondContact O-CB 3.45Å; D141-S144 PolarHBondContact O-N 3.16Å; D141-S144 PolarHBondContact O-OG 3.37Å; A142-S144 VanDerWaalsContact C-N 3.27Å; A142-S144 PolarHBondContact O-N 2.75Å
145Y88.3Confident87.8Confident44 Ų4461.3 Ų61.317%0.17335%0.349CS..  trans-99.5122.2-172.7-58.4-69.7000112.3V123 F137 D141 I151 A171V123-Y145 HydrophobicContact CG2-CD2 3.68Å; V123-Y145 HydrophobicContact CG2-CE2 4.33Å; V123-Y145 HydrophobicContact CG2-CG 3.83Å; F137-Y145 HydrophobicContact CB-CE2 4.06Å; F137-Y145 HydrophobicContact CD1-CE2 4.35Å; F137-Y145 HydrophobicContact CG-CE2 4.18Å; D141-Y145 HydrophobicContact CB-CE2 3.97Å; D141-Y145 WeakPolarHBondContact O-CD2 3.31Å; D141-Y145 VanDerWaalsContact O-CE2 3.28Å; D141-Y145 WeakPolarHBondContact O-CE2 3.28Å; Y145-I151 HydrophobicContact CD1-CD1 3.71Å; Y145-I151 HydrophobicContact CD1-CG1 4.11Å; Y145-I151 HydrophobicContact CE1-CD1 3.47Å; Y145-I151 VanDerWaalsContact CE1-CD1 3.47Å; Y145-I151 HydrophobicContact CE1-CG1 3.72Å; Y145-I151 HydrophobicContact CG-CD1 4.43Å; Y145-A171 VanDerWaalsContact OH-CB 3.3Å; Y145-A171 WeakPolarHBondContact OH-CB 3.4Å
146R90.9Very high87.8Confident177 Ų17769.9 Ų69.967%0.66838%0.381SS*.  trans-107.5145.9171.1-57-178.5174-159.1-1.9112.1V115 G148 E149V115-R146 WeakPolarHBondContact CB-O 3.4Å; R146-G148 PolarHBondContact O-N 3.02Å; R146-E149 HydrophobicContact CB-CG 4.05Å; R146-E149 WeakPolarHBondContact O-CB 3.49Å; R146-E149 PolarHBondContact O-N 3.42Å; R146-E149 VanDerWaalsContact O-N 3.14Å
147T92.3Very high87.8Confident98 Ų9873.3 Ų73.360%0.60139%0.386SS*.THydrogen-bonded Turntrans-58.5127.6174.5-62.40000110.3A116A116-T147 VanDerWaalsContact O-CG2 3.28Å; A116-T147 WeakPolarHBondContact O-CG2 3.14Å
148G91.1Very high88Confident29 Ų2976.4 Ų76.430%0.29940%0.398SS..THydrogen-bonded Turntrans94.4-9.2-18000000115.6K114 V115 R146K114-G148 VanDerWaalsContact CE-O 3.25Å; K114-G148 WeakPolarHBondContact CE-O 3.31Å; V115-G148 PolarHBondContact O-N 2.87Å; R146-G148 PolarHBondContact O-N 3.02Å
149E91.5Very high88.3Confident85 Ų8579.3 Ų79.340%0.39740%0.397SS..SBendtrans-80.1157175.4-70.3-175.616800112.2V115 R146V115-E149 WeakPolarHBondContact CG2-O 3.05Å; V115-E149 PolarHBondContact N-O 2.75Å; R146-E149 HydrophobicContact CB-CG 4.05Å; R146-E149 WeakPolarHBondContact O-CB 3.49Å; R146-E149 PolarHBondContact O-N 3.42Å; R146-E149 VanDerWaalsContact O-N 3.14Å
150P92.2Very high89.1Confident52 Ų5277.4 Ų77.434%0.33838%0.38SS..EExtended strand (participates in β ladder)trans-72.9132.1171.429.7-32.6000110.8G113 W152 P185 C188G113-P150 WeakPolarHBondContact O-CA 3.32Å; P150-W152 HydrophobicContact CB-CH2 4.21Å; P150-W152 HydrophobicContact CB-CZ3 4.42Å; P150-W152 HydrophobicContact CG-CH2 4.02Å; P150-W152 HydrophobicContact CG-CZ3 4.32Å; P150-P185 HydrophobicContact CB-CB 4.01Å; P150-P185 HydrophobicContact CB-CG 4.48Å; P150-C188 HydrophobicContact CB-CB 3.82Å
151I93Very high89.7Confident3 Ų374.3 Ų74.32%0.01536%0.361CS..EExtended strand (participates in β ladder)trans-115138.2168.1-171.8170.5000109.1S112 G113 V115 V123 C125 I135 Y145S112-I151 CarbonylContact C-O 3.52Å; S112-I151 WeakPolarHBondContact CA-O 3.29Å; G113-I151 PolarHBondContact N-O 2.91Å; G113-I151 PolarHBondContact O-N 3.08Å; V115-I151 HydrophobicContact CG2-CB 3.88Å; V115-I151 HydrophobicContact CG2-CG2 3.88Å; V123-I151 HydrophobicContact CB-CD1 4.06Å; V123-I151 HydrophobicContact CG1-CD1 3.93Å; V123-I151 HydrophobicContact CG2-CD1 4.29Å; C125-I151 HydrophobicContact CB-CG2 3.67Å; I135-I151 HydrophobicContact CB-CD1 4.3Å; I135-I151 HydrophobicContact CG1-CD1 4.43Å; I135-I151 HydrophobicContact CG2-CD1 4.02Å; Y145-I151 HydrophobicContact CD1-CD1 3.71Å; Y145-I151 HydrophobicContact CD1-CG1 4.11Å; Y145-I151 HydrophobicContact CE1-CD1 3.47Å; Y145-I151 VanDerWaalsContact CE1-CD1 3.47Å; Y145-I151 HydrophobicContact CE1-CG1 3.72Å; Y145-I151 HydrophobicContact CG-CD1 4.43Å
152W93Very high89.8Confident28 Ų2879.8 Ų79.811%0.10638%0.384CS..EExtended strand (participates in β ladder)trans-101.1140.5170.8-65.1-97.5000109.3L111 P150 V172 K174 A177 P185L111-W152 WeakPolarHBondContact O-CA 3.43Å; P150-W152 HydrophobicContact CB-CH2 4.21Å; P150-W152 HydrophobicContact CB-CZ3 4.42Å; P150-W152 HydrophobicContact CG-CH2 4.02Å; P150-W152 HydrophobicContact CG-CZ3 4.32Å; W152-V172 PolarHBondContact O-N 3.3Å; W152-K174 HydrophobicContact CE3-CB 4.1Å; W152-K174 HydrophobicContact CE3-CG 4.36Å; W152-K174 HydrophobicContact CH2-CB 4.26Å; W152-K174 HydrophobicContact CH2-CD 3.7Å; W152-K174 HydrophobicContact CH2-CG 3.7Å; W152-K174 HydrophobicContact CZ2-CD 4.37Å; W152-K174 HydrophobicContact CZ2-CG 4Å; W152-K174 HydrophobicContact CZ3-CB 3.91Å; W152-K174 HydrophobicContact CZ3-CD 4.02Å; W152-K174 HydrophobicContact CZ3-CG 3.89Å; W152-A177 HydrophobicContact CB-CB 3.87Å; W152-A177 HydrophobicContact CD2-CB 4.39Å; W152-A177 HydrophobicContact CG-CB 3.63Å; W152-P185 HydrophobicContact CZ2-CB 3.88Å; W152-P185 HydrophobicContact CZ2-CG 4.19Å
153F94.4Very high90.5Very high0 Ų086.5 Ų86.50%040%0.403CS..EExtended strand (participates in β ladder)trans-152150.8-179.464-88000111.2L111 V127 A133 I135 V155 L167 V170L111-F153 HydrophobicContact CB-CE1 4.13Å; L111-F153 HydrophobicContact CB-CE2 4.06Å; L111-F153 HydrophobicContact CB-CZ 3.78Å; L111-F153 HydrophobicContact CD1-CE2 4.45Å; L111-F153 HydrophobicContact CD1-CZ 4.41Å; L111-F153 PolarHBondContact N-O 2.74Å; L111-F153 PolarHBondContact O-N 3.04Å; V127-F153 HydrophobicContact CG2-CE1 3.96Å; V127-F153 HydrophobicContact CG2-CZ 3.63Å; A133-F153 HydrophobicContact CB-CE1 4.42Å; A133-F153 HydrophobicContact CB-CE2 4.25Å; A133-F153 HydrophobicContact CB-CZ 3.83Å; I135-F153 HydrophobicContact CD1-CB 3.68Å; I135-F153 HydrophobicContact CD1-CD1 3.62Å; I135-F153 HydrophobicContact CD1-CD2 3.37Å; I135-F153 HydrophobicContact CD1-CE1 4Å; I135-F153 HydrophobicContact CD1-CE2 3.77Å; I135-F153 HydrophobicContact CD1-CG 3.26Å; I135-F153 HydrophobicContact CD1-CZ 4.06Å; I135-F153 HydrophobicContact CG1-CB 4.21Å; I135-F153 HydrophobicContact CG1-CD1 4.15Å; I135-F153 HydrophobicContact CG1-CG 4.1Å; I135-F153 HydrophobicContact CG2-CB 3.87Å; F153-V155 HydrophobicContact CD2-CG2 4.36Å; F153-V155 HydrophobicContact CE2-CG2 3.91Å; F153-L167 HydrophobicContact CE2-CD1 4.24Å; F153-L167 HydrophobicContact CZ-CD1 4.19Å; F153-V170 CarbonylContact C-O 3.36Å; F153-V170 WeakPolarHBondContact CA-O 3.48Å; F153-V170 VanDerWaalsContact CB-O 3.29Å; F153-V170 WeakPolarHBondContact CB-O 3.22Å
154R94.9Very high91.2Very high104 Ų10486.3 Ų86.339%0.39239%0.389SS..EExtended strand (participates in β ladder)trans-92.3127.6170-174.7172.9-72.2163.6-0.7109.1L110 R156 G169 V170 V172L110-R154 HydrophobicContact CD2-CB 4.08Å; R154-R156 PolarHBondContact O-N 2.94Å; R154-G169 CarbonylContact O-C 3.4Å; R154-G169 WeakPolarHBondContact O-CA 3.45Å; R154-V170 PolarHBondContact N-O 2.92Å; R154-V170 PolarHBondContact O-N 3.17Å; R154-V172 HydrophobicContact CB-CG2 4.02Å
