A0A077Z9J8_TRITR Loading...

Zinc carboxypeptidase superfamily

AlphaFold DB , UniProt , Accession A0A077Z9J8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 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
1M62.1Low86.1Confident223 Ų223110.3 Ų110.3100%1.09960%0.604SS**  0111.10-162.9179.8-66.600105.7
2S75.8Confident86.5Confident84 Ų84108.9 Ų108.959%0.58758%0.583SS**  trans-87.4154.1170.839.20000108.7
3V83.9Confident87.1Confident111 Ų111110.2 Ų110.267%0.67359%0.59SS**  trans-133.7122.4174.7-176.80000107.3I5V3-I5 HydrophobicContact CG1-CD1 4.03Å; V3-I5 HydrophobicContact CG1-CG1 3.81Å
4D84.4Confident87.7Confident83 Ų83116.1 Ų116.144%0.44460%0.6SS.*  trans-91.7126.8175.2-65.4-22.3000109.6Y271D4-Y271 PolarHBondContact OD2-OH 3.34Å
5I88.9Confident88.1Confident123 Ų123111.9 Ų111.963%0.63158%0.578SS**  trans-135.2126.9179.8-53.1179.3000109V3V3-I5 HydrophobicContact CG1-CD1 4.03Å; V3-I5 HydrophobicContact CG1-CG1 3.81Å
6M91.1Very high88.5Confident100 Ų100107.1 Ų107.149%0.49355%0.553SS.*  trans-84.9130.9165.9-176-179.871.900109.3V33 P188 L192M6-V33 HydrophobicContact CG-CG2 4.26Å; M6-V33 HydrophobicContact SD-CB 4.44Å; M6-V33 HydrophobicContact SD-CG1 4.08Å; M6-V33 HydrophobicContact SD-CG2 4.31Å; M6-P188 HydrophobicContact CE-CB 4.13Å; M6-P188 HydrophobicContact SD-CB 3.63Å; M6-L192 HydrophobicContact CE-CD1 4.23Å; M6-L192 HydrophobicContact SD-CD1 3.57Å; M6-L192 VanDerWaalsContact SD-CD1 3.57Å
7V91.7Very high88.9Confident57 Ų57104.4 Ų104.435%0.34555%0.545SS..  trans-118.8136.5-179.567.80000110.9R12 L15V7-R12 HydrophobicContact CG1-CB 4.46Å; V7-L15 HydrophobicContact CB-CD2 3.95Å; V7-L15 HydrophobicContact CG1-CD2 4.38Å; V7-L15 HydrophobicContact CG2-CB 4.33Å; V7-L15 HydrophobicContact CG2-CD2 3.84Å
8D91.1Very high89.3Confident98 Ų98103.2 Ų103.252%0.52454%0.538SS..  trans-62.5138.4170.5-177.2-79.7000109.8K10 G11 R12D8-K10 PolarHBondContact O-N 3.14Å; D8-K10 WeakPolarHBondContact OD1-CB 3.2Å; D8-K10 WeakPolarHBondContact OD1-CG 3.15Å; D8-K10 PolarHBondContact OD1-N 3.48Å; D8-G11 WeakPolarHBondContact O-CA 3.31Å; D8-G11 PolarHBondContact O-N 3.14Å; D8-R12 PolarHBondContact O-N 3.16Å
9P91.4Very high89.6Confident110 Ų11099.8 Ų99.871%0.71452%0.521SS*.THydrogen-bonded Turntrans-51.5-33.7179.9-29.235.5000114.2G11 R12P9-G11 VanDerWaalsContact C-N 3.31Å; P9-G11 PolarHBondContact O-N 3.31Å; P9-R12 WeakPolarHBondContact O-CB 3.2Å; P9-R12 PolarHBondContact O-N 2.77Å
10K93.2Very high89.9Confident197 Ų19798.6 Ų98.686%0.85752%0.521SS*.THydrogen-bonded Turntrans-70.6-27177.6-58.6174.3-178.6174.40112.7D8D8-K10 PolarHBondContact O-N 3.14Å; D8-K10 WeakPolarHBondContact OD1-CB 3.2Å; D8-K10 WeakPolarHBondContact OD1-CG 3.15Å; D8-K10 PolarHBondContact OD1-N 3.48Å
11G93.2Very high90.2Very high27 Ų27100.1 Ų100.128%0.27853%0.53SS..THydrogen-bonded Turntrans-88.1-14.9178.500000114.2D8 P9 N13 R14 L15D8-G11 WeakPolarHBondContact O-CA 3.31Å; D8-G11 PolarHBondContact O-N 3.14Å; P9-G11 VanDerWaalsContact C-N 3.31Å; P9-G11 PolarHBondContact O-N 3.31Å; G11-N13 PolarHBondContact O-N 3.15Å; G11-R14 WeakPolarHBondContact O-CB 3.36Å; G11-R14 PolarHBondContact O-N 2.99Å; G11-L15 PolarHBondContact O-N 3.01Å
12R91.4Very high91.8Very high94 Ų9497.4 Ų97.436%0.35551%0.512SS..Hα-helixtrans-51.7-60.7-172.8176.4-179.9171.4159.33.2113.4V7 D8 P9 R14 L15 E16V7-R12 HydrophobicContact CG1-CB 4.46Å; D8-R12 PolarHBondContact O-N 3.16Å; P9-R12 WeakPolarHBondContact O-CB 3.2Å; P9-R12 PolarHBondContact O-N 2.77Å; R12-R14 PolarHBondContact O-N 3.22Å; R12-R14 VanDerWaalsContact O-N 3.16Å; R12-L15 PolarHBondContact O-N 3.3Å; R12-E16 HydrophobicContact CG-CG 4.34Å; R12-E16 VanDerWaalsContact CG-OE2 3.23Å; R12-E16 WeakPolarHBondContact CG-OE2 3.42Å; R12-E16 IonicContact CZ-OE2 3.83Å; R12-E16 IonicContact NE-OE2 2.91Å; R12-E16 PolarHBondContact NE-OE2 3.47Å; R12-E16 IonicContact NH2-OE2 3.86Å; R12-E16 PolarHBondContact O-N 3.21Å
13N93.7Very high92.7Very high126 Ų12696.5 Ų96.567%0.67452%0.516SS*.Hα-helixtrans-58.6-35.4-175.4-67.3-11.8000112.3G11 S17G11-N13 PolarHBondContact O-N 3.15Å; N13-S17 WeakPolarHBondContact O-CB 3.23Å; N13-S17 PolarHBondContact O-N 2.83Å
14R95.3Very high93.2Very high193 Ų19394.8 Ų94.873%0.72851%0.505SS*.Hα-helixtrans-67.3-44.6176.7-177.9179.9177.6-174.6-0.7111G11 R12 S17 I18G11-R14 WeakPolarHBondContact O-CB 3.36Å; G11-R14 PolarHBondContact O-N 2.99Å; R12-R14 PolarHBondContact O-N 3.22Å; R12-R14 VanDerWaalsContact O-N 3.16Å; R14-S17 PolarHBondContact O-N 2.75Å; R14-I18 HydrophobicContact CG-CD1 4.1Å; R14-I18 VanDerWaalsContact O-CG1 3.29Å; R14-I18 WeakPolarHBondContact O-CG1 3.32Å; R14-I18 PolarHBondContact O-N 3.19Å
15L93.9Very high93.6Very high52 Ų5296.5 Ų96.527%0.27252%0.523SS..Hα-helixtrans-63.9-48.8177.8179.560.5000111.1V7 G11 R12 S17 I18 L19V7-L15 HydrophobicContact CB-CD2 3.95Å; V7-L15 HydrophobicContact CG1-CD2 4.38Å; V7-L15 HydrophobicContact CG2-CB 4.33Å; V7-L15 HydrophobicContact CG2-CD2 3.84Å; G11-L15 PolarHBondContact O-N 3.01Å; R12-L15 PolarHBondContact O-N 3.3Å; L15-S17 VanDerWaalsContact C-N 3.29Å; L15-S17 PolarHBondContact O-N 2.74Å; L15-I18 WeakPolarHBondContact O-CB 3.05Å; L15-I18 PolarHBondContact O-N 3.03Å; L15-I18 VanDerWaalsContact O-N 3.08Å; L15-L19 HydrophobicContact CD1-CD1 4.19Å; L15-L19 HydrophobicContact CD1-CG 4.13Å; L15-L19 HydrophobicContact CG-CD1 3.96Å; L15-L19 HydrophobicContact CG-CG 4.35Å; L15-L19 WeakPolarHBondContact O-CG 3.24Å; L15-L19 PolarHBondContact O-N 2.69Å
16E94.6Very high93.7Very high36 Ų3694.9 Ų94.917%0.16851%0.51CS..Hα-helixtrans-55.4-45.7177.3-68.7-169.69100111.2R12 I18 L19 S20 Y26 F28R12-E16 HydrophobicContact CG-CG 4.34Å; R12-E16 VanDerWaalsContact CG-OE2 3.23Å; R12-E16 WeakPolarHBondContact CG-OE2 3.42Å; R12-E16 IonicContact CZ-OE2 3.83Å; R12-E16 IonicContact NE-OE2 2.91Å; R12-E16 PolarHBondContact NE-OE2 3.47Å; R12-E16 IonicContact NH2-OE2 3.86Å; R12-E16 PolarHBondContact O-N 3.21Å; E16-I18 PolarHBondContact O-N 2.74Å; E16-L19 PolarHBondContact O-N 2.92Å; E16-S20 PolarHBondContact O-N 3.3Å; E16-S20 PolarHBondContact O-OG 3.35Å; E16-Y26 WeakPolarHBondContact CB-OH 3.27Å; E16-Y26 HydrophobicContact CG-CE2 3.96Å; E16-Y26 WeakPolarHBondContact CG-OH 3.47Å; E16-Y26 WeakPolarHBondContact OE1-CE2 3.01Å; E16-Y26 PolarHBondContact OE1-OH 3.01Å; E16-F28 VanDerWaalsContact OE1-CZ 3.32Å; E16-F28 WeakPolarHBondContact OE1-CZ 3.21Å
17S95.9Very high93.6Very high60 Ų6098 Ų9842%0.4252%0.518SS..Hα-helixtrans-60.4-43175.9-177.20000112.8N13 R14 L15 N21N13-S17 WeakPolarHBondContact O-CB 3.23Å; N13-S17 PolarHBondContact O-N 2.83Å; R14-S17 PolarHBondContact O-N 2.75Å; L15-S17 VanDerWaalsContact C-N 3.29Å; L15-S17 PolarHBondContact O-N 2.74Å; S17-N21 VanDerWaalsContact O-CB 3.22Å; S17-N21 WeakPolarHBondContact O-CB 3.22Å; S17-N21 PolarHBondContact O-N 3.47Å; S17-N21 PolarHBondContact O-ND2 2.85Å; S17-N21 VanDerWaalsContact O-ND2 3.1Å; S17-N21 PolarHBondContact OG-ND2 3.35Å
18I95.9Very high93.4Very high83 Ų8399.3 Ų99.343%0.42652%0.519SS..Hα-helixtrans-61.8-46176.6-70.2164.9000110.6R14 L15 E16 N21 K22R14-I18 HydrophobicContact CG-CD1 4.1Å; R14-I18 VanDerWaalsContact O-CG1 3.29Å; R14-I18 WeakPolarHBondContact O-CG1 3.32Å; R14-I18 PolarHBondContact O-N 3.19Å; L15-I18 WeakPolarHBondContact O-CB 3.05Å; L15-I18 PolarHBondContact O-N 3.03Å; L15-I18 VanDerWaalsContact O-N 3.08Å; E16-I18 PolarHBondContact O-N 2.74Å; I18-N21 PolarHBondContact O-N 2.8Å; I18-K22 WeakPolarHBondContact O-CB 3.44Å; I18-K22 VanDerWaalsContact O-CG 3.28Å; I18-K22 WeakPolarHBondContact O-CG 3.42Å; I18-K22 PolarHBondContact O-N 2.54Å
19L95.5Very high93.1Very high39 Ų3997 Ų9720%0.20451%0.508CS..Hα-helixtrans-63.8-49.7-178.6-66.1173000111.2L15 E16 N21 K22 G23 V24 Y26L15-L19 HydrophobicContact CD1-CD1 4.19Å; L15-L19 HydrophobicContact CD1-CG 4.13Å; L15-L19 HydrophobicContact CG-CD1 3.96Å; L15-L19 HydrophobicContact CG-CG 4.35Å; L15-L19 WeakPolarHBondContact O-CG 3.24Å; L15-L19 PolarHBondContact O-N 2.69Å; E16-L19 PolarHBondContact O-N 2.92Å; L19-N21 PolarHBondContact O-N 2.83Å; L19-K22 CarbonylContact O-C 3.31Å; L19-K22 PolarHBondContact O-N 3.36Å; L19-K22 VanDerWaalsContact O-N 3.16Å; L19-G23 PolarHBondContact O-N 2.93Å; L19-G23 VanDerWaalsContact O-N 3.11Å; L19-V24 HydrophobicContact CB-CB 4.33Å; L19-V24 HydrophobicContact CD2-CB 3.93Å; L19-V24 HydrophobicContact CD2-CG1 3.82Å; L19-V24 PolarHBondContact O-N 3.47Å; L19-Y26 HydrophobicContact CB-CD1 3.89Å; L19-Y26 HydrophobicContact CB-CE1 4.23Å; L19-Y26 HydrophobicContact CD1-CD1 3.88Å; L19-Y26 HydrophobicContact CD1-CG 3.91Å
20S94.9Very high93Very high75 Ų7593.4 Ų93.452%0.52448%0.484SS..Hα-helixtrans-59.7-45.1177.1-610000112.2E16 K22 G23E16-S20 PolarHBondContact O-N 3.3Å; E16-S20 PolarHBondContact O-OG 3.35Å; S20-K22 PolarHBondContact O-N 2.81Å; S20-G23 PolarHBondContact O-N 3.17Å
21N96.5Very high92.8Very high132 Ų13290.4 Ų90.471%0.70648%0.477SS*.Hα-helixtrans-64.6-26.5178.7-73.8-23.2000113.2S17 I18 L19S17-N21 VanDerWaalsContact O-CB 3.22Å; S17-N21 WeakPolarHBondContact O-CB 3.22Å; S17-N21 PolarHBondContact O-N 3.47Å; S17-N21 PolarHBondContact O-ND2 2.85Å; S17-N21 VanDerWaalsContact O-ND2 3.1Å; S17-N21 PolarHBondContact OG-ND2 3.35Å; I18-N21 PolarHBondContact O-N 2.8Å; L19-N21 PolarHBondContact O-N 2.83Å
22K95.7Very high92.8Very high166 Ų16693 Ų9372%0.72249%0.485SS*.THydrogen-bonded Turntrans-92.62.1176.3-66.8-65-175-1780113.1I18 L19 S20 V24I18-K22 WeakPolarHBondContact O-CB 3.44Å; I18-K22 VanDerWaalsContact O-CG 3.28Å; I18-K22 WeakPolarHBondContact O-CG 3.42Å; I18-K22 PolarHBondContact O-N 2.54Å; L19-K22 CarbonylContact O-C 3.31Å; L19-K22 PolarHBondContact O-N 3.36Å; L19-K22 VanDerWaalsContact O-N 3.16Å; S20-K22 PolarHBondContact O-N 2.81Å; K22-V24 HydrophobicContact CB-CG2 3.92Å; K22-V24 PolarHBondContact O-N 3.46Å
23G95.2Very high92.9Very high65 Ų6590 Ų9067%0.6748%0.477SS*.THydrogen-bonded Turntrans65.123.6-17700000113.2L19 S20L19-G23 PolarHBondContact O-N 2.93Å; L19-G23 VanDerWaalsContact O-N 3.11Å; S20-G23 PolarHBondContact O-N 3.17Å
24V94.5Very high92.9Very high74 Ų7487.6 Ų87.645%0.44846%0.462SS..  trans-86.3116178.5-178.40000108.5L19 K22L19-V24 HydrophobicContact CB-CB 4.33Å; L19-V24 HydrophobicContact CD2-CB 3.93Å; L19-V24 HydrophobicContact CD2-CG1 3.82Å; L19-V24 PolarHBondContact O-N 3.47Å; K22-V24 HydrophobicContact CB-CG2 3.92Å; K22-V24 PolarHBondContact O-N 3.46Å
25S92.7Very high92.8Very high119 Ų11981.2 Ų81.283%0.83245%0.447SS*.  trans-68.8138.4173.4-530000110.8
26Y91.3Very high92.8Very high89 Ų8979.3 Ų79.335%0.34944%0.437SS..  trans-143.2160.4176.670.1-85.4000110.8E16 L19 F28E16-Y26 WeakPolarHBondContact CB-OH 3.27Å; E16-Y26 HydrophobicContact CG-CE2 3.96Å; E16-Y26 WeakPolarHBondContact CG-OH 3.47Å; E16-Y26 WeakPolarHBondContact OE1-CE2 3.01Å; E16-Y26 PolarHBondContact OE1-OH 3.01Å; L19-Y26 HydrophobicContact CB-CD1 3.89Å; L19-Y26 HydrophobicContact CB-CE1 4.23Å; L19-Y26 HydrophobicContact CD1-CD1 3.88Å; L19-Y26 HydrophobicContact CD1-CG 3.91Å; Y26-F28 HydrophobicContact CD2-CZ 4.5Å; Y26-F28 AromaticContact CE2-CE2 3.98Å; Y26-F28 HydrophobicContact CE2-CE2 3.98Å; Y26-F28 AromaticContact CE2-CZ 3.85Å; Y26-F28 HydrophobicContact CE2-CZ 3.85Å
27Y88.7Confident92.7Very high167 Ų16777.6 Ų77.666%0.65543%0.429SS*.  trans-145.1157.3172.361.6-86.7000109.4T29Y27-T29 HydrophobicContact CD2-CG2 4.07Å; Y27-T29 HydrophobicContact CE2-CG2 3.46Å; Y27-T29 VanDerWaalsContact CE2-CG2 3.46Å
28F86.5Confident92.6Very high83 Ų8377.8 Ų77.836%0.36442%0.423SS..  trans-86.4120.8177-62.4-78.2000110.2E16 Y26 D31E16-F28 VanDerWaalsContact OE1-CZ 3.32Å; E16-F28 WeakPolarHBondContact OE1-CZ 3.21Å; Y26-F28 HydrophobicContact CD2-CZ 4.5Å; Y26-F28 AromaticContact CE2-CE2 3.98Å; Y26-F28 HydrophobicContact CE2-CE2 3.98Å; Y26-F28 AromaticContact CE2-CZ 3.85Å; Y26-F28 HydrophobicContact CE2-CZ 3.85Å; F28-D31 WeakPolarHBondContact CB-OD1 3.45Å
29T85.6Confident92.4Very high50 Ų5078.8 Ų78.831%0.30743%0.426SS..SBendtrans-84.7-41.8171.445.30000111.3Y27 R353Y27-T29 HydrophobicContact CD2-CG2 4.07Å; Y27-T29 HydrophobicContact CE2-CG2 3.46Å; Y27-T29 VanDerWaalsContact CE2-CG2 3.46Å; T29-R353 HydrophobicContact CG2-CG 4.45Å
30V88.8Confident92.1Very high35 Ų3577.8 Ų77.821%0.21242%0.42CS..  trans-138.3117.4179.6-177.80000108.9V33 L36 R353 Y354V30-V33 HydrophobicContact CB-CG2 4.37Å; V30-V33 HydrophobicContact CG1-CB 4.47Å; V30-V33 HydrophobicContact CG1-CG2 3.96Å; V30-L36 HydrophobicContact CB-CD2 4.45Å; V30-L36 HydrophobicContact CG1-CB 4.09Å; V30-L36 HydrophobicContact CG1-CD2 3.74Å; V30-L36 HydrophobicContact CG2-CD2 3.79Å; V30-R353 VanDerWaalsContact CG2-O 3.27Å; V30-R353 WeakPolarHBondContact CG2-O 3.4Å; V30-Y354 HydrophobicContact CG2-CD1 4Å; V30-Y354 HydrophobicContact CG2-CE1 4.45Å
31D88.8Confident91.7Very high133 Ų13374.4 Ų74.471%0.71140%0.396SS*.SBendtrans-73.8-41.3-178.5-67.5-42.3000112.7F28F28-D31 WeakPolarHBondContact CB-OD1 3.45Å
32D92.7Very high91.2Very high81 Ų8169.8 Ų69.843%0.43337%0.373SS..  trans-133.4103.4177-178-10.4000110Q34 S35 L36D32-Q34 VanDerWaalsContact C-N 3.32Å; D32-Q34 PolarHBondContact O-N 3.45Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.46Å; D32-Q34 PolarHBondContact OD1-N 3.04Å; D32-S35 VanDerWaalsContact CG-CB 3.49Å; D32-S35 VanDerWaalsContact CG-OG 3.22Å; D32-S35 PolarHBondContact OD1-N 3.28Å; D32-S35 WeakPolarHBondContact OD2-CB 3.42Å; D32-S35 PolarHBondContact OD2-OG 3.36Å; D32-L36 PolarHBondContact O-N 3.02Å; D32-L36 VanDerWaalsContact O-N 3.1Å
33V93.7Very high90.8Very high31 Ų3167.2 Ų67.219%0.18836%0.363CS..Hα-helixtrans-67-34.6-179.2-176.80000111.5M6 V30 L36 I37 P188 L192 I357M6-V33 HydrophobicContact CG-CG2 4.26Å; M6-V33 HydrophobicContact SD-CB 4.44Å; M6-V33 HydrophobicContact SD-CG1 4.08Å; M6-V33 HydrophobicContact SD-CG2 4.31Å; V30-V33 HydrophobicContact CB-CG2 4.37Å; V30-V33 HydrophobicContact CG1-CB 4.47Å; V30-V33 HydrophobicContact CG1-CG2 3.96Å; V33-L36 PolarHBondContact O-N 2.93Å; V33-I37 HydrophobicContact CG1-CD1 3.99Å; V33-I37 WeakPolarHBondContact O-CD1 3.23Å; V33-I37 VanDerWaalsContact O-CG1 3.26Å; V33-I37 WeakPolarHBondContact O-CG1 3.17Å; V33-I37 PolarHBondContact O-N 3.36Å; V33-P188 HydrophobicContact CB-CB 4.31Å; V33-P188 HydrophobicContact CB-CG 4.01Å; V33-P188 HydrophobicContact CG1-CB 3.88Å; V33-P188 HydrophobicContact CG1-CG 3.96Å; V33-L192 HydrophobicContact CG1-CD1 3.98Å; V33-I357 HydrophobicContact CG1-CD1 3.92Å
34Q94.1Very high90.3Very high76 Ų7666.5 Ų66.536%0.35534%0.342SS..Hα-helixtrans-69.1-45.6-179.6-175.5175-25.400110.3D32 L36 I37 E38 P188D32-Q34 VanDerWaalsContact C-N 3.32Å; D32-Q34 PolarHBondContact O-N 3.45Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.46Å; D32-Q34 PolarHBondContact OD1-N 3.04Å; Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 PolarHBondContact O-N 2.89Å; Q34-I37 PolarHBondContact O-N 3.28Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.19Å; Q34-E38 PolarHBondContact NE2-OE1 2.92Å; Q34-E38 WeakPolarHBondContact O-CG 2.97Å; Q34-E38 PolarHBondContact O-N 3.41Å; Q34-P188 HydrophobicContact CB-CG 3.9Å
35S94.3Very high89.5Confident59 Ų5963.3 Ų63.341%0.41332%0.323SS..Hα-helixtrans-58.9-41.3175.1-71.80000111.8D32 E38 Q39D32-S35 VanDerWaalsContact CG-CB 3.49Å; D32-S35 VanDerWaalsContact CG-OG 3.22Å; D32-S35 PolarHBondContact OD1-N 3.28Å; D32-S35 WeakPolarHBondContact OD2-CB 3.42Å; D32-S35 PolarHBondContact OD2-OG 3.36Å; S35-E38 PolarHBondContact O-N 3.07Å; S35-Q39 WeakPolarHBondContact O-CB 3.37Å; S35-Q39 PolarHBondContact O-N 2.78Å
36L93.4Very high88.7Confident12 Ų1264.6 Ų64.66%0.06331%0.313CS..Hα-helixtrans-62.2-43.7175.6179.365.3000112.2V30 D32 V33 Q34 Q39 M40 Y354 I357V30-L36 HydrophobicContact CB-CD2 4.45Å; V30-L36 HydrophobicContact CG1-CB 4.09Å; V30-L36 HydrophobicContact CG1-CD2 3.74Å; V30-L36 HydrophobicContact CG2-CD2 3.79Å; D32-L36 PolarHBondContact O-N 3.02Å; D32-L36 VanDerWaalsContact O-N 3.1Å; V33-L36 PolarHBondContact O-N 2.93Å; Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 PolarHBondContact O-N 2.89Å; L36-Q39 PolarHBondContact O-N 3.16Å; L36-M40 HydrophobicContact CD1-CE 3.81Å; L36-M40 HydrophobicContact CD1-CG 3.75Å; L36-M40 HydrophobicContact CG-CG 4.35Å; L36-M40 WeakPolarHBondContact O-CB 3.23Å; L36-M40 VanDerWaalsContact O-CG 3.3Å; L36-M40 WeakPolarHBondContact O-CG 3.3Å; L36-M40 PolarHBondContact O-N 2.79Å; L36-Y354 HydrophobicContact CD1-CD1 4.05Å; L36-Y354 HydrophobicContact CD1-CE1 4.01Å; L36-Y354 HydrophobicContact CD1-CG 4.41Å; L36-Y354 HydrophobicContact CD2-CD1 3.43Å; L36-Y354 VanDerWaalsContact CD2-CD1 3.43Å; L36-Y354 HydrophobicContact CD2-CE1 4.05Å; L36-Y354 HydrophobicContact CD2-CG 3.97Å; L36-Y354 HydrophobicContact CG-CD1 4.39Å; L36-I357 HydrophobicContact CD2-CB 4.4Å; L36-I357 HydrophobicContact CD2-CD1 3.84Å; L36-I357 HydrophobicContact CD2-CG2 4.4Å; L36-I357 HydrophobicContact CG-CD1 4.26Å; L36-I357 HydrophobicContact CG-CG2 4.12Å
37I93Very high87.6Confident0 Ų067.5 Ų67.50%033%0.332CS..Hα-helixtrans-60.5-48.4176.3-70.4163.1000110.2V33 Q34 Q39 M40 E41 T186 P188 R191 I357V33-I37 HydrophobicContact CG1-CD1 3.99Å; V33-I37 WeakPolarHBondContact O-CD1 3.23Å; V33-I37 VanDerWaalsContact O-CG1 3.26Å; V33-I37 WeakPolarHBondContact O-CG1 3.17Å; V33-I37 PolarHBondContact O-N 3.36Å; Q34-I37 PolarHBondContact O-N 3.28Å; I37-Q39 PolarHBondContact O-N 2.99Å; I37-M40 PolarHBondContact O-N 3.4Å; I37-E41 WeakPolarHBondContact O-CA 3.42Å; I37-E41 VanDerWaalsContact O-CB 3.26Å; I37-E41 WeakPolarHBondContact O-CB 3.33Å; I37-E41 PolarHBondContact O-N 2.93Å; I37-T186 HydrophobicContact CG2-CG2 4.18Å; I37-P188 HydrophobicContact CD1-CB 4.24Å; I37-P188 HydrophobicContact CD1-CG 4.12Å; I37-R191 HydrophobicContact CD1-CB 3.94Å; I37-R191 HydrophobicContact CD1-CG 3.79Å; I37-R191 HydrophobicContact CG1-CG 4.13Å; I37-R191 HydrophobicContact CG2-CG 4.13Å; I37-I357 HydrophobicContact CD1-CD1 4.21Å; I37-I357 HydrophobicContact CG1-CD1 3.55Å; I37-I357 HydrophobicContact CG1-CG1 3.98Å
38E92.3Very high86.4Confident65 Ų6560.6 Ų60.630%0.30431%0.307SS..Hα-helixtrans-61.5-46-179.3-72.2173.3-176.500111.3Q34 S35 V42 E43 T186Q34-E38 WeakPolarHBondContact CG-OE1 3.19Å; Q34-E38 PolarHBondContact NE2-OE1 2.92Å; Q34-E38 WeakPolarHBondContact O-CG 2.97Å; Q34-E38 PolarHBondContact O-N 3.41Å; S35-E38 PolarHBondContact O-N 3.07Å; E38-V42 WeakPolarHBondContact O-CA 3.34Å; E38-V42 VanDerWaalsContact O-CB 3.24Å; E38-V42 WeakPolarHBondContact O-CB 3.49Å; E38-V42 PolarHBondContact O-N 3.19Å; E38-E43 PolarHBondContact O-N 3.5Å; E38-T186 HydrophobicContact CG-CG2 3.93Å; E38-T186 PolarHBondContact OE1-OG1 2.77Å
39Q91.6Very high85.1Confident103 Ų10359.2 Ų59.248%0.48131%0.308SS..Iπ-helixtrans-60.6-51.2177.2-172.9-176.229.100112.2S35 L36 I37 K44S35-Q39 WeakPolarHBondContact O-CB 3.37Å; S35-Q39 PolarHBondContact O-N 2.78Å; L36-Q39 PolarHBondContact O-N 3.16Å; I37-Q39 PolarHBondContact O-N 2.99Å; Q39-K44 WeakPolarHBondContact O-CB 3.39Å; Q39-K44 PolarHBondContact O-N 3.38Å
40M89.2Confident83.4Confident18 Ų1859.7 Ų59.79%0.08932%0.323CS..Iπ-helixtrans-76.8-35.8-172.5-68.2-64.8175.500112.7L36 I37 P45 Y354 I357 P360L36-M40 HydrophobicContact CD1-CE 3.81Å; L36-M40 HydrophobicContact CD1-CG 3.75Å; L36-M40 HydrophobicContact CG-CG 4.35Å; L36-M40 WeakPolarHBondContact O-CB 3.23Å; L36-M40 VanDerWaalsContact O-CG 3.3Å; L36-M40 WeakPolarHBondContact O-CG 3.3Å; L36-M40 PolarHBondContact O-N 2.79Å; I37-M40 PolarHBondContact O-N 3.4Å; M40-P45 WeakPolarHBondContact O-CD 3.42Å; M40-Y354 HydrophobicContact CE-CD2 4.42Å; M40-Y354 HydrophobicContact CE-CE2 3.99Å; M40-I357 HydrophobicContact CB-CG2 3.9Å; M40-I357 HydrophobicContact CG-CG2 4.13Å; M40-P360 WeakPolarHBondContact O-CD 3.34Å; M40-P360 WeakPolarHBondContact O-CG 3.32Å
41E87.2Confident81.6Confident5 Ų566.5 Ų66.52%0.02335%0.35CS..Iπ-helixtrans-111.4-14-166.8-53.4-175.916900113.7I37 Y69 W136 R191I37-E41 WeakPolarHBondContact O-CA 3.42Å; I37-E41 VanDerWaalsContact O-CB 3.26Å; I37-E41 WeakPolarHBondContact O-CB 3.33Å; I37-E41 PolarHBondContact O-N 2.93Å; E41-Y69 HydrophobicContact CB-CD2 4.5Å; E41-Y69 HydrophobicContact CG-CD2 4.38Å; E41-Y69 HydrophobicContact CG-CE2 4.48Å; E41-W136 VanDerWaalsContact CD-CZ3 3.49Å; E41-W136 HydrophobicContact CG-CZ3 4.34Å; E41-W136 VanDerWaalsContact OE2-CH2 3.27Å; E41-W136 WeakPolarHBondContact OE2-CH2 3.22Å; E41-W136 WeakPolarHBondContact OE2-CZ3 3.36Å; E41-R191 IonicContact OE1-CZ 3.68Å; E41-R191 IonicContact OE1-NE 2.85Å; E41-R191 PolarHBondContact OE1-NE 3.16Å; E41-R191 IonicContact OE1-NH2 3.57Å; E41-R191 PolarHBondContact OE1-NH2 3.23Å; E41-R191 WeakPolarHBondContact OE2-CD 3.45Å; E41-R191 IonicContact OE2-CZ 3.96Å; E41-R191 IonicContact OE2-NE 3.95Å; E41-R191 PolarHBondContact OE2-NE 3.03Å; E41-R191 IonicContact OE2-NH2 3.16Å
42V85.5Confident79.8Confident35 Ų3563.6 Ų63.621%0.21233%0.329CS..Iπ-helixtrans-115.3-52.4177.7-173.90000111.4E38 K46 Y72 T186E38-V42 WeakPolarHBondContact O-CA 3.34Å; E38-V42 VanDerWaalsContact O-CB 3.24Å; E38-V42 WeakPolarHBondContact O-CB 3.49Å; E38-V42 PolarHBondContact O-N 3.19Å; V42-K46 WeakPolarHBondContact O-CD 3.49Å; V42-K46 VanDerWaalsContact O-CG 3.23Å; V42-K46 WeakPolarHBondContact O-CG 3.44Å; V42-Y72 HydrophobicContact CG2-CE2 3.97Å; V42-T186 HydrophobicContact CG2-CG2 3.72Å
43E87.7Confident77.6Confident112 Ų11268.4 Ų68.452%0.52334%0.341SS..Iπ-helixtrans-76.4-54.3-173.1-61.3-178.916600112.1E38 K46 M47E38-E43 PolarHBondContact O-N 3.5Å; E43-K46 WeakPolarHBondContact O-CB 3.42Å; E43-K46 PolarHBondContact O-N 3.35Å; E43-K46 VanDerWaalsContact O-N 3.08Å; E43-M47 PolarHBondContact O-N 3.36Å
44K85.1Confident75.1Confident49 Ų4974.4 Ų74.421%0.21337%0.366CS..Hα-helixtrans-59.4-41.7-176.7-173.2171-177.61780113.7Q39 K46 M47 T48 D359 D361Q39-K44 WeakPolarHBondContact O-CB 3.39Å; Q39-K44 PolarHBondContact O-N 3.38Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 2.84Å; K44-M47 PolarHBondContact O-N 3.29Å; K44-T48 PolarHBondContact O-N 3.37Å; K44-T48 VanDerWaalsContact O-N 3.14Å; K44-T48 PolarHBondContact O-OG1 2.67Å; K44-D359 WeakPolarHBondContact CE-OD1 3.43Å; K44-D359 IonicContact NZ-OD1 2.69Å; K44-D359 PolarHBondContact NZ-OD1 3.06Å; K44-D359 IonicContact NZ-OD2 3.76Å; K44-D359 PolarHBondContact NZ-OD2 3.42Å; K44-D361 WeakPolarHBondContact CE-OD2 3.32Å; K44-D361 IonicContact NZ-OD2 2.72Å; K44-D361 PolarHBondContact NZ-OD2 2.99Å
45P77.4Confident72.9Confident8 Ų875.1 Ų75.15%0.05237%0.373CS..Hα-helixtrans-66.2-28.5175.3-24.737.2000114.3M40 T48 S49 Q68 P360M40-P45 WeakPolarHBondContact O-CD 3.42Å; P45-T48 WeakPolarHBondContact CA-OG1 3.37Å; P45-T48 PolarHBondContact O-OG1 3.2Å; P45-S49 PolarHBondContact O-N 3.27Å; P45-Q68 HydrophobicContact CB-CG 4.32Å; P45-Q68 PolarHBondContact O-NE2 3.48Å; P45-P360 HydrophobicContact CG-CG 3.92Å
46K76.2Confident70.8Confident145 Ų14573.1 Ų73.163%0.6336%0.357SS*.Hα-helixtrans-70.3-36.8174.3-73.7173-176.1176.60111.5V42 E43 K44 S49V42-K46 WeakPolarHBondContact O-CD 3.49Å; V42-K46 VanDerWaalsContact O-CG 3.23Å; V42-K46 WeakPolarHBondContact O-CG 3.44Å; E43-K46 WeakPolarHBondContact O-CB 3.42Å; E43-K46 PolarHBondContact O-N 3.35Å; E43-K46 VanDerWaalsContact O-N 3.08Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 2.84Å; K46-S49 PolarHBondContact O-OG 3.24Å; K46-S49 VanDerWaalsContact O-OG 3.13Å
47M68.5Low68.5Low150 Ų15081.2 Ų81.274%0.73939%0.387SS*.Hα-helixtrans-71.1-37177.8-65.3-179.87500112.5E43 K44E43-M47 PolarHBondContact O-N 3.36Å; K44-M47 PolarHBondContact O-N 3.29Å
48T63.5Low66.3Low23 Ų2383.7 Ų83.714%0.14141%0.407CS..Hα-helixtrans-84.1-17.1-174.649.60000114.1K44 P45 G50 F51 R52K44-T48 PolarHBondContact O-N 3.37Å; K44-T48 VanDerWaalsContact O-N 3.14Å; K44-T48 PolarHBondContact O-OG1 2.67Å; P45-T48 WeakPolarHBondContact CA-OG1 3.37Å; P45-T48 PolarHBondContact O-OG1 3.2Å; T48-G50 PolarHBondContact O-N 3.06Å; T48-G50 VanDerWaalsContact O-N 3.13Å; T48-F51 PolarHBondContact O-N 3.19Å; T48-F51 VanDerWaalsContact O-N 3.11Å; T48-R52 PolarHBondContact O-N 2.9Å
49S57.8Low64.2Low54 Ų5486.3 Ų86.338%0.37843%0.432SS..THydrogen-bonded Turntrans-62.3-23.1-17668.40000114.7P45 K46P45-S49 PolarHBondContact O-N 3.27Å; K46-S49 PolarHBondContact O-OG 3.24Å; K46-S49 VanDerWaalsContact O-OG 3.13Å
50G51.3Low62.5Low60 Ų6086.1 Ų86.162%0.61944%0.442SS*.THydrogen-bonded Turntrans-72-33.1176.200000113.8T48T48-G50 PolarHBondContact O-N 3.06Å; T48-G50 VanDerWaalsContact O-N 3.13Å
51F49.2Very low61Low177 Ų17786.3 Ų86.378%0.77645%0.449SS*.THydrogen-bonded Turntrans-98.3-27.3-168-72.1-84.4000114.2T48T48-F51 PolarHBondContact O-N 3.19Å; T48-F51 VanDerWaalsContact O-N 3.11Å
52R52.3Low59.8Low73 Ų7386.9 Ų86.928%0.27545%0.453SS..  trans-98.214.1-167.9-65.1-167.7178.5158.38.5116.1T48 H54 Y67 D361T48-R52 PolarHBondContact O-N 2.9Å; R52-H54 PolarHBondContact O-N 3.38Å; R52-Y67 HydrophobicContact CB-CD2 4.02Å; R52-Y67 HydrophobicContact CB-CE2 4.22Å; R52-Y67 HydrophobicContact CG-CD2 4.46Å; R52-Y67 HydrophobicContact CG-CE2 4.47Å; R52-D361 IonicContact CZ-OD1 2.68Å; R52-D361 IonicContact NH1-OD1 3.16Å; R52-D361 PolarHBondContact NH1-OD1 3.05Å; R52-D361 VanDerWaalsContact NH2-CG 3.33Å; R52-D361 IonicContact NH2-OD1 3.39Å; R52-D361 PolarHBondContact NH2-OD1 2.91Å; R52-D361 IonicContact NH2-OD2 3.1Å
53R47.2Very low58.9Low182 Ų18291.7 Ų91.769%0.68747%0.471SS*.THydrogen-bonded Turntrans-62.8-12176.8-79-176.4166.5-174.9-3.4114.3
54H40.8Very low58Low156 Ų15687.8 Ų87.872%0.72245%0.454SS*.THydrogen-bonded Turntrans-88.7-21.8-170.6-69.1-72.1000115.5R52 F56R52-H54 PolarHBondContact O-N 3.38Å; H54-F56 VanDerWaalsContact C-N 3.31Å; H54-F56 PolarHBondContact O-N 2.93Å
55D47.2Very low57.3Low92 Ų9287 Ų8749%0.49245%0.452SS..THydrogen-bonded Turntrans-77.8-12.4-174.4-78.7-8.3000114.3Y67D55-Y67 PolarHBondContact OD2-OH 3.07Å
56F49.5Very low57Low17 Ų1786.9 Ų86.98%0.07545%0.451CS..THydrogen-bonded Turntrans-131.411.2-167-55-66.6000115.7H54 A58 F63 F66 Y67 L364H54-F56 VanDerWaalsContact C-N 3.31Å; H54-F56 PolarHBondContact O-N 2.93Å; F56-A58 PolarHBondContact O-N 3.09Å; F56-F63 HydrophobicContact CB-CE2 4.35Å; F56-F66 AromaticContact CD1-CD2 3.85Å; F56-F66 HydrophobicContact CD1-CD2 3.85Å; F56-F66 HydrophobicContact CD1-CE2 4.18Å; F56-F66 AromaticContact CE1-CD2 3.35Å; F56-F66 HydrophobicContact CE1-CD2 3.35Å; F56-F66 AromaticContact CE1-CE2 3.94Å; F56-F66 HydrophobicContact CE1-CE2 3.94Å; F56-F66 HydrophobicContact CE1-CG 4.35Å; F56-F66 HydrophobicContact CE2-CB 4.5Å; F56-F66 HydrophobicContact CE2-CD2 4.37Å; F56-F66 HydrophobicContact CZ-CB 4.01Å; F56-F66 AromaticContact CZ-CD2 3.64Å; F56-F66 HydrophobicContact CZ-CD2 3.64Å; F56-F66 HydrophobicContact CZ-CG 4.28Å; F56-Y67 AromaticContact CE2-CD2 3.57Å; F56-Y67 HydrophobicContact CE2-CD2 3.57Å; F56-Y67 AromaticContact CE2-CE2 3.34Å; F56-Y67 HydrophobicContact CE2-CE2 3.34Å; F56-Y67 HydrophobicContact CZ-CD2 4.21Å; F56-Y67 AromaticContact CZ-CE2 3.71Å; F56-Y67 HydrophobicContact CZ-CE2 3.71Å; F56-L364 HydrophobicContact CE1-CD2 4.48Å; F56-L364 HydrophobicContact CZ-CD1 4.45Å; F56-L364 HydrophobicContact CZ-CD2 3.92Å
57R45.9Very low56.3Low182 Ų18280.9 Ų80.969%0.68742%0.424SS*.  trans-77.178.9168.9-79.3-175.7170.9-179.9-2.7109.6S59R57-S59 PolarHBondContact O-N 2.94Å
58A47.1Very low55.9Low51 Ų5176 Ų7642%0.42140%0.4SS..  trans-63.798.2138.200000104.4F56 S60 G61F56-A58 PolarHBondContact O-N 3.09Å; A58-S60 PolarHBondContact O-N 3.08Å; A58-G61 PolarHBondContact O-N 2.82Å
59S48.9Very low55.7Low121 Ų12175.7 Ų75.785%0.84640%0.396SS*.THydrogen-bonded Turntrans-58.57.1-170.239.20000115.4R57R57-S59 PolarHBondContact O-N 2.94Å
60S55Low55.2Low98 Ų9876 Ų7669%0.68539%0.391SS*.THydrogen-bonded Turntrans-157.717.9173.651.80000113.7A58A58-S60 PolarHBondContact O-N 3.08Å
61G57.4Low55Low22 Ų2279.1 Ų79.123%0.22739%0.394CS..SBendtrans-109.6171.1-171.700000115.3A58 F63A58-G61 PolarHBondContact O-N 2.82Å; G61-F63 PolarHBondContact O-N 3.16Å; G61-F63 VanDerWaalsContact O-N 3.1Å
62P63.4Low55.3Low18 Ų1873.7 Ų73.712%0.11737%0.369CS..  trans-45.6114.5167-31.638.3000111.3Y82 S85 V86 R89 Y90P62-Y82 HydrophobicContact CB-CD2 4.04Å; P62-Y82 HydrophobicContact CB-CE2 3.67Å; P62-S85 VanDerWaalsContact CB-OG 3.31Å; P62-S85 WeakPolarHBondContact CB-OG 3.4Å; P62-V86 HydrophobicContact CB-CG2 3.87Å; P62-V86 HydrophobicContact CG-CG2 3.98Å; P62-R89 HydrophobicContact CG-CB 3.89Å; P62-R89 HydrophobicContact CG-CG 4.29Å; P62-Y90 HydrophobicContact CG-CE2 4.34Å
63F65.2Low55.2Low135 Ų13573.9 Ų73.959%0.59238%0.381SS*.  trans-92.7131.2179.3177.9-100000110.1F56 G61 N65F56-F63 HydrophobicContact CB-CE2 4.35Å; G61-F63 PolarHBondContact O-N 3.16Å; G61-F63 VanDerWaalsContact O-N 3.1Å; F63-N65 HydrophobicContact CE1-CB 4.28Å; F63-N65 HydrophobicContact CZ-CB 4.11Å
64I69.3Low56.1Low30 Ų3070.6 Ų70.615%0.15437%0.374CS..  trans-141.9140163.3-167.9173.1000109.1F66 Y82 V143I64-F66 HydrophobicContact CG2-CD2 4.06Å; I64-F66 HydrophobicContact CG2-CE1 4.08Å; I64-F66 HydrophobicContact CG2-CE2 3.4Å; I64-F66 VanDerWaalsContact CG2-CE2 3.4Å; I64-F66 HydrophobicContact CG2-CZ 3.41Å; I64-F66 VanDerWaalsContact CG2-CZ 3.41Å; I64-Y82 HydrophobicContact CB-CD2 3.66Å; I64-Y82 HydrophobicContact CB-CE2 3.94Å; I64-Y82 HydrophobicContact CB-CG 4.08Å; I64-Y82 HydrophobicContact CD1-CD1 4.2Å; I64-Y82 HydrophobicContact CD1-CG 4.08Å; I64-Y82 HydrophobicContact CG2-CD2 3.95Å; I64-Y82 HydrophobicContact CG2-CE2 3.68Å; I64-Y82 HydrophobicContact CG2-CG 4.47Å; I64-V143 HydrophobicContact CD1-CB 4.28Å; I64-V143 HydrophobicContact CD1-CG1 3.29Å
65N70.3Confident57.6Low32 Ų3263.4 Ų63.417%0.17134%0.341CS..  trans-97.5112.9174.5-175-4.7000109.9F63 Y67 Q68 H70F63-N65 HydrophobicContact CE1-CB 4.28Å; F63-N65 HydrophobicContact CZ-CB 4.11Å; N65-Y67 VanDerWaalsContact C-N 3.31Å; N65-Y67 PolarHBondContact O-N 2.94Å; N65-Y67 PolarHBondContact OD1-N 3.21Å; N65-Q68 VanDerWaalsContact ND2-CD 3.26Å; N65-Q68 VanDerWaalsContact ND2-CG 3.31Å; N65-Q68 WeakPolarHBondContact ND2-CG 3.39Å; N65-Q68 PolarHBondContact ND2-OE1 2.84Å; N65-H70 WeakPolarHBondContact CB-NE2 3.35Å
66F70.4Confident59.1Low7 Ų759.5 Ų59.53%0.03132%0.32CS..THydrogen-bonded Turntrans-79.9-9.1179.9-68.5-78.5000114.5F56 I64 T140 V143 Y144 F147 L363 L364F56-F66 AromaticContact CD1-CD2 3.85Å; F56-F66 HydrophobicContact CD1-CD2 3.85Å; F56-F66 HydrophobicContact CD1-CE2 4.18Å; F56-F66 AromaticContact CE1-CD2 3.35Å; F56-F66 HydrophobicContact CE1-CD2 3.35Å; F56-F66 AromaticContact CE1-CE2 3.94Å; F56-F66 HydrophobicContact CE1-CE2 3.94Å; F56-F66 HydrophobicContact CE1-CG 4.35Å; F56-F66 HydrophobicContact CE2-CB 4.5Å; F56-F66 HydrophobicContact CE2-CD2 4.37Å; F56-F66 HydrophobicContact CZ-CB 4.01Å; F56-F66 AromaticContact CZ-CD2 3.64Å; F56-F66 HydrophobicContact CZ-CD2 3.64Å; F56-F66 HydrophobicContact CZ-CG 4.28Å; I64-F66 HydrophobicContact CG2-CD2 4.06Å; I64-F66 HydrophobicContact CG2-CE1 4.08Å; I64-F66 HydrophobicContact CG2-CE2 3.4Å; I64-F66 VanDerWaalsContact CG2-CE2 3.4Å; I64-F66 HydrophobicContact CG2-CZ 3.41Å; I64-F66 VanDerWaalsContact CG2-CZ 3.41Å; F66-T140 HydrophobicContact CD1-CG2 4.08Å; F66-V143 HydrophobicContact CE1-CB 4.29Å; F66-V143 HydrophobicContact CE1-CG1 4.11Å; F66-V143 HydrophobicContact CZ-CG1 4.45Å; F66-Y144 HydrophobicContact CE1-CD2 4.19Å; F66-Y144 HydrophobicContact CE2-CD2 4.38Å; F66-Y144 HydrophobicContact CZ-CD2 4.1Å; F66-F147 HydrophobicContact CE2-CB 4.24Å; F66-F147 HydrophobicContact CE2-CD1 4.31Å; F66-F147 HydrophobicContact CE2-CD2 4.2Å; F66-F147 AromaticContact CE2-CG 3.99Å; F66-F147 HydrophobicContact CE2-CG 3.99Å; F66-F147 HydrophobicContact CZ-CB 3.71Å; F66-F147 HydrophobicContact CZ-CD1 4.46Å; F66-F147 HydrophobicContact CZ-CD2 4.46Å; F66-F147 AromaticContact CZ-CG 3.98Å; F66-F147 HydrophobicContact CZ-CG 3.98Å; F66-L363 WeakPolarHBondContact O-CD1 3.49Å; F66-L364 HydrophobicContact CB-CD1 4.09Å; F66-L364 HydrophobicContact CD2-CD1 4.47Å; F66-L364 HydrophobicContact CG-CD1 4.18Å
67Y61.5Low60.6Low19 Ų1962.9 Ų62.98%0.07534%0.339CS..THydrogen-bonded Turntrans-102.70.4-176.6-62.5-68.1000113.8R52 D55 F56 N65 L364R52-Y67 HydrophobicContact CB-CD2 4.02Å; R52-Y67 HydrophobicContact CB-CE2 4.22Å; R52-Y67 HydrophobicContact CG-CD2 4.46Å; R52-Y67 HydrophobicContact CG-CE2 4.47Å; D55-Y67 PolarHBondContact OD2-OH 3.07Å; F56-Y67 AromaticContact CE2-CD2 3.57Å; F56-Y67 HydrophobicContact CE2-CD2 3.57Å; F56-Y67 AromaticContact CE2-CE2 3.34Å; F56-Y67 HydrophobicContact CE2-CE2 3.34Å; F56-Y67 HydrophobicContact CZ-CD2 4.21Å; F56-Y67 AromaticContact CZ-CE2 3.71Å; F56-Y67 HydrophobicContact CZ-CE2 3.71Å; N65-Y67 VanDerWaalsContact C-N 3.31Å; N65-Y67 PolarHBondContact O-N 2.94Å; N65-Y67 PolarHBondContact OD1-N 3.21Å; Y67-L364 HydrophobicContact CE1-CB 3.85Å; Y67-L364 HydrophobicContact CE1-CD2 4.22Å; Y67-L364 HydrophobicContact CE2-CD2 4.34Å; Y67-L364 WeakPolarHBondContact OH-CD2 3.35Å
68Q61.2Low62.5Low47 Ų4757.9 Ų57.922%0.2232%0.323CS..  trans-122.7119.5-179.6-74.2-171.7-38.500110.5P45 N65 H70P45-Q68 HydrophobicContact CB-CG 4.32Å; P45-Q68 PolarHBondContact O-NE2 3.48Å; N65-Q68 VanDerWaalsContact ND2-CD 3.26Å; N65-Q68 VanDerWaalsContact ND2-CG 3.31Å; N65-Q68 WeakPolarHBondContact ND2-CG 3.39Å; N65-Q68 PolarHBondContact ND2-OE1 2.84Å; Q68-H70 PolarHBondContact O-CD2 2.89Å; Q68-H70 PolarHBondContact O-N 3.33Å; Q68-H70 PolarHBondContact OE1-CE1 2.96Å; Q68-H70 PolarHBondContact OE1-ND1 3.24Å
