A0A096MSN9_PAPAN Loading...

Actin like 8

AlphaFold DB , UniProt , Accession A0A096MSN9, Species PAPAN (Papio anubis, Olive baboon), Gene ACTL8, Length 366 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
1M38.8Very low82.8Confident231 Ų23154 Ų54100%1.13831%0.311SS*.  0127.20-79.8-178.4-111.500106.6A3M1-A3 PolarHBondContact O-N 3.46Å
2A54.5Low83.6Confident101 Ų10150.6 Ų50.684%0.83529%0.293SS*.  trans-57.9133.4173.800000108.9R4A2-R4 PolarHBondContact O-N 2.89Å
3A65.2Low84.3Confident68 Ų6847.2 Ų47.256%0.56228%0.276SS*.  trans-57.4135.5177.700000109.3M1 T5 P97M1-A3 PolarHBondContact O-N 3.46Å; A3-T5 PolarHBondContact O-N 2.79Å; A3-P97 HydrophobicContact CB-CG 4.06Å
4R86.8Confident85Confident138 Ų13849.5 Ų49.552%0.52128%0.281SS..  trans-73.7110.2178.4-83.8-175.8173.8-167.81.2109.1A2 T19 P96A2-R4 PolarHBondContact O-N 2.89Å; R4-T19 HydrophobicContact CB-CG2 3.81Å; R4-T19 HydrophobicContact CG-CG2 4.02Å; R4-P96 WeakPolarHBondContact O-CB 3.32Å
5T93.6Very high85.7Confident20 Ų2046.3 Ų46.312%0.12326%0.262CS..  trans-71.1133.4175-63.80000111.3A3 T19 A20 P97 I99 A345 W354A3-T5 PolarHBondContact O-N 2.79Å; T5-T19 WeakPolarHBondContact O-CA 3.4Å; T5-T19 WeakPolarHBondContact O-CG2 3.49Å; T5-A20 HydrophobicContact CG2-CB 4.41Å; T5-A20 PolarHBondContact O-N 3.31Å; T5-P97 WeakPolarHBondContact CA-O 3.49Å; T5-I99 HydrophobicContact CG2-CD1 3.96Å; T5-I99 HydrophobicContact CG2-CG1 3.68Å; T5-A345 HydrophobicContact CG2-CB 4.35Å; T5-W354 HydrophobicContact CG2-CH2 3.6Å; T5-W354 HydrophobicContact CG2-CZ2 4.21Å
6V96.4Very high86.4Confident3 Ų345.4 Ų45.42%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-98.5138.5171.6172.70000109.7I8 V85 L86 H89 P96 P97 V98 I99V6-I8 HydrophobicContact CG1-CG1 4.23Å; V6-V85 HydrophobicContact CG1-CG1 4.04Å; V6-L86 HydrophobicContact CG1-CD2 4.49Å; V6-H89 HydrophobicContact CG2-CB 3.61Å; V6-P96 HydrophobicContact CB-CG 4.11Å; V6-P96 HydrophobicContact CG2-CB 3.92Å; V6-P96 HydrophobicContact CG2-CG 3.38Å; V6-P97 PolarHBondContact N-O 3.48Å; V6-V98 CarbonylContact O-C 3.4Å; V6-V98 VanDerWaalsContact O-CA 3.3Å; V6-V98 WeakPolarHBondContact O-CA 3.25Å; V6-I99 PolarHBondContact O-N 3.11Å
7I97.8Very high87.1Confident0 Ų042.8 Ų42.80%024%0.24CC..EExtended strand (participates in β ladder)trans-110.5132.5177.9-59.9156.4000108.2A17 G18 A20 I99 W338 A341I7-A17 WeakPolarHBondContact O-CA 3.18Å; I7-A17 WeakPolarHBondContact O-CB 3.48Å; I7-G18 PolarHBondContact N-O 3.12Å; I7-G18 PolarHBondContact O-N 2.9Å; I7-A20 HydrophobicContact CD1-CB 3.83Å; I7-A20 HydrophobicContact CG1-CB 4.4Å; I7-I99 CarbonylContact C-O 3.54Å; I7-I99 WeakPolarHBondContact CA-O 3.27Å; I7-I99 HydrophobicContact CG1-CB 4.19Å; I7-I99 HydrophobicContact CG1-CD1 4.27Å; I7-I99 HydrophobicContact CG1-CG1 4.5Å; I7-W338 HydrophobicContact CD1-CZ2 4.06Å; I7-W338 HydrophobicContact CG2-CG 4.2Å; I7-A341 HydrophobicContact CD1-CB 4.38Å; I7-A341 HydrophobicContact CG1-CB 4.39Å; I7-A341 HydrophobicContact CG2-CB 3.63Å
8I97.5Very high87.6Confident0 Ų040.4 Ų40.40%023%0.227CC..EExtended strand (participates in β ladder)trans-122.8105.5176.4-54.7-175.9000108.6V6 H10 L15 W82 V85 V98 I99 I100 T101V6-I8 HydrophobicContact CG1-CG1 4.23Å; I8-H10 HydrophobicContact CG2-CB 4.44Å; I8-L15 HydrophobicContact CG2-CD1 4.24Å; I8-L15 HydrophobicContact CG2-CD2 4.3Å; I8-L15 HydrophobicContact CG2-CG 4.34Å; I8-W82 HydrophobicContact CD1-CB 4.47Å; I8-W82 HydrophobicContact CD1-CG 4.45Å; I8-V85 HydrophobicContact CD1-CB 4.35Å; I8-V85 HydrophobicContact CD1-CG1 4.03Å; I8-V85 HydrophobicContact CG1-CG1 4.01Å; I8-V98 HydrophobicContact CD1-CG1 3.97Å; I8-V98 HydrophobicContact CG1-CG1 4.13Å; I8-I99 PolarHBondContact N-O 3.38Å; I8-I100 HydrophobicContact CB-CG1 4.38Å; I8-I100 WeakPolarHBondContact O-CA 3.36Å; I8-T101 PolarHBondContact O-N 3.41Å
9D96.5Very high88Confident5 Ų538.8 Ų38.83%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-94.598.2167.6173.120.5000109.9G11 L15 K16 T101 Q132 V337 W338D9-G11 PolarHBondContact O-N 2.78Å; D9-L15 WeakPolarHBondContact O-CA 3.4Å; D9-K16 HydrophobicContact CB-CB 4.33Å; D9-K16 HydrophobicContact CB-CD 4.46Å; D9-K16 PolarHBondContact N-O 3.19Å; D9-K16 PolarHBondContact O-N 3.02Å; D9-K16 WeakPolarHBondContact OD2-CD 3.4Å; D9-K16 IonicContact OD2-NZ 3.49Å; D9-T101 VanDerWaalsContact CA-OG1 3.31Å; D9-T101 WeakPolarHBondContact CA-OG1 3.25Å; D9-T101 HydrophobicContact CB-CG2 4.18Å; D9-T101 PolarHBondContact OD1-OG1 3.19Å; D9-T101 VanDerWaalsContact OD1-OG1 3.12Å; D9-Q132 PolarHBondContact OD1-NE2 3.37Å; D9-V337 HydrophobicContact CB-CG1 4.27Å; D9-W338 HydrophobicContact CB-CB 4.36Å
10H92.1Very high88.2Confident16 Ų1637.6 Ų37.67%0.07421%0.213CC..EExtended strand (participates in β ladder)trans-9273.4-175.568.8172.9000113I8 I67 W82 T101I8-H10 HydrophobicContact CG2-CB 4.44Å; H10-I67 HydrophobicContact CB-CD1 3.82Å; H10-I67 WeakPolarHBondContact O-CD1 3.48Å; H10-W82 AromaticContact CE1-CZ2 3.95Å; H10-W82 AromaticContact ND1-CE2 3.95Å; H10-W82 AromaticContact ND1-CZ2 3.52Å; H10-W82 AromaticContact ND1-NE1 3.76Å; H10-T101 PolarHBondContact CD2-O 3.34Å; H10-T101 PolarHBondContact NE2-O 2.84Å
11G92.1Very high88.3Confident12 Ų1238.3 Ų38.312%0.12423%0.229CC..  trans-74.7157.7175.800000113.6D9 G13 F14 N31D9-G11 PolarHBondContact O-N 2.78Å; G11-G13 VanDerWaalsContact C-N 3.3Å; G11-G13 PolarHBondContact O-N 3.02Å; G11-F14 WeakPolarHBondContact CA-O 3.31Å; G11-F14 PolarHBondContact N-O 2.94Å; G11-N31 WeakPolarHBondContact O-CB 3.49Å
12S92.4Very high90.8Very high13 Ų1334.4 Ų34.49%0.09120%0.202CC..SBendtrans-59.8-35.1179.3-54.70000114.6N31 I67 R69 G70S12-N31 WeakPolarHBondContact O-CB 3.3Å; S12-N31 PolarHBondContact O-ND2 2.91Å; S12-I67 VanDerWaalsContact CA-O 3.3Å; S12-I67 WeakPolarHBondContact CA-O 3.46Å; S12-I67 WeakPolarHBondContact CB-O 3.46Å; S12-R69 PolarHBondContact OG-N 3.26Å; S12-G70 PolarHBondContact OG-N 3.11Å
13G92.2Very high92.5Very high7 Ų735.2 Ų35.27%0.07219%0.192CC..SBendtrans-94.4-39.5179.300000113.9G11 P30 N31G11-G13 VanDerWaalsContact C-N 3.3Å; G11-G13 PolarHBondContact O-N 3.02Å; G13-P30 WeakPolarHBondContact O-CA 3.31Å; G13-N31 PolarHBondContact O-N 2.98Å
14F94Very high93.7Very high79 Ų7936.8 Ų36.835%0.34619%0.188SC..EExtended strand (participates in β ladder)trans-142.4134.6-174.2-66.1-90.3000110.4G11 K16 V28 F29 P30G11-F14 WeakPolarHBondContact CA-O 3.31Å; G11-F14 PolarHBondContact N-O 2.94Å; F14-K16 PolarHBondContact O-NZ 3.43Å; F14-V28 HydrophobicContact CD1-CG1 4.37Å; F14-F29 WeakPolarHBondContact CA-O 3.36Å; F14-P30 HydrophobicContact CD1-CG 4.43Å; F14-P30 HydrophobicContact CE1-CG 4.08Å
15L95.8Very high94.2Very high1 Ų131 Ų311%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-88.9133.5166.2-168.8157000108.8I8 D9 A17 V28 F29 L81 V85I8-L15 HydrophobicContact CG2-CD1 4.24Å; I8-L15 HydrophobicContact CG2-CD2 4.3Å; I8-L15 HydrophobicContact CG2-CG 4.34Å; D9-L15 WeakPolarHBondContact O-CA 3.4Å; L15-A17 HydrophobicContact CD2-CB 3.79Å; L15-V28 WeakPolarHBondContact O-CA 3.1Å; L15-F29 HydrophobicContact CB-CD2 4.16Å; L15-F29 HydrophobicContact CB-CE2 3.67Å; L15-F29 HydrophobicContact CB-CZ 4.03Å; L15-F29 HydrophobicContact CD1-CE2 4.02Å; L15-F29 HydrophobicContact CD1-CZ 3.96Å; L15-F29 HydrophobicContact CD2-CE1 3.98Å; L15-F29 HydrophobicContact CD2-CE2 4.16Å; L15-F29 HydrophobicContact CD2-CZ 3.59Å; L15-F29 HydrophobicContact CG-CE2 4.16Å; L15-F29 HydrophobicContact CG-CZ 4.07Å; L15-F29 PolarHBondContact N-O 3.06Å; L15-F29 PolarHBondContact O-N 3.36Å; L15-F29 VanDerWaalsContact O-N 3.1Å; L15-L81 HydrophobicContact CD1-CB 3.95Å; L15-L81 HydrophobicContact CD1-CD1 4.37Å; L15-V85 HydrophobicContact CD1-CG2 4.48Å; L15-V85 HydrophobicContact CD2-CG2 3.72Å
16K97.1Very high94.2Very high33 Ų3334.7 Ų34.714%0.14318%0.184CC..EExtended strand (participates in β ladder)trans-119.9129.5172.3-54.291.3179.91740109D9 F14 P25 M27 V28 F335D9-K16 HydrophobicContact CB-CB 4.33Å; D9-K16 HydrophobicContact CB-CD 4.46Å; D9-K16 PolarHBondContact N-O 3.19Å; D9-K16 PolarHBondContact O-N 3.02Å; D9-K16 WeakPolarHBondContact OD2-CD 3.4Å; D9-K16 IonicContact OD2-NZ 3.49Å; F14-K16 PolarHBondContact O-NZ 3.43Å; K16-P25 HydrophobicContact CB-CB 3.88Å; K16-P25 HydrophobicContact CB-CG 3.99Å; K16-P25 HydrophobicContact CG-CG 4.35Å; K16-M27 CarbonylContact C-O 3.53Å; K16-M27 WeakPolarHBondContact CA-O 3.46Å; K16-V28 HydrophobicContact CB-CG2 4.34Å; K16-V28 HydrophobicContact CG-CG1 4.14Å; K16-V28 HydrophobicContact CG-CG2 3.96Å; K16-F335 HydrophobicContact CG-CD1 4.11Å; K16-F335 HydrophobicContact CG-CE1 4.11Å
17A97.4Very high94.2Very high0 Ų036.1 Ų36.10%019%0.191CC..EExtended strand (participates in β ladder)trans-141.2155.7-17900000112.5I7 L15 P25 Q26 M27 V85I7-A17 WeakPolarHBondContact O-CA 3.18Å; I7-A17 WeakPolarHBondContact O-CB 3.48Å; L15-A17 HydrophobicContact CD2-CB 3.79Å; A17-P25 CarbonylContact O-C 3.59Å; A17-P25 WeakPolarHBondContact O-CB 3.1Å; A17-Q26 PolarHBondContact O-N 2.86Å; A17-M27 HydrophobicContact CB-CB 4.41Å; A17-M27 PolarHBondContact N-O 3.4Å; A17-M27 PolarHBondContact O-N 3.04Å; A17-V85 HydrophobicContact CB-CB 4.35Å; A17-V85 HydrophobicContact CB-CG1 3.45Å; A17-V85 VanDerWaalsContact CB-CG1 3.45Å; A17-V85 HydrophobicContact CB-CG2 3.88Å
18G96.1Very high94.1Very high0 Ų039.5 Ų39.50%021%0.211CC..EExtended strand (participates in β ladder)trans173.1175.9177.900000111.6I7I7-G18 PolarHBondContact N-O 3.12Å; I7-G18 PolarHBondContact O-N 2.9Å
19T94.9Very high93.9Very high11 Ų1140.4 Ų40.47%0.06722%0.215CC..EExtended strand (participates in β ladder)trans-78.6141.3175.4-44.10000109.9R4 T5 Q26R4-T19 HydrophobicContact CB-CG2 3.81Å; R4-T19 HydrophobicContact CG-CG2 4.02Å; T5-T19 WeakPolarHBondContact O-CA 3.4Å; T5-T19 WeakPolarHBondContact O-CG2 3.49Å; T19-Q26 PolarHBondContact OG1-OE1 3.06Å
20A93.8Very high93.7Very high13 Ų1343 Ų4311%0.10723%0.232CC..THydrogen-bonded Turntrans-58.4149170.500000111.8T5 I7 A345T5-A20 HydrophobicContact CG2-CB 4.41Å; T5-A20 PolarHBondContact O-N 3.31Å; I7-A20 HydrophobicContact CD1-CB 3.83Å; I7-A20 HydrophobicContact CG1-CB 4.4Å; A20-A345 HydrophobicContact CB-CB 3.46Å; A20-A345 VanDerWaalsContact CB-CB 3.46Å
21G90.2Very high93.7Very high54 Ų5442.2 Ų42.256%0.55723%0.229SC*.THydrogen-bonded Turntrans96.4-7.3-179.900000114.5S342G21-S342 PolarHBondContact N-OG 3.03Å
22W91.1Very high93.7Very high148 Ų14842.5 Ų42.556%0.56123%0.227SC*.  trans-90159.4167.7-63.884.7000111.1W338 S342W22-W338 HydrophobicContact CB-CH2 3.92Å; W22-W338 WeakPolarHBondContact O-CH2 3.5Å; W22-W338 VanDerWaalsContact O-CZ3 3.24Å; W22-W338 WeakPolarHBondContact O-CZ3 3.48Å; W22-S342 PolarHBondContact O-OG 3.14Å
23N88.6Confident93.6Very high119 Ų11941.9 Ų41.964%0.63622%0.223SC*.SBendtrans-90.2-10177.3-68.6-23.1000113.3
24E92.1Very high93.5Very high101 Ų10141.5 Ų41.547%0.47222%0.219SC..SBendtrans-143.9148.1-179.2-67.2-179.2-177.100110.1N332 F335 W338E24-N332 PolarHBondContact OE1-ND2 3.34Å; E24-F335 HydrophobicContact CG-CD2 4.46Å; E24-W338 WeakPolarHBondContact O-CH2 3.41Å; E24-W338 WeakPolarHBondContact O-CZ3 3.43Å
25P95.7Very high93Very high17 Ų1739 Ų3911%0.1121%0.208CC..  trans-64.9142.9175.228.5-35.3000111K16 A17 V28 F335 W338K16-P25 HydrophobicContact CB-CB 3.88Å; K16-P25 HydrophobicContact CB-CG 3.99Å; K16-P25 HydrophobicContact CG-CG 4.35Å; A17-P25 CarbonylContact O-C 3.59Å; A17-P25 WeakPolarHBondContact O-CB 3.1Å; P25-V28 HydrophobicContact CB-CG2 4.12Å; P25-V28 HydrophobicContact CG-CG2 3.54Å; P25-F335 HydrophobicContact CG-CD1 3.84Å; P25-F335 HydrophobicContact CG-CD2 4.22Å; P25-F335 HydrophobicContact CG-CE1 3.9Å; P25-F335 HydrophobicContact CG-CE2 4.27Å; P25-F335 HydrophobicContact CG-CG 4Å; P25-F335 HydrophobicContact CG-CZ 4.11Å; P25-W338 HydrophobicContact CB-CD2 3.95Å; P25-W338 HydrophobicContact CB-CE3 4.48Å; P25-W338 HydrophobicContact CB-CG 4.15Å
26Q94.9Very high92Very high97 Ų9741 Ų4145%0.45322%0.218SC..SBendtrans-81.8-21.4178.4-62171.2-91.500112.1A17 T19A17-Q26 PolarHBondContact O-N 2.86Å; T19-Q26 PolarHBondContact OG1-OE1 3.06Å
27M95.5Very high90.4Very high33 Ų3343.8 Ų43.816%0.16324%0.239CC..EExtended strand (participates in β ladder)trans-130.3127.5178.4-60.2178.578.900109.2K16 A17 F29 F84 N88 H89K16-M27 CarbonylContact C-O 3.53Å; K16-M27 WeakPolarHBondContact CA-O 3.46Å; A17-M27 HydrophobicContact CB-CB 4.41Å; A17-M27 PolarHBondContact N-O 3.4Å; A17-M27 PolarHBondContact O-N 3.04Å; M27-F29 HydrophobicContact CB-CD1 4.35Å; M27-F29 HydrophobicContact CB-CE1 4.31Å; M27-F29 HydrophobicContact CE-CD1 4.47Å; M27-F29 HydrophobicContact CE-CE1 4.04Å; M27-F84 HydrophobicContact CE-CD1 3.96Å; M27-F84 HydrophobicContact CE-CE1 3.33Å; M27-F84 HydrophobicContact CE-CZ 4.04Å; M27-N88 HydrophobicContact CE-CB 4.12Å; M27-N88 HydrophobicContact SD-CB 3.95Å; M27-H89 PolarHBondContact SD-CE1 3.29Å
28V95.3Very high88.7Confident71 Ų7146.5 Ų46.543%0.4326%0.258SS..EExtended strand (participates in β ladder)trans-134.9119170.2-178.80000107.6F14 L15 K16 P25 F335F14-V28 HydrophobicContact CD1-CG1 4.37Å; L15-V28 WeakPolarHBondContact O-CA 3.1Å; K16-V28 HydrophobicContact CB-CG2 4.34Å; K16-V28 HydrophobicContact CG-CG1 4.14Å; K16-V28 HydrophobicContact CG-CG2 3.96Å; P25-V28 HydrophobicContact CB-CG2 4.12Å; P25-V28 HydrophobicContact CG-CG2 3.54Å; V28-F335 HydrophobicContact CG2-CE1 3.95Å; V28-F335 HydrophobicContact CG2-CZ 4.09Å
29F93.9Very high86.9Confident18 Ų1856.5 Ų56.58%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-145.6154.8179.554.3-100.9000111.8F14 L15 M27 L53 L81 F84 V85F14-F29 WeakPolarHBondContact CA-O 3.36Å; L15-F29 HydrophobicContact CB-CD2 4.16Å; L15-F29 HydrophobicContact CB-CE2 3.67Å; L15-F29 HydrophobicContact CB-CZ 4.03Å; L15-F29 HydrophobicContact CD1-CE2 4.02Å; L15-F29 HydrophobicContact CD1-CZ 3.96Å; L15-F29 HydrophobicContact CD2-CE1 3.98Å; L15-F29 HydrophobicContact CD2-CE2 4.16Å; L15-F29 HydrophobicContact CD2-CZ 3.59Å; L15-F29 HydrophobicContact CG-CE2 4.16Å; L15-F29 HydrophobicContact CG-CZ 4.07Å; L15-F29 PolarHBondContact N-O 3.06Å; L15-F29 PolarHBondContact O-N 3.36Å; L15-F29 VanDerWaalsContact O-N 3.1Å; M27-F29 HydrophobicContact CB-CD1 4.35Å; M27-F29 HydrophobicContact CB-CE1 4.31Å; M27-F29 HydrophobicContact CE-CD1 4.47Å; M27-F29 HydrophobicContact CE-CE1 4.04Å; F29-L53 HydrophobicContact CB-CD2 4.34Å; F29-L53 HydrophobicContact CD2-CD1 3.57Å; F29-L53 HydrophobicContact CD2-CD2 4.1Å; F29-L53 HydrophobicContact CD2-CG 4.4Å; F29-L53 HydrophobicContact CE2-CD1 3.67Å; F29-L53 HydrophobicContact CG-CD1 4.37Å; F29-L53 HydrophobicContact CG-CD2 4.07Å; F29-L53 HydrophobicContact CZ-CD1 4.5Å; F29-L81 HydrophobicContact CE2-CD2 3.92Å; F29-F84 HydrophobicContact CD1-CE1 4.46Å; F29-F84 HydrophobicContact CE1-CD1 4.07Å; F29-F84 HydrophobicContact CE1-CE1 4.02Å; F29-F84 HydrophobicContact CZ-CD1 4.06Å; F29-F84 HydrophobicContact CZ-CE1 4.4Å; F29-V85 HydrophobicContact CE1-CG2 4.08Å; F29-V85 HydrophobicContact CZ-CG2 3.87Å
30P92.4Very high84.9Confident59 Ų5963.7 Ų63.738%0.38333%0.334SS..EExtended strand (participates in β ladder)trans-58.1138.9177.2-23.233.8000111.6G13 F14 I32G13-P30 WeakPolarHBondContact O-CA 3.31Å; F14-P30 HydrophobicContact CD1-CG 4.43Å; F14-P30 HydrophobicContact CE1-CG 4.08Å; P30-I32 HydrophobicContact CB-CD1 3.85Å; P30-I32 HydrophobicContact CB-CG1 3.88Å; P30-I32 PolarHBondContact O-N 3.07Å
31N92.4Very high82.9Confident0 Ų068 Ų680%036%0.355CS..SBendtrans-77.366.3175.6-177.953.4000110.4G11 S12 G13 P66 I67 L81G11-N31 WeakPolarHBondContact O-CB 3.49Å; S12-N31 WeakPolarHBondContact O-CB 3.3Å; S12-N31 PolarHBondContact O-ND2 2.91Å; G13-N31 PolarHBondContact O-N 2.98Å; N31-P66 VanDerWaalsContact O-CD 3.25Å; N31-P66 WeakPolarHBondContact O-CD 3.13Å; N31-I67 WeakPolarHBondContact ND2-CB 3.17Å; N31-I67 PolarHBondContact ND2-N 2.56Å; N31-I67 PolarHBondContact ND2-O 3.24Å; N31-L81 WeakPolarHBondContact OD1-CD1 3.4Å
32I91.9Very high81Confident18 Ų1871.7 Ų71.79%0.09237%0.37CS..  trans-133.9133.8-176-51.7179000108.1P30 G54 I55 F63 Y65P30-I32 HydrophobicContact CB-CD1 3.85Å; P30-I32 HydrophobicContact CB-CG1 3.88Å; P30-I32 PolarHBondContact O-N 3.07Å; I32-G54 PolarHBondContact O-N 2.94Å; I32-I55 HydrophobicContact CD1-CD1 4.21Å; I32-I55 HydrophobicContact CD1-CG1 4.38Å; I32-I55 HydrophobicContact CG2-CD1 4.49Å; I32-I55 HydrophobicContact CG2-CG1 3.74Å; I32-F63 HydrophobicContact CG2-CB 3.95Å; I32-F63 HydrophobicContact CG2-CD2 3.79Å; I32-F63 HydrophobicContact CG2-CG 4.19Å; I32-Y65 HydrophobicContact CD1-CD1 4.37Å; I32-Y65 HydrophobicContact CD1-CE1 3.58Å; I32-Y65 HydrophobicContact CG1-CD1 3.78Å; I32-Y65 HydrophobicContact CG1-CE1 3.5Å; I32-Y65 VanDerWaalsContact CG1-CE1 3.5Å
33V90.9Very high79.2Confident0 Ų066.5 Ų66.50%036%0.362CS..EExtended strand (participates in β ladder)trans-125.4146.8173.4-62.30000109.8Y35 V51 S52 G54 F63 S64 P66 Y80 L81V33-Y35 HydrophobicContact CG2-CE2 3.63Å; V33-Y35 WeakPolarHBondContact CG2-OH 3.46Å; V33-V51 HydrophobicContact CB-CG1 3.88Å; V33-V51 HydrophobicContact CG1-CG1 4.29Å; V33-V51 HydrophobicContact CG2-CG1 4.44Å; V33-S52 CarbonylContact C-O 3.48Å; V33-S52 WeakPolarHBondContact CA-O 3.35Å; V33-G54 CarbonylContact C-O 3.56Å; V33-F63 CarbonylContact O-C 3.55Å; V33-F63 WeakPolarHBondContact O-CA 3.37Å; V33-F63 WeakPolarHBondContact O-CB 3.43Å; V33-S64 PolarHBondContact N-O 3.36Å; V33-S64 VanDerWaalsContact N-O 3.1Å; V33-S64 PolarHBondContact O-N 3.39Å; V33-P66 HydrophobicContact CB-CG 4.38Å; V33-P66 HydrophobicContact CG1-CG 3.92Å; V33-P66 HydrophobicContact CG2-CG 3.64Å; V33-Y80 HydrophobicContact CG1-CD1 4.36Å; V33-L81 HydrophobicContact CG1-CD1 4.21Å; V33-L81 HydrophobicContact CG1-CD2 3.58Å; V33-L81 HydrophobicContact CG1-CG 3.74Å
34N89.3Confident77.2Confident0 Ų067.7 Ų67.70%038%0.376CS..EExtended strand (participates in β ladder)trans-111.7142.5177.1-178.466000111.2L36 V51 S52 G54 D56 T62N34-L36 WeakPolarHBondContact ND2-CD2 3.5Å; N34-V51 CarbonylContact O-C 3.59Å; N34-V51 VanDerWaalsContact O-CA 3.32Å; N34-V51 WeakPolarHBondContact O-CA 3.38Å; N34-S52 PolarHBondContact N-O 3.22Å; N34-S52 PolarHBondContact O-N 2.81Å; N34-G54 VanDerWaalsContact CB-O 3.31Å; N34-G54 WeakPolarHBondContact CB-O 3.49Å; N34-G54 PolarHBondContact N-O 3.41Å; N34-D56 WeakPolarHBondContact ND2-CB 3.46Å; N34-T62 VanDerWaalsContact OD1-C 3.24Å; N34-T62 WeakPolarHBondContact OD1-CB 3.48Å; N34-T62 PolarHBondContact OD1-O 2.78Å; N34-T62 PolarHBondContact OD1-OG1 3.01Å
35Y82.8Confident75.4Confident27 Ų2767.2 Ų67.211%0.10638%0.384CS..EExtended strand (participates in β ladder)trans-112.5101.4-177.9-67.7-81.9000111.2V33 P37 R49 V51 T62 S64 N74 E76 G77V33-Y35 HydrophobicContact CG2-CE2 3.63Å; V33-Y35 WeakPolarHBondContact CG2-OH 3.46Å; Y35-P37 WeakPolarHBondContact O-CD 3.42Å; Y35-R49 HydrophobicContact CD1-CB 4.36Å; Y35-V51 HydrophobicContact CD1-CG2 3.94Å; Y35-V51 HydrophobicContact CE1-CG1 4.3Å; Y35-V51 HydrophobicContact CE1-CG2 3.61Å; Y35-T62 WeakPolarHBondContact CB-O 3.39Å; Y35-T62 WeakPolarHBondContact CD2-O 3.4Å; Y35-T62 PolarHBondContact N-O 3.02Å; Y35-T62 WeakPolarHBondContact O-CB 3.44Å; Y35-T62 PolarHBondContact O-OG1 3.49Å; Y35-S64 WeakPolarHBondContact CE2-OG 3.35Å; Y35-N74 VanDerWaalsContact OH-CG 3.27Å; Y35-N74 PolarHBondContact OH-ND2 3.35Å; Y35-N74 PolarHBondContact OH-OD1 3.42Å; Y35-E76 WeakPolarHBondContact CE1-OE2 3.48Å; Y35-G77 WeakPolarHBondContact OH-CA 3.34Å; Y35-G77 PolarHBondContact OH-N 2.85Å
36L74.8Confident73.3Confident43 Ų4377.3 Ų77.323%0.22542%0.422CS..EExtended strand (participates in β ladder)trans-77.3125.7176-64.5170.5000110.1N34 C38 R50 D56N34-L36 WeakPolarHBondContact ND2-CD2 3.5Å; L36-C38 PolarHBondContact O-N 2.77Å; L36-R50 HydrophobicContact CB-CB 4.14Å; L36-R50 PolarHBondContact N-O 3.22Å; L36-R50 PolarHBondContact O-N 3.32Å; L36-D56 WeakPolarHBondContact CD2-OD2 3.42Å
37P63.5Low71.2Confident90 Ų9075.1 Ų75.158%0.58442%0.42SS*.PPolyproline II helixtrans-60.5128.1170.8-18.430.2000110.1Y35 K39Y35-P37 WeakPolarHBondContact O-CD 3.42Å; P37-K39 PolarHBondContact O-N 3.34Å
38C62.2Low69.3Low57 Ų5784.2 Ų84.239%0.38545%0.452SS..PPolyproline II helixtrans-75.9122.7170.9-100.70000109.6L36 R48L36-C38 PolarHBondContact O-N 2.77Å; C38-R48 PolarHBondContact SG-O 2.97Å
39K57.8Low68Low210 Ų21088.6 Ų88.691%0.91346%0.461SS*.SBendtrans-76.6-18.8179.4-73.1-174.8176.8-179.20113.8P37P37-K39 PolarHBondContact O-N 3.34Å
40E54.5Low67.3Low163 Ų16396.1 Ų96.176%0.76249%0.489SS*.  trans-126.6119-175.1-68.2-178.7173.900111.2
41N51.3Low67Low102 Ų10294.4 Ų94.455%0.54548%0.478SS..  trans-123.194.9163.1-88.5-9.9000108.6A47N41-A47 WeakPolarHBondContact ND2-CB 3.14Å; N41-A47 WeakPolarHBondContact OD1-CA 3.43Å
42P50Low66.7Low133 Ų13396 Ų9686%0.86449%0.489SS*.  trans-93.117.817732.2-27.5000113.9
43G53.4Low66.5Low39 Ų3997.9 Ų97.940%0.40250%0.499SS..SBendtrans-156.1174.6-175.300000116S45G43-S45 PolarHBondContact O-N 3.21Å
44P47.5Very low66.3Low143 Ų14398.9 Ų98.993%0.92951%0.509SS*.SBendtrans-77.15.1-172.131.6-35000114.8
45S53.9Low66.1Low91 Ų91100.9 Ų100.964%0.63652%0.519SS*.SBendtrans-88.2140.2178.818.80000111.4G43 A47G43-S45 PolarHBondContact O-N 3.21Å; S45-A47 PolarHBondContact O-N 3.33Å
46Y50.1Low65.9Low230 Ų230101.4 Ų101.490%0.90252%0.523SS*.  trans-48130.8175.3-68.3-87.4000111.2R48Y46-R48 PolarHBondContact O-N 2.9Å
47A52.6Low66Low50 Ų50105.9 Ų105.941%0.41355%0.546SS..  trans-52108.7176.800000110.1N41 S45 R49N41-A47 WeakPolarHBondContact ND2-CB 3.14Å; N41-A47 WeakPolarHBondContact OD1-CA 3.43Å; S45-A47 PolarHBondContact O-N 3.33Å; A47-R49 PolarHBondContact O-N 2.9Å; A47-R49 VanDerWaalsContact O-N 3.14Å
48R55.2Low66.5Low224 Ų224106.4 Ų106.485%0.84555%0.551SS**  trans-71.9109171.2-92.6-176.6172.6178.2-2.4107.6C38 Y46C38-R48 PolarHBondContact SG-O 2.97Å; Y46-R48 PolarHBondContact O-N 2.9Å
49R68.4Low67Low163 Ų163108.1 Ų108.162%0.61555%0.553SS**PPolyproline II helixtrans-65.1137.8168-64.7178.1-177.9177.5-0.2107.7Y35 A47Y35-R49 HydrophobicContact CD1-CB 4.36Å; A47-R49 PolarHBondContact O-N 2.9Å; A47-R49 VanDerWaalsContact O-N 3.14Å
50R78.5Confident67.5Low176 Ų176100.2 Ų100.266%0.66452%0.523SS*.EExtended strand (participates in β ladder)trans-85125.3174.2-73.4178.666.4-177.90.3108.1L36L36-R50 HydrophobicContact CB-CB 4.14Å; L36-R50 PolarHBondContact N-O 3.22Å; L36-R50 PolarHBondContact O-N 3.32Å
51V85.3Confident68.3Low24 Ų2497.4 Ų97.415%0.14551%0.513CS..EExtended strand (participates in β ladder)trans-97.1137.9177-169.50000109V33 N34 Y35 E76 Y80V33-V51 HydrophobicContact CB-CG1 3.88Å; V33-V51 HydrophobicContact CG1-CG1 4.29Å; V33-V51 HydrophobicContact CG2-CG1 4.44Å; N34-V51 CarbonylContact O-C 3.59Å; N34-V51 VanDerWaalsContact O-CA 3.32Å; N34-V51 WeakPolarHBondContact O-CA 3.38Å; Y35-V51 HydrophobicContact CD1-CG2 3.94Å; Y35-V51 HydrophobicContact CE1-CG1 4.3Å; Y35-V51 HydrophobicContact CE1-CG2 3.61Å; V51-E76 HydrophobicContact CG2-CG 4.12Å; V51-Y80 HydrophobicContact CB-CD1 4.45Å; V51-Y80 HydrophobicContact CB-CD2 3.82Å; V51-Y80 HydrophobicContact CB-CE2 4.32Å; V51-Y80 HydrophobicContact CB-CG 3.89Å; V51-Y80 HydrophobicContact CG1-CD1 3.8Å; V51-Y80 HydrophobicContact CG1-CD2 4.06Å; V51-Y80 HydrophobicContact CG1-CE1 4.44Å; V51-Y80 HydrophobicContact CG1-CG 3.6Å; V51-Y80 WeakPolarHBondContact O-CE2 3.45Å
52S86.8Confident69.8Low34 Ų3494.3 Ų94.324%0.23850%0.498CS..EExtended strand (participates in β ladder)trans-133.7161.2172.765.30000111.2V33 N34V33-S52 CarbonylContact C-O 3.48Å; V33-S52 WeakPolarHBondContact CA-O 3.35Å; N34-S52 PolarHBondContact N-O 3.22Å; N34-S52 PolarHBondContact O-N 2.81Å