155V95.7Very high91.6Very high0 Ų083.5 Ų83.50%037%0.368CS..EExtended strand (participates in β ladder)trans-70.1116177.4178.50000108.9D108 A109 L111 F153D108-V155 WeakPolarHBondContact CA-O 3.15Å; D108-V155 PolarHBondContact N-O 2.86Å; A109-V155 WeakPolarHBondContact O-CG2 3.32Å; A109-V155 PolarHBondContact O-N 2.69Å; L111-V155 HydrophobicContact CD1-CG2 3.59Å; L111-V155 HydrophobicContact CG-CG2 4.06Å; F153-V155 HydrophobicContact CD2-CG2 4.36Å; F153-V155 HydrophobicContact CE2-CG2 3.91Å
156R96.2Very high91.9Very high179 Ų17984.7 Ų84.768%0.67538%0.376SS*.EExtended strand (participates in β ladder)trans-89.2-38.9176.4-175.6178.8176.8-178.31.7111.5V107 R154 D168V107-R156 WeakPolarHBondContact CG1-O 3.21Å; R154-R156 PolarHBondContact O-N 2.94Å; R156-D168 PolarHBondContact N-O 2.85Å
157R95.5Very high92.1Very high125 Ų12576.3 Ų76.347%0.47235%0.345SS..EExtended strand (participates in β ladder)trans-159164.8175.963.4-178.9-171-156.5-8109.6R159 D168R157-R159 VanDerWaalsContact NH2-NH2 3.18Å; R157-D168 HydrophobicContact CG-CB 3.7Å; R157-D168 IonicContact CZ-OD2 3.45Å; R157-D168 PolarHBondContact N-O 3.47Å; R157-D168 VanDerWaalsContact N-O 3.17Å; R157-D168 IonicContact NE-OD2 3.69Å; R157-D168 PolarHBondContact NE-OD2 3.37Å; R157-D168 IonicContact NH2-OD2 3.51Å; R157-D168 PolarHBondContact NH2-OD2 3.03Å; R157-D168 PolarHBondContact O-N 3.49Å; R157-D168 VanDerWaalsContact O-O 3.05Å
158Y93.6Very high92.3Very high94 Ų9472.4 Ų72.437%0.36932%0.32SS..EExtended strand (participates in β ladder)trans-134.6150.3167.762.9-90.9000109.8P105 V107 I165 M166P105-Y158 HydrophobicContact CG-CD1 4.23Å; P105-Y158 HydrophobicContact CG-CG 4.27Å; P105-Y158 WeakPolarHBondContact O-CE1 3.15Å; V107-Y158 HydrophobicContact CG2-CE1 4.46Å; Y158-I165 HydrophobicContact CD2-CD1 3.67Å; Y158-I165 HydrophobicContact CD2-CG1 4.1Å; Y158-I165 HydrophobicContact CE2-CD1 4.05Å; Y158-I165 HydrophobicContact CG-CD1 4.5Å; Y158-M166 CarbonylContact C-O 3.49Å; Y158-M166 VanDerWaalsContact CA-O 3.28Å; Y158-M166 WeakPolarHBondContact CA-O 3.48Å
159R92.3Very high92.5Very high119 Ų11971.2 Ų71.245%0.44931%0.308SS..EExtended strand (participates in β ladder)trans-116.3120.5176-63.1178.7-178.9-175.4-3.8108.5R157 I165 M166R157-R159 VanDerWaalsContact NH2-NH2 3.18Å; R159-I165 CarbonylContact O-C 3.55Å; R159-I165 WeakPolarHBondContact O-CA 3.43Å; R159-M166 PolarHBondContact N-O 3.45Å; R159-M166 PolarHBondContact O-N 3.31Å
160A89.9Confident92.7Very high44 Ų4470.2 Ų70.236%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-94.8114.817200000108.8Y62 I165Y62-A160 HydrophobicContact CD1-CB 4.23Å; Y62-A160 HydrophobicContact CD2-CB 4.1Å; Y62-A160 HydrophobicContact CE1-CB 4.03Å; Y62-A160 HydrophobicContact CE2-CB 3.91Å; Y62-A160 HydrophobicContact CG-CB 4.25Å; A160-I165 HydrophobicContact CB-CD1 4.34Å; A160-I165 HydrophobicContact CB-CG1 3.79Å
161H86Confident92.8Very high83 Ų8368.6 Ų68.638%0.38430%0.298SS..EExtended strand (participates in β ladder)trans-116.4105.1175.6-72.9-74.3000108.7R163 Y164H161-R163 PolarHBondContact O-N 2.71Å; H161-Y164 HydrophobicContact CB-CD1 4.34Å; H161-Y164 HydrophobicContact CB-CD2 4.3Å; H161-Y164 HydrophobicContact CB-CE1 3.77Å; H161-Y164 HydrophobicContact CB-CE2 3.73Å; H161-Y164 VanDerWaalsContact CB-CZ 3.43Å; H161-Y164 AromaticContact CD2-CE2 3.95Å; H161-Y164 PolarHBondContact N-O 3.47Å; H161-Y164 WeakPolarHBondContact O-CD1 3.34Å; H161-Y164 PolarHBondContact O-N 3.33Å
162H82.5Confident92.8Very high187 Ų18769.8 Ų69.887%0.86631%0.306SS*.THydrogen-bonded Turntrans41.6-68.3179.3-69-74.6000116.6
163R86.5Confident92.6Very high171 Ų17171 Ų7165%0.64532%0.318SS*.THydrogen-bonded Turntrans-113.6-11.8-176.9-66.4-175174.9169.81.1114.8Q61 Y62 H161Q61-R163 CarbonylContact C-O 3.28Å; Q61-R163 WeakPolarHBondContact CA-O 3.21Å; Q61-R163 HydrophobicContact CB-CB 4.41Å; Q61-R163 HydrophobicContact CG-CB 4.32Å; Y62-R163 PolarHBondContact N-O 3.43Å; H161-R163 PolarHBondContact O-N 2.71Å
164Y90.2Very high92.3Very high127 Ų12776.5 Ų76.550%0.49834%0.342SS..EExtended strand (participates in β ladder)trans-131155.9-177.362.9-88.2000112H161 M166H161-Y164 HydrophobicContact CB-CD1 4.34Å; H161-Y164 HydrophobicContact CB-CD2 4.3Å; H161-Y164 HydrophobicContact CB-CE1 3.77Å; H161-Y164 HydrophobicContact CB-CE2 3.73Å; H161-Y164 VanDerWaalsContact CB-CZ 3.43Å; H161-Y164 AromaticContact CD2-CE2 3.95Å; H161-Y164 PolarHBondContact N-O 3.47Å; H161-Y164 WeakPolarHBondContact O-CD1 3.34Å; H161-Y164 PolarHBondContact O-N 3.33Å; Y164-M166 HydrophobicContact CE2-CE 4.25Å
165I93.2Very high92Very high5 Ų579.1 Ų79.13%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-110.7138.3166.7-107.2176.1000108.1Y62 I69 P105 V131 Y158 R159 A160 L167Y62-I165 HydrophobicContact CD2-CD1 3.57Å; Y62-I165 HydrophobicContact CD2-CG1 3.83Å; Y62-I165 HydrophobicContact CE2-CD1 3.51Å; Y62-I165 HydrophobicContact CE2-CG1 4.13Å; I69-I165 HydrophobicContact CD1-CB 3.76Å; I69-I165 HydrophobicContact CD1-CG2 4.04Å; I69-I165 HydrophobicContact CG1-CB 4.2Å; P105-I165 HydrophobicContact CG-CD1 4.49Å; V131-I165 HydrophobicContact CG1-CG2 3.76Å; Y158-I165 HydrophobicContact CD2-CD1 3.67Å; Y158-I165 HydrophobicContact CD2-CG1 4.1Å; Y158-I165 HydrophobicContact CE2-CD1 4.05Å; Y158-I165 HydrophobicContact CG-CD1 4.5Å; R159-I165 CarbonylContact O-C 3.55Å; R159-I165 WeakPolarHBondContact O-CA 3.43Å; A160-I165 HydrophobicContact CB-CD1 4.34Å; A160-I165 HydrophobicContact CB-CG1 3.79Å; I165-L167 HydrophobicContact CG2-CD2 3.59Å; I165-L167 HydrophobicContact CG2-CG 4.31Å
166M94.2Very high91.6Very high69 Ų6983 Ų8334%0.3438%0.38SS..EExtended strand (participates in β ladder)trans-115.7125.6169.4-170.7-179.3-56.100108.3Y158 R159 Y164Y158-M166 CarbonylContact C-O 3.49Å; Y158-M166 VanDerWaalsContact CA-O 3.28Å; Y158-M166 WeakPolarHBondContact CA-O 3.48Å; R159-M166 PolarHBondContact N-O 3.45Å; R159-M166 PolarHBondContact O-N 3.31Å; Y164-M166 HydrophobicContact CE2-CE 4.25Å
167L96.2Very high91.2Very high0 Ų074.5 Ų74.50%035%0.348CS..EExtended strand (participates in β ladder)trans-92.1135.7176.3-48.2180000109.3F103 P105 L111 V127 V131 S132 A133 R134 F153 I165F103-L167 HydrophobicContact CE1-CD1 4.26Å; F103-L167 HydrophobicContact CZ-CD1 4.27Å; P105-L167 HydrophobicContact CB-CD2 3.89Å; P105-L167 HydrophobicContact CG-CD2 3.63Å; L111-L167 HydrophobicContact CD1-CD1 3.94Å; V127-L167 HydrophobicContact CG2-CD1 4.19Å; V131-L167 HydrophobicContact CG1-CD1 4.18Å; V131-L167 HydrophobicContact CG1-CG 4.04Å; S132-L167 PolarHBondContact O-N 2.78Å; S132-L167 VanDerWaalsContact O-N 3.08Å; A133-L167 CarbonylContact C-O 3.53Å; A133-L167 VanDerWaalsContact CA-O 3.26Å; A133-L167 WeakPolarHBondContact CA-O 3.39Å; A133-L167 HydrophobicContact CB-CB 3.77Å; A133-L167 HydrophobicContact CB-CD1 4.29Å; A133-L167 HydrophobicContact CB-CG 4.34Å; R134-L167 PolarHBondContact N-O 3.1Å; F153-L167 HydrophobicContact CE2-CD1 4.24Å; F153-L167 HydrophobicContact CZ-CD1 4.19Å; I165-L167 HydrophobicContact CG2-CD2 3.59Å; I165-L167 HydrophobicContact CG2-CG 4.31Å