69Y58.5Low64.5Low16 Ų1656.2 Ų56.26%0.06331%0.307CS..  trans-76.776.1156-49.7-69.5000107.5E41 W136 R183 V358 P360 L363E41-Y69 HydrophobicContact CB-CD2 4.5Å; E41-Y69 HydrophobicContact CG-CD2 4.38Å; E41-Y69 HydrophobicContact CG-CE2 4.48Å; Y69-W136 HydrophobicContact CD1-CB 4.33Å; Y69-W136 HydrophobicContact CD1-CD2 4.24Å; Y69-W136 AromaticContact CD1-CE3 3.42Å; Y69-W136 HydrophobicContact CD1-CE3 3.42Å; Y69-W136 VanDerWaalsContact CD1-CE3 3.42Å; Y69-W136 HydrophobicContact CD1-CZ3 4.11Å; Y69-W136 HydrophobicContact CD2-CE3 4.04Å; Y69-W136 HydrophobicContact CD2-CZ3 4.16Å; Y69-W136 HydrophobicContact CE1-CB 3.7Å; Y69-W136 HydrophobicContact CE1-CD2 4.32Å; Y69-W136 AromaticContact CE1-CE3 3.65Å; Y69-W136 HydrophobicContact CE1-CE3 3.65Å; Y69-W136 HydrophobicContact CE1-CG 4.42Å; Y69-W136 HydrophobicContact CE2-CE3 4.22Å; Y69-W136 AromaticContact CG-CE3 3.61Å; Y69-W136 HydrophobicContact CG-CE3 3.61Å; Y69-W136 AromaticContact CG-CZ3 3.83Å; Y69-W136 HydrophobicContact CG-CZ3 3.83Å; Y69-R183 VanDerWaalsContact CB-NH1 3.34Å; Y69-R183 PolarHBondContact O-NH2 3.17Å; Y69-V358 PolarHBondContact OH-O 2.83Å; Y69-P360 HydrophobicContact CD2-CG 4.49Å; Y69-P360 HydrophobicContact CE2-CG 4.16Å; Y69-L363 HydrophobicContact CD1-CD1 4.12Å; Y69-L363 HydrophobicContact CD2-CD1 4.48Å; Y69-L363 HydrophobicContact CE1-CD1 3.42Å; Y69-L363 VanDerWaalsContact CE1-CD1 3.42Å; Y69-L363 HydrophobicContact CE1-CD2 3.9Å; Y69-L363 HydrophobicContact CE1-CG 4.15Å; Y69-L363 HydrophobicContact CE2-CD1 3.86Å; Y69-L363 WeakPolarHBondContact OH-CD1 3.48Å; Y69-L363 WeakPolarHBondContact OH-CD2 3.26Å; Y69-L363 WeakPolarHBondContact OH-CG 3.38Å
70H48.2Very low66.6Low60 Ų6051.1 Ų51.128%0.27827%0.271SS..  trans-62.5130.9-171.7-68.4-82.1000114.4N65 Q68 Q78 R183N65-H70 WeakPolarHBondContact CB-NE2 3.35Å; Q68-H70 PolarHBondContact O-CD2 2.89Å; Q68-H70 PolarHBondContact O-N 3.33Å; Q68-H70 PolarHBondContact OE1-CE1 2.96Å; Q68-H70 PolarHBondContact OE1-ND1 3.24Å; H70-Q78 VanDerWaalsContact CB-OE1 3.29Å; H70-Q78 PolarHBondContact CD2-OE1 2.9Å; H70-Q78 VanDerWaalsContact CD2-OE1 3.27Å; H70-R183 PolarHBondContact O-NH2 2.88Å
71N47.6Very low68.2Low127 Ų12750 Ų5068%0.67926%0.264SS*.  trans24.1142169.9-87.20000121S73 R183N71-S73 PolarHBondContact O-N 3.22Å; N71-R183 PolarHBondContact O-NH2 3.3Å
72Y54.4Low69.9Low62 Ų6249.2 Ų49.224%0.24325%0.254CS..SBendtrans-73.130.9-168.7-76.7-92.4000116.4V42 R183 S185 T186V42-Y72 HydrophobicContact CG2-CE2 3.97Å; Y72-R183 CarbonylContact C-O 3.58Å; Y72-R183 WeakPolarHBondContact CA-O 3.25Å; Y72-R183 VanDerWaalsContact CB-O 3.23Å; Y72-R183 WeakPolarHBondContact CB-O 3.33Å; Y72-R183 VanDerWaalsContact CD1-C 3.42Å; Y72-R183 WeakPolarHBondContact CD1-O 3.08Å; Y72-S185 VanDerWaalsContact CD1-N 3.32Å; Y72-S185 WeakPolarHBondContact CE1-O 3.32Å; Y72-T186 HydrophobicContact CE1-CG2 4.23Å; Y72-T186 HydrophobicContact CE2-CG2 3.98Å; Y72-T186 WeakPolarHBondContact OH-CG2 3.41Å
73S51.4Low71.3Confident77 Ų7748.4 Ų48.454%0.53825%0.249SC..SBendtrans-153.9129.817159.70000109.5N71N71-S73 PolarHBondContact O-N 3.22Å
74E65.1Low72.8Confident114 Ų11445.6 Ų45.653%0.53324%0.235SC..  trans78.636.9168.5-50.5-175.115200116.5T76 L77 Q78 E180E74-T76 PolarHBondContact O-N 3.35Å; E74-L77 HydrophobicContact CB-CB 3.97Å; E74-L77 HydrophobicContact CB-CD1 3.66Å; E74-L77 HydrophobicContact CB-CG 3.83Å; E74-L77 HydrophobicContact CG-CD1 3.7Å; E74-L77 HydrophobicContact CG-CG 4.32Å; E74-L77 WeakPolarHBondContact O-CB 3.48Å; E74-L77 PolarHBondContact O-N 2.85Å; E74-L77 VanDerWaalsContact O-N 3.13Å; E74-Q78 PolarHBondContact O-N 3.43Å; E74-E180 WeakPolarHBondContact CA-OE2 3.27Å; E74-E180 PolarHBondContact N-OE2 2.54Å
75S72.7Confident73.9Confident5 Ų545.2 Ų45.24%0.03524%0.235CC..Hα-helixtrans-65.5-37.9179.9-61.60000112.9L77 Q78 I79 E180 R183S75-L77 VanDerWaalsContact C-N 3.29Å; S75-L77 PolarHBondContact O-N 3.22Å; S75-Q78 WeakPolarHBondContact O-CB 3.36Å; S75-Q78 PolarHBondContact O-N 3.34Å; S75-I79 PolarHBondContact O-N 3.46Å; S75-E180 PolarHBondContact N-OE1 2.74Å; S75-E180 PolarHBondContact N-OE2 3.47Å; S75-R183 WeakPolarHBondContact OG-CG 3.3Å; S75-R183 PolarHBondContact OG-NE 3.33Å
76T77.4Confident75Confident9 Ų943.7 Ų43.76%0.05523%0.226CC..Hα-helixtrans-64.3-33.9173.2-46.60000110.8E74 Q78 I79 S80 P176 E180E74-T76 PolarHBondContact O-N 3.35Å; T76-Q78 VanDerWaalsContact C-N 3.31Å; T76-Q78 PolarHBondContact O-N 2.98Å; T76-I79 PolarHBondContact O-N 3.26Å; T76-S80 WeakPolarHBondContact O-CB 3.41Å; T76-S80 PolarHBondContact O-N 2.95Å; T76-S80 PolarHBondContact O-OG 3.43Å; T76-P176 HydrophobicContact CG2-CB 3.9Å; T76-E180 WeakPolarHBondContact CA-OE1 3.25Å; T76-E180 WeakPolarHBondContact CB-OE1 3.49Å; T76-E180 PolarHBondContact N-OE1 2.84Å; T76-E180 PolarHBondContact OG1-OE1 2.74Å
77L82.9Confident76.2Confident89 Ų8946.2 Ų46.247%0.46624%0.238SC..Hα-helixtrans-66.9-33.8175.6-63.1-171.2000111.9E74 S75 S81E74-L77 HydrophobicContact CB-CB 3.97Å; E74-L77 HydrophobicContact CB-CD1 3.66Å; E74-L77 HydrophobicContact CB-CG 3.83Å; E74-L77 HydrophobicContact CG-CD1 3.7Å; E74-L77 HydrophobicContact CG-CG 4.32Å; E74-L77 WeakPolarHBondContact O-CB 3.48Å; E74-L77 PolarHBondContact O-N 2.85Å; E74-L77 VanDerWaalsContact O-N 3.13Å; S75-L77 VanDerWaalsContact C-N 3.29Å; S75-L77 PolarHBondContact O-N 3.22Å; L77-S81 WeakPolarHBondContact O-CB 3.47Å; L77-S81 PolarHBondContact O-N 3Å; L77-S81 PolarHBondContact O-OG 3.12Å
78Q84.1Confident77.8Confident77 Ų7753.5 Ų53.536%0.3627%0.266SS..Hα-helixtrans-66.9-48.4176.3-64.1174.227.800111.4H70 E74 S75 T76 S80 S81 Y82H70-Q78 VanDerWaalsContact CB-OE1 3.29Å; H70-Q78 PolarHBondContact CD2-OE1 2.9Å; H70-Q78 VanDerWaalsContact CD2-OE1 3.27Å; E74-Q78 PolarHBondContact O-N 3.43Å; S75-Q78 WeakPolarHBondContact O-CB 3.36Å; S75-Q78 PolarHBondContact O-N 3.34Å; T76-Q78 VanDerWaalsContact C-N 3.31Å; T76-Q78 PolarHBondContact O-N 2.98Å; Q78-S80 VanDerWaalsContact C-N 3.34Å; Q78-S80 PolarHBondContact O-N 3.43Å; Q78-S81 PolarHBondContact O-N 3.39Å; Q78-Y82 PolarHBondContact O-N 3.39Å
79I90.3Very high79.2Confident15 Ų1557 Ų578%0.07728%0.277CS..Hα-helixtrans-60.9-46.6175.7-65.4174.7000109.6S75 T76 S81 Y82 L83 Q139 V143 P172 V173 Y179S75-I79 PolarHBondContact O-N 3.46Å; T76-I79 PolarHBondContact O-N 3.26Å; I79-S81 PolarHBondContact O-N 2.9Å; I79-Y82 WeakPolarHBondContact O-CB 3.32Å; I79-Y82 PolarHBondContact O-N 3Å; I79-Y82 VanDerWaalsContact O-N 3.17Å; I79-L83 HydrophobicContact CG2-CG 4.49Å; I79-L83 WeakPolarHBondContact O-CG 3.21Å; I79-L83 PolarHBondContact O-N 3.21Å; I79-Q139 HydrophobicContact CD1-CB 4.47Å; I79-V143 HydrophobicContact CD1-CG2 4.39Å; I79-V143 HydrophobicContact CG1-CG2 4.31Å; I79-V143 HydrophobicContact CG2-CG2 3.96Å; I79-P172 HydrophobicContact CG2-CB 4.03Å; I79-P172 HydrophobicContact CG2-CG 4.28Å; I79-V173 HydrophobicContact CB-CG2 4.44Å; I79-V173 HydrophobicContact CD1-CG2 3.53Å; I79-V173 HydrophobicContact CG2-CG2 4.15Å; I79-Y179 HydrophobicContact CD1-CE1 3.95Å
80S91.5Very high80.8Confident14 Ų1457.9 Ų57.910%0.09828%0.28CS..Hα-helixtrans-58.7-45.8177.7-59.30000112.2T76 Q78 Y82 L83 Y84 L109T76-S80 WeakPolarHBondContact O-CB 3.41Å; T76-S80 PolarHBondContact O-N 2.95Å; T76-S80 PolarHBondContact O-OG 3.43Å; Q78-S80 VanDerWaalsContact C-N 3.34Å; Q78-S80 PolarHBondContact O-N 3.43Å; S80-Y82 VanDerWaalsContact C-N 3.3Å; S80-Y82 PolarHBondContact O-N 2.95Å; S80-L83 PolarHBondContact O-N 2.57Å; S80-Y84 WeakPolarHBondContact O-CD2 3.49Å; S80-Y84 PolarHBondContact O-N 3.11Å; S80-L109 VanDerWaalsContact OG-CD1 3.32Å; S80-L109 WeakPolarHBondContact OG-CD1 3.41Å
81S90.1Very high83Confident75 Ų7558.7 Ų58.752%0.52429%0.291SS..Hα-helixtrans-61.3-40.2177.1-65.50000111.7L77 Q78 I79 S85L77-S81 WeakPolarHBondContact O-CB 3.47Å; L77-S81 PolarHBondContact O-N 3Å; L77-S81 PolarHBondContact O-OG 3.12Å; Q78-S81 PolarHBondContact O-N 3.39Å; I79-S81 PolarHBondContact O-N 2.9Å; S81-S85 WeakPolarHBondContact O-CB 3.15Å; S81-S85 PolarHBondContact O-N 3.26Å; S81-S85 PolarHBondContact O-OG 3.48Å
82Y91.6Very high85.2Confident5 Ų558.3 Ų58.32%0.0229%0.289CS..Hα-helixtrans-60.2-50.2173.1174.5-106.2000111.1P62 I64 Q78 I79 S80 Y84 S85 V86 V143 I146 F147P62-Y82 HydrophobicContact CB-CD2 4.04Å; P62-Y82 HydrophobicContact CB-CE2 3.67Å; I64-Y82 HydrophobicContact CB-CD2 3.66Å; I64-Y82 HydrophobicContact CB-CE2 3.94Å; I64-Y82 HydrophobicContact CB-CG 4.08Å; I64-Y82 HydrophobicContact CD1-CD1 4.2Å; I64-Y82 HydrophobicContact CD1-CG 4.08Å; I64-Y82 HydrophobicContact CG2-CD2 3.95Å; I64-Y82 HydrophobicContact CG2-CE2 3.68Å; I64-Y82 HydrophobicContact CG2-CG 4.47Å; Q78-Y82 PolarHBondContact O-N 3.39Å; I79-Y82 WeakPolarHBondContact O-CB 3.32Å; I79-Y82 PolarHBondContact O-N 3Å; I79-Y82 VanDerWaalsContact O-N 3.17Å; S80-Y82 VanDerWaalsContact C-N 3.3Å; S80-Y82 PolarHBondContact O-N 2.95Å; Y82-Y84 PolarHBondContact O-N 3.11Å; Y82-S85 PolarHBondContact O-N 2.92Å; Y82-S85 PolarHBondContact O-OG 3.26Å; Y82-V86 HydrophobicContact CD1-CG2 4.4Å; Y82-V86 HydrophobicContact CD2-CG2 4.36Å; Y82-V86 HydrophobicContact CE1-CG2 3.91Å; Y82-V86 HydrophobicContact CE2-CG2 3.88Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 3.01Å; Y82-V143 HydrophobicContact CD1-CG1 3.56Å; Y82-V143 HydrophobicContact CE1-CG1 3.48Å; Y82-V143 VanDerWaalsContact CE1-CG1 3.48Å; Y82-I146 HydrophobicContact CE1-CB 4.43Å; Y82-I146 HydrophobicContact CE1-CG2 3.87Å; Y82-F147 VanDerWaalsContact OH-CA 3.25Å; Y82-F147 WeakPolarHBondContact OH-CA 3.2Å; Y82-F147 WeakPolarHBondContact OH-CB 3.5Å
83L94.5Very high87Confident2 Ų255.8 Ų55.81%0.0128%0.279CS..Hα-helixtrans-56.9-47.5178.3-60.7-173000112.3I79 S80 S85 V86 Q87 V96 L109 I111 I146 P172I79-L83 HydrophobicContact CG2-CG 4.49Å; I79-L83 WeakPolarHBondContact O-CG 3.21Å; I79-L83 PolarHBondContact O-N 3.21Å; S80-L83 PolarHBondContact O-N 2.57Å; L83-S85 VanDerWaalsContact C-N 3.3Å; L83-S85 PolarHBondContact O-N 3.08Å; L83-V86 WeakPolarHBondContact O-CB 3.42Å; L83-V86 PolarHBondContact O-N 2.87Å; L83-Q87 PolarHBondContact O-N 2.92Å; L83-V96 HydrophobicContact CB-CG2 3.81Å; L83-V96 WeakPolarHBondContact O-CG2 3.41Å; L83-L109 HydrophobicContact CD1-CB 3.88Å; L83-L109 HydrophobicContact CD1-CD1 4.35Å; L83-I111 HydrophobicContact CD2-CB 4.29Å; L83-I111 HydrophobicContact CD2-CD1 4.32Å; L83-I111 HydrophobicContact CD2-CG2 4.15Å; L83-I146 HydrophobicContact CD2-CD1 3.58Å; L83-P172 HydrophobicContact CD1-CG 4.26Å; L83-P172 HydrophobicContact CD2-CG 4.2Å
84Y95.1Very high89.2Confident76 Ų7652.2 Ų52.230%0.29825%0.254SS..Hα-helixtrans-65.9-32.8177.4-73.2-62000112.6S80 Y82 Q87 R88 V96 L109S80-Y84 WeakPolarHBondContact O-CD2 3.49Å; S80-Y84 PolarHBondContact O-N 3.11Å; Y82-Y84 PolarHBondContact O-N 3.11Å; Y84-Q87 PolarHBondContact O-N 3.14Å; Y84-R88 WeakPolarHBondContact O-CG 3.15Å; Y84-R88 PolarHBondContact O-N 3.17Å; Y84-V96 HydrophobicContact CD1-CB 4.05Å; Y84-V96 HydrophobicContact CD1-CG1 4.22Å; Y84-V96 HydrophobicContact CD1-CG2 4.1Å; Y84-V96 HydrophobicContact CE1-CB 3.84Å; Y84-V96 HydrophobicContact CE1-CG1 3.69Å; Y84-V96 HydrophobicContact CE1-CG2 4.37Å; Y84-L109 HydrophobicContact CE2-CD1 3.88Å
85S93Very high90.7Very high22 Ų2251.4 Ų51.415%0.15425%0.246CC..Hα-helixtrans-67.7-35.9174770000112.4P62 S81 Y82 L83 R88 R89P62-S85 VanDerWaalsContact CB-OG 3.31Å; P62-S85 WeakPolarHBondContact CB-OG 3.4Å; S81-S85 WeakPolarHBondContact O-CB 3.15Å; S81-S85 PolarHBondContact O-N 3.26Å; S81-S85 PolarHBondContact O-OG 3.48Å; Y82-S85 PolarHBondContact O-N 2.92Å; Y82-S85 PolarHBondContact O-OG 3.26Å; L83-S85 VanDerWaalsContact C-N 3.3Å; L83-S85 PolarHBondContact O-N 3.08Å; S85-R88 PolarHBondContact O-N 3.47Å; S85-R89 WeakPolarHBondContact O-CB 3.23Å; S85-R89 PolarHBondContact O-N 3.47Å
86V93.1Very high92Very high0 Ų052 Ų520%025%0.249CC..Hα-helixtrans-62.7-48.4172.6171.90000110.6P62 Y82 L83 R88 R89 Y90 A94 I111 I146 V150P62-V86 HydrophobicContact CB-CG2 3.87Å; P62-V86 HydrophobicContact CG-CG2 3.98Å; Y82-V86 HydrophobicContact CD1-CG2 4.4Å; Y82-V86 HydrophobicContact CD2-CG2 4.36Å; Y82-V86 HydrophobicContact CE1-CG2 3.91Å; Y82-V86 HydrophobicContact CE2-CG2 3.88Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 3.01Å; L83-V86 WeakPolarHBondContact O-CB 3.42Å; L83-V86 PolarHBondContact O-N 2.87Å; V86-R88 PolarHBondContact O-N 3.49Å; V86-R89 PolarHBondContact O-N 2.8Å; V86-Y90 HydrophobicContact CG1-CD2 4.21Å; V86-Y90 WeakPolarHBondContact O-CD2 3.43Å; V86-Y90 PolarHBondContact O-N 3.28Å; V86-A94 HydrophobicContact CG1-CB 4Å; V86-I111 HydrophobicContact CB-CD1 4.01Å; V86-I111 HydrophobicContact CG1-CD1 3.67Å; V86-I146 HydrophobicContact CG1-CG2 4.49Å; V86-I146 HydrophobicContact CG2-CG2 4.37Å; V86-V150 HydrophobicContact CG1-CB 4.16Å; V86-V150 HydrophobicContact CG1-CG1 3.65Å; V86-V150 HydrophobicContact CG1-CG2 4.03Å; V86-V150 HydrophobicContact CG2-CG2 4.29Å
87Q95.5Very high93Very high59 Ų5953.9 Ų53.928%0.27626%0.258SS..Hα-helixtrans-56.5-47.6174.7174.1179.4-77.500111.9L83 Y84 R89 Y90 P91 V96L83-Q87 PolarHBondContact O-N 2.92Å; Y84-Q87 PolarHBondContact O-N 3.14Å; Q87-R89 VanDerWaalsContact C-N 3.28Å; Q87-R89 PolarHBondContact O-N 3.28Å; Q87-Y90 CarbonylContact O-C 3.46Å; Q87-Y90 PolarHBondContact O-N 2.87Å; Q87-P91 VanDerWaalsContact O-CA 3.3Å; Q87-P91 WeakPolarHBondContact O-CA 3.35Å; Q87-P91 VanDerWaalsContact O-N 3.17Å; Q87-V96 HydrophobicContact CB-CG2 4.18Å
88R94.9Very high93.7Very high173 Ų17353.3 Ų53.365%0.65325%0.254SS*.Hα-helixtrans-62.4-36.2179.5-74-170.9-59.7-89.72.3112.5Y84 S85 V86Y84-R88 WeakPolarHBondContact O-CG 3.15Å; Y84-R88 PolarHBondContact O-N 3.17Å; S85-R88 PolarHBondContact O-N 3.47Å; V86-R88 PolarHBondContact O-N 3.49Å
89R91.4Very high94.4Very high121 Ų12150.9 Ų50.946%0.45724%0.243SC..Hα-helixtrans-78-33.2-178-175.964.2-174.883.4-5.3113P62 S85 V86 Q87 P91P62-R89 HydrophobicContact CG-CB 3.89Å; P62-R89 HydrophobicContact CG-CG 4.29Å; S85-R89 WeakPolarHBondContact O-CB 3.23Å; S85-R89 PolarHBondContact O-N 3.47Å; V86-R89 PolarHBondContact O-N 2.8Å; Q87-R89 VanDerWaalsContact C-N 3.28Å; Q87-R89 PolarHBondContact O-N 3.28Å; R89-P91 VanDerWaalsContact C-CD 3.42Å
90Y92Very high94.8Very high34 Ų3451 Ų5113%0.13325%0.249CC..  trans-128.756.8-173.6-54.4-73.6000111.8P62 V86 Q87 D92 I93 A94 V150 F153P62-Y90 HydrophobicContact CG-CE2 4.34Å; V86-Y90 HydrophobicContact CG1-CD2 4.21Å; V86-Y90 WeakPolarHBondContact O-CD2 3.43Å; V86-Y90 PolarHBondContact O-N 3.28Å; Q87-Y90 CarbonylContact O-C 3.46Å; Q87-Y90 PolarHBondContact O-N 2.87Å; Y90-D92 PolarHBondContact O-N 3.01Å; Y90-D92 VanDerWaalsContact O-N 3.12Å; Y90-I93 PolarHBondContact O-N 3.4Å; Y90-I93 VanDerWaalsContact O-N 3.12Å; Y90-A94 PolarHBondContact O-N 3.07Å; Y90-V150 HydrophobicContact CD2-CB 3.91Å; Y90-V150 HydrophobicContact CD2-CG2 4.3Å; Y90-V150 HydrophobicContact CE2-CB 3.88Å; Y90-V150 HydrophobicContact CE2-CG2 3.94Å; Y90-V150 VanDerWaalsContact CZ-O 3.27Å; Y90-V150 PolarHBondContact OH-O 2.73Å; Y90-F153 AromaticContact CD1-CE1 3.65Å; Y90-F153 HydrophobicContact CD1-CE1 3.65Å; Y90-F153 AromaticContact CD1-CZ 3.82Å; Y90-F153 HydrophobicContact CD1-CZ 3.82Å; Y90-F153 AromaticContact CE1-CE1 3.63Å; Y90-F153 HydrophobicContact CE1-CE1 3.63Å; Y90-F153 HydrophobicContact CE1-CZ 4.03Å; Y90-F153 HydrophobicContact CG-CE1 4.4Å
91P94.3Very high95.2Very high76 Ų7655.8 Ų55.849%0.49427%0.265SS..THydrogen-bonded Turntrans-65.2-20.4-170.228.3-37000114Q87 R89 L117Q87-P91 VanDerWaalsContact O-CA 3.3Å; Q87-P91 WeakPolarHBondContact O-CA 3.35Å; Q87-P91 VanDerWaalsContact O-N 3.17Å; R89-P91 VanDerWaalsContact C-CD 3.42Å; P91-L117 WeakPolarHBondContact O-CD1 3.47Å
92D93.2Very high95.6Very high119 Ų11952.6 Ų52.664%0.63624%0.243SC*.THydrogen-bonded Turntrans-78.2-21.9179-57.4-38.8000113.3Y90 L117Y90-D92 PolarHBondContact O-N 3.01Å; Y90-D92 VanDerWaalsContact O-N 3.12Å; D92-L117 WeakPolarHBondContact O-CG 3.38Å
93I93.8Very high95.8Very high10 Ų1055.6 Ų55.65%0.05126%0.257CS..THydrogen-bonded Turntrans-126.6-11.8-173.765.6161.3000114.1Y90 I113 G114 Y115 L117 F153 I163Y90-I93 PolarHBondContact O-N 3.4Å; Y90-I93 VanDerWaalsContact O-N 3.12Å; I93-I113 CarbonylContact O-C 3.56Å; I93-I113 WeakPolarHBondContact O-CA 3.42Å; I93-G114 WeakPolarHBondContact CA-O 3.41Å; I93-G114 PolarHBondContact O-N 2.94Å; I93-Y115 HydrophobicContact CG2-CD2 4.11Å; I93-L117 WeakPolarHBondContact O-CD2 3.4Å; I93-F153 HydrophobicContact CD1-CD1 3.73Å; I93-F153 HydrophobicContact CD1-CD2 4.23Å; I93-F153 HydrophobicContact CD1-CE1 3.42Å; I93-F153 VanDerWaalsContact CD1-CE1 3.42Å; I93-F153 HydrophobicContact CD1-CE2 3.97Å; I93-F153 HydrophobicContact CD1-CG 4.13Å; I93-F153 HydrophobicContact CD1-CZ 3.56Å; I93-I163 HydrophobicContact CB-CG2 4.19Å; I93-I163 HydrophobicContact CD1-CG2 4.42Å; I93-I163 HydrophobicContact CG2-CG2 3.98Å
94A96.4Very high95.9Very high1 Ų159.7 Ų59.71%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-129.3134.2-177.400000112.4V86 Y90 I111 Q112V86-A94 HydrophobicContact CG1-CB 4Å; Y90-A94 PolarHBondContact O-N 3.07Å; A94-I111 HydrophobicContact CB-CD1 4.36Å; A94-Q112 CarbonylContact C-O 3.16Å; A94-Q112 VanDerWaalsContact CA-O 3.27Å; A94-Q112 WeakPolarHBondContact CA-O 3.29Å
95R98Very high96Very high98 Ų9861.9 Ų61.937%0.3729%0.293SS..EExtended strand (participates in β ladder)trans-142.6131174.3-175.8176.2-64.21742.3110.9Q112 L117R95-Q112 PolarHBondContact N-O 2.99Å; R95-Q112 WeakPolarHBondContact O-CB 3.28Å; R95-Q112 PolarHBondContact O-N 3.4Å; R95-L117 HydrophobicContact CB-CD1 4.24Å; R95-L117 HydrophobicContact CB-CD2 4.22Å
96V98.5Very high96.2Very high16 Ų1664.3 Ų64.310%0.09730%0.299CS..EExtended strand (participates in β ladder)trans-89.2133.2174.1179.80000109.2L83 Y84 Q87 L109 I111L83-V96 HydrophobicContact CB-CG2 3.81Å; L83-V96 WeakPolarHBondContact O-CG2 3.41Å; Y84-V96 HydrophobicContact CD1-CB 4.05Å; Y84-V96 HydrophobicContact CD1-CG1 4.22Å; Y84-V96 HydrophobicContact CD1-CG2 4.1Å; Y84-V96 HydrophobicContact CE1-CB 3.84Å; Y84-V96 HydrophobicContact CE1-CG1 3.69Å; Y84-V96 HydrophobicContact CE1-CG2 4.37Å; Q87-V96 HydrophobicContact CB-CG2 4.18Å; V96-L109 HydrophobicContact CG1-CB 4.27Å; V96-L109 HydrophobicContact CG1-CD1 4.31Å; V96-L109 HydrophobicContact CG1-CD2 4.1Å; V96-L109 HydrophobicContact CG1-CG 4.47Å; V96-I111 HydrophobicContact CG2-CD1 4.33Å; V96-I111 HydrophobicContact CG2-CG1 4.19Å
97H98.5Very high96.4Very high50 Ų5066.4 Ų66.423%0.23131%0.312CS..EExtended strand (participates in β ladder)trans-116.5139.9174.7-58.8-85.2000109.1I99 L109 T110 Q112 F254H97-I99 HydrophobicContact CB-CG2 4.33Å; H97-L109 WeakPolarHBondContact O-CA 3.31Å; H97-T110 PolarHBondContact N-O 2.8Å; H97-T110 PolarHBondContact O-N 3.06Å; H97-Q112 WeakPolarHBondContact NE2-CB 3.29Å; H97-Q112 PolarHBondContact NE2-OE1 3.14Å; H97-F254 HydrophobicContact CB-CE2 4.46Å
98I98.6Very high96.6Very high77 Ų7763.6 Ų63.640%0.39530%0.299SS..EExtended strand (participates in β ladder)trans-88.7116.4162.8-57.5175.3000105.9G100 Y101 P107 L109I98-G100 WeakPolarHBondContact CG2-O 3.47Å; I98-Y101 HydrophobicContact CG2-CD2 4.43Å; I98-Y101 HydrophobicContact CG2-CE1 4.43Å; I98-Y101 HydrophobicContact CG2-CE2 3.84Å; I98-P107 HydrophobicContact CD1-CB 4.35Å; I98-P107 HydrophobicContact CG1-CB 4.33Å; I98-P107 HydrophobicContact CG2-CB 4.01Å; I98-L109 HydrophobicContact CB-CD2 4.44Å; I98-L109 HydrophobicContact CG1-CD2 3.65Å
99I98.7Very high96.7Very high25 Ų2555.9 Ų55.913%0.12827%0.271CS..EExtended strand (participates in β ladder)trans-96-11.4-177.964.5161000112.9H97 I108 T110 W126 A250 I251 F254H97-I99 HydrophobicContact CB-CG2 4.33Å; I99-I108 HydrophobicContact CD1-CG2 3.84Å; I99-I108 HydrophobicContact CG1-CB 3.96Å; I99-I108 HydrophobicContact CG1-CG2 3.73Å; I99-I108 WeakPolarHBondContact CG1-O 3.44Å; I99-I108 PolarHBondContact N-O 2.89Å; I99-T110 WeakPolarHBondContact CD1-OG1 3.33Å; I99-T110 VanDerWaalsContact CG2-OG1 3.27Å; I99-T110 WeakPolarHBondContact CG2-OG1 3.31Å; I99-W126 HydrophobicContact CD1-CH2 3.95Å; I99-A250 HydrophobicContact CD1-CB 4.14Å; I99-A250 HydrophobicContact CG1-CB 4.09Å; I99-A250 WeakPolarHBondContact O-CB 3.41Å; I99-I251 HydrophobicContact CD1-CG1 4.49Å; I99-F254 HydrophobicContact CB-CB 4.3Å; I99-F254 HydrophobicContact CB-CD2 4.07Å; I99-F254 HydrophobicContact CB-CG 4.44Å; I99-F254 HydrophobicContact CG2-CB 4.24Å; I99-F254 HydrophobicContact CG2-CD2 3.26Å; I99-F254 HydrophobicContact CG2-CE2 3.67Å; I99-F254 HydrophobicContact CG2-CG 3.84Å
100G98.6Very high97.1Very high18 Ų1850.1 Ų50.119%0.18625%0.249CC..EExtended strand (participates in β ladder)trans170.6-174.1179.200000110.8I98 I108I98-G100 WeakPolarHBondContact CG2-O 3.47Å; G100-I108 PolarHBondContact O-N 3.25Å
101Y98.6Very high97.4Very high114 Ų11448.5 Ų48.545%0.44724%0.243SC..EExtended strand (participates in β ladder)trans-130.6145.7176.9-66.7-95.6000109.3I98 R106 P107 P246I98-Y101 HydrophobicContact CG2-CD2 4.43Å; I98-Y101 HydrophobicContact CG2-CE1 4.43Å; I98-Y101 HydrophobicContact CG2-CE2 3.84Å; Y101-R106 CarbonylContact C-O 3.59Å; Y101-R106 VanDerWaalsContact CA-O 3.29Å; Y101-R106 WeakPolarHBondContact CA-O 3.05Å; Y101-P107 HydrophobicContact CD1-CB 4.23Å; Y101-P107 HydrophobicContact CE1-CB 3.96Å; Y101-P246 VanDerWaalsContact O-CB 3.31Å; Y101-P246 WeakPolarHBondContact O-CB 3.39Å
102S98.3Very high97.6Very high8 Ų845.3 Ų45.36%0.05622%0.221CC..  trans-76177.6175.364.10000112.9E104 N105 R106 D177 E247S102-E104 VanDerWaalsContact C-N 3.31Å; S102-E104 PolarHBondContact O-N 3.11Å; S102-N105 WeakPolarHBondContact O-CA 3.48Å; S102-N105 PolarHBondContact O-N 2.8Å; S102-R106 PolarHBondContact N-O 3.23Å; S102-R106 WeakPolarHBondContact OG-CB 3.42Å; S102-R106 PolarHBondContact OG-N 3.12Å; S102-R106 PolarHBondContact OG-O 3.38Å; S102-D177 VanDerWaalsContact CB-OD1 3.26Å; S102-D177 WeakPolarHBondContact CB-OD1 3.36Å; S102-D177 WeakPolarHBondContact CB-OD2 3.35Å; S102-D177 PolarHBondContact OG-OD1 3.15Å; S102-D177 PolarHBondContact OG-OD2 3.05Å; S102-D177 VanDerWaalsContact OG-OD2 3.08Å; S102-E247 WeakPolarHBondContact CA-OE1 3.46Å; S102-E247 VanDerWaalsContact CB-OE1 3.27Å; S102-E247 WeakPolarHBondContact CB-OE1 3.42Å
103H97.5Very high97.8Very high69 Ų6939.7 Ų39.732%0.31919%0.191SC..THydrogen-bonded Turntrans-60.6-36.5176.5-80.4-79000113.6N105 D177 S198 P199 E245 P246 E247H103-N105 PolarHBondContact O-N 2.84Å; H103-D177 PolarHBondContact N-OD2 2.81Å; H103-S198 PolarHBondContact CE1-OG 2.87Å; H103-S198 WeakPolarHBondContact NE2-CB 3.08Å; H103-S198 PolarHBondContact NE2-OG 3.45Å; H103-S198 VanDerWaalsContact NE2-OG 3.09Å; H103-P199 WeakPolarHBondContact ND1-CD 3.5Å; H103-E245 IonicContact CD2-OE2 3.97Å; H103-E245 IonicContact CE1-OE2 3.18Å; H103-E245 IonicContact NE2-OE2 3.82Å; H103-E245 PolarHBondContact NE2-OE2 3.09Å; H103-P246 VanDerWaalsContact CD2-CD 3.43Å; H103-P246 WeakPolarHBondContact CD2-CD 3.47Å; H103-P246 WeakPolarHBondContact NE2-CD 3.28Å; H103-E247 IonicContact CD2-OE1 2.97Å; H103-E247 IonicContact CD2-OE2 3.5Å
104E96.6Very high97.9Very high87 Ų8739.2 Ų39.241%0.40719%0.189SC..THydrogen-bonded Turntrans-89.421.1174.7-57.2-178.5172.300112S102 R106 D177 R197S102-E104 VanDerWaalsContact C-N 3.31Å; S102-E104 PolarHBondContact O-N 3.11Å; E104-R106 VanDerWaalsContact C-N 3.35Å; E104-R106 VanDerWaalsContact CB-NH1 3.32Å; E104-R106 PolarHBondContact O-N 2.92Å; E104-R106 IonicContact OE2-CZ 2.66Å; E104-R106 IonicContact OE2-NH1 2.89Å; E104-R106 PolarHBondContact OE2-NH1 2.99Å; E104-R106 IonicContact OE2-NH2 2.8Å; E104-R106 PolarHBondContact OE2-NH2 3.4Å; E104-R106 VanDerWaalsContact OE2-NH2 3.16Å; E104-D177 WeakPolarHBondContact CB-OD2 3.46Å; E104-D177 HydrophobicContact CG-CB 4.37Å; E104-D177 PolarHBondContact N-OD2 2.63Å; E104-R197 HydrophobicContact CG-CB 4.48Å
105N97Very high97.8Very high123 Ų12344.1 Ų44.166%0.65821%0.208SC*.  trans61.232.5173-163.343.7000115S102 H103S102-N105 WeakPolarHBondContact O-CA 3.48Å; S102-N105 PolarHBondContact O-N 2.8Å; H103-N105 PolarHBondContact O-N 2.84Å
106R96.6Very high97.6Very high72 Ų7242 Ų4227%0.27221%0.207SC..  trans-88.1136.6171.4-60.9-171.4-177.981.6-0.5110.1Y101 S102 E104 I108 P176 D177Y101-R106 CarbonylContact C-O 3.59Å; Y101-R106 VanDerWaalsContact CA-O 3.29Å; Y101-R106 WeakPolarHBondContact CA-O 3.05Å; S102-R106 PolarHBondContact N-O 3.23Å; S102-R106 WeakPolarHBondContact OG-CB 3.42Å; S102-R106 PolarHBondContact OG-N 3.12Å; S102-R106 PolarHBondContact OG-O 3.38Å; E104-R106 VanDerWaalsContact C-N 3.35Å; E104-R106 VanDerWaalsContact CB-NH1 3.32Å; E104-R106 PolarHBondContact O-N 2.92Å; E104-R106 IonicContact OE2-CZ 2.66Å; E104-R106 IonicContact OE2-NH1 2.89Å; E104-R106 PolarHBondContact OE2-NH1 2.99Å; E104-R106 IonicContact OE2-NH2 2.8Å; E104-R106 PolarHBondContact OE2-NH2 3.4Å; E104-R106 VanDerWaalsContact OE2-NH2 3.16Å; R106-I108 PolarHBondContact O-N 3.14Å; R106-P176 HydrophobicContact CB-CB 4.05Å; R106-P176 HydrophobicContact CB-CG 4.12Å; R106-D177 IonicContact CZ-OD1 2.73Å; R106-D177 IonicContact NH1-OD1 2.69Å; R106-D177 PolarHBondContact NH1-OD1 2.99Å
107P97.6Very high97.4Very high44 Ų4442 Ų4229%0.28621%0.206SC..EExtended strand (participates in β ladder)trans-68.3135.5178.929.3-34.7000110.6I98 Y101 L109I98-P107 HydrophobicContact CD1-CB 4.35Å; I98-P107 HydrophobicContact CG1-CB 4.33Å; I98-P107 HydrophobicContact CG2-CB 4.01Å; Y101-P107 HydrophobicContact CD1-CB 4.23Å; Y101-P107 HydrophobicContact CE1-CB 3.96Å; P107-L109 HydrophobicContact CB-CD2 3.92Å; P107-L109 HydrophobicContact CB-CG 4.49Å; P107-L109 HydrophobicContact CG-CD2 4.36Å
108I98.5Very high97Very high1 Ų143.2 Ų43.21%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-91.6112.5170.9-53.6169.2000106.8I99 G100 R106 T171 P176 E247 A250I99-I108 HydrophobicContact CD1-CG2 3.84Å; I99-I108 HydrophobicContact CG1-CB 3.96Å; I99-I108 HydrophobicContact CG1-CG2 3.73Å; I99-I108 WeakPolarHBondContact CG1-O 3.44Å; I99-I108 PolarHBondContact N-O 2.89Å; G100-I108 PolarHBondContact O-N 3.25Å; R106-I108 PolarHBondContact O-N 3.14Å; I108-T171 HydrophobicContact CG2-CG2 3.99Å; I108-P176 HydrophobicContact CG1-CG 4.11Å; I108-E247 HydrophobicContact CD1-CB 4Å; I108-E247 HydrophobicContact CD1-CG 3.89Å; I108-A250 HydrophobicContact CD1-CB 3.8Å
109L98.6Very high96.4Very high10 Ų1047.2 Ų47.25%0.05224%0.239CC..EExtended strand (participates in β ladder)trans-101.5131.2-171.9-58.9-174.9000111.9S80 L83 Y84 V96 H97 I98 P107S80-L109 VanDerWaalsContact OG-CD1 3.32Å; S80-L109 WeakPolarHBondContact OG-CD1 3.41Å; L83-L109 HydrophobicContact CD1-CB 3.88Å; L83-L109 HydrophobicContact CD1-CD1 4.35Å; Y84-L109 HydrophobicContact CE2-CD1 3.88Å; V96-L109 HydrophobicContact CG1-CB 4.27Å; V96-L109 HydrophobicContact CG1-CD1 4.31Å; V96-L109 HydrophobicContact CG1-CD2 4.1Å; V96-L109 HydrophobicContact CG1-CG 4.47Å; H97-L109 WeakPolarHBondContact O-CA 3.31Å; I98-L109 HydrophobicContact CB-CD2 4.44Å; I98-L109 HydrophobicContact CG1-CD2 3.65Å; P107-L109 HydrophobicContact CB-CD2 3.92Å; P107-L109 HydrophobicContact CB-CG 4.49Å; P107-L109 HydrophobicContact CG-CD2 4.36Å
110T98.8Very high95.6Very high0 Ų047.5 Ų47.50%024%0.241CC..EExtended strand (participates in β ladder)trans-118.5126.3169.4-56.30000109H97 I99 W126 Y169 I170 T171 F254H97-T110 PolarHBondContact N-O 2.8Å; H97-T110 PolarHBondContact O-N 3.06Å; I99-T110 WeakPolarHBondContact CD1-OG1 3.33Å; I99-T110 VanDerWaalsContact CG2-OG1 3.27Å; I99-T110 WeakPolarHBondContact CG2-OG1 3.31Å; T110-W126 HydrophobicContact CG2-CH2 4.49Å; T110-W126 HydrophobicContact CG2-CZ3 3.93Å; T110-Y169 HydrophobicContact CG2-CD1 4.38Å; T110-I170 CarbonylContact C-O 3.59Å; T110-I170 WeakPolarHBondContact CA-O 3.07Å; T110-T171 PolarHBondContact OG1-OG1 2.96Å; T110-F254 HydrophobicContact CG2-CE1 4.5Å; T110-F254 HydrophobicContact CG2-CZ 4.47Å
111I98.5Very high95.1Very high0 Ų054.8 Ų54.80%027%0.27CS..EExtended strand (participates in β ladder)trans-90.6124.1169.9-164.9169000109.9L83 V86 A94 V96 I113 I146 Y169 I170L83-I111 HydrophobicContact CD2-CB 4.29Å; L83-I111 HydrophobicContact CD2-CD1 4.32Å; L83-I111 HydrophobicContact CD2-CG2 4.15Å; V86-I111 HydrophobicContact CB-CD1 4.01Å; V86-I111 HydrophobicContact CG1-CD1 3.67Å; A94-I111 HydrophobicContact CB-CD1 4.36Å; V96-I111 HydrophobicContact CG2-CD1 4.33Å; V96-I111 HydrophobicContact CG2-CG1 4.19Å; I111-I113 HydrophobicContact CD1-CD1 4.48Å; I111-I113 HydrophobicContact CD1-CG1 4.34Å; I111-I113 HydrophobicContact CG1-CG1 4.07Å; I111-I113 HydrophobicContact CG2-CD1 4.17Å; I111-I113 HydrophobicContact CG2-CG1 4.34Å; I111-I146 HydrophobicContact CD1-CG2 4.3Å; I111-I146 HydrophobicContact CG2-CD1 3.49Å; I111-I146 VanDerWaalsContact CG2-CD1 3.49Å; I111-I146 HydrophobicContact CG2-CG1 3.69Å; I111-I146 HydrophobicContact CG2-CG2 4.42Å; I111-Y169 WeakPolarHBondContact O-CA 3.45Å; I111-I170 HydrophobicContact CG2-CB 4.02Å; I111-I170 PolarHBondContact N-O 3.42Å; I111-I170 PolarHBondContact O-N 3.26Å
112Q98.4Very high94.9Very high10 Ų1049.9 Ų49.95%0.04725%0.252CS..EExtended strand (participates in β ladder)trans-83.5127.7165.1179.8-176.7-4.900108.8A94 R95 H97 L117 T167 W168 Y169A94-Q112 CarbonylContact C-O 3.16Å; A94-Q112 VanDerWaalsContact CA-O 3.27Å; A94-Q112 WeakPolarHBondContact CA-O 3.29Å; R95-Q112 PolarHBondContact N-O 2.99Å; R95-Q112 WeakPolarHBondContact O-CB 3.28Å; R95-Q112 PolarHBondContact O-N 3.4Å; H97-Q112 WeakPolarHBondContact NE2-CB 3.29Å; H97-Q112 PolarHBondContact NE2-OE1 3.14Å; Q112-L117 HydrophobicContact CG-CD2 3.98Å; Q112-L117 PolarHBondContact NE2-O 3.15Å; Q112-T167 HydrophobicContact CG-CG2 3.8Å; Q112-W168 CarbonylContact C-O 3.59Å; Q112-W168 WeakPolarHBondContact CA-O 3.36Å; Q112-Y169 HydrophobicContact CB-CD1 3.92Å; Q112-Y169 HydrophobicContact CB-CE1 3.76Å; Q112-Y169 HydrophobicContact CG-CD1 4.1Å; Q112-Y169 HydrophobicContact CG-CE1 3.57Å
113I97.2Very high94.8Very high0 Ų050.7 Ų50.70%026%0.255CS..EExtended strand (participates in β ladder)trans-128.3126.3173.3-55.4169.2000109.3I93 I111 I146 L149 V150 I163 T167 W168 I170I93-I113 CarbonylContact O-C 3.56Å; I93-I113 WeakPolarHBondContact O-CA 3.42Å; I111-I113 HydrophobicContact CD1-CD1 4.48Å; I111-I113 HydrophobicContact CD1-CG1 4.34Å; I111-I113 HydrophobicContact CG1-CG1 4.07Å; I111-I113 HydrophobicContact CG2-CD1 4.17Å; I111-I113 HydrophobicContact CG2-CG1 4.34Å; I113-I146 HydrophobicContact CD1-CB 4.38Å; I113-I146 HydrophobicContact CD1-CG1 4.25Å; I113-I146 HydrophobicContact CD1-CG2 4.04Å; I113-L149 HydrophobicContact CD1-CB 4.23Å; I113-L149 HydrophobicContact CD1-CD1 4.05Å; I113-L149 HydrophobicContact CG2-CB 4.36Å; I113-V150 HydrophobicContact CD1-CG1 3.92Å; I113-V150 HydrophobicContact CG1-CG1 4.45Å; I113-V150 HydrophobicContact CG2-CG1 4.35Å; I113-I163 HydrophobicContact CG2-CD1 3.6Å; I113-T167 CarbonylContact O-C 3.51Å; I113-W168 HydrophobicContact CB-CB 4.21Å; I113-W168 PolarHBondContact N-O 2.86Å; I113-W168 PolarHBondContact O-N 3Å; I113-I170 HydrophobicContact CD1-CD1 4.47Å
114G96Very high94.8Very high0 Ų047.4 Ų47.40%024%0.241CC..  trans160.8168.3179.700000112.1I93 I163I93-G114 WeakPolarHBondContact CA-O 3.41Å; I93-G114 PolarHBondContact O-N 2.94Å; G114-I163 CarbonylContact C-O 3.36Å; G114-I163 WeakPolarHBondContact CA-O 3.43Å
115Y94Very high94.9Very high105 Ų10543.3 Ų43.341%0.41222%0.221SC..SBendtrans-133134.7178.7-172.4-93.2000111.7I93 N120 N122 I163 Y164I93-Y115 HydrophobicContact CG2-CD2 4.11Å; Y115-N120 PolarHBondContact O-ND2 2.87Å; Y115-N122 PolarHBondContact O-ND2 3.45Å; Y115-I163 PolarHBondContact N-O 3.39Å; Y115-Y164 AromaticContact CD1-CD1 3.64Å; Y115-Y164 HydrophobicContact CD1-CD1 3.64Å; Y115-Y164 AromaticContact CD1-CE1 3.41Å; Y115-Y164 HydrophobicContact CD1-CE1 3.41Å; Y115-Y164 VanDerWaalsContact CD1-CE1 3.41Å; Y115-Y164 HydrophobicContact CE1-CD1 4.42Å; Y115-Y164 AromaticContact CE1-CE1 3.92Å; Y115-Y164 HydrophobicContact CE1-CE1 3.92Å; Y115-Y164 HydrophobicContact CG-CD1 4.25Å; Y115-Y164 AromaticContact CG-CE1 3.95Å; Y115-Y164 HydrophobicContact CG-CE1 3.95Å
116P94.8Very high95Very high53 Ų5337.4 Ų37.434%0.34419%0.19SC..SBendcis-66164.1-1229.9-35.2000111.8N120P116-N120 HydrophobicContact CG-CB 4.24Å; P116-N120 VanDerWaalsContact O-CB 3.23Å; P116-N120 WeakPolarHBondContact O-CB 3.45Å; P116-N120 VanDerWaalsContact O-CG 3.32Å; P116-N120 PolarHBondContact O-ND2 3.35Å
117L93.5Very high95.1Very high16 Ų1634 Ų348%0.08418%0.177CC..SBendtrans-77-30.2176.2-83174.5000113.5P91 D92 I93 R95 Q112P91-L117 WeakPolarHBondContact O-CD1 3.47Å; D92-L117 WeakPolarHBondContact O-CG 3.38Å; I93-L117 WeakPolarHBondContact O-CD2 3.4Å; R95-L117 HydrophobicContact CB-CD1 4.24Å; R95-L117 HydrophobicContact CB-CD2 4.22Å; Q112-L117 HydrophobicContact CG-CD2 3.98Å; Q112-L117 PolarHBondContact NE2-O 3.15Å
118T90Very high95.2Very high76 Ų7631.9 Ų31.947%0.46616%0.163SC..SBendtrans-116.2150.8-179.351.80000110.1N120T118-N120 PolarHBondContact O-N 2.71Å
119N86.2Confident95.2Very high161 Ų16131.9 Ų31.986%0.86116%0.163SC*.SBendtrans51.637.7-176.3-55.8-22.5000112.5
120N82.4Confident95.2Very high31 Ų3131.4 Ų31.417%0.16616%0.161CC..  trans-89.9119.5-179.9-164.3-16.7000110.4Y115 P116 T118 N122 T167Y115-N120 PolarHBondContact O-ND2 2.87Å; P116-N120 HydrophobicContact CG-CB 4.24Å; P116-N120 VanDerWaalsContact O-CB 3.23Å; P116-N120 WeakPolarHBondContact O-CB 3.45Å; P116-N120 VanDerWaalsContact O-CG 3.32Å; P116-N120 PolarHBondContact O-ND2 3.35Å; T118-N120 PolarHBondContact O-N 2.71Å; N120-N122 PolarHBondContact ND2-ND2 2.89Å; N120-N122 WeakPolarHBondContact OD1-CB 3.44Å; N120-N122 PolarHBondContact OD1-N 2.82Å; N120-N122 PolarHBondContact OD1-ND2 2.9Å; N120-T167 PolarHBondContact ND2-OG1 3.12Å
121E87.4Confident95.1Very high170 Ų17031.5 Ų31.579%0.79416%0.161SC*.  trans-92.33.6176.6-60.5-174.916700113
122N94.2Very high95.1Very high11 Ų1131.7 Ų31.76%0.05916%0.162CC..SBendtrans-60.9143.3175.7-70.8-15.7000110.9Y115 N120 Y164 N165 R387Y115-N122 PolarHBondContact O-ND2 3.45Å; N120-N122 PolarHBondContact ND2-ND2 2.89Å; N120-N122 WeakPolarHBondContact OD1-CB 3.44Å; N120-N122 PolarHBondContact OD1-N 2.82Å; N120-N122 PolarHBondContact OD1-ND2 2.9Å; N122-Y164 PolarHBondContact ND2-O 2.86Å; N122-N165 WeakPolarHBondContact CB-O 3.46Å; N122-R387 PolarHBondContact OD1-NH1 2.84Å