53L88.8Confident71.5Confident57 Ų5789.7 Ų89.730%0.29847%0.465SS..EExtended strand (participates in β ladder)trans-76.5142177.7-174.368.9000110.8F29 Y80 L81 F84F29-L53 HydrophobicContact CB-CD2 4.34Å; F29-L53 HydrophobicContact CD2-CD1 3.57Å; F29-L53 HydrophobicContact CD2-CD2 4.1Å; F29-L53 HydrophobicContact CD2-CG 4.4Å; F29-L53 HydrophobicContact CE2-CD1 3.67Å; F29-L53 HydrophobicContact CG-CD1 4.37Å; F29-L53 HydrophobicContact CG-CD2 4.07Å; F29-L53 HydrophobicContact CZ-CD1 4.5Å; L53-Y80 HydrophobicContact CB-CE1 4.41Å; L53-L81 HydrophobicContact CD1-CD2 3.34Å; L53-F84 HydrophobicContact CD2-CD1 4.41Å; L53-F84 HydrophobicContact CD2-CE1 3.87Å; L53-F84 HydrophobicContact CD2-CZ 4.12Å
54G86.7Confident73.1Confident20 Ų2089.3 Ų89.321%0.20646%0.456CS..SBendtrans80.9-156.3172.600000113.6I32 V33 N34I32-G54 PolarHBondContact O-N 2.94Å; V33-G54 CarbonylContact C-O 3.56Å; N34-G54 VanDerWaalsContact CB-O 3.31Å; N34-G54 WeakPolarHBondContact CB-O 3.49Å; N34-G54 PolarHBondContact N-O 3.41Å
55I83.8Confident75.1Confident42 Ų4285.3 Ų85.322%0.21542%0.423CS..  trans-109.4132178.5-54.1172000108.2I32 F63 L198I32-I55 HydrophobicContact CD1-CD1 4.21Å; I32-I55 HydrophobicContact CD1-CG1 4.38Å; I32-I55 HydrophobicContact CG2-CD1 4.49Å; I32-I55 HydrophobicContact CG2-CG1 3.74Å; I55-F63 HydrophobicContact CB-CD1 4.42Å; I55-F63 HydrophobicContact CD1-CD1 4.21Å; I55-F63 HydrophobicContact CD1-CD2 4.31Å; I55-F63 HydrophobicContact CD1-CE1 4.16Å; I55-F63 HydrophobicContact CD1-CE2 4.25Å; I55-F63 HydrophobicContact CD1-CG 4.29Å; I55-F63 HydrophobicContact CD1-CZ 4.18Å; I55-F63 HydrophobicContact CG1-CB 4.15Å; I55-F63 HydrophobicContact CG1-CD1 4Å; I55-F63 HydrophobicContact CG1-CD2 4.18Å; I55-F63 HydrophobicContact CG1-CE1 4.46Å; I55-F63 HydrophobicContact CG1-CG 3.85Å; I55-F63 HydrophobicContact CG2-CB 4.48Å; I55-F63 HydrophobicContact CG2-CD1 3.67Å; I55-F63 HydrophobicContact CG2-CE1 4.2Å; I55-F63 HydrophobicContact CG2-CG 4.26Å; I55-L198 HydrophobicContact CB-CD2 3.93Å; I55-L198 HydrophobicContact CD1-CD2 3.41Å; I55-L198 VanDerWaalsContact CD1-CD2 3.41Å; I55-L198 HydrophobicContact CG1-CD2 4.24Å; I55-L198 HydrophobicContact CG2-CD1 4.29Å; I55-L198 HydrophobicContact CG2-CD2 3.71Å; I55-L198 HydrophobicContact CG2-CG 4.38Å
56D80Confident76.9Confident38 Ų3881 Ų8120%0.20339%0.392CS..  trans-80.9117.4171.6179.93.6000109.5N34 L36 C58 H59 P60N34-D56 WeakPolarHBondContact ND2-CB 3.46Å; L36-D56 WeakPolarHBondContact CD2-OD2 3.42Å; D56-C58 PolarHBondContact O-N 3.41Å; D56-C58 WeakPolarHBondContact OD1-CB 3.3Å; D56-C58 PolarHBondContact OD1-N 3.49Å; D56-H59 HydrophobicContact CB-CB 4.42Å; D56-H59 CarbonylContact O-C 3.54Å; D56-H59 PolarHBondContact O-N 3Å; D56-H59 VanDerWaalsContact O-N 3.09Å; D56-H59 IonicContact OD2-CE1 2.9Å; D56-H59 IonicContact OD2-CG 3.87Å; D56-H59 IonicContact OD2-ND1 3.66Å; D56-H59 PolarHBondContact OD2-ND1 2.88Å; D56-P60 WeakPolarHBondContact O-CA 3.49Å; D56-P60 VanDerWaalsContact O-N 3.11Å
57I75.8Confident78.9Confident137 Ų13770.2 Ų70.270%0.70335%0.35SS*.THydrogen-bonded Turntrans-62.6-30.8179.4-57.7168.3000110.9L198I57-L198 HydrophobicContact CB-CD1 4.39Å; I57-L198 HydrophobicContact CG1-CD1 3.98Å; I57-L198 HydrophobicContact CG2-CD1 4.47Å
58C74.9Confident80.7Confident102 Ų10271.1 Ų71.169%0.68935%0.346SS*.THydrogen-bonded Turntrans-77.5-22.8177.7-63.40000112.7D56D56-C58 PolarHBondContact O-N 3.41Å; D56-C58 WeakPolarHBondContact OD1-CB 3.3Å; D56-C58 PolarHBondContact OD1-N 3.49Å
59H72.5Confident82.4Confident93 Ų9363.6 Ų63.643%0.43132%0.317SS..  trans-137.168.3179.6-53.893.9000110.2D56 D61 T62D56-H59 HydrophobicContact CB-CB 4.42Å; D56-H59 CarbonylContact O-C 3.54Å; D56-H59 PolarHBondContact O-N 3Å; D56-H59 VanDerWaalsContact O-N 3.09Å; D56-H59 IonicContact OD2-CE1 2.9Å; D56-H59 IonicContact OD2-CG 3.87Å; D56-H59 IonicContact OD2-ND1 3.66Å; D56-H59 PolarHBondContact OD2-ND1 2.88Å; H59-D61 PolarHBondContact O-N 3.23Å; H59-T62 PolarHBondContact O-N 2.89Å; H59-T62 PolarHBondContact O-OG1 2.85Å
60P68.5Low83.3Confident43 Ų4357.3 Ų57.328%0.27930%0.303SS..THydrogen-bonded Turntrans-69.4-8.2-172.329.1-35.9000113.3D56 F63D56-P60 WeakPolarHBondContact O-CA 3.49Å; D56-P60 VanDerWaalsContact O-N 3.11Å; P60-F63 WeakPolarHBondContact O-CD1 3.38Å; P60-F63 WeakPolarHBondContact O-CE1 3.38Å
61D71.4Confident83.8Confident104 Ų10456.9 Ų56.956%0.55630%0.302SS*.THydrogen-bonded Turntrans-88.3-2.9179.8-71.4-54.9000114.5H59 R196H59-D61 PolarHBondContact O-N 3.23Å; D61-R196 WeakPolarHBondContact OD1-CD 3.49Å; D61-R196 IonicContact OD1-CZ 2.73Å; D61-R196 IonicContact OD1-NE 3.24Å; D61-R196 IonicContact OD1-NH1 3.31Å; D61-R196 PolarHBondContact OD1-NH1 3.47Å
62T81.1Confident84Confident37 Ų3756.8 Ų56.823%0.22730%0.3CS..SBendtrans-10716.3-169.754.80000115.2N34 Y35 H59N34-T62 VanDerWaalsContact OD1-C 3.24Å; N34-T62 WeakPolarHBondContact OD1-CB 3.48Å; N34-T62 PolarHBondContact OD1-O 2.78Å; N34-T62 PolarHBondContact OD1-OG1 3.01Å; Y35-T62 WeakPolarHBondContact CB-O 3.39Å; Y35-T62 WeakPolarHBondContact CD2-O 3.4Å; Y35-T62 PolarHBondContact N-O 3.02Å; Y35-T62 WeakPolarHBondContact O-CB 3.44Å; Y35-T62 PolarHBondContact O-OG1 3.49Å; H59-T62 PolarHBondContact O-N 2.89Å; H59-T62 PolarHBondContact O-OG1 2.85Å
63F85.8Confident84.1Confident37 Ų3760.3 Ų60.316%0.16232%0.316CS..EExtended strand (participates in β ladder)trans-96.9159.1178.874.5-89.5000114.1I32 V33 I55 P60 Y65I32-F63 HydrophobicContact CG2-CB 3.95Å; I32-F63 HydrophobicContact CG2-CD2 3.79Å; I32-F63 HydrophobicContact CG2-CG 4.19Å; V33-F63 CarbonylContact O-C 3.55Å; V33-F63 WeakPolarHBondContact O-CA 3.37Å; V33-F63 WeakPolarHBondContact O-CB 3.43Å; I55-F63 HydrophobicContact CB-CD1 4.42Å; I55-F63 HydrophobicContact CD1-CD1 4.21Å; I55-F63 HydrophobicContact CD1-CD2 4.31Å; I55-F63 HydrophobicContact CD1-CE1 4.16Å; I55-F63 HydrophobicContact CD1-CE2 4.25Å; I55-F63 HydrophobicContact CD1-CG 4.29Å; I55-F63 HydrophobicContact CD1-CZ 4.18Å; I55-F63 HydrophobicContact CG1-CB 4.15Å; I55-F63 HydrophobicContact CG1-CD1 4Å; I55-F63 HydrophobicContact CG1-CD2 4.18Å; I55-F63 HydrophobicContact CG1-CE1 4.46Å; I55-F63 HydrophobicContact CG1-CG 3.85Å; I55-F63 HydrophobicContact CG2-CB 4.48Å; I55-F63 HydrophobicContact CG2-CD1 3.67Å; I55-F63 HydrophobicContact CG2-CE1 4.2Å; I55-F63 HydrophobicContact CG2-CG 4.26Å; P60-F63 WeakPolarHBondContact O-CD1 3.38Å; P60-F63 WeakPolarHBondContact O-CE1 3.38Å; F63-Y65 HydrophobicContact CD2-CE2 4.27Å; F63-Y65 HydrophobicContact CE2-CD2 4.47Å; F63-Y65 AromaticContact CE2-CE2 3.66Å; F63-Y65 HydrophobicContact CE2-CE2 3.66Å; F63-Y65 AromaticContact CE2-CZ 3.97Å
64S86.8Confident84.2Confident30 Ų3059.3 Ų59.321%0.2131%0.311CS..EExtended strand (participates in β ladder)trans-142157.9170.1800000111.1V33 Y35 P66 N74V33-S64 PolarHBondContact N-O 3.36Å; V33-S64 VanDerWaalsContact N-O 3.1Å; V33-S64 PolarHBondContact O-N 3.39Å; Y35-S64 WeakPolarHBondContact CE2-OG 3.35Å; S64-P66 WeakPolarHBondContact O-CD 3.25Å; S64-N74 PolarHBondContact OG-ND2 3.36Å; S64-N74 VanDerWaalsContact OG-ND2 3.11Å
65Y90.2Very high84.4Confident60 Ų6061.2 Ų61.224%0.23531%0.312CS..  trans-94.3108.6168.6-62.6-86.7000108.8I32 F63 I67I32-Y65 HydrophobicContact CD1-CD1 4.37Å; I32-Y65 HydrophobicContact CD1-CE1 3.58Å; I32-Y65 HydrophobicContact CG1-CD1 3.78Å; I32-Y65 HydrophobicContact CG1-CE1 3.5Å; I32-Y65 VanDerWaalsContact CG1-CE1 3.5Å; F63-Y65 HydrophobicContact CD2-CE2 4.27Å; F63-Y65 HydrophobicContact CE2-CD2 4.47Å; F63-Y65 AromaticContact CE2-CE2 3.66Å; F63-Y65 HydrophobicContact CE2-CE2 3.66Å; F63-Y65 AromaticContact CE2-CZ 3.97Å; Y65-I67 PolarHBondContact O-N 3.33Å
66P92.4Very high84.8Confident0 Ų063.3 Ų63.30%032%0.321CS..SBendtrans-66.6-23.4-173.6-2536.6000114.7N31 V33 S64 L73 N74 V78 L81N31-P66 VanDerWaalsContact O-CD 3.25Å; N31-P66 WeakPolarHBondContact O-CD 3.13Å; V33-P66 HydrophobicContact CB-CG 4.38Å; V33-P66 HydrophobicContact CG1-CG 3.92Å; V33-P66 HydrophobicContact CG2-CG 3.64Å; S64-P66 WeakPolarHBondContact O-CD 3.25Å; P66-L73 PolarHBondContact O-N 2.9Å; P66-N74 HydrophobicContact CB-CB 4.27Å; P66-N74 PolarHBondContact O-N 2.91Å; P66-V78 HydrophobicContact CB-CG2 3.63Å; P66-L81 HydrophobicContact CG-CD1 4.12Å
67I91.8Very high85.3Confident4 Ų461.5 Ų61.52%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-129121.6-179.7-50.1177.9000108.2H10 S12 N31 Y65 R71 I72 V78H10-I67 HydrophobicContact CB-CD1 3.82Å; H10-I67 WeakPolarHBondContact O-CD1 3.48Å; S12-I67 VanDerWaalsContact CA-O 3.3Å; S12-I67 WeakPolarHBondContact CA-O 3.46Å; S12-I67 WeakPolarHBondContact CB-O 3.46Å; N31-I67 WeakPolarHBondContact ND2-CB 3.17Å; N31-I67 PolarHBondContact ND2-N 2.56Å; N31-I67 PolarHBondContact ND2-O 3.24Å; Y65-I67 PolarHBondContact O-N 3.33Å; I67-R71 CarbonylContact C-O 3.59Å; I67-R71 VanDerWaalsContact CA-O 3.23Å; I67-R71 WeakPolarHBondContact CA-O 3.35Å; I67-R71 WeakPolarHBondContact CG2-O 3.24Å; I67-I72 HydrophobicContact CD1-CG1 4.46Å; I67-I72 HydrophobicContact CG1-CG1 4.19Å; I67-V78 HydrophobicContact CD1-CG2 4.19Å; I67-V78 HydrophobicContact CG1-CG2 3.83Å
68E90.3Very high86.1Confident69 Ų6955 Ų5532%0.32228%0.278SS..EExtended strand (participates in β ladder)trans-126131.8175.8-68.3-167.8-149.400109.8G70 R71 L73E68-G70 PolarHBondContact O-N 3.36Å; E68-G70 VanDerWaalsContact O-N 3.15Å; E68-R71 PolarHBondContact N-O 2.76Å; E68-R71 PolarHBondContact O-N 2.95Å; E68-L73 HydrophobicContact CB-CD1 3.78Å; E68-L73 HydrophobicContact CB-CG 4.39Å; E68-L73 HydrophobicContact CG-CD1 3.85Å
69R90.3Very high87.1Confident65 Ų6553.3 Ų53.325%0.24526%0.26CS..THydrogen-bonded Turntrans44.747.6-177-55.2-159.3-177.1-85.19.6113.3S12 R71 G153 L154 E174 D179S12-R69 PolarHBondContact OG-N 3.26Å; R69-R71 PolarHBondContact O-N 2.91Å; R69-G153 WeakPolarHBondContact CG-O 3.44Å; R69-G153 PolarHBondContact NH1-O 3.44Å; R69-L154 HydrophobicContact CB-CD2 3.95Å; R69-L154 HydrophobicContact CB-CG 3.98Å; R69-L154 WeakPolarHBondContact O-CD1 3.38Å; R69-E174 VanDerWaalsContact CZ-O 3.32Å; R69-E174 PolarHBondContact NH1-O 3.48Å; R69-D179 IonicContact CZ-OD1 2.84Å; R69-D179 IonicContact CZ-OD2 3.91Å; R69-D179 IonicContact NH1-OD1 3.71Å; R69-D179 IonicContact NH1-OD2 3.82Å; R69-D179 PolarHBondContact NH1-OD2 3.34Å; R69-D179 IonicContact NH2-OD1 3.56Å; R69-D179 PolarHBondContact NH2-OD1 2.98Å; R69-D179 IonicContact NH2-OD2 3.65Å; R69-D179 PolarHBondContact NH2-OD2 3.4Å
70G87.4Confident88.1Confident31 Ų3152.4 Ų52.432%0.3225%0.253SS..THydrogen-bonded Turntrans72.4-1.7-179.400000116.2S12 E68S12-G70 PolarHBondContact OG-N 3.11Å; E68-G70 PolarHBondContact O-N 3.36Å; E68-G70 VanDerWaalsContact O-N 3.15Å
71R88.5Confident89.4Confident168 Ų16850.5 Ų50.563%0.63424%0.24SC*.EExtended strand (participates in β ladder)trans-100.3138.3179.3-57.3-174.8-170.1-159.84.6111.1I67 E68 R69 L73I67-R71 CarbonylContact C-O 3.59Å; I67-R71 VanDerWaalsContact CA-O 3.23Å; I67-R71 WeakPolarHBondContact CA-O 3.35Å; I67-R71 WeakPolarHBondContact CG2-O 3.24Å; E68-R71 PolarHBondContact N-O 2.76Å; E68-R71 PolarHBondContact O-N 2.95Å; R69-R71 PolarHBondContact O-N 2.91Å; R71-L73 HydrophobicContact CB-CD2 4.49Å; R71-L73 PolarHBondContact O-N 3.06Å
72I90.1Very high90.6Very high22 Ų2245.6 Ų45.611%0.11321%0.214CC..EExtended strand (participates in β ladder)trans-81.9112.5175.1-61.8170.2000108.4I67 W75 V78 M114I67-I72 HydrophobicContact CD1-CG1 4.46Å; I67-I72 HydrophobicContact CG1-CG1 4.19Å; I72-W75 HydrophobicContact CB-CH2 4.27Å; I72-W75 HydrophobicContact CB-CZ2 4.1Å; I72-W75 HydrophobicContact CD1-CE3 4.32Å; I72-W75 HydrophobicContact CD1-CH2 3.47Å; I72-W75 VanDerWaalsContact CD1-CH2 3.47Å; I72-W75 HydrophobicContact CD1-CZ2 4.17Å; I72-W75 HydrophobicContact CD1-CZ3 3.56Å; I72-W75 HydrophobicContact CG1-CH2 4.45Å; I72-W75 HydrophobicContact CG2-CD2 3.66Å; I72-W75 HydrophobicContact CG2-CE3 3.83Å; I72-W75 HydrophobicContact CG2-CG 4.16Å; I72-W75 HydrophobicContact CG2-CH2 4.2Å; I72-W75 HydrophobicContact CG2-CZ2 4.01Å; I72-W75 HydrophobicContact CG2-CZ3 4.11Å; I72-V78 HydrophobicContact CG1-CG2 4.39Å; I72-V78 HydrophobicContact CG2-CB 4.42Å; I72-V78 HydrophobicContact CG2-CG2 3.73Å; I72-M114 HydrophobicContact CD1-CG 4.31Å; I72-M114 HydrophobicContact CD1-SD 4.41Å
73L89.8Confident91.2Very high107 Ų10745.1 Ų45.156%0.5621%0.212SC*.  trans-95.6-24.9177.6-59.3-173.5000112.2P66 E68 R71P66-L73 PolarHBondContact O-N 2.9Å; E68-L73 HydrophobicContact CB-CD1 3.78Å; E68-L73 HydrophobicContact CB-CG 4.39Å; E68-L73 HydrophobicContact CG-CD1 3.85Å; R71-L73 HydrophobicContact CB-CD2 4.49Å; R71-L73 PolarHBondContact O-N 3.06Å
74N90.9Very high91.6Very high37 Ų3745.8 Ų45.820%0.19822%0.215CC..  trans-137.395.1-173.4-172.7-17.9000111.6Y35 S64 P66 E76 G77 V78Y35-N74 VanDerWaalsContact OH-CG 3.27Å; Y35-N74 PolarHBondContact OH-ND2 3.35Å; Y35-N74 PolarHBondContact OH-OD1 3.42Å; S64-N74 PolarHBondContact OG-ND2 3.36Å; S64-N74 VanDerWaalsContact OG-ND2 3.11Å; P66-N74 HydrophobicContact CB-CB 4.27Å; P66-N74 PolarHBondContact O-N 2.91Å; N74-E76 VanDerWaalsContact C-N 3.34Å; N74-E76 PolarHBondContact O-N 3.27Å; N74-E76 PolarHBondContact OD1-N 3.14Å; N74-G77 PolarHBondContact O-N 3.31Å; N74-G77 PolarHBondContact OD1-N 3.22Å; N74-V78 PolarHBondContact O-N 3.46Å
75W90.8Very high92.1Very high59 Ų5944.4 Ų44.422%0.22321%0.205CC..Hα-helixtrans-64.9-33.2-178.7-70.8103.7000113.8I72 V78 Q79 D110 K113 M114 I117I72-W75 HydrophobicContact CB-CH2 4.27Å; I72-W75 HydrophobicContact CB-CZ2 4.1Å; I72-W75 HydrophobicContact CD1-CE3 4.32Å; I72-W75 HydrophobicContact CD1-CH2 3.47Å; I72-W75 VanDerWaalsContact CD1-CH2 3.47Å; I72-W75 HydrophobicContact CD1-CZ2 4.17Å; I72-W75 HydrophobicContact CD1-CZ3 3.56Å; I72-W75 HydrophobicContact CG1-CH2 4.45Å; I72-W75 HydrophobicContact CG2-CD2 3.66Å; I72-W75 HydrophobicContact CG2-CE3 3.83Å; I72-W75 HydrophobicContact CG2-CG 4.16Å; I72-W75 HydrophobicContact CG2-CH2 4.2Å; I72-W75 HydrophobicContact CG2-CZ2 4.01Å; I72-W75 HydrophobicContact CG2-CZ3 4.11Å; W75-V78 PolarHBondContact O-N 3.46Å; W75-Q79 VanDerWaalsContact O-CB 3.29Å; W75-Q79 WeakPolarHBondContact O-CB 3.29Å; W75-Q79 PolarHBondContact O-N 2.86Å; W75-D110 HydrophobicContact CH2-CB 4.14Å; W75-D110 WeakPolarHBondContact CH2-O 3.49Å; W75-D110 HydrophobicContact CZ2-CB 4Å; W75-D110 WeakPolarHBondContact CZ2-OD1 3.48Å; W75-K113 HydrophobicContact CD2-CB 4.44Å; W75-K113 HydrophobicContact CD2-CG 3.63Å; W75-K113 HydrophobicContact CE3-CB 4.38Å; W75-K113 HydrophobicContact CE3-CG 3.7Å; W75-K113 HydrophobicContact CG-CG 4.22Å; W75-K113 HydrophobicContact CH2-CB 3.83Å; W75-K113 HydrophobicContact CH2-CG 4.04Å; W75-K113 HydrophobicContact CZ2-CB 3.92Å; W75-K113 HydrophobicContact CZ2-CG 4Å; W75-K113 HydrophobicContact CZ3-CB 4.07Å; W75-K113 HydrophobicContact CZ3-CG 3.89Å; W75-M114 HydrophobicContact CH2-CG 3.76Å; W75-M114 HydrophobicContact CZ3-CG 3.74Å; W75-I117 HydrophobicContact CB-CD1 4.48Å; W75-I117 HydrophobicContact CD2-CD1 4.37Å; W75-I117 HydrophobicContact CE3-CD1 3.49Å; W75-I117 VanDerWaalsContact CE3-CD1 3.49Å; W75-I117 HydrophobicContact CZ3-CD1 4.11Å
76E91.1Very high92.3Very high86 Ų8641.6 Ų41.640%0.40219%0.194SC..Hα-helixtrans-65.3-43.4176-176.2-178.2-153.500110.5Y35 V51 N74 Y80Y35-E76 WeakPolarHBondContact CE1-OE2 3.48Å; V51-E76 HydrophobicContact CG2-CG 4.12Å; N74-E76 VanDerWaalsContact C-N 3.34Å; N74-E76 PolarHBondContact O-N 3.27Å; N74-E76 PolarHBondContact OD1-N 3.14Å; E76-Y80 PolarHBondContact O-N 2.72Å
77G91.8Very high92.3Very high0 Ų047.1 Ų47.10%022%0.22CC..Hα-helixtrans-61-49.6174.500000112.3Y35 N74 Q79 Y80 L81Y35-G77 WeakPolarHBondContact OH-CA 3.34Å; Y35-G77 PolarHBondContact OH-N 2.85Å; N74-G77 PolarHBondContact O-N 3.31Å; N74-G77 PolarHBondContact OD1-N 3.22Å; G77-Q79 PolarHBondContact O-N 3.19Å; G77-Y80 PolarHBondContact O-N 3.47Å; G77-L81 WeakPolarHBondContact O-CG 3.15Å; G77-L81 PolarHBondContact O-N 2.8Å
78V92.9Very high92.3Very high1 Ų151.5 Ų51.51%0.00624%0.244CC..Hα-helixtrans-60.6-45.1178.2170.20000112P66 I67 I72 N74 W75 Y80 L81 W82P66-V78 HydrophobicContact CB-CG2 3.63Å; I67-V78 HydrophobicContact CD1-CG2 4.19Å; I67-V78 HydrophobicContact CG1-CG2 3.83Å; I72-V78 HydrophobicContact CG1-CG2 4.39Å; I72-V78 HydrophobicContact CG2-CB 4.42Å; I72-V78 HydrophobicContact CG2-CG2 3.73Å; N74-V78 PolarHBondContact O-N 3.46Å; W75-V78 PolarHBondContact O-N 3.46Å; V78-Y80 VanDerWaalsContact C-N 3.31Å; V78-Y80 PolarHBondContact O-N 2.9Å; V78-L81 PolarHBondContact O-N 2.83Å; V78-W82 HydrophobicContact CG1-CD2 3.76Å; V78-W82 HydrophobicContact CG1-CE3 4.14Å; V78-W82 HydrophobicContact CG1-CG 4.48Å; V78-W82 HydrophobicContact CG1-CH2 3.57Å; V78-W82 HydrophobicContact CG1-CZ2 3.11Å; V78-W82 HydrophobicContact CG1-CZ3 4.07Å; V78-W82 PolarHBondContact O-N 3.14Å
79Q94.8Very high92.3Very high67 Ų6749.6 Ų49.631%0.31324%0.235SC..Hα-helixtrans-56.1-46.6174.9175.7-170.1-18.900111.2W75 G77 W82 S83 I117 L121W75-Q79 VanDerWaalsContact O-CB 3.29Å; W75-Q79 WeakPolarHBondContact O-CB 3.29Å; W75-Q79 PolarHBondContact O-N 2.86Å; G77-Q79 PolarHBondContact O-N 3.19Å; Q79-W82 PolarHBondContact O-N 3.21Å; Q79-S83 WeakPolarHBondContact O-CB 3.32Å; Q79-S83 PolarHBondContact O-N 3.11Å; Q79-I117 HydrophobicContact CB-CG2 3.98Å; Q79-I117 HydrophobicContact CG-CG2 3.88Å; Q79-L121 HydrophobicContact CG-CD1 4.47Å
80Y94.6Very high92Very high74 Ų7450.1 Ų50.129%0.2924%0.239SC..Hα-helixtrans-61.4-46.1179178.4-92.5000111.7V33 V51 L53 E76 G77 V78 W82 S83 F84V33-Y80 HydrophobicContact CG1-CD1 4.36Å; V51-Y80 HydrophobicContact CB-CD1 4.45Å; V51-Y80 HydrophobicContact CB-CD2 3.82Å; V51-Y80 HydrophobicContact CB-CE2 4.32Å; V51-Y80 HydrophobicContact CB-CG 3.89Å; V51-Y80 HydrophobicContact CG1-CD1 3.8Å; V51-Y80 HydrophobicContact CG1-CD2 4.06Å; V51-Y80 HydrophobicContact CG1-CE1 4.44Å; V51-Y80 HydrophobicContact CG1-CG 3.6Å; V51-Y80 WeakPolarHBondContact O-CE2 3.45Å; L53-Y80 HydrophobicContact CB-CE1 4.41Å; E76-Y80 PolarHBondContact O-N 2.72Å; G77-Y80 PolarHBondContact O-N 3.47Å; V78-Y80 VanDerWaalsContact C-N 3.31Å; V78-Y80 PolarHBondContact O-N 2.9Å; Y80-W82 VanDerWaalsContact C-N 3.33Å; Y80-W82 PolarHBondContact O-N 3.24Å; Y80-S83 PolarHBondContact O-N 2.92Å; Y80-F84 WeakPolarHBondContact O-CB 3.44Å; Y80-F84 PolarHBondContact O-N 3.22Å
81L95Very high91.4Very high2 Ų255.1 Ų55.11%0.0125%0.248CC..Hα-helixtrans-59.3-43.2178.3-67.6-177.9000112.1L15 F29 N31 V33 L53 P66 G77 V78 F84 V85L15-L81 HydrophobicContact CD1-CB 3.95Å; L15-L81 HydrophobicContact CD1-CD1 4.37Å; F29-L81 HydrophobicContact CE2-CD2 3.92Å; N31-L81 WeakPolarHBondContact OD1-CD1 3.4Å; V33-L81 HydrophobicContact CG1-CD1 4.21Å; V33-L81 HydrophobicContact CG1-CD2 3.58Å; V33-L81 HydrophobicContact CG1-CG 3.74Å; L53-L81 HydrophobicContact CD1-CD2 3.34Å; P66-L81 HydrophobicContact CG-CD1 4.12Å; G77-L81 WeakPolarHBondContact O-CG 3.15Å; G77-L81 PolarHBondContact O-N 2.8Å; V78-L81 PolarHBondContact O-N 2.83Å; L81-F84 PolarHBondContact O-N 2.84Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 2.83Å; L81-V85 VanDerWaalsContact O-N 3.11Å
82W95.9Very high90.7Very high1 Ų156.2 Ų56.20%0.00426%0.261CS..Hα-helixtrans-67.8-42176-62.2-14.3000112.1I8 H10 V78 Q79 Y80 F84 V85 L86 I100 M114 I117 L118 L122I8-W82 HydrophobicContact CD1-CB 4.47Å; I8-W82 HydrophobicContact CD1-CG 4.45Å; H10-W82 AromaticContact CE1-CZ2 3.95Å; H10-W82 AromaticContact ND1-CE2 3.95Å; H10-W82 AromaticContact ND1-CZ2 3.52Å; H10-W82 AromaticContact ND1-NE1 3.76Å; V78-W82 HydrophobicContact CG1-CD2 3.76Å; V78-W82 HydrophobicContact CG1-CE3 4.14Å; V78-W82 HydrophobicContact CG1-CG 4.48Å; V78-W82 HydrophobicContact CG1-CH2 3.57Å; V78-W82 HydrophobicContact CG1-CZ2 3.11Å; V78-W82 HydrophobicContact CG1-CZ3 4.07Å; V78-W82 PolarHBondContact O-N 3.14Å; Q79-W82 PolarHBondContact O-N 3.21Å; Y80-W82 VanDerWaalsContact C-N 3.33Å; Y80-W82 PolarHBondContact O-N 3.24Å; W82-F84 VanDerWaalsContact C-N 3.3Å; W82-F84 PolarHBondContact O-N 2.87Å; W82-V85 PolarHBondContact O-N 2.9Å; W82-L86 VanDerWaalsContact O-CG 3.31Å; W82-L86 WeakPolarHBondContact O-CG 3.46Å; W82-L86 PolarHBondContact O-N 3.39Å; W82-I100 HydrophobicContact CD2-CD1 4.09Å; W82-I100 HydrophobicContact CH2-CD1 3.8Å; W82-I100 HydrophobicContact CZ2-CD1 3.17Å; W82-I100 HydrophobicContact CZ3-CD1 4.47Å; W82-M114 HydrophobicContact CH2-CB 4.15Å; W82-M114 HydrophobicContact CH2-CE 4.24Å; W82-M114 HydrophobicContact CH2-CG 3.97Å; W82-M114 HydrophobicContact CZ2-CE 4.4Å; W82-I117 HydrophobicContact CE3-CG2 3.77Å; W82-I117 HydrophobicContact CZ3-CB 4.09Å; W82-I117 HydrophobicContact CZ3-CG2 3.81Å; W82-L118 HydrophobicContact CE3-CD2 3.95Å; W82-L118 HydrophobicContact CE3-CG 4.17Å; W82-L118 HydrophobicContact CZ3-CD1 4.45Å; W82-L118 HydrophobicContact CZ3-CD2 4.26Å; W82-L118 HydrophobicContact CZ3-CG 3.98Å; W82-L122 HydrophobicContact CB-CD1 3.64Å; W82-L122 HydrophobicContact CE3-CD1 4.1Å
83S95Very high89.6Confident27 Ų2764.2 Ų64.219%0.18930%0.297CS..Hα-helixtrans-57.1-46.9174.9-160.60000110.9Q79 Y80 V85 L86 E87Q79-S83 WeakPolarHBondContact O-CB 3.32Å; Q79-S83 PolarHBondContact O-N 3.11Å; Y80-S83 PolarHBondContact O-N 2.92Å; S83-V85 PolarHBondContact O-N 3Å; S83-L86 PolarHBondContact O-N 3.01Å; S83-E87 WeakPolarHBondContact O-CB 3.29Å; S83-E87 VanDerWaalsContact O-CG 3.27Å; S83-E87 WeakPolarHBondContact O-CG 3.33Å; S83-E87 PolarHBondContact O-N 3.27Å; S83-E87 PolarHBondContact OG-OE1 3.4Å
84F94.5Very high89.3Confident52 Ų5266.5 Ų66.523%0.22831%0.305CS..Hα-helixtrans-57.4-46.3177.6178-101.9000111.9M27 F29 L53 Y80 L81 W82 N88M27-F84 HydrophobicContact CE-CD1 3.96Å; M27-F84 HydrophobicContact CE-CE1 3.33Å; M27-F84 HydrophobicContact CE-CZ 4.04Å; F29-F84 HydrophobicContact CD1-CE1 4.46Å; F29-F84 HydrophobicContact CE1-CD1 4.07Å; F29-F84 HydrophobicContact CE1-CE1 4.02Å; F29-F84 HydrophobicContact CZ-CD1 4.06Å; F29-F84 HydrophobicContact CZ-CE1 4.4Å; L53-F84 HydrophobicContact CD2-CD1 4.41Å; L53-F84 HydrophobicContact CD2-CE1 3.87Å; L53-F84 HydrophobicContact CD2-CZ 4.12Å; Y80-F84 WeakPolarHBondContact O-CB 3.44Å; Y80-F84 PolarHBondContact O-N 3.22Å; L81-F84 PolarHBondContact O-N 2.84Å; W82-F84 VanDerWaalsContact C-N 3.3Å; W82-F84 PolarHBondContact O-N 2.87Å; F84-N88 PolarHBondContact O-N 2.87Å; F84-N88 PolarHBondContact O-ND2 2.8Å
85V95.6Very high89.2Confident0 Ų065.7 Ų65.70%030%0.301CS..Hα-helixtrans-61.8-47.3176.8170.90000111.6V6 I8 L15 A17 F29 L81 W82 S83 N88 H89V6-V85 HydrophobicContact CG1-CG1 4.04Å; I8-V85 HydrophobicContact CD1-CB 4.35Å; I8-V85 HydrophobicContact CD1-CG1 4.03Å; I8-V85 HydrophobicContact CG1-CG1 4.01Å; L15-V85 HydrophobicContact CD1-CG2 4.48Å; L15-V85 HydrophobicContact CD2-CG2 3.72Å; A17-V85 HydrophobicContact CB-CB 4.35Å; A17-V85 HydrophobicContact CB-CG1 3.45Å; A17-V85 VanDerWaalsContact CB-CG1 3.45Å; A17-V85 HydrophobicContact CB-CG2 3.88Å; F29-V85 HydrophobicContact CE1-CG2 4.08Å; F29-V85 HydrophobicContact CZ-CG2 3.87Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 2.83Å; L81-V85 VanDerWaalsContact O-N 3.11Å; W82-V85 PolarHBondContact O-N 2.9Å; S83-V85 PolarHBondContact O-N 3Å; V85-N88 PolarHBondContact O-N 2.82Å; V85-H89 PolarHBondContact O-N 3.37Å; V85-H89 PolarHBondContact O-ND1 3.4Å