168D96.4Very high90.8Very high17 Ų1774.1 Ų74.19%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-109.4130.2164.8-69.3-32.8000108R134 R156 R157R134-D168 WeakPolarHBondContact O-CA 3.44Å; R156-D168 PolarHBondContact N-O 2.85Å; R157-D168 HydrophobicContact CG-CB 3.7Å; R157-D168 IonicContact CZ-OD2 3.45Å; R157-D168 PolarHBondContact N-O 3.47Å; R157-D168 VanDerWaalsContact N-O 3.17Å; R157-D168 IonicContact NE-OD2 3.69Å; R157-D168 PolarHBondContact NE-OD2 3.37Å; R157-D168 IonicContact NH2-OD2 3.51Å; R157-D168 PolarHBondContact NH2-OD2 3.03Å; R157-D168 PolarHBondContact O-N 3.49Å; R157-D168 VanDerWaalsContact O-O 3.05Å
169G96.3Very high90.5Very high3 Ų373.7 Ų73.73%0.03137%0.366CS..EExtended strand (participates in β ladder)trans-145.9173.3-177.700000113.5R134 I135 S136 R154R134-G169 PolarHBondContact O-N 3.33Å; I135-G169 WeakPolarHBondContact CA-O 3.23Å; S136-G169 PolarHBondContact N-O 3.39Å; S136-G169 PolarHBondContact OG-O 3.25Å; R154-G169 CarbonylContact O-C 3.4Å; R154-G169 WeakPolarHBondContact O-CA 3.45Å
170V95Very high90Very high65 Ų6571.9 Ų71.939%0.39437%0.365SS..EExtended strand (participates in β ladder)trans-113.3135.3174.9-175.20000108.2S136 F153 R154S136-V170 WeakPolarHBondContact O-CA 3.44Å; F153-V170 CarbonylContact C-O 3.36Å; F153-V170 WeakPolarHBondContact CA-O 3.48Å; F153-V170 VanDerWaalsContact CB-O 3.29Å; F153-V170 WeakPolarHBondContact CB-O 3.22Å; R154-V170 PolarHBondContact N-O 2.92Å; R154-V170 PolarHBondContact O-N 3.17Å
171A94.4Very high89.4Confident18 Ų1872.3 Ų72.315%0.14937%0.374CS..EExtended strand (participates in β ladder)trans-61.1144.1177.300000110.9I135 S136 F137 Y145I135-A171 HydrophobicContact CG2-CB 3.81Å; I135-A171 VanDerWaalsContact CG2-N 3.34Å; S136-A171 PolarHBondContact O-N 3.29Å; F137-A171 HydrophobicContact CB-CB 4.16Å; Y145-A171 VanDerWaalsContact OH-CB 3.3Å; Y145-A171 WeakPolarHBondContact OH-CB 3.4Å
172V92.3Very high89Confident28 Ų2868.7 Ų68.717%0.1736%0.357CS..EExtended strand (participates in β ladder)trans-132.7140.6-179.8176.30000108.3L110 W152 R154 D176L110-V172 HydrophobicContact CD2-CB 4.22Å; L110-V172 HydrophobicContact CD2-CG1 4.12Å; L110-V172 HydrophobicContact CD2-CG2 3.97Å; W152-V172 PolarHBondContact O-N 3.3Å; R154-V172 HydrophobicContact CB-CG2 4.02Å; V172-D176 HydrophobicContact CG1-CB 3.5Å; V172-D176 VanDerWaalsContact CG1-CB 3.5Å
173S89.7Confident88.5Confident53 Ų5363 Ų6337%0.37134%0.343SS..  trans-63153.917985.70000111Q175 D176 A177S173-Q175 PolarHBondContact O-N 2.7Å; S173-Q175 PolarHBondContact OG-N 3.46Å; S173-D176 WeakPolarHBondContact CB-OD2 3.48Å; S173-D176 PolarHBondContact O-N 2.88Å; S173-D176 PolarHBondContact OG-N 2.94Å; S173-D176 VanDerWaalsContact OG-N 3.15Å; S173-D176 PolarHBondContact OG-OD2 2.75Å; S173-A177 WeakPolarHBondContact O-CB 3.49Å; S173-A177 PolarHBondContact O-N 3.46Å
174K87.6Confident88Confident116 Ų11660.4 Ų60.450%0.50433%0.334SS..Hα-helixtrans-61.3-30.2176.6-176.7178.6179.4-175.50112.2W152 K178W152-K174 HydrophobicContact CE3-CB 4.1Å; W152-K174 HydrophobicContact CE3-CG 4.36Å; W152-K174 HydrophobicContact CH2-CB 4.26Å; W152-K174 HydrophobicContact CH2-CD 3.7Å; W152-K174 HydrophobicContact CH2-CG 3.7Å; W152-K174 HydrophobicContact CZ2-CD 4.37Å; W152-K174 HydrophobicContact CZ2-CG 4Å; W152-K174 HydrophobicContact CZ3-CB 3.91Å; W152-K174 HydrophobicContact CZ3-CD 4.02Å; W152-K174 HydrophobicContact CZ3-CG 3.89Å; K174-K178 VanDerWaalsContact O-CG 3.32Å; K174-K178 WeakPolarHBondContact O-CG 3.49Å; K174-K178 PolarHBondContact O-N 2.81Å
175Q88Confident87.5Confident159 Ų15954.9 Ų54.974%0.74331%0.314SS*.Hα-helixtrans-70.3-47.4179.5-64.1-179.24.800110.1S173 A177 K178 A179S173-Q175 PolarHBondContact O-N 2.7Å; S173-Q175 PolarHBondContact OG-N 3.46Å; Q175-A177 VanDerWaalsContact C-N 3.34Å; Q175-A177 PolarHBondContact O-N 2.99Å; Q175-K178 WeakPolarHBondContact O-CB 3.22Å; Q175-K178 PolarHBondContact O-N 3.47Å; Q175-K178 VanDerWaalsContact O-N 3.17Å; Q175-A179 PolarHBondContact O-N 3.42Å
176D88.1Confident86.8Confident82 Ų8257.9 Ų57.944%0.43933%0.325SS..Hα-helixtrans-64.1-39.3177.4-58.4-37.2000111.9V172 S173 K178 A179 N180V172-D176 HydrophobicContact CG1-CB 3.5Å; V172-D176 VanDerWaalsContact CG1-CB 3.5Å; S173-D176 WeakPolarHBondContact CB-OD2 3.48Å; S173-D176 PolarHBondContact O-N 2.88Å; S173-D176 PolarHBondContact OG-N 2.94Å; S173-D176 VanDerWaalsContact OG-N 3.15Å; S173-D176 PolarHBondContact OG-OD2 2.75Å; D176-K178 VanDerWaalsContact C-N 3.31Å; D176-K178 PolarHBondContact O-N 3.17Å; D176-A179 PolarHBondContact O-N 3.44Å; D176-N180 WeakPolarHBondContact O-CB 3.5Å; D176-N180 PolarHBondContact O-N 2.82Å; D176-N180 PolarHBondContact O-ND2 3.06Å
177A87.2Confident85.6Confident0 Ų054.7 Ų54.70%031%0.309CS..Hα-helixtrans-62.3-39.6176.200000112W152 S173 Q175 C182W152-A177 HydrophobicContact CB-CB 3.87Å; W152-A177 HydrophobicContact CD2-CB 4.39Å; W152-A177 HydrophobicContact CG-CB 3.63Å; S173-A177 WeakPolarHBondContact O-CB 3.49Å; S173-A177 PolarHBondContact O-N 3.46Å; Q175-A177 VanDerWaalsContact C-N 3.34Å; Q175-A177 PolarHBondContact O-N 2.99Å; A177-C182 HydrophobicContact CB-CB 4.5Å; A177-C182 CarbonylContact O-C 3.59Å; A177-C182 WeakPolarHBondContact O-CA 3.32Å; A177-C182 VanDerWaalsContact O-CB 3.3Å; A177-C182 WeakPolarHBondContact O-CB 3.28Å; A177-C182 PolarHBondContact O-N 3.29Å
178K86.7Confident84.4Confident116 Ų11655.8 Ų55.850%0.50432%0.317SS..Hα-helixtrans-68.5-43.3175.4-76.7177173.1-168.90112K174 Q175 D176 N180 G181K174-K178 VanDerWaalsContact O-CG 3.32Å; K174-K178 WeakPolarHBondContact O-CG 3.49Å; K174-K178 PolarHBondContact O-N 2.81Å; Q175-K178 WeakPolarHBondContact O-CB 3.22Å; Q175-K178 PolarHBondContact O-N 3.47Å; Q175-K178 VanDerWaalsContact O-N 3.17Å; D176-K178 VanDerWaalsContact C-N 3.31Å; D176-K178 PolarHBondContact O-N 3.17Å; K178-N180 PolarHBondContact O-N 3.3Å; K178-G181 PolarHBondContact O-N 3.34Å
179A87.2Confident83.4Confident86 Ų8661 Ų6171%0.71134%0.339SS*.Hα-helixtrans-59-35.5177.600000111.8Q175 D176 G181Q175-A179 PolarHBondContact O-N 3.42Å; D176-A179 PolarHBondContact O-N 3.44Å; A179-G181 VanDerWaalsContact C-N 3.28Å; A179-G181 PolarHBondContact O-N 3.46Å
180N83.5Confident82.5Confident81 Ų8162.4 Ų62.443%0.43335%0.347SS..THydrogen-bonded Turntrans-88.821.6177.1-69-71.4000114.1L110 D176 K178 C182L110-N180 HydrophobicContact CD1-CB 3.19Å; D176-N180 WeakPolarHBondContact O-CB 3.5Å; D176-N180 PolarHBondContact O-N 2.82Å; D176-N180 PolarHBondContact O-ND2 3.06Å; K178-N180 PolarHBondContact O-N 3.3Å; N180-C182 VanDerWaalsContact C-N 3.32Å; N180-C182 PolarHBondContact O-N 3.3Å
181G77.1Confident81.7Confident53 Ų5362.2 Ų62.255%0.54634%0.344SS..THydrogen-bonded Turntrans78.44.3173.100000115.9K178 A179 A183K178-G181 PolarHBondContact O-N 3.34Å; A179-G181 VanDerWaalsContact C-N 3.28Å; A179-G181 PolarHBondContact O-N 3.46Å; G181-A183 VanDerWaalsContact C-N 3.26Å; G181-A183 PolarHBondContact O-N 3.09Å
182C77.5Confident80.8Confident7 Ų761.8 Ų61.85%0.04734%0.338CS..  trans-90.658.3173.4-161.70000110.7L110 A177 N180 Y184L110-C182 HydrophobicContact CB-CB 4.37Å; A177-C182 HydrophobicContact CB-CB 4.5Å; A177-C182 CarbonylContact O-C 3.59Å; A177-C182 WeakPolarHBondContact O-CA 3.32Å; A177-C182 VanDerWaalsContact O-CB 3.3Å; A177-C182 WeakPolarHBondContact O-CB 3.28Å; A177-C182 PolarHBondContact O-N 3.29Å; N180-C182 VanDerWaalsContact C-N 3.32Å; N180-C182 PolarHBondContact O-N 3.3Å; C182-Y184 PolarHBondContact O-N 3.28Å