123N96.9Very high95.1Very high25 Ų2531.2 Ų31.213%0.13416%0.16CC..EExtended strand (participates in β ladder)trans-57.4142.4167-75.9-12.9000109.2L166 T167 T261 K263 V381 Q385N123-L166 HydrophobicContact CB-CD2 4.32Å; N123-L166 VanDerWaalsContact O-CA 3.31Å; N123-L166 WeakPolarHBondContact O-CA 3.24Å; N123-T167 PolarHBondContact O-N 2.86Å; N123-T261 WeakPolarHBondContact CA-O 2.94Å; N123-K263 HydrophobicContact CB-CB 4.42Å; N123-K263 HydrophobicContact CB-CG 3.69Å; N123-K263 WeakPolarHBondContact ND2-CG 3.06Å; N123-K263 VanDerWaalsContact OD1-CE 3.23Å; N123-K263 WeakPolarHBondContact OD1-CE 3.44Å; N123-V381 HydrophobicContact CB-CG1 3.67Å; N123-Q385 HydrophobicContact CB-CG 4.36Å; N123-Q385 WeakPolarHBondContact ND2-CG 3.18Å; N123-Q385 PolarHBondContact ND2-NE2 2.83Å
124A97.9Very high95.1Very high1 Ų132.9 Ų32.91%0.00817%0.166CC..EExtended strand (participates in β ladder)trans-107.2152.4-17900000112.3T167 Y169 T261 I262 K263 A264A124-T167 CarbonylContact C-O 3.28Å; A124-T167 WeakPolarHBondContact CA-O 3.35Å; A124-T167 WeakPolarHBondContact CB-O 3.3Å; A124-Y169 HydrophobicContact CB-CD2 3.93Å; A124-Y169 HydrophobicContact CB-CE2 3.74Å; A124-T261 PolarHBondContact N-O 2.99Å; A124-I262 HydrophobicContact CB-CB 4.46Å; A124-I262 HydrophobicContact CB-CG1 3.85Å; A124-I262 CarbonylContact O-C 3.44Å; A124-I262 WeakPolarHBondContact O-CA 3.34Å; A124-K263 PolarHBondContact O-N 3.42Å; A124-A264 PolarHBondContact O-N 3.17Å
125I98.8Very high95.1Very high0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-119.8121.7170-58.5-174.6000107I127 L166 T167 W168 Y169 A264 A378 V381I125-I127 HydrophobicContact CG2-CD1 4.33Å; I125-I127 HydrophobicContact CG2-CG1 3.96Å; I125-L166 HydrophobicContact CD1-CD1 3.76Å; I125-L166 HydrophobicContact CD1-CD2 4.47Å; I125-L166 HydrophobicContact CG1-CD1 4.5Å; I125-T167 PolarHBondContact N-O 2.76Å; I125-W168 HydrophobicContact CB-CE3 4.07Å; I125-W168 HydrophobicContact CB-CZ3 4.35Å; I125-W168 HydrophobicContact CD1-CE3 4.4Å; I125-W168 HydrophobicContact CD1-CH2 3.98Å; I125-W168 HydrophobicContact CD1-CZ2 4.35Å; I125-W168 HydrophobicContact CD1-CZ3 3.98Å; I125-W168 HydrophobicContact CG2-CE3 4.14Å; I125-W168 HydrophobicContact CG2-CZ3 4.14Å; I125-W168 WeakPolarHBondContact O-CA 3.16Å; I125-Y169 PolarHBondContact O-N 2.65Å; I125-A264 WeakPolarHBondContact CA-O 3.13Å; I125-A264 HydrophobicContact CB-CB 4.48Å; I125-A264 HydrophobicContact CG1-CB 4.14Å; I125-A264 HydrophobicContact CG2-CB 4.09Å; I125-A378 HydrophobicContact CD1-CB 3.59Å; I125-V381 HydrophobicContact CD1-CB 4.47Å; I125-V381 HydrophobicContact CD1-CG2 4.31Å; I125-V381 HydrophobicContact CG1-CG2 4.43Å
126W98.9Very high95.1Very high0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans-90.4133.7169.1173.2-86.8000109.8I99 T110 D128 Y169 T171 I251 F254 V255 I262 A264 F265 I266I99-W126 HydrophobicContact CD1-CH2 3.95Å; T110-W126 HydrophobicContact CG2-CH2 4.49Å; T110-W126 HydrophobicContact CG2-CZ3 3.93Å; W126-D128 HydrophobicContact CZ2-CB 4Å; W126-D128 PolarHBondContact NE1-OD2 2.87Å; W126-Y169 CarbonylContact C-O 3.53Å; W126-Y169 WeakPolarHBondContact CA-O 3.41Å; W126-T171 WeakPolarHBondContact CH2-OG1 3.42Å; W126-T171 WeakPolarHBondContact CZ2-OG1 3.47Å; W126-I251 HydrophobicContact CZ2-CB 4.4Å; W126-I251 HydrophobicContact CZ2-CG1 4.15Å; W126-I251 HydrophobicContact CZ2-CG2 3.79Å; W126-F254 AromaticContact CE3-CD1 3.9Å; W126-F254 HydrophobicContact CE3-CD1 3.9Å; W126-F254 HydrophobicContact CE3-CE1 4.16Å; W126-F254 HydrophobicContact CH2-CD1 4.33Å; W126-F254 AromaticContact CZ3-CD1 3.37Å; W126-F254 HydrophobicContact CZ3-CD1 3.37Å; W126-F254 AromaticContact CZ3-CE1 3.8Å; W126-F254 HydrophobicContact CZ3-CE1 3.8Å; W126-F254 HydrophobicContact CZ3-CG 4.14Å; W126-V255 HydrophobicContact CD2-CG2 3.7Å; W126-V255 HydrophobicContact CE3-CG2 3.91Å; W126-V255 HydrophobicContact CG-CG2 4.1Å; W126-V255 HydrophobicContact CH2-CG2 4.45Å; W126-V255 HydrophobicContact CZ2-CG2 4.29Å; W126-V255 HydrophobicContact CZ3-CG2 4.29Å; W126-I262 HydrophobicContact CB-CD1 4.3Å; W126-I262 HydrophobicContact CB-CG2 4.01Å; W126-A264 PolarHBondContact N-O 3.41Å; W126-F265 HydrophobicContact CB-CD2 4.15Å; W126-F265 AromaticContact CD1-CD2 3.16Å; W126-F265 AromaticContact CD1-CE2 3.15Å; W126-F265 AromaticContact CD1-CG 3.84Å; W126-F265 AromaticContact CD1-CZ 3.83Å; W126-F265 AromaticContact CG-CD2 3.77Å; W126-F265 HydrophobicContact CG-CD2 3.77Å; W126-F265 AromaticContact CG-CE2 3.99Å; W126-F265 HydrophobicContact CG-CE2 3.99Å; W126-F265 AromaticContact NE1-CD2 3.81Å; W126-F265 AromaticContact NE1-CE2 3.26Å; W126-F265 VanDerWaalsContact NE1-CE2 3.26Å; W126-F265 AromaticContact NE1-CZ 3.73Å; W126-I266 PolarHBondContact O-N 3.07Å
127I98.9Very high95Very high0 Ų025.6 Ų25.60%013%0.131CC..EExtended strand (participates in β ladder)trans-132.3124.6171.4-53.6-179.6000108.6I125 I145 W168 Y169 I170 T171 I266 I268 I374I125-I127 HydrophobicContact CG2-CD1 4.33Å; I125-I127 HydrophobicContact CG2-CG1 3.96Å; I127-I145 HydrophobicContact CD1-CD1 4.29Å; I127-I145 HydrophobicContact CD1-CG2 4.25Å; I127-W168 HydrophobicContact CD1-CE3 4Å; I127-W168 HydrophobicContact CD1-CZ3 3.99Å; I127-Y169 PolarHBondContact N-O 2.86Å; I127-I170 HydrophobicContact CB-CG1 4.24Å; I127-I170 HydrophobicContact CB-CG2 4.28Å; I127-I170 HydrophobicContact CD1-CD1 4.5Å; I127-I170 HydrophobicContact CD1-CG1 4.43Å; I127-I170 HydrophobicContact CG2-CG2 4.46Å; I127-I170 CarbonylContact O-C 3.43Å; I127-I170 VanDerWaalsContact O-CA 3.26Å; I127-I170 WeakPolarHBondContact O-CA 3.05Å; I127-T171 PolarHBondContact O-N 3.15Å; I127-I266 VanDerWaalsContact CA-O 3.24Å; I127-I266 WeakPolarHBondContact CA-O 3.31Å; I127-I266 HydrophobicContact CG1-CB 4.39Å; I127-I268 HydrophobicContact CG2-CD1 3.62Å; I127-I268 HydrophobicContact CG2-CG1 4.08Å; I127-I374 HydrophobicContact CD1-CD1 4.48Å; I127-I374 HydrophobicContact CD1-CG2 3.99Å
128D98.9Very high95.2Very high0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-121155.9166.865.581.6000111.4W126 T171 F265 I266 T267 I268W126-D128 HydrophobicContact CZ2-CB 4Å; W126-D128 PolarHBondContact NE1-OD2 2.87Å; D128-T171 WeakPolarHBondContact CA-O 3.29Å; D128-F265 VanDerWaalsContact OD2-CZ 3.27Å; D128-F265 WeakPolarHBondContact OD2-CZ 3.43Å; D128-I266 PolarHBondContact N-O 3.2Å; D128-T267 VanDerWaalsContact OD1-CB 3.31Å; D128-T267 WeakPolarHBondContact OD1-CB 3.5Å; D128-T267 PolarHBondContact OD1-OG1 2.81Å; D128-I268 PolarHBondContact O-N 2.96Å
129A98.7Very high95.4Very high0 Ų021.2 Ų21.20%011%0.105CC..EExtended strand (participates in β ladder)trans-146.7162.917600000110.8M131 S138 A142 T171 P172 A174 I268A129-M131 VanDerWaalsContact C-N 3.3Å; A129-M131 PolarHBondContact O-N 3.25Å; A129-S138 WeakPolarHBondContact CB-O 3.19Å; A129-A142 HydrophobicContact CB-CB 3.59Å; A129-T171 PolarHBondContact N-O 3.27Å; A129-P172 CarbonylContact O-C 3.56Å; A129-A174 WeakPolarHBondContact O-CB 3.44Å; A129-A174 PolarHBondContact O-N 2.93Å; A129-I268 HydrophobicContact CB-CB 4.09Å
130G97.8Very high95.7Very high0 Ų014.4 Ų14.40%07%0.07CC..  trans6632.3176.600000113.4H132 S138 Q139 N175G130-H132 VanDerWaalsContact C-N 3.3Å; G130-S138 PolarHBondContact N-OG 3.43Å; G130-S138 VanDerWaalsContact N-OG 3.11Å; G130-Q139 VanDerWaalsContact CA-CD 3.44Å; G130-N175 WeakPolarHBondContact O-CB 3.43Å; G130-N175 PolarHBondContact O-N 3.44Å; G130-N175 VanDerWaalsContact O-N 3.12Å
131M98.4Very high96.4Very high2 Ų213 Ų131%0.016%0.062CC..SBendtrans-67.7-35.9170.5-176.5161.750.600110.6A129 A174 N175 L215 N216 F219 H269A129-M131 VanDerWaalsContact C-N 3.3Å; A129-M131 PolarHBondContact O-N 3.25Å; M131-A174 HydrophobicContact CB-CB 4.16Å; M131-N175 WeakPolarHBondContact O-CB 3.08Å; M131-N175 PolarHBondContact O-ND2 3.25Å; M131-L215 HydrophobicContact CG-CB 3.44Å; M131-L215 VanDerWaalsContact CG-CB 3.44Å; M131-L215 HydrophobicContact CG-CD1 4.09Å; M131-L215 HydrophobicContact CG-CG 4.42Å; M131-L215 HydrophobicContact SD-CB 3.92Å; M131-N216 HydrophobicContact CE-CB 3.57Å; M131-N216 VanDerWaalsContact CE-OD1 3.32Å; M131-N216 WeakPolarHBondContact CE-OD1 3.31Å; M131-N216 HydrophobicContact SD-CB 4.19Å; M131-F219 HydrophobicContact SD-CE2 3.96Å; M131-F219 HydrophobicContact SD-CZ 4.5Å; M131-H269 VanDerWaalsContact CE-NE2 3.31Å; M131-H269 WeakPolarHBondContact CE-NE2 3.32Å
132H98.7Very high96.8Very high4 Ų44.9 Ų4.92%0.0192%0.024CC..SBendtrans-94.9129.7160.3-52.6135.3000110.3G130 R134 E135 R194 D214 N216 H269G130-H132 VanDerWaalsContact C-N 3.3Å; H132-R134 PolarHBondContact O-N 3.27Å; H132-E135 VanDerWaalsContact CB-CD 3.49Å; H132-E135 HydrophobicContact CB-CG 4.01Å; H132-E135 VanDerWaalsContact CB-OE1 3.25Å; H132-E135 WeakPolarHBondContact CB-OE1 3.47Å; H132-E135 IonicContact CE1-OE1 2.68Å; H132-E135 IonicContact CG-OE1 2.77Å; H132-E135 VanDerWaalsContact CG-OE1 3.32Å; H132-E135 IonicContact ND1-OE1 3.41Å; H132-E135 PolarHBondContact ND1-OE1 2.9Å; H132-E135 IonicContact ND1-OE2 2.81Å; H132-E135 PolarHBondContact ND1-OE2 2.83Å; H132-E135 PolarHBondContact O-N 2.8Å; H132-R194 WeakPolarHBondContact CA-O 3.48Å; H132-R194 HydrophobicContact CB-CG 3.92Å; H132-R194 PolarHBondContact CE1-NH1 2.9Å; H132-R194 PolarHBondContact CE1-NH2 2.95Å; H132-R194 PolarHBondContact ND1-NH1 3.26Å; H132-R194 PolarHBondContact NE2-NH2 2.95Å; H132-D214 IonicContact CD2-OD1 3.32Å; H132-D214 IonicContact NE2-OD1 3.74Å; H132-D214 PolarHBondContact NE2-OD1 3.04Å; H132-D214 VanDerWaalsContact NE2-OD1 3.16Å; H132-N216 WeakPolarHBondContact NE2-CB 3.34Å; H132-H269 AromaticContact CE1-CE1 3.2Å; H132-H269 PolarHBondContact CE1-CE1 3.05Å; H132-H269 AromaticContact CE1-ND1 3.35Å; H132-H269 PolarHBondContact CE1-ND1 2.84Å; H132-H269 VanDerWaalsContact CE1-ND1 3.35Å; H132-H269 AromaticContact ND1-CE1 3.37Å; H132-H269 PolarHBondContact ND1-CE1 3.14Å; H132-H269 AromaticContact ND1-ND1 3.13Å; H132-H269 PolarHBondContact ND1-ND1 3.31Å; H132-H269 VanDerWaalsContact ND1-ND1 3.13Å; H132-H269 AromaticContact NE2-CE1 3.83Å
133A97.5Very high96.9Very high0 Ų04.5 Ų4.50%02%0.022CC..THydrogen-bonded Turntrans-66.1-38.1-168.600000114.3E135 W136 G178 T182 W193 R194A133-E135 VanDerWaalsContact C-N 3.25Å; A133-E135 PolarHBondContact O-N 2.97Å; A133-W136 PolarHBondContact O-NE1 3.28Å; A133-G178 VanDerWaalsContact CB-O 3.26Å; A133-G178 WeakPolarHBondContact CB-O 3.47Å; A133-T182 HydrophobicContact CB-CG2 3.61Å; A133-W193 WeakPolarHBondContact CB-O 3.46Å; A133-R194 PolarHBondContact N-O 3.33Å
134R96.3Very high96.7Very high35 Ų353.9 Ų3.913%0.1322%0.018CC..THydrogen-bonded Turntrans-69.4-13.5-176.465.3-164.8-173.2-164.3-1.2115.8H132 W136 R191 L192 W193 D235 F356H132-R134 PolarHBondContact O-N 3.27Å; R134-W136 VanDerWaalsContact C-N 3.28Å; R134-W136 PolarHBondContact O-N 3.01Å; R134-R191 PolarHBondContact O-NH1 3.39Å; R134-L192 WeakPolarHBondContact CD-O 3.24Å; R134-L192 PolarHBondContact NH1-O 3.28Å; R134-W193 WeakPolarHBondContact CB-O 3.21Å; R134-W193 PolarHBondContact N-O 3.22Å; R134-D235 IonicContact NH1-OD2 2.77Å; R134-D235 PolarHBondContact NH1-OD2 2.84Å; R134-F356 HydrophobicContact CG-CB 4.46Å; R134-F356 HydrophobicContact CG-CD1 3.95Å; R134-F356 HydrophobicContact CG-CD2 4.36Å; R134-F356 HydrophobicContact CG-CE1 4.27Å; R134-F356 HydrophobicContact CG-CG 3.99Å; R134-F356 VanDerWaalsContact NE-CE2 3.29Å; R134-F356 VanDerWaalsContact NE-CZ 3.28Å
135E96.4Very high96.6Very high3 Ų33.8 Ų3.81%0.0142%0.018CC..  trans-87.753.2-167.7-64.6175.8-166.100112.4H132 A133 A137 S138 Q139 R194 H269 T270 F356H132-E135 VanDerWaalsContact CB-CD 3.49Å; H132-E135 HydrophobicContact CB-CG 4.01Å; H132-E135 VanDerWaalsContact CB-OE1 3.25Å; H132-E135 WeakPolarHBondContact CB-OE1 3.47Å; H132-E135 IonicContact CE1-OE1 2.68Å; H132-E135 IonicContact CG-OE1 2.77Å; H132-E135 VanDerWaalsContact CG-OE1 3.32Å; H132-E135 IonicContact ND1-OE1 3.41Å; H132-E135 PolarHBondContact ND1-OE1 2.9Å; H132-E135 IonicContact ND1-OE2 2.81Å; H132-E135 PolarHBondContact ND1-OE2 2.83Å; H132-E135 PolarHBondContact O-N 2.8Å; A133-E135 VanDerWaalsContact C-N 3.25Å; A133-E135 PolarHBondContact O-N 2.97Å; E135-A137 PolarHBondContact O-N 3.37Å; E135-S138 VanDerWaalsContact O-CB 3.27Å; E135-S138 WeakPolarHBondContact O-CB 3.48Å; E135-S138 PolarHBondContact O-N 3.35Å; E135-S138 PolarHBondContact O-OG 2.72Å; E135-Q139 VanDerWaalsContact C-OE1 3.31Å; E135-Q139 PolarHBondContact O-OE1 3.32Å; E135-R194 IonicContact OE1-NH1 3.32Å; E135-H269 IonicContact OE1-ND1 3.58Å; E135-H269 WeakPolarHBondContact OE2-CA 3.46Å; E135-H269 WeakPolarHBondContact OE2-CB 2.99Å; E135-H269 IonicContact OE2-CG 2.63Å; E135-H269 IonicContact OE2-ND1 2.72Å; E135-H269 PolarHBondContact OE2-ND1 3.21Å; E135-T270 WeakPolarHBondContact CA-OG1 3.22Å; E135-T270 HydrophobicContact CB-CG2 4.43Å; E135-T270 VanDerWaalsContact CB-OG1 3.24Å; E135-T270 WeakPolarHBondContact CB-OG1 3.49Å; E135-T270 VanDerWaalsContact CG-O 3.24Å; E135-T270 WeakPolarHBondContact CG-O 3.47Å; E135-T270 WeakPolarHBondContact CG-OG1 3.42Å; E135-T270 PolarHBondContact OE2-N 3.01Å; E135-F356 HydrophobicContact CG-CD1 3.89Å; E135-F356 HydrophobicContact CG-CE1 3.96Å
136W93.6Very high96.4Very high1 Ų13.8 Ų3.80%0.0042%0.018CC..Hα-helixtrans-54.7-29.8-164.6-69.2-0.1000116.1E41 Y69 A133 R134 S138 Q139 T140 Y179 T182 R183 R191E41-W136 VanDerWaalsContact CD-CZ3 3.49Å; E41-W136 HydrophobicContact CG-CZ3 4.34Å; E41-W136 VanDerWaalsContact OE2-CH2 3.27Å; E41-W136 WeakPolarHBondContact OE2-CH2 3.22Å; E41-W136 WeakPolarHBondContact OE2-CZ3 3.36Å; Y69-W136 HydrophobicContact CD1-CB 4.33Å; Y69-W136 HydrophobicContact CD1-CD2 4.24Å; Y69-W136 AromaticContact CD1-CE3 3.42Å; Y69-W136 HydrophobicContact CD1-CE3 3.42Å; Y69-W136 VanDerWaalsContact CD1-CE3 3.42Å; Y69-W136 HydrophobicContact CD1-CZ3 4.11Å; Y69-W136 HydrophobicContact CD2-CE3 4.04Å; Y69-W136 HydrophobicContact CD2-CZ3 4.16Å; Y69-W136 HydrophobicContact CE1-CB 3.7Å; Y69-W136 HydrophobicContact CE1-CD2 4.32Å; Y69-W136 AromaticContact CE1-CE3 3.65Å; Y69-W136 HydrophobicContact CE1-CE3 3.65Å; Y69-W136 HydrophobicContact CE1-CG 4.42Å; Y69-W136 HydrophobicContact CE2-CE3 4.22Å; Y69-W136 AromaticContact CG-CE3 3.61Å; Y69-W136 HydrophobicContact CG-CE3 3.61Å; Y69-W136 AromaticContact CG-CZ3 3.83Å; Y69-W136 HydrophobicContact CG-CZ3 3.83Å; A133-W136 PolarHBondContact O-NE1 3.28Å; R134-W136 VanDerWaalsContact C-N 3.28Å; R134-W136 PolarHBondContact O-N 3.01Å; W136-S138 PolarHBondContact O-N 3.22Å; W136-Q139 PolarHBondContact O-N 3.08Å; W136-Q139 PolarHBondContact O-OE1 2.95Å; W136-T140 PolarHBondContact O-N 2.95Å; W136-T140 VanDerWaalsContact O-N 3.14Å; W136-T140 PolarHBondContact O-OG1 3.32Å; W136-Y179 AromaticContact CD1-CD2 3.92Å; W136-Y179 AromaticContact CD1-CE2 3.54Å; W136-Y179 HydrophobicContact CG-CE2 4.12Å; W136-Y179 AromaticContact NE1-CD2 3.85Å; W136-Y179 AromaticContact NE1-CE2 3.64Å; W136-T182 WeakPolarHBondContact CZ2-O 3.24Å; W136-T182 PolarHBondContact NE1-OG1 3.4Å; W136-R183 VanDerWaalsContact CH2-CD 3.48Å; W136-R183 HydrophobicContact CZ2-CG 3.98Å; W136-R191 VanDerWaalsContact CD2-CZ 3.45Å; W136-R191 VanDerWaalsContact CE2-CZ 3.41Å; W136-R191 VanDerWaalsContact CZ3-NE 3.31Å
137A93.6Very high96Very high1 Ų15.5 Ų5.51%0.0083%0.025CC..Hα-helixtrans-66.8-21.7176.500000112.8E135 S141 T270 V358 L363 I366E135-A137 PolarHBondContact O-N 3.37Å; A137-S141 VanDerWaalsContact O-CB 3.28Å; A137-S141 WeakPolarHBondContact O-CB 3.19Å; A137-S141 PolarHBondContact O-N 3.22Å; A137-S141 PolarHBondContact O-OG 2.64Å; A137-T270 HydrophobicContact CB-CG2 4.06Å; A137-V358 HydrophobicContact CB-CG2 4.38Å; A137-L363 HydrophobicContact CB-CD2 3.85Å; A137-I366 HydrophobicContact CB-CD1 4.33Å; A137-I366 HydrophobicContact CB-CG2 4.49Å
138S96.9Very high95.6Very high0 Ų06.7 Ų6.70%03%0.03CC..Hα-helixtrans-66.7-52.1172.470.30000111.3A129 G130 E135 W136 T140 S141 A142 I268A129-S138 WeakPolarHBondContact CB-O 3.19Å; G130-S138 PolarHBondContact N-OG 3.43Å; G130-S138 VanDerWaalsContact N-OG 3.11Å; E135-S138 VanDerWaalsContact O-CB 3.27Å; E135-S138 WeakPolarHBondContact O-CB 3.48Å; E135-S138 PolarHBondContact O-N 3.35Å; E135-S138 PolarHBondContact O-OG 2.72Å; W136-S138 PolarHBondContact O-N 3.22Å; S138-T140 VanDerWaalsContact C-N 3.33Å; S138-T140 PolarHBondContact O-N 3.03Å; S138-S141 PolarHBondContact O-N 3.39Å; S138-S141 VanDerWaalsContact O-N 3.14Å; S138-A142 PolarHBondContact O-N 2.68Å; S138-I268 VanDerWaalsContact CB-O 3.27Å; S138-I268 WeakPolarHBondContact CB-O 3.5Å
139Q95.3Very high95.4Very high0 Ų06.7 Ų6.70%03%0.03CC..Hα-helixtrans-58.3-47.6177.4-65.888.3-2200110I79 G130 E135 W136 S141 A142 V143 P172 V173 Y179I79-Q139 HydrophobicContact CD1-CB 4.47Å; G130-Q139 VanDerWaalsContact CA-CD 3.44Å; E135-Q139 VanDerWaalsContact C-OE1 3.31Å; E135-Q139 PolarHBondContact O-OE1 3.32Å; W136-Q139 PolarHBondContact O-N 3.08Å; W136-Q139 PolarHBondContact O-OE1 2.95Å; Q139-S141 VanDerWaalsContact C-N 3.3Å; Q139-S141 PolarHBondContact O-N 3.23Å; Q139-A142 PolarHBondContact O-N 2.79Å; Q139-V143 WeakPolarHBondContact O-CG2 3.49Å; Q139-V143 PolarHBondContact O-N 2.74Å; Q139-P172 WeakPolarHBondContact CA-O 3.44Å; Q139-P172 WeakPolarHBondContact CB-O 3.27Å; Q139-P172 WeakPolarHBondContact CG-O 3.39Å; Q139-V173 HydrophobicContact CG-CG2 4.21Å; Q139-Y179 HydrophobicContact CG-CD2 4.41Å; Q139-Y179 HydrophobicContact CG-CE2 4.25Å; Q139-Y179 VanDerWaalsContact NE2-CD2 3.35Å
140T92.4Very high94.9Very high19 Ų196.7 Ų6.712%0.1173%0.03CC..Hα-helixtrans-57.9-41.9177.3-60.50000112.1F66 W136 S138 V143 Y144 L363F66-T140 HydrophobicContact CD1-CG2 4.08Å; W136-T140 PolarHBondContact O-N 2.95Å; W136-T140 VanDerWaalsContact O-N 3.14Å; W136-T140 PolarHBondContact O-OG1 3.32Å; S138-T140 VanDerWaalsContact C-N 3.33Å; S138-T140 PolarHBondContact O-N 3.03Å; T140-V143 PolarHBondContact O-N 3.36Å; T140-Y144 WeakPolarHBondContact O-CB 3.27Å; T140-Y144 PolarHBondContact O-N 3.41Å; T140-L363 HydrophobicContact CG2-CB 4.18Å; T140-L363 HydrophobicContact CG2-CD2 4.15Å
141S96Very high94.2Very high0 Ų08 Ų80%04%0.038CC..Hα-helixtrans-66-43178.4-620000112A137 S138 Q139 V143 Y144 I145 L346A137-S141 VanDerWaalsContact O-CB 3.28Å; A137-S141 WeakPolarHBondContact O-CB 3.19Å; A137-S141 PolarHBondContact O-N 3.22Å; A137-S141 PolarHBondContact O-OG 2.64Å; S138-S141 PolarHBondContact O-N 3.39Å; S138-S141 VanDerWaalsContact O-N 3.14Å; Q139-S141 VanDerWaalsContact C-N 3.3Å; Q139-S141 PolarHBondContact O-N 3.23Å; S141-V143 VanDerWaalsContact C-N 3.34Å; S141-V143 PolarHBondContact O-N 3.36Å; S141-Y144 WeakPolarHBondContact O-CB 3.2Å; S141-Y144 PolarHBondContact O-N 3.35Å; S141-I145 VanDerWaalsContact O-CG1 3.28Å; S141-I145 WeakPolarHBondContact O-CG1 3.5Å; S141-I145 PolarHBondContact O-N 2.88Å; S141-L346 WeakPolarHBondContact OG-CD1 3.42Å
142A97.4Very high93.4Very high0 Ų010.2 Ų10.20%05%0.049CC..Hα-helixtrans-60.7-42.4175.100000112.3A129 S138 Q139 Y144 I145 I146 I170 P172A129-A142 HydrophobicContact CB-CB 3.59Å; S138-A142 PolarHBondContact O-N 2.68Å; Q139-A142 PolarHBondContact O-N 2.79Å; A142-Y144 VanDerWaalsContact C-N 3.33Å; A142-Y144 PolarHBondContact O-N 3.33Å; A142-I145 PolarHBondContact O-N 2.95Å; A142-I146 PolarHBondContact O-N 3.46Å; A142-I170 HydrophobicContact CB-CG2 4.22Å; A142-P172 HydrophobicContact CB-CB 3.98Å
143V94.6Very high92.3Very high3 Ų311.5 Ų11.52%0.0185%0.054CC..Hα-helixtrans-67.5-35.3176.6-175.10000112I64 F66 I79 Y82 Q139 T140 S141 I145 I146 F147 P172I64-V143 HydrophobicContact CD1-CB 4.28Å; I64-V143 HydrophobicContact CD1-CG1 3.29Å; F66-V143 HydrophobicContact CE1-CB 4.29Å; F66-V143 HydrophobicContact CE1-CG1 4.11Å; F66-V143 HydrophobicContact CZ-CG1 4.45Å; I79-V143 HydrophobicContact CD1-CG2 4.39Å; I79-V143 HydrophobicContact CG1-CG2 4.31Å; I79-V143 HydrophobicContact CG2-CG2 3.96Å; Y82-V143 HydrophobicContact CD1-CG1 3.56Å; Y82-V143 HydrophobicContact CE1-CG1 3.48Å; Y82-V143 VanDerWaalsContact CE1-CG1 3.48Å; Q139-V143 WeakPolarHBondContact O-CG2 3.49Å; Q139-V143 PolarHBondContact O-N 2.74Å; T140-V143 PolarHBondContact O-N 3.36Å; S141-V143 VanDerWaalsContact C-N 3.34Å; S141-V143 PolarHBondContact O-N 3.36Å; V143-I145 VanDerWaalsContact C-N 3.35Å; V143-I146 WeakPolarHBondContact O-CB 3.41Å; V143-I146 PolarHBondContact O-N 2.93Å; V143-F147 PolarHBondContact O-N 2.82Å; V143-P172 HydrophobicContact CG2-CB 3.71Å; V143-P172 HydrophobicContact CG2-CG 4.23Å
144Y93.7Very high90.7Very high12 Ų1214.8 Ų14.85%0.0478%0.077CC..Hα-helixtrans-65.1-38.4175.1-178.8-99.6000112.5F66 T140 S141 A142 I146 F147 K148 L364 A367 R368 W371F66-Y144 HydrophobicContact CE1-CD2 4.19Å; F66-Y144 HydrophobicContact CE2-CD2 4.38Å; F66-Y144 HydrophobicContact CZ-CD2 4.1Å; T140-Y144 WeakPolarHBondContact O-CB 3.27Å; T140-Y144 PolarHBondContact O-N 3.41Å; S141-Y144 WeakPolarHBondContact O-CB 3.2Å; S141-Y144 PolarHBondContact O-N 3.35Å; A142-Y144 VanDerWaalsContact C-N 3.33Å; A142-Y144 PolarHBondContact O-N 3.33Å; Y144-I146 VanDerWaalsContact C-N 3.31Å; Y144-I146 PolarHBondContact O-N 3.44Å; Y144-F147 HydrophobicContact CD2-CD1 4.31Å; Y144-F147 HydrophobicContact CE2-CD1 4.16Å; Y144-F147 WeakPolarHBondContact O-CB 3.27Å; Y144-F147 PolarHBondContact O-N 3.26Å; Y144-K148 HydrophobicContact CD1-CG 3.94Å; Y144-K148 HydrophobicContact CE1-CD 4.02Å; Y144-K148 HydrophobicContact CE1-CG 3.36Å; Y144-K148 HydrophobicContact CE2-CD 4.47Å; Y144-K148 HydrophobicContact CE2-CG 4.17Å; Y144-K148 VanDerWaalsContact CZ-CG 3.49Å; Y144-K148 WeakPolarHBondContact O-CG 3.49Å; Y144-K148 PolarHBondContact O-N 2.73Å; Y144-K148 VanDerWaalsContact OH-CD 3.31Å; Y144-K148 WeakPolarHBondContact OH-CD 3.49Å; Y144-K148 WeakPolarHBondContact OH-CE 3.4Å; Y144-L364 HydrophobicContact CD2-CD1 3.54Å; Y144-L364 HydrophobicContact CE2-CD1 3.54Å; Y144-L364 HydrophobicContact CG-CD1 4.49Å; Y144-A367 HydrophobicContact CD1-CB 3.77Å; Y144-A367 WeakPolarHBondContact CD1-O 3.44Å; Y144-A367 HydrophobicContact CD2-CB 4.33Å; Y144-A367 HydrophobicContact CG-CB 3.61Å; Y144-R368 HydrophobicContact CE1-CB 4.44Å; Y144-R368 HydrophobicContact CE1-CG 3.96Å; Y144-R368 HydrophobicContact CE2-CG 4.25Å; Y144-R368 WeakPolarHBondContact OH-CG 3.31Å; Y144-W371 HydrophobicContact CE1-CB 4.26Å
145I95.7Very high89.1Confident0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-60.1-44.9174.8-66161.9000110.1I127 S141 A142 V143 F147 K148 L149 I170 I268 W371 I374I127-I145 HydrophobicContact CD1-CD1 4.29Å; I127-I145 HydrophobicContact CD1-CG2 4.25Å; S141-I145 VanDerWaalsContact O-CG1 3.28Å; S141-I145 WeakPolarHBondContact O-CG1 3.5Å; S141-I145 PolarHBondContact O-N 2.88Å; A142-I145 PolarHBondContact O-N 2.95Å; V143-I145 VanDerWaalsContact C-N 3.35Å; I145-F147 PolarHBondContact O-N 3.38Å; I145-K148 PolarHBondContact O-N 3.31Å; I145-L149 HydrophobicContact CG2-CD1 3.96Å; I145-L149 HydrophobicContact CG2-CG 4.45Å; I145-L149 VanDerWaalsContact O-CG 3.32Å; I145-L149 WeakPolarHBondContact O-CG 3.37Å; I145-L149 PolarHBondContact O-N 2.94Å; I145-I170 HydrophobicContact CG2-CD1 3.75Å; I145-I268 HydrophobicContact CD1-CD1 4.02Å; I145-W371 HydrophobicContact CB-CE3 4.44Å; I145-W371 HydrophobicContact CG1-CE3 4.18Å; I145-W371 HydrophobicContact CG2-CE3 3.9Å; I145-W371 HydrophobicContact CG2-CZ3 3.88Å; I145-I374 HydrophobicContact CD1-CD1 3.45Å; I145-I374 VanDerWaalsContact CD1-CD1 3.45Å
146I94.8Very high87.6Confident0 Ų027.3 Ų27.30%013%0.134CC..Hα-helixtrans-57.9-50.2174.7-67.1160.7000110.3Y82 L83 V86 I111 I113 A142 V143 Y144 K148 L149 V150 I170 P172Y82-I146 HydrophobicContact CE1-CB 4.43Å; Y82-I146 HydrophobicContact CE1-CG2 3.87Å; L83-I146 HydrophobicContact CD2-CD1 3.58Å; V86-I146 HydrophobicContact CG1-CG2 4.49Å; V86-I146 HydrophobicContact CG2-CG2 4.37Å; I111-I146 HydrophobicContact CD1-CG2 4.3Å; I111-I146 HydrophobicContact CG2-CD1 3.49Å; I111-I146 VanDerWaalsContact CG2-CD1 3.49Å; I111-I146 HydrophobicContact CG2-CG1 3.69Å; I111-I146 HydrophobicContact CG2-CG2 4.42Å; I113-I146 HydrophobicContact CD1-CB 4.38Å; I113-I146 HydrophobicContact CD1-CG1 4.25Å; I113-I146 HydrophobicContact CD1-CG2 4.04Å; A142-I146 PolarHBondContact O-N 3.46Å; V143-I146 WeakPolarHBondContact O-CB 3.41Å; V143-I146 PolarHBondContact O-N 2.93Å; Y144-I146 VanDerWaalsContact C-N 3.31Å; Y144-I146 PolarHBondContact O-N 3.44Å; I146-K148 VanDerWaalsContact C-N 3.33Å; I146-K148 PolarHBondContact O-N 3.16Å; I146-L149 PolarHBondContact O-N 2.79Å; I146-V150 WeakPolarHBondContact O-CG2 3.49Å; I146-V150 PolarHBondContact O-N 3.2Å; I146-I170 HydrophobicContact CD1-CB 4.09Å; I146-I170 HydrophobicContact CD1-CG2 3.76Å; I146-I170 HydrophobicContact CG1-CB 4.03Å; I146-I170 HydrophobicContact CG1-CD1 3.69Å; I146-I170 HydrophobicContact CG1-CG1 4.44Å; I146-I170 HydrophobicContact CG1-CG2 3.91Å; I146-P172 HydrophobicContact CD1-CG 3.58Å
147F91.3Very high86.3Confident35 Ų3532.4 Ų32.415%0.15417%0.17CC..Hα-helixtrans-54.9-47.3177.1170.8-94.6000112.1F66 Y82 V143 Y144 I145 V150 T151F66-F147 HydrophobicContact CE2-CB 4.24Å; F66-F147 HydrophobicContact CE2-CD1 4.31Å; F66-F147 HydrophobicContact CE2-CD2 4.2Å; F66-F147 AromaticContact CE2-CG 3.99Å; F66-F147 HydrophobicContact CE2-CG 3.99Å; F66-F147 HydrophobicContact CZ-CB 3.71Å; F66-F147 HydrophobicContact CZ-CD1 4.46Å; F66-F147 HydrophobicContact CZ-CD2 4.46Å; F66-F147 AromaticContact CZ-CG 3.98Å; F66-F147 HydrophobicContact CZ-CG 3.98Å; Y82-F147 VanDerWaalsContact OH-CA 3.25Å; Y82-F147 WeakPolarHBondContact OH-CA 3.2Å; Y82-F147 WeakPolarHBondContact OH-CB 3.5Å; V143-F147 PolarHBondContact O-N 2.82Å; Y144-F147 HydrophobicContact CD2-CD1 4.31Å; Y144-F147 HydrophobicContact CE2-CD1 4.16Å; Y144-F147 WeakPolarHBondContact O-CB 3.27Å; Y144-F147 PolarHBondContact O-N 3.26Å; I145-F147 PolarHBondContact O-N 3.38Å; F147-V150 PolarHBondContact O-N 3.42Å; F147-T151 HydrophobicContact CD2-CG2 3.72Å; F147-T151 HydrophobicContact CE2-CG2 3.57Å; F147-T151 HydrophobicContact CG-CG2 4.38Å; F147-T151 HydrophobicContact CZ-CG2 4.1Å; F147-T151 WeakPolarHBondContact O-CB 3.37Å; F147-T151 WeakPolarHBondContact O-CG2 3.45Å; F147-T151 PolarHBondContact O-N 2.88Å; F147-T151 PolarHBondContact O-OG1 3.44Å
148K90.6Very high85.6Confident25 Ų2539.8 Ų39.811%0.10920%0.197CC..Hα-helixtrans-60.8-46.7178.7-79.4-69.1-109.7168.70112.1Y144 I145 I146 V150 E152Y144-K148 HydrophobicContact CD1-CG 3.94Å; Y144-K148 HydrophobicContact CE1-CD 4.02Å; Y144-K148 HydrophobicContact CE1-CG 3.36Å; Y144-K148 HydrophobicContact CE2-CD 4.47Å; Y144-K148 HydrophobicContact CE2-CG 4.17Å; Y144-K148 VanDerWaalsContact CZ-CG 3.49Å; Y144-K148 WeakPolarHBondContact O-CG 3.49Å; Y144-K148 PolarHBondContact O-N 2.73Å; Y144-K148 VanDerWaalsContact OH-CD 3.31Å; Y144-K148 WeakPolarHBondContact OH-CD 3.49Å; Y144-K148 WeakPolarHBondContact OH-CE 3.4Å; I145-K148 PolarHBondContact O-N 3.31Å; I146-K148 VanDerWaalsContact C-N 3.33Å; I146-K148 PolarHBondContact O-N 3.16Å; K148-V150 VanDerWaalsContact C-N 3.35Å; K148-V150 PolarHBondContact O-N 2.96Å; K148-E152 HydrophobicContact CD-CG 4.5Å; K148-E152 WeakPolarHBondContact CD-OE1 3.45Å; K148-E152 IonicContact NZ-OE1 3.12Å; K148-E152 PolarHBondContact NZ-OE1 3.28Å; K148-E152 IonicContact NZ-OE2 3.4Å; K148-E152 PolarHBondContact NZ-OE2 3.39Å; K148-E152 WeakPolarHBondContact O-CB 3.38Å; K148-E152 PolarHBondContact O-N 3.38Å
149L92.9Very high85.1Confident0 Ų040.4 Ų40.40%020%0.2CC..Hα-helixtrans-60.2-43.4179.4-72169000111.8I113 I145 I146 F153 M159 I163 W168 I170 W371I113-L149 HydrophobicContact CD1-CB 4.23Å; I113-L149 HydrophobicContact CD1-CD1 4.05Å; I113-L149 HydrophobicContact CG2-CB 4.36Å; I145-L149 HydrophobicContact CG2-CD1 3.96Å; I145-L149 HydrophobicContact CG2-CG 4.45Å; I145-L149 VanDerWaalsContact O-CG 3.32Å; I145-L149 WeakPolarHBondContact O-CG 3.37Å; I145-L149 PolarHBondContact O-N 2.94Å; I146-L149 PolarHBondContact O-N 2.79Å; L149-F153 WeakPolarHBondContact O-CB 3.4Å; L149-M159 HydrophobicContact CD2-CE 4.24Å; L149-I163 HydrophobicContact CB-CD1 4.33Å; L149-I163 HydrophobicContact CD2-CD1 4.29Å; L149-W168 HydrophobicContact CD1-CB 4.17Å; L149-W168 HydrophobicContact CD1-CD2 3.76Å; L149-W168 HydrophobicContact CD1-CE3 4.11Å; L149-W168 HydrophobicContact CD1-CG 3.77Å; L149-W168 HydrophobicContact CD2-CD2 4.21Å; L149-W168 HydrophobicContact CD2-CZ2 3.98Å; L149-I170 HydrophobicContact CD1-CD1 3.76Å; L149-W371 HydrophobicContact CD2-CH2 3.76Å; L149-W371 HydrophobicContact CD2-CZ3 4.18Å; L149-W371 HydrophobicContact CG-CH2 4.33Å; L149-W371 HydrophobicContact CG-CZ3 4.35Å
150V89.9Confident84.8Confident1 Ų145.6 Ų45.61%0.00622%0.22CC..Hα-helixtrans-91-19.3-172.6-540000115V86 Y90 I113 I146 F147 K148 F153V86-V150 HydrophobicContact CG1-CB 4.16Å; V86-V150 HydrophobicContact CG1-CG1 3.65Å; V86-V150 HydrophobicContact CG1-CG2 4.03Å; V86-V150 HydrophobicContact CG2-CG2 4.29Å; Y90-V150 HydrophobicContact CD2-CB 3.91Å; Y90-V150 HydrophobicContact CD2-CG2 4.3Å; Y90-V150 HydrophobicContact CE2-CB 3.88Å; Y90-V150 HydrophobicContact CE2-CG2 3.94Å; Y90-V150 VanDerWaalsContact CZ-O 3.27Å; Y90-V150 PolarHBondContact OH-O 2.73Å; I113-V150 HydrophobicContact CD1-CG1 3.92Å; I113-V150 HydrophobicContact CG1-CG1 4.45Å; I113-V150 HydrophobicContact CG2-CG1 4.35Å; I146-V150 WeakPolarHBondContact O-CG2 3.49Å; I146-V150 PolarHBondContact O-N 3.2Å; F147-V150 PolarHBondContact O-N 3.42Å; K148-V150 VanDerWaalsContact C-N 3.35Å; K148-V150 PolarHBondContact O-N 2.96Å; V150-F153 WeakPolarHBondContact O-CD1 3.48Å; V150-F153 WeakPolarHBondContact O-CE1 3.43Å
151T82.5Confident84.7Confident28 Ų2847.5 Ų47.517%0.17223%0.227CC..Hα-helixtrans-97.3-27.1179.759.30000113.5F147F147-T151 HydrophobicContact CD2-CG2 3.72Å; F147-T151 HydrophobicContact CE2-CG2 3.57Å; F147-T151 HydrophobicContact CG-CG2 4.38Å; F147-T151 HydrophobicContact CZ-CG2 4.1Å; F147-T151 WeakPolarHBondContact O-CB 3.37Å; F147-T151 WeakPolarHBondContact O-CG2 3.45Å; F147-T151 PolarHBondContact O-N 2.88Å; F147-T151 PolarHBondContact O-OG1 3.44Å
152E81.9Confident84.6Confident48 Ų4847.7 Ų47.722%0.22423%0.227CC..Hα-helixtrans-99.6-10.1-176.2-62.8-171.9-17400113.8K148 S154 N155 R156 M159K148-E152 HydrophobicContact CD-CG 4.5Å; K148-E152 WeakPolarHBondContact CD-OE1 3.45Å; K148-E152 IonicContact NZ-OE1 3.12Å; K148-E152 PolarHBondContact NZ-OE1 3.28Å; K148-E152 IonicContact NZ-OE2 3.4Å; K148-E152 PolarHBondContact NZ-OE2 3.39Å; K148-E152 WeakPolarHBondContact O-CB 3.38Å; K148-E152 PolarHBondContact O-N 3.38Å; E152-S154 VanDerWaalsContact C-N 3.3Å; E152-S154 PolarHBondContact O-N 3.23Å; E152-N155 PolarHBondContact O-N 2.73Å; E152-R156 PolarHBondContact O-N 2.63Å; E152-M159 HydrophobicContact CB-CB 4.4Å; E152-M159 HydrophobicContact CB-CG 3.81Å
153F75Confident84.5Confident31 Ų3147.7 Ų47.714%0.13623%0.227CC..THydrogen-bonded Turntrans-65.2-31.217985.1-86.2000113.4Y90 I93 L149 V150 R160 I163Y90-F153 AromaticContact CD1-CE1 3.65Å; Y90-F153 HydrophobicContact CD1-CE1 3.65Å; Y90-F153 AromaticContact CD1-CZ 3.82Å; Y90-F153 HydrophobicContact CD1-CZ 3.82Å; Y90-F153 AromaticContact CE1-CE1 3.63Å; Y90-F153 HydrophobicContact CE1-CE1 3.63Å; Y90-F153 HydrophobicContact CE1-CZ 4.03Å; Y90-F153 HydrophobicContact CG-CE1 4.4Å; I93-F153 HydrophobicContact CD1-CD1 3.73Å; I93-F153 HydrophobicContact CD1-CD2 4.23Å; I93-F153 HydrophobicContact CD1-CE1 3.42Å; I93-F153 VanDerWaalsContact CD1-CE1 3.42Å; I93-F153 HydrophobicContact CD1-CE2 3.97Å; I93-F153 HydrophobicContact CD1-CG 4.13Å; I93-F153 HydrophobicContact CD1-CZ 3.56Å; L149-F153 WeakPolarHBondContact O-CB 3.4Å; V150-F153 WeakPolarHBondContact O-CD1 3.48Å; V150-F153 WeakPolarHBondContact O-CE1 3.43Å; F153-R160 WeakPolarHBondContact O-CG 3.19Å; F153-I163 HydrophobicContact CB-CG1 3.75Å; F153-I163 HydrophobicContact CG-CG1 4.37Å
154S63.4Low84.3Confident68 Ų6851.7 Ų51.748%0.47624%0.243SC..THydrogen-bonded Turntrans-76.7-28.8179.660.50000112.4E152E152-S154 VanDerWaalsContact C-N 3.3Å; E152-S154 PolarHBondContact O-N 3.23Å
155N62.4Low84.3Confident130 Ų13053 Ų5370%0.69525%0.251SS*.THydrogen-bonded Turntrans-101.3-19.2-165.6-65.5-10.9000113.6E152E152-N155 PolarHBondContact O-N 2.73Å
156R64.8Low84.4Confident172 Ų17253 Ų5365%0.64925%0.251SS*.  trans-137.3126.1-175.8-62.2-171.9179.4-154.5-0.1112E152 R158 M159E152-R156 PolarHBondContact O-N 2.63Å; R156-R158 PolarHBondContact O-N 3.04Å; R156-M159 PolarHBondContact O-N 3.03Å; R156-M159 VanDerWaalsContact O-N 3.08Å
157S67Low84.5Confident108 Ų10853.1 Ų53.176%0.75525%0.251SS*.Hα-helixtrans-50.2-35.5176.157.80000113M159 R160S157-M159 PolarHBondContact O-N 3.37Å; S157-R160 PolarHBondContact O-N 2.84Å
158R78.5Confident84.8Confident156 Ų15651.5 Ų51.559%0.58924%0.244SC*.Hα-helixtrans-67.4-28.8-177.8-160175.6-177.2176.92.1114.4R156 K161R156-R158 PolarHBondContact O-N 3.04Å; R158-K161 WeakPolarHBondContact O-CG 3.31Å
159M86.2Confident85.2Confident13 Ų1350.7 Ų50.76%0.06424%0.241CC..Hα-helixtrans-84.1-26.2178.8-73.2-62.2-66.200112.3L149 E152 R156 S157 K161 Y162 W371L149-M159 HydrophobicContact CD2-CE 4.24Å; E152-M159 HydrophobicContact CB-CB 4.4Å; E152-M159 HydrophobicContact CB-CG 3.81Å; R156-M159 PolarHBondContact O-N 3.03Å; R156-M159 VanDerWaalsContact O-N 3.08Å; S157-M159 PolarHBondContact O-N 3.37Å; M159-K161 PolarHBondContact O-N 2.82Å; M159-Y162 HydrophobicContact CE-CD2 4.01Å; M159-Y162 HydrophobicContact CE-CE2 4.5Å; M159-Y162 WeakPolarHBondContact O-CB 3.45Å; M159-Y162 PolarHBondContact O-N 2.92Å; M159-Y162 VanDerWaalsContact O-N 3.11Å; M159-Y162 HydrophobicContact SD-CD2 3.68Å; M159-Y162 HydrophobicContact SD-CE2 3.7Å; M159-W371 HydrophobicContact CE-CH2 4.02Å; M159-W371 HydrophobicContact CE-CZ2 3.54Å; M159-W371 HydrophobicContact SD-CZ2 3.78Å