86L94.6Very high89.3Confident1 Ų163.5 Ų63.51%0.00530%0.295CS..Hα-helixtrans-66.1-42.8-178-66.5176.6000111.3V6 W82 S83 N88 H89 K90 V95 P96 V98 L122 V124V6-L86 HydrophobicContact CG1-CD2 4.49Å; W82-L86 VanDerWaalsContact O-CG 3.31Å; W82-L86 WeakPolarHBondContact O-CG 3.46Å; W82-L86 PolarHBondContact O-N 3.39Å; S83-L86 PolarHBondContact O-N 3.01Å; L86-N88 VanDerWaalsContact C-N 3.27Å; L86-N88 PolarHBondContact O-N 3.43Å; L86-H89 CarbonylContact O-C 3.59Å; L86-H89 PolarHBondContact O-N 3.06Å; L86-K90 VanDerWaalsContact O-CG 3.25Å; L86-K90 WeakPolarHBondContact O-CG 3.35Å; L86-K90 PolarHBondContact O-N 3.03Å; L86-V95 HydrophobicContact CD1-CG1 4.25Å; L86-P96 HydrophobicContact CD2-CG 4.38Å; L86-V98 HydrophobicContact CD2-CG2 3.59Å; L86-L122 HydrophobicContact CD1-CB 3.92Å; L86-L122 HydrophobicContact CD1-CD1 3.94Å; L86-L122 HydrophobicContact CD1-CG 4.41Å; L86-V124 HydrophobicContact CD1-CG1 3.85Å
87E93Very high89.5Confident116 Ų11660.2 Ų60.254%0.54228%0.281SS..Hα-helixtrans-56.9-39.8175.7-76.5166.4-153.800112.5S83 H89S83-E87 WeakPolarHBondContact O-CB 3.29Å; S83-E87 VanDerWaalsContact O-CG 3.27Å; S83-E87 WeakPolarHBondContact O-CG 3.33Å; S83-E87 PolarHBondContact O-N 3.27Å; S83-E87 PolarHBondContact OG-OE1 3.4Å; E87-H89 PolarHBondContact O-N 2.99Å
88N91.5Very high89.7Confident96 Ų9660.2 Ų60.251%0.51328%0.281SS..Hα-helixtrans-70.9-16.1175.9-79.1-84.5000113.9M27 F84 V85 L86M27-N88 HydrophobicContact CE-CB 4.12Å; M27-N88 HydrophobicContact SD-CB 3.95Å; F84-N88 PolarHBondContact O-N 2.87Å; F84-N88 PolarHBondContact O-ND2 2.8Å; V85-N88 PolarHBondContact O-N 2.82Å; L86-N88 VanDerWaalsContact C-N 3.27Å; L86-N88 PolarHBondContact O-N 3.43Å
89H89.6Confident89.9Confident30 Ų3060.1 Ų60.114%0.13928%0.28CS..Hα-helixtrans-115.7-4.1-177.2-70.685.3000114.4V6 M27 V85 L86 E87V6-H89 HydrophobicContact CG2-CB 3.61Å; M27-H89 PolarHBondContact SD-CE1 3.29Å; V85-H89 PolarHBondContact O-N 3.37Å; V85-H89 PolarHBondContact O-ND1 3.4Å; L86-H89 CarbonylContact O-C 3.59Å; L86-H89 PolarHBondContact O-N 3.06Å; E87-H89 PolarHBondContact O-N 2.99Å
90K83.8Confident89.9Confident76 Ų7657 Ų5733%0.3327%0.265SS..  trans-65.2142.2175.6-82.5170.5-161.3-165.80110.5L86 V95L86-K90 VanDerWaalsContact O-CG 3.25Å; L86-K90 WeakPolarHBondContact O-CG 3.35Å; L86-K90 PolarHBondContact O-N 3.03Å; K90-V95 HydrophobicContact CD-CG2 4.22Å; K90-V95 HydrophobicContact CG-CG2 4.45Å
91R75.9Confident89.9Confident135 Ų13553.4 Ų53.451%0.50925%0.252SS..BIsolated β-bridgetrans-117132.4171.4-73.1178.1167-167.2-13.4108.7H93 E94R91-H93 PolarHBondContact O-N 3.21Å; R91-E94 PolarHBondContact O-N 3.47Å
92E72.7Confident89.5Confident192 Ų19254.6 Ų54.690%0.89726%0.257SS*.THydrogen-bonded Turntrans46.536.2169.3-60.9178-175.400113.7E94E92-E94 PolarHBondContact O-N 2.89Å
93H67.1Low88.8Confident189 Ų18955.6 Ų55.688%0.87526%0.263SS*.THydrogen-bonded Turntrans72.23.9-176.1-53-79.9000118.1R91R91-H93 PolarHBondContact O-N 3.21Å
94E85.3Confident87.4Confident155 Ų15557.4 Ų57.472%0.72427%0.274SS*.BIsolated β-bridgetrans-90.3131.1175.3-159.7175-169.200111.8R91 E92R91-E94 PolarHBondContact O-N 3.47Å; E92-E94 PolarHBondContact O-N 2.89Å
95V88.8Confident85.5Confident20 Ų2060.5 Ų60.512%0.12129%0.293CS..PPolyproline II helixtrans-84.4128.5178.2-169.40000109.3L86 K90 V124 P125L86-V95 HydrophobicContact CD1-CG1 4.25Å; K90-V95 HydrophobicContact CD-CG2 4.22Å; K90-V95 HydrophobicContact CG-CG2 4.45Å; V95-V124 HydrophobicContact CG1-CB 4.41Å; V95-V124 HydrophobicContact CG1-CG1 3.91Å; V95-P125 VanDerWaalsContact O-CD 3.25Å; V95-P125 WeakPolarHBondContact O-CD 3.4Å; V95-P125 WeakPolarHBondContact O-CG 3.45Å
96P92.4Very high83.8Confident14 Ų1471.8 Ų71.89%0.09134%0.335CS..PPolyproline II helixtrans-74156.9-179.328-32.9000112.6R4 V6 L86 P125R4-P96 WeakPolarHBondContact O-CB 3.32Å; V6-P96 HydrophobicContact CB-CG 4.11Å; V6-P96 HydrophobicContact CG2-CB 3.92Å; V6-P96 HydrophobicContact CG2-CG 3.38Å; L86-P96 HydrophobicContact CD2-CG 4.38Å; P96-P125 WeakPolarHBondContact O-CD 3.44Å
97P94.8Very high82.6Confident16 Ų1677.5 Ų77.510%0.10436%0.362CS..PPolyproline II helixtrans-54.3145.6161.9-24.334.7000111.6A3 T5 V6 P125 S126 W354A3-P97 HydrophobicContact CB-CG 4.06Å; T5-P97 WeakPolarHBondContact CA-O 3.49Å; V6-P97 PolarHBondContact N-O 3.48Å; P97-P125 HydrophobicContact CG-CG 3.99Å; P97-S126 WeakPolarHBondContact CB-OG 3.39Å; P97-W354 HydrophobicContact CB-CH2 4.17Å; P97-W354 HydrophobicContact CB-CZ3 3.74Å
98V96.4Very high82Confident0 Ų077.3 Ų77.30%037%0.371CS..EExtended strand (participates in β ladder)trans-123.2130-174179.70000111.9V6 I8 L86 I100 V124 S126 V127 L128V6-V98 CarbonylContact O-C 3.4Å; V6-V98 VanDerWaalsContact O-CA 3.3Å; V6-V98 WeakPolarHBondContact O-CA 3.25Å; I8-V98 HydrophobicContact CD1-CG1 3.97Å; I8-V98 HydrophobicContact CG1-CG1 4.13Å; L86-V98 HydrophobicContact CD2-CG2 3.59Å; V98-I100 HydrophobicContact CG1-CB 4.39Å; V98-V124 HydrophobicContact CG2-CB 4.27Å; V98-V124 HydrophobicContact CG2-CG1 3.73Å; V98-S126 PolarHBondContact N-O 3.08Å; V98-V127 CarbonylContact O-C 3.48Å; V98-V127 VanDerWaalsContact O-CA 3.25Å; V98-V127 WeakPolarHBondContact O-CA 3.46Å; V98-L128 PolarHBondContact O-N 2.97Å
99I97Very high81.8Confident0 Ų075.4 Ų75.40%037%0.368CS..EExtended strand (participates in β ladder)trans-95.6124.4157.8-54.1-179.1000107.1T5 V6 I7 I8 L128 A130 A341 A345 W354T5-I99 HydrophobicContact CG2-CD1 3.96Å; T5-I99 HydrophobicContact CG2-CG1 3.68Å; V6-I99 PolarHBondContact O-N 3.11Å; I7-I99 CarbonylContact C-O 3.54Å; I7-I99 WeakPolarHBondContact CA-O 3.27Å; I7-I99 HydrophobicContact CG1-CB 4.19Å; I7-I99 HydrophobicContact CG1-CD1 4.27Å; I7-I99 HydrophobicContact CG1-CG1 4.5Å; I8-I99 PolarHBondContact N-O 3.38Å; I99-L128 WeakPolarHBondContact CA-O 3.49Å; I99-L128 HydrophobicContact CD1-CD2 4.04Å; I99-L128 HydrophobicContact CG1-CB 4.11Å; I99-L128 HydrophobicContact CG1-CD2 4.11Å; I99-L128 HydrophobicContact CG2-CB 4.44Å; I99-L128 HydrophobicContact CG2-CD2 4.26Å; I99-L128 HydrophobicContact CG2-CG 4.48Å; I99-A130 HydrophobicContact CG2-CB 3.73Å; I99-A341 WeakPolarHBondContact CD1-O 3.36Å; I99-A341 HydrophobicContact CG2-CB 4.08Å; I99-A345 HydrophobicContact CD1-CB 3.5Å; I99-W354 HydrophobicContact CD1-CH2 4.25Å; I99-W354 HydrophobicContact CD1-CZ2 4.01Å; I99-W354 HydrophobicContact CG1-CH2 3.55Å; I99-W354 HydrophobicContact CG1-CZ2 3.75Å
100I95.3Very high81.7Confident0 Ų076.4 Ų76.40%038%0.375CS..EExtended strand (participates in β ladder)trans-117.7127.8172.1-172.6161.7000109.1I8 W82 V98 M114 L118 V127 L128 L129 A130I8-I100 HydrophobicContact CB-CG1 4.38Å; I8-I100 WeakPolarHBondContact O-CA 3.36Å; W82-I100 HydrophobicContact CD2-CD1 4.09Å; W82-I100 HydrophobicContact CH2-CD1 3.8Å; W82-I100 HydrophobicContact CZ2-CD1 3.17Å; W82-I100 HydrophobicContact CZ3-CD1 4.47Å; V98-I100 HydrophobicContact CG1-CB 4.39Å; I100-M114 HydrophobicContact CD1-CE 3.88Å; I100-M114 HydrophobicContact CG1-CE 4.18Å; I100-M114 HydrophobicContact CG2-CE 4.05Å; I100-L118 HydrophobicContact CG2-CD1 4.12Å; I100-V127 HydrophobicContact CG2-CG1 4.09Å; I100-L128 PolarHBondContact N-O 3.33Å; I100-L129 HydrophobicContact CG2-CD2 3.29Å; I100-L129 WeakPolarHBondContact O-CA 3.32Å; I100-A130 PolarHBondContact O-N 2.83Å
101T93.7Very high81.8Confident0 Ų078.8 Ų78.80%038%0.382CS..EExtended strand (participates in β ladder)trans-85.9136.3-178.172.10000109.4I8 D9 H10 A130 Q132 V337 A341I8-T101 PolarHBondContact O-N 3.41Å; D9-T101 VanDerWaalsContact CA-OG1 3.31Å; D9-T101 WeakPolarHBondContact CA-OG1 3.25Å; D9-T101 HydrophobicContact CB-CG2 4.18Å; D9-T101 PolarHBondContact OD1-OG1 3.19Å; D9-T101 VanDerWaalsContact OD1-OG1 3.12Å; H10-T101 PolarHBondContact CD2-O 3.34Å; H10-T101 PolarHBondContact NE2-O 2.84Å; T101-A130 CarbonylContact C-O 3.47Å; T101-A130 WeakPolarHBondContact CA-O 3.24Å; T101-Q132 PolarHBondContact OG1-NE2 3.29Å; T101-V337 HydrophobicContact CG2-CG1 3.61Å; T101-A341 HydrophobicContact CG2-CB 4.35Å
102E87.4Confident82.5Confident26 Ų2678.8 Ų78.812%0.12139%0.385CS..EExtended strand (participates in β ladder)trans-125.2156177.959.7178.3-170.600111.6R111 L129 A130 Q132E102-R111 IonicContact OE1-CZ 3.98Å; E102-R111 IonicContact OE1-NE 3.36Å; E102-R111 IonicContact OE1-NH2 3.84Å; E102-R111 PolarHBondContact OE1-NH2 2.92Å; E102-R111 IonicContact OE2-NE 2.72Å; E102-R111 IonicContact OE2-NH2 3.71Å; E102-L129 HydrophobicContact CG-CB 4.49Å; E102-A130 PolarHBondContact N-O 3.05Å; E102-Q132 WeakPolarHBondContact O-CG 3.41Å; E102-Q132 PolarHBondContact O-N 2.86Å
103T80.8Confident83.4Confident22 Ų2272.8 Ų72.814%0.13536%0.356CS..  trans-83.8137.1166.4-70.30000108.2L105 Q132 R156T103-L105 HydrophobicContact CG2-CB 4.14Å; T103-L105 HydrophobicContact CG2-CD1 4.07Å; T103-L105 HydrophobicContact CG2-CG 4.11Å; T103-L105 PolarHBondContact O-N 2.87Å; T103-Q132 PolarHBondContact OG1-OE1 3.22Å; T103-R156 PolarHBondContact OG1-NH1 2.91Å
104P64.7Low84.6Confident65 Ų6564.2 Ų64.242%0.42232%0.316SS..SBendtrans-75.565.3176.733.5-35.3000110.3D131 R156P104-D131 VanDerWaalsContact CB-OD2 3.25Å; P104-D131 WeakPolarHBondContact CB-OD2 3.39Å; P104-D131 WeakPolarHBondContact CD-OD2 3.31Å; P104-D131 WeakPolarHBondContact CG-OD2 3.25Å; P104-R156 VanDerWaalsContact CD-NH1 3.32Å
105L54.3Low85Confident117 Ų11757.6 Ų57.661%0.61329%0.286SS*.  trans-140.4123.4170.5-72.6172.9000108.3T103T103-L105 HydrophobicContact CG2-CB 4.14Å; T103-L105 HydrophobicContact CG2-CD1 4.07Å; T103-L105 HydrophobicContact CG2-CG 4.11Å; T103-L105 PolarHBondContact O-N 2.87Å
106R61.2Low85.3Confident237 Ų23759.3 Ų59.389%0.89429%0.293SS*.  trans-105.6134.3-149.8-70.9171.6167.1172.4-3.6112.6
107E68Low85.4Confident121 Ų12158.8 Ų58.857%0.56529%0.289SS*.  -125.5135.2123.6-67.6-164.3176.300108.6A109 D110 R111E107-A109 HydrophobicContact CB-CB 4.27Å; E107-A109 PolarHBondContact O-N 3Å; E107-A109 VanDerWaalsContact O-N 3.08Å; E107-D110 PolarHBondContact O-N 3.36Å; E107-R111 PolarHBondContact O-N 3.3Å
108P81Confident85.4Confident113 Ų11358 Ų5873%0.73428%0.284SS*.Hα-helixtrans-54-26.9171.1-25.734.6000112.7K112P108-K112 WeakPolarHBondContact O-CB 3.33Å; P108-K112 PolarHBondContact O-N 2.94Å
109A86.8Confident85.5Confident55 Ų5558 Ų5846%0.45528%0.284SS..Hα-helixtrans-61.8-46.1174.300000112.4E107 K112 K113E107-A109 HydrophobicContact CB-CB 4.27Å; E107-A109 PolarHBondContact O-N 3Å; E107-A109 VanDerWaalsContact O-N 3.08Å; A109-K112 WeakPolarHBondContact O-CB 3.46Å; A109-K112 PolarHBondContact O-N 2.89Å; A109-K113 WeakPolarHBondContact O-CB 3.17Å; A109-K113 PolarHBondContact O-N 3.25Å
110D87.6Confident85.4Confident52 Ų5261.1 Ų61.128%0.27830%0.299SS..Hα-helixtrans-63.9-48.2179.7-70.5-13000110.9W75 E107 K112 K113 M114W75-D110 HydrophobicContact CH2-CB 4.14Å; W75-D110 WeakPolarHBondContact CH2-O 3.49Å; W75-D110 HydrophobicContact CZ2-CB 4Å; W75-D110 WeakPolarHBondContact CZ2-OD1 3.48Å; E107-D110 PolarHBondContact O-N 3.36Å; D110-K112 VanDerWaalsContact C-N 3.3Å; D110-K112 PolarHBondContact O-N 3.01Å; D110-K113 CarbonylContact O-C 3.5Å; D110-K113 PolarHBondContact O-N 3.01Å; D110-M114 WeakPolarHBondContact O-CG 3.34Å; D110-M114 PolarHBondContact O-N 3.24Å
111R87.8Confident85.4Confident126 Ų12665 Ų6548%0.47532%0.319SS..Hα-helixtrans-58.9-44.1176.5-176.9177.8-77.8-178-6.6111.2E102 E107 K113 M114 L115 L129E102-R111 IonicContact OE1-CZ 3.98Å; E102-R111 IonicContact OE1-NE 3.36Å; E102-R111 IonicContact OE1-NH2 3.84Å; E102-R111 PolarHBondContact OE1-NH2 2.92Å; E102-R111 IonicContact OE2-NE 2.72Å; E102-R111 IonicContact OE2-NH2 3.71Å; E107-R111 PolarHBondContact O-N 3.3Å; R111-K113 VanDerWaalsContact C-N 3.29Å; R111-K113 PolarHBondContact O-N 2.86Å; R111-M114 PolarHBondContact O-N 2.96Å; R111-L115 HydrophobicContact CG-CD1 4.41Å; R111-L115 WeakPolarHBondContact O-CG 3.43Å; R111-L115 PolarHBondContact O-N 3.3Å; R111-L115 VanDerWaalsContact O-N 3.08Å; R111-L129 HydrophobicContact CG-CD1 3.71Å
112K89.8Confident85.4Confident135 Ų13565.4 Ų65.459%0.58732%0.321SS*.Hα-helixtrans-58.6-43175.1-177.1179.2179.1177.80111.2P108 A109 D110 L115 E116P108-K112 WeakPolarHBondContact O-CB 3.33Å; P108-K112 PolarHBondContact O-N 2.94Å; A109-K112 WeakPolarHBondContact O-CB 3.46Å; A109-K112 PolarHBondContact O-N 2.89Å; D110-K112 VanDerWaalsContact C-N 3.3Å; D110-K112 PolarHBondContact O-N 3.01Å; K112-L115 PolarHBondContact O-N 3.1Å; K112-E116 WeakPolarHBondContact O-CB 3.38Å; K112-E116 PolarHBondContact O-N 2.84Å
113K91.6Very high85.8Confident66 Ų6668.6 Ų68.629%0.28734%0.336SS..Hα-helixtrans-68.4-38.3179.7-17060.9178.5178.60112.6W75 A109 D110 R111 E116 I117W75-K113 HydrophobicContact CD2-CB 4.44Å; W75-K113 HydrophobicContact CD2-CG 3.63Å; W75-K113 HydrophobicContact CE3-CB 4.38Å; W75-K113 HydrophobicContact CE3-CG 3.7Å; W75-K113 HydrophobicContact CG-CG 4.22Å; W75-K113 HydrophobicContact CH2-CB 3.83Å; W75-K113 HydrophobicContact CH2-CG 4.04Å; W75-K113 HydrophobicContact CZ2-CB 3.92Å; W75-K113 HydrophobicContact CZ2-CG 4Å; W75-K113 HydrophobicContact CZ3-CB 4.07Å; W75-K113 HydrophobicContact CZ3-CG 3.89Å; A109-K113 WeakPolarHBondContact O-CB 3.17Å; A109-K113 PolarHBondContact O-N 3.25Å; D110-K113 CarbonylContact O-C 3.5Å; D110-K113 PolarHBondContact O-N 3.01Å; R111-K113 VanDerWaalsContact C-N 3.29Å; R111-K113 PolarHBondContact O-N 2.86Å; K113-E116 WeakPolarHBondContact CD-OE2 3.31Å; K113-E116 VanDerWaalsContact NZ-CD 3.32Å; K113-E116 IonicContact NZ-OE1 3.65Å; K113-E116 PolarHBondContact NZ-OE1 2.81Å; K113-E116 IonicContact NZ-OE2 2.69Å; K113-E116 PolarHBondContact NZ-OE2 2.94Å; K113-E116 PolarHBondContact O-N 3.18Å; K113-I117 HydrophobicContact CG-CD1 4.18Å; K113-I117 WeakPolarHBondContact O-CG1 3.35Å; K113-I117 PolarHBondContact O-N 3.33Å
114M92.2Very high86.5Confident8 Ų867.6 Ų67.64%0.03933%0.33CS..Hα-helixtrans-57.7-49.2172.2-66.2179.65900110.8I72 W75 W82 I100 D110 R111 I117 L118 L129I72-M114 HydrophobicContact CD1-CG 4.31Å; I72-M114 HydrophobicContact CD1-SD 4.41Å; W75-M114 HydrophobicContact CH2-CG 3.76Å; W75-M114 HydrophobicContact CZ3-CG 3.74Å; W82-M114 HydrophobicContact CH2-CB 4.15Å; W82-M114 HydrophobicContact CH2-CE 4.24Å; W82-M114 HydrophobicContact CH2-CG 3.97Å; W82-M114 HydrophobicContact CZ2-CE 4.4Å; I100-M114 HydrophobicContact CD1-CE 3.88Å; I100-M114 HydrophobicContact CG1-CE 4.18Å; I100-M114 HydrophobicContact CG2-CE 4.05Å; D110-M114 WeakPolarHBondContact O-CG 3.34Å; D110-M114 PolarHBondContact O-N 3.24Å; R111-M114 PolarHBondContact O-N 2.96Å; M114-I117 PolarHBondContact O-N 2.92Å; M114-L118 WeakPolarHBondContact O-CB 2.98Å; M114-L118 VanDerWaalsContact O-CG 3.29Å; M114-L118 WeakPolarHBondContact O-CG 3.48Å; M114-L118 PolarHBondContact O-N 2.95Å; M114-L129 HydrophobicContact CE-CD2 4.29Å
115L93.3Very high87.9Confident17 Ų1767 Ų679%0.08933%0.325CS..Hα-helixtrans-65.1-41.2179.4-63.6175.5000112R111 K112 I117 L118 F119 V127 L129 M355 Y360R111-L115 HydrophobicContact CG-CD1 4.41Å; R111-L115 WeakPolarHBondContact O-CG 3.43Å; R111-L115 PolarHBondContact O-N 3.3Å; R111-L115 VanDerWaalsContact O-N 3.08Å; K112-L115 PolarHBondContact O-N 3.1Å; L115-I117 PolarHBondContact O-N 3.43Å; L115-L118 PolarHBondContact O-N 3.11Å; L115-F119 HydrophobicContact CB-CD2 4.29Å; L115-F119 HydrophobicContact CD2-CD2 4.49Å; L115-F119 HydrophobicContact CD2-CE2 4Å; L115-F119 WeakPolarHBondContact O-CB 3.45Å; L115-F119 WeakPolarHBondContact O-CD2 3.49Å; L115-F119 PolarHBondContact O-N 3.23Å; L115-V127 HydrophobicContact CD2-CG1 4.49Å; L115-L129 HydrophobicContact CD2-CD1 4.35Å; L115-L129 HydrophobicContact CD2-CD2 4.44Å; L115-M355 HydrophobicContact CD1-CE 4.29Å; L115-M355 HydrophobicContact CD1-SD 4Å; L115-M355 HydrophobicContact CD2-SD 4.25Å; L115-Y360 HydrophobicContact CB-CD2 4.14Å; L115-Y360 HydrophobicContact CB-CE2 3.67Å
116E94.6Very high89.9Confident56 Ų5662.6 Ų62.626%0.26231%0.305SS..Hα-helixtrans-55.7-50173.4-174.4-164.8136.600110.9K112 K113 E120 Y360K112-E116 WeakPolarHBondContact O-CB 3.38Å; K112-E116 PolarHBondContact O-N 2.84Å; K113-E116 WeakPolarHBondContact CD-OE2 3.31Å; K113-E116 VanDerWaalsContact NZ-CD 3.32Å; K113-E116 IonicContact NZ-OE1 3.65Å; K113-E116 PolarHBondContact NZ-OE1 2.81Å; K113-E116 IonicContact NZ-OE2 2.69Å; K113-E116 PolarHBondContact NZ-OE2 2.94Å; K113-E116 PolarHBondContact O-N 3.18Å; E116-E120 WeakPolarHBondContact O-CA 3.49Å; E116-E120 WeakPolarHBondContact O-CB 3.37Å; E116-E120 PolarHBondContact O-N 2.84Å; E116-Y360 WeakPolarHBondContact CA-OH 3.43Å
117I95.4Very high91.5Very high2 Ų251.4 Ų51.41%0.0126%0.263CS..Iπ-helixtrans-62.9-48.3179-67.8167.2000110.9W75 Q79 W82 K113 M114 L115 L121 L122W75-I117 HydrophobicContact CB-CD1 4.48Å; W75-I117 HydrophobicContact CD2-CD1 4.37Å; W75-I117 HydrophobicContact CE3-CD1 3.49Å; W75-I117 VanDerWaalsContact CE3-CD1 3.49Å; W75-I117 HydrophobicContact CZ3-CD1 4.11Å; Q79-I117 HydrophobicContact CB-CG2 3.98Å; Q79-I117 HydrophobicContact CG-CG2 3.88Å; W82-I117 HydrophobicContact CE3-CG2 3.77Å; W82-I117 HydrophobicContact CZ3-CB 4.09Å; W82-I117 HydrophobicContact CZ3-CG2 3.81Å; K113-I117 HydrophobicContact CG-CD1 4.18Å; K113-I117 WeakPolarHBondContact O-CG1 3.35Å; K113-I117 PolarHBondContact O-N 3.33Å; M114-I117 PolarHBondContact O-N 2.92Å; L115-I117 PolarHBondContact O-N 3.43Å; I117-L121 HydrophobicContact CB-CD1 4.45Å; I117-L121 HydrophobicContact CG1-CD1 4.07Å; I117-L121 HydrophobicContact CG2-CD1 4.46Å; I117-L121 WeakPolarHBondContact O-CA 3.41Å; I117-L121 WeakPolarHBondContact O-CB 3.17Å; I117-L121 PolarHBondContact O-N 2.81Å; I117-L121 VanDerWaalsContact O-N 3.12Å; I117-L122 HydrophobicContact CG2-CD1 4.01Å; I117-L122 HydrophobicContact CG2-CG 4.21Å; I117-L122 WeakPolarHBondContact O-CG 3.39Å; I117-L122 PolarHBondContact O-N 3.09Å
118L95.6Very high92.8Very high0 Ų045.9 Ų45.90%024%0.237CC..Iπ-helixtrans-63.6-49.1-176.1-73.4165.7000112.1W82 I100 M114 L115 L122 H123 V124 V127W82-L118 HydrophobicContact CE3-CD2 3.95Å; W82-L118 HydrophobicContact CE3-CG 4.17Å; W82-L118 HydrophobicContact CZ3-CD1 4.45Å; W82-L118 HydrophobicContact CZ3-CD2 4.26Å; W82-L118 HydrophobicContact CZ3-CG 3.98Å; I100-L118 HydrophobicContact CG2-CD1 4.12Å; M114-L118 WeakPolarHBondContact O-CB 2.98Å; M114-L118 VanDerWaalsContact O-CG 3.29Å; M114-L118 WeakPolarHBondContact O-CG 3.48Å; M114-L118 PolarHBondContact O-N 2.95Å; L115-L118 PolarHBondContact O-N 3.11Å; L118-L122 HydrophobicContact CD2-CD1 4.25Å; L118-L122 CarbonylContact O-C 3.49Å; L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-H123 PolarHBondContact O-N 3.34Å; L118-V124 HydrophobicContact CB-CG2 3.93Å; L118-V124 HydrophobicContact CD2-CG1 4.39Å; L118-V124 WeakPolarHBondContact O-CG2 3.48Å; L118-V124 PolarHBondContact O-N 2.9Å; L118-V124 VanDerWaalsContact O-N 3.11Å; L118-V127 HydrophobicContact CB-CG2 4.09Å; L118-V127 HydrophobicContact CD1-CG1 3.97Å; L118-V127 HydrophobicContact CD1-CG2 4.03Å
119F96.6Very high93.4Very high1 Ų142.4 Ų42.40%0.00421%0.212CC..Iπ-helixtrans-83.9-41.4-176.3-71.5-60.1000113.8L115 H123 V124 V127 M355 R357 Y360L115-F119 HydrophobicContact CB-CD2 4.29Å; L115-F119 HydrophobicContact CD2-CD2 4.49Å; L115-F119 HydrophobicContact CD2-CE2 4Å; L115-F119 WeakPolarHBondContact O-CB 3.45Å; L115-F119 WeakPolarHBondContact O-CD2 3.49Å; L115-F119 PolarHBondContact O-N 3.23Å; F119-H123 WeakPolarHBondContact O-CA 3.38Å; F119-H123 PolarHBondContact O-ND1 2.88Å; F119-V124 HydrophobicContact CD1-CG2 3.86Å; F119-V124 VanDerWaalsContact CD1-O 3.31Å; F119-V124 WeakPolarHBondContact CD1-O 3.33Å; F119-V124 HydrophobicContact CE1-CG2 3.99Å; F119-V127 HydrophobicContact CE1-CG2 4.06Å; F119-V127 HydrophobicContact CE2-CB 4.49Å; F119-V127 HydrophobicContact CE2-CG2 4.23Å; F119-V127 HydrophobicContact CZ-CB 4.05Å; F119-V127 HydrophobicContact CZ-CG2 3.79Å; F119-M355 HydrophobicContact CE2-CG 4.17Å; F119-M355 HydrophobicContact CE2-SD 3.95Å; F119-M355 HydrophobicContact CZ-CB 4.41Å; F119-M355 HydrophobicContact CZ-CG 4.13Å; F119-M355 WeakPolarHBondContact CZ-O 3.23Å; F119-R357 HydrophobicContact CD1-CB 3.74Å; F119-R357 HydrophobicContact CD1-CG 3.9Å; F119-R357 HydrophobicContact CE1-CB 3.92Å; F119-Y360 HydrophobicContact CB-CD1 3.76Å; F119-Y360 HydrophobicContact CB-CE1 3.95Å; F119-Y360 HydrophobicContact CB-CG 4.32Å; F119-Y360 AromaticContact CD2-CD1 3.75Å; F119-Y360 HydrophobicContact CD2-CD1 3.75Å; F119-Y360 AromaticContact CD2-CD2 3.65Å; F119-Y360 HydrophobicContact CD2-CD2 3.65Å; F119-Y360 HydrophobicContact CD2-CE1 4.28Å; F119-Y360 HydrophobicContact CD2-CE2 4.19Å; F119-Y360 AromaticContact CD2-CG 3.4Å; F119-Y360 HydrophobicContact CD2-CG 3.4Å; F119-Y360 HydrophobicContact CE2-CD2 4.01Å; F119-Y360 AromaticContact CE2-CG 3.86Å; F119-Y360 HydrophobicContact CE2-CG 3.86Å; F119-Y360 AromaticContact CG-CD1 3.95Å; F119-Y360 HydrophobicContact CG-CD1 3.95Å; F119-Y360 HydrophobicContact CG-CE1 4.49Å; F119-Y360 HydrophobicContact CG-CG 4.02Å
120E95.4Very high93.7Very high65 Ų6540 Ų4030%0.30419%0.192SC..Iπ-helixtrans-89.6-36.3-172.7-56.2179-145.500113E116 H123 Y360 R364E116-E120 WeakPolarHBondContact O-CA 3.49Å; E116-E120 WeakPolarHBondContact O-CB 3.37Å; E116-E120 PolarHBondContact O-N 2.84Å; E120-H123 PolarHBondContact O-CE1 3.1Å; E120-H123 PolarHBondContact O-ND1 3Å; E120-Y360 HydrophobicContact CG-CE1 4.07Å; E120-Y360 PolarHBondContact OE1-OH 2.94Å; E120-R364 IonicContact OE1-CZ 3.63Å; E120-R364 IonicContact OE1-NE 3.44Å; E120-R364 IonicContact OE1-NH1 2.56Å; E120-R364 PolarHBondContact OE1-NH1 2.88Å; E120-R364 IonicContact OE2-CZ 3Å; E120-R364 IonicContact OE2-NH1 2.91Å; E120-R364 PolarHBondContact OE2-NH1 3.02Å
121L94.8Very high93.9Very high81 Ų8138.9 Ų38.942%0.42419%0.186SC..Iπ-helixtrans-97.7-40.6-178.4-54-178.8000112.3Q79 I117Q79-L121 HydrophobicContact CG-CD1 4.47Å; I117-L121 HydrophobicContact CB-CD1 4.45Å; I117-L121 HydrophobicContact CG1-CD1 4.07Å; I117-L121 HydrophobicContact CG2-CD1 4.46Å; I117-L121 WeakPolarHBondContact O-CA 3.41Å; I117-L121 WeakPolarHBondContact O-CB 3.17Å; I117-L121 PolarHBondContact O-N 2.81Å; I117-L121 VanDerWaalsContact O-N 3.12Å
122L95.1Very high94.2Very high8 Ų833.5 Ų33.54%0.04217%0.166CC..SBendtrans-97.6-10.2-176.3-57.2179.3000113.4W82 L86 I117 L118 V124W82-L122 HydrophobicContact CB-CD1 3.64Å; W82-L122 HydrophobicContact CE3-CD1 4.1Å; L86-L122 HydrophobicContact CD1-CB 3.92Å; L86-L122 HydrophobicContact CD1-CD1 3.94Å; L86-L122 HydrophobicContact CD1-CG 4.41Å; I117-L122 HydrophobicContact CG2-CD1 4.01Å; I117-L122 HydrophobicContact CG2-CG 4.21Å; I117-L122 WeakPolarHBondContact O-CG 3.39Å; I117-L122 PolarHBondContact O-N 3.09Å; L118-L122 HydrophobicContact CD2-CD1 4.25Å; L118-L122 CarbonylContact O-C 3.49Å; L118-L122 WeakPolarHBondContact O-CB 3.43Å; L122-V124 VanDerWaalsContact C-N 3.26Å; L122-V124 HydrophobicContact CB-CG1 4.32Å; L122-V124 PolarHBondContact O-N 3.3Å
123H94.8Very high94.5Very high94 Ų9427.3 Ų27.344%0.43514%0.14SC..  trans54.836.7174.5-57.6-44.7000114.4L118 F119 E120 R357L118-H123 PolarHBondContact O-N 3.34Å; F119-H123 WeakPolarHBondContact O-CA 3.38Å; F119-H123 PolarHBondContact O-ND1 2.88Å; E120-H123 PolarHBondContact O-CE1 3.1Å; E120-H123 PolarHBondContact O-ND1 3Å; H123-R357 PolarHBondContact ND1-NH2 2.78Å; H123-R357 VanDerWaalsContact ND1-NH2 3.11Å