183A70.8Confident79.7Confident67 Ų6762.6 Ų62.655%0.55434%0.34SS*.  trans-65.2-25.1-174.800000113.6G181G181-A183 VanDerWaalsContact C-N 3.26Å; G181-A183 PolarHBondContact O-N 3.09Å
184Y76.6Confident78.3Confident116 Ų11661.4 Ų61.446%0.45533%0.333SS..SBendtrans-120.5130.2-174.7-139.2-102.4000111.7C182 Y186 K189C182-Y184 PolarHBondContact O-N 3.28Å; Y184-Y186 VanDerWaalsContact CB-CZ 3.43Å; Y184-Y186 AromaticContact CD1-CD1 3.9Å; Y184-Y186 HydrophobicContact CD1-CD1 3.9Å; Y184-Y186 AromaticContact CD1-CE1 3.73Å; Y184-Y186 HydrophobicContact CD1-CE1 3.73Å; Y184-Y186 HydrophobicContact CG-CE1 4.05Å; Y184-Y186 WeakPolarHBondContact O-CD2 3.48Å; Y184-Y186 PolarHBondContact O-N 2.61Å; Y184-K189 HydrophobicContact CD1-CD 4.32Å; Y184-K189 HydrophobicContact CE1-CD 3.62Å; Y184-K189 PolarHBondContact OH-NZ 2.7Å; Y184-K189 VanDerWaalsContact OH-NZ 3.14Å
185P79.8Confident76.6Confident12 Ų1263.3 Ų63.38%0.07834%0.341CS..  trans-78.965.2-179.432.8-35.5000111S112 P150 W152 G187 C188 K189S112-P185 WeakPolarHBondContact OG-CA 3.28Å; P150-P185 HydrophobicContact CB-CB 4.01Å; P150-P185 HydrophobicContact CB-CG 4.48Å; W152-P185 HydrophobicContact CZ2-CB 3.88Å; W152-P185 HydrophobicContact CZ2-CG 4.19Å; P185-G187 VanDerWaalsContact C-N 3.26Å; P185-G187 PolarHBondContact O-N 3.09Å; P185-C188 HydrophobicContact CB-CB 4.35Å; P185-C188 PolarHBondContact O-N 2.96Å; P185-C188 VanDerWaalsContact O-N 3.14Å; P185-K189 HydrophobicContact CG-CD 4.25Å; P185-K189 HydrophobicContact CG-CG 4.37Å; P185-K189 PolarHBondContact O-N 3.49Å; P185-K189 VanDerWaalsContact O-N 3.09Å
186Y79.3Confident74.8Confident68 Ų6857.4 Ų57.427%0.26732%0.319SS..Hα-helixtrans-54.6-42.7-174.9-65-68.2000112L23 S112 Y184 C188 K189 V190L23-Y186 HydrophobicContact CD1-CD1 3.83Å; L23-Y186 HydrophobicContact CD1-CD2 4.42Å; L23-Y186 HydrophobicContact CD1-CE1 3.42Å; L23-Y186 VanDerWaalsContact CD1-CE1 3.42Å; L23-Y186 HydrophobicContact CD1-CE2 4.06Å; L23-Y186 HydrophobicContact CD1-CG 4.32Å; S112-Y186 PolarHBondContact OG-N 2.9Å; Y184-Y186 VanDerWaalsContact CB-CZ 3.43Å; Y184-Y186 AromaticContact CD1-CD1 3.9Å; Y184-Y186 HydrophobicContact CD1-CD1 3.9Å; Y184-Y186 AromaticContact CD1-CE1 3.73Å; Y184-Y186 HydrophobicContact CD1-CE1 3.73Å; Y184-Y186 HydrophobicContact CG-CE1 4.05Å; Y184-Y186 WeakPolarHBondContact O-CD2 3.48Å; Y184-Y186 PolarHBondContact O-N 2.61Å; Y186-C188 VanDerWaalsContact C-N 3.27Å; Y186-C188 PolarHBondContact O-N 2.82Å; Y186-K189 PolarHBondContact O-N 3.33Å; Y186-V190 WeakPolarHBondContact O-CB 3.19Å; Y186-V190 WeakPolarHBondContact O-CG2 3.35Å; Y186-V190 PolarHBondContact O-N 2.79Å
187G68.1Low72.8Confident1 Ų159.1 Ų59.11%0.0133%0.325CS..Hα-helixtrans-73-16.1-176.600000114.7S112 Y128 P185S112-G187 CarbonylContact O-C 3.56Å; S112-G187 WeakPolarHBondContact O-CA 3.13Å; S112-G187 PolarHBondContact OG-N 2.64Å; S112-G187 VanDerWaalsContact OG-N 3.09Å; Y128-G187 PolarHBondContact N-O 3.16Å; P185-G187 VanDerWaalsContact C-N 3.26Å; P185-G187 PolarHBondContact O-N 3.09Å
188C71.7Confident70.8Confident24 Ų2467.7 Ų67.716%0.16236%0.358CS..Hα-helixtrans-89.3-46171.4-179.10000112.3K114 P150 P185 Y186K114-C188 HydrophobicContact CB-CB 4.36Å; P150-C188 HydrophobicContact CB-CB 3.82Å; P185-C188 HydrophobicContact CB-CB 4.35Å; P185-C188 PolarHBondContact O-N 2.96Å; P185-C188 VanDerWaalsContact O-N 3.14Å; Y186-C188 VanDerWaalsContact C-N 3.27Å; Y186-C188 PolarHBondContact O-N 2.82Å
189K74.5Confident68.6Low127 Ų12769.6 Ų69.655%0.55237%0.367SS*.Hα-helixtrans-76-30-174.9-72.6-176.2175.6-178.20113.1Y184 P185 Y186 N191Y184-K189 HydrophobicContact CD1-CD 4.32Å; Y184-K189 HydrophobicContact CE1-CD 3.62Å; Y184-K189 PolarHBondContact OH-NZ 2.7Å; Y184-K189 VanDerWaalsContact OH-NZ 3.14Å; P185-K189 HydrophobicContact CG-CD 4.25Å; P185-K189 HydrophobicContact CG-CG 4.37Å; P185-K189 PolarHBondContact O-N 3.49Å; P185-K189 VanDerWaalsContact O-N 3.09Å; Y186-K189 PolarHBondContact O-N 3.33Å; K189-N191 PolarHBondContact O-N 3.48Å
190V77.2Confident66.8Low31 Ų3170.5 Ų70.519%0.18835%0.353CS..  trans-93.6103.6-177.8-178.90000109.3V16 L20 Y128 Y186 I192V16-V190 HydrophobicContact CG1-CG1 3.19Å; L20-V190 HydrophobicContact CD1-CG1 4.26Å; Y128-V190 CarbonylContact C-O 3.53Å; Y128-V190 WeakPolarHBondContact CA-O 3.38Å; Y128-V190 HydrophobicContact CD1-CB 4.13Å; Y128-V190 HydrophobicContact CD1-CG1 4.36Å; Y186-V190 WeakPolarHBondContact O-CB 3.19Å; Y186-V190 WeakPolarHBondContact O-CG2 3.35Å; Y186-V190 PolarHBondContact O-N 2.79Å; V190-I192 HydrophobicContact CG1-CG1 4.39Å
191N78Confident65Low62 Ų6275 Ų7533%0.33236%0.363SS..  trans-102.3110165.9177.6-13.8000109K189 F193 A194K189-N191 PolarHBondContact O-N 3.48Å; N191-F193 PolarHBondContact O-N 2.82Å; N191-F193 WeakPolarHBondContact OD1-CA 3.48Å; N191-F193 WeakPolarHBondContact OD1-CB 3.36Å; N191-F193 PolarHBondContact OD1-N 3.4Å; N191-A194 HydrophobicContact CB-CB 3.94Å; N191-A194 WeakPolarHBondContact O-CB 3.18Å; N191-A194 PolarHBondContact O-N 2.62Å; N191-A194 VanDerWaalsContact O-N 3.12Å; N191-A194 PolarHBondContact OD1-N 2.83Å
192I76Confident63.7Low8 Ų881.6 Ų81.64%0.04137%0.372CS..THydrogen-bonded Turntrans-61.1-26.7-177.6-62.9171.5000110.8A13 V16 L71 Y128 I130 V190A13-I192 HydrophobicContact CB-CG2 3.82Å; V16-I192 HydrophobicContact CG1-CG1 4.45Å; L71-I192 HydrophobicContact CB-CD1 4.27Å; L71-I192 HydrophobicContact CD1-CD1 3.91Å; L71-I192 HydrophobicContact CD2-CD1 3.84Å; L71-I192 HydrophobicContact CG-CD1 4.24Å; Y128-I192 HydrophobicContact CG-CD1 4.42Å; Y128-I192 PolarHBondContact O-N 2.98Å; I130-I192 HydrophobicContact CD1-CB 4.03Å; I130-I192 HydrophobicContact CD1-CD1 3.88Å; I130-I192 HydrophobicContact CD1-CG1 4.49Å; I130-I192 HydrophobicContact CD1-CG2 4.27Å; V190-I192 HydrophobicContact CG1-CG1 4.39Å
193F69.6Low62.7Low46 Ų4685.1 Ų85.120%0.20239%0.389CS..THydrogen-bonded Turntrans-93-1.2178.6-68.1-72.2000116H60 I130 N191 K195 A196 Q197H60-F193 HydrophobicContact CB-CZ 4.41Å; H60-F193 AromaticContact CD2-CZ 3.81Å; H60-F193 AromaticContact CE1-CE1 3.15Å; H60-F193 WeakPolarHBondContact CE1-CE1 3.26Å; H60-F193 AromaticContact CE1-CZ 3.13Å; H60-F193 WeakPolarHBondContact CE1-CZ 3.37Å; H60-F193 AromaticContact CG-CZ 3.54Å; H60-F193 AromaticContact ND1-CE1 3.57Å; H60-F193 AromaticContact ND1-CZ 3.15Å; H60-F193 WeakPolarHBondContact ND1-CZ 3.46Å; H60-F193 AromaticContact NE2-CE1 3.77Å; H60-F193 AromaticContact NE2-CZ 3.54Å; I130-F193 HydrophobicContact CB-CE2 4.4Å; I130-F193 HydrophobicContact CD1-CD2 4.1Å; I130-F193 HydrophobicContact CD1-CE2 3.58Å; I130-F193 HydrophobicContact CD1-CZ 4.27Å; I130-F193 HydrophobicContact CG1-CD2 3.92Å; I130-F193 HydrophobicContact CG1-CE2 3.58Å; I130-F193 HydrophobicContact CG2-CE2 4.37Å; N191-F193 PolarHBondContact O-N 2.82Å; N191-F193 WeakPolarHBondContact OD1-CA 3.48Å; N191-F193 WeakPolarHBondContact OD1-CB 3.36Å; N191-F193 PolarHBondContact OD1-N 3.4Å; F193-K195 PolarHBondContact O-N 3.45Å; F193-A196 HydrophobicContact CD1-CB 4.47Å; F193-A196 PolarHBondContact O-N 3.37Å; F193-Q197 HydrophobicContact CB-CG 4.3Å; F193-Q197 PolarHBondContact O-N 3.44Å