160R89Confident85.5Confident108 Ų10850.7 Ų50.741%0.40824%0.241SC..Hα-helixtrans-56.2-39.7177.3-68.6179.766.499.1-2.8111.8F153 S157 Y162 I163 Y164F153-R160 WeakPolarHBondContact O-CG 3.19Å; S157-R160 PolarHBondContact O-N 2.84Å; R160-Y162 PolarHBondContact O-N 2.9Å; R160-Y162 VanDerWaalsContact O-N 3.11Å; R160-I163 PolarHBondContact O-N 2.81Å; R160-Y164 HydrophobicContact CB-CD2 4.04Å; R160-Y164 HydrophobicContact CB-CE2 4.25Å; R160-Y164 PolarHBondContact NH2-OH 3.12Å; R160-Y164 VanDerWaalsContact NH2-OH 3.08Å; R160-Y164 VanDerWaalsContact O-CD2 3.3Å; R160-Y164 WeakPolarHBondContact O-CD2 3.37Å; R160-Y164 PolarHBondContact O-N 3.12Å
161K91.1Very high85.9Confident60 Ų6050.7 Ų50.726%0.26124%0.24SC..Hα-helixtrans-55.4-34-179.880.1-174.7178.4158.30112.7R158 M159 N165 D379 I382R158-K161 WeakPolarHBondContact O-CG 3.31Å; M159-K161 PolarHBondContact O-N 2.82Å; K161-N165 VanDerWaalsContact O-CB 3.23Å; K161-N165 WeakPolarHBondContact O-CB 3.49Å; K161-N165 PolarHBondContact O-N 2.73Å; K161-N165 PolarHBondContact O-ND2 2.94Å; K161-N165 VanDerWaalsContact O-ND2 3.07Å; K161-D379 WeakPolarHBondContact CE-OD1 3.5Å; K161-D379 VanDerWaalsContact NZ-CG 3.32Å; K161-D379 IonicContact NZ-OD1 3.46Å; K161-D379 PolarHBondContact NZ-OD1 3.17Å; K161-D379 IonicContact NZ-OD2 3.45Å; K161-D379 PolarHBondContact NZ-OD2 3.42Å; K161-I382 HydrophobicContact CG-CD1 4.35Å
162Y94.5Very high86.7Confident3 Ų349.4 Ų49.41%0.01223%0.232CC..Hα-helixtrans-72.8-28.2178.4-60.9-51.4000112.8M159 R160 L166 W168 W371 A378 D379 I382M159-Y162 HydrophobicContact CE-CD2 4.01Å; M159-Y162 HydrophobicContact CE-CE2 4.5Å; M159-Y162 WeakPolarHBondContact O-CB 3.45Å; M159-Y162 PolarHBondContact O-N 2.92Å; M159-Y162 VanDerWaalsContact O-N 3.11Å; M159-Y162 HydrophobicContact SD-CD2 3.68Å; M159-Y162 HydrophobicContact SD-CE2 3.7Å; R160-Y162 PolarHBondContact O-N 2.9Å; R160-Y162 VanDerWaalsContact O-N 3.11Å; Y162-L166 HydrophobicContact CD1-CD1 4.17Å; Y162-L166 WeakPolarHBondContact O-CB 3.46Å; Y162-W168 HydrophobicContact CD1-CZ2 4.04Å; Y162-W168 HydrophobicContact CG-CZ2 4.07Å; Y162-W168 PolarHBondContact O-NE1 2.89Å; Y162-W371 HydrophobicContact CD2-CH2 4.18Å; Y162-W371 HydrophobicContact CD2-CZ2 4.14Å; Y162-W371 HydrophobicContact CE2-CH2 4.3Å; Y162-W371 AromaticContact CE2-CZ2 3.93Å; Y162-W371 HydrophobicContact CE2-CZ2 3.93Å; Y162-A378 HydrophobicContact CD1-CB 4.11Å; Y162-A378 HydrophobicContact CE1-CB 3.98Å; Y162-D379 VanDerWaalsContact CE1-OD1 3.24Å; Y162-D379 WeakPolarHBondContact CE1-OD1 3.43Å; Y162-D379 PolarHBondContact OH-OD1 3.5Å; Y162-I382 HydrophobicContact CD1-CD1 4.03Å; Y162-I382 HydrophobicContact CE1-CD1 4.36Å
163I94Very high87.4Confident0 Ų047.5 Ų47.50%022%0.224CC..Hα-helixtrans-83.5-39.9178.2-54.8-59.2000110.7I93 I113 G114 Y115 L149 F153 R160I93-I163 HydrophobicContact CB-CG2 4.19Å; I93-I163 HydrophobicContact CD1-CG2 4.42Å; I93-I163 HydrophobicContact CG2-CG2 3.98Å; I113-I163 HydrophobicContact CG2-CD1 3.6Å; G114-I163 CarbonylContact C-O 3.36Å; G114-I163 WeakPolarHBondContact CA-O 3.43Å; Y115-I163 PolarHBondContact N-O 3.39Å; L149-I163 HydrophobicContact CB-CD1 4.33Å; L149-I163 HydrophobicContact CD2-CD1 4.29Å; F153-I163 HydrophobicContact CB-CG1 3.75Å; F153-I163 HydrophobicContact CG-CG1 4.37Å; R160-I163 PolarHBondContact O-N 2.81Å
164Y91.9Very high88.5Confident88 Ų8846 Ų4635%0.34522%0.218SC..Hα-helixtrans-85.7-22.4-175.2-74.9-84.6000114.2Y115 N122 R160Y115-Y164 AromaticContact CD1-CD1 3.64Å; Y115-Y164 HydrophobicContact CD1-CD1 3.64Å; Y115-Y164 AromaticContact CD1-CE1 3.41Å; Y115-Y164 HydrophobicContact CD1-CE1 3.41Å; Y115-Y164 VanDerWaalsContact CD1-CE1 3.41Å; Y115-Y164 HydrophobicContact CE1-CD1 4.42Å; Y115-Y164 AromaticContact CE1-CE1 3.92Å; Y115-Y164 HydrophobicContact CE1-CE1 3.92Å; Y115-Y164 HydrophobicContact CG-CD1 4.25Å; Y115-Y164 AromaticContact CG-CE1 3.95Å; Y115-Y164 HydrophobicContact CG-CE1 3.95Å; N122-Y164 PolarHBondContact ND2-O 2.86Å; R160-Y164 HydrophobicContact CB-CD2 4.04Å; R160-Y164 HydrophobicContact CB-CE2 4.25Å; R160-Y164 PolarHBondContact NH2-OH 3.12Å; R160-Y164 VanDerWaalsContact NH2-OH 3.08Å; R160-Y164 VanDerWaalsContact O-CD2 3.3Å; R160-Y164 WeakPolarHBondContact O-CD2 3.37Å; R160-Y164 PolarHBondContact O-N 3.12Å
165N93.6Very high90.2Very high39 Ų3942.8 Ų42.821%0.20920%0.195CC..Hα-helixtrans-109.4-12.3-179.7-61.5-65.6000114.5N122 K161 I382 Q385N122-N165 WeakPolarHBondContact CB-O 3.46Å; K161-N165 VanDerWaalsContact O-CB 3.23Å; K161-N165 WeakPolarHBondContact O-CB 3.49Å; K161-N165 PolarHBondContact O-N 2.73Å; K161-N165 PolarHBondContact O-ND2 2.94Å; K161-N165 VanDerWaalsContact O-ND2 3.07Å; N165-I382 HydrophobicContact CB-CD1 4.22Å; N165-I382 HydrophobicContact CB-CG1 4.14Å; N165-I382 HydrophobicContact CB-CG2 4.23Å; N165-Q385 PolarHBondContact O-OE1 2.88Å
166L96.5Very high91.9Very high0 Ų036.7 Ų36.70%016%0.162CC..EExtended strand (participates in β ladder)trans-128.1155.2179.9-59.1169.4000111.4N123 I125 Y162 W168 A378 V381 I382N123-L166 HydrophobicContact CB-CD2 4.32Å; N123-L166 VanDerWaalsContact O-CA 3.31Å; N123-L166 WeakPolarHBondContact O-CA 3.24Å; I125-L166 HydrophobicContact CD1-CD1 3.76Å; I125-L166 HydrophobicContact CD1-CD2 4.47Å; I125-L166 HydrophobicContact CG1-CD1 4.5Å; Y162-L166 HydrophobicContact CD1-CD1 4.17Å; Y162-L166 WeakPolarHBondContact O-CB 3.46Å; L166-W168 HydrophobicContact CD1-CH2 4.49Å; L166-W168 HydrophobicContact CD1-CZ2 3.72Å; L166-A378 HydrophobicContact CD1-CB 3.8Å; L166-V381 HydrophobicContact CD2-CB 4.17Å; L166-V381 HydrophobicContact CD2-CG1 3.57Å; L166-I382 HydrophobicContact CD1-CD1 3.81Å; L166-I382 HydrophobicContact CD1-CG1 3.81Å; L166-I382 HydrophobicContact CD2-CG1 3.75Å; L166-I382 HydrophobicContact CG-CD1 3.98Å; L166-I382 HydrophobicContact CG-CG1 3.66Å
167T97.5Very high93.4Very high3 Ų328.5 Ų28.52%0.01813%0.132CC..EExtended strand (participates in β ladder)trans-108.4126.5160.1-61.40000109Q112 I113 N120 N123 A124 I125 Y169Q112-T167 HydrophobicContact CG-CG2 3.8Å; I113-T167 CarbonylContact O-C 3.51Å; N120-T167 PolarHBondContact ND2-OG1 3.12Å; N123-T167 PolarHBondContact O-N 2.86Å; A124-T167 CarbonylContact C-O 3.28Å; A124-T167 WeakPolarHBondContact CA-O 3.35Å; A124-T167 WeakPolarHBondContact CB-O 3.3Å; I125-T167 PolarHBondContact N-O 2.76Å; T167-Y169 HydrophobicContact CG2-CD2 4.38Å; T167-Y169 HydrophobicContact CG2-CE1 4.01Å; T167-Y169 HydrophobicContact CG2-CE2 3.83Å
168W98.5Very high94.9Very high0 Ų023.3 Ų23.30%010%0.096CC..EExtended strand (participates in β ladder)trans-100.1130.8175.9-5678.4000108.7Q112 I113 I125 I127 L149 Y162 L166 I170 W371 I374 A378Q112-W168 CarbonylContact C-O 3.59Å; Q112-W168 WeakPolarHBondContact CA-O 3.36Å; I113-W168 HydrophobicContact CB-CB 4.21Å; I113-W168 PolarHBondContact N-O 2.86Å; I113-W168 PolarHBondContact O-N 3Å; I125-W168 HydrophobicContact CB-CE3 4.07Å; I125-W168 HydrophobicContact CB-CZ3 4.35Å; I125-W168 HydrophobicContact CD1-CE3 4.4Å; I125-W168 HydrophobicContact CD1-CH2 3.98Å; I125-W168 HydrophobicContact CD1-CZ2 4.35Å; I125-W168 HydrophobicContact CD1-CZ3 3.98Å; I125-W168 HydrophobicContact CG2-CE3 4.14Å; I125-W168 HydrophobicContact CG2-CZ3 4.14Å; I125-W168 WeakPolarHBondContact O-CA 3.16Å; I127-W168 HydrophobicContact CD1-CE3 4Å; I127-W168 HydrophobicContact CD1-CZ3 3.99Å; L149-W168 HydrophobicContact CD1-CB 4.17Å; L149-W168 HydrophobicContact CD1-CD2 3.76Å; L149-W168 HydrophobicContact CD1-CE3 4.11Å; L149-W168 HydrophobicContact CD1-CG 3.77Å; L149-W168 HydrophobicContact CD2-CD2 4.21Å; L149-W168 HydrophobicContact CD2-CZ2 3.98Å; Y162-W168 HydrophobicContact CD1-CZ2 4.04Å; Y162-W168 HydrophobicContact CG-CZ2 4.07Å; Y162-W168 PolarHBondContact O-NE1 2.89Å; L166-W168 HydrophobicContact CD1-CH2 4.49Å; L166-W168 HydrophobicContact CD1-CZ2 3.72Å; W168-I170 HydrophobicContact CB-CD1 4.26Å; W168-I170 HydrophobicContact CB-CG1 4.25Å; W168-W371 HydrophobicContact CH2-CH2 4.13Å; W168-W371 AromaticContact CH2-CZ3 4Å; W168-W371 HydrophobicContact CH2-CZ3 4Å; W168-W371 HydrophobicContact CZ2-CH2 4.43Å; W168-W371 HydrophobicContact CZ3-CZ3 4.33Å; W168-I374 HydrophobicContact CZ3-CG2 4.11Å; W168-A378 HydrophobicContact CH2-CB 3.43Å; W168-A378 VanDerWaalsContact CH2-CB 3.43Å; W168-A378 HydrophobicContact CZ2-CB 3.83Å; W168-A378 HydrophobicContact CZ3-CB 4.41Å
169Y98.8Very high95.7Very high9 Ų916.6 Ų16.64%0.0357%0.07CC..EExtended strand (participates in β ladder)trans-115.4110.2168.2-66-63.7000107.4T110 I111 Q112 A124 I125 W126 I127 T167 F254 K258 I262T110-Y169 HydrophobicContact CG2-CD1 4.38Å; I111-Y169 WeakPolarHBondContact O-CA 3.45Å; Q112-Y169 HydrophobicContact CB-CD1 3.92Å; Q112-Y169 HydrophobicContact CB-CE1 3.76Å; Q112-Y169 HydrophobicContact CG-CD1 4.1Å; Q112-Y169 HydrophobicContact CG-CE1 3.57Å; A124-Y169 HydrophobicContact CB-CD2 3.93Å; A124-Y169 HydrophobicContact CB-CE2 3.74Å; I125-Y169 PolarHBondContact O-N 2.65Å; W126-Y169 CarbonylContact C-O 3.53Å; W126-Y169 WeakPolarHBondContact CA-O 3.41Å; I127-Y169 PolarHBondContact N-O 2.86Å; T167-Y169 HydrophobicContact CG2-CD2 4.38Å; T167-Y169 HydrophobicContact CG2-CE1 4.01Å; T167-Y169 HydrophobicContact CG2-CE2 3.83Å; Y169-F254 AromaticContact CD1-CE1 3.68Å; Y169-F254 HydrophobicContact CD1-CE1 3.68Å; Y169-F254 AromaticContact CD1-CZ 3.6Å; Y169-F254 HydrophobicContact CD1-CZ 3.6Å; Y169-F254 HydrophobicContact CD2-CE1 4.05Å; Y169-F254 HydrophobicContact CE1-CE1 4.06Å; Y169-F254 AromaticContact CE1-CZ 3.72Å; Y169-F254 HydrophobicContact CE1-CZ 3.72Å; Y169-F254 HydrophobicContact CE2-CE1 4.39Å; Y169-F254 AromaticContact CG-CE1 3.68Å; Y169-F254 HydrophobicContact CG-CE1 3.68Å; Y169-F254 HydrophobicContact CG-CZ 4.11Å; Y169-K258 HydrophobicContact CE2-CG 4.4Å; Y169-K258 PolarHBondContact OH-NZ 3.43Å; Y169-I262 HydrophobicContact CD2-CG1 4.45Å
170I98.9Very high96.1Very high0 Ų017 Ų170%07%0.072CC..EExtended strand (participates in β ladder)trans-120.6121.3-173.5-51.5176.8000109.8T110 I111 I113 I127 A142 I145 I146 L149 W168 P172T110-I170 CarbonylContact C-O 3.59Å; T110-I170 WeakPolarHBondContact CA-O 3.07Å; I111-I170 HydrophobicContact CG2-CB 4.02Å; I111-I170 PolarHBondContact N-O 3.42Å; I111-I170 PolarHBondContact O-N 3.26Å; I113-I170 HydrophobicContact CD1-CD1 4.47Å; I127-I170 HydrophobicContact CB-CG1 4.24Å; I127-I170 HydrophobicContact CB-CG2 4.28Å; I127-I170 HydrophobicContact CD1-CD1 4.5Å; I127-I170 HydrophobicContact CD1-CG1 4.43Å; I127-I170 HydrophobicContact CG2-CG2 4.46Å; I127-I170 CarbonylContact O-C 3.43Å; I127-I170 VanDerWaalsContact O-CA 3.26Å; I127-I170 WeakPolarHBondContact O-CA 3.05Å; A142-I170 HydrophobicContact CB-CG2 4.22Å; I145-I170 HydrophobicContact CG2-CD1 3.75Å; I146-I170 HydrophobicContact CD1-CB 4.09Å; I146-I170 HydrophobicContact CD1-CG2 3.76Å; I146-I170 HydrophobicContact CG1-CB 4.03Å; I146-I170 HydrophobicContact CG1-CD1 3.69Å; I146-I170 HydrophobicContact CG1-CG1 4.44Å; I146-I170 HydrophobicContact CG1-CG2 3.91Å; L149-I170 HydrophobicContact CD1-CD1 3.76Å; W168-I170 HydrophobicContact CB-CD1 4.26Å; W168-I170 HydrophobicContact CB-CG1 4.25Å; I170-P172 HydrophobicContact CG2-CG 4.43Å; I170-P172 WeakPolarHBondContact O-CD 3.4Å
171T98.8Very high96.4Very high0 Ų014.7 Ų14.70%06%0.064CC..EExtended strand (participates in β ladder)trans-111.593.6177.5-55.70000108.9I108 T110 W126 I127 D128 A129 V173 A174I108-T171 HydrophobicContact CG2-CG2 3.99Å; T110-T171 PolarHBondContact OG1-OG1 2.96Å; W126-T171 WeakPolarHBondContact CH2-OG1 3.42Å; W126-T171 WeakPolarHBondContact CZ2-OG1 3.47Å; I127-T171 PolarHBondContact O-N 3.15Å; D128-T171 WeakPolarHBondContact CA-O 3.29Å; A129-T171 PolarHBondContact N-O 3.27Å; T171-V173 VanDerWaalsContact C-N 3.29Å; T171-V173 PolarHBondContact O-N 3.48Å; T171-A174 HydrophobicContact CG2-CB 4.48Å
172P97.7Very high96.5Very high1 Ų111.8 Ų11.81%0.0065%0.051CC..SBendtrans-73.5-19-171.6-17.331.6000114.5I79 L83 A129 Q139 A142 V143 I146 I170I79-P172 HydrophobicContact CG2-CB 4.03Å; I79-P172 HydrophobicContact CG2-CG 4.28Å; L83-P172 HydrophobicContact CD1-CG 4.26Å; L83-P172 HydrophobicContact CD2-CG 4.2Å; A129-P172 CarbonylContact O-C 3.56Å; Q139-P172 WeakPolarHBondContact CA-O 3.44Å; Q139-P172 WeakPolarHBondContact CB-O 3.27Å; Q139-P172 WeakPolarHBondContact CG-O 3.39Å; A142-P172 HydrophobicContact CB-CB 3.98Å; V143-P172 HydrophobicContact CG2-CB 3.71Å; V143-P172 HydrophobicContact CG2-CG 4.23Å; I146-P172 HydrophobicContact CD1-CG 3.58Å; I170-P172 HydrophobicContact CG2-CG 4.43Å; I170-P172 WeakPolarHBondContact O-CD 3.4Å
173V97.6Very high96.4Very high9 Ų911.7 Ų11.76%0.0555%0.051CC..  trans-137.686.9-179.8-168.90000108.7I79 Q139 T171 N175 P176 Y179I79-V173 HydrophobicContact CB-CG2 4.44Å; I79-V173 HydrophobicContact CD1-CG2 3.53Å; I79-V173 HydrophobicContact CG2-CG2 4.15Å; Q139-V173 HydrophobicContact CG-CG2 4.21Å; T171-V173 VanDerWaalsContact C-N 3.29Å; T171-V173 PolarHBondContact O-N 3.48Å; V173-N175 VanDerWaalsContact C-N 3.31Å; V173-P176 HydrophobicContact CG1-CB 4.21Å; V173-Y179 HydrophobicContact CG1-CD1 3.95Å; V173-Y179 HydrophobicContact CG1-CG 4.08Å; V173-Y179 HydrophobicContact CG2-CD1 4.37Å
174A98.6Very high96.2Very high0 Ų014.7 Ų14.70%07%0.072CC..SBendtrans-69.7-28.5177.500000112.7A129 M131 T171 P176 I251A129-A174 WeakPolarHBondContact O-CB 3.44Å; A129-A174 PolarHBondContact O-N 2.93Å; M131-A174 HydrophobicContact CB-CB 4.16Å; T171-A174 HydrophobicContact CG2-CB 4.48Å; A174-P176 WeakPolarHBondContact O-CD 3.14Å; A174-I251 HydrophobicContact CB-CD1 3.96Å
175N98.6Very high96.2Very high0 Ų012 Ų120%07%0.065CC..  trans-11876.4178.2-177.20.8000111.2G130 M131 V173 D177 G178 Y179 K195 N196 L215G130-N175 WeakPolarHBondContact O-CB 3.43Å; G130-N175 PolarHBondContact O-N 3.44Å; G130-N175 VanDerWaalsContact O-N 3.12Å; M131-N175 WeakPolarHBondContact O-CB 3.08Å; M131-N175 PolarHBondContact O-ND2 3.25Å; V173-N175 VanDerWaalsContact C-N 3.31Å; N175-D177 PolarHBondContact O-N 3.38Å; N175-G178 WeakPolarHBondContact OD1-CA 3.31Å; N175-G178 PolarHBondContact OD1-N 2.94Å; N175-Y179 VanDerWaalsContact O-CB 3.3Å; N175-Y179 WeakPolarHBondContact O-CB 3.24Å; N175-Y179 PolarHBondContact O-N 3.05Å; N175-K195 VanDerWaalsContact ND2-C 3.29Å; N175-K195 PolarHBondContact ND2-O 3.24Å; N175-N196 WeakPolarHBondContact ND2-CA 3.22Å; N175-N196 PolarHBondContact ND2-N 2.97Å; N175-N196 WeakPolarHBondContact OD1-CA 3.47Å; N175-N196 WeakPolarHBondContact OD1-CB 3.11Å; N175-L215 HydrophobicContact CB-CD1 3.73Å
176P97.3Very high96.2Very high1 Ų111.4 Ų11.41%0.0066%0.063CC..Hα-helixtrans-65.5-35.7-174.426.8-35.4000113.1T76 R106 I108 V173 A174 Y179 E180T76-P176 HydrophobicContact CG2-CB 3.9Å; R106-P176 HydrophobicContact CB-CB 4.05Å; R106-P176 HydrophobicContact CB-CG 4.12Å; I108-P176 HydrophobicContact CG1-CG 4.11Å; V173-P176 HydrophobicContact CG1-CB 4.21Å; A174-P176 WeakPolarHBondContact O-CD 3.14Å; P176-Y179 PolarHBondContact O-N 3.34Å; P176-E180 PolarHBondContact O-N 3.41Å
177D97.2Very high96Very high0 Ų016.8 Ų16.80%09%0.087CC..Hα-helixtrans-71.5-44.3-179.4-60.5-11.5000111.9S102 H103 E104 R106 N175 Y179 E180 Y181 R197S102-D177 VanDerWaalsContact CB-OD1 3.26Å; S102-D177 WeakPolarHBondContact CB-OD1 3.36Å; S102-D177 WeakPolarHBondContact CB-OD2 3.35Å; S102-D177 PolarHBondContact OG-OD1 3.15Å; S102-D177 PolarHBondContact OG-OD2 3.05Å; S102-D177 VanDerWaalsContact OG-OD2 3.08Å; H103-D177 PolarHBondContact N-OD2 2.81Å; E104-D177 WeakPolarHBondContact CB-OD2 3.46Å; E104-D177 HydrophobicContact CG-CB 4.37Å; E104-D177 PolarHBondContact N-OD2 2.63Å; R106-D177 IonicContact CZ-OD1 2.73Å; R106-D177 IonicContact NH1-OD1 2.69Å; R106-D177 PolarHBondContact NH1-OD1 2.99Å; N175-D177 PolarHBondContact O-N 3.38Å; D177-Y179 VanDerWaalsContact C-N 3.29Å; D177-Y179 PolarHBondContact O-N 2.87Å; D177-E180 PolarHBondContact O-N 3.38Å; D177-Y181 WeakPolarHBondContact O-CB 3.22Å; D177-Y181 PolarHBondContact O-N 3.42Å; D177-R197 HydrophobicContact CB-CB 3.64Å; D177-R197 HydrophobicContact CB-CG 3.6Å; D177-R197 WeakPolarHBondContact O-CG 3.34Å
178G97.4Very high95.9Very high0 Ų017.7 Ų17.70%09%0.093CC..Hα-helixtrans-61.3-43.3174.100000110.4A133 N175 Y181 T182A133-G178 VanDerWaalsContact CB-O 3.26Å; A133-G178 WeakPolarHBondContact CB-O 3.47Å; N175-G178 WeakPolarHBondContact OD1-CA 3.31Å; N175-G178 PolarHBondContact OD1-N 2.94Å; G178-Y181 WeakPolarHBondContact O-CB 3.3Å; G178-Y181 PolarHBondContact O-N 2.7Å; G178-T182 WeakPolarHBondContact O-CG2 3.28Å; G178-T182 PolarHBondContact O-N 3.36Å
179Y96Very high95.6Very high14 Ų1422.4 Ų22.46%0.05512%0.118CC..Hα-helixtrans-60.4-50.6178.6-173.2-123.3000111.5I79 W136 Q139 V173 N175 P176 D177 Y181 T182 R183I79-Y179 HydrophobicContact CD1-CE1 3.95Å; W136-Y179 AromaticContact CD1-CD2 3.92Å; W136-Y179 AromaticContact CD1-CE2 3.54Å; W136-Y179 HydrophobicContact CG-CE2 4.12Å; W136-Y179 AromaticContact NE1-CD2 3.85Å; W136-Y179 AromaticContact NE1-CE2 3.64Å; Q139-Y179 HydrophobicContact CG-CD2 4.41Å; Q139-Y179 HydrophobicContact CG-CE2 4.25Å; Q139-Y179 VanDerWaalsContact NE2-CD2 3.35Å; V173-Y179 HydrophobicContact CG1-CD1 3.95Å; V173-Y179 HydrophobicContact CG1-CG 4.08Å; V173-Y179 HydrophobicContact CG2-CD1 4.37Å; N175-Y179 VanDerWaalsContact O-CB 3.3Å; N175-Y179 WeakPolarHBondContact O-CB 3.24Å; N175-Y179 PolarHBondContact O-N 3.05Å; P176-Y179 PolarHBondContact O-N 3.34Å; D177-Y179 VanDerWaalsContact C-N 3.29Å; D177-Y179 PolarHBondContact O-N 2.87Å; Y179-Y181 VanDerWaalsContact C-N 3.26Å; Y179-Y181 PolarHBondContact O-N 3.5Å; Y179-T182 PolarHBondContact O-N 3.31Å; Y179-T182 PolarHBondContact O-OG1 3.13Å; Y179-R183 HydrophobicContact CD2-CG 4.4Å; Y179-R183 HydrophobicContact CE2-CG 4.21Å; Y179-R183 WeakPolarHBondContact O-CG 3.29Å; Y179-R183 PolarHBondContact O-N 3.44Å; Y179-R183 VanDerWaalsContact O-N 3.1Å
180E94Very high95.5Very high23 Ų2322.5 Ų22.511%0.10712%0.12CC..Hα-helixtrans-56-41.3173.5-76-53.3132.500112.6E74 S75 T76 P176 D177 R183 S184E74-E180 WeakPolarHBondContact CA-OE2 3.27Å; E74-E180 PolarHBondContact N-OE2 2.54Å; S75-E180 PolarHBondContact N-OE1 2.74Å; S75-E180 PolarHBondContact N-OE2 3.47Å; T76-E180 WeakPolarHBondContact CA-OE1 3.25Å; T76-E180 WeakPolarHBondContact CB-OE1 3.49Å; T76-E180 PolarHBondContact N-OE1 2.84Å; T76-E180 PolarHBondContact OG1-OE1 2.74Å; P176-E180 PolarHBondContact O-N 3.41Å; D177-E180 PolarHBondContact O-N 3.38Å; E180-R183 CarbonylContact O-C 3.15Å; E180-R183 VanDerWaalsContact O-C 3.31Å; E180-R183 WeakPolarHBondContact O-CA 3.26Å; E180-R183 WeakPolarHBondContact O-CB 3.34Å; E180-R183 PolarHBondContact O-N 3.29Å; E180-S184 PolarHBondContact O-N 3.26Å; E180-S184 VanDerWaalsContact O-N 3.13Å
181Y95.2Very high95.2Very high58 Ų5822.5 Ų22.523%0.22712%0.12CC..Hα-helixtrans-62.6-46.2178.3-175-108.8000111.8D177 G178 Y179 R183 S184 V190 W193D177-Y181 WeakPolarHBondContact O-CB 3.22Å; D177-Y181 PolarHBondContact O-N 3.42Å; G178-Y181 WeakPolarHBondContact O-CB 3.3Å; G178-Y181 PolarHBondContact O-N 2.7Å; Y179-Y181 VanDerWaalsContact C-N 3.26Å; Y179-Y181 PolarHBondContact O-N 3.5Å; Y181-R183 PolarHBondContact O-N 3.42Å; Y181-R183 VanDerWaalsContact O-N 3.11Å; Y181-S184 PolarHBondContact O-N 3.22Å; Y181-S184 PolarHBondContact O-OG 3.1Å; Y181-V190 HydrophobicContact CD1-CG1 4.3Å; Y181-V190 HydrophobicContact CD2-CG1 4.49Å; Y181-V190 HydrophobicContact CE1-CB 4.4Å; Y181-V190 HydrophobicContact CE1-CG1 4.11Å; Y181-V190 HydrophobicContact CE1-CG2 4.49Å; Y181-V190 HydrophobicContact CE2-CG1 4.28Å; Y181-V190 WeakPolarHBondContact O-CG1 3.39Å; Y181-W193 HydrophobicContact CD1-CB 3.58Å; Y181-W193 AromaticContact CD1-CD1 3.82Å; Y181-W193 AromaticContact CD1-CD2 3.86Å; Y181-W193 HydrophobicContact CD1-CD2 3.86Å; Y181-W193 HydrophobicContact CD1-CE3 4.41Å; Y181-W193 AromaticContact CD1-CG 3.45Å; Y181-W193 HydrophobicContact CD1-CG 3.45Å; Y181-W193 VanDerWaalsContact CD1-CG 3.45Å; Y181-W193 HydrophobicContact CE1-CB 3.81Å; Y181-W193 AromaticContact CE1-CD2 3.67Å; Y181-W193 HydrophobicContact CE1-CD2 3.67Å; Y181-W193 AromaticContact CE1-CE3 3.76Å; Y181-W193 HydrophobicContact CE1-CE3 3.76Å; Y181-W193 AromaticContact CE1-CG 3.7Å; Y181-W193 HydrophobicContact CE1-CG 3.7Å
182T94.8Very high95.1Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-60.8-25174.862.50000113A133 W136 G178 Y179 V190 R191 W193A133-T182 HydrophobicContact CB-CG2 3.61Å; W136-T182 WeakPolarHBondContact CZ2-O 3.24Å; W136-T182 PolarHBondContact NE1-OG1 3.4Å; G178-T182 WeakPolarHBondContact O-CG2 3.28Å; G178-T182 PolarHBondContact O-N 3.36Å; Y179-T182 PolarHBondContact O-N 3.31Å; Y179-T182 PolarHBondContact O-OG1 3.13Å; T182-V190 WeakPolarHBondContact CA-O 3.47Å; T182-R191 WeakPolarHBondContact CB-O 3.34Å; T182-R191 WeakPolarHBondContact CG2-O 3.42Å; T182-W193 HydrophobicContact CG2-CB 3.86Å; T182-W193 VanDerWaalsContact CG2-O 3.3Å; T182-W193 WeakPolarHBondContact CG2-O 3.27Å
183R90.7Very high95.1Very high1 Ų126 Ų260%0.00414%0.135CC..THydrogen-bonded Turntrans-91.68178.7-62-67.8-59.214712.1112.8Y69 H70 N71 Y72 S75 W136 Y179 E180 Y181Y69-R183 VanDerWaalsContact CB-NH1 3.34Å; Y69-R183 PolarHBondContact O-NH2 3.17Å; H70-R183 PolarHBondContact O-NH2 2.88Å; N71-R183 PolarHBondContact O-NH2 3.3Å; Y72-R183 CarbonylContact C-O 3.58Å; Y72-R183 WeakPolarHBondContact CA-O 3.25Å; Y72-R183 VanDerWaalsContact CB-O 3.23Å; Y72-R183 WeakPolarHBondContact CB-O 3.33Å; Y72-R183 VanDerWaalsContact CD1-C 3.42Å; Y72-R183 WeakPolarHBondContact CD1-O 3.08Å; S75-R183 WeakPolarHBondContact OG-CG 3.3Å; S75-R183 PolarHBondContact OG-NE 3.33Å; W136-R183 VanDerWaalsContact CH2-CD 3.48Å; W136-R183 HydrophobicContact CZ2-CG 3.98Å; Y179-R183 HydrophobicContact CD2-CG 4.4Å; Y179-R183 HydrophobicContact CE2-CG 4.21Å; Y179-R183 WeakPolarHBondContact O-CG 3.29Å; Y179-R183 PolarHBondContact O-N 3.44Å; Y179-R183 VanDerWaalsContact O-N 3.1Å; E180-R183 CarbonylContact O-C 3.15Å; E180-R183 VanDerWaalsContact O-C 3.31Å; E180-R183 WeakPolarHBondContact O-CA 3.26Å; E180-R183 WeakPolarHBondContact O-CB 3.34Å; E180-R183 PolarHBondContact O-N 3.29Å; Y181-R183 PolarHBondContact O-N 3.42Å; Y181-R183 VanDerWaalsContact O-N 3.11Å
184S91.6Very high95.1Very high63 Ų6326.7 Ų26.744%0.44114%0.136SC..SBendtrans-100.3-11.7-178.874.50000114.6E180 Y181E180-S184 PolarHBondContact O-N 3.26Å; E180-S184 VanDerWaalsContact O-N 3.13Å; Y181-S184 PolarHBondContact O-N 3.22Å; Y181-S184 PolarHBondContact O-OG 3.1Å
185S91.8Very high95.1Very high30 Ų3026.9 Ų26.921%0.2114%0.137CC..  trans-158.6152.5175.8-169.10000112.8Y72 K187Y72-S185 VanDerWaalsContact CD1-N 3.32Å; Y72-S185 WeakPolarHBondContact CE1-O 3.32Å; S185-K187 WeakPolarHBondContact OG-CG 3.48Å; S185-K187 PolarHBondContact OG-N 2.76Å
186T91.8Very high95.1Very high27 Ų2726.9 Ų26.917%0.16614%0.137CC..SBendtrans-76.5-7.9168.751.20000113.1I37 E38 V42 Y72I37-T186 HydrophobicContact CG2-CG2 4.18Å; E38-T186 HydrophobicContact CG-CG2 3.93Å; E38-T186 PolarHBondContact OE1-OG1 2.77Å; V42-T186 HydrophobicContact CG2-CG2 3.72Å; Y72-T186 HydrophobicContact CE1-CG2 4.23Å; Y72-T186 HydrophobicContact CE2-CG2 3.98Å; Y72-T186 WeakPolarHBondContact OH-CG2 3.41Å
187K93.9Very high95.1Very high114 Ų11428.1 Ų28.150%0.49614%0.141SC..SBendtrans-59.9132.2178.3-70.1-177.8177.9-178.90110.5S185 D189 V190 R191S185-K187 WeakPolarHBondContact OG-CG 3.48Å; S185-K187 PolarHBondContact OG-N 2.76Å; K187-D189 VanDerWaalsContact C-N 3.31Å; K187-D189 VanDerWaalsContact CB-OD1 3.28Å; K187-D189 WeakPolarHBondContact CB-OD1 3.09Å; K187-D189 PolarHBondContact O-N 3.1Å; K187-V190 HydrophobicContact CB-CB 4.47Å; K187-V190 HydrophobicContact CB-CG2 4.27Å; K187-V190 PolarHBondContact O-N 2.97Å; K187-R191 PolarHBondContact O-N 2.94Å
188P94.5Very high95.1Very high22 Ų2228.3 Ų28.314%0.14314%0.143CC..Hα-helixtrans-56.4-38.8-174.5-28.835000114.8M6 V33 Q34 I37 V190 L192M6-P188 HydrophobicContact CE-CB 4.13Å; M6-P188 HydrophobicContact SD-CB 3.63Å; V33-P188 HydrophobicContact CB-CB 4.31Å; V33-P188 HydrophobicContact CB-CG 4.01Å; V33-P188 HydrophobicContact CG1-CB 3.88Å; V33-P188 HydrophobicContact CG1-CG 3.96Å; Q34-P188 HydrophobicContact CB-CG 3.9Å; I37-P188 HydrophobicContact CD1-CB 4.24Å; I37-P188 HydrophobicContact CD1-CG 4.12Å; P188-V190 PolarHBondContact O-N 3.42Å; P188-L192 HydrophobicContact CB-CD1 4.43Å; P188-L192 WeakPolarHBondContact O-CB 3.31Å; P188-L192 WeakPolarHBondContact O-CG 3.36Å; P188-L192 PolarHBondContact O-N 2.75Å
189D93.2Very high95.1Very high98 Ų9832 Ų3252%0.52417%0.167SC..Hα-helixtrans-65.2-26.7178.362.5-52.8000113.4K187K187-D189 VanDerWaalsContact C-N 3.31Å; K187-D189 VanDerWaalsContact CB-OD1 3.28Å; K187-D189 WeakPolarHBondContact CB-OD1 3.09Å; K187-D189 PolarHBondContact O-N 3.1Å
190V95.1Very high95.1Very high12 Ų1234.9 Ų34.97%0.07319%0.186CC..Hα-helixtrans-87.2-54.3176.1178.40000110.3Y181 T182 K187 P188 L192 W193Y181-V190 HydrophobicContact CD1-CG1 4.3Å; Y181-V190 HydrophobicContact CD2-CG1 4.49Å; Y181-V190 HydrophobicContact CE1-CB 4.4Å; Y181-V190 HydrophobicContact CE1-CG1 4.11Å; Y181-V190 HydrophobicContact CE1-CG2 4.49Å; Y181-V190 HydrophobicContact CE2-CG1 4.28Å; Y181-V190 WeakPolarHBondContact O-CG1 3.39Å; T182-V190 WeakPolarHBondContact CA-O 3.47Å; K187-V190 HydrophobicContact CB-CB 4.47Å; K187-V190 HydrophobicContact CB-CG2 4.27Å; K187-V190 PolarHBondContact O-N 2.97Å; P188-V190 PolarHBondContact O-N 3.42Å; V190-L192 VanDerWaalsContact C-N 3.3Å; V190-L192 PolarHBondContact O-N 3.36Å; V190-W193 WeakPolarHBondContact O-CB 3.26Å; V190-W193 PolarHBondContact O-N 2.96Å; V190-W193 VanDerWaalsContact O-N 3.13Å
191R94.3Very high95.1Very high0 Ų035.2 Ų35.20%019%0.188CC..Hα-helixtrans-61.4-36-176.7170.756.4-173.789.60.3113.1I37 E41 R134 W136 T182 K187 W193 F356I37-R191 HydrophobicContact CD1-CB 3.94Å; I37-R191 HydrophobicContact CD1-CG 3.79Å; I37-R191 HydrophobicContact CG1-CG 4.13Å; I37-R191 HydrophobicContact CG2-CG 4.13Å; E41-R191 IonicContact OE1-CZ 3.68Å; E41-R191 IonicContact OE1-NE 2.85Å; E41-R191 PolarHBondContact OE1-NE 3.16Å; E41-R191 IonicContact OE1-NH2 3.57Å; E41-R191 PolarHBondContact OE1-NH2 3.23Å; E41-R191 WeakPolarHBondContact OE2-CD 3.45Å; E41-R191 IonicContact OE2-CZ 3.96Å; E41-R191 IonicContact OE2-NE 3.95Å; E41-R191 PolarHBondContact OE2-NE 3.03Å; E41-R191 IonicContact OE2-NH2 3.16Å; R134-R191 PolarHBondContact O-NH1 3.39Å; W136-R191 VanDerWaalsContact CD2-CZ 3.45Å; W136-R191 VanDerWaalsContact CE2-CZ 3.41Å; W136-R191 VanDerWaalsContact CZ3-NE 3.31Å; T182-R191 WeakPolarHBondContact CB-O 3.34Å; T182-R191 WeakPolarHBondContact CG2-O 3.42Å; K187-R191 PolarHBondContact O-N 2.94Å; R191-W193 VanDerWaalsContact C-N 3.31Å; R191-F356 PolarHBondContact NH2-O 3.43Å; R191-F356 VanDerWaalsContact NH2-O 3.14Å
192L95.6Very high94.9Very high27 Ų2736 Ų3614%0.14120%0.201CC..THydrogen-bonded Turntrans-94.616.9-179.1-56.8174.1000112.8M6 V33 R134 P188 V190 R194 F356 I357M6-L192 HydrophobicContact CE-CD1 4.23Å; M6-L192 HydrophobicContact SD-CD1 3.57Å; M6-L192 VanDerWaalsContact SD-CD1 3.57Å; V33-L192 HydrophobicContact CG1-CD1 3.98Å; R134-L192 WeakPolarHBondContact CD-O 3.24Å; R134-L192 PolarHBondContact NH1-O 3.28Å; P188-L192 HydrophobicContact CB-CD1 4.43Å; P188-L192 WeakPolarHBondContact O-CB 3.31Å; P188-L192 WeakPolarHBondContact O-CG 3.36Å; P188-L192 PolarHBondContact O-N 2.75Å; V190-L192 VanDerWaalsContact C-N 3.3Å; V190-L192 PolarHBondContact O-N 3.36Å; L192-R194 PolarHBondContact O-N 2.66Å; L192-F356 HydrophobicContact CD2-CB 4.03Å; L192-F356 HydrophobicContact CD2-CD2 4.37Å; L192-I357 HydrophobicContact CD2-CG1 4.19Å
193W97.4Very high94.5Very high47 Ų4741.2 Ų41.218%0.17822%0.221CC..  trans-61130.5172.5-171.4-95.3000111.3A133 R134 Y181 T182 V190 R191 K195 N196 R197 K211A133-W193 WeakPolarHBondContact CB-O 3.46Å; R134-W193 WeakPolarHBondContact CB-O 3.21Å; R134-W193 PolarHBondContact N-O 3.22Å; Y181-W193 HydrophobicContact CD1-CB 3.58Å; Y181-W193 AromaticContact CD1-CD1 3.82Å; Y181-W193 AromaticContact CD1-CD2 3.86Å; Y181-W193 HydrophobicContact CD1-CD2 3.86Å; Y181-W193 HydrophobicContact CD1-CE3 4.41Å; Y181-W193 AromaticContact CD1-CG 3.45Å; Y181-W193 HydrophobicContact CD1-CG 3.45Å; Y181-W193 VanDerWaalsContact CD1-CG 3.45Å; Y181-W193 HydrophobicContact CE1-CB 3.81Å; Y181-W193 AromaticContact CE1-CD2 3.67Å; Y181-W193 HydrophobicContact CE1-CD2 3.67Å; Y181-W193 AromaticContact CE1-CE3 3.76Å; Y181-W193 HydrophobicContact CE1-CE3 3.76Å; Y181-W193 AromaticContact CE1-CG 3.7Å; Y181-W193 HydrophobicContact CE1-CG 3.7Å; T182-W193 HydrophobicContact CG2-CB 3.86Å; T182-W193 VanDerWaalsContact CG2-O 3.3Å; T182-W193 WeakPolarHBondContact CG2-O 3.27Å; V190-W193 WeakPolarHBondContact O-CB 3.26Å; V190-W193 PolarHBondContact O-N 2.96Å; V190-W193 VanDerWaalsContact O-N 3.13Å; R191-W193 VanDerWaalsContact C-N 3.31Å; W193-K195 HydrophobicContact CZ2-CB 4.23Å; W193-K195 PolarHBondContact NE1-O 2.94Å; W193-N196 PolarHBondContact NE1-O 2.77Å; W193-N196 VanDerWaalsContact NE1-O 3.07Å; W193-R197 VanDerWaalsContact CE2-NH1 3.33Å; W193-K211 HydrophobicContact CH2-CB 4.48Å; W193-K211 WeakPolarHBondContact CH2-O 3.33Å; W193-K211 HydrophobicContact CZ2-CB 4.44Å; W193-K211 WeakPolarHBondContact CZ2-O 3.44Å
194R98.1Very high94.1Very high23 Ų2344.5 Ų44.59%0.08726%0.255CS..  trans-97.4-51-177178.7-175.7169.285.9-6.9112.6H132 A133 E135 L192 D214H132-R194 WeakPolarHBondContact CA-O 3.48Å; H132-R194 HydrophobicContact CB-CG 3.92Å; H132-R194 PolarHBondContact CE1-NH1 2.9Å; H132-R194 PolarHBondContact CE1-NH2 2.95Å; H132-R194 PolarHBondContact ND1-NH1 3.26Å; H132-R194 PolarHBondContact NE2-NH2 2.95Å; A133-R194 PolarHBondContact N-O 3.33Å; E135-R194 IonicContact OE1-NH1 3.32Å; L192-R194 PolarHBondContact O-N 2.66Å; R194-D214 IonicContact CZ-OD2 3.85Å; R194-D214 IonicContact NE-OD1 3.84Å; R194-D214 IonicContact NE-OD2 2.8Å; R194-D214 PolarHBondContact NE-OD2 3.41Å; R194-D214 IonicContact NH2-OD1 3.92Å; R194-D214 IonicContact NH2-OD2 3.6Å; R194-D214 PolarHBondContact NH2-OD2 3.43Å
195K98.5Very high93.4Very high4 Ų451.8 Ų51.82%0.01728%0.279CS..SBendtrans-70174.6-166.4-63.8-166-64177.70112.7N175 W193 K211 G212 V213 P232 E234N175-K195 VanDerWaalsContact ND2-C 3.29Å; N175-K195 PolarHBondContact ND2-O 3.24Å; W193-K195 HydrophobicContact CZ2-CB 4.23Å; W193-K195 PolarHBondContact NE1-O 2.94Å; K195-K211 VanDerWaalsContact CE-O 3.25Å; K195-K211 WeakPolarHBondContact CE-O 3.32Å; K195-K211 PolarHBondContact NZ-O 2.99Å; K195-G212 WeakPolarHBondContact CD-O 3.31Å; K195-G212 WeakPolarHBondContact CE-O 3.33Å; K195-G212 PolarHBondContact NZ-O 3.41Å; K195-V213 WeakPolarHBondContact CA-O 3.32Å; K195-V213 VanDerWaalsContact CB-O 3.31Å; K195-V213 WeakPolarHBondContact CB-O 3.29Å; K195-P232 PolarHBondContact NZ-O 3.46Å; K195-E234 PolarHBondContact NZ-O 3.33Å; K195-E234 VanDerWaalsContact NZ-O 3.11Å
196N98.5Very high92.8Very high0 Ų053 Ų530%029%0.285CS..  trans-70.1-169.3163.276.9-6.1000111.1N175 W193 S198 G212 V213 L215 E245 E247N175-N196 WeakPolarHBondContact ND2-CA 3.22Å; N175-N196 PolarHBondContact ND2-N 2.97Å; N175-N196 WeakPolarHBondContact OD1-CA 3.47Å; N175-N196 WeakPolarHBondContact OD1-CB 3.11Å; W193-N196 PolarHBondContact NE1-O 2.77Å; W193-N196 VanDerWaalsContact NE1-O 3.07Å; N196-S198 WeakPolarHBondContact OD1-CB 3.28Å; N196-S198 PolarHBondContact OD1-N 2.95Å; N196-S198 VanDerWaalsContact OD1-N 3.17Å; N196-G212 WeakPolarHBondContact O-CA 3.2Å; N196-G212 VanDerWaalsContact OD1-CA 3.26Å; N196-G212 WeakPolarHBondContact OD1-CA 3.3Å; N196-V213 PolarHBondContact N-O 2.9Å; N196-V213 PolarHBondContact OD1-N 3.11Å; N196-V213 PolarHBondContact OD1-O 2.99Å; N196-L215 HydrophobicContact CB-CD1 4.27Å; N196-L215 HydrophobicContact CB-CD2 4.19Å; N196-L215 HydrophobicContact CB-CG 4.17Å; N196-E245 PolarHBondContact ND2-OE2 3.38Å; N196-E247 PolarHBondContact ND2-OE2 3.16Å
197R98Very high92.4Very high27 Ų2759.3 Ų59.310%0.10232%0.318CS..  trans-112.932.5177.3-59.1-61-62.8169.5-8.8113.2E104 D177 W193E104-R197 HydrophobicContact CG-CB 4.48Å; D177-R197 HydrophobicContact CB-CB 3.64Å; D177-R197 HydrophobicContact CB-CG 3.6Å; D177-R197 WeakPolarHBondContact O-CG 3.34Å; W193-R197 VanDerWaalsContact CE2-NH1 3.33Å
198S97.7Very high92.1Very high4 Ų459.9 Ų59.93%0.02832%0.321CS..  trans-45.6142.3170.6-1610000111.7H103 N196 G212 E245H103-S198 PolarHBondContact CE1-OG 2.87Å; H103-S198 WeakPolarHBondContact NE2-CB 3.08Å; H103-S198 PolarHBondContact NE2-OG 3.45Å; H103-S198 VanDerWaalsContact NE2-OG 3.09Å; N196-S198 WeakPolarHBondContact OD1-CB 3.28Å; N196-S198 PolarHBondContact OD1-N 2.95Å; N196-S198 VanDerWaalsContact OD1-N 3.17Å; S198-G212 PolarHBondContact O-N 2.69Å; S198-G212 VanDerWaalsContact O-N 3.07Å; S198-E245 WeakPolarHBondContact CB-OE2 3.37Å; S198-E245 PolarHBondContact OG-OE2 2.56Å
199P97.1Very high92Very high78 Ų7861.4 Ų61.451%0.50633%0.331SS..  trans-49156178.7-29.735.8000113.7H103 E201H103-P199 WeakPolarHBondContact ND1-CD 3.5Å; P199-E201 PolarHBondContact O-N 2.92Å
200T95.4Very high92.2Very high75 Ų7558.6 Ų58.646%0.4632%0.319SS..  trans-61.1129.9-178.4-59.10000110.9C209 C210 K211T200-C209 HydrophobicContact CG2-CB 3.55Å; T200-C210 WeakPolarHBondContact CA-O 3.45Å; T200-K211 WeakPolarHBondContact OG1-CE 3.04Å; T200-K211 VanDerWaalsContact OG1-CG 3.24Å; T200-K211 WeakPolarHBondContact OG1-CG 3.26Å