124V95.4Very high94.6Very high0 Ų025.8 Ų25.80%013%0.134CC..  trans-65.8144.1174.5-53.90000110.3L86 V95 V98 L118 F119 L122 V127L86-V124 HydrophobicContact CD1-CG1 3.85Å; V95-V124 HydrophobicContact CG1-CB 4.41Å; V95-V124 HydrophobicContact CG1-CG1 3.91Å; V98-V124 HydrophobicContact CG2-CB 4.27Å; V98-V124 HydrophobicContact CG2-CG1 3.73Å; L118-V124 HydrophobicContact CB-CG2 3.93Å; L118-V124 HydrophobicContact CD2-CG1 4.39Å; L118-V124 WeakPolarHBondContact O-CG2 3.48Å; L118-V124 PolarHBondContact O-N 2.9Å; L118-V124 VanDerWaalsContact O-N 3.11Å; F119-V124 HydrophobicContact CD1-CG2 3.86Å; F119-V124 VanDerWaalsContact CD1-O 3.31Å; F119-V124 WeakPolarHBondContact CD1-O 3.33Å; F119-V124 HydrophobicContact CE1-CG2 3.99Å; L122-V124 VanDerWaalsContact C-N 3.26Å; L122-V124 HydrophobicContact CB-CG1 4.32Å; L122-V124 PolarHBondContact O-N 3.3Å; V124-V127 HydrophobicContact CG2-CG2 3.34Å
125P95.2Very high94.8Very high52 Ų5225.4 Ų25.434%0.33813%0.132SC..SBendtrans-74.9-38.8-178.227.9-34.3000112.5V95 P96 P97 R357V95-P125 VanDerWaalsContact O-CD 3.25Å; V95-P125 WeakPolarHBondContact O-CD 3.4Å; V95-P125 WeakPolarHBondContact O-CG 3.45Å; P96-P125 WeakPolarHBondContact O-CD 3.44Å; P97-P125 HydrophobicContact CG-CG 3.99Å; P125-R357 PolarHBondContact O-N 3.19Å
126S95.3Very high94.9Very high26 Ų2624.7 Ų24.718%0.18213%0.128CC..EExtended strand (participates in β ladder)trans-152.4153.817760.70000111.4P97 V98 M355P97-S126 WeakPolarHBondContact CB-OG 3.39Å; V98-S126 PolarHBondContact N-O 3.08Å; S126-M355 CarbonylContact C-O 3.56Å; S126-M355 WeakPolarHBondContact CA-O 3.46Å; S126-M355 VanDerWaalsContact CB-O 3.3Å; S126-M355 WeakPolarHBondContact CB-O 3.5Å
127V95.4Very high94.9Very high2 Ų222 Ų221%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-130.9138.7-177.51780000110.5V98 I100 L115 L118 F119 V124 L129 M355V98-V127 CarbonylContact O-C 3.48Å; V98-V127 VanDerWaalsContact O-CA 3.25Å; V98-V127 WeakPolarHBondContact O-CA 3.46Å; I100-V127 HydrophobicContact CG2-CG1 4.09Å; L115-V127 HydrophobicContact CD2-CG1 4.49Å; L118-V127 HydrophobicContact CB-CG2 4.09Å; L118-V127 HydrophobicContact CD1-CG1 3.97Å; L118-V127 HydrophobicContact CD1-CG2 4.03Å; F119-V127 HydrophobicContact CE1-CG2 4.06Å; F119-V127 HydrophobicContact CE2-CB 4.49Å; F119-V127 HydrophobicContact CE2-CG2 4.23Å; F119-V127 HydrophobicContact CZ-CB 4.05Å; F119-V127 HydrophobicContact CZ-CG2 3.79Å; V124-V127 HydrophobicContact CG2-CG2 3.34Å; V127-L129 HydrophobicContact CG1-CD2 3.72Å; V127-L129 HydrophobicContact CG1-CG 4.37Å; V127-M355 PolarHBondContact N-O 3.49Å; V127-M355 PolarHBondContact O-N 3.05Å
128L94.7Very high94.8Very high4 Ų423.6 Ų23.62%0.02112%0.122CC..EExtended strand (participates in β ladder)trans-115.2122.9162.3179.169.9000109.1V98 I99 I100 V344 Y350 E353 W354V98-L128 PolarHBondContact O-N 2.97Å; I99-L128 WeakPolarHBondContact CA-O 3.49Å; I99-L128 HydrophobicContact CD1-CD2 4.04Å; I99-L128 HydrophobicContact CG1-CB 4.11Å; I99-L128 HydrophobicContact CG1-CD2 4.11Å; I99-L128 HydrophobicContact CG2-CB 4.44Å; I99-L128 HydrophobicContact CG2-CD2 4.26Å; I99-L128 HydrophobicContact CG2-CG 4.48Å; I100-L128 PolarHBondContact N-O 3.33Å; L128-V344 HydrophobicContact CD2-CG1 3.94Å; L128-Y350 HydrophobicContact CD1-CD1 4.19Å; L128-Y350 HydrophobicContact CD2-CD1 4.11Å; L128-E353 HydrophobicContact CD1-CB 3.52Å; L128-E353 WeakPolarHBondContact CD1-O 3.25Å; L128-W354 HydrophobicContact CB-CD2 3.83Å; L128-W354 HydrophobicContact CB-CE3 3.97Å; L128-W354 HydrophobicContact CB-CG 4.38Å; L128-W354 HydrophobicContact CB-CH2 4.15Å; L128-W354 HydrophobicContact CB-CZ2 4.02Å; L128-W354 HydrophobicContact CB-CZ3 4.13Å; L128-W354 HydrophobicContact CD2-CZ2 4.24Å
129L93.3Very high94.7Very high41 Ų4124.9 Ų24.922%0.21513%0.132CC..EExtended strand (participates in β ladder)trans-88.7115.4171.8-55.7-176.5000108.6I100 E102 R111 M114 L115 V127I100-L129 HydrophobicContact CG2-CD2 3.29Å; I100-L129 WeakPolarHBondContact O-CA 3.32Å; E102-L129 HydrophobicContact CG-CB 4.49Å; R111-L129 HydrophobicContact CG-CD1 3.71Å; M114-L129 HydrophobicContact CE-CD2 4.29Å; L115-L129 HydrophobicContact CD2-CD1 4.35Å; L115-L129 HydrophobicContact CD2-CD2 4.44Å; V127-L129 HydrophobicContact CG1-CD2 3.72Å; V127-L129 HydrophobicContact CG1-CG 4.37Å
130A93Very high94.5Very high3 Ų327.2 Ų27.23%0.02515%0.149CC..EExtended strand (participates in β ladder)trans-112127.8-172.700000112.1I99 I100 T101 E102 Q132 M135I99-A130 HydrophobicContact CG2-CB 3.73Å; I100-A130 PolarHBondContact O-N 2.83Å; T101-A130 CarbonylContact C-O 3.47Å; T101-A130 WeakPolarHBondContact CA-O 3.24Å; E102-A130 PolarHBondContact N-O 3.05Å; A130-Q132 PolarHBondContact O-N 3.11Å; A130-M135 HydrophobicContact CB-CE 4.21Å; A130-M135 HydrophobicContact CB-CG 3.89Å; A130-M135 HydrophobicContact CB-SD 3.92Å
131D92.8Very high94.2Very high29 Ų2927.4 Ų27.416%0.15517%0.168CC..EExtended strand (participates in β ladder)trans-67.8124175.7178.9-82.3000111.6P104 L133 Q134 M135P104-D131 VanDerWaalsContact CB-OD2 3.25Å; P104-D131 WeakPolarHBondContact CB-OD2 3.39Å; P104-D131 WeakPolarHBondContact CD-OD2 3.31Å; P104-D131 WeakPolarHBondContact CG-OD2 3.25Å; D131-L133 VanDerWaalsContact C-N 3.34Å; D131-L133 PolarHBondContact O-N 3.31Å; D131-L133 WeakPolarHBondContact OD1-CA 3.34Å; D131-L133 WeakPolarHBondContact OD1-CB 3.35Å; D131-L133 PolarHBondContact OD1-N 2.69Å; D131-Q134 HydrophobicContact CB-CB 3.84Å; D131-Q134 PolarHBondContact O-N 2.65Å; D131-Q134 PolarHBondContact OD1-N 3.04Å; D131-M135 VanDerWaalsContact O-CG 3.3Å; D131-M135 WeakPolarHBondContact O-CG 3.31Å; D131-M135 PolarHBondContact O-N 3.26Å
132Q94.5Very high94.1Very high14 Ų1425.5 Ų25.57%0.06516%0.158CC..Hα-helixtrans-58.2-40.2-175.4-74.5176.4-28.900114.2D9 T101 E102 T103 A130 S136 V337D9-Q132 PolarHBondContact OD1-NE2 3.37Å; T101-Q132 PolarHBondContact OG1-NE2 3.29Å; E102-Q132 WeakPolarHBondContact O-CG 3.41Å; E102-Q132 PolarHBondContact O-N 2.86Å; T103-Q132 PolarHBondContact OG1-OE1 3.22Å; A130-Q132 PolarHBondContact O-N 3.11Å; Q132-S136 PolarHBondContact O-N 3.39Å; Q132-S136 PolarHBondContact O-OG 3.44Å; Q132-V337 HydrophobicContact CB-CG1 4.02Å; Q132-V337 HydrophobicContact CB-CG2 4.12Å; Q132-V337 HydrophobicContact CG-CG1 3.79Å
133L95.1Very high94.1Very high4 Ų429.8 Ų29.82%0.02118%0.18CC..Hα-helixtrans-75.3-38.4-177.5-70.8167.3000110.8D131 M135 S136 L137 V147 D149 R156 Q158 F160D131-L133 VanDerWaalsContact C-N 3.34Å; D131-L133 PolarHBondContact O-N 3.31Å; D131-L133 WeakPolarHBondContact OD1-CA 3.34Å; D131-L133 WeakPolarHBondContact OD1-CB 3.35Å; D131-L133 PolarHBondContact OD1-N 2.69Å; L133-M135 VanDerWaalsContact C-N 3.34Å; L133-S136 WeakPolarHBondContact O-CB 3.39Å; L133-S136 PolarHBondContact O-N 3.03Å; L133-L137 PolarHBondContact O-N 3.49Å; L133-V147 HydrophobicContact CD2-CB 4.29Å; L133-V147 HydrophobicContact CD2-CG1 3.67Å; L133-D149 HydrophobicContact CD2-CB 3.39Å; L133-R156 HydrophobicContact CD1-CB 3.91Å; L133-R156 HydrophobicContact CD2-CB 4.29Å; L133-Q158 HydrophobicContact CD1-CB 3.66Å; L133-Q158 HydrophobicContact CD1-CG 4.36Å; L133-F160 HydrophobicContact CB-CE2 4.05Å; L133-F160 HydrophobicContact CB-CZ 3.79Å
134Q94.6Very high94.1Very high35 Ų3526.3 Ų26.316%0.16417%0.166CC..Hα-helixtrans-62.4-42.4173.1-168.3-179.546.700111.1D131 S136 L137 Y138 F160 G163 Y350D131-Q134 HydrophobicContact CB-CB 3.84Å; D131-Q134 PolarHBondContact O-N 2.65Å; D131-Q134 PolarHBondContact OD1-N 3.04Å; Q134-S136 VanDerWaalsContact C-N 3.32Å; Q134-S136 PolarHBondContact O-N 2.93Å; Q134-L137 WeakPolarHBondContact O-CB 3.46Å; Q134-L137 PolarHBondContact O-N 2.83Å; Q134-Y138 HydrophobicContact CG-CD2 4.36Å; Q134-Y138 HydrophobicContact CG-CE1 4.16Å; Q134-Y138 HydrophobicContact CG-CE2 3.67Å; Q134-Y138 PolarHBondContact NE2-OH 3.03Å; Q134-Y138 VanDerWaalsContact NE2-OH 3.09Å; Q134-Y138 PolarHBondContact O-N 3.14Å; Q134-Y138 VanDerWaalsContact O-N 3.09Å; Q134-F160 HydrophobicContact CB-CE1 3.91Å; Q134-F160 HydrophobicContact CB-CZ 4.26Å; Q134-F160 HydrophobicContact CG-CE1 4.19Å; Q134-G163 PolarHBondContact NE2-O 3.44Å; Q134-Y350 PolarHBondContact OE1-OH 3.23Å
135M95.4Very high94.2Very high0 Ų026.3 Ų26.30%017%0.166CC..Hα-helixtrans-62.5-41.9174.5-65-50.898.700111.1A130 D131 L133 L137 Y138 A139 V337 G340 A341 V344A130-M135 HydrophobicContact CB-CE 4.21Å; A130-M135 HydrophobicContact CB-CG 3.89Å; A130-M135 HydrophobicContact CB-SD 3.92Å; D131-M135 VanDerWaalsContact O-CG 3.3Å; D131-M135 WeakPolarHBondContact O-CG 3.31Å; D131-M135 PolarHBondContact O-N 3.26Å; L133-M135 VanDerWaalsContact C-N 3.34Å; M135-L137 VanDerWaalsContact C-N 3.31Å; M135-L137 PolarHBondContact O-N 3.49Å; M135-Y138 HydrophobicContact CE-CD2 3.91Å; M135-Y138 HydrophobicContact CE-CE2 3.96Å; M135-Y138 PolarHBondContact O-N 3.31Å; M135-Y138 VanDerWaalsContact O-N 3.13Å; M135-A139 PolarHBondContact O-N 3.37Å; M135-V337 VanDerWaalsContact CB-O 3.25Å; M135-V337 WeakPolarHBondContact CB-O 3.04Å; M135-G340 VanDerWaalsContact O-CA 3.25Å; M135-G340 WeakPolarHBondContact O-CA 3.34Å; M135-A341 HydrophobicContact CG-CB 4.19Å; M135-A341 HydrophobicContact SD-CB 4.18Å; M135-V344 HydrophobicContact CE-CG2 4.01Å; M135-V344 HydrophobicContact SD-CB 4.07Å; M135-V344 HydrophobicContact SD-CG1 4.49Å; M135-V344 HydrophobicContact SD-CG2 3.73Å
136S95.5Very high94.3Very high1 Ų123.9 Ų23.91%0.00715%0.15CC..Hα-helixtrans-61.5-37.5177.3-62.90000113.3Q132 L133 Q134 V337Q132-S136 PolarHBondContact O-N 3.39Å; Q132-S136 PolarHBondContact O-OG 3.44Å; L133-S136 WeakPolarHBondContact O-CB 3.39Å; L133-S136 PolarHBondContact O-N 3.03Å; Q134-S136 VanDerWaalsContact C-N 3.32Å; Q134-S136 PolarHBondContact O-N 2.93Å; S136-V337 WeakPolarHBondContact OG-CG2 3.13Å; S136-V337 PolarHBondContact OG-N 3.29Å
137L95.3Very high94.4Very high0 Ų022.6 Ų22.60%014%0.141CC..Hα-helixtrans-60.7-48.1171.8176.169.4000111.3L133 Q134 M135 A139 S140 L142 V147 F160 M296L133-L137 PolarHBondContact O-N 3.49Å; Q134-L137 WeakPolarHBondContact O-CB 3.46Å; Q134-L137 PolarHBondContact O-N 2.83Å; M135-L137 VanDerWaalsContact C-N 3.31Å; M135-L137 PolarHBondContact O-N 3.49Å; L137-A139 VanDerWaalsContact C-N 3.31Å; L137-A139 PolarHBondContact O-N 3.21Å; L137-S140 PolarHBondContact O-N 2.9Å; L137-S140 VanDerWaalsContact O-N 3.08Å; L137-S140 PolarHBondContact O-OG 2.9Å; L137-L142 HydrophobicContact CD1-CB 4.11Å; L137-L142 WeakPolarHBondContact CG-O 3.44Å; L137-V147 HydrophobicContact CB-CG2 3.76Å; L137-V147 HydrophobicContact CD1-CG2 4.21Å; L137-F160 HydrophobicContact CD2-CB 3.53Å; L137-F160 HydrophobicContact CD2-CD1 3.73Å; L137-F160 HydrophobicContact CD2-CD2 4.12Å; L137-F160 HydrophobicContact CD2-CE1 4.47Å; L137-F160 HydrophobicContact CD2-CG 3.54Å; L137-M296 HydrophobicContact CD1-CE 3.5Å; L137-M296 VanDerWaalsContact CD1-CE 3.5Å; L137-M296 HydrophobicContact CD1-SD 3.59Å; L137-M296 VanDerWaalsContact CD1-SD 3.59Å
138Y93.3Very high94.5Very high36 Ų3622.5 Ų22.514%0.14114%0.14CC..Hα-helixtrans-68.3-31.6-177.5-62.9-18.4000113.1Q134 M135 S140 G141 L143 G163 V344 Y350Q134-Y138 HydrophobicContact CG-CD2 4.36Å; Q134-Y138 HydrophobicContact CG-CE1 4.16Å; Q134-Y138 HydrophobicContact CG-CE2 3.67Å; Q134-Y138 PolarHBondContact NE2-OH 3.03Å; Q134-Y138 VanDerWaalsContact NE2-OH 3.09Å; Q134-Y138 PolarHBondContact O-N 3.14Å; Q134-Y138 VanDerWaalsContact O-N 3.09Å; M135-Y138 HydrophobicContact CE-CD2 3.91Å; M135-Y138 HydrophobicContact CE-CE2 3.96Å; M135-Y138 PolarHBondContact O-N 3.31Å; M135-Y138 VanDerWaalsContact O-N 3.13Å; Y138-S140 PolarHBondContact O-N 2.86Å; Y138-G141 PolarHBondContact O-N 3.5Å; Y138-L143 HydrophobicContact CD1-CD2 3.85Å; Y138-L143 HydrophobicContact CE1-CD2 3.49Å; Y138-L143 VanDerWaalsContact CE1-CD2 3.49Å; Y138-G163 PolarHBondContact OH-O 3.11Å; Y138-V344 HydrophobicContact CD2-CG2 3.54Å; Y138-V344 HydrophobicContact CE2-CG2 4.03Å; Y138-Y350 HydrophobicContact CE2-CE2 4.18Å; Y138-Y350 VanDerWaalsContact CE2-OH 3.31Å; Y138-Y350 WeakPolarHBondContact CE2-OH 3.3Å; Y138-Y350 PolarHBondContact OH-OH 3.32Å
139A93.6Very high94.6Very high26 Ų2623 Ų2322%0.21514%0.143CC..Hα-helixtrans-60.3-24.3172.500000113.1M135 L137 G141 S336 L339M135-A139 PolarHBondContact O-N 3.37Å; L137-A139 VanDerWaalsContact C-N 3.31Å; L137-A139 PolarHBondContact O-N 3.21Å; A139-G141 VanDerWaalsContact C-N 3.33Å; A139-S336 WeakPolarHBondContact CB-O 3.25Å; A139-L339 HydrophobicContact CB-CB 4.11Å; A139-L339 HydrophobicContact CB-CD2 4.17Å; A139-L339 HydrophobicContact CB-CG 4.13Å
140S91.2Very high94.7Very high51 Ų5121.1 Ų21.136%0.35713%0.133SC..THydrogen-bonded Turntrans-86.8-2.4174.987.70000113.5L137 Y138 L142 M296L137-S140 PolarHBondContact O-N 2.9Å; L137-S140 VanDerWaalsContact O-N 3.08Å; L137-S140 PolarHBondContact O-OG 2.9Å; Y138-S140 PolarHBondContact O-N 2.86Å; S140-L142 PolarHBondContact O-N 2.93Å; S140-L142 WeakPolarHBondContact OG-CB 3.42Å; S140-L142 WeakPolarHBondContact OG-CG 3.37Å; S140-L142 PolarHBondContact OG-N 3Å; S140-M296 PolarHBondContact OG-SD 3.28Å
141G90.9Very high94.8Very high68 Ų6821.9 Ų21.970%0.70114%0.141SC*.THydrogen-bonded Turntrans7015.9-17500000114.4Y138 A139Y138-G141 PolarHBondContact O-N 3.5Å; A139-G141 VanDerWaalsContact C-N 3.33Å
142L92.3Very high94.9Very high41 Ų4123.7 Ų23.722%0.21515%0.146CC..  trans-107.8160179.2-61.9175.7000110.9L137 S140 H294 M296L137-L142 HydrophobicContact CD1-CB 4.11Å; L137-L142 WeakPolarHBondContact CG-O 3.44Å; S140-L142 PolarHBondContact O-N 2.93Å; S140-L142 WeakPolarHBondContact OG-CB 3.42Å; S140-L142 WeakPolarHBondContact OG-CG 3.37Å; S140-L142 PolarHBondContact OG-N 3Å; L142-H294 HydrophobicContact CD1-CB 4.03Å; L142-M296 HydrophobicContact CB-SD 4.46Å; L142-M296 HydrophobicContact CD1-SD 4.03Å
143L94.3Very high94.8Very high98 Ų9823.1 Ų23.151%0.51314%0.144SC..SBendtrans-121.5-11.8173.1-64.7179.7000112.4Y138 Q162 G163Y138-L143 HydrophobicContact CD1-CD2 3.85Å; Y138-L143 HydrophobicContact CE1-CD2 3.49Å; Y138-L143 VanDerWaalsContact CE1-CD2 3.49Å; L143-Q162 PolarHBondContact O-N 3.3Å; L143-Q162 VanDerWaalsContact O-N 3.13Å; L143-G163 PolarHBondContact O-N 3.29Å
144T95.9Very high94.8Very high22 Ų2223.8 Ų23.814%0.13515%0.148CC..SBendtrans-134.5135.1178.9-57.60000109.3F160 Q162 L290 L291T144-F160 WeakPolarHBondContact CA-O 3.48Å; T144-F160 WeakPolarHBondContact CG2-O 3.09Å; T144-Q162 PolarHBondContact OG1-N 3.12Å; T144-L290 HydrophobicContact CG2-CD2 3.67Å; T144-L290 HydrophobicContact CG2-CG 3.66Å; T144-L291 HydrophobicContact CG2-CD2 4.06Å
145G96.4Very high94.8Very high0 Ų022.1 Ų22.10%014%0.14CC..EExtended strand (participates in β ladder)trans154.3-172.6-177.900000111.8P159 F160 H294G145-P159 CarbonylContact O-C 3.55Å; G145-P159 WeakPolarHBondContact O-CA 3.38Å; G145-F160 PolarHBondContact N-O 3.44Å; G145-F160 PolarHBondContact O-N 3.2Å; G145-H294 CarbonylContact C-O 3.04Å; G145-H294 WeakPolarHBondContact CA-O 3.12Å
146V97.6Very high94.8Very high0 Ų022.6 Ų22.60%014%0.142CC..EExtended strand (participates in β ladder)trans-113.3120.6175.5-175.70000109.1V148 V157 P159 I276 V280 L291 H294 V295 M296V146-V148 HydrophobicContact CG1-CG2 4.41Å; V146-V157 HydrophobicContact CG1-CG1 3.51Å; V146-P159 HydrophobicContact CG2-CB 4.34Å; V146-P159 HydrophobicContact CG2-CG 4.4Å; V146-I276 HydrophobicContact CG1-CG2 4.36Å; V146-V280 HydrophobicContact CG2-CG2 3.71Å; V146-L291 HydrophobicContact CG2-CB 4.02Å; V146-H294 PolarHBondContact N-O 3.01Å; V146-V295 HydrophobicContact CB-CG2 4.45Å; V146-V295 CarbonylContact O-C 3.59Å; V146-V295 WeakPolarHBondContact O-CA 3.34Å; V146-M296 PolarHBondContact O-N 2.91Å
147V97.6Very high94.9Very high0 Ų022.6 Ų22.60%014%0.142CC..EExtended strand (participates in β ladder)trans-91.8130.3172.9-178.70000109.1L133 L137 V157 Q158 F160 M296L133-V147 HydrophobicContact CD2-CB 4.29Å; L133-V147 HydrophobicContact CD2-CG1 3.67Å; L137-V147 HydrophobicContact CB-CG2 3.76Å; L137-V147 HydrophobicContact CD1-CG2 4.21Å; V147-V157 CarbonylContact O-C 3.48Å; V147-V157 WeakPolarHBondContact O-CA 3.05Å; V147-Q158 PolarHBondContact N-O 2.77Å; V147-Q158 PolarHBondContact O-N 3.34Å; V147-F160 HydrophobicContact CB-CD2 4.48Å; V147-F160 HydrophobicContact CB-CE2 4.09Å; V147-F160 HydrophobicContact CG2-CD2 3.91Å; V147-F160 HydrophobicContact CG2-CE2 3.8Å; V147-M296 HydrophobicContact CG2-CE 4Å; V147-M296 HydrophobicContact CG2-SD 4.29Å
148V97.2Very high95Very high0 Ų023.6 Ų23.60%015%0.146CC..EExtended strand (participates in β ladder)trans-117.7100.6175.2-177.30000107.3V146 R156 V157 I272 I276 V295 M296 C298V146-V148 HydrophobicContact CG1-CG2 4.41Å; V148-R156 CarbonylContact C-O 3.5Å; V148-R156 WeakPolarHBondContact CA-O 3.18Å; V148-V157 HydrophobicContact CG1-CG2 4.33Å; V148-V157 HydrophobicContact CG2-CG1 4.37Å; V148-V157 HydrophobicContact CG2-CG2 4.36Å; V148-I272 HydrophobicContact CG1-CG2 3.66Å; V148-I276 HydrophobicContact CG1-CD1 4.43Å; V148-I276 HydrophobicContact CG2-CD1 3.46Å; V148-I276 VanDerWaalsContact CG2-CD1 3.46Å; V148-I276 HydrophobicContact CG2-CG1 3.61Å; V148-V295 HydrophobicContact CG2-CG1 3.95Å; V148-M296 PolarHBondContact N-O 3.23Å; V148-C298 PolarHBondContact O-N 3.35Å
149D96.2Very high95.2Very high15 Ų1521.9 Ų21.98%0.0814%0.14CC..EExtended strand (participates in β ladder)trans-102107.5178.7176.328.6000109.7L133 T155 R156 C298L133-D149 HydrophobicContact CD2-CB 3.39Å; D149-T155 CarbonylContact O-C 3.56Å; D149-T155 VanDerWaalsContact O-CA 3.27Å; D149-T155 WeakPolarHBondContact O-CA 3.4Å; D149-R156 PolarHBondContact N-O 2.98Å; D149-R156 PolarHBondContact O-N 2.91Å; D149-R156 IonicContact OD2-CZ 2.78Å; D149-R156 IonicContact OD2-NE 3.17Å; D149-R156 IonicContact OD2-NH2 3.92Å; D149-R156 PolarHBondContact OD2-NH2 3.3Å; D149-C298 WeakPolarHBondContact CA-O 3.32Å
150S96.8Very high95.4Very high0 Ų020.7 Ų20.70%013%0.129CC..EExtended strand (participates in β ladder)trans-106.694.4174-168.20000110.2T155 C298 G299 G300 N301S150-T155 PolarHBondContact OG-OG1 3.3Å; S150-C298 PolarHBondContact N-O 3.06Å; S150-G299 CarbonylContact O-C 3.42Å; S150-G300 PolarHBondContact O-N 3.09Å; S150-N301 PolarHBondContact O-N 3.03Å; S150-N301 VanDerWaalsContact O-N 3.08Å; S150-N301 WeakPolarHBondContact OG-CB 3.42Å; S150-N301 PolarHBondContact OG-ND2 2.89Å
151G94.9Very high95.7Very high19 Ų1920.5 Ų20.520%0.19612%0.123CC..  trans-93.1-155.6-177.600000113.4L154 A176 G177 N301G151-L154 PolarHBondContact N-O 3.35Å; G151-A176 WeakPolarHBondContact O-CB 3.23Å; G151-G177 PolarHBondContact O-N 3.39Å; G151-N301 PolarHBondContact O-ND2 3.19Å
152Y94.4Very high95.9Very high68 Ų6824 Ų2427%0.26712%0.121SC..SBendtrans-80-46.1178.7-173.7-108.5000112.7A176 G177 Q178Y152-A176 WeakPolarHBondContact O-CB 3.09Å; Y152-G177 CarbonylContact O-C 3.59Å; Y152-G177 PolarHBondContact O-N 3.41Å; Y152-Q178 HydrophobicContact CD1-CB 4.13Å; Y152-Q178 HydrophobicContact CE1-CB 3.82Å; Y152-Q178 HydrophobicContact CE1-CG 4.17Å; Y152-Q178 HydrophobicContact CE2-CB 4.34Å; Y152-Q178 WeakPolarHBondContact O-CB 2.98Å; Y152-Q178 PolarHBondContact O-N 2.98Å
153G93.2Very high95.8Very high2 Ų222.4 Ų22.42%0.02111%0.114CC..SBendtrans-97.7-26-174.800000115.5R69 A176R69-G153 WeakPolarHBondContact CG-O 3.44Å; R69-G153 PolarHBondContact NH1-O 3.44Å; G153-A176 VanDerWaalsContact C-CB 3.43Å
154L93.4Very high95.8Very high17 Ų1726.9 Ų26.99%0.08912%0.124CC..  trans-141.1154-176.2-70174.8000111R69 G151 T172 E174 A176R69-L154 HydrophobicContact CB-CD2 3.95Å; R69-L154 HydrophobicContact CB-CG 3.98Å; R69-L154 WeakPolarHBondContact O-CD1 3.38Å; G151-L154 PolarHBondContact N-O 3.35Å; L154-T172 HydrophobicContact CD1-CG2 4.2Å; L154-T172 HydrophobicContact CD2-CG2 3.91Å; L154-T172 HydrophobicContact CG-CG2 4.5Å; L154-E174 HydrophobicContact CD2-CG 4.34Å; L154-A176 VanDerWaalsContact N-CB 3.32Å
155T96.1Very high95.7Very high0 Ų028.3 Ų28.30%013%0.134CC..EExtended strand (participates in β ladder)trans-113.7127.9160.9-58.90000109.2D149 S150 L173 F175 I272D149-T155 CarbonylContact O-C 3.56Å; D149-T155 VanDerWaalsContact O-CA 3.27Å; D149-T155 WeakPolarHBondContact O-CA 3.4Å; S150-T155 PolarHBondContact OG-OG1 3.3Å; T155-L173 HydrophobicContact CG2-CD1 4.28Å; T155-L173 PolarHBondContact N-O 3.23Å; T155-L173 VanDerWaalsContact N-O 3.12Å; T155-L173 PolarHBondContact O-N 3.28Å; T155-F175 PolarHBondContact OG1-O 3.2Å; T155-F175 VanDerWaalsContact OG1-O 3.05Å; T155-I272 HydrophobicContact CG2-CD1 3.74Å; T155-I272 HydrophobicContact CG2-CG1 3.94Å
156R95.8Very high95.7Very high11 Ų1130.4 Ų30.44%0.04215%0.145CC..EExtended strand (participates in β ladder)trans-123.6144.1-179.3-66.9178.4-62.2175.4-6.3111.4T103 P104 L133 V148 D149 K171 T172T103-R156 PolarHBondContact OG1-NH1 2.91Å; P104-R156 VanDerWaalsContact CD-NH1 3.32Å; L133-R156 HydrophobicContact CD1-CB 3.91Å; L133-R156 HydrophobicContact CD2-CB 4.29Å; V148-R156 CarbonylContact C-O 3.5Å; V148-R156 WeakPolarHBondContact CA-O 3.18Å; D149-R156 PolarHBondContact N-O 2.98Å; D149-R156 PolarHBondContact O-N 2.91Å; D149-R156 IonicContact OD2-CZ 2.78Å; D149-R156 IonicContact OD2-NE 3.17Å; D149-R156 IonicContact OD2-NH2 3.92Å; D149-R156 PolarHBondContact OD2-NH2 3.3Å; R156-K171 WeakPolarHBondContact CA-O 3.32Å; R156-T172 HydrophobicContact CG-CG2 4.15Å
157V97.3Very high95.4Very high1 Ų135.2 Ų35.21%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-124.5123.4174.2-176.70000108.2V146 V147 V148 G170 K171 A275 I276V146-V157 HydrophobicContact CG1-CG1 3.51Å; V147-V157 CarbonylContact O-C 3.48Å; V147-V157 WeakPolarHBondContact O-CA 3.05Å; V148-V157 HydrophobicContact CG1-CG2 4.33Å; V148-V157 HydrophobicContact CG2-CG1 4.37Å; V148-V157 HydrophobicContact CG2-CG2 4.36Å; V157-G170 CarbonylContact O-C 3.39Å; V157-G170 WeakPolarHBondContact O-CA 3.19Å; V157-K171 HydrophobicContact CB-CB 4.27Å; V157-K171 PolarHBondContact N-O 3.28Å; V157-K171 PolarHBondContact O-N 2.94Å; V157-A275 HydrophobicContact CG2-CB 4.19Å; V157-I276 HydrophobicContact CG1-CB 4.47Å; V157-I276 HydrophobicContact CG1-CG1 3.89Å; V157-I276 HydrophobicContact CG2-CG1 4.07Å
158Q97.1Very high95.1Very high21 Ų2140 Ų4010%0.09822%0.216CC..EExtended strand (participates in β ladder)trans-139.4118.5-179.2-177.859.568.100110.6L133 V147 F160 P165 L166L133-Q158 HydrophobicContact CD1-CB 3.66Å; L133-Q158 HydrophobicContact CD1-CG 4.36Å; V147-Q158 PolarHBondContact N-O 2.77Å; V147-Q158 PolarHBondContact O-N 3.34Å; Q158-F160 HydrophobicContact CB-CD2 4.49Å; Q158-F160 HydrophobicContact CB-CE2 3.76Å; Q158-F160 HydrophobicContact CB-CZ 4.31Å; Q158-F160 HydrophobicContact CG-CD2 4.1Å; Q158-F160 HydrophobicContact CG-CE1 4.46Å; Q158-F160 HydrophobicContact CG-CE2 3.45Å; Q158-F160 VanDerWaalsContact CG-CE2 3.45Å; Q158-F160 HydrophobicContact CG-CZ 3.65Å; Q158-F160 VanDerWaalsContact O-CD2 3.23Å; Q158-F160 WeakPolarHBondContact O-CD2 3.48Å; Q158-F160 WeakPolarHBondContact O-CE2 3.48Å; Q158-P165 HydrophobicContact CG-CB 4.11Å; Q158-L166 VanDerWaalsContact NE2-C 3.28Å; Q158-L166 PolarHBondContact NE2-O 2.67Å
159P97.7Very high95.1Very high0 Ų040.4 Ų40.40%022%0.218CC..EExtended strand (participates in β ladder)trans-73.9143.3168.1-19.834.8000110.9G145 V146 L166 S279 L291G145-P159 CarbonylContact O-C 3.55Å; G145-P159 WeakPolarHBondContact O-CA 3.38Å; V146-P159 HydrophobicContact CG2-CB 4.34Å; V146-P159 HydrophobicContact CG2-CG 4.4Å; P159-L166 HydrophobicContact CB-CB 4.37Å; P159-L166 HydrophobicContact CB-CD1 4.1Å; P159-L166 PolarHBondContact O-N 2.78Å; P159-S279 WeakPolarHBondContact CD-OG 2.99Å; P159-S279 WeakPolarHBondContact CG-OG 3.24Å; P159-L291 HydrophobicContact CB-CD1 4.18Å; P159-L291 HydrophobicContact CB-CD2 4.17Å