194A60Low62.1Low27 Ų2785.7 Ų85.722%0.22338%0.382CS..THydrogen-bonded Turntrans-60.8-0.6-166.300000116.7N191 Y198N191-A194 HydrophobicContact CB-CB 3.94Å; N191-A194 WeakPolarHBondContact O-CB 3.18Å; N191-A194 PolarHBondContact O-N 2.62Å; N191-A194 VanDerWaalsContact O-N 3.12Å; N191-A194 PolarHBondContact OD1-N 2.83Å; A194-Y198 WeakPolarHBondContact O-CD2 3.26Å
195K52.3Low61Low157 Ų15786.8 Ų86.868%0.68339%0.39SS*.THydrogen-bonded Turntrans-115.5-23.8166.9-91.8178.4-178.2-167.80114R12 F193 Q197R12-K195 VanDerWaalsContact NH1-CG 3.31Å; F193-K195 PolarHBondContact O-N 3.45Å; K195-Q197 VanDerWaalsContact C-N 3.31Å; K195-Q197 PolarHBondContact O-N 3.24Å
196A48.7Very low60Low34 Ų3491.6 Ų91.628%0.28141%0.414SS..Hα-helixtrans-66.2-37.7176.200000111.2I6 F193I6-A196 HydrophobicContact CG2-CB 3.95Å; F193-A196 HydrophobicContact CD1-CB 4.47Å; F193-A196 PolarHBondContact O-N 3.37Å
197Q47.4Very low59Low119 Ų11990.6 Ų90.656%0.55642%0.42SS*.Hα-helixtrans-75.3-31.6-178.2-64.5-132.1-28.900114.1F193 K195 K199 Y200 R201F193-Q197 HydrophobicContact CB-CG 4.3Å; F193-Q197 PolarHBondContact O-N 3.44Å; K195-Q197 VanDerWaalsContact C-N 3.31Å; K195-Q197 PolarHBondContact O-N 3.24Å; Q197-K199 PolarHBondContact O-N 3.26Å; Q197-Y200 PolarHBondContact O-N 3.07Å; Q197-R201 PolarHBondContact O-N 2.87Å
198Y44.1Very low58.5Low179 Ų17993.7 Ų93.770%0.70244%0.44SS*.Hα-helixtrans-66.9-37.1179-86.5-87.1000112.6A194 Y200 R202A194-Y198 WeakPolarHBondContact O-CD2 3.26Å; Y198-Y200 VanDerWaalsContact C-N 3.29Å; Y198-Y200 PolarHBondContact O-N 3.14Å; Y198-R202 PolarHBondContact O-N 3.01Å
199K42.3Very low58Low157 Ų15797 Ų9768%0.68346%0.457SS*.Hα-helixtrans-67-35.2175.4-160172.8-176.7-179.90111.1Q197 I203Q197-K199 PolarHBondContact O-N 3.26Å; K199-I203 HydrophobicContact CG-CD1 4.23Å; K199-I203 WeakPolarHBondContact O-CD1 3.39Å; K199-I203 VanDerWaalsContact O-CG1 3.28Å; K199-I203 WeakPolarHBondContact O-CG1 3.34Å; K199-I203 PolarHBondContact O-N 3.48Å; K199-I203 VanDerWaalsContact O-N 3.1Å
200Y47.6Very low57.5Low105 Ų10599 Ų9941%0.41246%0.462SS..Hα-helixtrans-74.8-40179.6-150.4-106.6000113C4 I6 Q197 Y198 R202 I203 I204C4-Y200 HydrophobicContact CB-CE2 4.39Å; I6-Y200 HydrophobicContact CD1-CD2 4.02Å; I6-Y200 HydrophobicContact CD1-CE2 4.28Å; I6-Y200 HydrophobicContact CD1-CG 4.48Å; I6-Y200 HydrophobicContact CG1-CD2 4.47Å; Q197-Y200 PolarHBondContact O-N 3.07Å; Y198-Y200 VanDerWaalsContact C-N 3.29Å; Y198-Y200 PolarHBondContact O-N 3.14Å; Y200-R202 VanDerWaalsContact C-N 3.28Å; Y200-R202 PolarHBondContact O-N 2.97Å; Y200-I203 PolarHBondContact O-N 3.33Å; Y200-I204 HydrophobicContact CD1-CD1 3.37Å; Y200-I204 HydrophobicContact CD1-CG1 3.99Å; Y200-I204 HydrophobicContact CE1-CD1 3.42Å; Y200-I204 VanDerWaalsContact CE1-CD1 3.42Å; Y200-I204 HydrophobicContact CE1-CG1 3.95Å; Y200-I204 HydrophobicContact CG-CD1 4.45Å; Y200-I204 WeakPolarHBondContact O-CG1 3.31Å; Y200-I204 PolarHBondContact O-N 3.27Å
201R46.5Very low57Low174 Ų174102.8 Ų102.866%0.65748%0.481SS*.Hα-helixtrans-59.4-41.4172.3-80.8-169.5170.5-164.7-4.5111.2Q197 I204 F205Q197-R201 PolarHBondContact O-N 2.87Å; R201-I204 PolarHBondContact O-N 3.04Å; R201-F205 WeakPolarHBondContact O-CB 3.4Å; R201-F205 WeakPolarHBondContact O-CD2 3.28Å; R201-F205 PolarHBondContact O-N 2.72Å
202R49.6Very low56.5Low193 Ų193103 Ų10373%0.72849%0.487SS*.Hα-helixtrans-65.4-40.5177.1-133.2177.2-178.4174-0.2112.6Y198 Y200 L206Y198-R202 PolarHBondContact O-N 3.01Å; Y200-R202 VanDerWaalsContact C-N 3.28Å; Y200-R202 PolarHBondContact O-N 2.97Å; R202-L206 WeakPolarHBondContact O-CB 3.32Å; R202-L206 VanDerWaalsContact O-CG 3.24Å; R202-L206 WeakPolarHBondContact O-CG 3.45Å; R202-L206 PolarHBondContact O-N 3.49Å
203I57.5Low56.1Low80 Ų80105.8 Ų105.841%0.4151%0.507SS..Hα-helixtrans-69.8-41.2177.9-67.5165.6000111.4K199 Y200 L206 A207K199-I203 HydrophobicContact CG-CD1 4.23Å; K199-I203 WeakPolarHBondContact O-CD1 3.39Å; K199-I203 VanDerWaalsContact O-CG1 3.28Å; K199-I203 WeakPolarHBondContact O-CG1 3.34Å; K199-I203 PolarHBondContact O-N 3.48Å; K199-I203 VanDerWaalsContact O-N 3.1Å; Y200-I203 PolarHBondContact O-N 3.33Å; I203-L206 PolarHBondContact O-N 2.87Å; I203-A207 VanDerWaalsContact O-CB 3.28Å; I203-A207 WeakPolarHBondContact O-CB 3.47Å; I203-A207 PolarHBondContact O-N 3.24Å
204I57.9Low55.8Low80 Ų80105.6 Ų105.641%0.4151%0.511SS..Hα-helixtrans-62.7-45.3174.6-69.4169000110.2Y200 R201 L206 A207 C208Y200-I204 HydrophobicContact CD1-CD1 3.37Å; Y200-I204 HydrophobicContact CD1-CG1 3.99Å; Y200-I204 HydrophobicContact CE1-CD1 3.42Å; Y200-I204 VanDerWaalsContact CE1-CD1 3.42Å; Y200-I204 HydrophobicContact CE1-CG1 3.95Å; Y200-I204 HydrophobicContact CG-CD1 4.45Å; Y200-I204 WeakPolarHBondContact O-CG1 3.31Å; Y200-I204 PolarHBondContact O-N 3.27Å; R201-I204 PolarHBondContact O-N 3.04Å; I204-L206 PolarHBondContact O-N 3.03Å; I204-A207 PolarHBondContact O-N 3.11Å; I204-C208 VanDerWaalsContact O-CB 3.31Å; I204-C208 WeakPolarHBondContact O-CB 3.31Å; I204-C208 PolarHBondContact O-N 2.96Å; I204-C208 PolarHBondContact O-SG 3.44Å; I204-C208 VanDerWaalsContact O-SG 3.42Å
205F53.5Low55.8Low139 Ų139113.7 Ų113.761%0.6154%0.536SS*.Hα-helixtrans-58.5-48.9176.5-97.7-87.6000111.2R201 A207 C208 D209R201-F205 WeakPolarHBondContact O-CB 3.4Å; R201-F205 WeakPolarHBondContact O-CD2 3.28Å; R201-F205 PolarHBondContact O-N 2.72Å; F205-A207 VanDerWaalsContact C-N 3.34Å; F205-A207 PolarHBondContact O-N 3.23Å; F205-C208 PolarHBondContact O-N 3.37Å; F205-D209 WeakPolarHBondContact O-CB 3.34Å; F205-D209 PolarHBondContact O-N 3.07Å
206L59.2Low56.2Low113 Ų113113.2 Ų113.259%0.59254%0.536SS*.Hα-helixtrans-62.2-37.6176.8-70.7169.1000113.2R202 I203 I204 Y210R202-L206 WeakPolarHBondContact O-CB 3.32Å; R202-L206 VanDerWaalsContact O-CG 3.24Å; R202-L206 WeakPolarHBondContact O-CG 3.45Å; R202-L206 PolarHBondContact O-N 3.49Å; I203-L206 PolarHBondContact O-N 2.87Å; I204-L206 PolarHBondContact O-N 3.03Å; L206-Y210 VanDerWaalsContact O-CB 3.28Å; L206-Y210 WeakPolarHBondContact O-CB 3.19Å; L206-Y210 PolarHBondContact O-N 3.42Å
207A57.3Low56.5Low47 Ų47117.3 Ų117.339%0.38855%0.553SS.*Hα-helixtrans-70.7-37.5176.600000112I203 I204 F205 L211I203-A207 VanDerWaalsContact O-CB 3.28Å; I203-A207 WeakPolarHBondContact O-CB 3.47Å; I203-A207 PolarHBondContact O-N 3.24Å; I204-A207 PolarHBondContact O-N 3.11Å; F205-A207 VanDerWaalsContact C-N 3.34Å; F205-A207 PolarHBondContact O-N 3.23Å; A207-L211 WeakPolarHBondContact O-CB 3.35Å; A207-L211 WeakPolarHBondContact O-CD1 3.44Å; A207-L211 WeakPolarHBondContact O-CG 3.4Å; A207-L211 PolarHBondContact O-N 2.82Å
208C57.7Low57Low65 Ų65119.9 Ų119.944%0.43956%0.562SS.*Hα-helixtrans-67.5-40.1173.7-78.10000111.7I204 F205 L211 S212I204-C208 VanDerWaalsContact O-CB 3.31Å; I204-C208 WeakPolarHBondContact O-CB 3.31Å; I204-C208 PolarHBondContact O-N 2.96Å; I204-C208 PolarHBondContact O-SG 3.44Å; I204-C208 VanDerWaalsContact O-SG 3.42Å; F205-C208 PolarHBondContact O-N 3.37Å; C208-L211 PolarHBondContact O-N 3.27Å; C208-S212 VanDerWaalsContact O-CB 3.28Å; C208-S212 WeakPolarHBondContact O-CB 3.37Å; C208-S212 PolarHBondContact O-N 3.28Å; C208-S212 PolarHBondContact O-OG 3.14Å