201E93Very high92.2Very high29 Ų2961.8 Ų61.814%0.13633%0.332CS..EExtended strand (participates in β ladder)trans-118.6136.5172.9-58-160.6153.500110.6P199 C209 C210 P232 Y237 K240P199-E201 PolarHBondContact O-N 2.92Å; E201-C209 CarbonylContact O-C 3.49Å; E201-C209 VanDerWaalsContact O-CA 3.26Å; E201-C209 WeakPolarHBondContact O-CA 3.45Å; E201-C210 PolarHBondContact N-O 3.49Å; E201-C210 PolarHBondContact O-N 2.8Å; E201-P232 HydrophobicContact CB-CB 4.17Å; E201-P232 HydrophobicContact CB-CG 4.07Å; E201-Y237 PolarHBondContact OE2-OH 3.27Å; E201-K240 VanDerWaalsContact CD-NZ 3.33Å; E201-K240 WeakPolarHBondContact OE1-CD 3.37Å; E201-K240 WeakPolarHBondContact OE1-CE 3.45Å; E201-K240 IonicContact OE1-NZ 3.49Å; E201-K240 PolarHBondContact OE1-NZ 3.45Å; E201-K240 WeakPolarHBondContact OE2-CE 3.5Å; E201-K240 IonicContact OE2-NZ 2.7Å
202C91.3Very high92.4Very high75 Ų7562 Ų6251%0.50733%0.334SS..EExtended strand (participates in β ladder)trans-100.7139.1178.8-59.10000110.7G204 F208 C209C202-G204 PolarHBondContact O-N 3.35Å; C202-F208 WeakPolarHBondContact CA-O 3.25Å; C202-C209 HydrophobicContact CB-CB 4.07Å; C202-C209 WeakPolarHBondContact CB-SG 3.28Å; C202-C209 WeakPolarHBondContact SG-CB 3.32Å; C202-C209 CovalentContact SG-SG 2.04Å; C202-C209 PolarHBondContact SG-SG 2.97Å
203Y87.2Confident92.6Very high110 Ų11060.8 Ų60.843%0.43133%0.327SS..  trans-86107.8178.6-169.5-109000112K205 T206 F208 N230 F231Y203-K205 PolarHBondContact O-N 3.13Å; Y203-T206 HydrophobicContact CD1-CG2 4.38Å; Y203-T206 WeakPolarHBondContact O-CB 3.48Å; Y203-T206 WeakPolarHBondContact O-CG2 3.09Å; Y203-T206 PolarHBondContact O-N 3.2Å; Y203-T206 PolarHBondContact O-OG1 3.37Å; Y203-F208 PolarHBondContact N-O 3.03Å; Y203-N230 WeakPolarHBondContact CE2-O 3.1Å; Y203-F231 AromaticContact CD1-CD2 3.85Å; Y203-F231 HydrophobicContact CD1-CD2 3.85Å; Y203-F231 HydrophobicContact CD1-CE2 4.04Å; Y203-F231 AromaticContact CD2-CD2 3.79Å; Y203-F231 HydrophobicContact CD2-CD2 3.79Å; Y203-F231 HydrophobicContact CE1-CD2 4.43Å; Y203-F231 HydrophobicContact CE2-CD2 4.37Å; Y203-F231 AromaticContact CG-CD2 3.48Å; Y203-F231 HydrophobicContact CG-CD2 3.48Å; Y203-F231 VanDerWaalsContact CG-CD2 3.48Å; Y203-F231 AromaticContact CG-CE2 3.84Å; Y203-F231 HydrophobicContact CG-CE2 3.84Å
204G82.2Confident92.6Very high69 Ų6958.5 Ų58.571%0.71132%0.319SS*.THydrogen-bonded Turntrans55.3-135.1177.300000112.6C202 T206C202-G204 PolarHBondContact O-N 3.35Å; G204-T206 VanDerWaalsContact C-N 3.31Å
205K77.5Confident92.7Very high216 Ų21657.5 Ų57.594%0.93932%0.315SS*.THydrogen-bonded Turntrans-91.914.2174.4-63.9-174.9179.2-179.80113.2Y203Y203-K205 PolarHBondContact O-N 3.13Å
206T79Confident92.7Very high56 Ų5657.7 Ų57.734%0.34432%0.316SS..SBendtrans-82.9160.9177.8760000110.6Y203 G204 F208Y203-T206 HydrophobicContact CD1-CG2 4.38Å; Y203-T206 WeakPolarHBondContact O-CB 3.48Å; Y203-T206 WeakPolarHBondContact O-CG2 3.09Å; Y203-T206 PolarHBondContact O-N 3.2Å; Y203-T206 PolarHBondContact O-OG1 3.37Å; G204-T206 VanDerWaalsContact C-N 3.31Å; T206-F208 PolarHBondContact O-N 2.85Å; T206-F208 PolarHBondContact OG1-N 2.7Å
207N82.2Confident92.7Very high160 Ų16058 Ų5886%0.85632%0.317SS*.SBendtrans-83.911.5172.6-67.8-17000112.8C209N207-C209 PolarHBondContact O-N 3.12Å
208F88.1Confident92.7Very high126 Ų12656.7 Ų56.755%0.55331%0.313SS*.  trans-86.6103.1178-65.5-68.4000109.8C202 Y203 T206 F231C202-F208 WeakPolarHBondContact CA-O 3.25Å; Y203-F208 PolarHBondContact N-O 3.03Å; T206-F208 PolarHBondContact O-N 2.85Å; T206-F208 PolarHBondContact OG1-N 2.7Å; F208-F231 HydrophobicContact CB-CE2 3.8Å; F208-F231 HydrophobicContact CB-CZ 3.74Å; F208-F231 HydrophobicContact CD2-CZ 4.3Å; F208-F231 HydrophobicContact CG-CE2 4.37Å; F208-F231 AromaticContact CG-CZ 3.95Å; F208-F231 HydrophobicContact CG-CZ 3.95Å
209C93.5Very high92.7Very high54 Ų5456.5 Ų56.537%0.36531%0.311SS..EExtended strand (participates in β ladder)trans-123.7122.5179.7-53.50000109.2T200 E201 C202 N207T200-C209 HydrophobicContact CG2-CB 3.55Å; E201-C209 CarbonylContact O-C 3.49Å; E201-C209 VanDerWaalsContact O-CA 3.26Å; E201-C209 WeakPolarHBondContact O-CA 3.45Å; C202-C209 HydrophobicContact CB-CB 4.07Å; C202-C209 WeakPolarHBondContact CB-SG 3.28Å; C202-C209 WeakPolarHBondContact SG-CB 3.32Å; C202-C209 CovalentContact SG-SG 2.04Å; C202-C209 PolarHBondContact SG-SG 2.97Å; N207-C209 PolarHBondContact O-N 3.12Å
210C95.6Very high92.8Very high39 Ų3957.3 Ų57.326%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-136.1156.8-176.4-70.10000111.6T200 E201 P232 C233T200-C210 WeakPolarHBondContact CA-O 3.45Å; E201-C210 PolarHBondContact N-O 3.49Å; E201-C210 PolarHBondContact O-N 2.8Å; C210-P232 WeakPolarHBondContact CB-O 3.43Å; C210-C233 HydrophobicContact CB-CB 3.79Å; C210-C233 WeakPolarHBondContact CB-SG 3.37Å; C210-C233 WeakPolarHBondContact SG-CA 3.49Å; C210-C233 WeakPolarHBondContact SG-CB 3.22Å; C210-C233 CovalentContact SG-SG 2.04Å; C210-C233 PolarHBondContact SG-SG 3.3Å
211K96.9Very high92.9Very high79 Ų7954.1 Ų54.134%0.34329%0.291SS..  trans-93.4155.4178.2-71.1-169.8173.5-164.40111.6W193 K195 T200W193-K211 HydrophobicContact CH2-CB 4.48Å; W193-K211 WeakPolarHBondContact CH2-O 3.33Å; W193-K211 HydrophobicContact CZ2-CB 4.44Å; W193-K211 WeakPolarHBondContact CZ2-O 3.44Å; K195-K211 VanDerWaalsContact CE-O 3.25Å; K195-K211 WeakPolarHBondContact CE-O 3.32Å; K195-K211 PolarHBondContact NZ-O 2.99Å; T200-K211 WeakPolarHBondContact OG1-CE 3.04Å; T200-K211 VanDerWaalsContact OG1-CG 3.24Å; T200-K211 WeakPolarHBondContact OG1-CG 3.26Å
212G98.2Very high93.1Very high4 Ų459.8 Ų59.84%0.04131%0.312CS..  trans82152.6165.300000115.3K195 N196 S198K195-G212 WeakPolarHBondContact CD-O 3.31Å; K195-G212 WeakPolarHBondContact CE-O 3.33Å; K195-G212 PolarHBondContact NZ-O 3.41Å; N196-G212 WeakPolarHBondContact O-CA 3.2Å; N196-G212 VanDerWaalsContact OD1-CA 3.26Å; N196-G212 WeakPolarHBondContact OD1-CA 3.3Å; S198-G212 PolarHBondContact O-N 2.69Å; S198-G212 VanDerWaalsContact O-N 3.07Å
213V98.5Very high93.4Very high1 Ų159.5 Ų59.51%0.00630%0.3CS..  trans-121.6143.7177.2168.50000108.9K195 N196 L215 N218 Y237 E245K195-V213 WeakPolarHBondContact CA-O 3.32Å; K195-V213 VanDerWaalsContact CB-O 3.31Å; K195-V213 WeakPolarHBondContact CB-O 3.29Å; N196-V213 PolarHBondContact N-O 2.9Å; N196-V213 PolarHBondContact OD1-N 3.11Å; N196-V213 PolarHBondContact OD1-O 2.99Å; V213-L215 PolarHBondContact O-N 3.34Å; V213-N218 HydrophobicContact CG1-CB 4.06Å; V213-Y237 WeakPolarHBondContact CG1-O 3.33Å; V213-Y237 HydrophobicContact CG2-CD1 3.73Å; V213-Y237 HydrophobicContact CG2-CE1 3.72Å; V213-E245 HydrophobicContact CB-CG 3.61Å; V213-E245 HydrophobicContact CG1-CG 3.53Å; V213-E245 HydrophobicContact CG2-CG 4.13Å; V213-E245 WeakPolarHBondContact CG2-OE1 3.49Å
214D98.7Very high93.9Very high0 Ų055.9 Ų55.90%030%0.297CS..  trans-72.1105.8167.7-171.8-19.7000108.8H132 R194 N216 R217 N218 D235 Y237H132-D214 IonicContact CD2-OD1 3.32Å; H132-D214 IonicContact NE2-OD1 3.74Å; H132-D214 PolarHBondContact NE2-OD1 3.04Å; H132-D214 VanDerWaalsContact NE2-OD1 3.16Å; R194-D214 IonicContact CZ-OD2 3.85Å; R194-D214 IonicContact NE-OD1 3.84Å; R194-D214 IonicContact NE-OD2 2.8Å; R194-D214 PolarHBondContact NE-OD2 3.41Å; R194-D214 IonicContact NH2-OD1 3.92Å; R194-D214 IonicContact NH2-OD2 3.6Å; R194-D214 PolarHBondContact NH2-OD2 3.43Å; D214-N216 PolarHBondContact O-N 2.86Å; D214-N216 PolarHBondContact OD1-N 3Å; D214-R217 HydrophobicContact CB-CB 4.06Å; D214-R217 HydrophobicContact CB-CG 3.88Å; D214-R217 PolarHBondContact O-N 3.46Å; D214-N218 PolarHBondContact O-N 3.37Å; D214-D235 WeakPolarHBondContact CB-O 3.24Å; D214-Y237 PolarHBondContact N-O 2.66Å
215L98.8Very high94.5Very high1 Ų154 Ų541%0.00528%0.278CS..G310 helixtrans-59.3-30.9-179-67.4-179.1000112.3M131 N175 N196 V213 R217 N218 F219 E245 E247M131-L215 HydrophobicContact CG-CB 3.44Å; M131-L215 VanDerWaalsContact CG-CB 3.44Å; M131-L215 HydrophobicContact CG-CD1 4.09Å; M131-L215 HydrophobicContact CG-CG 4.42Å; M131-L215 HydrophobicContact SD-CB 3.92Å; N175-L215 HydrophobicContact CB-CD1 3.73Å; N196-L215 HydrophobicContact CB-CD1 4.27Å; N196-L215 HydrophobicContact CB-CD2 4.19Å; N196-L215 HydrophobicContact CB-CG 4.17Å; V213-L215 PolarHBondContact O-N 3.34Å; L215-R217 PolarHBondContact O-N 3.44Å; L215-N218 PolarHBondContact O-N 3.22Å; L215-F219 VanDerWaalsContact O-CD2 3.3Å; L215-F219 WeakPolarHBondContact O-CD2 3.23Å; L215-F219 VanDerWaalsContact O-CE2 3.3Å; L215-F219 WeakPolarHBondContact O-CE2 3.45Å; L215-E245 HydrophobicContact CD2-CB 3.57Å; L215-E245 HydrophobicContact CD2-CG 3.8Å; L215-E247 HydrophobicContact CD1-CB 3.74Å; L215-E247 HydrophobicContact CD1-CG 4.21Å; L215-E247 HydrophobicContact CD2-CB 3.93Å
216N98.5Very high95.4Very high8 Ų846.2 Ų46.24%0.04325%0.253CS..G310 helixtrans-87.215.7177.1-153.123.7000113.3M131 H132 D214 G326 G327 S328M131-N216 HydrophobicContact CE-CB 3.57Å; M131-N216 VanDerWaalsContact CE-OD1 3.32Å; M131-N216 WeakPolarHBondContact CE-OD1 3.31Å; M131-N216 HydrophobicContact SD-CB 4.19Å; H132-N216 WeakPolarHBondContact NE2-CB 3.34Å; D214-N216 PolarHBondContact O-N 2.86Å; D214-N216 PolarHBondContact OD1-N 3Å; N216-G326 CarbonylContact C-O 3.47Å; N216-G326 VanDerWaalsContact C-O 3.28Å; N216-G326 CarbonylContact O-C 3.46Å; N216-G327 VanDerWaalsContact OD1-CA 3.25Å; N216-G327 WeakPolarHBondContact OD1-CA 3.47Å; N216-S328 PolarHBondContact OD1-N 3.11Å
217R98.5Very high96.1Very high7 Ų745 Ų453%0.02625%0.253CS..G310 helixtrans-122.34.6165.6-59.5-64.4178.9-93-1.3111.6D214 L215 W223 G227 A325 G326D214-R217 HydrophobicContact CB-CB 4.06Å; D214-R217 HydrophobicContact CB-CG 3.88Å; D214-R217 PolarHBondContact O-N 3.46Å; L215-R217 PolarHBondContact O-N 3.44Å; R217-W223 PolarHBondContact O-NE1 3.43Å; R217-G227 PolarHBondContact NE-O 3.21Å; R217-A325 WeakPolarHBondContact CD-O 3.16Å; R217-G326 CarbonylContact C-O 3.54Å; R217-G326 VanDerWaalsContact C-O 3.26Å; R217-G326 WeakPolarHBondContact CA-O 3.42Å; R217-G326 PolarHBondContact N-O 3.04Å
218N98.6Very high96.7Very high0 Ų038.6 Ų38.60%022%0.22CC..  trans-104.3-1.3-170.8-166.5-115.8000113.6V213 D214 L215 G238 E241 F243 S244 E245 S248 G326V213-N218 HydrophobicContact CG1-CB 4.06Å; D214-N218 PolarHBondContact O-N 3.37Å; L215-N218 PolarHBondContact O-N 3.22Å; N218-G238 PolarHBondContact ND2-O 3.06Å; N218-E241 PolarHBondContact ND2-O 3.45Å; N218-F243 PolarHBondContact O-N 2.86Å; N218-F243 WeakPolarHBondContact OD1-CA 3.39Å; N218-S244 PolarHBondContact ND2-OG 3.3Å; N218-S244 PolarHBondContact OD1-N 3.35Å; N218-E245 WeakPolarHBondContact OD1-CG 3.48Å; N218-E245 PolarHBondContact OD1-N 2.99Å; N218-S248 PolarHBondContact OD1-OG 2.88Å; N218-G326 PolarHBondContact N-O 3.26Å
219F98.7Very high97.1Very high0 Ų033.2 Ų33.20%020%0.198CC..SBendtrans-81.9152.4177.6-70.8-110.3000111.6M131 L215 F221 F243 I251 G326 S328 W331M131-F219 HydrophobicContact SD-CE2 3.96Å; M131-F219 HydrophobicContact SD-CZ 4.5Å; L215-F219 VanDerWaalsContact O-CD2 3.3Å; L215-F219 WeakPolarHBondContact O-CD2 3.23Å; L215-F219 VanDerWaalsContact O-CE2 3.3Å; L215-F219 WeakPolarHBondContact O-CE2 3.45Å; F219-F221 PolarHBondContact O-N 3.25Å; F219-F243 HydrophobicContact CB-CE1 4.03Å; F219-F243 HydrophobicContact CB-CZ 4.25Å; F219-F243 HydrophobicContact CD1-CD1 4.48Å; F219-F243 AromaticContact CD1-CE1 3.43Å; F219-F243 HydrophobicContact CD1-CE1 3.43Å; F219-F243 VanDerWaalsContact CD1-CE1 3.43Å; F219-F243 HydrophobicContact CD1-CZ 4.01Å; F219-F243 AromaticContact CE1-CE1 3.99Å; F219-F243 HydrophobicContact CE1-CE1 3.99Å; F219-F243 AromaticContact CG-CE1 3.84Å; F219-F243 HydrophobicContact CG-CE1 3.84Å; F219-F243 HydrophobicContact CG-CZ 4.45Å; F219-I251 HydrophobicContact CE1-CG2 4.26Å; F219-I251 HydrophobicContact CZ-CB 4.33Å; F219-I251 HydrophobicContact CZ-CD1 4.5Å; F219-I251 HydrophobicContact CZ-CG2 4.23Å; F219-G326 WeakPolarHBondContact CB-O 3.4Å; F219-G326 PolarHBondContact N-O 2.96Å; F219-G326 VanDerWaalsContact O-CA 3.27Å; F219-G326 WeakPolarHBondContact O-CA 3.26Å; F219-S328 VanDerWaalsContact CZ-CB 3.44Å; F219-W331 HydrophobicContact CB-CB 3.85Å; F219-W331 HydrophobicContact CB-CG 4.27Å; F219-W331 HydrophobicContact CD1-CB 4.05Å; F219-W331 HydrophobicContact CD1-CD2 4Å; F219-W331 AromaticContact CD1-CE3 3.94Å; F219-W331 HydrophobicContact CD1-CE3 3.94Å; F219-W331 HydrophobicContact CD1-CG 4.04Å; F219-W331 HydrophobicContact CE1-CE3 4.22Å; F219-W331 HydrophobicContact CG-CB 4.37Å
220D98.3Very high97.1Very high94 Ų9435.3 Ų35.350%0.50321%0.206SC..SBendtrans-77.769.1179.6-17025.4000112.7P242 F243D220-P242 HydrophobicContact CB-CB 3.64Å; D220-P242 HydrophobicContact CB-CG 4.37Å; D220-F243 HydrophobicContact CB-CD2 3.92Å; D220-F243 HydrophobicContact CB-CE2 3.3Å; D220-F243 HydrophobicContact CB-CZ 4.02Å
221F97.8Very high97.1Very high9 Ų935.9 Ų35.94%0.03920%0.204CC..SBendtrans-144102.5172-176.3-95.4000110.2F219 W223 Y279 H281 G326 D330 W331 N334F219-F221 PolarHBondContact O-N 3.25Å; F221-W223 PolarHBondContact O-N 3.01Å; F221-W223 VanDerWaalsContact O-N 3.11Å; F221-Y279 AromaticContact CE1-CD1 3.89Å; F221-Y279 HydrophobicContact CE1-CD1 3.89Å; F221-Y279 HydrophobicContact CE1-CE1 4.45Å; F221-Y279 HydrophobicContact CE2-CD1 4.1Å; F221-Y279 AromaticContact CE2-CE1 3.86Å; F221-Y279 HydrophobicContact CE2-CE1 3.86Å; F221-Y279 AromaticContact CZ-CD1 3.35Å; F221-Y279 HydrophobicContact CZ-CD1 3.35Å; F221-Y279 AromaticContact CZ-CE1 3.58Å; F221-Y279 HydrophobicContact CZ-CE1 3.58Å; F221-Y279 HydrophobicContact CZ-CG 4.13Å; F221-H281 HydrophobicContact CD1-CB 4.24Å; F221-H281 HydrophobicContact CE1-CB 3.72Å; F221-H281 AromaticContact CE1-CG 3.53Å; F221-H281 AromaticContact CE1-ND1 3.32Å; F221-H281 VanDerWaalsContact CE1-ND1 3.32Å; F221-H281 WeakPolarHBondContact CE1-ND1 3.39Å; F221-H281 AromaticContact CZ-CE1 3.95Å; F221-H281 AromaticContact CZ-ND1 3.62Å; F221-G326 WeakPolarHBondContact O-CA 3.36Å; F221-G326 PolarHBondContact O-N 3.41Å; F221-D330 HydrophobicContact CB-CB 4.38Å; F221-D330 HydrophobicContact CD1-CB 3.24Å; F221-D330 HydrophobicContact CD2-CB 4.37Å; F221-D330 HydrophobicContact CE1-CB 3.41Å; F221-D330 VanDerWaalsContact CE1-CB 3.41Å; F221-D330 WeakPolarHBondContact CE1-OD2 3.35Å; F221-D330 HydrophobicContact CG-CB 3.74Å; F221-D330 HydrophobicContact CZ-CB 4.08Å; F221-W331 HydrophobicContact CB-CB 4.19Å; F221-N334 HydrophobicContact CD2-CB 3.73Å; F221-N334 HydrophobicContact CE2-CB 3.51Å
222Y97.5Very high97Very high148 Ų14832.3 Ų32.358%0.5819%0.188SC*.SBendtrans49.932.4-171.1-69.7-89.4000112.9G225 H281 A325Y222-G225 WeakPolarHBondContact O-CA 3.5Å; Y222-G225 PolarHBondContact O-N 3.14Å; Y222-H281 HydrophobicContact CD2-CB 4.17Å; Y222-H281 AromaticContact CD2-CD2 3.39Å; Y222-H281 WeakPolarHBondContact CD2-CD2 3.5Å; Y222-H281 AromaticContact CD2-CG 3.68Å; Y222-H281 AromaticContact CD2-NE2 3.9Å; Y222-H281 AromaticContact CE2-CD2 3.42Å; Y222-H281 VanDerWaalsContact CE2-CD2 3.42Å; Y222-H281 WeakPolarHBondContact CE2-CD2 3.27Å; Y222-H281 AromaticContact CE2-CE1 3.97Å; Y222-H281 AromaticContact CE2-NE2 3.42Å; Y222-H281 WeakPolarHBondContact CE2-NE2 3.37Å; Y222-H281 HydrophobicContact CG-CB 4.33Å; Y222-H281 AromaticContact CG-CD2 3.68Å; Y222-H281 AromaticContact CZ-CD2 3.74Å; Y222-H281 AromaticContact CZ-NE2 3.64Å; Y222-A325 WeakPolarHBondContact O-CB 3.39Å
223W97.9Very high96.8Very high68 Ų6834 Ų3426%0.25820%0.199SC..THydrogen-bonded Turntrans-52.5140.8-175.8177.789.5000111.9R217 F221 G225 G238 G239 K240 E241 P242R217-W223 PolarHBondContact O-NE1 3.43Å; F221-W223 PolarHBondContact O-N 3.01Å; F221-W223 VanDerWaalsContact O-N 3.11Å; W223-G225 PolarHBondContact O-N 3.39Å; W223-G238 PolarHBondContact NE1-O 3.21Å; W223-G239 VanDerWaalsContact CZ2-O 3.31Å; W223-G239 WeakPolarHBondContact CZ2-O 3.21Å; W223-K240 VanDerWaalsContact CH2-O 3.29Å; W223-K240 WeakPolarHBondContact CH2-O 3.27Å; W223-E241 VanDerWaalsContact CZ2-CA 3.45Å; W223-E241 VanDerWaalsContact CZ2-N 3.34Å; W223-P242 HydrophobicContact CB-CB 4.29Å; W223-P242 HydrophobicContact CB-CG 3.77Å; W223-P242 HydrophobicContact CD2-CG 3.78Å; W223-P242 HydrophobicContact CE3-CG 4.06Å; W223-P242 HydrophobicContact CG-CB 4.11Å; W223-P242 HydrophobicContact CG-CG 3.64Å
224G96Very high96.7Very high34 Ų3438.2 Ų38.235%0.35122%0.219SC..THydrogen-bonded Turntrans73.15.1-171.800000114.4S228G224-S228 VanDerWaalsContact CA-OG 3.29Å; G224-S228 WeakPolarHBondContact CA-OG 3.31Å
225G96.2Very high96.5Very high31 Ų3141.9 Ų41.932%0.3224%0.238SC..  trans-80.9-156.6177.800000114.1Y222 W223 S228Y222-G225 WeakPolarHBondContact O-CA 3.5Å; Y222-G225 PolarHBondContact O-N 3.14Å; W223-G225 PolarHBondContact O-N 3.39Å; G225-S228 PolarHBondContact N-OG 2.99Å; G225-S228 PolarHBondContact O-N 3.32Å; G225-S228 PolarHBondContact O-OG 3.04Å
226A95.3Very high96.5Very high51 Ų5143.6 Ų43.642%0.42125%0.249SC..THydrogen-bonded Turntrans-55.7142.6-175.900000112.6S228 P323 S324 A325A226-S228 PolarHBondContact O-N 3.48Å; A226-P323 CarbonylContact C-O 3.58Å; A226-P323 HydrophobicContact CB-CB 3.75Å; A226-S324 CarbonylContact O-C 3.55Å; A226-S324 VanDerWaalsContact O-CA 3.26Å; A226-S324 WeakPolarHBondContact O-CA 3.34Å; A226-A325 PolarHBondContact O-N 2.93Å
227G94.7Very high96.4Very high32 Ų3243.8 Ų43.833%0.3325%0.249SC..THydrogen-bonded Turntrans69.78.3177.600000115.6R217 P323R217-G227 PolarHBondContact NE-O 3.21Å; G227-P323 WeakPolarHBondContact CA-O 3.45Å; G227-P323 PolarHBondContact N-O 2.94Å
228S95.3Very high96.4Very high25 Ų2543.5 Ų43.518%0.17525%0.249CC..  trans-112.2159.8170.773.90000110.7G224 G225 A226G224-S228 VanDerWaalsContact CA-OG 3.29Å; G224-S228 WeakPolarHBondContact CA-OG 3.31Å; G225-S228 PolarHBondContact N-OG 2.99Å; G225-S228 PolarHBondContact O-N 3.32Å; G225-S228 PolarHBondContact O-OG 3.04Å; A226-S228 PolarHBondContact O-N 3.48Å
229S95.4Very high96.3Very high12 Ų1243.6 Ų43.68%0.08425%0.25CC..BIsolated β-bridgetrans-123148.9177.6-1730000111.6F231 E234 T236 Y237 G238S229-F231 PolarHBondContact OG-N 2.71Å; S229-E234 WeakPolarHBondContact CB-OE2 3.48Å; S229-E234 VanDerWaalsContact OG-CD 3.27Å; S229-E234 PolarHBondContact OG-OE2 2.99Å; S229-T236 PolarHBondContact N-O 2.94Å; S229-Y237 WeakPolarHBondContact O-CA 3.46Å; S229-Y237 WeakPolarHBondContact O-CD2 3.34Å; S229-G238 PolarHBondContact O-N 3.03Å
230N93.5Very high96.1Very high99 Ų9950.3 Ų50.353%0.52928%0.279SS..SBendtrans-98.53.7169.1-65.3-26.1000112Y203 P232Y203-N230 WeakPolarHBondContact CE2-O 3.1Å; N230-P232 WeakPolarHBondContact O-CD 3.42Å
231F95.1Very high96.1Very high50 Ų5051.6 Ų51.622%0.21928%0.282CS..  trans-97113.9179.4-176-133.6000110.6Y203 F208 S229 C233 E234 Y237Y203-F231 AromaticContact CD1-CD2 3.85Å; Y203-F231 HydrophobicContact CD1-CD2 3.85Å; Y203-F231 HydrophobicContact CD1-CE2 4.04Å; Y203-F231 AromaticContact CD2-CD2 3.79Å; Y203-F231 HydrophobicContact CD2-CD2 3.79Å; Y203-F231 HydrophobicContact CE1-CD2 4.43Å; Y203-F231 HydrophobicContact CE2-CD2 4.37Å; Y203-F231 AromaticContact CG-CD2 3.48Å; Y203-F231 HydrophobicContact CG-CD2 3.48Å; Y203-F231 VanDerWaalsContact CG-CD2 3.48Å; Y203-F231 AromaticContact CG-CE2 3.84Å; Y203-F231 HydrophobicContact CG-CE2 3.84Å; F208-F231 HydrophobicContact CB-CE2 3.8Å; F208-F231 HydrophobicContact CB-CZ 3.74Å; F208-F231 HydrophobicContact CD2-CZ 4.3Å; F208-F231 HydrophobicContact CG-CE2 4.37Å; F208-F231 AromaticContact CG-CZ 3.95Å; F208-F231 HydrophobicContact CG-CZ 3.95Å; S229-F231 PolarHBondContact OG-N 2.71Å; F231-C233 HydrophobicContact CD1-CB 4.11Å; F231-C233 HydrophobicContact CE1-CB 3.58Å; F231-C233 HydrophobicContact CE2-CB 4.45Å; F231-C233 HydrophobicContact CZ-CB 3.77Å; F231-C233 PolarHBondContact O-N 3.2Å; F231-E234 HydrophobicContact CD1-CG 3.96Å; F231-E234 PolarHBondContact O-N 2.98Å; F231-Y237 WeakPolarHBondContact O-CB 3.26Å
232P95.6Very high96.1Very high4 Ų453.1 Ų53.13%0.02629%0.292CS..THydrogen-bonded Turntrans-54.9-23.4-175-30.435.4000116.6K195 E201 C210 N230 Y237K195-P232 PolarHBondContact NZ-O 3.46Å; E201-P232 HydrophobicContact CB-CB 4.17Å; E201-P232 HydrophobicContact CB-CG 4.07Å; C210-P232 WeakPolarHBondContact CB-O 3.43Å; N230-P232 WeakPolarHBondContact O-CD 3.42Å; P232-Y237 HydrophobicContact CB-CD1 4.25Å; P232-Y237 HydrophobicContact CB-CE1 4.13Å; P232-Y237 HydrophobicContact CG-CE1 4.19Å; P232-Y237 HydrophobicContact CG-CE2 4.18Å
233C95Very high96.2Very high40 Ų4046.8 Ų46.827%0.2727%0.268SS..THydrogen-bonded Turntrans-87.2-7.2179.9-65.10000114.2C210 F231C210-C233 HydrophobicContact CB-CB 3.79Å; C210-C233 WeakPolarHBondContact CB-SG 3.37Å; C210-C233 WeakPolarHBondContact SG-CA 3.49Å; C210-C233 WeakPolarHBondContact SG-CB 3.22Å; C210-C233 CovalentContact SG-SG 2.04Å; C210-C233 PolarHBondContact SG-SG 3.3Å; F231-C233 HydrophobicContact CD1-CB 4.11Å; F231-C233 HydrophobicContact CE1-CB 3.58Å; F231-C233 HydrophobicContact CE2-CB 4.45Å; F231-C233 HydrophobicContact CZ-CB 3.77Å; F231-C233 PolarHBondContact O-N 3.2Å
234E95.2Very high96.2Very high89 Ų8944.4 Ų44.442%0.41626%0.262SS..SBendtrans-81.3149.2173.1-84171.3-15100111.9K195 S229 F231 T236 Y237K195-E234 PolarHBondContact NZ-O 3.33Å; K195-E234 VanDerWaalsContact NZ-O 3.11Å; S229-E234 WeakPolarHBondContact CB-OE2 3.48Å; S229-E234 VanDerWaalsContact OG-CD 3.27Å; S229-E234 PolarHBondContact OG-OE2 2.99Å; F231-E234 HydrophobicContact CD1-CG 3.96Å; F231-E234 PolarHBondContact O-N 2.98Å; E234-T236 PolarHBondContact O-N 3.23Å; E234-Y237 WeakPolarHBondContact O-CB 3.47Å; E234-Y237 PolarHBondContact O-N 3.37Å
235D95.4Very high96.3Very high77 Ų7743 Ų4341%0.41225%0.246SC..THydrogen-bonded Turntrans-65-22.2178.2-96.34.1000112.7R134 D214R134-D235 IonicContact NH1-OD2 2.77Å; R134-D235 PolarHBondContact NH1-OD2 2.84Å; D214-D235 WeakPolarHBondContact CB-O 3.24Å
236T97.1Very high96.5Very high37 Ų3742.6 Ų42.623%0.22724%0.238CC..THydrogen-bonded Turntrans-104.717.6-179.157.40000113.1S229 E234 G238S229-T236 PolarHBondContact N-O 2.94Å; E234-T236 PolarHBondContact O-N 3.23Å; T236-G238 PolarHBondContact O-N 2.96Å; T236-G238 VanDerWaalsContact O-N 3.16Å
237Y97.8Very high96.6Very high13 Ų1340.1 Ų40.15%0.05122%0.218CC..BIsolated β-bridgetrans-58.4117176.1177.5-128.3000111E201 V213 D214 S229 F231 P232 E234 G239E201-Y237 PolarHBondContact OE2-OH 3.27Å; V213-Y237 WeakPolarHBondContact CG1-O 3.33Å; V213-Y237 HydrophobicContact CG2-CD1 3.73Å; V213-Y237 HydrophobicContact CG2-CE1 3.72Å; D214-Y237 PolarHBondContact N-O 2.66Å; S229-Y237 WeakPolarHBondContact O-CA 3.46Å; S229-Y237 WeakPolarHBondContact O-CD2 3.34Å; F231-Y237 WeakPolarHBondContact O-CB 3.26Å; P232-Y237 HydrophobicContact CB-CD1 4.25Å; P232-Y237 HydrophobicContact CB-CE1 4.13Å; P232-Y237 HydrophobicContact CG-CE1 4.19Å; P232-Y237 HydrophobicContact CG-CE2 4.18Å; E234-Y237 WeakPolarHBondContact O-CB 3.47Å; E234-Y237 PolarHBondContact O-N 3.37Å; Y237-G239 VanDerWaalsContact C-N 3.32Å; Y237-G239 WeakPolarHBondContact CE2-O 3.27Å; Y237-G239 PolarHBondContact O-N 3.26Å
238G97.3Very high96.8Very high1 Ų138.7 Ų38.71%0.0120%0.202CC..  trans-83.51.8-173.400000115.7N218 W223 S229 T236N218-G238 PolarHBondContact ND2-O 3.06Å; W223-G238 PolarHBondContact NE1-O 3.21Å; S229-G238 PolarHBondContact O-N 3.03Å; T236-G238 PolarHBondContact O-N 2.96Å; T236-G238 VanDerWaalsContact O-N 3.16Å
239G97.2Very high97Very high2 Ų241.6 Ų41.62%0.02121%0.209CC..  trans90.3-170.9-174.800000113W223 Y237W223-G239 VanDerWaalsContact CZ2-O 3.31Å; W223-G239 WeakPolarHBondContact CZ2-O 3.21Å; Y237-G239 VanDerWaalsContact C-N 3.32Å; Y237-G239 WeakPolarHBondContact CE2-O 3.27Å; Y237-G239 PolarHBondContact O-N 3.26Å
240K95.5Very high97.2Very high141 Ų14141.2 Ų41.261%0.61321%0.207SC*.SBendtrans-85.4-26.7-179.5-74177.2169.5145.40114E201 W223E201-K240 VanDerWaalsContact CD-NZ 3.33Å; E201-K240 WeakPolarHBondContact OE1-CD 3.37Å; E201-K240 WeakPolarHBondContact OE1-CE 3.45Å; E201-K240 IonicContact OE1-NZ 3.49Å; E201-K240 PolarHBondContact OE1-NZ 3.45Å; E201-K240 WeakPolarHBondContact OE2-CE 3.5Å; E201-K240 IonicContact OE2-NZ 2.7Å; W223-K240 VanDerWaalsContact CH2-O 3.29Å; W223-K240 WeakPolarHBondContact CH2-O 3.27Å
241E97.4Very high97.4Very high121 Ų12136.5 Ų36.557%0.56518%0.182SC*.SBendtrans-158.3162.3-179.261.4-175.8175.400109.2N218 W223 F243 S244N218-E241 PolarHBondContact ND2-O 3.45Å; W223-E241 VanDerWaalsContact CZ2-CA 3.45Å; W223-E241 VanDerWaalsContact CZ2-N 3.34Å; E241-F243 PolarHBondContact O-N 3.43Å; E241-S244 WeakPolarHBondContact O-CB 3.44Å; E241-S244 PolarHBondContact O-N 2.7Å; E241-S244 VanDerWaalsContact O-N 3.13Å; E241-S244 PolarHBondContact O-OG 3.48Å
242P98.4Very high97.6Very high40 Ų4037.3 Ų37.326%0.2618%0.183SC..THydrogen-bonded Turntrans-56134.4171.8-17.327.1000110.8D220 W223 S244D220-P242 HydrophobicContact CB-CB 3.64Å; D220-P242 HydrophobicContact CB-CG 4.37Å; W223-P242 HydrophobicContact CB-CB 4.29Å; W223-P242 HydrophobicContact CB-CG 3.77Å; W223-P242 HydrophobicContact CD2-CG 3.78Å; W223-P242 HydrophobicContact CE3-CG 4.06Å; W223-P242 HydrophobicContact CG-CB 4.11Å; W223-P242 HydrophobicContact CG-CG 3.64Å; P242-S244 VanDerWaalsContact C-N 3.25Å; P242-S244 PolarHBondContact O-N 3.41Å
243F98.6Very high97.7Very high15 Ų1540.9 Ų40.97%0.06620%0.202CC..THydrogen-bonded Turntrans5931.9-177.4-53.2-66.1000114.2N218 F219 D220 E241 E245 R249 R252 W331N218-F243 PolarHBondContact O-N 2.86Å; N218-F243 WeakPolarHBondContact OD1-CA 3.39Å; F219-F243 HydrophobicContact CB-CE1 4.03Å; F219-F243 HydrophobicContact CB-CZ 4.25Å; F219-F243 HydrophobicContact CD1-CD1 4.48Å; F219-F243 AromaticContact CD1-CE1 3.43Å; F219-F243 HydrophobicContact CD1-CE1 3.43Å; F219-F243 VanDerWaalsContact CD1-CE1 3.43Å; F219-F243 HydrophobicContact CD1-CZ 4.01Å; F219-F243 AromaticContact CE1-CE1 3.99Å; F219-F243 HydrophobicContact CE1-CE1 3.99Å; F219-F243 AromaticContact CG-CE1 3.84Å; F219-F243 HydrophobicContact CG-CE1 3.84Å; F219-F243 HydrophobicContact CG-CZ 4.45Å; D220-F243 HydrophobicContact CB-CD2 3.92Å; D220-F243 HydrophobicContact CB-CE2 3.3Å; D220-F243 HydrophobicContact CB-CZ 4.02Å; E241-F243 PolarHBondContact O-N 3.43Å; F243-E245 PolarHBondContact O-N 2.64Å; F243-R249 HydrophobicContact CB-CG 3.78Å; F243-R249 WeakPolarHBondContact O-CD 3.42Å; F243-R249 VanDerWaalsContact O-CG 3.23Å; F243-R249 WeakPolarHBondContact O-CG 3.39Å; F243-R249 PolarHBondContact O-NH1 2.87Å; F243-R252 HydrophobicContact CD1-CB 4.04Å; F243-R252 HydrophobicContact CD1-CG 4.28Å; F243-R252 HydrophobicContact CE1-CB 3.66Å; F243-R252 HydrophobicContact CE1-CG 3.77Å; F243-R252 VanDerWaalsContact CE2-CD 3.44Å; F243-R252 HydrophobicContact CE2-CG 4.09Å; F243-R252 HydrophobicContact CZ-CB 4.1Å; F243-R252 HydrophobicContact CZ-CG 3.67Å; F243-W331 AromaticContact CE2-NE1 3.99Å; F243-W331 AromaticContact CZ-CD1 3.75Å; F243-W331 HydrophobicContact CZ-CD2 4.18Å; F243-W331 AromaticContact CZ-CE2 3.82Å; F243-W331 HydrophobicContact CZ-CG 4.18Å; F243-W331 HydrophobicContact CZ-CZ2 4.43Å; F243-W331 AromaticContact CZ-NE1 3.5Å
244S98.4Very high97.9Very high18 Ų1840.3 Ų40.313%0.12620%0.195CC..  trans-62.2-26.3171.364.20000112.7N218 E241 P242 R249N218-S244 PolarHBondContact ND2-OG 3.3Å; N218-S244 PolarHBondContact OD1-N 3.35Å; E241-S244 WeakPolarHBondContact O-CB 3.44Å; E241-S244 PolarHBondContact O-N 2.7Å; E241-S244 VanDerWaalsContact O-N 3.13Å; E241-S244 PolarHBondContact O-OG 3.48Å; P242-S244 VanDerWaalsContact C-N 3.25Å; P242-S244 PolarHBondContact O-N 3.41Å; S244-R249 PolarHBondContact O-NH1 2.81Å
245E98.8Very high98.1Very high4 Ų436.1 Ų36.12%0.01918%0.176CC..SBendtrans-90.6138.4-176.7-52.3-45.6106.500112.2H103 N196 S198 V213 L215 N218 F243 E247 S248 R249H103-E245 IonicContact CD2-OE2 3.97Å; H103-E245 IonicContact CE1-OE2 3.18Å; H103-E245 IonicContact NE2-OE2 3.82Å; H103-E245 PolarHBondContact NE2-OE2 3.09Å; N196-E245 PolarHBondContact ND2-OE2 3.38Å; S198-E245 WeakPolarHBondContact CB-OE2 3.37Å; S198-E245 PolarHBondContact OG-OE2 2.56Å; V213-E245 HydrophobicContact CB-CG 3.61Å; V213-E245 HydrophobicContact CG1-CG 3.53Å; V213-E245 HydrophobicContact CG2-CG 4.13Å; V213-E245 WeakPolarHBondContact CG2-OE1 3.49Å; L215-E245 HydrophobicContact CD2-CB 3.57Å; L215-E245 HydrophobicContact CD2-CG 3.8Å; N218-E245 WeakPolarHBondContact OD1-CG 3.48Å; N218-E245 PolarHBondContact OD1-N 2.99Å; F243-E245 PolarHBondContact O-N 2.64Å; E245-E247 PolarHBondContact O-N 2.58Å; E245-S248 PolarHBondContact O-N 2.88Å; E245-S248 PolarHBondContact O-OG 2.76Å; E245-R249 WeakPolarHBondContact O-CG 3.37Å; E245-R249 PolarHBondContact O-N 2.8Å; E245-R249 VanDerWaalsContact O-N 3.1Å
246P98.8Very high98.2Very high23 Ų2337.7 Ų37.715%0.14918%0.176CC..Hα-helixtrans-66.3-28.4178.130.6-35.8000112.1Y101 H103 A250Y101-P246 VanDerWaalsContact O-CB 3.31Å; Y101-P246 WeakPolarHBondContact O-CB 3.39Å; H103-P246 VanDerWaalsContact CD2-CD 3.43Å; H103-P246 WeakPolarHBondContact CD2-CD 3.47Å; H103-P246 WeakPolarHBondContact NE2-CD 3.28Å; P246-A250 WeakPolarHBondContact O-CB 3.34Å; P246-A250 PolarHBondContact O-N 3.46Å
247E98.9Very high98.3Very high0 Ų039.4 Ų39.40%019%0.194CC..Hα-helixtrans-66.6-45.9176.3-58.183.217800112.3S102 H103 I108 N196 L215 E245 A250 I251S102-E247 WeakPolarHBondContact CA-OE1 3.46Å; S102-E247 VanDerWaalsContact CB-OE1 3.27Å; S102-E247 WeakPolarHBondContact CB-OE1 3.42Å; H103-E247 IonicContact CD2-OE1 2.97Å; H103-E247 IonicContact CD2-OE2 3.5Å; I108-E247 HydrophobicContact CD1-CB 4Å; I108-E247 HydrophobicContact CD1-CG 3.89Å; N196-E247 PolarHBondContact ND2-OE2 3.16Å; L215-E247 HydrophobicContact CD1-CB 3.74Å; L215-E247 HydrophobicContact CD1-CG 4.21Å; L215-E247 HydrophobicContact CD2-CB 3.93Å; E245-E247 PolarHBondContact O-N 2.58Å; E247-A250 PolarHBondContact O-N 3.05Å; E247-I251 PolarHBondContact O-N 3.06Å
248S98.8Very high98.2Very high1 Ų142.5 Ų42.51%0.00721%0.208CC..Hα-helixtrans-68.1-37.3177.864.60000111.3N218 E245 I251 R252N218-S248 PolarHBondContact OD1-OG 2.88Å; E245-S248 PolarHBondContact O-N 2.88Å; E245-S248 PolarHBondContact O-OG 2.76Å; S248-I251 PolarHBondContact O-N 3.3Å; S248-R252 WeakPolarHBondContact O-CB 3.11Å; S248-R252 PolarHBondContact O-N 3.23Å
249R98.8Very high98.2Very high86 Ų8647.4 Ų47.433%0.32523%0.226SC..Hα-helixtrans-60.4-43.6171.7-75.4-168.5-61.7-93.91.7112.6F243 S244 E245 I251 R252 D253F243-R249 HydrophobicContact CB-CG 3.78Å; F243-R249 WeakPolarHBondContact O-CD 3.42Å; F243-R249 VanDerWaalsContact O-CG 3.23Å; F243-R249 WeakPolarHBondContact O-CG 3.39Å; F243-R249 PolarHBondContact O-NH1 2.87Å; S244-R249 PolarHBondContact O-NH1 2.81Å; E245-R249 WeakPolarHBondContact O-CG 3.37Å; E245-R249 PolarHBondContact O-N 2.8Å; E245-R249 VanDerWaalsContact O-N 3.1Å; R249-I251 VanDerWaalsContact C-N 3.33Å; R249-I251 PolarHBondContact O-N 2.97Å; R249-R252 WeakPolarHBondContact O-CB 3.46Å; R249-R252 PolarHBondContact O-N 2.97Å; R249-D253 WeakPolarHBondContact O-CB 3.36Å; R249-D253 PolarHBondContact O-N 2.81Å
250A98.8Very high98.1Very high4 Ų451.6 Ų51.63%0.03326%0.255CS..Hα-helixtrans-59.6-44.5-179.900000111.7I99 I108 P246 E247 F254I99-A250 HydrophobicContact CD1-CB 4.14Å; I99-A250 HydrophobicContact CG1-CB 4.09Å; I99-A250 WeakPolarHBondContact O-CB 3.41Å; I108-A250 HydrophobicContact CD1-CB 3.8Å; P246-A250 WeakPolarHBondContact O-CB 3.34Å; P246-A250 PolarHBondContact O-N 3.46Å; E247-A250 PolarHBondContact O-N 3.05Å; A250-F254 WeakPolarHBondContact O-CB 3.25Å; A250-F254 PolarHBondContact O-N 2.96Å; A250-F254 VanDerWaalsContact O-N 3.16Å
251I98.9Very high98.1Very high1 Ų146.7 Ų46.71%0.00524%0.237CC..Hα-helixtrans-64.8-49.8175.3-62.1175.2000110.4I99 W126 A174 F219 E247 S248 R249 D253 F254 V255 F265I99-I251 HydrophobicContact CD1-CG1 4.49Å; W126-I251 HydrophobicContact CZ2-CB 4.4Å; W126-I251 HydrophobicContact CZ2-CG1 4.15Å; W126-I251 HydrophobicContact CZ2-CG2 3.79Å; A174-I251 HydrophobicContact CB-CD1 3.96Å; F219-I251 HydrophobicContact CE1-CG2 4.26Å; F219-I251 HydrophobicContact CZ-CB 4.33Å; F219-I251 HydrophobicContact CZ-CD1 4.5Å; F219-I251 HydrophobicContact CZ-CG2 4.23Å; E247-I251 PolarHBondContact O-N 3.06Å; S248-I251 PolarHBondContact O-N 3.3Å; R249-I251 VanDerWaalsContact C-N 3.33Å; R249-I251 PolarHBondContact O-N 2.97Å; I251-D253 PolarHBondContact O-N 3.17Å; I251-F254 PolarHBondContact O-N 2.9Å; I251-V255 HydrophobicContact CG2-CG2 4.1Å; I251-V255 VanDerWaalsContact O-CB 3.28Å; I251-V255 WeakPolarHBondContact O-CB 3.36Å; I251-V255 VanDerWaalsContact O-CG2 3.24Å; I251-V255 WeakPolarHBondContact O-CG2 3.47Å; I251-V255 PolarHBondContact O-N 3.33Å; I251-F265 HydrophobicContact CG2-CE2 4.44Å
252R98.7Very high98.2Very high66 Ų6641 Ų4125%0.24921%0.21CC..Hα-helixtrans-52-53.1177.8179.8-159.368.8-167.4-2.8111.2F243 S248 R249 W256 W331F243-R252 HydrophobicContact CD1-CB 4.04Å; F243-R252 HydrophobicContact CD1-CG 4.28Å; F243-R252 HydrophobicContact CE1-CB 3.66Å; F243-R252 HydrophobicContact CE1-CG 3.77Å; F243-R252 VanDerWaalsContact CE2-CD 3.44Å; F243-R252 HydrophobicContact CE2-CG 4.09Å; F243-R252 HydrophobicContact CZ-CB 4.1Å; F243-R252 HydrophobicContact CZ-CG 3.67Å; S248-R252 WeakPolarHBondContact O-CB 3.11Å; S248-R252 PolarHBondContact O-N 3.23Å; R249-R252 WeakPolarHBondContact O-CB 3.46Å; R249-R252 PolarHBondContact O-N 2.97Å; R252-W256 WeakPolarHBondContact O-CB 3.35Å; R252-W256 PolarHBondContact O-N 2.86Å; R252-W331 HydrophobicContact CB-CH2 4.2Å; R252-W331 HydrophobicContact CB-CZ2 4.31Å; R252-W331 HydrophobicContact CG-CH2 3.8Å; R252-W331 HydrophobicContact CG-CZ2 3.48Å; R252-W331 VanDerWaalsContact CG-CZ2 3.48Å
253D98.8Very high98.1Very high79 Ų7942.5 Ų42.542%0.42221%0.212SC..Hα-helixtrans-66.9-43.8-172.4-68.6-16.3000111.3R249 I251 A257R249-D253 WeakPolarHBondContact O-CB 3.36Å; R249-D253 PolarHBondContact O-N 2.81Å; I251-D253 PolarHBondContact O-N 3.17Å; D253-A257 VanDerWaalsContact O-CB 3.29Å; D253-A257 WeakPolarHBondContact O-CB 3.26Å; D253-A257 PolarHBondContact O-N 3.38Å