160F97.4Very high95.1Very high0 Ų041 Ų410%023%0.228CC..EExtended strand (participates in β ladder)trans-128.3142.9175.7-69.5-98.7000110.2L133 Q134 L137 T144 G145 V147 Q158 R164 P165 L291L133-F160 HydrophobicContact CB-CE2 4.05Å; L133-F160 HydrophobicContact CB-CZ 3.79Å; Q134-F160 HydrophobicContact CB-CE1 3.91Å; Q134-F160 HydrophobicContact CB-CZ 4.26Å; Q134-F160 HydrophobicContact CG-CE1 4.19Å; L137-F160 HydrophobicContact CD2-CB 3.53Å; L137-F160 HydrophobicContact CD2-CD1 3.73Å; L137-F160 HydrophobicContact CD2-CD2 4.12Å; L137-F160 HydrophobicContact CD2-CE1 4.47Å; L137-F160 HydrophobicContact CD2-CG 3.54Å; T144-F160 WeakPolarHBondContact CA-O 3.48Å; T144-F160 WeakPolarHBondContact CG2-O 3.09Å; G145-F160 PolarHBondContact N-O 3.44Å; G145-F160 PolarHBondContact O-N 3.2Å; V147-F160 HydrophobicContact CB-CD2 4.48Å; V147-F160 HydrophobicContact CB-CE2 4.09Å; V147-F160 HydrophobicContact CG2-CD2 3.91Å; V147-F160 HydrophobicContact CG2-CE2 3.8Å; Q158-F160 HydrophobicContact CB-CD2 4.49Å; Q158-F160 HydrophobicContact CB-CE2 3.76Å; Q158-F160 HydrophobicContact CB-CZ 4.31Å; Q158-F160 HydrophobicContact CG-CD2 4.1Å; Q158-F160 HydrophobicContact CG-CE1 4.46Å; Q158-F160 HydrophobicContact CG-CE2 3.45Å; Q158-F160 VanDerWaalsContact CG-CE2 3.45Å; Q158-F160 HydrophobicContact CG-CZ 3.65Å; Q158-F160 VanDerWaalsContact O-CD2 3.23Å; Q158-F160 WeakPolarHBondContact O-CD2 3.48Å; Q158-F160 WeakPolarHBondContact O-CE2 3.48Å; F160-R164 CarbonylContact C-O 3.53Å; F160-R164 VanDerWaalsContact CA-O 3.24Å; F160-R164 WeakPolarHBondContact CA-O 3.36Å; F160-P165 HydrophobicContact CD1-CB 4Å; F160-P165 HydrophobicContact CE1-CB 3.66Å; F160-P165 HydrophobicContact CE1-CG 4.3Å; F160-P165 HydrophobicContact CZ-CB 4.21Å; F160-L291 WeakPolarHBondContact O-CD2 3.3Å
161H97Very high95Very high48 Ų4844.2 Ų44.222%0.22224%0.242CC..EExtended strand (participates in β ladder)trans-131.5125.4171.2-173.455.2000109.5G163 R164 L166H161-G163 PolarHBondContact O-N 2.95Å; H161-R164 PolarHBondContact N-O 3.27Å; H161-R164 PolarHBondContact O-N 3.42Å; H161-L166 HydrophobicContact CB-CD2 4.38Å
162Q94.9Very high95Very high142 Ų14246.4 Ų46.466%0.66425%0.251SS*.THydrogen-bonded Turntrans50.542179.6-60.2179.7-12.500113.6L143 T144 R164L143-Q162 PolarHBondContact O-N 3.3Å; L143-Q162 VanDerWaalsContact O-N 3.13Å; T144-Q162 PolarHBondContact OG1-N 3.12Å; Q162-R164 VanDerWaalsContact C-N 3.27Å; Q162-R164 PolarHBondContact O-N 2.88Å
163G91.6Very high95Very high6 Ų643.6 Ų43.66%0.06224%0.241CC..THydrogen-bonded Turntrans81.40.2176.900000114.5Q134 Y138 L143 H161Q134-G163 PolarHBondContact NE2-O 3.44Å; Y138-G163 PolarHBondContact OH-O 3.11Å; L143-G163 PolarHBondContact O-N 3.29Å; H161-G163 PolarHBondContact O-N 2.95Å
164R92.6Very high94.9Very high192 Ų19248.9 Ų48.973%0.72527%0.265SS*.EExtended strand (participates in β ladder)trans-108.1135.9-179.2-61.7-176.8178.1-167.9-1.9111.1F160 H161 Q162F160-R164 CarbonylContact C-O 3.53Å; F160-R164 VanDerWaalsContact CA-O 3.24Å; F160-R164 WeakPolarHBondContact CA-O 3.36Å; H161-R164 PolarHBondContact N-O 3.27Å; H161-R164 PolarHBondContact O-N 3.42Å; Q162-R164 VanDerWaalsContact C-N 3.27Å; Q162-R164 PolarHBondContact O-N 2.88Å
165P94.6Very high94.8Very high52 Ų5248.1 Ų48.134%0.33826%0.261SS..EExtended strand (participates in β ladder)trans-67.5149.5173.828.6-33.3000110.3Q158 F160 P167Q158-P165 HydrophobicContact CG-CB 4.11Å; F160-P165 HydrophobicContact CD1-CB 4Å; F160-P165 HydrophobicContact CE1-CB 3.66Å; F160-P165 HydrophobicContact CE1-CG 4.3Å; F160-P165 HydrophobicContact CZ-CB 4.21Å; P165-P167 VanDerWaalsContact O-CD 3.24Å; P165-P167 WeakPolarHBondContact O-CD 3.48Å
166L95.6Very high94.7Very high44 Ų4448.1 Ų48.123%0.2326%0.261CS..  trans-98.786.6168-60.6-178.9000109Q158 P159 H161 A168 S169 C283 L287 L291Q158-L166 VanDerWaalsContact NE2-C 3.28Å; Q158-L166 PolarHBondContact NE2-O 2.67Å; P159-L166 HydrophobicContact CB-CB 4.37Å; P159-L166 HydrophobicContact CB-CD1 4.1Å; P159-L166 PolarHBondContact O-N 2.78Å; H161-L166 HydrophobicContact CB-CD2 4.38Å; L166-A168 VanDerWaalsContact C-N 3.35Å; L166-A168 PolarHBondContact O-N 2.79Å; L166-S169 PolarHBondContact O-N 3.08Å; L166-C283 HydrophobicContact CD1-CB 4.44Å; L166-L287 HydrophobicContact CD1-CD1 4.25Å; L166-L291 HydrophobicContact CD1-CD1 4.31Å
167P91.4Very high94.7Very high102 Ų10247.7 Ų47.766%0.66226%0.26SS*.G310 helixtrans-67.5-34.3-159.7-21.736.1000113.2P165 S169 G170P165-P167 VanDerWaalsContact O-CD 3.24Å; P165-P167 WeakPolarHBondContact O-CD 3.48Å; P167-S169 PolarHBondContact O-N 3.49Å; P167-S169 VanDerWaalsContact O-N 3.15Å; P167-G170 PolarHBondContact O-N 3.16Å; P167-G170 VanDerWaalsContact O-N 3.16Å
168A92.9Very high94.5Very high101 Ų10149.2 Ų49.284%0.83527%0.267SS*.G310 helixtrans-62.9-19.617700000113.2L166L166-A168 VanDerWaalsContact C-N 3.35Å; L166-A168 PolarHBondContact O-N 2.79Å
169S96.1Very high94.4Very high7 Ų749.2 Ų49.25%0.04927%0.268CS..G310 helixtrans-99.8-3-178.7-58.80000113.4L166 P167 S279 S282 C283L166-S169 PolarHBondContact O-N 3.08Å; P167-S169 PolarHBondContact O-N 3.49Å; P167-S169 VanDerWaalsContact O-N 3.15Å; S169-S279 WeakPolarHBondContact O-CB 3.33Å; S169-S279 PolarHBondContact O-OG 3.03Å; S169-S282 VanDerWaalsContact CA-OG 3.27Å; S169-S282 WeakPolarHBondContact CA-OG 3.42Å; S169-S282 WeakPolarHBondContact CB-OG 3.36Å; S169-S282 PolarHBondContact OG-OG 2.86Å; S169-C283 VanDerWaalsContact CB-SG 3.53Å; S169-C283 PolarHBondContact OG-SG 2.55Å
170G95.6Very high94.3Very high27 Ų2749.2 Ų49.228%0.27827%0.268SS..  trans-65.5140.117700000112.2V157 P167V157-G170 CarbonylContact O-C 3.39Å; V157-G170 WeakPolarHBondContact O-CA 3.19Å; P167-G170 PolarHBondContact O-N 3.16Å; P167-G170 VanDerWaalsContact O-N 3.16Å
171K95.7Very high94.2Very high68 Ų6850 Ų5030%0.29627%0.273SS..EExtended strand (participates in β ladder)trans-124.2136.5173.7-55-66-178.8-179.80109.5R156 V157R156-K171 WeakPolarHBondContact CA-O 3.32Å; V157-K171 HydrophobicContact CB-CB 4.27Å; V157-K171 PolarHBondContact N-O 3.28Å; V157-K171 PolarHBondContact O-N 2.94Å
172T94.5Very high94Very high65 Ų6549.2 Ų49.240%0.39928%0.276SS..EExtended strand (participates in β ladder)trans-121.8124.7172.9-60.90000108.3L154 R156L154-T172 HydrophobicContact CD1-CG2 4.2Å; L154-T172 HydrophobicContact CD2-CG2 3.91Å; L154-T172 HydrophobicContact CG-CG2 4.5Å; R156-T172 HydrophobicContact CG-CG2 4.15Å
173L94.8Very high93.9Very high10 Ų1045 Ų455%0.05225%0.254CS..EExtended strand (participates in β ladder)trans-102.6124.4174.3-50177.9000107.9T155 F175 P270 I272 A275T155-L173 HydrophobicContact CG2-CD1 4.28Å; T155-L173 PolarHBondContact N-O 3.23Å; T155-L173 VanDerWaalsContact N-O 3.12Å; T155-L173 PolarHBondContact O-N 3.28Å; L173-F175 HydrophobicContact CB-CD1 4.08Å; L173-F175 HydrophobicContact CB-CE1 3.82Å; L173-F175 HydrophobicContact CB-CZ 4.23Å; L173-F175 HydrophobicContact CD1-CE1 4.06Å; L173-F175 HydrophobicContact CD1-CZ 3.77Å; L173-F175 HydrophobicContact CD2-CE1 4.49Å; L173-F175 HydrophobicContact CG-CE1 4.34Å; L173-F175 PolarHBondContact O-N 3.38Å; L173-F175 VanDerWaalsContact O-N 3.08Å; L173-P270 HydrophobicContact CD2-CG 3.82Å; L173-I272 HydrophobicContact CD1-CG1 4.07Å; L173-A275 HydrophobicContact CD1-CB 4.01Å; L173-A275 HydrophobicContact CD2-CB 4.08Å; L173-A275 HydrophobicContact CG-CB 4.37Å
174E90.1Very high94Very high113 Ų11344.7 Ų44.753%0.52825%0.251SS..SBendtrans-82.832.5179.4-60-166.9138.300112.4R69 L154R69-E174 VanDerWaalsContact CZ-O 3.32Å; R69-E174 PolarHBondContact NH1-O 3.48Å; L154-E174 HydrophobicContact CD2-CG 4.34Å
175F91.3Very high93.9Very high0 Ų036 Ų360%022%0.219CC..  trans-134.6138.1168.566.8-93.5000111.5T155 L173 D179 F259 P262 Q267 P268 P270T155-F175 PolarHBondContact OG1-O 3.2Å; T155-F175 VanDerWaalsContact OG1-O 3.05Å; L173-F175 HydrophobicContact CB-CD1 4.08Å; L173-F175 HydrophobicContact CB-CE1 3.82Å; L173-F175 HydrophobicContact CB-CZ 4.23Å; L173-F175 HydrophobicContact CD1-CE1 4.06Å; L173-F175 HydrophobicContact CD1-CZ 3.77Å; L173-F175 HydrophobicContact CD2-CE1 4.49Å; L173-F175 HydrophobicContact CG-CE1 4.34Å; L173-F175 PolarHBondContact O-N 3.38Å; L173-F175 VanDerWaalsContact O-N 3.08Å; F175-D179 WeakPolarHBondContact CA-OD2 3.39Å; F175-D179 HydrophobicContact CB-CB 4.35Å; F175-F259 HydrophobicContact CD2-CD1 4.06Å; F175-F259 HydrophobicContact CD2-CE1 4.33Å; F175-F259 AromaticContact CE2-CD1 3.94Å; F175-F259 HydrophobicContact CE2-CD1 3.94Å; F175-P262 HydrophobicContact CE1-CB 4.25Å; F175-P262 HydrophobicContact CZ-CB 4.11Å; F175-P262 HydrophobicContact CZ-CG 4.32Å; F175-Q267 HydrophobicContact CB-CB 4.27Å; F175-Q267 HydrophobicContact CB-CG 4.41Å; F175-Q267 HydrophobicContact CD1-CB 4.31Å; F175-Q267 HydrophobicContact CG-CB 4.17Å; F175-P268 WeakPolarHBondContact CD1-O 3.43Å; F175-P268 WeakPolarHBondContact CE1-O 3.3Å; F175-P270 WeakPolarHBondContact CE1-O 3.37Å; F175-P270 VanDerWaalsContact CZ-O 3.31Å; F175-P270 WeakPolarHBondContact CZ-O 3.16Å
176A95.3Very high93.7Very high0 Ų040.4 Ų40.40%023%0.232CC..SBendtrans-159.7-153-171.200000111.7G151 Y152 G153 L154 Q178 D179 L180G151-A176 WeakPolarHBondContact O-CB 3.23Å; Y152-A176 WeakPolarHBondContact O-CB 3.09Å; G153-A176 VanDerWaalsContact C-CB 3.43Å; L154-A176 VanDerWaalsContact N-CB 3.32Å; A176-Q178 VanDerWaalsContact C-N 3.31Å; A176-Q178 PolarHBondContact O-N 3.13Å; A176-D179 PolarHBondContact N-OD2 3.08Å; A176-D179 PolarHBondContact O-N 3.29Å; A176-L180 PolarHBondContact O-N 2.98Å
177G95Very high93.4Very high2 Ų239.9 Ų39.92%0.02123%0.233CC..Hα-helixtrans-65.4-30.6-178.300000113.9G151 Y152 D179 L180 S181 N301G151-G177 PolarHBondContact O-N 3.39Å; Y152-G177 CarbonylContact O-C 3.59Å; Y152-G177 PolarHBondContact O-N 3.41Å; G177-D179 VanDerWaalsContact C-N 3.32Å; G177-D179 PolarHBondContact O-N 2.95Å; G177-L180 PolarHBondContact O-N 2.94Å; G177-S181 WeakPolarHBondContact O-CB 3.15Å; G177-S181 PolarHBondContact O-N 3.47Å; G177-S181 PolarHBondContact O-OG 3.23Å; G177-N301 PolarHBondContact N-ND2 3.37Å; G177-N301 VanDerWaalsContact N-ND2 3.17Å
178Q93.8Very high93.2Very high34 Ų3436.4 Ų36.416%0.15921%0.208CC..Hα-helixtrans-62.7-40.4175.7179.9174.8-13.200111.2Y152 A176 S181 A182Y152-Q178 HydrophobicContact CD1-CB 4.13Å; Y152-Q178 HydrophobicContact CE1-CB 3.82Å; Y152-Q178 HydrophobicContact CE1-CG 4.17Å; Y152-Q178 HydrophobicContact CE2-CB 4.34Å; Y152-Q178 WeakPolarHBondContact O-CB 2.98Å; Y152-Q178 PolarHBondContact O-N 2.98Å; A176-Q178 VanDerWaalsContact C-N 3.31Å; A176-Q178 PolarHBondContact O-N 3.13Å; Q178-S181 WeakPolarHBondContact O-CB 3.21Å; Q178-S181 PolarHBondContact O-N 3.09Å; Q178-A182 PolarHBondContact O-N 3.36Å
179D95.3Very high92.9Very high20 Ų2033.1 Ų33.111%0.10718%0.175CC..Hα-helixtrans-71.9-39.6179.4-54.4-75.9000111.4R69 F175 A176 G177 S181 A182 Y183R69-D179 IonicContact CZ-OD1 2.84Å; R69-D179 IonicContact CZ-OD2 3.91Å; R69-D179 IonicContact NH1-OD1 3.71Å; R69-D179 IonicContact NH1-OD2 3.82Å; R69-D179 PolarHBondContact NH1-OD2 3.34Å; R69-D179 IonicContact NH2-OD1 3.56Å; R69-D179 PolarHBondContact NH2-OD1 2.98Å; R69-D179 IonicContact NH2-OD2 3.65Å; R69-D179 PolarHBondContact NH2-OD2 3.4Å; F175-D179 WeakPolarHBondContact CA-OD2 3.39Å; F175-D179 HydrophobicContact CB-CB 4.35Å; A176-D179 PolarHBondContact N-OD2 3.08Å; A176-D179 PolarHBondContact O-N 3.29Å; G177-D179 VanDerWaalsContact C-N 3.32Å; G177-D179 PolarHBondContact O-N 2.95Å; D179-S181 VanDerWaalsContact C-N 3.28Å; D179-S181 PolarHBondContact O-N 3.46Å; D179-A182 PolarHBondContact O-N 3.03Å; D179-Y183 WeakPolarHBondContact O-CB 3.25Å; D179-Y183 PolarHBondContact O-N 3.25Å
180L95.4Very high92.3Very high0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-59.6-40.8170.3-161.3155.8000111.4A176 G177 Y183 L184 Q208 A255 P256 M258 F259 Y304A176-L180 PolarHBondContact O-N 2.98Å; G177-L180 PolarHBondContact O-N 2.94Å; L180-Y183 PolarHBondContact O-N 2.87Å; L180-L184 HydrophobicContact CD2-CD1 3.59Å; L180-L184 HydrophobicContact CD2-CG 4.13Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 3.48Å; L180-Q208 HydrophobicContact CD2-CG 3.59Å; L180-A255 HydrophobicContact CD2-CB 4.21Å; L180-A255 HydrophobicContact CG-CB 4.21Å; L180-P256 HydrophobicContact CD1-CB 4.21Å; L180-P256 HydrophobicContact CD1-CG 3.97Å; L180-M258 HydrophobicContact CB-CE 4.18Å; L180-M258 HydrophobicContact CB-SD 3.63Å; L180-M258 HydrophobicContact CD1-SD 4.23Å; L180-M258 HydrophobicContact CG-CE 4.28Å; L180-M258 HydrophobicContact CG-SD 4.01Å; L180-F259 HydrophobicContact CD1-CE2 3.72Å; L180-F259 HydrophobicContact CD1-CZ 3.9Å; L180-Y304 HydrophobicContact CD1-CE2 3.94Å
181S94Very high91.5Very high16 Ų1648.7 Ų48.711%0.11224%0.237CC..Hα-helixtrans-63.9-46.3176.4-51.30000111.3G177 Q178 D179 Y183 L184 L185 Q208G177-S181 WeakPolarHBondContact O-CB 3.15Å; G177-S181 PolarHBondContact O-N 3.47Å; G177-S181 PolarHBondContact O-OG 3.23Å; Q178-S181 WeakPolarHBondContact O-CB 3.21Å; Q178-S181 PolarHBondContact O-N 3.09Å; D179-S181 VanDerWaalsContact C-N 3.28Å; D179-S181 PolarHBondContact O-N 3.46Å; S181-Y183 VanDerWaalsContact C-N 3.35Å; S181-Y183 PolarHBondContact O-N 3.38Å; S181-L184 PolarHBondContact O-N 2.81Å; S181-L185 VanDerWaalsContact O-CB 3.3Å; S181-L185 WeakPolarHBondContact O-CB 3.27Å; S181-L185 PolarHBondContact O-N 3.2Å; S181-Q208 PolarHBondContact OG-NE2 2.72Å; S181-Q208 PolarHBondContact OG-OE1 3.2Å
182A92.9Very high90.7Very high33 Ų3351.8 Ų51.827%0.27326%0.257SS..Hα-helixtrans-62.9-40.9177.500000112.1Q178 D179 K186Q178-A182 PolarHBondContact O-N 3.36Å; D179-A182 PolarHBondContact O-N 3.03Å; A182-K186 WeakPolarHBondContact O-CB 3.49Å; A182-K186 PolarHBondContact O-N 3.19Å
183Y94Very high89.8Confident53 Ų5351.1 Ų51.121%0.20826%0.255CS..Hα-helixtrans-60-50.8175170.8-97.9000111.6D179 L180 S181 L185 K186 S187 A255 M258 F265D179-Y183 WeakPolarHBondContact O-CB 3.25Å; D179-Y183 PolarHBondContact O-N 3.25Å; L180-Y183 PolarHBondContact O-N 2.87Å; S181-Y183 VanDerWaalsContact C-N 3.35Å; S181-Y183 PolarHBondContact O-N 3.38Å; Y183-L185 PolarHBondContact O-N 2.96Å; Y183-K186 PolarHBondContact O-N 3.05Å; Y183-S187 WeakPolarHBondContact O-CB 3.33Å; Y183-S187 PolarHBondContact O-N 3.34Å; Y183-A255 HydrophobicContact CD1-CB 3.87Å; Y183-A255 HydrophobicContact CE1-CB 3.86Å; Y183-M258 HydrophobicContact CD1-CE 4.5Å; Y183-M258 HydrophobicContact CG-CE 4.21Å; Y183-F265 HydrophobicContact CD1-CD1 4.32Å; Y183-F265 HydrophobicContact CD1-CE1 4.46Å; Y183-F265 HydrophobicContact CD2-CD1 4.02Å; Y183-F265 HydrophobicContact CE1-CD1 4.05Å; Y183-F265 AromaticContact CE1-CE1 3.86Å; Y183-F265 HydrophobicContact CE1-CE1 3.86Å; Y183-F265 AromaticContact CE2-CD1 3.73Å; Y183-F265 HydrophobicContact CE2-CD1 3.73Å; Y183-F265 HydrophobicContact CE2-CE1 4.18Å; Y183-F265 HydrophobicContact CG-CD1 4.31Å; Y183-F265 AromaticContact CZ-CD1 3.74Å; Y183-F265 AromaticContact CZ-CE1 3.7Å
184L92.4Very high89.1Confident0 Ų054.3 Ų54.30%027%0.272CS..Hα-helixtrans-64.3-41.7179.9-73.9177.6000112.1L180 S181 K186 S187 L188 V204 T207 Q208 Q252 A255L180-L184 HydrophobicContact CD2-CD1 3.59Å; L180-L184 HydrophobicContact CD2-CG 4.13Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 3.48Å; S181-L184 PolarHBondContact O-N 2.81Å; L184-K186 PolarHBondContact O-N 3.01Å; L184-S187 PolarHBondContact O-N 2.94Å; L184-L188 VanDerWaalsContact O-CB 3.28Å; L184-L188 WeakPolarHBondContact O-CB 3.25Å; L184-L188 VanDerWaalsContact O-CG 3.27Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.09Å; L184-V204 HydrophobicContact CB-CG1 4Å; L184-V204 HydrophobicContact CB-CG2 4.36Å; L184-V204 HydrophobicContact CD1-CG1 4.42Å; L184-T207 HydrophobicContact CD1-CG2 4.25Å; L184-Q208 HydrophobicContact CD1-CG 3.37Å; L184-Q252 HydrophobicContact CD2-CB 3.96Å; L184-Q252 HydrophobicContact CD2-CG 4.22Å; L184-A255 HydrophobicContact CD2-CB 3.89Å; L184-A255 HydrophobicContact CG-CB 4.24Å
185L91.6Very high88.3Confident9 Ų956.5 Ų56.55%0.04728%0.275CS..Hα-helixtrans-57-51.9176.7-170.974.1000110.8S181 Y183 S187 L188 F189 C193 R195 Q200 V204S181-L185 VanDerWaalsContact O-CB 3.3Å; S181-L185 WeakPolarHBondContact O-CB 3.27Å; S181-L185 PolarHBondContact O-N 3.2Å; Y183-L185 PolarHBondContact O-N 2.96Å; L185-S187 VanDerWaalsContact C-N 3.33Å; L185-S187 PolarHBondContact O-N 3.39Å; L185-L188 PolarHBondContact O-N 3.01Å; L185-F189 HydrophobicContact CD1-CD2 3.86Å; L185-F189 HydrophobicContact CD1-CE2 4.13Å; L185-F189 WeakPolarHBondContact O-CD2 3.35Å; L185-F189 PolarHBondContact O-N 2.96Å; L185-C193 VanDerWaalsContact CD2-SG 3.53Å; L185-R195 HydrophobicContact CD2-CB 4.46Å; L185-R195 HydrophobicContact CD2-CG 3.8Å; L185-Q200 HydrophobicContact CD1-CB 3.66Å; L185-V204 HydrophobicContact CB-CG2 3.91Å; L185-V204 HydrophobicContact CD1-CG2 3.76Å; L185-V204 HydrophobicContact CG-CG2 4.47Å
186K91Very high87.5Confident144 Ų14463.1 Ų63.163%0.62630%0.3SS*.Hα-helixtrans-62.7-39.8177.4-174.7-179.4177.9-173.90111.9A182 Y183 L184 K190A182-K186 WeakPolarHBondContact O-CB 3.49Å; A182-K186 PolarHBondContact O-N 3.19Å; Y183-K186 PolarHBondContact O-N 3.05Å; L184-K186 PolarHBondContact O-N 3.01Å; K186-K190 VanDerWaalsContact O-CA 3.29Å; K186-K190 WeakPolarHBondContact O-CA 3.49Å; K186-K190 PolarHBondContact O-N 2.87Å
187S89.1Confident86.9Confident34 Ų3464.5 Ų64.524%0.23831%0.31CS..Hα-helixtrans-71.2-37.1-177.6-173.30000112.9Y183 L184 L185 Q252Y183-S187 WeakPolarHBondContact O-CB 3.33Å; Y183-S187 PolarHBondContact O-N 3.34Å; L184-S187 PolarHBondContact O-N 2.94Å; L185-S187 VanDerWaalsContact C-N 3.33Å; L185-S187 PolarHBondContact O-N 3.39Å; S187-Q252 PolarHBondContact O-NE2 2.87Å; S187-Q252 VanDerWaalsContact OG-CG 3.27Å; S187-Q252 WeakPolarHBondContact OG-CG 3.47Å; S187-Q252 PolarHBondContact OG-NE2 2.75Å
188L86.6Confident86.2Confident28 Ų2867 Ų6715%0.14732%0.322CS..Hα-helixtrans-79.6-43.4-178.5-72.7169.1000112.3L184 L185 T203 V204 V246 L248L184-L188 VanDerWaalsContact O-CB 3.28Å; L184-L188 WeakPolarHBondContact O-CB 3.25Å; L184-L188 VanDerWaalsContact O-CG 3.27Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.09Å; L185-L188 PolarHBondContact O-N 3.01Å; L188-T203 HydrophobicContact CD1-CG2 4.4Å; L188-V204 HydrophobicContact CD1-CG2 4.29Å; L188-V246 HydrophobicContact CD2-CG1 4.27Å; L188-L248 HydrophobicContact CD2-CD2 3.78Å
189F85.8Confident85.7Confident33 Ų3368.1 Ų68.115%0.14533%0.327CS..Hα-helixtrans-106.9-8.4-170.2-59-74000114.4L185 E191 D192 C193 F199 Q200 T203 V204L185-F189 HydrophobicContact CD1-CD2 3.86Å; L185-F189 HydrophobicContact CD1-CE2 4.13Å; L185-F189 WeakPolarHBondContact O-CD2 3.35Å; L185-F189 PolarHBondContact O-N 2.96Å; F189-E191 PolarHBondContact O-N 3.05Å; F189-E191 VanDerWaalsContact O-N 3.09Å; F189-D192 PolarHBondContact O-N 2.79Å; F189-C193 HydrophobicContact CB-CB 4.45Å; F189-F199 HydrophobicContact CE1-CE1 4.46Å; F189-Q200 HydrophobicContact CD1-CG 4.01Å; F189-Q200 HydrophobicContact CD2-CB 4.01Å; F189-Q200 HydrophobicContact CD2-CG 3.94Å; F189-Q200 HydrophobicContact CE1-CG 3.86Å; F189-Q200 HydrophobicContact CE2-CB 3.64Å; F189-Q200 HydrophobicContact CE2-CG 3.79Å; F189-Q200 HydrophobicContact CG-CG 4.04Å; F189-Q200 HydrophobicContact CZ-CB 3.95Å; F189-Q200 HydrophobicContact CZ-CG 3.75Å; F189-T203 HydrophobicContact CE2-CG2 4.26Å; F189-T203 HydrophobicContact CZ-CG2 3.79Å; F189-V204 HydrophobicContact CE2-CG2 4.37Å
190K83.9Confident85.3Confident165 Ų16568.1 Ų68.172%0.71733%0.326SS*.G310 helixtrans46.8-112.5175.5-62.5179.4-179.4175.60113K186 C193K186-K190 VanDerWaalsContact O-CA 3.29Å; K186-K190 WeakPolarHBondContact O-CA 3.49Å; K186-K190 PolarHBondContact O-N 2.87Å; K190-C193 WeakPolarHBondContact O-CB 3.47Å
191E78.4Confident84.8Confident195 Ų19570.3 Ų70.391%0.91134%0.338SS*.G310 helixtrans-75.8-22.9-176.8-64-174.5177.400112.8F189 C193F189-E191 PolarHBondContact O-N 3.05Å; F189-E191 VanDerWaalsContact O-N 3.09Å; E191-C193 VanDerWaalsContact C-N 3.26Å; E191-C193 PolarHBondContact O-N 3.08Å
192D79.1Confident84.4Confident134 Ų13474.6 Ų74.672%0.71736%0.356SS*.G310 helixtrans-89.716.3-180-61.3-43.7000112.8F189 D194 Q200F189-D192 PolarHBondContact O-N 2.79Å; D192-D194 PolarHBondContact O-N 2.88Å; D192-Q200 PolarHBondContact O-NE2 2.88Å
193C76.8Confident84.1Confident50 Ų5073.1 Ų73.134%0.33834%0.344SS..  trans-68.6112-177.41760000111.2L185 F189 K190 E191L185-C193 VanDerWaalsContact CD2-SG 3.53Å; F189-C193 HydrophobicContact CB-CB 4.45Å; K190-C193 WeakPolarHBondContact O-CB 3.47Å; E191-C193 VanDerWaalsContact C-N 3.26Å; E191-C193 PolarHBondContact O-N 3.08Å
194D78.9Confident83.9Confident78 Ų7870.8 Ų70.842%0.41734%0.335SS..  trans-117.5110169.9-1808.4000109.8D192 R196 S197 Q200D192-D194 PolarHBondContact O-N 2.88Å; D194-R196 PolarHBondContact O-N 3.21Å; D194-R196 VanDerWaalsContact O-N 3.08Å; D194-R196 WeakPolarHBondContact OD1-CB 3.44Å; D194-R196 PolarHBondContact OD1-N 3.15Å; D194-S197 WeakPolarHBondContact O-CB 3.24Å; D194-S197 PolarHBondContact O-N 3.35Å; D194-Q200 PolarHBondContact O-OE1 2.87Å
195R73.2Confident83.7Confident159 Ų15972.7 Ų72.760%0.635%0.351SS*.THydrogen-bonded Turntrans-65.2-11.1179.1-61.7-179.671.81360.6113.3L185L185-R195 HydrophobicContact CD2-CB 4.46Å; L185-R195 HydrophobicContact CD2-CG 3.8Å
196R74.5Confident83.5Confident138 Ų13875.8 Ų75.852%0.52137%0.366SS..THydrogen-bonded Turntrans-99.1-12.2176.2-55.5-175.4-176173.82.5112.6D61 D194 L198D61-R196 WeakPolarHBondContact OD1-CD 3.49Å; D61-R196 IonicContact OD1-CZ 2.73Å; D61-R196 IonicContact OD1-NE 3.24Å; D61-R196 IonicContact OD1-NH1 3.31Å; D61-R196 PolarHBondContact OD1-NH1 3.47Å; D194-R196 PolarHBondContact O-N 3.21Å; D194-R196 VanDerWaalsContact O-N 3.08Å; D194-R196 WeakPolarHBondContact OD1-CB 3.44Å; D194-R196 PolarHBondContact OD1-N 3.15Å; R196-L198 PolarHBondContact O-N 3.35Å
197S82.6Confident83.4Confident30 Ų3069.1 Ų69.121%0.2134%0.338CS..  trans-68.1108.4178.1179.20000110.2D194 F199 Q200 L201D194-S197 WeakPolarHBondContact O-CB 3.24Å; D194-S197 PolarHBondContact O-N 3.35Å; S197-F199 PolarHBondContact O-N 3.17Å; S197-Q200 PolarHBondContact O-N 3.45Å; S197-Q200 PolarHBondContact OG-N 3.36Å; S197-L201 WeakPolarHBondContact O-CG 3.42Å; S197-L201 PolarHBondContact O-N 2.63Å
198L81.1Confident83.5Confident53 Ų5368.5 Ų68.528%0.27733%0.331SS..Hα-helixtrans-53.8-40.9176.8-72.4179.1000111.9I55 I57 R196 Q200 L201 E202I55-L198 HydrophobicContact CB-CD2 3.93Å; I55-L198 HydrophobicContact CD1-CD2 3.41Å; I55-L198 VanDerWaalsContact CD1-CD2 3.41Å; I55-L198 HydrophobicContact CG1-CD2 4.24Å; I55-L198 HydrophobicContact CG2-CD1 4.29Å; I55-L198 HydrophobicContact CG2-CD2 3.71Å; I55-L198 HydrophobicContact CG2-CG 4.38Å; I57-L198 HydrophobicContact CB-CD1 4.39Å; I57-L198 HydrophobicContact CG1-CD1 3.98Å; I57-L198 HydrophobicContact CG2-CD1 4.47Å; R196-L198 PolarHBondContact O-N 3.35Å; L198-Q200 PolarHBondContact O-N 2.91Å; L198-L201 PolarHBondContact O-N 3.44Å; L198-E202 VanDerWaalsContact O-CB 3.3Å; L198-E202 WeakPolarHBondContact O-CB 3.25Å; L198-E202 PolarHBondContact O-N 2.78Å
199F83Confident83.4Confident59 Ų5973.9 Ų73.926%0.25936%0.357SS..Hα-helixtrans-60.9-44177.3172.8-103.4000112.3F189 S197 T203 L240 P241 D242F189-F199 HydrophobicContact CE1-CE1 4.46Å; S197-F199 PolarHBondContact O-N 3.17Å; F199-T203 VanDerWaalsContact O-CB 3.3Å; F199-T203 WeakPolarHBondContact O-CB 3.49Å; F199-T203 PolarHBondContact O-N 2.89Å; F199-T203 PolarHBondContact O-OG1 3.03Å; F199-L240 HydrophobicContact CE1-CD1 4.12Å; F199-L240 HydrophobicContact CE2-CB 4.14Å; F199-L240 HydrophobicContact CZ-CB 3.77Å; F199-L240 HydrophobicContact CZ-CD1 3.69Å; F199-L240 HydrophobicContact CZ-CG 4.35Å; F199-P241 HydrophobicContact CD2-CB 4.22Å; F199-P241 HydrophobicContact CD2-CG 4.44Å; F199-P241 HydrophobicContact CE2-CB 3.98Å; F199-P241 HydrophobicContact CE2-CG 4.16Å; F199-D242 HydrophobicContact CD2-CB 4.36Å; F199-D242 HydrophobicContact CE2-CB 3.57Å; F199-D242 HydrophobicContact CZ-CB 3.83Å; F199-D242 WeakPolarHBondContact CZ-OD1 3.41Å; F199-D242 VanDerWaalsContact CZ-OD2 3.3Å; F199-D242 WeakPolarHBondContact CZ-OD2 3.46Å