209D60.7Low57.6Low95 Ų95118.2 Ų118.251%0.50857%0.565SS.*Hα-helixtrans-65.7-43.7175.4-65.6-22.1000110.4F205 S212 S213F205-D209 WeakPolarHBondContact O-CB 3.34Å; F205-D209 PolarHBondContact O-N 3.07Å; D209-S212 PolarHBondContact O-N 3.44Å; D209-S213 WeakPolarHBondContact O-CB 3.19Å; D209-S213 PolarHBondContact O-N 2.95Å
210Y64.2Low58.3Low168 Ų168117.8 Ų117.866%0.65957%0.571SS**Hα-helixtrans-63.4-44.9175.3-168-96.1000112.1L206 S212 S213 C214L206-Y210 VanDerWaalsContact O-CB 3.28Å; L206-Y210 WeakPolarHBondContact O-CB 3.19Å; L206-Y210 PolarHBondContact O-N 3.42Å; Y210-S212 VanDerWaalsContact C-N 3.33Å; Y210-S212 PolarHBondContact O-N 2.96Å; Y210-S213 PolarHBondContact O-N 3.08Å; Y210-C214 VanDerWaalsContact CE1-SG 3.52Å; Y210-C214 WeakPolarHBondContact O-CB 3.09Å; Y210-C214 PolarHBondContact O-N 3.09Å; Y210-C214 PolarHBondContact O-SG 2.9Å
211L67.7Low58.4Low111 Ų111120.6 Ų120.658%0.58159%0.587SS**Hα-helixtrans-67.3-33.1176.9-72.9167.1000112.5A207 C208 C214 R215A207-L211 WeakPolarHBondContact O-CB 3.35Å; A207-L211 WeakPolarHBondContact O-CD1 3.44Å; A207-L211 WeakPolarHBondContact O-CG 3.4Å; A207-L211 PolarHBondContact O-N 2.82Å; C208-L211 PolarHBondContact O-N 3.27Å; L211-C214 PolarHBondContact O-N 3.3Å; L211-R215 PolarHBondContact O-N 2.82Å
212S66.6Low58.4Low67 Ų67121.9 Ų121.947%0.46960%0.598SS.*Hα-helixtrans-68.1-42.2173.5-60.80000111C208 D209 Y210 R215 Q216C208-S212 VanDerWaalsContact O-CB 3.28Å; C208-S212 WeakPolarHBondContact O-CB 3.37Å; C208-S212 PolarHBondContact O-N 3.28Å; C208-S212 PolarHBondContact O-OG 3.14Å; D209-S212 PolarHBondContact O-N 3.44Å; Y210-S212 VanDerWaalsContact C-N 3.33Å; Y210-S212 PolarHBondContact O-N 2.96Å; S212-R215 PolarHBondContact O-N 2.85Å; S212-Q216 PolarHBondContact O-N 3.07Å
213S68Low58.5Low66 Ų66119.4 Ų119.446%0.46260%0.599SS.*Hα-helixtrans-62.9-40.6172.9-167.90000112.1D209 Y210 Q216 L217D209-S213 WeakPolarHBondContact O-CB 3.19Å; D209-S213 PolarHBondContact O-N 2.95Å; Y210-S213 PolarHBondContact O-N 3.08Å; S213-Q216 PolarHBondContact O-N 3.13Å; S213-L217 WeakPolarHBondContact O-CG 3.42Å; S213-L217 PolarHBondContact O-N 2.66Å; S213-L217 VanDerWaalsContact O-N 3.1Å
214C63.6Low58.1Low42 Ų42121.5 Ų121.528%0.28462%0.618SS.*Hα-helixtrans-68.2-32.8174.9-69.10000112.9Y210 L211 L217 K218Y210-C214 VanDerWaalsContact CE1-SG 3.52Å; Y210-C214 WeakPolarHBondContact O-CB 3.09Å; Y210-C214 PolarHBondContact O-N 3.09Å; Y210-C214 PolarHBondContact O-SG 2.9Å; L211-C214 PolarHBondContact O-N 3.3Å; C214-L217 PolarHBondContact O-N 3.24Å; C214-K218 PolarHBondContact O-N 3.1Å
215R58.7Low57.6Low196 Ų196123.3 Ų123.374%0.7464%0.635SS**Hα-helixtrans-67.6-38.8173-86.3-174.1-175.9-178.11.2111.9L211 S212 L217 K218 N219L211-R215 PolarHBondContact O-N 2.82Å; S212-R215 PolarHBondContact O-N 2.85Å; R215-L217 VanDerWaalsContact C-N 3.35Å; R215-K218 PolarHBondContact O-N 2.95Å; R215-N219 PolarHBondContact O-N 2.91Å
216Q60.5Low57.1Low148 Ų148123.8 Ų123.869%0.69264%0.644SS**Hα-helixtrans-66.1-37.5175-70-160.84.300112.3S212 S213 N219S212-Q216 PolarHBondContact O-N 3.07Å; S213-Q216 PolarHBondContact O-N 3.13Å; Q216-N219 PolarHBondContact O-N 3.46Å
217L56.5Low56Low120 Ų120126 Ų12663%0.62866%0.655SS**Hα-helixtrans-68.7-34.4175.8-72.8165.6000113S213 C214 R215 N220S213-L217 WeakPolarHBondContact O-CG 3.42Å; S213-L217 PolarHBondContact O-N 2.66Å; S213-L217 VanDerWaalsContact O-N 3.1Å; C214-L217 PolarHBondContact O-N 3.24Å; R215-L217 VanDerWaalsContact C-N 3.35Å; L217-N220 PolarHBondContact O-N 3.22Å
218K56.5Low55Low172 Ų172133.7 Ų133.775%0.74868%0.68SS**Hα-helixtrans-71.6-25.7177-79.9-173.8175.8-172.30114.2C214 R215 N220C214-K218 PolarHBondContact O-N 3.1Å; R215-K218 PolarHBondContact O-N 2.95Å; K218-N220 VanDerWaalsContact C-N 3.26Å; K218-N220 PolarHBondContact O-N 3.12Å
219N57.2Low53.8Low144 Ų144135.5 Ų135.577%0.7769%0.694SS**THydrogen-bonded Turntrans-77.8-9.6176.3-78.3-1.1000113.6R215 Q216R215-N219 PolarHBondContact O-N 2.91Å; Q216-N219 PolarHBondContact O-N 3.46Å
220N56.7Low52.8Low149 Ų149138.5 Ų138.580%0.79771%0.708SS**THydrogen-bonded Turntrans-108.75.2-179.7-83.3-18.7000114.9L217 K218L217-N220 PolarHBondContact O-N 3.22Å; K218-N220 VanDerWaalsContact C-N 3.26Å; K218-N220 PolarHBondContact O-N 3.12Å
221Q50.5Low51.5Low164 Ų164136.1 Ų136.177%0.76671%0.713SS**  trans-117.187.5174.5-98.9-179.3-10.300111.3N223Q221-N223 PolarHBondContact O-N 3.38Å; Q221-N223 VanDerWaalsContact O-N 3.14Å
222K46.8Very low50.3Low200 Ų200138.7 Ų138.787%0.8772%0.724SS**  trans-70.893156.4-76.2-179.4176.8179.50107.9
223N51.6Low49.3Very low141 Ų141143 Ų14375%0.75474%0.741SS**  trans163.9123.7149.4-84-25.7000108.8Q221 P225Q221-N223 PolarHBondContact O-N 3.38Å; Q221-N223 VanDerWaalsContact O-N 3.14Å; N223-P225 WeakPolarHBondContact O-CD 3.27Å
224P48.3Very low48.3Very low124 Ų124145.5 Ų145.581%0.80576%0.756SS**  trans-83.6128175.932.2-29.2000110.3
225P47.1Very low47.6Very low119 Ų119152 Ų15277%0.77378%0.78SS**  trans-97.6122.5157.832.2-22.5000109.7N223N223-P225 WeakPolarHBondContact O-CD 3.27Å
226N44.1Very low47.7Very low148 Ų148148.4 Ų148.479%0.79178%0.781SS**  trans19.2133.3149.5-67.4-23000121
227L35.5Very low47.6Very low160 Ų160151.2 Ų151.284%0.83879%0.791SS**  trans-40.7132.1168.3-73.797.5000114.1
228F35.4Very low48Very low208 Ų208151.6 Ų151.691%0.91280%0.799SS**  trans-100.6108.2153.9-86.4-86.8000109.2
229S33.9Very low48.3Very low103 Ų103149 Ų14972%0.7280%0.799SS**PPolyproline II helixtrans-82.6126.4166.4-72.90000109.7
230I39.7Very low47.8Very low158 Ų158150.6 Ų150.681%0.8181%0.808SS**PPolyproline II helixtrans-82.3123.5171.3-59172.7000107.7M232I230-M232 PolarHBondContact O-N 2.78Å
231P37.3Very low47.8Very low118 Ų118146.9 Ų146.977%0.76681%0.805SS**PPolyproline II helixtrans-70.2123.3178.527.2-31.5000110.4
232M41.3Very low48.1Very low166 Ų166149.1 Ų149.182%0.81881%0.812SS**PPolyproline II helixtrans-74.4131.2164.6-76.9-147.87200109.5I230I230-M232 PolarHBondContact O-N 2.78Å
233L45.7Very low47.9Very low156 Ų156145.2 Ų145.282%0.81781%0.81SS**PPolyproline II helixtrans-58.2137.7172.8-72.2165.5000110.5
234P47.8Very low48.2Very low119 Ų119144.1 Ų144.177%0.77381%0.811SS**PPolyproline II helixtrans-70133.9-17927.3-32000111.1
235F49.4Very low48.4Very low180 Ų180143.7 Ų143.779%0.78981%0.81SS**PPolyproline II helixtrans-61.9142.4170.3-73.4-85.5000110.7K237F235-K237 PolarHBondContact O-N 3.06Å
236P60.8Low48.5Very low119 Ų119146 Ų14677%0.77382%0.816SS**PPolyproline II helixtrans-64.2128.1175.124.9-31.3000110.8
237K57.9Low49Very low207 Ų207145 Ų14590%0.982%0.817SS**PPolyproline II helixtrans-64.2129.3172.6-73.1177.7177.41770109.8F235F235-K237 PolarHBondContact O-N 3.06Å
238V64.1Low49.5Very low129 Ų129141.3 Ų141.378%0.78282%0.817SS**PPolyproline II helixtrans-70.9139173.5-176.20000109.4
239P62.4Low50Low117 Ų117136.9 Ų136.976%0.7681%0.812SS**PPolyproline II helixtrans-68.1132.9174.5-11.926.1000111.5G241P239-G241 PolarHBondContact O-N 2.93Å
240N47.2Very low50.7Low177 Ų177137 Ų13795%0.94781%0.813SS**PPolyproline II helixtrans-53.1127.1170.3-87.5-22.1000111.7
241G57.2Low51.2Low72 Ų72135.4 Ų135.474%0.74282%0.816SS**  trans-166.189.6174.100000113.5P239P239-G241 PolarHBondContact O-N 2.93Å
242K55.7Low51.6Low210 Ų210133.6 Ų133.691%0.91382%0.819SS**  trans35.6111.4153.1-66.6-179.8177.7-179.50119.4