254F98.7Very high98.2Very high29 Ų2941.8 Ų41.813%0.12721%0.209CC..Hα-helixtrans-65.4-48.8177.7-168-84.3000111.9H97 I99 T110 W126 Y169 A250 I251 A257 K258H97-F254 HydrophobicContact CB-CE2 4.46Å; I99-F254 HydrophobicContact CB-CB 4.3Å; I99-F254 HydrophobicContact CB-CD2 4.07Å; I99-F254 HydrophobicContact CB-CG 4.44Å; I99-F254 HydrophobicContact CG2-CB 4.24Å; I99-F254 HydrophobicContact CG2-CD2 3.26Å; I99-F254 HydrophobicContact CG2-CE2 3.67Å; I99-F254 HydrophobicContact CG2-CG 3.84Å; T110-F254 HydrophobicContact CG2-CE1 4.5Å; T110-F254 HydrophobicContact CG2-CZ 4.47Å; W126-F254 AromaticContact CE3-CD1 3.9Å; W126-F254 HydrophobicContact CE3-CD1 3.9Å; W126-F254 HydrophobicContact CE3-CE1 4.16Å; W126-F254 HydrophobicContact CH2-CD1 4.33Å; W126-F254 AromaticContact CZ3-CD1 3.37Å; W126-F254 HydrophobicContact CZ3-CD1 3.37Å; W126-F254 AromaticContact CZ3-CE1 3.8Å; W126-F254 HydrophobicContact CZ3-CE1 3.8Å; W126-F254 HydrophobicContact CZ3-CG 4.14Å; Y169-F254 AromaticContact CD1-CE1 3.68Å; Y169-F254 HydrophobicContact CD1-CE1 3.68Å; Y169-F254 AromaticContact CD1-CZ 3.6Å; Y169-F254 HydrophobicContact CD1-CZ 3.6Å; Y169-F254 HydrophobicContact CD2-CE1 4.05Å; Y169-F254 HydrophobicContact CE1-CE1 4.06Å; Y169-F254 AromaticContact CE1-CZ 3.72Å; Y169-F254 HydrophobicContact CE1-CZ 3.72Å; Y169-F254 HydrophobicContact CE2-CE1 4.39Å; Y169-F254 AromaticContact CG-CE1 3.68Å; Y169-F254 HydrophobicContact CG-CE1 3.68Å; Y169-F254 HydrophobicContact CG-CZ 4.11Å; A250-F254 WeakPolarHBondContact O-CB 3.25Å; A250-F254 PolarHBondContact O-N 2.96Å; A250-F254 VanDerWaalsContact O-N 3.16Å; I251-F254 PolarHBondContact O-N 2.9Å; F254-A257 PolarHBondContact O-N 3.22Å; F254-K258 HydrophobicContact CE1-CG 4.24Å; F254-K258 WeakPolarHBondContact O-CG 3.31Å; F254-K258 PolarHBondContact O-N 2.92Å
255V98.7Very high98.2Very high0 Ų040.9 Ų40.90%020%0.203CC..Hα-helixtrans-64-43.8179.7172.30000110.4W126 I251 A257 K258 R259 I262 F265 W331 A336 I338W126-V255 HydrophobicContact CD2-CG2 3.7Å; W126-V255 HydrophobicContact CE3-CG2 3.91Å; W126-V255 HydrophobicContact CG-CG2 4.1Å; W126-V255 HydrophobicContact CH2-CG2 4.45Å; W126-V255 HydrophobicContact CZ2-CG2 4.29Å; W126-V255 HydrophobicContact CZ3-CG2 4.29Å; I251-V255 HydrophobicContact CG2-CG2 4.1Å; I251-V255 VanDerWaalsContact O-CB 3.28Å; I251-V255 WeakPolarHBondContact O-CB 3.36Å; I251-V255 VanDerWaalsContact O-CG2 3.24Å; I251-V255 WeakPolarHBondContact O-CG2 3.47Å; I251-V255 PolarHBondContact O-N 3.33Å; V255-A257 PolarHBondContact O-N 2.97Å; V255-K258 CarbonylContact O-C 3.56Å; V255-K258 PolarHBondContact O-N 3.49Å; V255-K258 VanDerWaalsContact O-N 3.12Å; V255-R259 WeakPolarHBondContact O-CA 3.33Å; V255-R259 WeakPolarHBondContact O-CB 3.32Å; V255-R259 PolarHBondContact O-N 2.94Å; V255-I262 HydrophobicContact CG1-CD1 4.29Å; V255-I262 HydrophobicContact CG2-CD1 4.49Å; V255-F265 HydrophobicContact CG1-CD2 4.39Å; V255-F265 HydrophobicContact CG2-CD2 4.33Å; V255-F265 HydrophobicContact CG2-CE2 4.06Å; V255-W331 HydrophobicContact CB-CH2 4.39Å; V255-W331 HydrophobicContact CB-CZ3 4.18Å; V255-W331 HydrophobicContact CG1-CH2 4.29Å; V255-W331 HydrophobicContact CG1-CZ3 3.92Å; V255-A336 HydrophobicContact CG1-CB 4.29Å; V255-I338 HydrophobicContact CG1-CD1 3.61Å
256W98.5Very high98.2Very high110 Ų11040.7 Ų40.742%0.41720%0.202SC..Hα-helixtrans-61.2-44.2178.4-172.3-100.2000112.1R252 K258 R259 W331 A335 A336R252-W256 WeakPolarHBondContact O-CB 3.35Å; R252-W256 PolarHBondContact O-N 2.86Å; W256-K258 PolarHBondContact O-N 3.3Å; W256-R259 WeakPolarHBondContact O-CD 3.32Å; W256-R259 VanDerWaalsContact O-CG 3.25Å; W256-R259 WeakPolarHBondContact O-CG 3.36Å; W256-R259 PolarHBondContact O-N 3.12Å; W256-R259 PolarHBondContact O-NH1 2.94Å; W256-W331 HydrophobicContact CB-CH2 4.46Å; W256-W331 HydrophobicContact CE3-CH2 4.36Å; W256-W331 AromaticContact CE3-CZ2 3.91Å; W256-W331 HydrophobicContact CE3-CZ2 3.91Å; W256-A335 HydrophobicContact CZ3-CB 4.24Å; W256-A335 WeakPolarHBondContact CZ3-O 3.37Å; W256-A336 HydrophobicContact CE3-CB 4.45Å
257A97.9Very high98.2Very high74 Ų7439.6 Ų39.661%0.61220%0.195SC*.Hα-helixtrans-62.3-26.4177.400000112.9D253 F254 V255D253-A257 VanDerWaalsContact O-CB 3.29Å; D253-A257 WeakPolarHBondContact O-CB 3.26Å; D253-A257 PolarHBondContact O-N 3.38Å; F254-A257 PolarHBondContact O-N 3.22Å; V255-A257 PolarHBondContact O-N 2.97Å
258K96.7Very high98.2Very high77 Ų7739.6 Ų39.634%0.33520%0.195SC..Hα-helixtrans-109.45.7-177.2-62.3-68-175161.80113.8Y169 F254 V255 W256 S260 T261 I262Y169-K258 HydrophobicContact CE2-CG 4.4Å; Y169-K258 PolarHBondContact OH-NZ 3.43Å; F254-K258 HydrophobicContact CE1-CG 4.24Å; F254-K258 WeakPolarHBondContact O-CG 3.31Å; F254-K258 PolarHBondContact O-N 2.92Å; V255-K258 CarbonylContact O-C 3.56Å; V255-K258 PolarHBondContact O-N 3.49Å; V255-K258 VanDerWaalsContact O-N 3.12Å; W256-K258 PolarHBondContact O-N 3.3Å; K258-S260 PolarHBondContact O-N 3.39Å; K258-T261 PolarHBondContact O-N 3.46Å; K258-T261 PolarHBondContact O-OG1 3.2Å; K258-T261 VanDerWaalsContact O-OG1 3.08Å; K258-I262 HydrophobicContact CB-CD1 3.55Å; K258-I262 HydrophobicContact CB-CG1 3.9Å; K258-I262 WeakPolarHBondContact O-CG1 3.33Å; K258-I262 PolarHBondContact O-N 2.95Å
259R96.6Very high98.2Very high105 Ų10539.6 Ų39.640%0.39620%0.195SC..THydrogen-bonded Turntrans-59.6-25.6-171.273.7-169.7-178.3-77.80.9114.8V255 W256 T261 A336V255-R259 WeakPolarHBondContact O-CA 3.33Å; V255-R259 WeakPolarHBondContact O-CB 3.32Å; V255-R259 PolarHBondContact O-N 2.94Å; W256-R259 WeakPolarHBondContact O-CD 3.32Å; W256-R259 VanDerWaalsContact O-CG 3.25Å; W256-R259 WeakPolarHBondContact O-CG 3.36Å; W256-R259 PolarHBondContact O-N 3.12Å; W256-R259 PolarHBondContact O-NH1 2.94Å; R259-T261 VanDerWaalsContact C-N 3.32Å; R259-A336 HydrophobicContact CB-CB 4.27Å
260S95.4Very high98.1Very high89 Ų8935.6 Ų35.662%0.62218%0.18SC*.THydrogen-bonded Turntrans-69.2-30.5175.955.80000112.5K258 K263K258-S260 PolarHBondContact O-N 3.39Å; S260-K263 PolarHBondContact O-NZ 3.41Å
261T96.1Very high97.8Very high38 Ų3837.2 Ų37.223%0.23319%0.186CC..THydrogen-bonded Turntrans-100.7-31.8-179.760.90000112.8N123 A124 K258 R259 K263N123-T261 WeakPolarHBondContact CA-O 2.94Å; A124-T261 PolarHBondContact N-O 2.99Å; K258-T261 PolarHBondContact O-N 3.46Å; K258-T261 PolarHBondContact O-OG1 3.2Å; K258-T261 VanDerWaalsContact O-OG1 3.08Å; R259-T261 VanDerWaalsContact C-N 3.32Å; T261-K263 PolarHBondContact O-N 3.38Å; T261-K263 VanDerWaalsContact O-N 3.16Å
262I98.1Very high97.6Very high1 Ų138 Ų381%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-66.8114.9176.8-61.5169.2000109.7A124 W126 Y169 V255 K258 A264 I338A124-I262 HydrophobicContact CB-CB 4.46Å; A124-I262 HydrophobicContact CB-CG1 3.85Å; A124-I262 CarbonylContact O-C 3.44Å; A124-I262 WeakPolarHBondContact O-CA 3.34Å; W126-I262 HydrophobicContact CB-CD1 4.3Å; W126-I262 HydrophobicContact CB-CG2 4.01Å; Y169-I262 HydrophobicContact CD2-CG1 4.45Å; V255-I262 HydrophobicContact CG1-CD1 4.29Å; V255-I262 HydrophobicContact CG2-CD1 4.49Å; K258-I262 HydrophobicContact CB-CD1 3.55Å; K258-I262 HydrophobicContact CB-CG1 3.9Å; K258-I262 WeakPolarHBondContact O-CG1 3.33Å; K258-I262 PolarHBondContact O-N 2.95Å; I262-A264 WeakPolarHBondContact CG2-O 3.42Å; I262-I338 HydrophobicContact CB-CD1 4.24Å; I262-I338 HydrophobicContact CG2-CD1 3.71Å; I262-I338 HydrophobicContact CG2-CG1 4.28Å; I262-I338 HydrophobicContact CG2-CG2 4.19Å
263K98.1Very high97.5Very high72 Ų7235.6 Ų35.631%0.31318%0.183SC..EExtended strand (participates in β ladder)trans-105.7-17.9178.2-57.6-46.1-175.5-172.60113.4N123 A124 S260 T261 Y340 V381N123-K263 HydrophobicContact CB-CB 4.42Å; N123-K263 HydrophobicContact CB-CG 3.69Å; N123-K263 WeakPolarHBondContact ND2-CG 3.06Å; N123-K263 VanDerWaalsContact OD1-CE 3.23Å; N123-K263 WeakPolarHBondContact OD1-CE 3.44Å; A124-K263 PolarHBondContact O-N 3.42Å; S260-K263 PolarHBondContact O-NZ 3.41Å; T261-K263 PolarHBondContact O-N 3.38Å; T261-K263 VanDerWaalsContact O-N 3.16Å; K263-Y340 WeakPolarHBondContact O-CD2 3.46Å; K263-Y340 PolarHBondContact O-N 3.33Å; K263-V381 HydrophobicContact CB-CG1 3.86Å; K263-V381 HydrophobicContact CB-CG2 4.31Å; K263-V381 HydrophobicContact CG-CG1 4.36Å
264A98.8Very high97.5Very high0 Ų031.9 Ų31.90%016%0.163CC..EExtended strand (participates in β ladder)trans-131140171.400000111.9A124 I125 W126 I262 Y340 V377 V381A124-A264 PolarHBondContact O-N 3.17Å; I125-A264 WeakPolarHBondContact CA-O 3.13Å; I125-A264 HydrophobicContact CB-CB 4.48Å; I125-A264 HydrophobicContact CG1-CB 4.14Å; I125-A264 HydrophobicContact CG2-CB 4.09Å; W126-A264 PolarHBondContact N-O 3.41Å; I262-A264 WeakPolarHBondContact CG2-O 3.42Å; A264-Y340 CarbonylContact C-O 3.49Å; A264-Y340 WeakPolarHBondContact CA-O 3.27Å; A264-Y340 WeakPolarHBondContact CB-O 3.2Å; A264-V377 HydrophobicContact CB-CG1 3.91Å; A264-V381 HydrophobicContact CB-CG2 3.85Å
265F98.9Very high97.5Very high0 Ų030.5 Ų30.50%016%0.157CC..EExtended strand (participates in β ladder)trans-126.1120174.1179.8-77.8000107.8W126 D128 I251 V255 T267 S332 I338 Y340 V341 Y342W126-F265 HydrophobicContact CB-CD2 4.15Å; W126-F265 AromaticContact CD1-CD2 3.16Å; W126-F265 AromaticContact CD1-CE2 3.15Å; W126-F265 AromaticContact CD1-CG 3.84Å; W126-F265 AromaticContact CD1-CZ 3.83Å; W126-F265 AromaticContact CG-CD2 3.77Å; W126-F265 HydrophobicContact CG-CD2 3.77Å; W126-F265 AromaticContact CG-CE2 3.99Å; W126-F265 HydrophobicContact CG-CE2 3.99Å; W126-F265 AromaticContact NE1-CD2 3.81Å; W126-F265 AromaticContact NE1-CE2 3.26Å; W126-F265 VanDerWaalsContact NE1-CE2 3.26Å; W126-F265 AromaticContact NE1-CZ 3.73Å; D128-F265 VanDerWaalsContact OD2-CZ 3.27Å; D128-F265 WeakPolarHBondContact OD2-CZ 3.43Å; I251-F265 HydrophobicContact CG2-CE2 4.44Å; V255-F265 HydrophobicContact CG1-CD2 4.39Å; V255-F265 HydrophobicContact CG2-CD2 4.33Å; V255-F265 HydrophobicContact CG2-CE2 4.06Å; F265-T267 HydrophobicContact CE1-CG2 4.05Å; F265-S332 WeakPolarHBondContact CD2-OG 3.19Å; F265-S332 WeakPolarHBondContact CE2-OG 3.38Å; F265-S332 WeakPolarHBondContact CZ-OG 3.47Å; F265-I338 HydrophobicContact CB-CD1 4.02Å; F265-I338 HydrophobicContact CB-CG2 4.04Å; F265-I338 HydrophobicContact CD2-CD1 4.25Å; F265-Y340 PolarHBondContact N-O 3.35Å; F265-V341 HydrophobicContact CB-CG1 4.42Å; F265-V341 HydrophobicContact CB-CG2 4.21Å; F265-V341 HydrophobicContact CD1-CG1 4.12Å; F265-V341 CarbonylContact O-C 3.49Å; F265-V341 WeakPolarHBondContact O-CA 3.37Å; F265-Y342 PolarHBondContact O-N 2.92Å
266I98.9Very high97.5Very high0 Ų030.7 Ų30.70%016%0.158CC..EExtended strand (participates in β ladder)trans-126.1113.8-179.2-55.4178000108.5W126 I127 D128 I268 Y342 L344 I374 V377W126-I266 PolarHBondContact O-N 3.07Å; I127-I266 VanDerWaalsContact CA-O 3.24Å; I127-I266 WeakPolarHBondContact CA-O 3.31Å; I127-I266 HydrophobicContact CG1-CB 4.39Å; D128-I266 PolarHBondContact N-O 3.2Å; I266-I268 HydrophobicContact CG2-CG1 4.21Å; I266-Y342 VanDerWaalsContact CA-O 3.31Å; I266-Y342 WeakPolarHBondContact CA-O 3.5Å; I266-L344 HydrophobicContact CG2-CD1 3.72Å; I266-L344 HydrophobicContact CG2-CG 3.91Å; I266-I374 HydrophobicContact CD1-CG1 4.1Å; I266-I374 HydrophobicContact CD1-CG2 4.14Å; I266-I374 HydrophobicContact CG2-CD1 4.45Å; I266-V377 HydrophobicContact CD1-CB 4.33Å; I266-V377 HydrophobicContact CD1-CG1 4.26Å; I266-V377 HydrophobicContact CD1-CG2 4.42Å
267T98.9Very high97.5Very high0 Ų025.7 Ų25.70%014%0.139CC..EExtended strand (participates in β ladder)trans-102.8123.1172.4-176.20000109.2D128 F265 H269 D329 Y342 L343 L344D128-T267 VanDerWaalsContact OD1-CB 3.31Å; D128-T267 WeakPolarHBondContact OD1-CB 3.5Å; D128-T267 PolarHBondContact OD1-OG1 2.81Å; F265-T267 HydrophobicContact CE1-CG2 4.05Å; T267-H269 PolarHBondContact OG1-NE2 3.36Å; T267-D329 HydrophobicContact CG2-CB 4.38Å; T267-Y342 PolarHBondContact N-O 3.31Å; T267-L343 HydrophobicContact CG2-CB 3.84Å; T267-L343 HydrophobicContact CG2-CD1 3.94Å; T267-L343 HydrophobicContact CG2-CG 3.84Å; T267-L343 WeakPolarHBondContact O-CA 3.36Å; T267-L344 PolarHBondContact O-N 3.29Å
268I98.9Very high97.5Very high0 Ų022.1 Ų22.10%011%0.11CC..EExtended strand (participates in β ladder)trans-100.2122.8-172.9-52.2178.7000109.2I127 D128 A129 S138 I145 I266 L344 L346 I374I127-I268 HydrophobicContact CG2-CD1 3.62Å; I127-I268 HydrophobicContact CG2-CG1 4.08Å; D128-I268 PolarHBondContact O-N 2.96Å; A129-I268 HydrophobicContact CB-CB 4.09Å; S138-I268 VanDerWaalsContact CB-O 3.27Å; S138-I268 WeakPolarHBondContact CB-O 3.5Å; I145-I268 HydrophobicContact CD1-CD1 4.02Å; I266-I268 HydrophobicContact CG2-CG1 4.21Å; I268-L344 HydrophobicContact CG1-CD1 4.45Å; I268-L346 HydrophobicContact CG2-CD1 3.57Å; I268-L346 HydrophobicContact CG2-CD2 4.26Å; I268-L346 HydrophobicContact CG2-CG 3.86Å; I268-I374 HydrophobicContact CD1-CD1 4.08Å
269H98.4Very high97.5Very high0 Ų020.1 Ų20.10%010%0.1CC..EExtended strand (participates in β ladder)trans-127.5171.2179.7-75.2-81.8000111.3M131 H132 E135 T267 L343 L344 E345 L346M131-H269 VanDerWaalsContact CE-NE2 3.31Å; M131-H269 WeakPolarHBondContact CE-NE2 3.32Å; H132-H269 AromaticContact CE1-CE1 3.2Å; H132-H269 PolarHBondContact CE1-CE1 3.05Å; H132-H269 AromaticContact CE1-ND1 3.35Å; H132-H269 PolarHBondContact CE1-ND1 2.84Å; H132-H269 VanDerWaalsContact CE1-ND1 3.35Å; H132-H269 AromaticContact ND1-CE1 3.37Å; H132-H269 PolarHBondContact ND1-CE1 3.14Å; H132-H269 AromaticContact ND1-ND1 3.13Å; H132-H269 PolarHBondContact ND1-ND1 3.31Å; H132-H269 VanDerWaalsContact ND1-ND1 3.13Å; H132-H269 AromaticContact NE2-CE1 3.83Å; E135-H269 IonicContact OE1-ND1 3.58Å; E135-H269 WeakPolarHBondContact OE2-CA 3.46Å; E135-H269 WeakPolarHBondContact OE2-CB 2.99Å; E135-H269 IonicContact OE2-CG 2.63Å; E135-H269 IonicContact OE2-ND1 2.72Å; E135-H269 PolarHBondContact OE2-ND1 3.21Å; T267-H269 PolarHBondContact OG1-NE2 3.36Å; H269-L343 HydrophobicContact CB-CD2 4.49Å; H269-L344 CarbonylContact C-O 3.53Å; H269-L344 VanDerWaalsContact CA-O 3.28Å; H269-L344 WeakPolarHBondContact CA-O 3.07Å; H269-L344 WeakPolarHBondContact CB-O 3.24Å; H269-L344 PolarHBondContact N-O 3.18Å; H269-E345 WeakPolarHBondContact CB-OE2 3.46Å; H269-L346 WeakPolarHBondContact O-CG 3.5Å; H269-L346 PolarHBondContact O-N 2.67Å
270T96.3Very high97.6Very high2 Ų215.4 Ų15.41%0.0128%0.083CC..EExtended strand (participates in β ladder)trans-141152.9165.471.20000109.5E135 A137 E345 L346 F356E135-T270 WeakPolarHBondContact CA-OG1 3.22Å; E135-T270 HydrophobicContact CB-CG2 4.43Å; E135-T270 VanDerWaalsContact CB-OG1 3.24Å; E135-T270 WeakPolarHBondContact CB-OG1 3.49Å; E135-T270 VanDerWaalsContact CG-O 3.24Å; E135-T270 WeakPolarHBondContact CG-O 3.47Å; E135-T270 WeakPolarHBondContact CG-OG1 3.42Å; E135-T270 PolarHBondContact OE2-N 3.01Å; A137-T270 HydrophobicContact CB-CG2 4.06Å; T270-E345 VanDerWaalsContact CA-OE2 3.22Å; T270-E345 WeakPolarHBondContact CA-OE2 3.29Å; T270-E345 PolarHBondContact N-OE2 3.01Å; T270-L346 HydrophobicContact CG2-CB 3.95Å; T270-L346 HydrophobicContact CG2-CG 4.41Å; T270-F356 VanDerWaalsContact O-CE1 3.26Å; T270-F356 WeakPolarHBondContact O-CE1 3.31Å
271Y94.1Very high97.7Very high39 Ų3912.1 Ų12.115%0.1536%0.058CC..SBendcis-128.8162.63.763.7-84.5000108.9D4 E345 L346 P348 G355 F356D4-Y271 PolarHBondContact OD2-OH 3.34Å; Y271-E345 PolarHBondContact N-OE2 3.24Å; Y271-L346 WeakPolarHBondContact CA-O 3.26Å; Y271-P348 WeakPolarHBondContact CB-O 3.49Å; Y271-P348 HydrophobicContact CD2-CG 4.12Å; Y271-P348 HydrophobicContact CG-CG 4.13Å; Y271-G355 VanDerWaalsContact CE1-CA 3.43Å; Y271-F356 AromaticContact CD1-CD1 3.76Å; Y271-F356 HydrophobicContact CD1-CD1 3.76Å; Y271-F356 AromaticContact CD1-CE1 3.58Å; Y271-F356 HydrophobicContact CD1-CE1 3.58Å; Y271-F356 HydrophobicContact CD1-CE2 4.33Å; Y271-F356 HydrophobicContact CD1-CG 4.23Å; Y271-F356 AromaticContact CD1-CZ 3.86Å; Y271-F356 HydrophobicContact CD1-CZ 3.86Å; Y271-F356 HydrophobicContact CE1-CD1 4.16Å; Y271-F356 HydrophobicContact CE1-CD2 4.12Å; Y271-F356 AromaticContact CE1-CE1 3.82Å; Y271-F356 HydrophobicContact CE1-CE1 3.82Å; Y271-F356 AromaticContact CE1-CE2 3.76Å; Y271-F356 HydrophobicContact CE1-CE2 3.76Å; Y271-F356 HydrophobicContact CE1-CG 4.29Å; Y271-F356 AromaticContact CE1-CZ 3.59Å; Y271-F356 HydrophobicContact CE1-CZ 3.59Å
272S94.4Very high97.7Very high16 Ų1616.5 Ų16.511%0.1127%0.074CC..SBendtrans159.3-3.9162.4-77.60000112.7L346 P348 E350S272-L346 PolarHBondContact N-O 2.93Å; S272-P348 WeakPolarHBondContact CA-O 3.27Å; S272-P348 PolarHBondContact N-O 2.67Å; S272-E350 WeakPolarHBondContact OG-CG 3.49Å
273Q96.8Very high97.7Very high17 Ų1722.1 Ų22.18%0.07910%0.095CC..  trans57.756.9-172-59.5177.5178.300112.5T310 V311 F312 K313 E345 L346 R347 D349Q273-T310 VanDerWaalsContact CD-CG2 3.48Å; Q273-T310 HydrophobicContact CG-CG2 4.19Å; Q273-T310 VanDerWaalsContact OE1-CG2 3.31Å; Q273-V311 WeakPolarHBondContact CB-O 3.44Å; Q273-V311 PolarHBondContact NE2-O 3.29Å; Q273-F312 VanDerWaalsContact C-CD1 3.43Å; Q273-F312 HydrophobicContact CB-CD1 4.43Å; Q273-F312 HydrophobicContact CB-CD2 3.79Å; Q273-F312 HydrophobicContact CB-CE1 4.48Å; Q273-F312 HydrophobicContact CB-CE2 3.84Å; Q273-F312 HydrophobicContact CB-CG 4.1Å; Q273-F312 HydrophobicContact CB-CZ 4.2Å; Q273-F312 HydrophobicContact CG-CD2 4.27Å; Q273-F312 HydrophobicContact CG-CE2 3.89Å; Q273-F312 HydrophobicContact CG-CZ 4.31Å; Q273-F312 CarbonylContact O-C 3.26Å; Q273-F312 WeakPolarHBondContact O-CA 3.43Å; Q273-K313 PolarHBondContact O-N 3.45Å; Q273-E345 CarbonylContact C-O 3.56Å; Q273-E345 WeakPolarHBondContact CA-O 3.34Å; Q273-E345 PolarHBondContact N-O 3.34Å; Q273-L346 PolarHBondContact N-O 2.9Å; Q273-L346 VanDerWaalsContact N-O 3.12Å; Q273-R347 HydrophobicContact CG-CG 4.2Å; Q273-D349 HydrophobicContact CG-CB 4.26Å
274L97.7Very high97.6Very high1 Ų125.5 Ų25.51%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-118.8139.4179.6-49.3176.3000111.1I276 K313 L320 L321 L344 E345L274-I276 HydrophobicContact CB-CD1 3.97Å; L274-I276 HydrophobicContact CB-CG1 4Å; L274-I276 HydrophobicContact CD1-CD1 4.08Å; L274-K313 HydrophobicContact CD2-CB 3.78Å; L274-K313 HydrophobicContact CD2-CD 3.98Å; L274-K313 HydrophobicContact CD2-CG 4.24Å; L274-L320 HydrophobicContact CB-CD1 4.43Å; L274-L320 HydrophobicContact CD1-CB 4.5Å; L274-L320 HydrophobicContact CD2-CD1 4.36Å; L274-L321 HydrophobicContact CD1-CD1 3.79Å; L274-L321 HydrophobicContact CD1-CD2 3.49Å; L274-L321 VanDerWaalsContact CD1-CD2 3.49Å; L274-L321 HydrophobicContact CD1-CG 3.54Å; L274-L344 WeakPolarHBondContact O-CA 3.08Å; L274-E345 HydrophobicContact CB-CB 3.92Å; L274-E345 HydrophobicContact CB-CG 4.21Å; L274-E345 HydrophobicContact CD1-CG 4.3Å; L274-E345 HydrophobicContact CG-CB 4.22Å; L274-E345 HydrophobicContact CG-CG 4.5Å; L274-E345 PolarHBondContact N-O 2.99Å; L274-E345 PolarHBondContact O-N 3.33Å
275W98.6Very high97.5Very high0 Ų027 Ų270%012%0.121CC..EExtended strand (participates in β ladder)trans-113.593.4170.3-164.9-60.6000108A297 A300 T301 F312 K313 V314 G315 Y342 L344 I374 V377W275-A297 VanDerWaalsContact CD1-CB 3.41Å; W275-A297 HydrophobicContact CG-CB 4.16Å; W275-A300 HydrophobicContact CD2-CB 4.38Å; W275-A300 HydrophobicContact CE3-CB 4.29Å; W275-A300 HydrophobicContact CH2-CB 3.51Å; W275-A300 HydrophobicContact CZ2-CB 3.56Å; W275-A300 HydrophobicContact CZ3-CB 3.88Å; W275-T301 HydrophobicContact CB-CG2 3.59Å; W275-T301 HydrophobicContact CD2-CG2 3.94Å; W275-T301 HydrophobicContact CE3-CG2 3.75Å; W275-T301 HydrophobicContact CG-CG2 3.9Å; W275-F312 HydrophobicContact CB-CD1 4.41Å; W275-K313 PolarHBondContact N-O 3.13Å; W275-V314 HydrophobicContact CB-CG2 4.2Å; W275-V314 WeakPolarHBondContact O-CA 3.36Å; W275-G315 PolarHBondContact O-N 3.47Å; W275-Y342 AromaticContact CD1-CD1 3.49Å; W275-Y342 VanDerWaalsContact CD1-CD1 3.49Å; W275-Y342 AromaticContact CD1-CG 3.97Å; W275-Y342 HydrophobicContact CZ2-CD2 4.35Å; W275-Y342 HydrophobicContact CZ2-CG 4.46Å; W275-Y342 AromaticContact NE1-CD1 3.07Å; W275-Y342 AromaticContact NE1-CD2 3.75Å; W275-Y342 AromaticContact NE1-CE1 3.52Å; W275-Y342 AromaticContact NE1-CG 3.2Å; W275-L344 HydrophobicContact CB-CD2 4.38Å; W275-L344 HydrophobicContact CD2-CD2 3.32Å; W275-L344 HydrophobicContact CE3-CD2 3.46Å; W275-L344 VanDerWaalsContact CE3-CD2 3.46Å; W275-L344 HydrophobicContact CG-CD2 3.77Å; W275-L344 HydrophobicContact CH2-CD1 4.25Å; W275-L344 HydrophobicContact CH2-CD2 3.94Å; W275-L344 HydrophobicContact CZ2-CD2 3.84Å; W275-L344 HydrophobicContact CZ3-CD1 4.25Å; W275-L344 HydrophobicContact CZ3-CD2 3.77Å; W275-I374 HydrophobicContact CH2-CG1 4.49Å; W275-V377 HydrophobicContact CH2-CG2 4.37Å; W275-V377 HydrophobicContact CZ2-CG2 3.7Å
276I98.6Very high97.5Very high3 Ų331.3 Ų31.32%0.01514%0.138CC..EExtended strand (participates in β ladder)trans-92.9131.7-169.6-71.7161.1000110.2L274 G315 G317 L320 L321 Y342 L343 E345L274-I276 HydrophobicContact CB-CD1 3.97Å; L274-I276 HydrophobicContact CB-CG1 4Å; L274-I276 HydrophobicContact CD1-CD1 4.08Å; I276-G315 VanDerWaalsContact CA-O 3.29Å; I276-G315 WeakPolarHBondContact CA-O 3.47Å; I276-G317 VanDerWaalsContact CG2-N 3.32Å; I276-L320 HydrophobicContact CG1-CD1 4.04Å; I276-L321 HydrophobicContact CD1-CD1 3.86Å; I276-Y342 CarbonylContact O-C 3.4Å; I276-Y342 WeakPolarHBondContact O-CA 3.49Å; I276-L343 WeakPolarHBondContact CA-O 3.38Å; I276-L343 HydrophobicContact CB-CB 4.1Å; I276-L343 HydrophobicContact CB-CD2 4.33Å; I276-L343 WeakPolarHBondContact CB-O 3.48Å; I276-L343 HydrophobicContact CD1-CD2 3.75Å; I276-L343 HydrophobicContact CG2-CB 4.24Å; I276-L343 PolarHBondContact N-O 2.66Å; I276-L343 PolarHBondContact O-N 3.16Å; I276-E345 HydrophobicContact CD1-CG 4.28Å
277H98.4Very high97.4Very high5 Ų531.7 Ų31.72%0.02314%0.14CC..EExtended strand (participates in β ladder)trans-107.3159165.362.270.7000110.1L290 G315 S316 Y342H277-L290 WeakPolarHBondContact CE1-CD1 3.37Å; H277-G315 PolarHBondContact CD2-O 2.67Å; H277-G315 PolarHBondContact N-O 3.45Å; H277-G315 WeakPolarHBondContact NE2-CA 3.29Å; H277-S316 PolarHBondContact CE1-N 3.27Å; H277-S316 VanDerWaalsContact O-CA 3.29Å; H277-S316 WeakPolarHBondContact O-CA 2.99Å; H277-Y342 HydrophobicContact CB-CD1 4.25Å; H277-Y342 HydrophobicContact CB-CE1 4.27Å
278P98.3Very high97.3Very high0 Ų039.9 Ų39.90%018%0.184CC..SBendtrans-59.5155.8173.4-26.835.6000113.3P287 K333 V341P278-P287 WeakPolarHBondContact O-CD 3.2Å; P278-K333 HydrophobicContact CB-CB 4.06Å; P278-K333 HydrophobicContact CB-CG 3.95Å; P278-K333 HydrophobicContact CG-CB 3.71Å; P278-K333 HydrophobicContact CG-CG 3.89Å; P278-V341 VanDerWaalsContact CD-O 3.31Å; P278-V341 WeakPolarHBondContact CD-O 3.39Å; P278-V341 HydrophobicContact CG-CB 3.9Å; P278-V341 HydrophobicContact CG-CG1 3.85Å
279Y98.1Very high97.2Very high35 Ų3541.9 Ų41.914%0.13720%0.195CC..  cis-101.3149.8-1.1-68-73.3000113.4F221 H281 T285 P287 S316 D330 K333 N334F221-Y279 AromaticContact CE1-CD1 3.89Å; F221-Y279 HydrophobicContact CE1-CD1 3.89Å; F221-Y279 HydrophobicContact CE1-CE1 4.45Å; F221-Y279 HydrophobicContact CE2-CD1 4.1Å; F221-Y279 AromaticContact CE2-CE1 3.86Å; F221-Y279 HydrophobicContact CE2-CE1 3.86Å; F221-Y279 AromaticContact CZ-CD1 3.35Å; F221-Y279 HydrophobicContact CZ-CD1 3.35Å; F221-Y279 AromaticContact CZ-CE1 3.58Å; F221-Y279 HydrophobicContact CZ-CE1 3.58Å; F221-Y279 HydrophobicContact CZ-CG 4.13Å; Y279-H281 WeakPolarHBondContact CB-ND1 3.32Å; Y279-T285 PolarHBondContact N-O 2.91Å; Y279-P287 HydrophobicContact CE2-CB 4.16Å; Y279-S316 WeakPolarHBondContact O-CB 3.43Å; Y279-D330 WeakPolarHBondContact CA-OD1 3.42Å; Y279-D330 HydrophobicContact CD1-CB 4.09Å; Y279-D330 WeakPolarHBondContact CD1-OD1 3.46Å; Y279-K333 HydrophobicContact CE1-CB 4.28Å; Y279-K333 HydrophobicContact CE1-CG 4.14Å; Y279-N334 HydrophobicContact CE1-CB 4.02Å
280S98Very high97.1Very high5 Ų543.6 Ų43.64%0.03520%0.204CC..  trans-98.3-24.1179.6-64.80000113.1K282 A318 P323 S324 D329 D330S280-K282 VanDerWaalsContact C-N 3.33Å; S280-K282 PolarHBondContact O-N 3Å; S280-A318 WeakPolarHBondContact O-CB 3.46Å; S280-P323 CarbonylContact O-C 3.58Å; S280-P323 VanDerWaalsContact O-CA 3.31Å; S280-P323 WeakPolarHBondContact O-CA 3.38Å; S280-S324 CarbonylContact C-O 3.39Å; S280-S324 PolarHBondContact O-N 3.41Å; S280-D329 PolarHBondContact OG-OD2 3.1Å; S280-D330 WeakPolarHBondContact CA-OD2 3.33Å; S280-D330 VanDerWaalsContact N-CG 3.29Å; S280-D330 PolarHBondContact N-OD1 2.91Å; S280-D330 PolarHBondContact N-OD2 3.02Å
281H97.3Very high97.2Very high21 Ų2148.4 Ų48.410%0.09724%0.235CC..SBendtrans-63.6-26.8-17776.1-64.1000116.2F221 Y222 Y279 T285 P323 S324 A325 D330F221-H281 HydrophobicContact CD1-CB 4.24Å; F221-H281 HydrophobicContact CE1-CB 3.72Å; F221-H281 AromaticContact CE1-CG 3.53Å; F221-H281 AromaticContact CE1-ND1 3.32Å; F221-H281 VanDerWaalsContact CE1-ND1 3.32Å; F221-H281 WeakPolarHBondContact CE1-ND1 3.39Å; F221-H281 AromaticContact CZ-CE1 3.95Å; F221-H281 AromaticContact CZ-ND1 3.62Å; Y222-H281 HydrophobicContact CD2-CB 4.17Å; Y222-H281 AromaticContact CD2-CD2 3.39Å; Y222-H281 WeakPolarHBondContact CD2-CD2 3.5Å; Y222-H281 AromaticContact CD2-CG 3.68Å; Y222-H281 AromaticContact CD2-NE2 3.9Å; Y222-H281 AromaticContact CE2-CD2 3.42Å; Y222-H281 VanDerWaalsContact CE2-CD2 3.42Å; Y222-H281 WeakPolarHBondContact CE2-CD2 3.27Å; Y222-H281 AromaticContact CE2-CE1 3.97Å; Y222-H281 AromaticContact CE2-NE2 3.42Å; Y222-H281 WeakPolarHBondContact CE2-NE2 3.37Å; Y222-H281 HydrophobicContact CG-CB 4.33Å; Y222-H281 AromaticContact CG-CD2 3.68Å; Y222-H281 AromaticContact CZ-CD2 3.74Å; Y222-H281 AromaticContact CZ-NE2 3.64Å; Y279-H281 WeakPolarHBondContact CB-ND1 3.32Å; H281-T285 PolarHBondContact CE1-OG1 2.7Å; H281-P323 WeakPolarHBondContact O-CB 3.36Å; H281-S324 VanDerWaalsContact CA-O 3.22Å; H281-S324 WeakPolarHBondContact CA-O 3.42Å; H281-S324 PolarHBondContact N-O 2.95Å; H281-S324 VanDerWaalsContact N-O 3.14Å; H281-A325 HydrophobicContact CB-CB 4.19Å; H281-D330 PolarHBondContact N-OD2 2.97Å
282K97.2Very high97.4Very high129 Ų12948.4 Ų48.456%0.56124%0.238SC*.SBendtrans-154.6138.2-174.5-174.7178.5174.3-176.60111.8S280 T285 A318S280-K282 VanDerWaalsContact C-N 3.33Å; S280-K282 PolarHBondContact O-N 3Å; K282-T285 HydrophobicContact CB-CG2 3.87Å; K282-T285 HydrophobicContact CD-CG2 3.89Å; K282-T285 HydrophobicContact CG-CG2 3.92Å; K282-T285 PolarHBondContact O-N 3.4Å; K282-T285 PolarHBondContact O-OG1 3.04Å; K282-A318 WeakPolarHBondContact O-CB 3.3Å
283R97.1Very high97.5Very high120 Ų12047.6 Ų47.645%0.45323%0.232SC..THydrogen-bonded Turntrans-59.6148.2176.2-75.6-173.6177.4-179.21.5112T285 A318 D319 P323R283-T285 PolarHBondContact O-N 3.33Å; R283-A318 HydrophobicContact CG-CB 4Å; R283-A318 VanDerWaalsContact CG-O 3.27Å; R283-A318 WeakPolarHBondContact CG-O 3.32Å; R283-A318 PolarHBondContact NE-O 3.47Å; R283-A318 VanDerWaalsContact NE-O 3.15Å; R283-D319 WeakPolarHBondContact CA-OD1 3.2Å; R283-D319 WeakPolarHBondContact CB-OD1 3.35Å; R283-D319 WeakPolarHBondContact CG-OD1 3.16Å; R283-P323 HydrophobicContact CG-CG 4.22Å
284H96.9Very high97.6Very high143 Ų14353.1 Ų53.166%0.66225%0.252SS*.THydrogen-bonded Turntrans54.731.7179.5-49.4-51.7000113.9Y286 D319H284-Y286 HydrophobicContact CB-CE2 4.42Å; H284-Y286 PolarHBondContact ND1-OH 2.91Å; H284-D319 IonicContact CE1-OD1 2.74Å; H284-D319 PolarHBondContact N-OD1 3.46Å; H284-D319 IonicContact ND1-OD1 2.83Å
285T96.5Very high97.6Very high32 Ų3255.9 Ų55.920%0.19627%0.272CS..  trans-117.1126.8169.966.20000109.4Y279 H281 K282 R283Y279-T285 PolarHBondContact N-O 2.91Å; H281-T285 PolarHBondContact CE1-OG1 2.7Å; K282-T285 HydrophobicContact CB-CG2 3.87Å; K282-T285 HydrophobicContact CD-CG2 3.89Å; K282-T285 HydrophobicContact CG-CG2 3.92Å; K282-T285 PolarHBondContact O-N 3.4Å; K282-T285 PolarHBondContact O-OG1 3.04Å; R283-T285 PolarHBondContact O-N 3.33Å
286Y97.5Very high97.6Very high89 Ų8955.9 Ų55.935%0.34927%0.272SS..  trans-139.6150.9-171.5-48.4-69.3000109.9H284 L290 D319H284-Y286 HydrophobicContact CB-CE2 4.42Å; H284-Y286 PolarHBondContact ND1-OH 2.91Å; Y286-L290 HydrophobicContact CD1-CD1 4.42Å; Y286-L290 HydrophobicContact CD1-CD2 4.05Å; Y286-L290 HydrophobicContact CD2-CD2 4.13Å; Y286-L290 HydrophobicContact CG-CD2 3.74Å; Y286-D319 WeakPolarHBondContact CE1-OD2 3.33Å; Y286-D319 VanDerWaalsContact CZ-OD2 3.24Å; Y286-D319 PolarHBondContact OH-OD2 3.34Å
287P97Very high97.6Very high9 Ų955.8 Ų55.86%0.05827%0.271CS..  trans-71.3154.7169.532.5-37.1000111.1P278 Y279 D289 L290 L293 K333P278-P287 WeakPolarHBondContact O-CD 3.2Å; Y279-P287 HydrophobicContact CE2-CB 4.16Å; P287-D289 WeakPolarHBondContact CB-OD1 3.48Å; P287-D289 PolarHBondContact O-N 3.42Å; P287-D289 VanDerWaalsContact O-N 3.14Å; P287-L290 WeakPolarHBondContact O-CB 3.25Å; P287-L290 PolarHBondContact O-N 3.35Å; P287-L293 HydrophobicContact CG-CD1 3.54Å; P287-K333 HydrophobicContact CB-CD 4.45Å; P287-K333 HydrophobicContact CB-CG 4.33Å
288D96.9Very high97.7Very high171 Ų17158.7 Ų58.791%0.91429%0.286SS*.THydrogen-bonded Turntrans-60.6-26.7-176.7-59.5-29.6000113.4L290D288-L290 VanDerWaalsContact C-N 3.31Å; D288-L290 PolarHBondContact O-N 3.44Å
289D96.5Very high97.7Very high42 Ų4263 Ų6323%0.22530%0.302CS..THydrogen-bonded Turntrans-92.319.8178.666.7-20.9000113.7P287 P291 D292 L293 K333 K339P287-D289 WeakPolarHBondContact CB-OD1 3.48Å; P287-D289 PolarHBondContact O-N 3.42Å; P287-D289 VanDerWaalsContact O-N 3.14Å; D289-P291 VanDerWaalsContact C-N 3.31Å; D289-D292 PolarHBondContact O-N 2.99Å; D289-D292 VanDerWaalsContact O-N 3.14Å; D289-L293 PolarHBondContact O-N 3.04Å; D289-L293 VanDerWaalsContact O-N 3.16Å; D289-L293 WeakPolarHBondContact OD1-CD1 3.36Å; D289-K333 WeakPolarHBondContact OD1-CE 3.26Å; D289-K333 IonicContact OD1-NZ 3.66Å; D289-K333 PolarHBondContact OD1-NZ 2.83Å; D289-K333 IonicContact OD2-NZ 3.47Å; D289-K333 PolarHBondContact OD2-NZ 3.38Å; D289-K339 WeakPolarHBondContact OD2-CG 3.39Å
290L97.8Very high97.7Very high37 Ų3761.3 Ų61.319%0.19430%0.296CS..Hα-helixtrans-47-43.6176.6176.267.8000113.8H277 Y286 P287 D288 D292 L293 R294H277-L290 WeakPolarHBondContact CE1-CD1 3.37Å; Y286-L290 HydrophobicContact CD1-CD1 4.42Å; Y286-L290 HydrophobicContact CD1-CD2 4.05Å; Y286-L290 HydrophobicContact CD2-CD2 4.13Å; Y286-L290 HydrophobicContact CG-CD2 3.74Å; P287-L290 WeakPolarHBondContact O-CB 3.25Å; P287-L290 PolarHBondContact O-N 3.35Å; D288-L290 VanDerWaalsContact C-N 3.31Å; D288-L290 PolarHBondContact O-N 3.44Å; L290-D292 VanDerWaalsContact C-N 3.31Å; L290-D292 PolarHBondContact O-N 2.9Å; L290-L293 PolarHBondContact O-N 3.07Å; L290-R294 HydrophobicContact CD1-CB 4.31Å; L290-R294 VanDerWaalsContact O-CB 3.23Å; L290-R294 WeakPolarHBondContact O-CB 3.49Å; L290-R294 PolarHBondContact O-N 2.66Å
291P98Very high97.7Very high102 Ų10261.8 Ų61.866%0.66230%0.298SS*.Hα-helixtrans-57.2-41.5-178.9-27.436.6000113.7D289 S295D289-P291 VanDerWaalsContact C-N 3.31Å; P291-S295 VanDerWaalsContact O-CB 3.24Å; P291-S295 WeakPolarHBondContact O-CB 3.37Å; P291-S295 PolarHBondContact O-N 3Å
292D97.5Very high97.8Very high39 Ų3966.2 Ų66.221%0.20932%0.319CS..Hα-helixtrans-76.4-40.2-178.8-166.521.1000111.5D289 L290 T296 K339 Y340 K380D289-D292 PolarHBondContact O-N 2.99Å; D289-D292 VanDerWaalsContact O-N 3.14Å; L290-D292 VanDerWaalsContact C-N 3.31Å; L290-D292 PolarHBondContact O-N 2.9Å; D292-T296 WeakPolarHBondContact O-CB 3.49Å; D292-T296 PolarHBondContact O-N 3.07Å; D292-T296 PolarHBondContact O-OG1 3.08Å; D292-K339 WeakPolarHBondContact OD2-CE 3.48Å; D292-K339 IonicContact OD2-NZ 2.77Å; D292-K339 PolarHBondContact OD2-NZ 2.04Å; D292-Y340 PolarHBondContact OD2-OH 3.33Å; D292-K380 WeakPolarHBondContact OD1-CE 3.41Å; D292-K380 IonicContact OD1-NZ 3.87Å
293L97.6Very high97.9Very high0 Ų060.9 Ų60.90%030%0.299CS..Hα-helixtrans-57.2-53.3171.5-80.7170000111.3P287 D289 L290 T296 A297 K339 Y340 Y342P287-L293 HydrophobicContact CG-CD1 3.54Å; D289-L293 PolarHBondContact O-N 3.04Å; D289-L293 VanDerWaalsContact O-N 3.16Å; D289-L293 WeakPolarHBondContact OD1-CD1 3.36Å; L290-L293 PolarHBondContact O-N 3.07Å; L293-T296 PolarHBondContact O-N 3.39Å; L293-A297 WeakPolarHBondContact O-CB 3.44Å; L293-A297 PolarHBondContact O-N 3Å; L293-K339 WeakPolarHBondContact CD2-O 3.19Å; L293-Y340 HydrophobicContact CD2-CD1 4.21Å; L293-Y342 HydrophobicContact CD2-CE1 4.01Å; L293-Y342 PolarHBondContact O-OH 2.04Å
294R98.2Very high97.9Very high133 Ų13355.2 Ų55.250%0.50228%0.278SS..Hα-helixtrans-65.9-42.5-176.8-170.4177.4-177.6-173.41.5111.8L290 T296 A297 I298 V314L290-R294 HydrophobicContact CD1-CB 4.31Å; L290-R294 VanDerWaalsContact O-CB 3.23Å; L290-R294 WeakPolarHBondContact O-CB 3.49Å; L290-R294 PolarHBondContact O-N 2.66Å; R294-T296 VanDerWaalsContact C-N 3.32Å; R294-T296 PolarHBondContact O-N 3.4Å; R294-A297 PolarHBondContact O-N 2.73Å; R294-I298 HydrophobicContact CG-CD1 4.1Å; R294-I298 VanDerWaalsContact O-CG1 3.3Å; R294-I298 WeakPolarHBondContact O-CG1 3.24Å; R294-I298 PolarHBondContact O-N 2.82Å; R294-V314 HydrophobicContact CG-CG1 4.28Å
295S98.4Very high98Very high59 Ų5953.4 Ų53.441%0.41327%0.268SS..Hα-helixtrans-59.3-43.1175.1174.90000111.9P291 I298 R299P291-S295 VanDerWaalsContact O-CB 3.24Å; P291-S295 WeakPolarHBondContact O-CB 3.37Å; P291-S295 PolarHBondContact O-N 3Å; S295-I298 PolarHBondContact O-N 3.18Å; S295-R299 WeakPolarHBondContact O-CG 3.14Å; S295-R299 PolarHBondContact O-N 3.11Å