200Q86.4Confident83.5Confident19 Ų1977.7 Ų77.79%0.08938%0.379CS..Hα-helixtrans-69.8-41178.9-64-174.66.600111.5L185 F189 D192 D194 S197 L198 T203 V204L185-Q200 HydrophobicContact CD1-CB 3.66Å; F189-Q200 HydrophobicContact CD1-CG 4.01Å; F189-Q200 HydrophobicContact CD2-CB 4.01Å; F189-Q200 HydrophobicContact CD2-CG 3.94Å; F189-Q200 HydrophobicContact CE1-CG 3.86Å; F189-Q200 HydrophobicContact CE2-CB 3.64Å; F189-Q200 HydrophobicContact CE2-CG 3.79Å; F189-Q200 HydrophobicContact CG-CG 4.04Å; F189-Q200 HydrophobicContact CZ-CB 3.95Å; F189-Q200 HydrophobicContact CZ-CG 3.75Å; D192-Q200 PolarHBondContact O-NE2 2.88Å; D194-Q200 PolarHBondContact O-OE1 2.87Å; S197-Q200 PolarHBondContact O-N 3.45Å; S197-Q200 PolarHBondContact OG-N 3.36Å; L198-Q200 PolarHBondContact O-N 2.91Å; Q200-T203 PolarHBondContact O-N 3.19Å; Q200-V204 WeakPolarHBondContact O-CG2 3.43Å; Q200-V204 PolarHBondContact O-N 3.46Å
201L85.5Confident83.7Confident46 Ų4674.4 Ų74.424%0.24137%0.365CS..Hα-helixtrans-62.2-44.6176.4-68176.6000111.9S197 L198 V204 A205S197-L201 WeakPolarHBondContact O-CG 3.42Å; S197-L201 PolarHBondContact O-N 2.63Å; L198-L201 PolarHBondContact O-N 3.44Å; L201-V204 PolarHBondContact O-N 3.37Å; L201-A205 PolarHBondContact O-N 3.07Å
202E85.3Confident84.4Confident106 Ų10665.3 Ų65.350%0.49532%0.323SS..Hα-helixtrans-63.7-44.7176.2-177.1173.9-152.100111.3L198 V204 A205 I206 P241L198-E202 VanDerWaalsContact O-CB 3.3Å; L198-E202 WeakPolarHBondContact O-CB 3.25Å; L198-E202 PolarHBondContact O-N 2.78Å; E202-V204 VanDerWaalsContact C-N 3.32Å; E202-V204 PolarHBondContact O-N 2.75Å; E202-A205 PolarHBondContact O-N 2.96Å; E202-I206 HydrophobicContact CG-CD1 3.82Å; E202-I206 HydrophobicContact CG-CG1 4.4Å; E202-I206 WeakPolarHBondContact O-CG1 3.37Å; E202-I206 PolarHBondContact O-N 3.37Å; E202-P241 HydrophobicContact CG-CG 4.44Å
203T86.3Confident85.1Confident2 Ų262 Ų621%0.01230%0.301CS..Hα-helixtrans-56.6-45.5175.7-66.50000111.9L188 F189 F199 Q200 T207 L240L188-T203 HydrophobicContact CD1-CG2 4.4Å; F189-T203 HydrophobicContact CE2-CG2 4.26Å; F189-T203 HydrophobicContact CZ-CG2 3.79Å; F199-T203 VanDerWaalsContact O-CB 3.3Å; F199-T203 WeakPolarHBondContact O-CB 3.49Å; F199-T203 PolarHBondContact O-N 2.89Å; F199-T203 PolarHBondContact O-OG1 3.03Å; Q200-T203 PolarHBondContact O-N 3.19Å; T203-T207 WeakPolarHBondContact O-CB 3.33Å; T203-T207 PolarHBondContact O-N 2.91Å; T203-T207 PolarHBondContact O-OG1 3.48Å; T203-L240 HydrophobicContact CG2-CD1 4.23Å; T203-L240 HydrophobicContact CG2-CD2 3.37Å; T203-L240 HydrophobicContact CG2-CG 4.45Å
204V90.4Very high86Confident5 Ų559.9 Ų59.93%0.0329%0.286CS..Hα-helixtrans-63.3-46.7177.3168.80000110.8L184 L185 L188 F189 Q200 L201 E202 I206 T207 Q208L184-V204 HydrophobicContact CB-CG1 4Å; L184-V204 HydrophobicContact CB-CG2 4.36Å; L184-V204 HydrophobicContact CD1-CG1 4.42Å; L185-V204 HydrophobicContact CB-CG2 3.91Å; L185-V204 HydrophobicContact CD1-CG2 3.76Å; L185-V204 HydrophobicContact CG-CG2 4.47Å; L188-V204 HydrophobicContact CD1-CG2 4.29Å; F189-V204 HydrophobicContact CE2-CG2 4.37Å; Q200-V204 WeakPolarHBondContact O-CG2 3.43Å; Q200-V204 PolarHBondContact O-N 3.46Å; L201-V204 PolarHBondContact O-N 3.37Å; E202-V204 VanDerWaalsContact C-N 3.32Å; E202-V204 PolarHBondContact O-N 2.75Å; V204-I206 PolarHBondContact O-N 3.39Å; V204-T207 WeakPolarHBondContact O-CB 3.43Å; V204-T207 PolarHBondContact O-N 3.11Å; V204-Q208 HydrophobicContact CG1-CG 4.43Å; V204-Q208 WeakPolarHBondContact O-CG 3.32Å; V204-Q208 PolarHBondContact O-N 2.93Å
205A88.7Confident86.7Confident40 Ų4056.4 Ų56.433%0.33127%0.268SS..Hα-helixtrans-60.7-44.9179.600000112.3L201 E202 T207 Q208 M209L201-A205 PolarHBondContact O-N 3.07Å; E202-A205 PolarHBondContact O-N 2.96Å; A205-T207 VanDerWaalsContact C-N 3.33Å; A205-T207 PolarHBondContact O-N 3.47Å; A205-Q208 PolarHBondContact O-N 3.08Å; A205-M209 WeakPolarHBondContact O-CG 3.02Å; A205-M209 PolarHBondContact O-N 3.23Å
206I87.4Confident87.5Confident73 Ų7353.2 Ų53.237%0.37426%0.26SS..Hα-helixtrans-61.9-42.7175.9-68.6171.3000110.6E202 V204 M209 N210 P241E202-I206 HydrophobicContact CG-CD1 3.82Å; E202-I206 HydrophobicContact CG-CG1 4.4Å; E202-I206 WeakPolarHBondContact O-CG1 3.37Å; E202-I206 PolarHBondContact O-N 3.37Å; V204-I206 PolarHBondContact O-N 3.39Å; I206-M209 PolarHBondContact O-N 2.94Å; I206-N210 WeakPolarHBondContact O-CB 3.3Å; I206-N210 PolarHBondContact O-N 2.78Å; I206-N210 PolarHBondContact O-ND2 3.13Å; I206-P241 HydrophobicContact CD1-CG 4.22Å
207T88.2Confident88.1Confident5 Ų550.3 Ų50.33%0.03126%0.255CS..Hα-helixtrans-61.5-47.1178.5-620000111.1L184 T203 V204 A205 K211 C212 L248L184-T207 HydrophobicContact CD1-CG2 4.25Å; T203-T207 WeakPolarHBondContact O-CB 3.33Å; T203-T207 PolarHBondContact O-N 2.91Å; T203-T207 PolarHBondContact O-OG1 3.48Å; V204-T207 WeakPolarHBondContact O-CB 3.43Å; V204-T207 PolarHBondContact O-N 3.11Å; A205-T207 VanDerWaalsContact C-N 3.33Å; A205-T207 PolarHBondContact O-N 3.47Å; T207-K211 WeakPolarHBondContact O-CA 3.3Å; T207-K211 WeakPolarHBondContact O-CB 3.33Å; T207-K211 PolarHBondContact O-N 2.75Å; T207-C212 PolarHBondContact O-N 3.24Å; T207-L248 HydrophobicContact CG2-CD1 3.95Å; T207-L248 HydrophobicContact CG2-CD2 3.77Å; T207-L248 HydrophobicContact CG2-CG 4.46Å
208Q90.5Very high88.3Confident21 Ų2150.1 Ų50.110%0.09825%0.251CS..Hα-helixtrans-57.1-55.3176.5-73.3-179.2-17.800111.7L180 S181 L184 V204 A205 N210 C212 Y304L180-Q208 HydrophobicContact CD2-CG 3.59Å; S181-Q208 PolarHBondContact OG-NE2 2.72Å; S181-Q208 PolarHBondContact OG-OE1 3.2Å; L184-Q208 HydrophobicContact CD1-CG 3.37Å; V204-Q208 HydrophobicContact CG1-CG 4.43Å; V204-Q208 WeakPolarHBondContact O-CG 3.32Å; V204-Q208 PolarHBondContact O-N 2.93Å; A205-Q208 PolarHBondContact O-N 3.08Å; Q208-N210 PolarHBondContact O-N 3.05Å; Q208-C212 WeakPolarHBondContact O-CB 3.33Å; Q208-Y304 WeakPolarHBondContact O-CE1 3.43Å
209M86.2Confident88.4Confident140 Ų14049.2 Ų49.269%0.6926%0.255SS*.Hα-helixtrans-68-35.2-171.8-69.3-174.8169.800112.9A205 I206A205-M209 WeakPolarHBondContact O-CG 3.02Å; A205-M209 PolarHBondContact O-N 3.23Å; I206-M209 PolarHBondContact O-N 2.94Å
210N87.4Confident88.3Confident114 Ų11452.7 Ų52.761%0.6127%0.272SS*.Hα-helixtrans-106.8-19.8-168-63-39.1000114.8I206 Q208I206-N210 WeakPolarHBondContact O-CB 3.3Å; I206-N210 PolarHBondContact O-N 2.78Å; I206-N210 PolarHBondContact O-ND2 3.13Å; Q208-N210 PolarHBondContact O-N 3.05Å
211K87.2Confident88.1Confident96 Ų9652.5 Ų52.542%0.41727%0.274SS..Hα-helixtrans-125.1-21.2-169.1-56.1-63.8-179.9178.80114.2T207 L248T207-K211 WeakPolarHBondContact O-CA 3.3Å; T207-K211 WeakPolarHBondContact O-CB 3.33Å; T207-K211 PolarHBondContact O-N 2.75Å; K211-L248 HydrophobicContact CB-CD1 3.56Å; K211-L248 HydrophobicContact CG-CD1 4.05Å
212C92.9Very high87.8Confident4 Ų452.7 Ų52.73%0.02728%0.275CS..  trans-82.7143.5-178.9-69.20000112.3T207 Q208 Q252 R253 P256 Y304T207-C212 PolarHBondContact O-N 3.24Å; Q208-C212 WeakPolarHBondContact O-CB 3.33Å; C212-Q252 PolarHBondContact SG-O 2.81Å; C212-Q252 VanDerWaalsContact SG-O 3.39Å; C212-R253 CarbonylContact C-O 3.55Å; C212-R253 VanDerWaalsContact CA-O 3.24Å; C212-R253 WeakPolarHBondContact CA-O 3.44Å; C212-P256 HydrophobicContact CB-CG 3.64Å; C212-Y304 HydrophobicContact CB-CD1 4.1Å; C212-Y304 HydrophobicContact CB-CE1 3.74Å
213Y94.7Very high87.6Confident65 Ų6551.5 Ų51.526%0.25527%0.272SS..  trans-149.9163175.569.1-84.7000111.2P215 R253 V254Y213-P215 HydrophobicContact CE2-CB 4.25Å; Y213-R253 HydrophobicContact CD1-CB 4.46Å; Y213-R253 HydrophobicContact CE1-CB 4.02Å; Y213-R253 PolarHBondContact N-O 2.9Å; Y213-V254 HydrophobicContact CE1-CG1 4.38Å; Y213-V254 HydrophobicContact CE2-CG1 4.24Å
214V95.8Very high87Confident4 Ų456.7 Ų56.72%0.02429%0.294CS..  trans-96.6118174.5176.70000109.1P256 F260 P305 F307 R310V214-P256 HydrophobicContact CG2-CB 3.58Å; V214-F260 HydrophobicContact CB-CE2 4.33Å; V214-F260 HydrophobicContact CG1-CD2 3.73Å; V214-F260 HydrophobicContact CG1-CE2 3.41Å; V214-F260 VanDerWaalsContact CG1-CE2 3.41Å; V214-F260 HydrophobicContact CG1-CZ 4.08Å; V214-F260 HydrophobicContact CG2-CE2 3.92Å; V214-P305 PolarHBondContact N-O 3.41Å; V214-F307 HydrophobicContact CB-CB 4.5Å; V214-F307 HydrophobicContact CG2-CB 3.95Å; V214-F307 HydrophobicContact CG2-CD2 3.96Å; V214-F307 HydrophobicContact CG2-CG 4.42Å; V214-R310 HydrophobicContact CG1-CB 3.62Å; V214-R310 HydrophobicContact CG1-CG 3.78Å
215P93.8Very high86.1Confident6 Ų658.4 Ų58.44%0.03930%0.3CS..  trans-72.6159.7175.331.5-34.5000111.8Y213 A221 V254 E257 R310Y213-P215 HydrophobicContact CE2-CB 4.25Å; P215-A221 HydrophobicContact CB-CB 3.68Å; P215-A221 HydrophobicContact CG-CB 4.33Å; P215-V254 HydrophobicContact CG-CB 4.24Å; P215-V254 HydrophobicContact CG-CG1 4.1Å; P215-E257 WeakPolarHBondContact CD-OE2 3.48Å; P215-E257 WeakPolarHBondContact CG-OE2 3.32Å; P215-R310 PolarHBondContact O-NH1 2.83Å
216Q89.8Confident85.2Confident91 Ų9162 Ų6243%0.42531%0.31SS..SBendtrans-69-37.3172.2-70.5-63.8-71.900112.1R310Q216-R310 WeakPolarHBondContact O-CD 3.12Å; Q216-R310 PolarHBondContact O-NE 3.35Å
217N87.9Confident84.3Confident78 Ų7867.2 Ų67.242%0.41733%0.325SS..  trans-146.1134.3175.3-177.9-71.7000108G219 E220 A221N217-G219 WeakPolarHBondContact OD1-CA 3.42Å; N217-G219 PolarHBondContact OD1-N 3.06Å; N217-E220 HydrophobicContact CB-CB 4.28Å; N217-E220 HydrophobicContact CB-CG 4.21Å; N217-E220 PolarHBondContact OD1-N 2.95Å; N217-A221 WeakPolarHBondContact O-CB 3.23Å; N217-A221 PolarHBondContact O-N 3.39Å
218L85.6Confident83.2Confident26 Ų2670.9 Ų70.914%0.13634%0.342CS..Hα-helixtrans-65.2-47.6-178.5177.356.5000112.2E220 A221 L222 V254 E257 V264L218-E220 PolarHBondContact O-N 3.49Å; L218-A221 PolarHBondContact O-N 2.96Å; L218-L222 HydrophobicContact CD1-CD1 3.89Å; L218-L222 HydrophobicContact CD1-CD2 4.42Å; L218-L222 HydrophobicContact CD1-CG 3.96Å; L218-L222 HydrophobicContact CG-CD1 4.08Å; L218-L222 WeakPolarHBondContact O-CG 3.27Å; L218-L222 PolarHBondContact O-N 2.99Å; L218-V254 HydrophobicContact CD1-CG2 4.14Å; L218-E257 HydrophobicContact CB-CG 4.19Å; L218-E257 HydrophobicContact CD1-CG 4.04Å; L218-E257 HydrophobicContact CD2-CG 4.01Å; L218-E257 HydrophobicContact CG-CG 4.28Å; L218-V264 HydrophobicContact CD2-CG1 4.28Å; L218-V264 HydrophobicContact CD2-CG2 4.16Å
219G84Confident81.6Confident34 Ų3477 Ų7735%0.35137%0.368SS..Hα-helixtrans-59.7-49.4-177.500000112.2N217 A221 L222 D223N217-G219 WeakPolarHBondContact OD1-CA 3.42Å; N217-G219 PolarHBondContact OD1-N 3.06Å; G219-A221 VanDerWaalsContact C-N 3.29Å; G219-A221 PolarHBondContact O-N 3.37Å; G219-L222 PolarHBondContact O-N 2.97Å; G219-D223 VanDerWaalsContact O-CG 3.31Å; G219-D223 PolarHBondContact O-N 3.46Å
220E79.9Confident80Confident131 Ų13176.1 Ų76.161%0.61238%0.376SS*.Hα-helixtrans-61.7-37.3178-65.5-177.2170.400112.7N217 L218 F224N217-E220 HydrophobicContact CB-CB 4.28Å; N217-E220 HydrophobicContact CB-CG 4.21Å; N217-E220 PolarHBondContact OD1-N 2.95Å; L218-E220 PolarHBondContact O-N 3.49Å; E220-F224 VanDerWaalsContact O-CB 3.23Å; E220-F224 WeakPolarHBondContact O-CB 3.24Å; E220-F224 PolarHBondContact O-N 2.75Å
221A81.8Confident78.3Confident16 Ų1673 Ų7313%0.13237%0.371CS..Hα-helixtrans-67.1-38.7178.700000112.1P215 N217 L218 G219 R225P215-A221 HydrophobicContact CB-CB 3.68Å; P215-A221 HydrophobicContact CG-CB 4.33Å; N217-A221 WeakPolarHBondContact O-CB 3.23Å; N217-A221 PolarHBondContact O-N 3.39Å; L218-A221 PolarHBondContact O-N 2.96Å; G219-A221 VanDerWaalsContact C-N 3.29Å; G219-A221 PolarHBondContact O-N 3.37Å; A221-R225 WeakPolarHBondContact O-CG 3.2Å; A221-R225 PolarHBondContact O-N 3.03Å
222L80.2Confident76.5Confident50 Ų5076.4 Ų76.426%0.26239%0.393SS..Hα-helixtrans-69.1-49.3175.8-65.5177.3000110.8L218 G219 F224 R225 E226 P250 M251L218-L222 HydrophobicContact CD1-CD1 3.89Å; L218-L222 HydrophobicContact CD1-CD2 4.42Å; L218-L222 HydrophobicContact CD1-CG 3.96Å; L218-L222 HydrophobicContact CG-CD1 4.08Å; L218-L222 WeakPolarHBondContact O-CG 3.27Å; L218-L222 PolarHBondContact O-N 2.99Å; G219-L222 PolarHBondContact O-N 2.97Å; L222-F224 VanDerWaalsContact C-N 3.31Å; L222-F224 PolarHBondContact O-N 3.27Å; L222-R225 PolarHBondContact O-N 2.81Å; L222-R225 VanDerWaalsContact O-N 3.09Å; L222-E226 WeakPolarHBondContact O-CG 3.39Å; L222-E226 PolarHBondContact O-N 3Å; L222-P250 HydrophobicContact CD2-CB 4.33Å; L222-M251 HydrophobicContact CD1-SD 4.3Å; L222-M251 HydrophobicContact CD2-CG 4.34Å; L222-M251 HydrophobicContact CD2-SD 3.74Å
223D81.8Confident74.8Confident81 Ų8178.6 Ų78.643%0.43340%0.404SS..Hα-helixtrans-61.1-38.9179.7-68.9-10.1000112.6G219 R225 R227G219-D223 VanDerWaalsContact O-CG 3.31Å; G219-D223 PolarHBondContact O-N 3.46Å; D223-R225 VanDerWaalsContact C-N 3.33Å; D223-R227 WeakPolarHBondContact O-CB 3.48Å; D223-R227 VanDerWaalsContact O-CG 3.3Å; D223-R227 WeakPolarHBondContact O-CG 3.32Å; D223-R227 PolarHBondContact O-N 2.86Å; D223-R227 PolarHBondContact O-NE 2.79Å
224F73.6Confident72.9Confident110 Ų11083.5 Ų83.548%0.48243%0.429SS..Hα-helixtrans-61.5-44.1175.9176.1-96000111E220 L222 R227 Q228E220-F224 VanDerWaalsContact O-CB 3.23Å; E220-F224 WeakPolarHBondContact O-CB 3.24Å; E220-F224 PolarHBondContact O-N 2.75Å; L222-F224 VanDerWaalsContact C-N 3.31Å; L222-F224 PolarHBondContact O-N 3.27Å; F224-R227 PolarHBondContact O-N 2.92Å; F224-Q228 PolarHBondContact O-N 2.9Å; F224-Q228 VanDerWaalsContact O-N 3.09Å
225R70.4Confident71.2Confident42 Ų4287.1 Ų87.116%0.15846%0.455CS..Hα-helixtrans-71.8-36.1180-71.7-65.7-173.5176.5-0.1112.6A221 L222 D223 R227 Q228 D233 P250 R253A221-R225 WeakPolarHBondContact O-CG 3.2Å; A221-R225 PolarHBondContact O-N 3.03Å; L222-R225 PolarHBondContact O-N 2.81Å; L222-R225 VanDerWaalsContact O-N 3.09Å; D223-R225 VanDerWaalsContact C-N 3.33Å; R225-R227 VanDerWaalsContact C-N 3.32Å; R225-Q228 PolarHBondContact O-N 3.23Å; R225-D233 IonicContact NH1-OD2 2.93Å; R225-P250 HydrophobicContact CB-CB 3.98Å; R225-P250 HydrophobicContact CB-CG 3.79Å; R225-P250 HydrophobicContact CG-CB 4.13Å; R225-P250 HydrophobicContact CG-CG 4.29Å; R225-R253 VanDerWaalsContact CZ-NH2 3.26Å; R225-R253 VanDerWaalsContact NH1-NH1 3.13Å
226E70.8Confident69.8Low116 Ų11687.6 Ų87.654%0.54246%0.457SS..Hα-helixtrans-63.3-40.1173.3-72-164.715500112L222 Q228 K229L222-E226 WeakPolarHBondContact O-CG 3.39Å; L222-E226 PolarHBondContact O-N 3Å; E226-Q228 VanDerWaalsContact C-N 3.28Å; E226-Q228 PolarHBondContact O-N 2.8Å; E226-K229 WeakPolarHBondContact O-CB 3.19Å; E226-K229 WeakPolarHBondContact O-CG 3.41Å; E226-K229 PolarHBondContact O-N 2.7Å
227R69Low68.7Low182 Ų18285.8 Ų85.869%0.68745%0.452SS*.Hα-helixtrans-67.1-27174.2-74.7179.1-83.4-169.3-5.9113.4D223 F224 R225 K229D223-R227 WeakPolarHBondContact O-CB 3.48Å; D223-R227 VanDerWaalsContact O-CG 3.3Å; D223-R227 WeakPolarHBondContact O-CG 3.32Å; D223-R227 PolarHBondContact O-N 2.86Å; D223-R227 PolarHBondContact O-NE 2.79Å; F224-R227 PolarHBondContact O-N 2.92Å; R225-R227 VanDerWaalsContact C-N 3.32Å; R227-K229 VanDerWaalsContact C-N 3.31Å; R227-K229 PolarHBondContact O-N 3.31Å
228Q64.3Low67.9Low81 Ų8183.3 Ų83.338%0.37944%0.437SS..THydrogen-bonded Turntrans-78.9-5.4178.2-118.5-172.6-3.300114.5F224 R225 E226 S230F224-Q228 PolarHBondContact O-N 2.9Å; F224-Q228 VanDerWaalsContact O-N 3.09Å; R225-Q228 PolarHBondContact O-N 3.23Å; E226-Q228 VanDerWaalsContact C-N 3.28Å; E226-Q228 PolarHBondContact O-N 2.8Å; Q228-S230 PolarHBondContact O-N 2.93Å
229K57.1Low67.3Low149 Ų14988.7 Ų88.765%0.64846%0.462SS*.THydrogen-bonded Turntrans-63.81-177-75.6178.2176.9169.30115.7E226 R227 G231E226-K229 WeakPolarHBondContact O-CB 3.19Å; E226-K229 WeakPolarHBondContact O-CG 3.41Å; E226-K229 PolarHBondContact O-N 2.7Å; R227-K229 VanDerWaalsContact C-N 3.31Å; R227-K229 PolarHBondContact O-N 3.31Å; K229-G231 VanDerWaalsContact C-N 3.28Å; K229-G231 PolarHBondContact O-N 3.4Å
230S52.3Low66.6Low122 Ų12287.8 Ų87.885%0.85345%0.449SS*.THydrogen-bonded Turntrans-8311.2-177.551.60000115.4Q228Q228-S230 PolarHBondContact O-N 2.93Å
231G52.2Low66Low50 Ų5084.9 Ų84.952%0.51544%0.441SS..SBendtrans-157.3149.9169.600000112.4K229 D233K229-G231 VanDerWaalsContact C-N 3.28Å; K229-G231 PolarHBondContact O-N 3.4Å; G231-D233 PolarHBondContact O-N 2.76Å
232L48.9Very low65.5Low167 Ų16788.7 Ų88.787%0.87446%0.46SS*.  trans-61.4101.1165.9-85.9140.9000108E234L232-E234 PolarHBondContact O-N 3.48Å
233D56.5Low65.1Low50 Ų5088 Ų8827%0.26746%0.464SS..  trans-82.198.4176.7-172.50.5000107.8R225 G231 S235 N236R225-D233 IonicContact NH1-OD2 2.93Å; G231-D233 PolarHBondContact O-N 2.76Å; D233-S235 PolarHBondContact O-N 3.12Å; D233-S235 VanDerWaalsContact OD1-CB 3.26Å; D233-S235 WeakPolarHBondContact OD1-CB 3.24Å; D233-S235 PolarHBondContact OD1-N 2.8Å; D233-S235 PolarHBondContact OD1-OG 2.91Å; D233-S235 PolarHBondContact OD2-OG 3.01Å; D233-N236 WeakPolarHBondContact O-CB 3.43Å; D233-N236 PolarHBondContact O-N 3.27Å; D233-N236 PolarHBondContact OD2-ND2 3.42Å
234E56.1Low64.8Low167 Ų16786.2 Ų86.278%0.7846%0.458SS*.G310 helixtrans-54.9-17.7176.7-69.5-167.2152.100112.4L232 N236L232-E234 PolarHBondContact O-N 3.48Å; E234-N236 PolarHBondContact O-N 3.02Å
235S60.3Low64.9Low80 Ų8089.7 Ų89.756%0.55947%0.468SS*.G310 helixtrans-70.8-16.4173.280.50000114.2D233D233-S235 PolarHBondContact O-N 3.12Å; D233-S235 VanDerWaalsContact OD1-CB 3.26Å; D233-S235 WeakPolarHBondContact OD1-CB 3.24Å; D233-S235 PolarHBondContact OD1-N 2.8Å; D233-S235 PolarHBondContact OD1-OG 2.91Å; D233-S235 PolarHBondContact OD2-OG 3.01Å
236N63.9Low65.1Low17 Ų1789.8 Ų89.89%0.09147%0.473CS..G310 helixtrans-93.5-11.9-179.4-65.2-21.8000113.5D233 E234 Y238 E247 L248 R253D233-N236 WeakPolarHBondContact O-CB 3.43Å; D233-N236 PolarHBondContact O-N 3.27Å; D233-N236 PolarHBondContact OD2-ND2 3.42Å; E234-N236 PolarHBondContact O-N 3.02Å; N236-Y238 WeakPolarHBondContact O-CD1 3.27Å; N236-Y238 WeakPolarHBondContact O-CE1 3.36Å; N236-E247 HydrophobicContact CB-CG 3.94Å; N236-E247 WeakPolarHBondContact O-CA 3.49Å; N236-L248 PolarHBondContact O-N 2.93Å; N236-R253 PolarHBondContact OD1-NH1 3.33Å; N236-R253 PolarHBondContact OD1-NH2 3.18Å
237T66.8Low65.5Low52 Ų5289.6 Ų89.632%0.31947%0.472SS..EExtended strand (participates in β ladder)trans-96.1135.2177.3-3.90000110.4R245 V246 E247T237-R245 HydrophobicContact CG2-CB 4.2Å; T237-V246 WeakPolarHBondContact CA-O 3.32Å; T237-E247 HydrophobicContact CG2-CB 4.38Å
238Y70.8Confident66.1Low26 Ų2681.1 Ų81.110%0.10244%0.441CS..EExtended strand (participates in β ladder)trans-135.4143.2-178.837.1-80.4000110.3N236 L240 R245 V246 E247 L248N236-Y238 WeakPolarHBondContact O-CD1 3.27Å; N236-Y238 WeakPolarHBondContact O-CE1 3.36Å; Y238-L240 HydrophobicContact CD2-CD2 4.01Å; Y238-L240 HydrophobicContact CE2-CD2 4.24Å; Y238-R245 CarbonylContact O-C 3.5Å; Y238-R245 VanDerWaalsContact O-CA 3.26Å; Y238-R245 WeakPolarHBondContact O-CA 3.38Å; Y238-V246 VanDerWaalsContact CD1-O 3.24Å; Y238-V246 WeakPolarHBondContact CD1-O 3.32Å; Y238-V246 HydrophobicContact CD2-CB 4.18Å; Y238-V246 WeakPolarHBondContact CE1-O 3.47Å; Y238-V246 HydrophobicContact CE2-CB 3.44Å; Y238-V246 VanDerWaalsContact CE2-CB 3.44Å; Y238-V246 HydrophobicContact CE2-CG1 3.86Å; Y238-V246 WeakPolarHBondContact CE2-O 3.26Å; Y238-V246 PolarHBondContact N-O 3.19Å; Y238-V246 PolarHBondContact O-N 2.87Å; Y238-V246 VanDerWaalsContact OH-CG1 3.24Å; Y238-V246 WeakPolarHBondContact OH-CG1 3.39Å; Y238-E247 PolarHBondContact OH-O 3.03Å; Y238-L248 HydrophobicContact CD1-CG 4.16Å; Y238-L248 HydrophobicContact CE1-CB 3.56Å; Y238-L248 HydrophobicContact CE1-CD1 4.14Å; Y238-L248 HydrophobicContact CE1-CD2 4.09Å; Y238-L248 HydrophobicContact CE1-CG 3.23Å; Y238-L248 HydrophobicContact CE2-CD2 4.31Å; Y238-L248 HydrophobicContact CE2-CG 4.25Å; Y238-L248 WeakPolarHBondContact OH-CA 3.44Å; Y238-L248 WeakPolarHBondContact OH-CB 3.45Å; Y238-L248 WeakPolarHBondContact OH-CD2 3.44Å; Y238-L248 WeakPolarHBondContact OH-CG 3.4Å; Y238-L248 PolarHBondContact OH-N 3.41Å
239Q72.9Confident67.1Low139 Ų13980.3 Ų80.365%0.6544%0.441SS*.EExtended strand (participates in β ladder)trans-84.1122.2175.6-162.3170.512.800109G243 S244Q239-G243 WeakPolarHBondContact CG-O 3.42Å; Q239-G243 PolarHBondContact NE2-O 3.44Å; Q239-S244 CarbonylContact C-O 3.58Å; Q239-S244 VanDerWaalsContact CA-O 3.27Å; Q239-S244 WeakPolarHBondContact CA-O 3.04Å
240L70.3Confident68.4Low15 Ų1575.2 Ų75.28%0.07942%0.423CS..  trans-74.2164.7171.2-63.7-167.2000110.5F199 T203 Y238 D242 G243 S244 V246F199-L240 HydrophobicContact CE1-CD1 4.12Å; F199-L240 HydrophobicContact CE2-CB 4.14Å; F199-L240 HydrophobicContact CZ-CB 3.77Å; F199-L240 HydrophobicContact CZ-CD1 3.69Å; F199-L240 HydrophobicContact CZ-CG 4.35Å; T203-L240 HydrophobicContact CG2-CD1 4.23Å; T203-L240 HydrophobicContact CG2-CD2 3.37Å; T203-L240 HydrophobicContact CG2-CG 4.45Å; Y238-L240 HydrophobicContact CD2-CD2 4.01Å; Y238-L240 HydrophobicContact CE2-CD2 4.24Å; L240-D242 VanDerWaalsContact CB-OD1 3.25Å; L240-D242 WeakPolarHBondContact CB-OD1 3.27Å; L240-D242 PolarHBondContact O-N 2.9Å; L240-D242 VanDerWaalsContact O-N 3.07Å; L240-G243 WeakPolarHBondContact O-CA 3.48Å; L240-G243 PolarHBondContact O-N 3.16Å; L240-S244 WeakPolarHBondContact CB-OG 3.18Å; L240-S244 WeakPolarHBondContact CD1-OG 3.46Å; L240-S244 PolarHBondContact N-O 2.69Å; L240-V246 HydrophobicContact CD1-CG2 3.58Å; L240-V246 HydrophobicContact CD2-CG2 4.47Å; L240-V246 HydrophobicContact CG-CG2 3.93Å
241P66.5Low70Confident70 Ų7071.7 Ų71.746%0.45539%0.394SS..THydrogen-bonded Turntrans-55.2-25.1178.7-27.634.6000115.2F199 E202 I206 G243F199-P241 HydrophobicContact CD2-CB 4.22Å; F199-P241 HydrophobicContact CD2-CG 4.44Å; F199-P241 HydrophobicContact CE2-CB 3.98Å; F199-P241 HydrophobicContact CE2-CG 4.16Å; E202-P241 HydrophobicContact CG-CG 4.44Å; I206-P241 HydrophobicContact CD1-CG 4.22Å; P241-G243 VanDerWaalsContact C-N 3.28Å
242D70.3Confident71.8Confident97 Ų9769.7 Ų69.752%0.51937%0.371SS..THydrogen-bonded Turntrans-84.7-0.9177.369.5-12.3000113.2F199 L240 S244F199-D242 HydrophobicContact CD2-CB 4.36Å; F199-D242 HydrophobicContact CE2-CB 3.57Å; F199-D242 HydrophobicContact CZ-CB 3.83Å; F199-D242 WeakPolarHBondContact CZ-OD1 3.41Å; F199-D242 VanDerWaalsContact CZ-OD2 3.3Å; F199-D242 WeakPolarHBondContact CZ-OD2 3.46Å; L240-D242 VanDerWaalsContact CB-OD1 3.25Å; L240-D242 WeakPolarHBondContact CB-OD1 3.27Å; L240-D242 PolarHBondContact O-N 2.9Å; L240-D242 VanDerWaalsContact O-N 3.07Å; D242-S244 VanDerWaalsContact C-N 3.34Å; D242-S244 VanDerWaalsContact OD1-CB 3.24Å; D242-S244 WeakPolarHBondContact OD1-CB 3.28Å; D242-S244 PolarHBondContact OD1-N 3.15Å; D242-S244 PolarHBondContact OD1-OG 3.03Å; D242-S244 PolarHBondContact OD2-OG 2.97Å
243G72.6Confident73.7Confident34 Ų3462.8 Ų62.835%0.35133%0.333SS..SBendtrans87.7-5.8-17800000114.8Q239 L240 P241Q239-G243 WeakPolarHBondContact CG-O 3.42Å; Q239-G243 PolarHBondContact NE2-O 3.44Å; L240-G243 WeakPolarHBondContact O-CA 3.48Å; L240-G243 PolarHBondContact O-N 3.16Å; P241-G243 VanDerWaalsContact C-N 3.28Å