243S44Very low51.9Low119 Ų119131.1 Ų131.183%0.83282%0.818SS**  trans-73.2149158.733.60000112.7
244P57.5Low51.9Low118 Ų118134.9 Ų134.977%0.76682%0.821SS**  trans-125.5122144.918.71.1000112.6
245S51.9Low51.8Low114 Ų114133.4 Ų133.480%0.79782%0.819SS**  trans14.6125.2147.953.70000121.7
246L50.4Low51.4Low168 Ų168130.1 Ų130.188%0.8882%0.818SS**  trans-76.6163.8150.2-79.4157.3000111.1
247P54.7Low50.6Low128 Ų128129.8 Ų129.883%0.83182%0.819SS**  -144.5160.1119.737.2-22.8000114.9
248G45.9Very low49.9Very low81 Ų81128.5 Ų128.584%0.83582%0.818SS**  trans118.890.7135.900000117.5
249S44.9Very low49.1Very low115 Ų115130.6 Ų130.680%0.80482%0.823SS**  trans-75155.8171.652.30000115.7
250S48.8Very low47.9Very low107 Ų107130.1 Ų130.175%0.74882%0.823SS**  trans175.2107.4131.640.80000108.5
251S49.3Very low48.1Very low123 Ų123127.7 Ų127.786%0.8682%0.816SS**  76.2119.584.472.30000114.4
252G46.3Very low47.5Very low80 Ų80129.5 Ų129.583%0.82582%0.818SS**  trans170.973.7171.700000114.7
253S47.6Very low46.8Very low115 Ų115124.7 Ų124.780%0.80481%0.811SS**  trans-31.2158.9162.1-43.50000115.1
254R46.2Very low47Very low235 Ų235124.1 Ų124.189%0.88781%0.807SS**  cis17914439.3-142.9170.2-176.7-173.7-0.2108.9
255A44.7Very low46.3Very low88 Ų88123.1 Ų123.173%0.72780%0.803SS**  trans45155.4137.900000121.9
256S41.3Very low45.9Very low110 Ų110124.4 Ų124.477%0.76980%0.8SS**  cis175.3170.7-19.1-91.30000105.7
257S43.8Very low45.4Very low112 Ų112127.1 Ų127.178%0.78380%0.799SS**  trans91.8104.7169.978.70000114.9
258M43.6Very low44.8Very low181 Ų181126.8 Ų126.889%0.89280%0.799SS**  66.9114.975.2-71.5-148.6-174.900112.6
259I48.7Very low44.3Very low172 Ų172134.5 Ų134.588%0.88281%0.805SS**  trans-174.9132.6130.4-85.9146.2000107.8
260S36.9Very low44.1Very low108 Ų108132.5 Ų132.576%0.75580%0.803SS**  trans-120.9-171.5165.4-55.50000107.1
261P51.6Low43.6Very low125 Ų125136.7 Ų136.781%0.81281%0.808SS**  -120.1167.3-77.535.4-19.9000111.2
262S43.4Very low43.1Very low111 Ų111138.7 Ų138.778%0.77681%0.809SS**  trans-159.3118.7162.855.20000114.2
263S42Very low43Very low109 Ų109139.6 Ų139.676%0.76281%0.808SS**  trans5.7135.6140.756.90000120.3
264S46.7Very low42.8Very low107 Ų107139.8 Ų139.875%0.74881%0.807SS**  173.8147.5104.359.10000112.5
265S43.9Very low42.4Very low97 Ų97135.9 Ų135.968%0.67880%0.799SS**  trans22.2137.3148.549.70000119.4
266D42.8Very low42Very low140 Ų140137.2 Ų137.275%0.74980%0.802SS**  -172.6167.655.7-135.5-28.1000113.5
267R40.3Very low41.7Very low226 Ų226141.5 Ų141.585%0.85380%0.801SS**  trans-48.4149.3-178.4-67.6158.9165176.8-3.2116.2
268S41.4Very low41.3Very low120 Ų120145.5 Ų145.584%0.83980%0.804SS**  -179.7147.9111.6500000113.5
269Y37.1Very low41Very low243 Ų243144 Ų14495%0.95380%0.8SS**  trans-70.5135.9-177.4-88.9-109.3000112.6
270G40.5Very low40.2Very low74 Ų74139.6 Ų139.676%0.76380%0.797SS**  trans-150.1100.8169.400000111.3
271K37.3Very low39.9Very low195 Ų195138.4 Ų138.485%0.84880%0.802SS**  trans-50.4136.9168.5-65.8165.9176.7172.90109.4
272N39.8Very low39.1Very low165 Ų165138 Ų13888%0.88280%0.802SS**  trans-179.8121.4138.3-83-25.2000110.3
273A42.7Very low38.8Very low98 Ų98142.8 Ų142.881%0.8181%0.809SS**  trans-79.2140.6172.700000109.9E275A273-E275 PolarHBondContact O-N 2.96Å
274P44.3Very low38.9Very low119 Ų119143.7 Ų143.777%0.77381%0.809SS**  trans-87.2113.5175.531.7-27.6000110.4C276P274-C276 PolarHBondContact O-N 2.84Å
275E37.7Very low38.5Very low153 Ų153144.1 Ų144.172%0.71581%0.812SS**  trans-58.2118.5157.5-98.3-16715700109A273 R277A273-E275 PolarHBondContact O-N 2.96Å; E275-R277 PolarHBondContact O-N 2.79Å; E275-R277 IonicContact OE2-CZ 3.52Å; E275-R277 IonicContact OE2-NE 2.71Å; E275-R277 PolarHBondContact OE2-NE 3.06Å; E275-R277 IonicContact OE2-NH2 3.63Å
276C36.5Very low38.2Very low117 Ų117148.2 Ų148.279%0.79182%0.82SS**  trans-83.590.6167.7-68.40000109.2P274P274-C276 PolarHBondContact O-N 2.84Å
277R34.5Very low38.3Very low199 Ų199151.1 Ų151.175%0.75183%0.826SS**  trans-86.1119.9163.2-73.1-173.9-176-168.2-3.8109.5E275E275-R277 PolarHBondContact O-N 2.79Å; E275-R277 IonicContact OE2-CZ 3.52Å; E275-R277 IonicContact OE2-NE 2.71Å; E275-R277 PolarHBondContact OE2-NE 3.06Å; E275-R277 IonicContact OE2-NH2 3.63Å
278F34.9Very low38.5Very low196 Ų196147.5 Ų147.586%0.8683%0.829SS**  trans-95.399.8166-93.1-88.2000109
279N38.2Very low38.8Very low151 Ų151145 Ų14581%0.80782%0.815SS**  trans-113.6128.1153.3-74.3-17.9000104.6
280G31.8Very low39.6Very low79 Ų79144.2 Ų144.281%0.81481%0.81SS**  cis109.190.240.700000107.3
281G30.1Very low40.1Very low83 Ų83143.4 Ų143.486%0.85679%0.793SS**  trans81103.6162.100000117.2
282S34.9Very low41.2Very low115 Ų115138 Ų13880%0.80477%0.773SS**  trans-123.2118155.4-157.60000109.1V284S282-V284 PolarHBondContact O-N 3.44Å
283K37.9Very low42Very low213 Ų213132.4 Ų132.493%0.92675%0.745SS**  trans-75.1113177.1-69.6177.9177.4177.40108
284V43.9Very low42.7Very low128 Ų128130.3 Ų130.378%0.77672%0.72SS**  trans-102.6124171.4-177.40000109S282S282-V284 PolarHBondContact O-N 3.44Å
285S37.6Very low43.1Very low115 Ų115128.5 Ų128.580%0.80471%0.706SS**  trans-59.8135.5179-1710000112.1K287S285-K287 PolarHBondContact O-N 3.46Å
286H37.8Very low43.6Very low183 Ų183127.1 Ų127.185%0.84770%0.704SS**  trans-71.8107-178.8-82.2-94.6000111.5
287K45.1Very low43.9Very low202 Ų202125.1 Ų125.188%0.87870%0.703SS**  trans-85.1125.4154.9-108.8179.2178.61790108.4S285 A289S285-K287 PolarHBondContact O-N 3.46Å; K287-A289 PolarHBondContact O-N 3.01Å
288V43.7Very low44.2Very low150 Ų150123.5 Ų123.591%0.90971%0.708SS**  trans-66.994.4178.9-179.90000109.3
289A48.8Very low44.7Very low66 Ų66123.1 Ų123.155%0.54571%0.71SS.*  trans-91.4125.1171.800000109.7K287 S291K287-A289 PolarHBondContact O-N 3.01Å; A289-S291 PolarHBondContact O-N 2.93Å
290R53.9Low44.7Very low227 Ų227125.3 Ų125.386%0.85772%0.715SS**  trans-61.6120.8169.6-70.5178.2171.1169.9-2.1108.2G87G87-R290 PolarHBondContact N-O 3.46Å
291S51.2Low45.1Very low57 Ų57124.9 Ų124.940%0.39971%0.71SS.*EExtended strand (participates in β ladder)trans-110.5142.1176.862.50000110.9A289A289-S291 PolarHBondContact O-N 2.93Å
292L61Low45.4Very low83 Ų83125.6 Ų125.644%0.43571%0.708SS.*EExtended strand (participates in β ladder)trans-105.3137.7169.8-65.7174.2000108.8V85 K336V85-L292 HydrophobicContact CB-CB 4.49Å; V85-L292 PolarHBondContact N-O 3.3Å; V85-L292 PolarHBondContact O-N 3.14Å; L292-K336 HydrophobicContact CD2-CB 4.38Å
293T56.3Low45.7Very low46 Ų46127.9 Ų127.928%0.28271%0.711SS.*EExtended strand (participates in β ladder)trans-107.7118.2-175.1-60.30000109.9A82 T295A82-T293 HydrophobicContact CB-CG2 3.17Å; T293-T295 HydrophobicContact CG2-CG2 4.4Å
294L56.6Low46.2Very low55 Ų55123.7 Ų123.729%0.28870%0.703SS.*EExtended strand (participates in β ladder)trans-98106.4176.2-65.8173.6000110.3A82 A83 V85 I92A82-L294 WeakPolarHBondContact CA-O 3.4Å; A82-L294 WeakPolarHBondContact CB-O 3.35Å; A83-L294 HydrophobicContact CB-CB 4.44Å; A83-L294 PolarHBondContact N-O 3.03Å; A83-L294 VanDerWaalsContact N-O 3.1Å; A83-L294 PolarHBondContact O-N 3.44Å; V85-L294 HydrophobicContact CG2-CD1 3.94Å; V85-L294 HydrophobicContact CG2-CG 4.34Å; I92-L294 HydrophobicContact CD1-CD1 4.2Å; I92-L294 HydrophobicContact CG2-CD1 4.45Å