296T98.6Very high98.1Very high0 Ų056.3 Ų56.30%029%0.29CS..Hα-helixtrans-68.5-41.9178.7-61.60000111.8D292 L293 R294 R299 A300 Y342 V377 K380D292-T296 WeakPolarHBondContact O-CB 3.49Å; D292-T296 PolarHBondContact O-N 3.07Å; D292-T296 PolarHBondContact O-OG1 3.08Å; L293-T296 PolarHBondContact O-N 3.39Å; R294-T296 VanDerWaalsContact C-N 3.32Å; R294-T296 PolarHBondContact O-N 3.4Å; T296-R299 PolarHBondContact O-N 3.22Å; T296-R299 PolarHBondContact OG1-NH2 3.48Å; T296-A300 WeakPolarHBondContact O-CB 3.11Å; T296-A300 PolarHBondContact O-N 2.8Å; T296-Y342 WeakPolarHBondContact CB-OH 3.03Å; T296-V377 HydrophobicContact CG2-CG2 4.29Å; T296-K380 HydrophobicContact CG2-CB 3.98Å; T296-K380 HydrophobicContact CG2-CG 4.09Å
297A98.7Very high98.1Very high0 Ų055.5 Ų55.50%029%0.291CS..Hα-helixtrans-60.4-44.7174.200000112.5W275 L293 R294 R299 A300 T301 V314 Y342W275-A297 VanDerWaalsContact CD1-CB 3.41Å; W275-A297 HydrophobicContact CG-CB 4.16Å; L293-A297 WeakPolarHBondContact O-CB 3.44Å; L293-A297 PolarHBondContact O-N 3Å; R294-A297 PolarHBondContact O-N 2.73Å; A297-R299 PolarHBondContact O-N 2.56Å; A297-A300 WeakPolarHBondContact O-CB 3.39Å; A297-A300 PolarHBondContact O-N 2.72Å; A297-T301 WeakPolarHBondContact O-CG2 3.38Å; A297-T301 PolarHBondContact O-N 2.94Å; A297-T301 PolarHBondContact O-OG1 3.35Å; A297-V314 HydrophobicContact CB-CG1 3.55Å; A297-V314 HydrophobicContact CB-CG2 4.29Å; A297-Y342 HydrophobicContact CB-CD1 4.47Å; A297-Y342 HydrophobicContact CB-CE1 3.82Å
298I98.8Very high98.1Very high67 Ų6759.7 Ų59.734%0.34431%0.306SS..Hα-helixtrans-57.6-52.1177-71.5166.3000110.3R294 S295 A300 T301 E302 V314R294-I298 HydrophobicContact CG-CD1 4.1Å; R294-I298 VanDerWaalsContact O-CG1 3.3Å; R294-I298 WeakPolarHBondContact O-CG1 3.24Å; R294-I298 PolarHBondContact O-N 2.82Å; S295-I298 PolarHBondContact O-N 3.18Å; I298-A300 VanDerWaalsContact C-N 3.26Å; I298-A300 PolarHBondContact O-N 3.36Å; I298-T301 PolarHBondContact O-N 2.96Å; I298-T301 VanDerWaalsContact O-N 3.14Å; I298-T301 PolarHBondContact O-OG1 3.41Å; I298-E302 HydrophobicContact CG2-CG 4.48Å; I298-E302 WeakPolarHBondContact O-CG 3.31Å; I298-E302 PolarHBondContact O-N 2.96Å; I298-V314 HydrophobicContact CG1-CB 4.5Å; I298-V314 HydrophobicContact CG1-CG1 4.43Å; I298-V314 HydrophobicContact CG1-CG2 4.31Å
299R98.7Very high98.1Very high90 Ų9053.9 Ų53.934%0.3429%0.286SS..Hα-helixtrans-59.2-37.9177.5-69-173.9-62.2143.62.9112.5S295 T296 A297 E302 A303 V376S295-R299 WeakPolarHBondContact O-CG 3.14Å; S295-R299 PolarHBondContact O-N 3.11Å; T296-R299 PolarHBondContact O-N 3.22Å; T296-R299 PolarHBondContact OG1-NH2 3.48Å; A297-R299 PolarHBondContact O-N 2.56Å; R299-E302 PolarHBondContact O-N 3.22Å; R299-A303 WeakPolarHBondContact O-CB 3.17Å; R299-A303 PolarHBondContact O-N 3.48Å; R299-V376 HydrophobicContact CB-CG1 3.83Å
300A98.8Very high98.1Very high0 Ų052.3 Ų52.30%028%0.278CS..Hα-helixtrans-64.6-45.5176.600000111.5W275 T296 A297 I298 E302 A303 L304 G373 V376W275-A300 HydrophobicContact CD2-CB 4.38Å; W275-A300 HydrophobicContact CE3-CB 4.29Å; W275-A300 HydrophobicContact CH2-CB 3.51Å; W275-A300 HydrophobicContact CZ2-CB 3.56Å; W275-A300 HydrophobicContact CZ3-CB 3.88Å; T296-A300 WeakPolarHBondContact O-CB 3.11Å; T296-A300 PolarHBondContact O-N 2.8Å; A297-A300 WeakPolarHBondContact O-CB 3.39Å; A297-A300 PolarHBondContact O-N 2.72Å; I298-A300 VanDerWaalsContact C-N 3.26Å; I298-A300 PolarHBondContact O-N 3.36Å; A300-E302 VanDerWaalsContact C-N 3.35Å; A300-E302 PolarHBondContact O-N 3.06Å; A300-A303 PolarHBondContact O-N 2.94Å; A300-L304 WeakPolarHBondContact O-CB 3.49Å; A300-L304 PolarHBondContact O-N 3.43Å; A300-G373 WeakPolarHBondContact CB-O 3.37Å; A300-G373 WeakPolarHBondContact O-CA 3.43Å; A300-V376 HydrophobicContact CB-CB 4.05Å; A300-V376 HydrophobicContact CB-CG1 4.25Å
301T98.7Very high98Very high14 Ų1454.5 Ų54.59%0.08629%0.293CS..Hα-helixtrans-67.2-32.7177.259.20000113.1W275 A297 I298 K305 F312 V314W275-T301 HydrophobicContact CB-CG2 3.59Å; W275-T301 HydrophobicContact CD2-CG2 3.94Å; W275-T301 HydrophobicContact CE3-CG2 3.75Å; W275-T301 HydrophobicContact CG-CG2 3.9Å; A297-T301 WeakPolarHBondContact O-CG2 3.38Å; A297-T301 PolarHBondContact O-N 2.94Å; A297-T301 PolarHBondContact O-OG1 3.35Å; I298-T301 PolarHBondContact O-N 2.96Å; I298-T301 VanDerWaalsContact O-N 3.14Å; I298-T301 PolarHBondContact O-OG1 3.41Å; T301-K305 VanDerWaalsContact O-CB 3.22Å; T301-K305 WeakPolarHBondContact O-CB 3.13Å; T301-K305 PolarHBondContact O-N 2.75Å; T301-F312 HydrophobicContact CG2-CB 3.56Å; T301-F312 HydrophobicContact CG2-CG 4.42Å; T301-V314 HydrophobicContact CG2-CG2 3.61Å
302E98.8Very high98.1Very high115 Ų11550.3 Ų50.354%0.53726%0.264SS..Hα-helixtrans-66.8-43.4172.6-72.5174.116300111.9I298 R299 A300 K305 S306I298-E302 HydrophobicContact CG2-CG 4.48Å; I298-E302 WeakPolarHBondContact O-CG 3.31Å; I298-E302 PolarHBondContact O-N 2.96Å; R299-E302 PolarHBondContact O-N 3.22Å; A300-E302 VanDerWaalsContact C-N 3.35Å; A300-E302 PolarHBondContact O-N 3.06Å; E302-K305 PolarHBondContact O-N 2.96Å; E302-S306 PolarHBondContact O-N 3.2Å
303A98.6Very high98.1Very high16 Ų1653.8 Ų53.813%0.13228%0.278CS..Hα-helixtrans-62.6-44.2175.600000111.6R299 A300 S306 E372 V376R299-A303 WeakPolarHBondContact O-CB 3.17Å; R299-A303 PolarHBondContact O-N 3.48Å; A300-A303 PolarHBondContact O-N 2.94Å; A303-S306 WeakPolarHBondContact O-CB 3.29Å; A303-S306 PolarHBondContact O-N 2.91Å; A303-S306 PolarHBondContact O-OG 3.13Å; A303-E372 WeakPolarHBondContact CB-O 2.94Å; A303-V376 HydrophobicContact CB-CG2 3.62Å
304L98.2Very high98.1Very high1 Ų155.2 Ų55.21%0.00529%0.286CS..Hα-helixtrans-58.5-51.3173.3-176.8158.1000111A300 S306 L307 T310 F312 E369A300-L304 WeakPolarHBondContact O-CB 3.49Å; A300-L304 PolarHBondContact O-N 3.43Å; L304-S306 PolarHBondContact O-N 3.34Å; L304-L307 PolarHBondContact O-N 3.26Å; L304-T310 HydrophobicContact CD2-CG2 4.36Å; L304-F312 HydrophobicContact CD1-CD2 4.21Å; L304-F312 HydrophobicContact CD1-CE1 4.36Å; L304-F312 HydrophobicContact CD1-CE2 3.87Å; L304-F312 HydrophobicContact CD1-CZ 3.95Å; L304-F312 HydrophobicContact CD2-CD2 3.74Å; L304-F312 HydrophobicContact CD2-CE2 3.66Å; L304-F312 HydrophobicContact CG-CE2 4.46Å; L304-E369 HydrophobicContact CD1-CG 4.27Å; L304-E369 HydrophobicContact CD2-CB 4.11Å; L304-E369 HydrophobicContact CD2-CG 3.92Å; L304-E369 HydrophobicContact CG-CB 3.81Å; L304-E369 HydrophobicContact CG-CG 3.83Å; L304-E369 VanDerWaalsContact CG-O 3.32Å; L304-E369 WeakPolarHBondContact CG-O 3.14Å
305K98.4Very high98.1Very high106 Ų10649.3 Ų49.346%0.46127%0.267SS..Hα-helixtrans-57.3-34.8179.2-177.9178178.4179.80112.5T301 E302 L307 G309 T310 V311T301-K305 VanDerWaalsContact O-CB 3.22Å; T301-K305 WeakPolarHBondContact O-CB 3.13Å; T301-K305 PolarHBondContact O-N 2.75Å; E302-K305 PolarHBondContact O-N 2.96Å; K305-L307 PolarHBondContact O-N 2.65Å; K305-L307 VanDerWaalsContact O-N 3.1Å; K305-G309 WeakPolarHBondContact O-CA 3.48Å; K305-G309 PolarHBondContact O-N 3.1Å; K305-T310 VanDerWaalsContact CA-O 3.31Å; K305-T310 WeakPolarHBondContact CA-O 3.34Å; K305-T310 VanDerWaalsContact CB-O 3.24Å; K305-T310 WeakPolarHBondContact CB-O 3.36Å; K305-T310 WeakPolarHBondContact CG-O 3.41Å; K305-V311 HydrophobicContact CD-CG2 4.21Å
306S98.2Very high98.1Very high93 Ų9346.6 Ų46.665%0.6525%0.248SC*.Hα-helixtrans-60.2-22.3-177.377.90000114.2E302 A303 L304E302-S306 PolarHBondContact O-N 3.2Å; A303-S306 WeakPolarHBondContact O-CB 3.29Å; A303-S306 PolarHBondContact O-N 2.91Å; A303-S306 PolarHBondContact O-OG 3.13Å; L304-S306 PolarHBondContact O-N 3.34Å
307L97Very high97.8Very high72 Ų7246.7 Ų46.738%0.37725%0.249SC..Hα-helixtrans-82.6-46.1-176-167.964.2000113.1L304 K305 R368 E369 E372L304-L307 PolarHBondContact O-N 3.26Å; K305-L307 PolarHBondContact O-N 2.65Å; K305-L307 VanDerWaalsContact O-N 3.1Å; L307-R368 HydrophobicContact CD2-CB 3.83Å; L307-E369 HydrophobicContact CB-CB 4.46Å; L307-E369 HydrophobicContact CD2-CB 4.14Å; L307-E372 HydrophobicContact CD2-CG 4.2Å
308Y97Very high97.7Very high97 Ų9746.7 Ų46.738%0.3825%0.249SC..Hα-helixtrans-135.14.4-172.9-61-51.1000114.5T310 R347 P365 R368 E369Y308-T310 VanDerWaalsContact C-N 3.3Å; Y308-T310 PolarHBondContact O-N 2.69Å; Y308-R347 VanDerWaalsContact CB-NH2 3.33Å; Y308-P365 HydrophobicContact CD2-CB 4.17Å; Y308-P365 HydrophobicContact CE2-CB 3.83Å; Y308-P365 WeakPolarHBondContact CE2-O 3.47Å; Y308-R368 HydrophobicContact CE2-CB 4.15Å; Y308-R368 WeakPolarHBondContact OH-CD 3.31Å; Y308-E369 HydrophobicContact CD2-CB 4.03Å; Y308-E369 HydrophobicContact CE2-CB 4.44Å
309G97.2Very high97.6Very high48 Ų4845.8 Ų45.850%0.49525%0.245SC..  trans80.34.2-178.900000115.1K305 V311K305-G309 WeakPolarHBondContact O-CA 3.48Å; K305-G309 PolarHBondContact O-N 3.1Å; G309-V311 PolarHBondContact O-N 3.22Å
310T96.8Very high97.4Very high10 Ų1044 Ų446%0.06124%0.242CC..PPolyproline II helixtrans-63.8128.3-179.3-40.50000111.3Q273 L304 K305 Y308 F312 R347 E369Q273-T310 VanDerWaalsContact CD-CG2 3.48Å; Q273-T310 HydrophobicContact CG-CG2 4.19Å; Q273-T310 VanDerWaalsContact OE1-CG2 3.31Å; L304-T310 HydrophobicContact CD2-CG2 4.36Å; K305-T310 VanDerWaalsContact CA-O 3.31Å; K305-T310 WeakPolarHBondContact CA-O 3.34Å; K305-T310 VanDerWaalsContact CB-O 3.24Å; K305-T310 WeakPolarHBondContact CB-O 3.36Å; K305-T310 WeakPolarHBondContact CG-O 3.41Å; Y308-T310 VanDerWaalsContact C-N 3.3Å; Y308-T310 PolarHBondContact O-N 2.69Å; T310-F312 HydrophobicContact CG2-CD2 4.13Å; T310-F312 HydrophobicContact CG2-CE2 3.78Å; T310-R347 HydrophobicContact CG2-CG 3.94Å; T310-R347 PolarHBondContact OG1-NE 2.85Å; T310-R347 PolarHBondContact OG1-NH2 3.48Å; T310-E369 VanDerWaalsContact CB-OE2 3.32Å; T310-E369 WeakPolarHBondContact CB-OE2 3.26Å; T310-E369 PolarHBondContact OG1-OE1 2.64Å; T310-E369 PolarHBondContact OG1-OE2 3.47Å
311V96.9Very high97Very high83 Ų8346.2 Ų46.250%0.50325%0.254SS..PPolyproline II helixtrans-104120.7-175.9-178.20000109.5Q273 K305 G309Q273-V311 WeakPolarHBondContact CB-O 3.44Å; Q273-V311 PolarHBondContact NE2-O 3.29Å; K305-V311 HydrophobicContact CD-CG2 4.21Å; G309-V311 PolarHBondContact O-N 3.22Å
312F98Very high96.7Very high13 Ų1350.8 Ų50.86%0.05727%0.27CS..PPolyproline II helixtrans-102.1142172.5-84.4-125.4000110.5Q273 W275 T301 L304 T310 E345 L346Q273-F312 VanDerWaalsContact C-CD1 3.43Å; Q273-F312 HydrophobicContact CB-CD1 4.43Å; Q273-F312 HydrophobicContact CB-CD2 3.79Å; Q273-F312 HydrophobicContact CB-CE1 4.48Å; Q273-F312 HydrophobicContact CB-CE2 3.84Å; Q273-F312 HydrophobicContact CB-CG 4.1Å; Q273-F312 HydrophobicContact CB-CZ 4.2Å; Q273-F312 HydrophobicContact CG-CD2 4.27Å; Q273-F312 HydrophobicContact CG-CE2 3.89Å; Q273-F312 HydrophobicContact CG-CZ 4.31Å; Q273-F312 CarbonylContact O-C 3.26Å; Q273-F312 WeakPolarHBondContact O-CA 3.43Å; W275-F312 HydrophobicContact CB-CD1 4.41Å; T301-F312 HydrophobicContact CG2-CB 3.56Å; T301-F312 HydrophobicContact CG2-CG 4.42Å; L304-F312 HydrophobicContact CD1-CD2 4.21Å; L304-F312 HydrophobicContact CD1-CE1 4.36Å; L304-F312 HydrophobicContact CD1-CE2 3.87Å; L304-F312 HydrophobicContact CD1-CZ 3.95Å; L304-F312 HydrophobicContact CD2-CD2 3.74Å; L304-F312 HydrophobicContact CD2-CE2 3.66Å; L304-F312 HydrophobicContact CG-CE2 4.46Å; T310-F312 HydrophobicContact CG2-CD2 4.13Å; T310-F312 HydrophobicContact CG2-CE2 3.78Å; F312-E345 VanDerWaalsContact CE1-O 3.26Å; F312-E345 WeakPolarHBondContact CE1-O 3.04Å; F312-L346 HydrophobicContact CE1-CD2 4.32Å; F312-L346 HydrophobicContact CZ-CD2 4.24Å
313K97.6Very high96.6Very high112 Ų11247.1 Ų47.149%0.48726%0.256SS..EExtended strand (participates in β ladder)trans-87.5140.4168-58.2172.5-1721610109.1Q273 L274 W275 L320 E350Q273-K313 PolarHBondContact O-N 3.45Å; L274-K313 HydrophobicContact CD2-CB 3.78Å; L274-K313 HydrophobicContact CD2-CD 3.98Å; L274-K313 HydrophobicContact CD2-CG 4.24Å; W275-K313 PolarHBondContact N-O 3.13Å; K313-L320 HydrophobicContact CB-CD2 4.17Å; K313-E350 IonicContact NZ-OE2 3.45Å; K313-E350 PolarHBondContact NZ-OE2 3.32Å
314V98.4Very high96.6Very high30 Ų3047.1 Ų47.118%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-112.4131.6177.3179.20000109.6W275 R294 A297 I298 T301W275-V314 HydrophobicContact CB-CG2 4.2Å; W275-V314 WeakPolarHBondContact O-CA 3.36Å; R294-V314 HydrophobicContact CG-CG1 4.28Å; A297-V314 HydrophobicContact CB-CG1 3.55Å; A297-V314 HydrophobicContact CB-CG2 4.29Å; I298-V314 HydrophobicContact CG1-CB 4.5Å; I298-V314 HydrophobicContact CG1-CG1 4.43Å; I298-V314 HydrophobicContact CG1-CG2 4.31Å; T301-V314 HydrophobicContact CG2-CG2 3.61Å
315G98.2Very high96.5Very high10 Ų1047.1 Ų47.110%0.10326%0.255CS..EExtended strand (participates in β ladder)trans172.2-173.7-179.500000112.5W275 I276 H277W275-G315 PolarHBondContact O-N 3.47Å; I276-G315 VanDerWaalsContact CA-O 3.29Å; I276-G315 WeakPolarHBondContact CA-O 3.47Å; H277-G315 PolarHBondContact CD2-O 2.67Å; H277-G315 PolarHBondContact N-O 3.45Å; H277-G315 WeakPolarHBondContact NE2-CA 3.29Å
316S97.7Very high96.5Very high1 Ų142 Ų421%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-80.6153.4172.774.90000111.2H277 Y279 A318 D319 L320H277-S316 PolarHBondContact CE1-N 3.27Å; H277-S316 VanDerWaalsContact O-CA 3.29Å; H277-S316 WeakPolarHBondContact O-CA 2.99Å; Y279-S316 WeakPolarHBondContact O-CB 3.43Å; S316-A318 VanDerWaalsContact C-N 3.25Å; S316-A318 PolarHBondContact O-N 3.34Å; S316-D319 PolarHBondContact O-N 3.07Å; S316-D319 VanDerWaalsContact OG-CB 3.28Å; S316-D319 WeakPolarHBondContact OG-CB 3.25Å; S316-D319 PolarHBondContact OG-N 2.75Å; S316-D319 PolarHBondContact OG-OD2 3.16Å; S316-L320 WeakPolarHBondContact O-CB 3.41Å; S316-L320 WeakPolarHBondContact O-CG 3.38Å; S316-L320 PolarHBondContact O-N 3.47Å
317G93.7Very high96.5Very high2 Ų237.7 Ų37.72%0.02120%0.203CC..Hα-helixtrans-60.7-38.5178.500000111.7I276 D319 L321 Y322I276-G317 VanDerWaalsContact CG2-N 3.32Å; G317-D319 PolarHBondContact O-N 3.27Å; G317-L321 WeakPolarHBondContact O-CA 3.22Å; G317-L321 WeakPolarHBondContact O-CB 3.4Å; G317-L321 PolarHBondContact O-N 2.92Å; G317-Y322 PolarHBondContact O-N 2.8Å
318A96.2Very high96.6Very high0 Ų034.3 Ų34.30%019%0.185CC..Hα-helixtrans-65.5-35.8179.100000113.7S280 K282 R283 S316S280-A318 WeakPolarHBondContact O-CB 3.46Å; K282-A318 WeakPolarHBondContact O-CB 3.3Å; R283-A318 HydrophobicContact CG-CB 4Å; R283-A318 VanDerWaalsContact CG-O 3.27Å; R283-A318 WeakPolarHBondContact CG-O 3.32Å; R283-A318 PolarHBondContact NE-O 3.47Å; R283-A318 VanDerWaalsContact NE-O 3.15Å; S316-A318 VanDerWaalsContact C-N 3.25Å; S316-A318 PolarHBondContact O-N 3.34Å
319D96.8Very high96.7Very high49 Ų4929.8 Ų29.826%0.26217%0.168SC..Hα-helixtrans-87.3-34.7-176.2-61.7-26.8000112.3R283 H284 Y286 S316 G317R283-D319 WeakPolarHBondContact CA-OD1 3.2Å; R283-D319 WeakPolarHBondContact CB-OD1 3.35Å; R283-D319 WeakPolarHBondContact CG-OD1 3.16Å; H284-D319 IonicContact CE1-OD1 2.74Å; H284-D319 PolarHBondContact N-OD1 3.46Å; H284-D319 IonicContact ND1-OD1 2.83Å; Y286-D319 WeakPolarHBondContact CE1-OD2 3.33Å; Y286-D319 VanDerWaalsContact CZ-OD2 3.24Å; Y286-D319 PolarHBondContact OH-OD2 3.34Å; S316-D319 PolarHBondContact O-N 3.07Å; S316-D319 VanDerWaalsContact OG-CB 3.28Å; S316-D319 WeakPolarHBondContact OG-CB 3.25Å; S316-D319 PolarHBondContact OG-N 2.75Å; S316-D319 PolarHBondContact OG-OD2 3.16Å; G317-D319 PolarHBondContact O-N 3.27Å
320L94.3Very high96.7Very high52 Ų5227.5 Ų27.527%0.27214%0.144SC..Hα-helixtrans-80.2-38.8178.2-69.9-179.3000112.9L274 I276 K313 S316L274-L320 HydrophobicContact CB-CD1 4.43Å; L274-L320 HydrophobicContact CD1-CB 4.5Å; L274-L320 HydrophobicContact CD2-CD1 4.36Å; I276-L320 HydrophobicContact CG1-CD1 4.04Å; K313-L320 HydrophobicContact CB-CD2 4.17Å; S316-L320 WeakPolarHBondContact O-CB 3.41Å; S316-L320 WeakPolarHBondContact O-CG 3.38Å; S316-L320 PolarHBondContact O-N 3.47Å
321L90.3Very high96.8Very high47 Ų4727.5 Ų27.525%0.24614%0.143CC..THydrogen-bonded Turntrans-114.9-92.8-176.3-66.3171.5000109.6L274 I276 G317L274-L321 HydrophobicContact CD1-CD1 3.79Å; L274-L321 HydrophobicContact CD1-CD2 3.49Å; L274-L321 VanDerWaalsContact CD1-CD2 3.49Å; L274-L321 HydrophobicContact CD1-CG 3.54Å; I276-L321 HydrophobicContact CD1-CD1 3.86Å; G317-L321 WeakPolarHBondContact O-CA 3.22Å; G317-L321 WeakPolarHBondContact O-CB 3.4Å; G317-L321 PolarHBondContact O-N 2.92Å
322Y93Very high96.9Very high109 Ų10923.5 Ų23.543%0.42712%0.119SC..  trans-160.3153.5-176.852.8-93.1000109.4G317 S324G317-Y322 PolarHBondContact O-N 2.8Å; Y322-S324 PolarHBondContact O-N 3.24Å
323P97Very high96.9Very high39 Ų3923.8 Ų23.825%0.25312%0.12SC..  trans-54.9124.1173-27.536.6000112A226 G227 S280 H281 R283A226-P323 CarbonylContact C-O 3.58Å; A226-P323 HydrophobicContact CB-CB 3.75Å; G227-P323 WeakPolarHBondContact CA-O 3.45Å; G227-P323 PolarHBondContact N-O 2.94Å; S280-P323 CarbonylContact O-C 3.58Å; S280-P323 VanDerWaalsContact O-CA 3.31Å; S280-P323 WeakPolarHBondContact O-CA 3.38Å; H281-P323 WeakPolarHBondContact O-CB 3.36Å; R283-P323 HydrophobicContact CG-CG 4.22Å
324S97Very high97Very high16 Ų1621.4 Ų21.411%0.11211%0.113CC..  trans-139.9121.8179.150.70000111.2A226 S280 H281 Y322A226-S324 CarbonylContact O-C 3.55Å; A226-S324 VanDerWaalsContact O-CA 3.26Å; A226-S324 WeakPolarHBondContact O-CA 3.34Å; S280-S324 CarbonylContact C-O 3.39Å; S280-S324 PolarHBondContact O-N 3.41Å; H281-S324 VanDerWaalsContact CA-O 3.22Å; H281-S324 WeakPolarHBondContact CA-O 3.42Å; H281-S324 PolarHBondContact N-O 2.95Å; H281-S324 VanDerWaalsContact N-O 3.14Å; Y322-S324 PolarHBondContact O-N 3.24Å
325A97.5Very high96.9Very high0 Ų021.6 Ų21.60%012%0.117CC..  trans-102.6161.5-179.400000112R217 Y222 A226 H281R217-A325 WeakPolarHBondContact CD-O 3.16Å; Y222-A325 WeakPolarHBondContact O-CB 3.39Å; A226-A325 PolarHBondContact O-N 2.93Å; H281-A325 HydrophobicContact CB-CB 4.19Å
326G98Very high96.9Very high0 Ų021.2 Ų21.20%011%0.113CC..SBendtrans77.320.7-178.900000115N216 R217 N218 F219 F221N216-G326 CarbonylContact C-O 3.47Å; N216-G326 VanDerWaalsContact C-O 3.28Å; N216-G326 CarbonylContact O-C 3.46Å; R217-G326 CarbonylContact C-O 3.54Å; R217-G326 VanDerWaalsContact C-O 3.26Å; R217-G326 WeakPolarHBondContact CA-O 3.42Å; R217-G326 PolarHBondContact N-O 3.04Å; N218-G326 PolarHBondContact N-O 3.26Å; F219-G326 WeakPolarHBondContact CB-O 3.4Å; F219-G326 PolarHBondContact N-O 2.96Å; F219-G326 VanDerWaalsContact O-CA 3.27Å; F219-G326 WeakPolarHBondContact O-CA 3.26Å; F221-G326 WeakPolarHBondContact O-CA 3.36Å; F221-G326 PolarHBondContact O-N 3.41Å
327G98.3Very high96.9Very high2 Ų228.4 Ų28.42%0.02114%0.144CC..  trans-78.2147.6178.900000114.1N216 W331N216-G327 VanDerWaalsContact OD1-CA 3.25Å; N216-G327 WeakPolarHBondContact OD1-CA 3.47Å; G327-W331 PolarHBondContact O-N 2.87Å; G327-W331 VanDerWaalsContact O-N 3.15Å
328S98.7Very high97.2Very high0 Ų028.4 Ų28.40%014%0.144CC..Hα-helixtrans-68.4-34.2179.569.90000112.9N216 F219 S332N216-S328 PolarHBondContact OD1-N 3.11Å; F219-S328 VanDerWaalsContact CZ-CB 3.44Å; S328-S332 WeakPolarHBondContact O-CB 3.39Å; S328-S332 PolarHBondContact O-N 3.05Å; S328-S332 PolarHBondContact O-OG 3.44Å
329D98.5Very high97.2Very high2 Ų231.2 Ų31.21%0.01116%0.156CC..Hα-helixtrans-63.8-54.3175.559.1-28.2000110.9T267 S280 W331 S332 K333 V341 L343T267-D329 HydrophobicContact CG2-CB 4.38Å; S280-D329 PolarHBondContact OG-OD2 3.1Å; D329-W331 VanDerWaalsContact C-N 3.35Å; D329-W331 PolarHBondContact O-N 3.26Å; D329-S332 WeakPolarHBondContact O-CB 3.02Å; D329-S332 PolarHBondContact O-N 3.36Å; D329-S332 VanDerWaalsContact O-N 3.14Å; D329-K333 PolarHBondContact O-N 3.49Å; D329-V341 HydrophobicContact CB-CG1 3.77Å; D329-V341 WeakPolarHBondContact O-CG1 3.3Å; D329-L343 HydrophobicContact CB-CB 4.36Å
330D98.6Very high97.3Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-61.8-42.5-179.7-80.8-3.8000112F221 Y279 S280 H281 K333 N334F221-D330 HydrophobicContact CB-CB 4.38Å; F221-D330 HydrophobicContact CD1-CB 3.24Å; F221-D330 HydrophobicContact CD2-CB 4.37Å; F221-D330 HydrophobicContact CE1-CB 3.41Å; F221-D330 VanDerWaalsContact CE1-CB 3.41Å; F221-D330 WeakPolarHBondContact CE1-OD2 3.35Å; F221-D330 HydrophobicContact CG-CB 3.74Å; F221-D330 HydrophobicContact CZ-CB 4.08Å; Y279-D330 WeakPolarHBondContact CA-OD1 3.42Å; Y279-D330 HydrophobicContact CD1-CB 4.09Å; Y279-D330 WeakPolarHBondContact CD1-OD1 3.46Å; S280-D330 WeakPolarHBondContact CA-OD2 3.33Å; S280-D330 VanDerWaalsContact N-CG 3.29Å; S280-D330 PolarHBondContact N-OD1 2.91Å; S280-D330 PolarHBondContact N-OD2 3.02Å; H281-D330 PolarHBondContact N-OD2 2.97Å; D330-K333 PolarHBondContact O-N 3.02Å; D330-N334 WeakPolarHBondContact O-CB 3.17Å; D330-N334 PolarHBondContact O-N 2.73Å
331W98.6Very high97.5Very high10 Ų1026.6 Ų26.64%0.03813%0.131CC..Hα-helixtrans-61.2-44.5173.8173.684.7000111.9F219 F221 F243 R252 V255 W256 G327 D329 K333 N334 A335 A336F219-W331 HydrophobicContact CB-CB 3.85Å; F219-W331 HydrophobicContact CB-CG 4.27Å; F219-W331 HydrophobicContact CD1-CB 4.05Å; F219-W331 HydrophobicContact CD1-CD2 4Å; F219-W331 AromaticContact CD1-CE3 3.94Å; F219-W331 HydrophobicContact CD1-CE3 3.94Å; F219-W331 HydrophobicContact CD1-CG 4.04Å; F219-W331 HydrophobicContact CE1-CE3 4.22Å; F219-W331 HydrophobicContact CG-CB 4.37Å; F221-W331 HydrophobicContact CB-CB 4.19Å; F243-W331 AromaticContact CE2-NE1 3.99Å; F243-W331 AromaticContact CZ-CD1 3.75Å; F243-W331 HydrophobicContact CZ-CD2 4.18Å; F243-W331 AromaticContact CZ-CE2 3.82Å; F243-W331 HydrophobicContact CZ-CG 4.18Å; F243-W331 HydrophobicContact CZ-CZ2 4.43Å; F243-W331 AromaticContact CZ-NE1 3.5Å; R252-W331 HydrophobicContact CB-CH2 4.2Å; R252-W331 HydrophobicContact CB-CZ2 4.31Å; R252-W331 HydrophobicContact CG-CH2 3.8Å; R252-W331 HydrophobicContact CG-CZ2 3.48Å; R252-W331 VanDerWaalsContact CG-CZ2 3.48Å; V255-W331 HydrophobicContact CB-CH2 4.39Å; V255-W331 HydrophobicContact CB-CZ3 4.18Å; V255-W331 HydrophobicContact CG1-CH2 4.29Å; V255-W331 HydrophobicContact CG1-CZ3 3.92Å; W256-W331 HydrophobicContact CB-CH2 4.46Å; W256-W331 HydrophobicContact CE3-CH2 4.36Å; W256-W331 AromaticContact CE3-CZ2 3.91Å; W256-W331 HydrophobicContact CE3-CZ2 3.91Å; G327-W331 PolarHBondContact O-N 2.87Å; G327-W331 VanDerWaalsContact O-N 3.15Å; D329-W331 VanDerWaalsContact C-N 3.35Å; D329-W331 PolarHBondContact O-N 3.26Å; W331-K333 VanDerWaalsContact C-N 3.29Å; W331-K333 PolarHBondContact O-N 3.14Å; W331-N334 PolarHBondContact O-N 2.69Å; W331-A335 HydrophobicContact CD2-CB 4.47Å; W331-A335 HydrophobicContact CG-CB 4.27Å; W331-A335 WeakPolarHBondContact O-CA 3.22Å; W331-A335 WeakPolarHBondContact O-CB 3.44Å; W331-A335 PolarHBondContact O-N 2.77Å; W331-A336 HydrophobicContact CH2-CB 4.17Å; W331-A336 HydrophobicContact CZ3-CB 4.24Å; W331-A336 PolarHBondContact O-N 3.43Å
332S98.7Very high97.9Very high0 Ų024.3 Ų24.30%012%0.119CC..Hα-helixtrans-62.3-38.2179.6-68.60000112.1F265 S328 D329 A336 K337 I338F265-S332 WeakPolarHBondContact CD2-OG 3.19Å; F265-S332 WeakPolarHBondContact CE2-OG 3.38Å; F265-S332 WeakPolarHBondContact CZ-OG 3.47Å; S328-S332 WeakPolarHBondContact O-CB 3.39Å; S328-S332 PolarHBondContact O-N 3.05Å; S328-S332 PolarHBondContact O-OG 3.44Å; D329-S332 WeakPolarHBondContact O-CB 3.02Å; D329-S332 PolarHBondContact O-N 3.36Å; D329-S332 VanDerWaalsContact O-N 3.14Å; S332-A336 CarbonylContact O-C 3.54Å; S332-A336 WeakPolarHBondContact O-CB 3.48Å; S332-K337 PolarHBondContact O-N 2.72Å; S332-I338 PolarHBondContact O-N 3.07Å; S332-I338 VanDerWaalsContact O-N 3.09Å
333K98.4Very high98.2Very high18 Ų1819.6 Ų19.68%0.07810%0.101CC..Hα-helixtrans-70.2-49.6175.9-175.457.2169.5179.60111.9P278 Y279 P287 D289 D329 D330 W331 K337 I338 K339 V341P278-K333 HydrophobicContact CB-CB 4.06Å; P278-K333 HydrophobicContact CB-CG 3.95Å; P278-K333 HydrophobicContact CG-CB 3.71Å; P278-K333 HydrophobicContact CG-CG 3.89Å; Y279-K333 HydrophobicContact CE1-CB 4.28Å; Y279-K333 HydrophobicContact CE1-CG 4.14Å; P287-K333 HydrophobicContact CB-CD 4.45Å; P287-K333 HydrophobicContact CB-CG 4.33Å; D289-K333 WeakPolarHBondContact OD1-CE 3.26Å; D289-K333 IonicContact OD1-NZ 3.66Å; D289-K333 PolarHBondContact OD1-NZ 2.83Å; D289-K333 IonicContact OD2-NZ 3.47Å; D289-K333 PolarHBondContact OD2-NZ 3.38Å; D329-K333 PolarHBondContact O-N 3.49Å; D330-K333 PolarHBondContact O-N 3.02Å; W331-K333 VanDerWaalsContact C-N 3.29Å; W331-K333 PolarHBondContact O-N 3.14Å; K333-K337 WeakPolarHBondContact O-CA 3.18Å; K333-I338 WeakPolarHBondContact CD-O 3.28Å; K333-K339 PolarHBondContact NZ-O 2.99Å; K333-V341 HydrophobicContact CB-CB 4.32Å; K333-V341 HydrophobicContact CB-CG2 3.97Å; K333-V341 HydrophobicContact CD-CG2 4.08Å
334N98.1Very high98.3Very high63 Ų6317.8 Ų17.834%0.3379%0.09SC..Hα-helixtrans-81-53.6-171.7-17856.6000113.2F221 Y279 D330 W331 K337F221-N334 HydrophobicContact CD2-CB 3.73Å; F221-N334 HydrophobicContact CE2-CB 3.51Å; Y279-N334 HydrophobicContact CE1-CB 4.02Å; D330-N334 WeakPolarHBondContact O-CB 3.17Å; D330-N334 PolarHBondContact O-N 2.73Å; W331-N334 PolarHBondContact O-N 2.69Å; N334-K337 WeakPolarHBondContact O-CD 3.12Å; N334-K337 WeakPolarHBondContact O-CE 3.37Å; N334-K337 PolarHBondContact O-NZ 2.68Å
335A98Very high98.3Very high33 Ų3318.2 Ų18.227%0.2739%0.09SC..THydrogen-bonded Turntrans-84.2-50.7-174.600000111.3W256 W331 K337W256-A335 HydrophobicContact CZ3-CB 4.24Å; W256-A335 WeakPolarHBondContact CZ3-O 3.37Å; W331-A335 HydrophobicContact CD2-CB 4.47Å; W331-A335 HydrophobicContact CG-CB 4.27Å; W331-A335 WeakPolarHBondContact O-CA 3.22Å; W331-A335 WeakPolarHBondContact O-CB 3.44Å; W331-A335 PolarHBondContact O-N 2.77Å; A335-K337 VanDerWaalsContact C-N 3.25Å; A335-K337 PolarHBondContact O-N 2.69Å
336A98.1Very high98.3Very high2 Ų218.2 Ų18.22%0.0179%0.09CC..SBendtrans-77.8-9.1-178.500000113.6V255 W256 R259 W331 S332 I338V255-A336 HydrophobicContact CG1-CB 4.29Å; W256-A336 HydrophobicContact CE3-CB 4.45Å; R259-A336 HydrophobicContact CB-CB 4.27Å; W331-A336 HydrophobicContact CH2-CB 4.17Å; W331-A336 HydrophobicContact CZ3-CB 4.24Å; W331-A336 PolarHBondContact O-N 3.43Å; S332-A336 CarbonylContact O-C 3.54Å; S332-A336 WeakPolarHBondContact O-CB 3.48Å; A336-I338 HydrophobicContact CB-CD1 4.1Å; A336-I338 HydrophobicContact CB-CG1 4.06Å; A336-I338 PolarHBondContact O-N 2.86Å
337K97.9Very high98.2Very high153 Ų15319.2 Ų19.267%0.6659%0.094SC*.  trans57.132.7177.9-56.6-60.6-177.4-1640113.6S332 K333 N334 A335S332-K337 PolarHBondContact O-N 2.72Å; K333-K337 WeakPolarHBondContact O-CA 3.18Å; N334-K337 WeakPolarHBondContact O-CD 3.12Å; N334-K337 WeakPolarHBondContact O-CE 3.37Å; N334-K337 PolarHBondContact O-NZ 2.68Å; A335-K337 VanDerWaalsContact C-N 3.25Å; A335-K337 PolarHBondContact O-N 2.69Å
338I98.5Very high98Very high1 Ų119.8 Ų19.81%0.00510%0.097CC..  trans-74.7134.2176.1-59.5174.5000108.8V255 I262 F265 S332 K333 A336 V341V255-I338 HydrophobicContact CG1-CD1 3.61Å; I262-I338 HydrophobicContact CB-CD1 4.24Å; I262-I338 HydrophobicContact CG2-CD1 3.71Å; I262-I338 HydrophobicContact CG2-CG1 4.28Å; I262-I338 HydrophobicContact CG2-CG2 4.19Å; F265-I338 HydrophobicContact CB-CD1 4.02Å; F265-I338 HydrophobicContact CB-CG2 4.04Å; F265-I338 HydrophobicContact CD2-CD1 4.25Å; S332-I338 PolarHBondContact O-N 3.07Å; S332-I338 VanDerWaalsContact O-N 3.09Å; K333-I338 WeakPolarHBondContact CD-O 3.28Å; A336-I338 HydrophobicContact CB-CD1 4.1Å; A336-I338 HydrophobicContact CB-CG1 4.06Å; A336-I338 PolarHBondContact O-N 2.86Å; I338-V341 HydrophobicContact CB-CG2 3.93Å; I338-V341 HydrophobicContact CG2-CG2 3.98Å; I338-V341 WeakPolarHBondContact O-CG2 3.41Å
339K97.6Very high97.5Very high60 Ų6021.8 Ų21.826%0.26111%0.108SC..SBendtrans-72-64.7-174.4-174.2175.5172.2179.10111.8D289 D292 L293 K333 V341D289-K339 WeakPolarHBondContact OD2-CG 3.39Å; D292-K339 WeakPolarHBondContact OD2-CE 3.48Å; D292-K339 IonicContact OD2-NZ 2.77Å; D292-K339 PolarHBondContact OD2-NZ 2.04Å; L293-K339 WeakPolarHBondContact CD2-O 3.19Å; K333-K339 PolarHBondContact NZ-O 2.99Å; K339-V341 PolarHBondContact O-N 3.38Å
340Y98.6Very high96.7Very high3 Ų325.3 Ų25.31%0.01212%0.124CC..EExtended strand (participates in β ladder)trans-91.289-174.5-60.5-71.1000111.3K263 A264 F265 D292 L293 K380 V381 Q384K263-Y340 WeakPolarHBondContact O-CD2 3.46Å; K263-Y340 PolarHBondContact O-N 3.33Å; A264-Y340 CarbonylContact C-O 3.49Å; A264-Y340 WeakPolarHBondContact CA-O 3.27Å; A264-Y340 WeakPolarHBondContact CB-O 3.2Å; F265-Y340 PolarHBondContact N-O 3.35Å; D292-Y340 PolarHBondContact OD2-OH 3.33Å; L293-Y340 HydrophobicContact CD2-CD1 4.21Å; Y340-K380 HydrophobicContact CE1-CG 3.81Å; Y340-K380 HydrophobicContact CE2-CG 4.2Å; Y340-K380 WeakPolarHBondContact OH-CE 3.34Å; Y340-K380 WeakPolarHBondContact OH-CG 3.47Å; Y340-V381 HydrophobicContact CD2-CG2 3.78Å; Y340-V381 HydrophobicContact CE2-CG2 4.25Å; Y340-Q384 HydrophobicContact CE2-CG 4.15Å; Y340-Q384 WeakPolarHBondContact OH-CG 3.42Å
341V98.8Very high95.6Very high0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-106.9128.8180-177.90000109.9F265 P278 D329 K333 I338 K339F265-V341 HydrophobicContact CB-CG1 4.42Å; F265-V341 HydrophobicContact CB-CG2 4.21Å; F265-V341 HydrophobicContact CD1-CG1 4.12Å; F265-V341 CarbonylContact O-C 3.49Å; F265-V341 WeakPolarHBondContact O-CA 3.37Å; P278-V341 VanDerWaalsContact CD-O 3.31Å; P278-V341 WeakPolarHBondContact CD-O 3.39Å; P278-V341 HydrophobicContact CG-CB 3.9Å; P278-V341 HydrophobicContact CG-CG1 3.85Å; D329-V341 HydrophobicContact CB-CG1 3.77Å; D329-V341 WeakPolarHBondContact O-CG1 3.3Å; K333-V341 HydrophobicContact CB-CB 4.32Å; K333-V341 HydrophobicContact CB-CG2 3.97Å; K333-V341 HydrophobicContact CD-CG2 4.08Å; I338-V341 HydrophobicContact CB-CG2 3.93Å; I338-V341 HydrophobicContact CG2-CG2 3.98Å; I338-V341 WeakPolarHBondContact O-CG2 3.41Å; K339-V341 PolarHBondContact O-N 3.38Å
342Y98.9Very high94.4Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-138.5141.9175.3-56.3-69.6000112.3F265 I266 T267 W275 I276 H277 L293 T296 A297 V377F265-Y342 PolarHBondContact O-N 2.92Å; I266-Y342 VanDerWaalsContact CA-O 3.31Å; I266-Y342 WeakPolarHBondContact CA-O 3.5Å; T267-Y342 PolarHBondContact N-O 3.31Å; W275-Y342 AromaticContact CD1-CD1 3.49Å; W275-Y342 VanDerWaalsContact CD1-CD1 3.49Å; W275-Y342 AromaticContact CD1-CG 3.97Å; W275-Y342 HydrophobicContact CZ2-CD2 4.35Å; W275-Y342 HydrophobicContact CZ2-CG 4.46Å; W275-Y342 AromaticContact NE1-CD1 3.07Å; W275-Y342 AromaticContact NE1-CD2 3.75Å; W275-Y342 AromaticContact NE1-CE1 3.52Å; W275-Y342 AromaticContact NE1-CG 3.2Å; I276-Y342 CarbonylContact O-C 3.4Å; I276-Y342 WeakPolarHBondContact O-CA 3.49Å; H277-Y342 HydrophobicContact CB-CD1 4.25Å; H277-Y342 HydrophobicContact CB-CE1 4.27Å; L293-Y342 HydrophobicContact CD2-CE1 4.01Å; L293-Y342 PolarHBondContact O-OH 2.04Å; T296-Y342 WeakPolarHBondContact CB-OH 3.03Å; A297-Y342 HydrophobicContact CB-CD1 4.47Å; A297-Y342 HydrophobicContact CB-CE1 3.82Å; Y342-V377 HydrophobicContact CD2-CG1 4.35Å; Y342-V377 HydrophobicContact CD2-CG2 4Å; Y342-V377 HydrophobicContact CE2-CG1 3.97Å; Y342-V377 HydrophobicContact CE2-CG2 3.71Å
343L98.7Very high92.8Very high9 Ų945.6 Ų45.65%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-105130.1161.5-178.4151.7000107.9T267 H269 I276 D329 E345T267-L343 HydrophobicContact CG2-CB 3.84Å; T267-L343 HydrophobicContact CG2-CD1 3.94Å; T267-L343 HydrophobicContact CG2-CG 3.84Å; T267-L343 WeakPolarHBondContact O-CA 3.36Å; H269-L343 HydrophobicContact CB-CD2 4.49Å; I276-L343 WeakPolarHBondContact CA-O 3.38Å; I276-L343 HydrophobicContact CB-CB 4.1Å; I276-L343 HydrophobicContact CB-CD2 4.33Å; I276-L343 WeakPolarHBondContact CB-O 3.48Å; I276-L343 HydrophobicContact CD1-CD2 3.75Å; I276-L343 HydrophobicContact CG2-CB 4.24Å; I276-L343 PolarHBondContact N-O 2.66Å; I276-L343 PolarHBondContact O-N 3.16Å; D329-L343 HydrophobicContact CB-CB 4.36Å; L343-E345 HydrophobicContact CD2-CG 3.89Å
344L98.8Very high92Very high1 Ų150 Ų501%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-108.7124178.8-55.8-176000109.6I266 T267 I268 H269 L274 W275 L346 T370 I374I266-L344 HydrophobicContact CG2-CD1 3.72Å; I266-L344 HydrophobicContact CG2-CG 3.91Å; T267-L344 PolarHBondContact O-N 3.29Å; I268-L344 HydrophobicContact CG1-CD1 4.45Å; H269-L344 CarbonylContact C-O 3.53Å; H269-L344 VanDerWaalsContact CA-O 3.28Å; H269-L344 WeakPolarHBondContact CA-O 3.07Å; H269-L344 WeakPolarHBondContact CB-O 3.24Å; H269-L344 PolarHBondContact N-O 3.18Å; L274-L344 WeakPolarHBondContact O-CA 3.08Å; W275-L344 HydrophobicContact CB-CD2 4.38Å; W275-L344 HydrophobicContact CD2-CD2 3.32Å; W275-L344 HydrophobicContact CE3-CD2 3.46Å; W275-L344 VanDerWaalsContact CE3-CD2 3.46Å; W275-L344 HydrophobicContact CG-CD2 3.77Å; W275-L344 HydrophobicContact CH2-CD1 4.25Å; W275-L344 HydrophobicContact CH2-CD2 3.94Å; W275-L344 HydrophobicContact CZ2-CD2 3.84Å; W275-L344 HydrophobicContact CZ3-CD1 4.25Å; W275-L344 HydrophobicContact CZ3-CD2 3.77Å; L344-L346 HydrophobicContact CB-CD2 3.99Å; L344-L346 HydrophobicContact CD1-CD2 4.5Å; L344-T370 HydrophobicContact CD1-CG2 4.31Å; L344-I374 HydrophobicContact CD1-CD1 4.17Å; L344-I374 HydrophobicContact CD1-CG1 4.15Å