244S75Confident75.4Confident44 Ų4460.5 Ų60.531%0.30832%0.322SS..  trans-69.1152.6176.768.90000111.2Q239 L240 D242Q239-S244 CarbonylContact C-O 3.58Å; Q239-S244 VanDerWaalsContact CA-O 3.27Å; Q239-S244 WeakPolarHBondContact CA-O 3.04Å; L240-S244 WeakPolarHBondContact CB-OG 3.18Å; L240-S244 WeakPolarHBondContact CD1-OG 3.46Å; L240-S244 PolarHBondContact N-O 2.69Å; D242-S244 VanDerWaalsContact C-N 3.34Å; D242-S244 VanDerWaalsContact OD1-CB 3.24Å; D242-S244 WeakPolarHBondContact OD1-CB 3.28Å; D242-S244 PolarHBondContact OD1-N 3.15Å; D242-S244 PolarHBondContact OD1-OG 3.03Å; D242-S244 PolarHBondContact OD2-OG 2.97Å
245R75.8Confident77.2Confident184 Ų18452.6 Ų52.669%0.69428%0.284SS*.EExtended strand (participates in β ladder)trans-106.4127.6177.4-69.3-175.1177.4-155.5-0.8110.2T237 Y238T237-R245 HydrophobicContact CG2-CB 4.2Å; Y238-R245 CarbonylContact O-C 3.5Å; Y238-R245 VanDerWaalsContact O-CA 3.26Å; Y238-R245 WeakPolarHBondContact O-CA 3.38Å
246V74.4Confident78.9Confident44 Ų4448.8 Ų48.827%0.26726%0.258SS..EExtended strand (participates in β ladder)trans-119.9145.1172.7-176.10000108.6L188 T237 Y238 L240L188-V246 HydrophobicContact CD2-CG1 4.27Å; T237-V246 WeakPolarHBondContact CA-O 3.32Å; Y238-V246 VanDerWaalsContact CD1-O 3.24Å; Y238-V246 WeakPolarHBondContact CD1-O 3.32Å; Y238-V246 HydrophobicContact CD2-CB 4.18Å; Y238-V246 WeakPolarHBondContact CE1-O 3.47Å; Y238-V246 HydrophobicContact CE2-CB 3.44Å; Y238-V246 VanDerWaalsContact CE2-CB 3.44Å; Y238-V246 HydrophobicContact CE2-CG1 3.86Å; Y238-V246 WeakPolarHBondContact CE2-O 3.26Å; Y238-V246 PolarHBondContact N-O 3.19Å; Y238-V246 PolarHBondContact O-N 2.87Å; Y238-V246 VanDerWaalsContact OH-CG1 3.24Å; Y238-V246 WeakPolarHBondContact OH-CG1 3.39Å; L240-V246 HydrophobicContact CD1-CG2 3.58Å; L240-V246 HydrophobicContact CD2-CG2 4.47Å; L240-V246 HydrophobicContact CG-CG2 3.93Å
247E79.3Confident80.4Confident112 Ų11248 Ų4852%0.52325%0.253SS..EExtended strand (participates in β ladder)trans-103.7129.1173.7-169.7-176.3172.600110.1N236 T237 Y238N236-E247 HydrophobicContact CB-CG 3.94Å; N236-E247 WeakPolarHBondContact O-CA 3.49Å; T237-E247 HydrophobicContact CG2-CB 4.38Å; Y238-E247 PolarHBondContact OH-O 3.03Å
248L82.1Confident81.8Confident4 Ų445.5 Ų45.52%0.02124%0.238CC..PPolyproline II helixtrans-86.9123.8-175.3-87.7-175.9000106.5L188 T207 K211 N236 Y238 Q252 R253L188-L248 HydrophobicContact CD2-CD2 3.78Å; T207-L248 HydrophobicContact CG2-CD1 3.95Å; T207-L248 HydrophobicContact CG2-CD2 3.77Å; T207-L248 HydrophobicContact CG2-CG 4.46Å; K211-L248 HydrophobicContact CB-CD1 3.56Å; K211-L248 HydrophobicContact CG-CD1 4.05Å; N236-L248 PolarHBondContact O-N 2.93Å; Y238-L248 HydrophobicContact CD1-CG 4.16Å; Y238-L248 HydrophobicContact CE1-CB 3.56Å; Y238-L248 HydrophobicContact CE1-CD1 4.14Å; Y238-L248 HydrophobicContact CE1-CD2 4.09Å; Y238-L248 HydrophobicContact CE1-CG 3.23Å; Y238-L248 HydrophobicContact CE2-CD2 4.31Å; Y238-L248 HydrophobicContact CE2-CG 4.25Å; Y238-L248 WeakPolarHBondContact OH-CA 3.44Å; Y238-L248 WeakPolarHBondContact OH-CB 3.45Å; Y238-L248 WeakPolarHBondContact OH-CD2 3.44Å; Y238-L248 WeakPolarHBondContact OH-CG 3.4Å; Y238-L248 PolarHBondContact OH-N 3.41Å; L248-Q252 HydrophobicContact CD2-CB 3.74Å; L248-Q252 HydrophobicContact CD2-CG 4.41Å; L248-R253 HydrophobicContact CB-CG 3.96Å; L248-R253 HydrophobicContact CD1-CG 3.49Å; L248-R253 VanDerWaalsContact CD1-CG 3.49Å; L248-R253 HydrophobicContact CG-CG 4.33Å
249T84.4Confident83Confident64 Ų6444.2 Ų44.239%0.39323%0.233SC..PPolyproline II helixtrans-61154.2168.167.90000110.4M251 Q252 R253T249-M251 PolarHBondContact O-N 3.29Å; T249-Q252 PolarHBondContact O-N 2.88Å; T249-Q252 VanDerWaalsContact OG1-CG 3.24Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.3Å; T249-Q252 PolarHBondContact OG1-N 3.06Å; T249-Q252 PolarHBondContact OG1-OE1 3.34Å; T249-Q252 VanDerWaalsContact OG1-OE1 3.1Å; T249-R253 PolarHBondContact O-N 3.27Å
250P85Confident84.2Confident41 Ų4138.1 Ų38.127%0.26620%0.204SC..Hα-helixtrans-50.9-43.6172.7-29.437.2000112.8L222 R225 Q252 R253 V254L222-P250 HydrophobicContact CD2-CB 4.33Å; R225-P250 HydrophobicContact CB-CB 3.98Å; R225-P250 HydrophobicContact CB-CG 3.79Å; R225-P250 HydrophobicContact CG-CB 4.13Å; R225-P250 HydrophobicContact CG-CG 4.29Å; P250-Q252 PolarHBondContact O-N 3.29Å; P250-R253 PolarHBondContact O-N 2.96Å; P250-V254 WeakPolarHBondContact O-CG2 3.39Å; P250-V254 PolarHBondContact O-N 2.8Å; P250-V254 VanDerWaalsContact O-N 3.15Å
251M87.1Confident85.3Confident49 Ų4938.6 Ų38.624%0.24121%0.209CC..Hα-helixtrans-61.8-37.6-180-76.3-60.8-67.100113.6L222 T249 R253 V254 A255 V264 F265L222-M251 HydrophobicContact CD1-SD 4.3Å; L222-M251 HydrophobicContact CD2-CG 4.34Å; L222-M251 HydrophobicContact CD2-SD 3.74Å; T249-M251 PolarHBondContact O-N 3.29Å; M251-R253 VanDerWaalsContact C-N 3.34Å; M251-R253 PolarHBondContact O-N 3.21Å; M251-V254 CarbonylContact O-C 3.49Å; M251-V254 PolarHBondContact O-N 2.78Å; M251-V254 HydrophobicContact SD-CG2 4.23Å; M251-A255 PolarHBondContact O-N 2.82Å; M251-A255 VanDerWaalsContact O-N 3.08Å; M251-V264 HydrophobicContact CE-CG1 4.02Å; M251-F265 HydrophobicContact CE-CE1 3.86Å; M251-F265 HydrophobicContact CE-CE2 4.41Å; M251-F265 HydrophobicContact CE-CZ 3.71Å
252Q88.4Confident86.7Confident8 Ų835.2 Ų35.24%0.03719%0.187CC..Hα-helixtrans-67.1-35.6177.5-71.1159.4-2400112L184 S187 C212 L248 T249 P250 A255L184-Q252 HydrophobicContact CD2-CB 3.96Å; L184-Q252 HydrophobicContact CD2-CG 4.22Å; S187-Q252 PolarHBondContact O-NE2 2.87Å; S187-Q252 VanDerWaalsContact OG-CG 3.27Å; S187-Q252 WeakPolarHBondContact OG-CG 3.47Å; S187-Q252 PolarHBondContact OG-NE2 2.75Å; C212-Q252 PolarHBondContact SG-O 2.81Å; C212-Q252 VanDerWaalsContact SG-O 3.39Å; L248-Q252 HydrophobicContact CD2-CB 3.74Å; L248-Q252 HydrophobicContact CD2-CG 4.41Å; T249-Q252 PolarHBondContact O-N 2.88Å; T249-Q252 VanDerWaalsContact OG1-CG 3.24Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.3Å; T249-Q252 PolarHBondContact OG1-N 3.06Å; T249-Q252 PolarHBondContact OG1-OE1 3.34Å; T249-Q252 VanDerWaalsContact OG1-OE1 3.1Å; P250-Q252 PolarHBondContact O-N 3.29Å; Q252-A255 VanDerWaalsContact O-CB 3.3Å; Q252-A255 WeakPolarHBondContact O-CB 3.11Å; Q252-A255 PolarHBondContact O-N 3Å
253R88.5Confident87.7Confident21 Ų2136.8 Ų36.88%0.07919%0.191CC..Hα-helixtrans-71.1-33.6176.3-69.3-176.3-69.1-173.6-10.2112.9C212 Y213 R225 N236 L248 T249 P250 M251 A255C212-R253 CarbonylContact C-O 3.55Å; C212-R253 VanDerWaalsContact CA-O 3.24Å; C212-R253 WeakPolarHBondContact CA-O 3.44Å; Y213-R253 HydrophobicContact CD1-CB 4.46Å; Y213-R253 HydrophobicContact CE1-CB 4.02Å; Y213-R253 PolarHBondContact N-O 2.9Å; R225-R253 VanDerWaalsContact CZ-NH2 3.26Å; R225-R253 VanDerWaalsContact NH1-NH1 3.13Å; N236-R253 PolarHBondContact OD1-NH1 3.33Å; N236-R253 PolarHBondContact OD1-NH2 3.18Å; L248-R253 HydrophobicContact CB-CG 3.96Å; L248-R253 HydrophobicContact CD1-CG 3.49Å; L248-R253 VanDerWaalsContact CD1-CG 3.49Å; L248-R253 HydrophobicContact CG-CG 4.33Å; T249-R253 PolarHBondContact O-N 3.27Å; P250-R253 PolarHBondContact O-N 2.96Å; M251-R253 VanDerWaalsContact C-N 3.34Å; M251-R253 PolarHBondContact O-N 3.21Å; R253-A255 VanDerWaalsContact C-N 3.29Å
254V92.9Very high88.7Confident3 Ų338.9 Ų38.92%0.01820%0.198CC..THydrogen-bonded Turntrans-92.718.5175.6-55.10000112.5Y213 P215 L218 P250 M251 P256 E257Y213-V254 HydrophobicContact CE1-CG1 4.38Å; Y213-V254 HydrophobicContact CE2-CG1 4.24Å; P215-V254 HydrophobicContact CG-CB 4.24Å; P215-V254 HydrophobicContact CG-CG1 4.1Å; L218-V254 HydrophobicContact CD1-CG2 4.14Å; P250-V254 WeakPolarHBondContact O-CG2 3.39Å; P250-V254 PolarHBondContact O-N 2.8Å; P250-V254 VanDerWaalsContact O-N 3.15Å; M251-V254 CarbonylContact O-C 3.49Å; M251-V254 PolarHBondContact O-N 2.78Å; M251-V254 HydrophobicContact SD-CG2 4.23Å; V254-P256 VanDerWaalsContact C-N 3.26Å; V254-P256 VanDerWaalsContact O-N 3.16Å; V254-E257 WeakPolarHBondContact O-CA 3.45Å; V254-E257 WeakPolarHBondContact O-CB 3.37Å; V254-E257 PolarHBondContact O-N 2.81Å
255A94.8Very high89.5Confident0 Ų037.2 Ų37.20%019%0.185CC..G310 helixtrans-51.2-36.6177.400000114.2L180 Y183 L184 M251 Q252 R253 E257 M258L180-A255 HydrophobicContact CD2-CB 4.21Å; L180-A255 HydrophobicContact CG-CB 4.21Å; Y183-A255 HydrophobicContact CD1-CB 3.87Å; Y183-A255 HydrophobicContact CE1-CB 3.86Å; L184-A255 HydrophobicContact CD2-CB 3.89Å; L184-A255 HydrophobicContact CG-CB 4.24Å; M251-A255 PolarHBondContact O-N 2.82Å; M251-A255 VanDerWaalsContact O-N 3.08Å; Q252-A255 VanDerWaalsContact O-CB 3.3Å; Q252-A255 WeakPolarHBondContact O-CB 3.11Å; Q252-A255 PolarHBondContact O-N 3Å; R253-A255 VanDerWaalsContact C-N 3.29Å; A255-E257 PolarHBondContact O-N 3.17Å; A255-M258 VanDerWaalsContact O-CG 3.32Å; A255-M258 WeakPolarHBondContact O-CG 3.03Å; A255-M258 PolarHBondContact O-N 3.06Å; A255-M258 VanDerWaalsContact O-N 3.09Å
256P96.1Very high90.3Very high0 Ų036.5 Ų36.50%019%0.189CC..G310 helixtrans-59.4-13.2171.9-26.336000115.5L180 C212 V214 V254 M258 F259 Y304L180-P256 HydrophobicContact CD1-CB 4.21Å; L180-P256 HydrophobicContact CD1-CG 3.97Å; C212-P256 HydrophobicContact CB-CG 3.64Å; V214-P256 HydrophobicContact CG2-CB 3.58Å; V254-P256 VanDerWaalsContact C-N 3.26Å; V254-P256 VanDerWaalsContact O-N 3.16Å; P256-M258 PolarHBondContact O-N 3.09Å; P256-M258 VanDerWaalsContact O-N 3.15Å; P256-F259 HydrophobicContact CB-CD2 4.24Å; P256-F259 HydrophobicContact CB-CE2 4.31Å; P256-F259 WeakPolarHBondContact O-CD2 3.22Å; P256-F259 PolarHBondContact O-N 2.95Å; P256-F259 VanDerWaalsContact O-N 3.12Å; P256-Y304 HydrophobicContact CB-CD1 4.4Å; P256-Y304 HydrophobicContact CB-CD2 3.79Å; P256-Y304 HydrophobicContact CB-CE2 4.22Å; P256-Y304 HydrophobicContact CB-CG 3.93Å; P256-Y304 HydrophobicContact CG-CD1 3.64Å; P256-Y304 HydrophobicContact CG-CD2 3.81Å; P256-Y304 HydrophobicContact CG-CE1 3.78Å; P256-Y304 HydrophobicContact CG-CE2 3.99Å; P256-Y304 HydrophobicContact CG-CG 3.69Å
257E95.4Very high91.2Very high0 Ų036 Ų360%018%0.184CC..G310 helixtrans-59-20.4171.2-17762.7-160.400111.9P215 L218 V254 A255 F259 F260 S261 F265 R310P215-E257 WeakPolarHBondContact CD-OE2 3.48Å; P215-E257 WeakPolarHBondContact CG-OE2 3.32Å; L218-E257 HydrophobicContact CB-CG 4.19Å; L218-E257 HydrophobicContact CD1-CG 4.04Å; L218-E257 HydrophobicContact CD2-CG 4.01Å; L218-E257 HydrophobicContact CG-CG 4.28Å; V254-E257 WeakPolarHBondContact O-CA 3.45Å; V254-E257 WeakPolarHBondContact O-CB 3.37Å; V254-E257 PolarHBondContact O-N 2.81Å; A255-E257 PolarHBondContact O-N 3.17Å; E257-F259 PolarHBondContact O-N 3.04Å; E257-F260 CarbonylContact O-C 3.32Å; E257-F260 WeakPolarHBondContact O-CA 3.39Å; E257-F260 PolarHBondContact O-N 3.41Å; E257-S261 PolarHBondContact O-N 3Å; E257-S261 PolarHBondContact OE1-OG 2.8Å; E257-F265 HydrophobicContact CB-CE2 3.79Å; E257-F265 HydrophobicContact CB-CZ 4.02Å; E257-F265 HydrophobicContact CG-CE2 4.05Å; E257-R310 VanDerWaalsContact CD-NH1 3.35Å; E257-R310 IonicContact OE1-CZ 3.84Å; E257-R310 IonicContact OE1-NH1 3.83Å; E257-R310 PolarHBondContact OE1-NH1 2.96Å; E257-R310 VanDerWaalsContact OE1-NH1 3.17Å; E257-R310 IonicContact OE1-NH2 3.17Å; E257-R310 PolarHBondContact OE1-NH2 2.92Å; E257-R310 IonicContact OE2-CZ 3.97Å; E257-R310 IonicContact OE2-NH1 2.79Å; E257-R310 PolarHBondContact OE2-NH1 3.18Å; E257-R310 IonicContact OE2-NH2 2.77Å
258M95.4Very high91.8Very high0 Ų034.3 Ų34.30%018%0.183CC..G310 helixtrans-54.7-25.2172.970.2174.141.300113.7L180 Y183 A255 P256 F260 P262 F265 Q267L180-M258 HydrophobicContact CB-CE 4.18Å; L180-M258 HydrophobicContact CB-SD 3.63Å; L180-M258 HydrophobicContact CD1-SD 4.23Å; L180-M258 HydrophobicContact CG-CE 4.28Å; L180-M258 HydrophobicContact CG-SD 4.01Å; Y183-M258 HydrophobicContact CD1-CE 4.5Å; Y183-M258 HydrophobicContact CG-CE 4.21Å; A255-M258 VanDerWaalsContact O-CG 3.32Å; A255-M258 WeakPolarHBondContact O-CG 3.03Å; A255-M258 PolarHBondContact O-N 3.06Å; A255-M258 VanDerWaalsContact O-N 3.09Å; P256-M258 PolarHBondContact O-N 3.09Å; P256-M258 VanDerWaalsContact O-N 3.15Å; M258-F260 VanDerWaalsContact C-N 3.26Å; M258-F260 PolarHBondContact O-N 3.04Å; M258-P262 VanDerWaalsContact O-CA 3.24Å; M258-P262 WeakPolarHBondContact O-CA 3.12Å; M258-P262 WeakPolarHBondContact O-CB 3.44Å; M258-F265 VanDerWaalsContact CA-CD2 3.48Å; M258-F265 HydrophobicContact CB-CB 3.79Å; M258-F265 HydrophobicContact CB-CD1 4.26Å; M258-F265 HydrophobicContact CB-CD2 3.65Å; M258-F265 HydrophobicContact CB-CE2 4.28Å; M258-F265 HydrophobicContact CB-CG 3.63Å; M258-F265 HydrophobicContact CE-CB 4.16Å; M258-F265 HydrophobicContact CE-CD1 4.08Å; M258-F265 HydrophobicContact CE-CG 4.26Å; M258-Q267 HydrophobicContact CB-CG 4.4Å
259F96.7Very high92.2Very high0 Ų036.3 Ų36.30%020%0.204CC..G310 helixtrans-73-18.4175.7-58.7-51.8000113.8F175 L180 P256 E257 I272 N301 Y304 F307F175-F259 HydrophobicContact CD2-CD1 4.06Å; F175-F259 HydrophobicContact CD2-CE1 4.33Å; F175-F259 AromaticContact CE2-CD1 3.94Å; F175-F259 HydrophobicContact CE2-CD1 3.94Å; L180-F259 HydrophobicContact CD1-CE2 3.72Å; L180-F259 HydrophobicContact CD1-CZ 3.9Å; P256-F259 HydrophobicContact CB-CD2 4.24Å; P256-F259 HydrophobicContact CB-CE2 4.31Å; P256-F259 WeakPolarHBondContact O-CD2 3.22Å; P256-F259 PolarHBondContact O-N 2.95Å; P256-F259 VanDerWaalsContact O-N 3.12Å; E257-F259 PolarHBondContact O-N 3.04Å; F259-I272 HydrophobicContact CB-CD1 3.72Å; F259-I272 HydrophobicContact CB-CG1 4.22Å; F259-I272 HydrophobicContact CD1-CD1 4.08Å; F259-I272 HydrophobicContact CG-CD1 4.07Å; F259-I272 PolarHBondContact O-N 3.49Å; F259-N301 HydrophobicContact CE2-CB 3.82Å; F259-N301 HydrophobicContact CZ-CB 3.86Å; F259-N301 WeakPolarHBondContact CZ-ND2 3.2Å; F259-Y304 HydrophobicContact CE2-CD2 4.13Å; F259-Y304 AromaticContact CE2-CE2 3.93Å; F259-Y304 HydrophobicContact CE2-CE2 3.93Å; F259-F307 HydrophobicContact CB-CE2 4.18Å; F259-F307 HydrophobicContact CD2-CD2 4.49Å; F259-F307 HydrophobicContact CD2-CE2 4.07Å; F259-F307 HydrophobicContact CG-CE2 4.3Å
260F96.3Very high92.7Very high10 Ų1035.1 Ų35.14%0.04420%0.197CC..THydrogen-bonded Turntrans-112.5-31.3-177.2-63.6-86.4000112.2V214 E257 M258 S271 P273 F307 R310 L311 E314V214-F260 HydrophobicContact CB-CE2 4.33Å; V214-F260 HydrophobicContact CG1-CD2 3.73Å; V214-F260 HydrophobicContact CG1-CE2 3.41Å; V214-F260 VanDerWaalsContact CG1-CE2 3.41Å; V214-F260 HydrophobicContact CG1-CZ 4.08Å; V214-F260 HydrophobicContact CG2-CE2 3.92Å; E257-F260 CarbonylContact O-C 3.32Å; E257-F260 WeakPolarHBondContact O-CA 3.39Å; E257-F260 PolarHBondContact O-N 3.41Å; M258-F260 VanDerWaalsContact C-N 3.26Å; M258-F260 PolarHBondContact O-N 3.04Å; F260-S271 WeakPolarHBondContact O-CB 3.27Å; F260-P273 HydrophobicContact CD1-CG 3.66Å; F260-P273 HydrophobicContact CE1-CG 3.86Å; F260-F307 AromaticContact CE2-CD2 3.85Å; F260-F307 HydrophobicContact CE2-CD2 3.85Å; F260-F307 AromaticContact CE2-CE2 3.95Å; F260-F307 HydrophobicContact CE2-CE2 3.95Å; F260-F307 HydrophobicContact CE2-CG 4.45Å; F260-F307 HydrophobicContact CZ-CD2 4.06Å; F260-F307 HydrophobicContact CZ-CE2 4.07Å; F260-F307 HydrophobicContact CZ-CG 4.3Å; F260-F307 HydrophobicContact CZ-CZ 4.34Å; F260-R310 HydrophobicContact CD1-CG 3.51Å; F260-R310 HydrophobicContact CD2-CG 4.24Å; F260-R310 HydrophobicContact CE1-CB 4.08Å; F260-R310 HydrophobicContact CE1-CG 3.45Å; F260-R310 VanDerWaalsContact CE1-CG 3.45Å; F260-R310 HydrophobicContact CE2-CG 4.19Å; F260-R310 HydrophobicContact CG-CG 3.93Å; F260-R310 HydrophobicContact CZ-CB 4.07Å; F260-R310 HydrophobicContact CZ-CG 3.81Å; F260-L311 HydrophobicContact CE1-CB 4.12Å; F260-L311 HydrophobicContact CE1-CD1 4.45Å; F260-L311 HydrophobicContact CZ-CB 4.31Å; F260-E314 HydrophobicContact CD1-CG 4.29Å
261S94.3Very high93.3Very high25 Ų2534.1 Ų34.118%0.17519%0.192CC..  trans-132.762.6-179.4-54.40000111E257 Q263 V264E257-S261 PolarHBondContact O-N 3Å; E257-S261 PolarHBondContact OE1-OG 2.8Å; S261-Q263 PolarHBondContact O-N 3.47Å; S261-Q263 VanDerWaalsContact O-N 3.16Å; S261-V264 PolarHBondContact O-N 3.43Å; S261-V264 VanDerWaalsContact O-N 3.14Å
262P94.9Very high93.7Very high0 Ų031.8 Ų31.80%018%0.18CC..G310 helixtrans-58.6-32.5-171.819.1-29.5000113.7F175 M258 V264 F265 E266 Q267F175-P262 HydrophobicContact CE1-CB 4.25Å; F175-P262 HydrophobicContact CZ-CB 4.11Å; F175-P262 HydrophobicContact CZ-CG 4.32Å; M258-P262 VanDerWaalsContact O-CA 3.24Å; M258-P262 WeakPolarHBondContact O-CA 3.12Å; M258-P262 WeakPolarHBondContact O-CB 3.44Å; P262-V264 VanDerWaalsContact C-N 3.28Å; P262-V264 PolarHBondContact O-N 3.5Å; P262-F265 CarbonylContact O-C 3.43Å; P262-F265 PolarHBondContact O-N 2.9Å; P262-E266 PolarHBondContact O-N 3.37Å; P262-Q267 HydrophobicContact CB-CB 3.75Å; P262-Q267 PolarHBondContact O-N 3.48Å
263Q93.1Very high94.1Very high129 Ų12931.6 Ų31.660%0.60318%0.18SC*.G310 helixtrans-62.5-33.3-179.5-64.374.221.700112.7S261 F265 E266 G269S261-Q263 PolarHBondContact O-N 3.47Å; S261-Q263 VanDerWaalsContact O-N 3.16Å; Q263-F265 PolarHBondContact O-N 2.83Å; Q263-E266 PolarHBondContact O-N 3.01Å; Q263-G269 PolarHBondContact NE2-O 2.87Å; Q263-G269 VanDerWaalsContact NE2-O 3.14Å
264V92Very high94.4Very high79 Ų7935.4 Ų35.448%0.47919%0.194SC..G310 helixtrans-65.4-26.8177.1176.60000111.4L218 M251 S261 P262L218-V264 HydrophobicContact CD2-CG1 4.28Å; L218-V264 HydrophobicContact CD2-CG2 4.16Å; M251-V264 HydrophobicContact CE-CG1 4.02Å; S261-V264 PolarHBondContact O-N 3.43Å; S261-V264 VanDerWaalsContact O-N 3.14Å; P262-V264 VanDerWaalsContact C-N 3.28Å; P262-V264 PolarHBondContact O-N 3.5Å
265F92.5Very high94.6Very high8 Ų835.3 Ų35.34%0.03519%0.194CC..G310 helixtrans-107.316.9-178.4-64.2-94.1000112.5Y183 M251 E257 M258 P262 Q263 Q267Y183-F265 HydrophobicContact CD1-CD1 4.32Å; Y183-F265 HydrophobicContact CD1-CE1 4.46Å; Y183-F265 HydrophobicContact CD2-CD1 4.02Å; Y183-F265 HydrophobicContact CE1-CD1 4.05Å; Y183-F265 AromaticContact CE1-CE1 3.86Å; Y183-F265 HydrophobicContact CE1-CE1 3.86Å; Y183-F265 AromaticContact CE2-CD1 3.73Å; Y183-F265 HydrophobicContact CE2-CD1 3.73Å; Y183-F265 HydrophobicContact CE2-CE1 4.18Å; Y183-F265 HydrophobicContact CG-CD1 4.31Å; Y183-F265 AromaticContact CZ-CD1 3.74Å; Y183-F265 AromaticContact CZ-CE1 3.7Å; M251-F265 HydrophobicContact CE-CE1 3.86Å; M251-F265 HydrophobicContact CE-CE2 4.41Å; M251-F265 HydrophobicContact CE-CZ 3.71Å; E257-F265 HydrophobicContact CB-CE2 3.79Å; E257-F265 HydrophobicContact CB-CZ 4.02Å; E257-F265 HydrophobicContact CG-CE2 4.05Å; M258-F265 VanDerWaalsContact CA-CD2 3.48Å; M258-F265 HydrophobicContact CB-CB 3.79Å; M258-F265 HydrophobicContact CB-CD1 4.26Å; M258-F265 HydrophobicContact CB-CD2 3.65Å; M258-F265 HydrophobicContact CB-CE2 4.28Å; M258-F265 HydrophobicContact CB-CG 3.63Å; M258-F265 HydrophobicContact CE-CB 4.16Å; M258-F265 HydrophobicContact CE-CD1 4.08Å; M258-F265 HydrophobicContact CE-CG 4.26Å; P262-F265 CarbonylContact O-C 3.43Å; P262-F265 PolarHBondContact O-N 2.9Å; Q263-F265 PolarHBondContact O-N 2.83Å; F265-Q267 HydrophobicContact CB-CG 4.09Å; F265-Q267 PolarHBondContact O-N 3.24Å; F265-Q267 VanDerWaalsContact O-N 3.13Å; F265-Q267 PolarHBondContact O-NE2 3.43Å
266E92.6Very high94.7Very high169 Ų16935.5 Ų35.579%0.7920%0.195SC*.THydrogen-bonded Turntrans55.828.5179.9-56.8173.3-174.500113.1P262 Q263P262-E266 PolarHBondContact O-N 3.37Å; Q263-E266 PolarHBondContact O-N 3.01Å
267Q93.2Very high94.7Very high34 Ų3435.7 Ų35.716%0.15920%0.196CC..  trans-88.4143.5177.4-59.3-54-5500110.9F175 M258 P262 F265F175-Q267 HydrophobicContact CB-CB 4.27Å; F175-Q267 HydrophobicContact CB-CG 4.41Å; F175-Q267 HydrophobicContact CD1-CB 4.31Å; F175-Q267 HydrophobicContact CG-CB 4.17Å; M258-Q267 HydrophobicContact CB-CG 4.4Å; P262-Q267 HydrophobicContact CB-CB 3.75Å; P262-Q267 PolarHBondContact O-N 3.48Å; F265-Q267 HydrophobicContact CB-CG 4.09Å; F265-Q267 PolarHBondContact O-N 3.24Å; F265-Q267 VanDerWaalsContact O-N 3.13Å; F265-Q267 PolarHBondContact O-NE2 3.43Å
268P91.3Very high94.7Very high77 Ų7738.4 Ų38.450%0.521%0.208SC..  trans-75.7152.6-179.631.5-35.3000112.2F175F175-P268 WeakPolarHBondContact CD1-O 3.43Å; F175-P268 WeakPolarHBondContact CE1-O 3.3Å
269G90.9Very high94.7Very high46 Ų4638.4 Ų38.447%0.47421%0.208SC..SBendtrans83.5-173.9169.200000115.6Q263Q263-G269 PolarHBondContact NE2-O 2.87Å; Q263-G269 VanDerWaalsContact NE2-O 3.14Å
270P95.4Very high94.7Very high38 Ų3838.5 Ų38.525%0.24721%0.209CC..  trans-79.5164.9-178.333.3-35.9000112.1L173 F175 R274 A275L173-P270 HydrophobicContact CD2-CG 3.82Å; F175-P270 WeakPolarHBondContact CE1-O 3.37Å; F175-P270 VanDerWaalsContact CZ-O 3.31Å; F175-P270 WeakPolarHBondContact CZ-O 3.16Å; P270-R274 HydrophobicContact CB-CB 4.02Å; P270-R274 HydrophobicContact CB-CG 3.75Å; P270-A275 HydrophobicContact CG-CB 4.28Å
271S96.6Very high94.6Very high21 Ų2142 Ų4215%0.14723%0.225CC..  trans-67.2162169.367.20000112F260 R274 A275F260-S271 WeakPolarHBondContact O-CB 3.27Å; S271-R274 PolarHBondContact O-N 3.27Å; S271-R274 WeakPolarHBondContact OG-CB 3.37Å; S271-R274 PolarHBondContact OG-N 3.42Å; S271-A275 WeakPolarHBondContact O-CB 3.33Å; S271-A275 PolarHBondContact O-N 2.84Å
272I97.4Very high94.6Very high0 Ų043.7 Ų43.70%024%0.237CC..Hα-helixtrans-56.9-49.3176.7-66.5-177.7000112.1V148 T155 L173 F259 R274 A275 I276 F307 L311V148-I272 HydrophobicContact CG1-CG2 3.66Å; T155-I272 HydrophobicContact CG2-CD1 3.74Å; T155-I272 HydrophobicContact CG2-CG1 3.94Å; L173-I272 HydrophobicContact CD1-CG1 4.07Å; F259-I272 HydrophobicContact CB-CD1 3.72Å; F259-I272 HydrophobicContact CB-CG1 4.22Å; F259-I272 HydrophobicContact CD1-CD1 4.08Å; F259-I272 HydrophobicContact CG-CD1 4.07Å; F259-I272 PolarHBondContact O-N 3.49Å; I272-R274 VanDerWaalsContact C-N 3.3Å; I272-R274 PolarHBondContact O-N 3.23Å; I272-A275 PolarHBondContact O-N 3.29Å; I272-I276 HydrophobicContact CG2-CD1 3.93Å; I272-I276 WeakPolarHBondContact O-CG1 3.43Å; I272-I276 PolarHBondContact O-N 2.86Å; I272-I276 VanDerWaalsContact O-N 3.07Å; I272-F307 HydrophobicContact CD1-CE2 4.15Å; I272-F307 HydrophobicContact CD1-CZ 3.83Å; I272-L311 HydrophobicContact CG2-CD1 4.31Å
273P96Very high94.7Very high4 Ų444 Ų443%0.02624%0.239CC..Hα-helixtrans-56-46176.4-22.230.7000112F260 A275 I276 V277 L311 E314 L315F260-P273 HydrophobicContact CD1-CG 3.66Å; F260-P273 HydrophobicContact CE1-CG 3.86Å; P273-A275 PolarHBondContact O-N 3.05Å; P273-I276 WeakPolarHBondContact O-CB 3.31Å; P273-I276 PolarHBondContact O-N 2.83Å; P273-I276 VanDerWaalsContact O-N 3.14Å; P273-V277 WeakPolarHBondContact O-CG2 3.21Å; P273-V277 PolarHBondContact O-N 2.79Å; P273-L311 HydrophobicContact CB-CD1 4.19Å; P273-L311 HydrophobicContact CG-CD1 3.83Å; P273-E314 HydrophobicContact CB-CB 3.8Å; P273-E314 HydrophobicContact CB-CG 4.46Å; P273-E314 HydrophobicContact CG-CB 3.81Å; P273-E314 HydrophobicContact CG-CG 4Å; P273-L315 HydrophobicContact CB-CD2 4.37Å