295T53.4Low45.9Very low80 Ų80123.1 Ų123.149%0.49170%0.702SS.*EExtended strand (participates in β ladder)trans-93133.717454.50000110.6A82 T293 G297A82-T295 HydrophobicContact CB-CG2 3.91Å; T293-T295 HydrophobicContact CG2-CG2 4.4Å; T295-G297 PolarHBondContact O-N 3.01Å
296N48.8Very low46.1Very low124 Ų124126 Ų12666%0.66371%0.707SS**  trans-67.8120.3167.4-81.5-13.3000109.5L298N296-L298 PolarHBondContact O-N 3.05Å; N296-L298 VanDerWaalsContact O-N 3.09Å
297G41.7Very low46Very low75 Ų75123.4 Ų123.477%0.77370%0.704SS**  trans-62.5108.1171.100000110.2T295 Q299T295-G297 PolarHBondContact O-N 3.01Å; G297-Q299 PolarHBondContact O-N 3.27Å
298L41.1Very low45.9Very low165 Ų165120.8 Ų120.886%0.86471%0.705SS**  trans-71.3119.7167.7-130.9104.2000107.4N296 H300N296-L298 PolarHBondContact O-N 3.05Å; N296-L298 VanDerWaalsContact O-N 3.09Å; L298-H300 PolarHBondContact O-N 2.94Å
299Q44.9Very low45.7Very low189 Ų189118.8 Ų118.888%0.88370%0.698SS**  trans-66.1117.1169.7-72.2179.1-15.200108.9G297G297-Q299 PolarHBondContact O-N 3.27Å
300H38.1Very low45.6Very low197 Ų197127.3 Ų127.391%0.91272%0.716SS**  trans-80.6109.8157.7-108.8-8.4000107.3L298L298-H300 PolarHBondContact O-N 2.94Å
301G39.8Very low45.4Very low69 Ų69126.1 Ų126.171%0.71172%0.717SS**  trans-131113.616500000107
302A36.5Very low45.4Very low99 Ų99133.3 Ų133.382%0.81874%0.741SS**  trans-75.9128.8174.900000108.7
303D41.9Very low44.6Very low162 Ų162136.9 Ų136.987%0.86676%0.755SS**  trans-139.9137.6161.7-83.2-43.9000110.3
304V47.6Very low44.4Very low126 Ų126144.8 Ų144.876%0.76479%0.786SS**PPolyproline II helixtrans-52.2145.9-171.4178.70000114
305P38.3Very low43.7Very low116 Ų116151.6 Ų151.675%0.75381%0.808SS**PPolyproline II helixtrans-84.8125.9177.432.9-29.3000111.2
306L41.8Very low43.3Very low174 Ų174156 Ų15691%0.91183%0.828SS**PPolyproline II helixtrans-98.1118.5160.3-75.2173.6000110
307T35Very low43.1Very low129 Ų129158.8 Ų158.879%0.79183%0.834SS**PPolyproline II helixtrans-68.7128.4173.531.30000111.9
308V44.1Very low43.2Very low147 Ų147161.7 Ų161.789%0.89184%0.836SS**  trans-148.1121.1143-175.90000110.3
309S38.5Very low43.4Very low109 Ų109158.2 Ų158.276%0.76283%0.831SS**  trans-59.3145.7174.9-73.30000115.3
310R47Very low43.2Very low245 Ų245158.2 Ų158.293%0.92583%0.831SS**  -171.598.1129.5-101.4169-169.1-158.74.2112.3
311K50.6Low43.5Very low202 Ų202155.8 Ų155.888%0.87883%0.83SS**  43.4105.7119.3-157.9174.7-168.6173.60117.7
312K50.6Low43.8Very low208 Ų208157.6 Ų157.690%0.90483%0.832SS**  -178129.2106.2-135.1171.6-178.5175.60111.8
313E43.3Very low44.1Very low157 Ų157157.9 Ų157.973%0.73483%0.834SS**  trans-89.4144-177.1-172.6-178.7173.900111.1
314K53.3Low44.1Very low212 Ų212153.7 Ų153.792%0.92283%0.83SS**  trans-156.2116.9148-110.4-179.8-175.4-172.50110.4
315R41.5Very low44Very low199 Ų199153.8 Ų153.875%0.75184%0.836SS**  trans-62.3146.9177.4-74.3169.6155.9-171.5-5.3113.1
316L45.8Very low44.2Very low173 Ų173152.8 Ų152.891%0.90684%0.838SS**  trans-151.7119.6141.6-113138.9000109.4
317K43.2Very low44.4Very low181 Ų181149 Ų14979%0.78783%0.832SS**  trans-85.4137.8172.9-72.3175.6170.1-176.70108.6
318V44.8Very low45.5Very low137 Ų137150.9 Ų150.983%0.8384%0.836SS**  trans-148.4126143.7177.80000110.4
319A44.4Very low45.9Very low91 Ų91149.4 Ų149.475%0.75283%0.829SS**  trans18130.7156.700000123.4
320Q40.8Very low46.5Very low190 Ų190152.2 Ų152.289%0.88884%0.836SS**  trans-70.5147.1154.8-64.6165.9-45.700111.1
321T44.3Very low46.9Very low146 Ų146145.5 Ų145.590%0.89683%0.826SS**  trans-147.1151145.2220000109.8
322S46.8Very low46.8Very low107 Ų107141.9 Ų141.975%0.74882%0.823SS**  trans-91157.8-149.345.50000116.7
323A43.4Very low46.8Very low104 Ų104139 Ų13986%0.8682%0.816SS**  trans53.4127.8135.400000120.9
324G40.7Very low46.8Very low75 Ų75137.5 Ų137.577%0.77382%0.82SS**  trans175.179.5164.600000114.8
325S46.2Very low46.1Very low128 Ų128131.5 Ų131.590%0.89580%0.802SS**  trans53.2132.9147.2-156.70000122.7
326A42.8Very low46Very low95 Ų95130.4 Ų130.479%0.78580%0.802SS**  trans-74.3150.9175.200000114.1
327A45.3Very low45.4Very low95 Ų95131.9 Ų131.979%0.78580%0.796SS**  trans-160.2110.8145.500000110.8
328L58.4Low45.2Very low167 Ų167126.8 Ų126.887%0.87478%0.78SS**  trans44.1136143.2-68.1161000122.4
329P51.5Low44.7Very low117 Ų117125.5 Ų125.576%0.7678%0.775SS**PPolyproline II helixtrans-92.8131.9-179.635.7-29.2000112.4
330D52.4Low44.3Very low167 Ų167129.9 Ų129.989%0.89378%0.778SS**PPolyproline II helixtrans-76.9136.9162.8-88.7-32.9000111.2
331S54.2Low43.9Very low104 Ų104132.4 Ų132.473%0.72778%0.779SS**PPolyproline II helixtrans-65.1148-170.840.40000114.2
332P50.3Low43.4Very low126 Ų126131 Ų13182%0.81878%0.775SS**PPolyproline II helixtrans-84.8127.1179.532.1-30.3000111.8
333I49.8Very low43.1Very low148 Ų148130.4 Ų130.476%0.75978%0.776SS**PPolyproline II helixtrans-60.6134.7168.3-62.5168.7000109.5T335I333-T335 PolarHBondContact O-N 3.24Å
334P42.1Very low42.8Very low125 Ų125140.7 Ų140.781%0.81279%0.793SS**  trans-68.6107.7-179.327.1-33.1000110.7
335T40.2Very low42.9Very low87 Ų87144 Ų14453%0.53479%0.794SS.*  trans-94.3115.5167.918.30000109.1I333 R337I333-T335 PolarHBondContact O-N 3.24Å; T335-R337 PolarHBondContact O-N 3.36Å; T335-R337 VanDerWaalsContact O-N 3.14Å
336K38Very low42.8Very low176 Ų176144.8 Ų144.877%0.76579%0.789SS**  trans-63.7113.4170.5-80.9-172.3175.4-176.20109L292L292-K336 HydrophobicContact CD2-CB 4.38Å
337R34.5Very low42.8Very low204 Ų204147.6 Ų147.677%0.7779%0.789SS**  trans-79.7125.3168.5-73.8-175.9-176.8-178.12.3109T335T335-R337 PolarHBondContact O-N 3.36Å; T335-R337 VanDerWaalsContact O-N 3.14Å
338V37.4Very low42.6Very low74 Ų74150.7 Ų150.745%0.44879%0.789SS.*  trans-104.8106.6164.4-177.40000106.7F340V338-F340 HydrophobicContact CG1-CD2 3.86Å; V338-F340 HydrophobicContact CG1-CE2 3.49Å; V338-F340 VanDerWaalsContact CG1-CE2 3.49Å; V338-F340 HydrophobicContact CG1-CZ 4.2Å
339C34.8Very low41.6Very low109 Ų109149.7 Ų149.774%0.73678%0.784SS**  trans-91.3118.7170.5-73.60000108.6
340F36.6Very low41Very low184 Ų184151.9 Ų151.981%0.80779%0.786SS**  trans-91.8113164.7-81-83.7000108.9V338 S342V338-F340 HydrophobicContact CG1-CD2 3.86Å; V338-F340 HydrophobicContact CG1-CE2 3.49Å; V338-F340 VanDerWaalsContact CG1-CE2 3.49Å; V338-F340 HydrophobicContact CG1-CZ 4.2Å; F340-S342 PolarHBondContact O-N 3.37Å
341R32.2Very low40.1Very low243 Ų243150.8 Ų150.892%0.91778%0.778SS**  trans-73.6115.2161-87-177.8169.8-177.1-2.9107.4A343R341-A343 PolarHBondContact O-N 3.44Å
342S33.2Very low39.1Very low117 Ų117154.4 Ų154.482%0.81878%0.782SS**  trans-70.6121.5163.1167.90000108F340F340-S342 PolarHBondContact O-N 3.37Å
343A40.5Very low38.1Very low93 Ų93156.8 Ų156.877%0.76978%0.779SS**  trans-87.2122.116700000108.3R341R341-A343 PolarHBondContact O-N 3.44Å
344R38.3Very low37.1Very low321 Ų321157.5 Ų157.5100%1.21178%0.781SS**  trans43.80164.5-67.6-172.9-173.6-169.32.3119.6

Retrieved 344 of 344 residues in 396.8 ms (Link to these results)

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