345E97.8Very high91.6Very high25 Ų2547.2 Ų47.212%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-99.4105.5164.3-66.2-68.617700107.6H269 T270 Y271 Q273 L274 I276 F312 L343H269-E345 WeakPolarHBondContact CB-OE2 3.46Å; T270-E345 VanDerWaalsContact CA-OE2 3.22Å; T270-E345 WeakPolarHBondContact CA-OE2 3.29Å; T270-E345 PolarHBondContact N-OE2 3.01Å; Y271-E345 PolarHBondContact N-OE2 3.24Å; Q273-E345 CarbonylContact C-O 3.56Å; Q273-E345 WeakPolarHBondContact CA-O 3.34Å; Q273-E345 PolarHBondContact N-O 3.34Å; L274-E345 HydrophobicContact CB-CB 3.92Å; L274-E345 HydrophobicContact CB-CG 4.21Å; L274-E345 HydrophobicContact CD1-CG 4.3Å; L274-E345 HydrophobicContact CG-CB 4.22Å; L274-E345 HydrophobicContact CG-CG 4.5Å; L274-E345 PolarHBondContact N-O 2.99Å; L274-E345 PolarHBondContact O-N 3.33Å; I276-E345 HydrophobicContact CD1-CG 4.28Å; F312-E345 VanDerWaalsContact CE1-O 3.26Å; F312-E345 WeakPolarHBondContact CE1-O 3.04Å; L343-E345 HydrophobicContact CD2-CG 3.89Å
346L97.7Very high91.3Very high0 Ų047.5 Ų47.50%021%0.21CC..EExtended strand (participates in β ladder)trans-74.6-170.3-176.8-49.3-177.3000112S141 I268 H269 T270 Y271 S272 Q273 F312 L344 I366 T370S141-L346 WeakPolarHBondContact OG-CD1 3.42Å; I268-L346 HydrophobicContact CG2-CD1 3.57Å; I268-L346 HydrophobicContact CG2-CD2 4.26Å; I268-L346 HydrophobicContact CG2-CG 3.86Å; H269-L346 WeakPolarHBondContact O-CG 3.5Å; H269-L346 PolarHBondContact O-N 2.67Å; T270-L346 HydrophobicContact CG2-CB 3.95Å; T270-L346 HydrophobicContact CG2-CG 4.41Å; Y271-L346 WeakPolarHBondContact CA-O 3.26Å; S272-L346 PolarHBondContact N-O 2.93Å; Q273-L346 PolarHBondContact N-O 2.9Å; Q273-L346 VanDerWaalsContact N-O 3.12Å; F312-L346 HydrophobicContact CE1-CD2 4.32Å; F312-L346 HydrophobicContact CZ-CD2 4.24Å; L344-L346 HydrophobicContact CB-CD2 3.99Å; L344-L346 HydrophobicContact CD1-CD2 4.5Å; L346-I366 HydrophobicContact CB-CG2 3.99Å; L346-I366 HydrophobicContact CD1-CG2 3.7Å; L346-I366 HydrophobicContact CG-CG2 4.45Å; L346-T370 HydrophobicContact CD1-CG2 4.3Å; L346-T370 HydrophobicContact CD2-CG2 3.88Å; L346-T370 WeakPolarHBondContact CD2-OG1 3.28Å
347R95.4Very high91.1Very high22 Ų2247.7 Ų47.78%0.08321%0.211CC..SBendtrans-60159.9172.1-58.9-161.2-163.4177.93.8111.6Q273 Y308 T310 I366 E369Q273-R347 HydrophobicContact CG-CG 4.2Å; Y308-R347 VanDerWaalsContact CB-NH2 3.33Å; T310-R347 HydrophobicContact CG2-CG 3.94Å; T310-R347 PolarHBondContact OG1-NE 2.85Å; T310-R347 PolarHBondContact OG1-NH2 3.48Å; R347-I366 HydrophobicContact CB-CD1 3.76Å; R347-I366 HydrophobicContact CB-CG1 3.76Å; R347-I366 HydrophobicContact CG-CD1 4.43Å; R347-I366 HydrophobicContact CG-CG1 3.88Å; R347-E369 WeakPolarHBondContact CG-OE1 3.45Å; R347-E369 IonicContact CZ-OE1 2.72Å; R347-E369 IonicContact CZ-OE2 2.7Å; R347-E369 IonicContact NE-OE1 3.35Å; R347-E369 PolarHBondContact NE-OE1 2.75Å; R347-E369 IonicContact NE-OE2 3.85Å; R347-E369 PolarHBondContact NE-OE2 2.95Å; R347-E369 IonicContact NH2-OE1 3.82Å; R347-E369 PolarHBondContact NH2-OE1 3.17Å; R347-E369 IonicContact NH2-OE2 2.64Å; R347-E369 PolarHBondContact NH2-OE2 3.5Å
348P93.4Very high90.7Very high13 Ų1340.9 Ų40.98%0.08418%0.182CC..SBendcis-66.3171.4-8.324.4-32.9000114.6Y271 S272 R352 G355Y271-P348 WeakPolarHBondContact CB-O 3.49Å; Y271-P348 HydrophobicContact CD2-CG 4.12Å; Y271-P348 HydrophobicContact CG-CG 4.13Å; S272-P348 WeakPolarHBondContact CA-O 3.27Å; S272-P348 PolarHBondContact N-O 2.67Å; P348-R352 HydrophobicContact CB-CB 3.57Å; P348-R352 HydrophobicContact CB-CG 4.39Å; P348-R352 HydrophobicContact CG-CB 4.49Å; P348-G355 WeakPolarHBondContact CD-O 3.36Å; P348-G355 WeakPolarHBondContact CG-O 3.22Å
349D89.2Confident90.2Very high43 Ų4342.8 Ų42.823%0.2319%0.192CC..PPolyproline II helixtrans-69.8172.3160.652.338000110.9Q273 D351 R352Q273-D349 HydrophobicContact CG-CB 4.26Å; D349-D351 PolarHBondContact O-N 3.11Å; D349-D351 PolarHBondContact OD1-N 3.07Å; D349-R352 PolarHBondContact O-N 2.9Å; D349-R352 WeakPolarHBondContact OD1-CB 2.99Å; D349-R352 VanDerWaalsContact OD1-CG 3.32Å; D349-R352 WeakPolarHBondContact OD1-CG 3.4Å; D349-R352 PolarHBondContact OD1-N 2.93Å
350E80.6Confident89.5Confident75 Ų7539.9 Ų39.935%0.3518%0.18SC..THydrogen-bonded Turntrans-64.1-20.4179.1-63.9171.9145.100113.2S272 K313S272-E350 WeakPolarHBondContact OG-CG 3.49Å; K313-E350 IonicContact NZ-OE2 3.45Å; K313-E350 PolarHBondContact NZ-OE2 3.32Å
351D75.2Confident89Confident144 Ų14441.8 Ų41.877%0.7719%0.19SC*.THydrogen-bonded Turntrans-88.5-18.4-175.1-64.7-42.2000112.9D349D349-D351 PolarHBondContact O-N 3.11Å; D349-D351 PolarHBondContact OD1-N 3.07Å
352R72.9Confident88.5Confident132 Ų13244.2 Ų44.250%0.49820%0.201SC..SBendtrans-83.8120.2-178.7-85.8-176.6-170.3-143.63.5111.9P348 D349 Y354 G355P348-R352 HydrophobicContact CB-CB 3.57Å; P348-R352 HydrophobicContact CB-CG 4.39Å; P348-R352 HydrophobicContact CG-CB 4.49Å; D349-R352 PolarHBondContact O-N 2.9Å; D349-R352 WeakPolarHBondContact OD1-CB 2.99Å; D349-R352 VanDerWaalsContact OD1-CG 3.32Å; D349-R352 WeakPolarHBondContact OD1-CG 3.4Å; D349-R352 PolarHBondContact OD1-N 2.93Å; R352-Y354 PolarHBondContact O-N 2.99Å; R352-G355 PolarHBondContact O-N 3.13Å
353R66.9Low88.1Confident161 Ų16144.2 Ų44.261%0.60820%0.201SC*.THydrogen-bonded Turntrans-58-12.8-165.1-57.9-174.7-168-170.53.1118.1T29 V30T29-R353 HydrophobicContact CG2-CG 4.45Å; V30-R353 VanDerWaalsContact CG2-O 3.27Å; V30-R353 WeakPolarHBondContact CG2-O 3.4Å
354Y81.9Confident87.6Confident109 Ų10943.9 Ų43.943%0.42720%0.199SC..THydrogen-bonded Turntrans-105.5-9.5-169.5-49.7-36.3000114.3V30 L36 M40 R352 F356 I357V30-Y354 HydrophobicContact CG2-CD1 4Å; V30-Y354 HydrophobicContact CG2-CE1 4.45Å; L36-Y354 HydrophobicContact CD1-CD1 4.05Å; L36-Y354 HydrophobicContact CD1-CE1 4.01Å; L36-Y354 HydrophobicContact CD1-CG 4.41Å; L36-Y354 HydrophobicContact CD2-CD1 3.43Å; L36-Y354 VanDerWaalsContact CD2-CD1 3.43Å; L36-Y354 HydrophobicContact CD2-CE1 4.05Å; L36-Y354 HydrophobicContact CD2-CG 3.97Å; L36-Y354 HydrophobicContact CG-CD1 4.39Å; M40-Y354 HydrophobicContact CE-CD2 4.42Å; M40-Y354 HydrophobicContact CE-CE2 3.99Å; R352-Y354 PolarHBondContact O-N 2.99Å; Y354-F356 PolarHBondContact O-N 3.01Å; Y354-I357 WeakPolarHBondContact CB-O 3.44Å; Y354-I357 PolarHBondContact O-N 3.48Å
355G88.1Confident87.4Confident6 Ų645 Ų456%0.06221%0.206CC..THydrogen-bonded Turntrans48.7-111.4175.900000113.2Y271 P348 R352 I357Y271-G355 VanDerWaalsContact CE1-CA 3.43Å; P348-G355 WeakPolarHBondContact CD-O 3.36Å; P348-G355 WeakPolarHBondContact CG-O 3.22Å; R352-G355 PolarHBondContact O-N 3.13Å; G355-I357 VanDerWaalsContact C-N 3.3Å; G355-I357 PolarHBondContact O-N 3.03Å
356F93Very high87.3Confident38 Ų3843.8 Ų43.817%0.16720%0.201CC..THydrogen-bonded Turntrans-74.1-13-179.2-49.8-70000115R134 E135 R191 L192 T270 Y271 Y354 V358R134-F356 HydrophobicContact CG-CB 4.46Å; R134-F356 HydrophobicContact CG-CD1 3.95Å; R134-F356 HydrophobicContact CG-CD2 4.36Å; R134-F356 HydrophobicContact CG-CE1 4.27Å; R134-F356 HydrophobicContact CG-CG 3.99Å; R134-F356 VanDerWaalsContact NE-CE2 3.29Å; R134-F356 VanDerWaalsContact NE-CZ 3.28Å; E135-F356 HydrophobicContact CG-CD1 3.89Å; E135-F356 HydrophobicContact CG-CE1 3.96Å; R191-F356 PolarHBondContact NH2-O 3.43Å; R191-F356 VanDerWaalsContact NH2-O 3.14Å; L192-F356 HydrophobicContact CD2-CB 4.03Å; L192-F356 HydrophobicContact CD2-CD2 4.37Å; T270-F356 VanDerWaalsContact O-CE1 3.26Å; T270-F356 WeakPolarHBondContact O-CE1 3.31Å; Y271-F356 AromaticContact CD1-CD1 3.76Å; Y271-F356 HydrophobicContact CD1-CD1 3.76Å; Y271-F356 AromaticContact CD1-CE1 3.58Å; Y271-F356 HydrophobicContact CD1-CE1 3.58Å; Y271-F356 HydrophobicContact CD1-CE2 4.33Å; Y271-F356 HydrophobicContact CD1-CG 4.23Å; Y271-F356 AromaticContact CD1-CZ 3.86Å; Y271-F356 HydrophobicContact CD1-CZ 3.86Å; Y271-F356 HydrophobicContact CE1-CD1 4.16Å; Y271-F356 HydrophobicContact CE1-CD2 4.12Å; Y271-F356 AromaticContact CE1-CE1 3.82Å; Y271-F356 HydrophobicContact CE1-CE1 3.82Å; Y271-F356 AromaticContact CE1-CE2 3.76Å; Y271-F356 HydrophobicContact CE1-CE2 3.76Å; Y271-F356 HydrophobicContact CE1-CG 4.29Å; Y271-F356 AromaticContact CE1-CZ 3.59Å; Y271-F356 HydrophobicContact CE1-CZ 3.59Å; Y354-F356 PolarHBondContact O-N 3.01Å; F356-V358 PolarHBondContact O-N 3.1Å
357I92.7Very high87.2Confident7 Ų743.8 Ų43.84%0.03620%0.201CC..SBendtrans-92.379.3177.6-53.9162000107.7V33 L36 I37 M40 L192 Y354 G355V33-I357 HydrophobicContact CG1-CD1 3.92Å; L36-I357 HydrophobicContact CD2-CB 4.4Å; L36-I357 HydrophobicContact CD2-CD1 3.84Å; L36-I357 HydrophobicContact CD2-CG2 4.4Å; L36-I357 HydrophobicContact CG-CD1 4.26Å; L36-I357 HydrophobicContact CG-CG2 4.12Å; I37-I357 HydrophobicContact CD1-CD1 4.21Å; I37-I357 HydrophobicContact CG1-CD1 3.55Å; I37-I357 HydrophobicContact CG1-CG1 3.98Å; M40-I357 HydrophobicContact CB-CG2 3.9Å; M40-I357 HydrophobicContact CG-CG2 4.13Å; L192-I357 HydrophobicContact CD2-CG1 4.19Å; Y354-I357 WeakPolarHBondContact CB-O 3.44Å; Y354-I357 PolarHBondContact O-N 3.48Å; G355-I357 VanDerWaalsContact C-N 3.3Å; G355-I357 PolarHBondContact O-N 3.03Å
358V89.4Confident87.2Confident9 Ų947 Ų476%0.05521%0.213CC..  trans-82.8131.5-175.1-176.50000110.2Y69 A137 F356 P360 Q362 I366Y69-V358 PolarHBondContact OH-O 2.83Å; A137-V358 HydrophobicContact CB-CG2 4.38Å; F356-V358 PolarHBondContact O-N 3.1Å; V358-P360 WeakPolarHBondContact O-CD 3.46Å; V358-Q362 HydrophobicContact CG1-CB 4Å; V358-I366 HydrophobicContact CG1-CD1 3.69Å
359D87.8Confident87.4Confident41 Ų4146.3 Ų46.322%0.21921%0.209CC..  trans-51.7123.5170.8-175-27.8000110.3K44 D361 Q362K44-D359 WeakPolarHBondContact CE-OD1 3.43Å; K44-D359 IonicContact NZ-OD1 2.69Å; K44-D359 PolarHBondContact NZ-OD1 3.06Å; K44-D359 IonicContact NZ-OD2 3.76Å; K44-D359 PolarHBondContact NZ-OD2 3.42Å; D359-D361 PolarHBondContact O-N 2.97Å; D359-D361 WeakPolarHBondContact OD1-CB 3.09Å; D359-D361 PolarHBondContact OD1-N 3.49Å; D359-Q362 HydrophobicContact CB-CG 4.03Å; D359-Q362 WeakPolarHBondContact O-CA 3.49Å; D359-Q362 WeakPolarHBondContact O-CB 3.34Å; D359-Q362 PolarHBondContact O-N 3.08Å
360P84.6Confident87.8Confident0 Ų044.3 Ų44.30%020%0.198CC..Hα-helixtrans-52.4-27.3178-2631.1000114.7M40 P45 Y69 V358 Q362 L363M40-P360 WeakPolarHBondContact O-CD 3.34Å; M40-P360 WeakPolarHBondContact O-CG 3.32Å; P45-P360 HydrophobicContact CG-CG 3.92Å; Y69-P360 HydrophobicContact CD2-CG 4.49Å; Y69-P360 HydrophobicContact CE2-CG 4.16Å; V358-P360 WeakPolarHBondContact O-CD 3.46Å; P360-Q362 PolarHBondContact O-N 3.34Å; P360-L363 WeakPolarHBondContact O-CB 3.41Å; P360-L363 PolarHBondContact O-N 2.94Å
361D86.5Confident88.6Confident42 Ų4240.9 Ų40.923%0.22518%0.182CC..Hα-helixtrans-70-20.6176.5-65.3-21.9000112.9K44 R52 D359 P365K44-D361 WeakPolarHBondContact CE-OD2 3.32Å; K44-D361 IonicContact NZ-OD2 2.72Å; K44-D361 PolarHBondContact NZ-OD2 2.99Å; R52-D361 IonicContact CZ-OD1 2.68Å; R52-D361 IonicContact NH1-OD1 3.16Å; R52-D361 PolarHBondContact NH1-OD1 3.05Å; R52-D361 VanDerWaalsContact NH2-CG 3.33Å; R52-D361 IonicContact NH2-OD1 3.39Å; R52-D361 PolarHBondContact NH2-OD1 2.91Å; R52-D361 IonicContact NH2-OD2 3.1Å; D359-D361 PolarHBondContact O-N 2.97Å; D359-D361 WeakPolarHBondContact OD1-CB 3.09Å; D359-D361 PolarHBondContact OD1-N 3.49Å; D361-P365 WeakPolarHBondContact O-CD 3.49Å; D361-P365 WeakPolarHBondContact O-CG 3.27Å
362Q90.1Very high89.7Confident51 Ų5136 Ų3624%0.23815%0.154CC..Hα-helixtrans-88.8-17.9178.3-62.9-64.7-70.500112.8V358 D359 P360 L364 P365 I366V358-Q362 HydrophobicContact CG1-CB 4Å; D359-Q362 HydrophobicContact CB-CG 4.03Å; D359-Q362 WeakPolarHBondContact O-CA 3.49Å; D359-Q362 WeakPolarHBondContact O-CB 3.34Å; D359-Q362 PolarHBondContact O-N 3.08Å; P360-Q362 PolarHBondContact O-N 3.34Å; Q362-L364 PolarHBondContact O-N 3.02Å; Q362-P365 VanDerWaalsContact O-CD 3.29Å; Q362-P365 WeakPolarHBondContact O-CD 3.42Å; Q362-I366 HydrophobicContact CB-CD1 3.95Å; Q362-I366 HydrophobicContact CB-CG1 4.44Å; Q362-I366 WeakPolarHBondContact O-CB 3.3Å; Q362-I366 WeakPolarHBondContact O-CD1 3.01Å; Q362-I366 WeakPolarHBondContact O-CG1 3.33Å; Q362-I366 PolarHBondContact O-N 2.8Å
363L88.9Confident90.9Very high1 Ų129.7 Ų29.71%0.00513%0.131CC..Hα-helixtrans-53.3-50.6-178.4-80.1178.8000113.4F66 Y69 A137 T140 P360 A367F66-L363 WeakPolarHBondContact O-CD1 3.49Å; Y69-L363 HydrophobicContact CD1-CD1 4.12Å; Y69-L363 HydrophobicContact CD2-CD1 4.48Å; Y69-L363 HydrophobicContact CE1-CD1 3.42Å; Y69-L363 VanDerWaalsContact CE1-CD1 3.42Å; Y69-L363 HydrophobicContact CE1-CD2 3.9Å; Y69-L363 HydrophobicContact CE1-CG 4.15Å; Y69-L363 HydrophobicContact CE2-CD1 3.86Å; Y69-L363 WeakPolarHBondContact OH-CD1 3.48Å; Y69-L363 WeakPolarHBondContact OH-CD2 3.26Å; Y69-L363 WeakPolarHBondContact OH-CG 3.38Å; A137-L363 HydrophobicContact CB-CD2 3.85Å; T140-L363 HydrophobicContact CG2-CB 4.18Å; T140-L363 HydrophobicContact CG2-CD2 4.15Å; P360-L363 WeakPolarHBondContact O-CB 3.41Å; P360-L363 PolarHBondContact O-N 2.94Å; L363-A367 WeakPolarHBondContact O-CB 3.39Å; L363-A367 PolarHBondContact O-N 3.46Å
364L89.2Confident92.4Very high1 Ų122 Ų221%0.00510%0.102CC..Hα-helixtrans-72.8-42.4-179.3-167.468.8000112.7F56 F66 Y67 Y144 Q362 I366 A367 R368F56-L364 HydrophobicContact CE1-CD2 4.48Å; F56-L364 HydrophobicContact CZ-CD1 4.45Å; F56-L364 HydrophobicContact CZ-CD2 3.92Å; F66-L364 HydrophobicContact CB-CD1 4.09Å; F66-L364 HydrophobicContact CD2-CD1 4.47Å; F66-L364 HydrophobicContact CG-CD1 4.18Å; Y67-L364 HydrophobicContact CE1-CB 3.85Å; Y67-L364 HydrophobicContact CE1-CD2 4.22Å; Y67-L364 HydrophobicContact CE2-CD2 4.34Å; Y67-L364 WeakPolarHBondContact OH-CD2 3.35Å; Y144-L364 HydrophobicContact CD2-CD1 3.54Å; Y144-L364 HydrophobicContact CE2-CD1 3.54Å; Y144-L364 HydrophobicContact CG-CD1 4.49Å; Q362-L364 PolarHBondContact O-N 3.02Å; L364-I366 VanDerWaalsContact C-N 3.32Å; L364-I366 PolarHBondContact O-N 2.89Å; L364-A367 PolarHBondContact O-N 2.8Å; L364-R368 HydrophobicContact CG-CG 4.32Å; L364-R368 VanDerWaalsContact O-CB 3.31Å; L364-R368 WeakPolarHBondContact O-CB 3.26Å; L364-R368 VanDerWaalsContact O-CG 3.26Å; L364-R368 WeakPolarHBondContact O-CG 3.5Å; L364-R368 PolarHBondContact O-N 2.86Å
365P94.1Very high93.1Very high24 Ų2418.9 Ų18.916%0.1569%0.089CC..Hα-helixtrans-51.9-46.6168.6-30.935.4000113.9Y308 D361 Q362 R368 E369Y308-P365 HydrophobicContact CD2-CB 4.17Å; Y308-P365 HydrophobicContact CE2-CB 3.83Å; Y308-P365 WeakPolarHBondContact CE2-O 3.47Å; D361-P365 WeakPolarHBondContact O-CD 3.49Å; D361-P365 WeakPolarHBondContact O-CG 3.27Å; Q362-P365 VanDerWaalsContact O-CD 3.29Å; Q362-P365 WeakPolarHBondContact O-CD 3.42Å; P365-R368 PolarHBondContact O-N 3.27Å; P365-E369 WeakPolarHBondContact O-CG 3.5Å; P365-E369 PolarHBondContact O-N 3.16Å
366I95.3Very high93.6Very high1 Ų119.3 Ų19.31%0.0059%0.09CC..Hα-helixtrans-60-49.4177.2-68.7164.8000110.4A137 L346 R347 V358 Q362 L364 R368 E369 T370A137-I366 HydrophobicContact CB-CD1 4.33Å; A137-I366 HydrophobicContact CB-CG2 4.49Å; L346-I366 HydrophobicContact CB-CG2 3.99Å; L346-I366 HydrophobicContact CD1-CG2 3.7Å; L346-I366 HydrophobicContact CG-CG2 4.45Å; R347-I366 HydrophobicContact CB-CD1 3.76Å; R347-I366 HydrophobicContact CB-CG1 3.76Å; R347-I366 HydrophobicContact CG-CD1 4.43Å; R347-I366 HydrophobicContact CG-CG1 3.88Å; V358-I366 HydrophobicContact CG1-CD1 3.69Å; Q362-I366 HydrophobicContact CB-CD1 3.95Å; Q362-I366 HydrophobicContact CB-CG1 4.44Å; Q362-I366 WeakPolarHBondContact O-CB 3.3Å; Q362-I366 WeakPolarHBondContact O-CD1 3.01Å; Q362-I366 WeakPolarHBondContact O-CG1 3.33Å; Q362-I366 PolarHBondContact O-N 2.8Å; L364-I366 VanDerWaalsContact C-N 3.32Å; L364-I366 PolarHBondContact O-N 2.89Å; I366-R368 VanDerWaalsContact C-N 3.33Å; I366-R368 PolarHBondContact O-N 2.64Å; I366-E369 WeakPolarHBondContact O-CG 3.35Å; I366-T370 VanDerWaalsContact O-CB 3.25Å; I366-T370 WeakPolarHBondContact O-CB 3.18Å; I366-T370 PolarHBondContact O-N 2.88Å; I366-T370 PolarHBondContact O-OG1 3.14Å
367A95.4Very high93.9Very high0 Ų017.5 Ų17.50%08%0.082CC..Hα-helixtrans-63.4-39.2-179.500000112.7Y144 L363 L364 W371Y144-A367 HydrophobicContact CD1-CB 3.77Å; Y144-A367 WeakPolarHBondContact CD1-O 3.44Å; Y144-A367 HydrophobicContact CD2-CB 4.33Å; Y144-A367 HydrophobicContact CG-CB 3.61Å; L363-A367 WeakPolarHBondContact O-CB 3.39Å; L363-A367 PolarHBondContact O-N 3.46Å; L364-A367 PolarHBondContact O-N 2.8Å; A367-W371 PolarHBondContact O-N 3.27Å; A367-W371 VanDerWaalsContact O-N 3.15Å
368R95.2Very high94.1Very high88 Ų8817.1 Ų17.133%0.3328%0.081SC..Hα-helixtrans-63.7-50.3178.4-80.6173.4175.4176.10.3112.3Y144 L307 Y308 L364 P365 I366 T370 W371 E372Y144-R368 HydrophobicContact CE1-CB 4.44Å; Y144-R368 HydrophobicContact CE1-CG 3.96Å; Y144-R368 HydrophobicContact CE2-CG 4.25Å; Y144-R368 WeakPolarHBondContact OH-CG 3.31Å; L307-R368 HydrophobicContact CD2-CB 3.83Å; Y308-R368 HydrophobicContact CE2-CB 4.15Å; Y308-R368 WeakPolarHBondContact OH-CD 3.31Å; L364-R368 HydrophobicContact CG-CG 4.32Å; L364-R368 VanDerWaalsContact O-CB 3.31Å; L364-R368 WeakPolarHBondContact O-CB 3.26Å; L364-R368 VanDerWaalsContact O-CG 3.26Å; L364-R368 WeakPolarHBondContact O-CG 3.5Å; L364-R368 PolarHBondContact O-N 2.86Å; P365-R368 PolarHBondContact O-N 3.27Å; I366-R368 VanDerWaalsContact C-N 3.33Å; I366-R368 PolarHBondContact O-N 2.64Å; R368-T370 VanDerWaalsContact C-N 3.34Å; R368-W371 PolarHBondContact O-N 3.44Å; R368-E372 PolarHBondContact O-N 3.11Å
369E97.8Very high94.5Very high0 Ų018.1 Ų18.10%09%0.086CC..Hα-helixtrans-70.1-34.2-179.973.3-177.3-175.700111.9L304 L307 Y308 T310 R347 P365 I366 W371 E372 G373L304-E369 HydrophobicContact CD1-CG 4.27Å; L304-E369 HydrophobicContact CD2-CB 4.11Å; L304-E369 HydrophobicContact CD2-CG 3.92Å; L304-E369 HydrophobicContact CG-CB 3.81Å; L304-E369 HydrophobicContact CG-CG 3.83Å; L304-E369 VanDerWaalsContact CG-O 3.32Å; L304-E369 WeakPolarHBondContact CG-O 3.14Å; L307-E369 HydrophobicContact CB-CB 4.46Å; L307-E369 HydrophobicContact CD2-CB 4.14Å; Y308-E369 HydrophobicContact CD2-CB 4.03Å; Y308-E369 HydrophobicContact CE2-CB 4.44Å; T310-E369 VanDerWaalsContact CB-OE2 3.32Å; T310-E369 WeakPolarHBondContact CB-OE2 3.26Å; T310-E369 PolarHBondContact OG1-OE1 2.64Å; T310-E369 PolarHBondContact OG1-OE2 3.47Å; R347-E369 WeakPolarHBondContact CG-OE1 3.45Å; R347-E369 IonicContact CZ-OE1 2.72Å; R347-E369 IonicContact CZ-OE2 2.7Å; R347-E369 IonicContact NE-OE1 3.35Å; R347-E369 PolarHBondContact NE-OE1 2.75Å; R347-E369 IonicContact NE-OE2 3.85Å; R347-E369 PolarHBondContact NE-OE2 2.95Å; R347-E369 IonicContact NH2-OE1 3.82Å; R347-E369 PolarHBondContact NH2-OE1 3.17Å; R347-E369 IonicContact NH2-OE2 2.64Å; R347-E369 PolarHBondContact NH2-OE2 3.5Å; P365-E369 WeakPolarHBondContact O-CG 3.5Å; P365-E369 PolarHBondContact O-N 3.16Å; I366-E369 WeakPolarHBondContact O-CG 3.35Å; E369-W371 VanDerWaalsContact C-N 3.29Å; E369-W371 PolarHBondContact O-N 3.13Å; E369-E372 WeakPolarHBondContact O-CB 3.23Å; E369-E372 PolarHBondContact O-N 2.8Å; E369-G373 PolarHBondContact O-N 3.25Å
370T98.4Very high94.9Very high0 Ų017.2 Ų17.20%08%0.08CC..Hα-helixtrans-59.9-41.7176.3-59.90000110.9L344 L346 I366 R368 E372 G373 I374L344-T370 HydrophobicContact CD1-CG2 4.31Å; L346-T370 HydrophobicContact CD1-CG2 4.3Å; L346-T370 HydrophobicContact CD2-CG2 3.88Å; L346-T370 WeakPolarHBondContact CD2-OG1 3.28Å; I366-T370 VanDerWaalsContact O-CB 3.25Å; I366-T370 WeakPolarHBondContact O-CB 3.18Å; I366-T370 PolarHBondContact O-N 2.88Å; I366-T370 PolarHBondContact O-OG1 3.14Å; R368-T370 VanDerWaalsContact C-N 3.34Å; T370-E372 VanDerWaalsContact C-N 3.32Å; T370-E372 PolarHBondContact O-N 3.38Å; T370-G373 PolarHBondContact O-N 2.98Å; T370-I374 HydrophobicContact CG2-CD1 3.8Å; T370-I374 HydrophobicContact CG2-CG1 4.43Å; T370-I374 WeakPolarHBondContact O-CG1 3.13Å; T370-I374 PolarHBondContact O-N 3.16Å
371W97.5Very high95.5Very high4 Ų417.2 Ų17.22%0.0158%0.08CC..Hα-helixtrans-59.6-40.1173.1169.5-104.9000112.7Y144 I145 L149 M159 Y162 W168 A367 R368 E369 G373 I374 R375Y144-W371 HydrophobicContact CE1-CB 4.26Å; I145-W371 HydrophobicContact CB-CE3 4.44Å; I145-W371 HydrophobicContact CG1-CE3 4.18Å; I145-W371 HydrophobicContact CG2-CE3 3.9Å; I145-W371 HydrophobicContact CG2-CZ3 3.88Å; L149-W371 HydrophobicContact CD2-CH2 3.76Å; L149-W371 HydrophobicContact CD2-CZ3 4.18Å; L149-W371 HydrophobicContact CG-CH2 4.33Å; L149-W371 HydrophobicContact CG-CZ3 4.35Å; M159-W371 HydrophobicContact CE-CH2 4.02Å; M159-W371 HydrophobicContact CE-CZ2 3.54Å; M159-W371 HydrophobicContact SD-CZ2 3.78Å; Y162-W371 HydrophobicContact CD2-CH2 4.18Å; Y162-W371 HydrophobicContact CD2-CZ2 4.14Å; Y162-W371 HydrophobicContact CE2-CH2 4.3Å; Y162-W371 AromaticContact CE2-CZ2 3.93Å; Y162-W371 HydrophobicContact CE2-CZ2 3.93Å; W168-W371 HydrophobicContact CH2-CH2 4.13Å; W168-W371 AromaticContact CH2-CZ3 4Å; W168-W371 HydrophobicContact CH2-CZ3 4Å; W168-W371 HydrophobicContact CZ2-CH2 4.43Å; W168-W371 HydrophobicContact CZ3-CZ3 4.33Å; A367-W371 PolarHBondContact O-N 3.27Å; A367-W371 VanDerWaalsContact O-N 3.15Å; R368-W371 PolarHBondContact O-N 3.44Å; E369-W371 VanDerWaalsContact C-N 3.29Å; E369-W371 PolarHBondContact O-N 3.13Å; W371-G373 VanDerWaalsContact C-N 3.27Å; W371-G373 PolarHBondContact O-N 2.8Å; W371-I374 PolarHBondContact O-N 3.24Å; W371-R375 HydrophobicContact CH2-CB 4.34Å; W371-R375 HydrophobicContact CZ2-CB 4Å; W371-R375 WeakPolarHBondContact O-CB 3.44Å; W371-R375 WeakPolarHBondContact O-CG 2.95Å; W371-R375 PolarHBondContact O-N 3.48Å
372E97.9Very high95.9Very high40 Ų4015.4 Ų15.419%0.1877%0.07CC..Hα-helixtrans-62.9-33.3179-64.4-58.9120.800112.5A303 L307 R368 E369 T370 R375A303-E372 WeakPolarHBondContact CB-O 2.94Å; L307-E372 HydrophobicContact CD2-CG 4.2Å; R368-E372 PolarHBondContact O-N 3.11Å; E369-E372 WeakPolarHBondContact O-CB 3.23Å; E369-E372 PolarHBondContact O-N 2.8Å; T370-E372 VanDerWaalsContact C-N 3.32Å; T370-E372 PolarHBondContact O-N 3.38Å; E372-R375 VanDerWaalsContact O-CG 3.27Å; E372-R375 WeakPolarHBondContact O-CG 3.43Å; E372-R375 IonicContact OE1-NE 3.78Å; E372-R375 IonicContact OE2-CZ 2.69Å; E372-R375 IonicContact OE2-NE 3.97Å; E372-R375 PolarHBondContact OE2-NE 3.18Å; E372-R375 IonicContact OE2-NH2 2.57Å; E372-R375 PolarHBondContact OE2-NH2 3.47Å
373G98.5Very high96.1Very high0 Ų016.9 Ų16.90%08%0.077CC..Hα-helixtrans-73-50.8170.400000112.8A300 E369 T370 W371 R375 V376A300-G373 WeakPolarHBondContact CB-O 3.37Å; A300-G373 WeakPolarHBondContact O-CA 3.43Å; E369-G373 PolarHBondContact O-N 3.25Å; T370-G373 PolarHBondContact O-N 2.98Å; W371-G373 VanDerWaalsContact C-N 3.27Å; W371-G373 PolarHBondContact O-N 2.8Å; G373-R375 VanDerWaalsContact C-N 3.27Å; G373-R375 PolarHBondContact O-N 3.45Å; G373-V376 WeakPolarHBondContact O-CB 3.43Å; G373-V376 PolarHBondContact O-N 2.83Å
374I98.6Very high96Very high1 Ų121.2 Ų21.21%0.00510%0.097CC..Hα-helixtrans-60.5-36.5-176.5-72.3174.9000111.8I127 I145 W168 I266 I268 W275 L344 T370 W371 V376 V377 A378I127-I374 HydrophobicContact CD1-CD1 4.48Å; I127-I374 HydrophobicContact CD1-CG2 3.99Å; I145-I374 HydrophobicContact CD1-CD1 3.45Å; I145-I374 VanDerWaalsContact CD1-CD1 3.45Å; W168-I374 HydrophobicContact CZ3-CG2 4.11Å; I266-I374 HydrophobicContact CD1-CG1 4.1Å; I266-I374 HydrophobicContact CD1-CG2 4.14Å; I266-I374 HydrophobicContact CG2-CD1 4.45Å; I268-I374 HydrophobicContact CD1-CD1 4.08Å; W275-I374 HydrophobicContact CH2-CG1 4.49Å; L344-I374 HydrophobicContact CD1-CD1 4.17Å; L344-I374 HydrophobicContact CD1-CG1 4.15Å; T370-I374 HydrophobicContact CG2-CD1 3.8Å; T370-I374 HydrophobicContact CG2-CG1 4.43Å; T370-I374 WeakPolarHBondContact O-CG1 3.13Å; T370-I374 PolarHBondContact O-N 3.16Å; W371-I374 PolarHBondContact O-N 3.24Å; I374-V376 PolarHBondContact O-N 3.05Å; I374-V377 WeakPolarHBondContact O-CB 3.23Å; I374-V377 PolarHBondContact O-N 2.91Å; I374-V377 VanDerWaalsContact O-N 3.12Å; I374-A378 PolarHBondContact O-N 2.89Å
375R96.8Very high95.6Very high43 Ų4323.3 Ų23.316%0.16211%0.107CC..Hα-helixtrans-64.2-25.5177.473.7174.6-179.271.34.4113.3W371 E372 G373 A378 D379W371-R375 HydrophobicContact CH2-CB 4.34Å; W371-R375 HydrophobicContact CZ2-CB 4Å; W371-R375 WeakPolarHBondContact O-CB 3.44Å; W371-R375 WeakPolarHBondContact O-CG 2.95Å; W371-R375 PolarHBondContact O-N 3.48Å; E372-R375 VanDerWaalsContact O-CG 3.27Å; E372-R375 WeakPolarHBondContact O-CG 3.43Å; E372-R375 IonicContact OE1-NE 3.78Å; E372-R375 IonicContact OE2-CZ 2.69Å; E372-R375 IonicContact OE2-NE 3.97Å; E372-R375 PolarHBondContact OE2-NE 3.18Å; E372-R375 IonicContact OE2-NH2 2.57Å; E372-R375 PolarHBondContact OE2-NH2 3.47Å; G373-R375 VanDerWaalsContact C-N 3.27Å; G373-R375 PolarHBondContact O-N 3.45Å; R375-A378 PolarHBondContact O-N 3.39Å; R375-D379 WeakPolarHBondContact O-CB 3.49Å; R375-D379 VanDerWaalsContact O-CG 3.3Å; R375-D379 PolarHBondContact O-N 2.93Å
376V98.2Very high94.4Very high14 Ų1425.5 Ų25.59%0.08513%0.134CC..Hα-helixtrans-69.3-40.4173.8174.50000110.8R299 A300 A303 G373 I374 A378 D379 K380R299-V376 HydrophobicContact CB-CG1 3.83Å; A300-V376 HydrophobicContact CB-CB 4.05Å; A300-V376 HydrophobicContact CB-CG1 4.25Å; A303-V376 HydrophobicContact CB-CG2 3.62Å; G373-V376 WeakPolarHBondContact O-CB 3.43Å; G373-V376 PolarHBondContact O-N 2.83Å; I374-V376 PolarHBondContact O-N 3.05Å; V376-A378 VanDerWaalsContact C-N 3.3Å; V376-D379 PolarHBondContact O-N 3.38Å; V376-K380 PolarHBondContact O-N 3Å
377V98.5Very high92.6Very high0 Ų031.3 Ų31.30%016%0.156CC..Hα-helixtrans-62.5-43.2172.6-177.40000109.9A264 I266 W275 T296 Y342 I374 D379 K380 V381A264-V377 HydrophobicContact CB-CG1 3.91Å; I266-V377 HydrophobicContact CD1-CB 4.33Å; I266-V377 HydrophobicContact CD1-CG1 4.26Å; I266-V377 HydrophobicContact CD1-CG2 4.42Å; W275-V377 HydrophobicContact CH2-CG2 4.37Å; W275-V377 HydrophobicContact CZ2-CG2 3.7Å; T296-V377 HydrophobicContact CG2-CG2 4.29Å; Y342-V377 HydrophobicContact CD2-CG1 4.35Å; Y342-V377 HydrophobicContact CD2-CG2 4Å; Y342-V377 HydrophobicContact CE2-CG1 3.97Å; Y342-V377 HydrophobicContact CE2-CG2 3.71Å; I374-V377 WeakPolarHBondContact O-CB 3.23Å; I374-V377 PolarHBondContact O-N 2.91Å; I374-V377 VanDerWaalsContact O-N 3.12Å; V377-D379 PolarHBondContact O-N 3.02Å; V377-K380 WeakPolarHBondContact O-CB 3.24Å; V377-K380 PolarHBondContact O-N 3.38Å; V377-K380 VanDerWaalsContact O-N 3.16Å; V377-V381 WeakPolarHBondContact O-CG2 3.32Å; V377-V381 PolarHBondContact O-N 2.85Å
378A97.7Very high90.5Very high0 Ų039.1 Ų39.10%020%0.196CC..Hα-helixtrans-61.5-44.1177.300000112.7I125 Y162 L166 W168 I374 R375 V376 K380 V381 I382I125-A378 HydrophobicContact CD1-CB 3.59Å; Y162-A378 HydrophobicContact CD1-CB 4.11Å; Y162-A378 HydrophobicContact CE1-CB 3.98Å; L166-A378 HydrophobicContact CD1-CB 3.8Å; W168-A378 HydrophobicContact CH2-CB 3.43Å; W168-A378 VanDerWaalsContact CH2-CB 3.43Å; W168-A378 HydrophobicContact CZ2-CB 3.83Å; W168-A378 HydrophobicContact CZ3-CB 4.41Å; I374-A378 PolarHBondContact O-N 2.89Å; R375-A378 PolarHBondContact O-N 3.39Å; V376-A378 VanDerWaalsContact C-N 3.3Å; A378-K380 VanDerWaalsContact C-N 3.29Å; A378-K380 PolarHBondContact O-N 3.48Å; A378-V381 PolarHBondContact O-N 3.1Å; A378-I382 WeakPolarHBondContact O-CG1 3.34Å; A378-I382 PolarHBondContact O-N 2.96Å
379D96.8Very high90.2Very high30 Ų3036.7 Ų36.716%0.1619%0.189CC..Hα-helixtrans-58.3-42.1173.5-77.6-18.2000111.4K161 Y162 R375 V376 V377 V381 I382 E383K161-D379 WeakPolarHBondContact CE-OD1 3.5Å; K161-D379 VanDerWaalsContact NZ-CG 3.32Å; K161-D379 IonicContact NZ-OD1 3.46Å; K161-D379 PolarHBondContact NZ-OD1 3.17Å; K161-D379 IonicContact NZ-OD2 3.45Å; K161-D379 PolarHBondContact NZ-OD2 3.42Å; Y162-D379 VanDerWaalsContact CE1-OD1 3.24Å; Y162-D379 WeakPolarHBondContact CE1-OD1 3.43Å; Y162-D379 PolarHBondContact OH-OD1 3.5Å; R375-D379 WeakPolarHBondContact O-CB 3.49Å; R375-D379 VanDerWaalsContact O-CG 3.3Å; R375-D379 PolarHBondContact O-N 2.93Å; V376-D379 PolarHBondContact O-N 3.38Å; V377-D379 PolarHBondContact O-N 3.02Å; D379-V381 PolarHBondContact O-N 2.92Å; D379-I382 PolarHBondContact O-N 3Å; D379-E383 WeakPolarHBondContact O-CB 3.23Å; D379-E383 PolarHBondContact O-N 3.01Å
380K97.1Very high89.8Confident21 Ų2138.6 Ų38.69%0.09120%0.199CC..Hα-helixtrans-66-35.7176.6-172.858.1169.8-1760112.9D292 T296 Y340 V376 V377 A378 E383 Q384D292-K380 WeakPolarHBondContact OD1-CE 3.41Å; D292-K380 IonicContact OD1-NZ 3.87Å; T296-K380 HydrophobicContact CG2-CB 3.98Å; T296-K380 HydrophobicContact CG2-CG 4.09Å; Y340-K380 HydrophobicContact CE1-CG 3.81Å; Y340-K380 HydrophobicContact CE2-CG 4.2Å; Y340-K380 WeakPolarHBondContact OH-CE 3.34Å; Y340-K380 WeakPolarHBondContact OH-CG 3.47Å; V376-K380 PolarHBondContact O-N 3Å; V377-K380 WeakPolarHBondContact O-CB 3.24Å; V377-K380 PolarHBondContact O-N 3.38Å; V377-K380 VanDerWaalsContact O-N 3.16Å; A378-K380 VanDerWaalsContact C-N 3.29Å; A378-K380 PolarHBondContact O-N 3.48Å; K380-E383 VanDerWaalsContact CD-OE2 3.27Å; K380-E383 WeakPolarHBondContact CD-OE2 3.37Å; K380-E383 IonicContact NZ-OE1 3.49Å; K380-E383 PolarHBondContact NZ-OE1 3.41Å; K380-E383 IonicContact NZ-OE2 2.7Å; K380-E383 PolarHBondContact NZ-OE2 3.08Å; K380-E383 PolarHBondContact O-N 3.44Å; K380-Q384 VanDerWaalsContact O-CG 3.31Å; K380-Q384 WeakPolarHBondContact O-CG 3.39Å; K380-Q384 PolarHBondContact O-N 3.39Å
381V97.3Very high89.4Confident0 Ų040.7 Ų40.70%021%0.21CC..Hα-helixtrans-65.7-39.6174.8173.80000111.3N123 I125 L166 K263 A264 Y340 V377 A378 D379N123-V381 HydrophobicContact CB-CG1 3.67Å; I125-V381 HydrophobicContact CD1-CB 4.47Å; I125-V381 HydrophobicContact CD1-CG2 4.31Å; I125-V381 HydrophobicContact CG1-CG2 4.43Å; L166-V381 HydrophobicContact CD2-CB 4.17Å; L166-V381 HydrophobicContact CD2-CG1 3.57Å; K263-V381 HydrophobicContact CB-CG1 3.86Å; K263-V381 HydrophobicContact CB-CG2 4.31Å; K263-V381 HydrophobicContact CG-CG1 4.36Å; A264-V381 HydrophobicContact CB-CG2 3.85Å; Y340-V381 HydrophobicContact CD2-CG2 3.78Å; Y340-V381 HydrophobicContact CE2-CG2 4.25Å; V377-V381 WeakPolarHBondContact O-CG2 3.32Å; V377-V381 PolarHBondContact O-N 2.85Å; A378-V381 PolarHBondContact O-N 3.1Å; D379-V381 PolarHBondContact O-N 2.92Å
382I95.5Very high88.9Confident4 Ų442.9 Ų42.92%0.02122%0.221CC..Hα-helixtrans-67.1-43.3176.1-62.3169.6000110.4K161 Y162 N165 L166 A378 D379 Q384 Q385 R387 I388K161-I382 HydrophobicContact CG-CD1 4.35Å; Y162-I382 HydrophobicContact CD1-CD1 4.03Å; Y162-I382 HydrophobicContact CE1-CD1 4.36Å; N165-I382 HydrophobicContact CB-CD1 4.22Å; N165-I382 HydrophobicContact CB-CG1 4.14Å; N165-I382 HydrophobicContact CB-CG2 4.23Å; L166-I382 HydrophobicContact CD1-CD1 3.81Å; L166-I382 HydrophobicContact CD1-CG1 3.81Å; L166-I382 HydrophobicContact CD2-CG1 3.75Å; L166-I382 HydrophobicContact CG-CD1 3.98Å; L166-I382 HydrophobicContact CG-CG1 3.66Å; A378-I382 WeakPolarHBondContact O-CG1 3.34Å; A378-I382 PolarHBondContact O-N 2.96Å; D379-I382 PolarHBondContact O-N 3Å; I382-Q384 VanDerWaalsContact C-N 3.27Å; I382-Q384 PolarHBondContact O-N 3.29Å; I382-Q385 WeakPolarHBondContact O-CB 3.4Å; I382-Q385 PolarHBondContact O-N 3.17Å; I382-R387 HydrophobicContact CG2-CB 4.28Å; I382-I388 HydrophobicContact CB-CD1 4.11Å; I382-I388 HydrophobicContact CB-CG1 4.37Å; I382-I388 HydrophobicContact CG2-CD1 3.88Å; I382-I388 HydrophobicContact CG2-CG1 3.63Å
383E93.7Very high88.3Confident82 Ų8243.1 Ų43.138%0.38322%0.223SC..Hα-helixtrans-54.9-43.7178.4-170.7-163.912900111.5D379 K380 Q385 G386 I388D379-E383 WeakPolarHBondContact O-CB 3.23Å; D379-E383 PolarHBondContact O-N 3.01Å; K380-E383 VanDerWaalsContact CD-OE2 3.27Å; K380-E383 WeakPolarHBondContact CD-OE2 3.37Å; K380-E383 IonicContact NZ-OE1 3.49Å; K380-E383 PolarHBondContact NZ-OE1 3.41Å; K380-E383 IonicContact NZ-OE2 2.7Å; K380-E383 PolarHBondContact NZ-OE2 3.08Å; K380-E383 PolarHBondContact O-N 3.44Å; E383-Q385 PolarHBondContact O-N 3.13Å; E383-G386 PolarHBondContact O-N 2.63Å; E383-I388 HydrophobicContact CB-CD1 3.78Å; E383-I388 HydrophobicContact CG-CD1 4.47Å
384Q86.9Confident87.7Confident93 Ų9345.9 Ų45.944%0.43524%0.238SC..THydrogen-bonded Turntrans-68.9-14.3179.7-67.8-76.5-71.600114.3Y340 K380 I382Y340-Q384 HydrophobicContact CE2-CG 4.15Å; Y340-Q384 WeakPolarHBondContact OH-CG 3.42Å; K380-Q384 VanDerWaalsContact O-CG 3.31Å; K380-Q384 WeakPolarHBondContact O-CG 3.39Å; K380-Q384 PolarHBondContact O-N 3.39Å; I382-Q384 VanDerWaalsContact C-N 3.27Å; I382-Q384 PolarHBondContact O-N 3.29Å
385Q79.8Confident86.9Confident45 Ų4549.1 Ų49.121%0.2126%0.255CS..THydrogen-bonded Turntrans-78.3-7.9170.7-65.7179.9-42.200112.8N123 N165 I382 E383 R387N123-Q385 HydrophobicContact CB-CG 4.36Å; N123-Q385 WeakPolarHBondContact ND2-CG 3.18Å; N123-Q385 PolarHBondContact ND2-NE2 2.83Å; N165-Q385 PolarHBondContact O-OE1 2.88Å; I382-Q385 WeakPolarHBondContact O-CB 3.4Å; I382-Q385 PolarHBondContact O-N 3.17Å; E383-Q385 PolarHBondContact O-N 3.13Å; Q385-R387 VanDerWaalsContact C-N 3.31Å; Q385-R387 HydrophobicContact CB-CB 4.22Å; Q385-R387 HydrophobicContact CB-CG 3.89Å
386G69.9Low86.1Confident70 Ų7049.6 Ų49.672%0.72226%0.262SS*.THydrogen-bonded Turntrans70.426.3-169.200000113.1E383E383-G386 PolarHBondContact O-N 2.63Å
387R57.4Low85.1Confident122 Ų12252.6 Ų52.646%0.4628%0.277SS..  trans-108.324.4-174.3-69.8-172.2179.2175.41114.5N122 I382 Q385N122-R387 PolarHBondContact OD1-NH1 2.84Å; I382-R387 HydrophobicContact CG2-CB 4.28Å; Q385-R387 VanDerWaalsContact C-N 3.31Å; Q385-R387 HydrophobicContact CB-CB 4.22Å; Q385-R387 HydrophobicContact CB-CG 3.89Å
388I50.6Low83.9Confident164 Ų16457.4 Ų57.484%0.84130%0.302SS*.  trans-1270175.4-47.2-176.2000110.1I382 E383I382-I388 HydrophobicContact CB-CD1 4.11Å; I382-I388 HydrophobicContact CB-CG1 4.37Å; I382-I388 HydrophobicContact CG2-CD1 3.88Å; I382-I388 HydrophobicContact CG2-CG1 3.63Å; E383-I388 HydrophobicContact CB-CD1 3.78Å; E383-I388 HydrophobicContact CG-CD1 4.47Å

Retrieved 388 of 388 residues in 883.4 ms (Link to these results)

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