274R95.4Very high94.8Very high101 Ų10144.4 Ų44.438%0.38124%0.241SC..Hα-helixtrans-62.7-41.7179.9-179.663.7-173.3172.58.9112.2P270 S271 I272 I276 V277 E278P270-R274 HydrophobicContact CB-CB 4.02Å; P270-R274 HydrophobicContact CB-CG 3.75Å; S271-R274 PolarHBondContact O-N 3.27Å; S271-R274 WeakPolarHBondContact OG-CB 3.37Å; S271-R274 PolarHBondContact OG-N 3.42Å; I272-R274 VanDerWaalsContact C-N 3.3Å; I272-R274 PolarHBondContact O-N 3.23Å; R274-I276 VanDerWaalsContact C-N 3.28Å; R274-I276 PolarHBondContact O-N 3.27Å; R274-V277 PolarHBondContact O-N 2.87Å; R274-E278 HydrophobicContact CG-CG 4.47Å; R274-E278 IonicContact CZ-OE1 3.9Å; R274-E278 IonicContact NE-OE1 3.96Å; R274-E278 PolarHBondContact NE-OE1 2.6Å; R274-E278 IonicContact NH2-OE1 2.85Å; R274-E278 PolarHBondContact NH2-OE1 3.08Å; R274-E278 WeakPolarHBondContact O-CG 3.38Å; R274-E278 PolarHBondContact O-N 3.37Å
275A97.1Very high94.8Very high1 Ų146.9 Ų46.91%0.00825%0.25CS..Hα-helixtrans-61.6-36.2175.900000112.3V157 L173 P270 S271 I272 P273 S279V157-A275 HydrophobicContact CG2-CB 4.19Å; L173-A275 HydrophobicContact CD1-CB 4.01Å; L173-A275 HydrophobicContact CD2-CB 4.08Å; L173-A275 HydrophobicContact CG-CB 4.37Å; P270-A275 HydrophobicContact CG-CB 4.28Å; S271-A275 WeakPolarHBondContact O-CB 3.33Å; S271-A275 PolarHBondContact O-N 2.84Å; I272-A275 PolarHBondContact O-N 3.29Å; P273-A275 PolarHBondContact O-N 3.05Å; A275-S279 WeakPolarHBondContact O-CB 2.94Å; A275-S279 PolarHBondContact O-N 3.39Å
276I96.6Very high94.8Very high4 Ų450.8 Ų50.82%0.02128%0.279CS..Hα-helixtrans-65.2-47.8173.9-64.4159.8000111V146 V148 V157 I272 P273 R274 S279 V280 V295 L311 L315V146-I276 HydrophobicContact CG1-CG2 4.36Å; V148-I276 HydrophobicContact CG1-CD1 4.43Å; V148-I276 HydrophobicContact CG2-CD1 3.46Å; V148-I276 VanDerWaalsContact CG2-CD1 3.46Å; V148-I276 HydrophobicContact CG2-CG1 3.61Å; V157-I276 HydrophobicContact CG1-CB 4.47Å; V157-I276 HydrophobicContact CG1-CG1 3.89Å; V157-I276 HydrophobicContact CG2-CG1 4.07Å; I272-I276 HydrophobicContact CG2-CD1 3.93Å; I272-I276 WeakPolarHBondContact O-CG1 3.43Å; I272-I276 PolarHBondContact O-N 2.86Å; I272-I276 VanDerWaalsContact O-N 3.07Å; P273-I276 WeakPolarHBondContact O-CB 3.31Å; P273-I276 PolarHBondContact O-N 2.83Å; P273-I276 VanDerWaalsContact O-N 3.14Å; R274-I276 VanDerWaalsContact C-N 3.28Å; R274-I276 PolarHBondContact O-N 3.27Å; I276-S279 WeakPolarHBondContact O-CB 3.24Å; I276-S279 PolarHBondContact O-N 2.92Å; I276-V280 WeakPolarHBondContact O-CG2 3.48Å; I276-V280 PolarHBondContact O-N 3.37Å; I276-V295 HydrophobicContact CD1-CG1 4.24Å; I276-V295 HydrophobicContact CG2-CG2 4.47Å; I276-L311 HydrophobicContact CD1-CD1 3.78Å; I276-L311 HydrophobicContact CD1-CD2 4.42Å; I276-L315 HydrophobicContact CB-CD2 4.27Å; I276-L315 HydrophobicContact CD1-CD1 4.39Å; I276-L315 HydrophobicContact CG2-CD2 4.06Å
277V95Very high94.9Very high3 Ų343.9 Ų43.92%0.01825%0.247CC..Hα-helixtrans-56.6-53.7177.1175.80000110.7P273 R274 S279 V280 E281 L315 D318 V320P273-V277 WeakPolarHBondContact O-CG2 3.21Å; P273-V277 PolarHBondContact O-N 2.79Å; R274-V277 PolarHBondContact O-N 2.87Å; V277-S279 VanDerWaalsContact C-N 3.27Å; V277-S279 PolarHBondContact O-N 3.18Å; V277-V280 PolarHBondContact O-N 3.27Å; V277-E281 HydrophobicContact CG1-CG 4.16Å; V277-E281 WeakPolarHBondContact O-CB 3.13Å; V277-E281 WeakPolarHBondContact O-CG 3.24Å; V277-E281 PolarHBondContact O-N 3.33Å; V277-L315 HydrophobicContact CG2-CD2 4.22Å; V277-D318 HydrophobicContact CG2-CB 4.37Å; V277-V320 HydrophobicContact CB-CG2 3.97Å; V277-V320 HydrophobicContact CG1-CB 4.39Å; V277-V320 HydrophobicContact CG1-CG1 4Å; V277-V320 HydrophobicContact CG1-CG2 3.47Å; V277-V320 VanDerWaalsContact CG1-CG2 3.47Å; V277-V320 HydrophobicContact CG2-CG2 3.43Å; V277-V320 VanDerWaalsContact CG2-CG2 3.43Å
278E95.4Very high94.9Very high58 Ų5845.4 Ų45.427%0.27125%0.251SS..Hα-helixtrans-62.3-35-179.2-70.2175.8177.300112.7R274 S282R274-E278 HydrophobicContact CG-CG 4.47Å; R274-E278 IonicContact CZ-OE1 3.9Å; R274-E278 IonicContact NE-OE1 3.96Å; R274-E278 PolarHBondContact NE-OE1 2.6Å; R274-E278 IonicContact NH2-OE1 2.85Å; R274-E278 PolarHBondContact NH2-OE1 3.08Å; R274-E278 WeakPolarHBondContact O-CG 3.38Å; R274-E278 PolarHBondContact O-N 3.37Å; E278-S282 PolarHBondContact O-N 3.48Å; E278-S282 VanDerWaalsContact O-N 3.15Å
279S96.7Very high94.9Very high0 Ų044 Ų440%024%0.243CC..Hα-helixtrans-63.7-49.2174.7-178.50000111.3P159 S169 A275 I276 V277 S282 C283P159-S279 WeakPolarHBondContact CD-OG 2.99Å; P159-S279 WeakPolarHBondContact CG-OG 3.24Å; S169-S279 WeakPolarHBondContact O-CB 3.33Å; S169-S279 PolarHBondContact O-OG 3.03Å; A275-S279 WeakPolarHBondContact O-CB 2.94Å; A275-S279 PolarHBondContact O-N 3.39Å; I276-S279 WeakPolarHBondContact O-CB 3.24Å; I276-S279 PolarHBondContact O-N 2.92Å; V277-S279 VanDerWaalsContact C-N 3.27Å; V277-S279 PolarHBondContact O-N 3.18Å; S279-S282 PolarHBondContact O-N 3.42Å; S279-S282 PolarHBondContact O-OG 3.47Å; S279-C283 PolarHBondContact O-SG 3.08Å; S279-C283 VanDerWaalsContact O-SG 3.37Å
280V95.4Very high95Very high1 Ų145.4 Ų45.41%0.00624%0.239CC..Hα-helixtrans-66.3-41.6177.6170.70000111.8V146 I276 V277 S282 C283 R288 V292 V320V146-V280 HydrophobicContact CG2-CG2 3.71Å; I276-V280 WeakPolarHBondContact O-CG2 3.48Å; I276-V280 PolarHBondContact O-N 3.37Å; V277-V280 PolarHBondContact O-N 3.27Å; V280-S282 PolarHBondContact O-N 2.88Å; V280-C283 VanDerWaalsContact O-CB 3.23Å; V280-C283 WeakPolarHBondContact O-CB 3.06Å; V280-C283 PolarHBondContact O-N 2.83Å; V280-R288 HydrophobicContact CG1-CB 3.74Å; V280-R288 HydrophobicContact CG1-CG 3.88Å; V280-V292 HydrophobicContact CB-CG2 4.33Å; V280-V292 HydrophobicContact CG1-CG2 3.58Å; V280-V292 HydrophobicContact CG2-CG2 4.04Å; V280-V320 HydrophobicContact CG1-CG1 4.43Å
281E94.2Very high94.9Very high83 Ų8343.6 Ų43.639%0.38823%0.227SC..Hα-helixtrans-64.1-27.4179.2-75.5179.9161.300112.6V277 C283 R288 V320V277-E281 HydrophobicContact CG1-CG 4.16Å; V277-E281 WeakPolarHBondContact O-CB 3.13Å; V277-E281 WeakPolarHBondContact O-CG 3.24Å; V277-E281 PolarHBondContact O-N 3.33Å; E281-C283 PolarHBondContact O-N 2.9Å; E281-R288 VanDerWaalsContact O-CZ 3.24Å; E281-R288 PolarHBondContact O-NH2 3.48Å; E281-V320 HydrophobicContact CG-CG1 4.25Å
282S95.9Very high94.7Very high61 Ų6143.3 Ų43.343%0.42722%0.224SC..THydrogen-bonded Turntrans-75.1-12.4172.575.30000113.9S169 E278 S279 V280S169-S282 VanDerWaalsContact CA-OG 3.27Å; S169-S282 WeakPolarHBondContact CA-OG 3.42Å; S169-S282 WeakPolarHBondContact CB-OG 3.36Å; S169-S282 PolarHBondContact OG-OG 2.86Å; E278-S282 PolarHBondContact O-N 3.48Å; E278-S282 VanDerWaalsContact O-N 3.15Å; S279-S282 PolarHBondContact O-N 3.42Å; S279-S282 PolarHBondContact O-OG 3.47Å; V280-S282 PolarHBondContact O-N 2.88Å
283C95.8Very high94.3Very high7 Ų744.5 Ų44.55%0.04723%0.232CC..SBendtrans-82.1163.2175.9-59.40000111.8L166 S169 S279 V280 E281 I285 R288 L291L166-C283 HydrophobicContact CD1-CB 4.44Å; S169-C283 VanDerWaalsContact CB-SG 3.53Å; S169-C283 PolarHBondContact OG-SG 2.55Å; S279-C283 PolarHBondContact O-SG 3.08Å; S279-C283 VanDerWaalsContact O-SG 3.37Å; V280-C283 VanDerWaalsContact O-CB 3.23Å; V280-C283 WeakPolarHBondContact O-CB 3.06Å; V280-C283 PolarHBondContact O-N 2.83Å; E281-C283 PolarHBondContact O-N 2.9Å; C283-I285 PolarHBondContact O-N 3.47Å; C283-R288 PolarHBondContact O-NE 2.94Å; C283-R288 PolarHBondContact O-NH2 3.33Å; C283-L291 HydrophobicContact CB-CD1 3.88Å
284E94.4Very high94.2Very high137 Ų13746.4 Ų46.464%0.6424%0.241SC*.  trans-54135.8171.5-65.9-177.6-174.300111.8S286 L287 R288E284-S286 PolarHBondContact O-N 2.82Å; E284-L287 HydrophobicContact CB-CD1 4.29Å; E284-L287 HydrophobicContact CB-CG 4.25Å; E284-L287 PolarHBondContact O-N 2.96Å; E284-R288 WeakPolarHBondContact O-CG 3.35Å; E284-R288 PolarHBondContact O-N 2.98Å
285I92.3Very high94.2Very high131 Ų13141.7 Ų41.767%0.67222%0.223SC*.THydrogen-bonded Turntrans-55.9-38.4-174.2-62.9171.5000111.7C283 L287 R288 P289C283-I285 PolarHBondContact O-N 3.47Å; I285-L287 VanDerWaalsContact C-N 3.26Å; I285-L287 PolarHBondContact O-N 3.27Å; I285-R288 PolarHBondContact O-N 3.21Å; I285-P289 WeakPolarHBondContact O-CD 3.46Å
286S93.8Very high94.1Very high90 Ų9041.8 Ų41.863%0.62922%0.224SC*.THydrogen-bonded Turntrans-61.4-31178.451.30000113.4E284E284-S286 PolarHBondContact O-N 2.82Å
287L93.9Very high94.1Very high24 Ų2441.7 Ų41.713%0.12622%0.223CC..THydrogen-bonded Turntrans-86.7-24.8-176.6-61.1-178.5000112.9L166 E284 I285 L290 L291L166-L287 HydrophobicContact CD1-CD1 4.25Å; E284-L287 HydrophobicContact CB-CD1 4.29Å; E284-L287 HydrophobicContact CB-CG 4.25Å; E284-L287 PolarHBondContact O-N 2.96Å; I285-L287 VanDerWaalsContact C-N 3.26Å; I285-L287 PolarHBondContact O-N 3.27Å; L287-L290 WeakPolarHBondContact O-CB 3.43Å; L287-L290 PolarHBondContact O-N 3.39Å; L287-L291 HydrophobicContact CB-CD1 4.03Å; L287-L291 HydrophobicContact CB-CG 4.38Å; L287-L291 WeakPolarHBondContact O-CG 3.24Å; L287-L291 PolarHBondContact O-N 2.89Å
288R93.7Very high94.1Very high66 Ų6641.7 Ų41.725%0.24922%0.224CC..Hα-helixtrans-55.2-46.1-172-53.7-176.3-171.11702.1114V280 E281 C283 E284 I285 L290 L291 V292V280-R288 HydrophobicContact CG1-CB 3.74Å; V280-R288 HydrophobicContact CG1-CG 3.88Å; E281-R288 VanDerWaalsContact O-CZ 3.24Å; E281-R288 PolarHBondContact O-NH2 3.48Å; C283-R288 PolarHBondContact O-NE 2.94Å; C283-R288 PolarHBondContact O-NH2 3.33Å; E284-R288 WeakPolarHBondContact O-CG 3.35Å; E284-R288 PolarHBondContact O-N 2.98Å; I285-R288 PolarHBondContact O-N 3.21Å; R288-L290 VanDerWaalsContact C-N 3.26Å; R288-L290 PolarHBondContact O-N 3.39Å; R288-L291 PolarHBondContact O-N 3.18Å; R288-V292 WeakPolarHBondContact O-CB 3.27Å; R288-V292 VanDerWaalsContact O-CG2 3.32Å; R288-V292 WeakPolarHBondContact O-CG2 3.3Å; R288-V292 PolarHBondContact O-N 3.07Å
289P91.4Very high94.1Very high49 Ų4939.3 Ų39.332%0.31822%0.215SC..Hα-helixtrans-57.2-39.7176-27.538.4000113.1I285 S293 T323I285-P289 WeakPolarHBondContact O-CD 3.46Å; P289-S293 WeakPolarHBondContact O-CB 3.32Å; P289-S293 PolarHBondContact O-N 3.37Å; P289-S293 PolarHBondContact O-OG 2.96Å; P289-S293 VanDerWaalsContact O-OG 3.08Å; P289-T323 HydrophobicContact CB-CG2 4.39Å; P289-T323 WeakPolarHBondContact CB-OG1 3.3Å
290L92.3Very high94Very high75 Ų7541.2 Ų41.239%0.39323%0.234SC..Hα-helixtrans-73.5-36.4-178.8-177.461.8000111.9T144 L287 R288 S293 H294T144-L290 HydrophobicContact CG2-CD2 3.67Å; T144-L290 HydrophobicContact CG2-CG 3.66Å; L287-L290 WeakPolarHBondContact O-CB 3.43Å; L287-L290 PolarHBondContact O-N 3.39Å; R288-L290 VanDerWaalsContact C-N 3.26Å; R288-L290 PolarHBondContact O-N 3.39Å; L290-S293 PolarHBondContact O-OG 3.27Å; L290-H294 PolarHBondContact O-ND1 3.1Å
291L94Very high94Very high0 Ų041.7 Ų41.70%024%0.236CC..Hα-helixtrans-70.1-47.4177.5-67.7171.4000111.8T144 V146 P159 F160 L166 C283 L287 R288 S293 H294T144-L291 HydrophobicContact CG2-CD2 4.06Å; V146-L291 HydrophobicContact CG2-CB 4.02Å; P159-L291 HydrophobicContact CB-CD1 4.18Å; P159-L291 HydrophobicContact CB-CD2 4.17Å; F160-L291 WeakPolarHBondContact O-CD2 3.3Å; L166-L291 HydrophobicContact CD1-CD1 4.31Å; C283-L291 HydrophobicContact CB-CD1 3.88Å; L287-L291 HydrophobicContact CB-CD1 4.03Å; L287-L291 HydrophobicContact CB-CG 4.38Å; L287-L291 WeakPolarHBondContact O-CG 3.24Å; L287-L291 PolarHBondContact O-N 2.89Å; R288-L291 PolarHBondContact O-N 3.18Å; L291-S293 VanDerWaalsContact C-N 3.27Å; L291-S293 PolarHBondContact O-N 3.21Å; L291-H294 CarbonylContact O-C 3.45Å; L291-H294 PolarHBondContact O-N 2.93Å; L291-H294 VanDerWaalsContact O-N 3.07Å
292V91.1Very high94.1Very high14 Ų1437.7 Ų37.79%0.08522%0.218CC..Hα-helixtrans-67.8-28.6-177.9173.10000112.3V280 R288 H294 A325 T326V280-V292 HydrophobicContact CB-CG2 4.33Å; V280-V292 HydrophobicContact CG1-CG2 3.58Å; V280-V292 HydrophobicContact CG2-CG2 4.04Å; R288-V292 WeakPolarHBondContact O-CB 3.27Å; R288-V292 VanDerWaalsContact O-CG2 3.32Å; R288-V292 WeakPolarHBondContact O-CG2 3.3Å; R288-V292 PolarHBondContact O-N 3.07Å; V292-H294 PolarHBondContact O-N 3.31Å; V292-A325 HydrophobicContact CG1-CB 3.55Å; V292-A325 WeakPolarHBondContact O-CA 3.37Å; V292-T326 PolarHBondContact O-N 3.49Å
293S90.6Very high94Very high25 Ų2538.3 Ų38.318%0.17522%0.216CC..THydrogen-bonded Turntrans-67.7-10.3174.356.60000113.2P289 L290 L291 T326P289-S293 WeakPolarHBondContact O-CB 3.32Å; P289-S293 PolarHBondContact O-N 3.37Å; P289-S293 PolarHBondContact O-OG 2.96Å; P289-S293 VanDerWaalsContact O-OG 3.08Å; L290-S293 PolarHBondContact O-OG 3.27Å; L291-S293 VanDerWaalsContact C-N 3.27Å; L291-S293 PolarHBondContact O-N 3.21Å; S293-T326 PolarHBondContact O-OG1 3.44Å
294H92.8Very high94Very high45 Ų4539.2 Ų39.221%0.20822%0.218CC..  trans-13979.9178.9-57.790.5000111.7L142 G145 V146 L290 L291 V292 M296 W328L142-H294 HydrophobicContact CD1-CB 4.03Å; G145-H294 CarbonylContact C-O 3.04Å; G145-H294 WeakPolarHBondContact CA-O 3.12Å; V146-H294 PolarHBondContact N-O 3.01Å; L290-H294 PolarHBondContact O-ND1 3.1Å; L291-H294 CarbonylContact O-C 3.45Å; L291-H294 PolarHBondContact O-N 2.93Å; L291-H294 VanDerWaalsContact O-N 3.07Å; V292-H294 PolarHBondContact O-N 3.31Å; H294-M296 WeakPolarHBondContact O-CE 3.39Å; H294-W328 AromaticContact CD2-CE2 3.99Å; H294-W328 AromaticContact CD2-NE1 3.54Å
295V95.5Very high94.1Very high2 Ų236.7 Ų36.71%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-96.2119.3171.8-178.60000109.2V146 V148 I276 L315 T326 V327 W328V146-V295 HydrophobicContact CB-CG2 4.45Å; V146-V295 CarbonylContact O-C 3.59Å; V146-V295 WeakPolarHBondContact O-CA 3.34Å; V148-V295 HydrophobicContact CG2-CG1 3.95Å; I276-V295 HydrophobicContact CD1-CG1 4.24Å; I276-V295 HydrophobicContact CG2-CG2 4.47Å; V295-L315 HydrophobicContact CG1-CD1 4.29Å; V295-L315 HydrophobicContact CG2-CD1 4.28Å; V295-T326 PolarHBondContact N-O 3.11Å; V295-V327 HydrophobicContact CB-CG2 4.42Å; V295-V327 CarbonylContact O-C 3.57Å; V295-V327 VanDerWaalsContact O-CA 3.31Å; V295-V327 WeakPolarHBondContact O-CA 3.47Å; V295-W328 PolarHBondContact O-N 3.03Å
296M95.8Very high94.2Very high3 Ų331.9 Ų31.92%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-104117.9-178.9-69.8148.2-78.400110.2L137 S140 L142 V146 V147 V148 H294 W328L137-M296 HydrophobicContact CD1-CE 3.5Å; L137-M296 VanDerWaalsContact CD1-CE 3.5Å; L137-M296 HydrophobicContact CD1-SD 3.59Å; L137-M296 VanDerWaalsContact CD1-SD 3.59Å; S140-M296 PolarHBondContact OG-SD 3.28Å; L142-M296 HydrophobicContact CB-SD 4.46Å; L142-M296 HydrophobicContact CD1-SD 4.03Å; V146-M296 PolarHBondContact O-N 2.91Å; V147-M296 HydrophobicContact CG2-CE 4Å; V147-M296 HydrophobicContact CG2-SD 4.29Å; V148-M296 PolarHBondContact N-O 3.23Å; H294-M296 WeakPolarHBondContact O-CE 3.39Å; M296-W328 HydrophobicContact CG-CB 4.09Å
297A96.1Very high94.3Very high1 Ų127.6 Ų27.61%0.00817%0.166CC..EExtended strand (participates in β ladder)trans-89.5118.4172.700000109.6T302 T308 V327 W328 R333A297-T302 HydrophobicContact CB-CG2 4.03Å; A297-T308 HydrophobicContact CB-CG2 4.36Å; A297-V327 HydrophobicContact CB-CG1 4.46Å; A297-W328 PolarHBondContact N-O 3.23Å; A297-R333 VanDerWaalsContact O-CD 3.25Å; A297-R333 WeakPolarHBondContact O-CD 3.26Å
298C96Very high94.3Very high4 Ų428.4 Ų28.43%0.02717%0.173CC..EExtended strand (participates in β ladder)trans-128.6160.6-176.9-64.10000110.9V148 D149 S150 T302V148-C298 PolarHBondContact O-N 3.35Å; D149-C298 WeakPolarHBondContact CA-O 3.32Å; S150-C298 PolarHBondContact N-O 3.06Å; C298-T302 WeakPolarHBondContact O-CG2 3.39Å
299G94.2Very high94.3Very high8 Ų831.7 Ų31.78%0.08219%0.189CC..SBendtrans88.9164.3178.100000113.8S150 N301 T302 R333S150-G299 CarbonylContact O-C 3.42Å; G299-N301 PolarHBondContact O-N 3.15Å; G299-T302 PolarHBondContact O-N 2.82Å; G299-T302 PolarHBondContact O-OG1 3.25Å; G299-R333 PolarHBondContact N-O 2.73Å
300G94Very high94.4Very high39 Ų3930.1 Ų30.140%0.40218%0.176SC..G310 helixtrans-61.9-38.8-167.700000114.8S150 T302 L303S150-G300 PolarHBondContact O-N 3.09Å; G300-T302 PolarHBondContact O-N 3.08Å; G300-L303 VanDerWaalsContact O-CB 3.27Å; G300-L303 WeakPolarHBondContact O-CB 3.29Å; G300-L303 WeakPolarHBondContact O-CG 3.45Å; G300-L303 PolarHBondContact O-N 3.12Å; G300-L303 VanDerWaalsContact O-N 3.11Å
301N95.8Very high94.6Very high11 Ų1126.5 Ų26.56%0.05916%0.158CC..G310 helixtrans-70.4-19.9-177.8-59.8-33.6000112.3S150 G151 G177 F259 G299 L303 Y304S150-N301 PolarHBondContact O-N 3.03Å; S150-N301 VanDerWaalsContact O-N 3.08Å; S150-N301 WeakPolarHBondContact OG-CB 3.42Å; S150-N301 PolarHBondContact OG-ND2 2.89Å; G151-N301 PolarHBondContact O-ND2 3.19Å; G177-N301 PolarHBondContact N-ND2 3.37Å; G177-N301 VanDerWaalsContact N-ND2 3.17Å; F259-N301 HydrophobicContact CE2-CB 3.82Å; F259-N301 HydrophobicContact CZ-CB 3.86Å; F259-N301 WeakPolarHBondContact CZ-ND2 3.2Å; G299-N301 PolarHBondContact O-N 3.15Å; N301-L303 PolarHBondContact O-N 3.07Å; N301-Y304 HydrophobicContact CB-CD2 4.23Å; N301-Y304 HydrophobicContact CB-CE2 4.03Å; N301-Y304 WeakPolarHBondContact O-CD2 3.31Å; N301-Y304 PolarHBondContact O-N 3.42Å
302T96.2Very high94.5Very high0 Ų030.8 Ų30.80%018%0.176CC..G310 helixtrans-73.5-4.217673.30000112.8A297 C298 G299 G300 F307 R333A297-T302 HydrophobicContact CB-CG2 4.03Å; C298-T302 WeakPolarHBondContact O-CG2 3.39Å; G299-T302 PolarHBondContact O-N 2.82Å; G299-T302 PolarHBondContact O-OG1 3.25Å; G300-T302 PolarHBondContact O-N 3.08Å; T302-F307 HydrophobicContact CG2-CD1 4.28Å; T302-F307 HydrophobicContact CG2-CE1 3.73Å; T302-F307 HydrophobicContact CG2-CZ 3.99Å; T302-R333 PolarHBondContact O-NE 3.17Å; T302-R333 PolarHBondContact O-NH2 2.97Å; T302-R333 WeakPolarHBondContact OG1-CD 3.47Å; T302-R333 PolarHBondContact OG1-NE 2.78Å
303L95.2Very high94.5Very high74 Ų7432 Ų3239%0.38719%0.192SC..G310 helixtrans-81.2-13.8173.4-63.4-178.5000113.6G300 N301 R333 N334G300-L303 VanDerWaalsContact O-CB 3.27Å; G300-L303 WeakPolarHBondContact O-CB 3.29Å; G300-L303 WeakPolarHBondContact O-CG 3.45Å; G300-L303 PolarHBondContact O-N 3.12Å; G300-L303 VanDerWaalsContact O-N 3.11Å; N301-L303 PolarHBondContact O-N 3.07Å; L303-R333 HydrophobicContact CD2-CG 3.88Å; L303-N334 HydrophobicContact CD1-CB 3.69Å; L303-N334 HydrophobicContact CG-CB 4.27Å
304Y95.5Very high94.5Very high25 Ų2534.1 Ų34.110%0.09820%0.199CC..SBendtrans-56.2133.1179.4-75.4-62.7000111.1L180 Q208 C212 P256 F259 N301 G306 F307L180-Y304 HydrophobicContact CD1-CE2 3.94Å; Q208-Y304 WeakPolarHBondContact O-CE1 3.43Å; C212-Y304 HydrophobicContact CB-CD1 4.1Å; C212-Y304 HydrophobicContact CB-CE1 3.74Å; P256-Y304 HydrophobicContact CB-CD1 4.4Å; P256-Y304 HydrophobicContact CB-CD2 3.79Å; P256-Y304 HydrophobicContact CB-CE2 4.22Å; P256-Y304 HydrophobicContact CB-CG 3.93Å; P256-Y304 HydrophobicContact CG-CD1 3.64Å; P256-Y304 HydrophobicContact CG-CD2 3.81Å; P256-Y304 HydrophobicContact CG-CE1 3.78Å; P256-Y304 HydrophobicContact CG-CE2 3.99Å; P256-Y304 HydrophobicContact CG-CG 3.69Å; F259-Y304 HydrophobicContact CE2-CD2 4.13Å; F259-Y304 AromaticContact CE2-CE2 3.93Å; F259-Y304 HydrophobicContact CE2-CE2 3.93Å; N301-Y304 HydrophobicContact CB-CD2 4.23Å; N301-Y304 HydrophobicContact CB-CE2 4.03Å; N301-Y304 WeakPolarHBondContact O-CD2 3.31Å; N301-Y304 PolarHBondContact O-N 3.42Å; Y304-G306 PolarHBondContact O-N 3.34Å; Y304-F307 WeakPolarHBondContact O-CB 3.24Å; Y304-F307 PolarHBondContact O-N 3.18Å
305P95.3Very high94.4Very high85 Ų8532.7 Ų32.755%0.55219%0.192SC*.THydrogen-bonded Turntrans-54130.4176.6-25.733.9000110.8V214 F307V214-P305 PolarHBondContact N-O 3.41Å; P305-F307 VanDerWaalsContact C-N 3.34Å; P305-F307 PolarHBondContact O-N 2.99Å
306G94.8Very high93.9Very high29 Ų2936.5 Ų36.530%0.29921%0.211SC..THydrogen-bonded Turntrans86.3-12.2-178.900000115.8Y304 T308 K309 R310Y304-G306 PolarHBondContact O-N 3.34Å; G306-T308 PolarHBondContact O-N 2.88Å; G306-K309 PolarHBondContact O-N 2.96Å; G306-R310 WeakPolarHBondContact O-CB 3.18Å; G306-R310 PolarHBondContact O-N 2.97Å
307F96.1Very high93Very high0 Ų039.1 Ų39.10%024%0.239CC..Hα-helixtrans-55.3-54.6-175.7-175.9-79.4000112.6V214 F259 F260 I272 T302 Y304 P305 K309 R310 L311V214-F307 HydrophobicContact CB-CB 4.5Å; V214-F307 HydrophobicContact CG2-CB 3.95Å; V214-F307 HydrophobicContact CG2-CD2 3.96Å; V214-F307 HydrophobicContact CG2-CG 4.42Å; F259-F307 HydrophobicContact CB-CE2 4.18Å; F259-F307 HydrophobicContact CD2-CD2 4.49Å; F259-F307 HydrophobicContact CD2-CE2 4.07Å; F259-F307 HydrophobicContact CG-CE2 4.3Å; F260-F307 AromaticContact CE2-CD2 3.85Å; F260-F307 HydrophobicContact CE2-CD2 3.85Å; F260-F307 AromaticContact CE2-CE2 3.95Å; F260-F307 HydrophobicContact CE2-CE2 3.95Å; F260-F307 HydrophobicContact CE2-CG 4.45Å; F260-F307 HydrophobicContact CZ-CD2 4.06Å; F260-F307 HydrophobicContact CZ-CE2 4.07Å; F260-F307 HydrophobicContact CZ-CG 4.3Å; F260-F307 HydrophobicContact CZ-CZ 4.34Å; I272-F307 HydrophobicContact CD1-CE2 4.15Å; I272-F307 HydrophobicContact CD1-CZ 3.83Å; T302-F307 HydrophobicContact CG2-CD1 4.28Å; T302-F307 HydrophobicContact CG2-CE1 3.73Å; T302-F307 HydrophobicContact CG2-CZ 3.99Å; Y304-F307 WeakPolarHBondContact O-CB 3.24Å; Y304-F307 PolarHBondContact O-N 3.18Å; P305-F307 VanDerWaalsContact C-N 3.34Å; P305-F307 PolarHBondContact O-N 2.99Å; F307-K309 PolarHBondContact O-N 3.3Å; F307-R310 PolarHBondContact O-N 2.95Å; F307-L311 HydrophobicContact CE1-CD2 4.1Å; F307-L311 WeakPolarHBondContact O-CB 3.47Å; F307-L311 PolarHBondContact O-N 2.86Å
308T94Very high91.7Very high42 Ų4242.5 Ų42.526%0.25826%0.257SS..Hα-helixtrans-68.2-37.3-176.353.70000112.1A297 G306 L311 F312 A329A297-T308 HydrophobicContact CB-CG2 4.36Å; G306-T308 PolarHBondContact O-N 2.88Å; T308-L311 PolarHBondContact O-N 3.23Å; T308-F312 WeakPolarHBondContact O-CB 3.44Å; T308-F312 PolarHBondContact O-N 3.29Å; T308-A329 HydrophobicContact CG2-CB 3.65Å
309K93.6Very high90Very high134 Ų13453.7 Ų53.758%0.58330%0.299SS*.Hα-helixtrans-64.7-44.9176.1-173.9-179.6172.2-1770111.2G306 F307 G313G306-K309 PolarHBondContact O-N 2.96Å; F307-K309 PolarHBondContact O-N 3.3Å; K309-G313 PolarHBondContact O-N 3.24Å
310R94.8Very high88.2Confident16 Ų1654.9 Ų54.96%0.0630%0.304CS..Hα-helixtrans-63-48.2175.3175.760.6176.8-72.7-7111V214 P215 Q216 E257 F260 G306 F307 F312 G313 E314V214-R310 HydrophobicContact CG1-CB 3.62Å; V214-R310 HydrophobicContact CG1-CG 3.78Å; P215-R310 PolarHBondContact O-NH1 2.83Å; Q216-R310 WeakPolarHBondContact O-CD 3.12Å; Q216-R310 PolarHBondContact O-NE 3.35Å; E257-R310 VanDerWaalsContact CD-NH1 3.35Å; E257-R310 IonicContact OE1-CZ 3.84Å; E257-R310 IonicContact OE1-NH1 3.83Å; E257-R310 PolarHBondContact OE1-NH1 2.96Å; E257-R310 VanDerWaalsContact OE1-NH1 3.17Å; E257-R310 IonicContact OE1-NH2 3.17Å; E257-R310 PolarHBondContact OE1-NH2 2.92Å; E257-R310 IonicContact OE2-CZ 3.97Å; E257-R310 IonicContact OE2-NH1 2.79Å; E257-R310 PolarHBondContact OE2-NH1 3.18Å; E257-R310 IonicContact OE2-NH2 2.77Å; F260-R310 HydrophobicContact CD1-CG 3.51Å; F260-R310 HydrophobicContact CD2-CG 4.24Å; F260-R310 HydrophobicContact CE1-CB 4.08Å; F260-R310 HydrophobicContact CE1-CG 3.45Å; F260-R310 VanDerWaalsContact CE1-CG 3.45Å; F260-R310 HydrophobicContact CE2-CG 4.19Å; F260-R310 HydrophobicContact CG-CG 3.93Å; F260-R310 HydrophobicContact CZ-CB 4.07Å; F260-R310 HydrophobicContact CZ-CG 3.81Å; G306-R310 WeakPolarHBondContact O-CB 3.18Å; G306-R310 PolarHBondContact O-N 2.97Å; F307-R310 PolarHBondContact O-N 2.95Å; R310-F312 VanDerWaalsContact C-N 3.32Å; R310-F312 PolarHBondContact O-N 3.39Å; R310-G313 PolarHBondContact O-N 3Å; R310-G313 VanDerWaalsContact O-N 3.11Å; R310-E314 HydrophobicContact CG-CG 4.42Å; R310-E314 IonicContact CZ-OE1 2.67Å; R310-E314 VanDerWaalsContact CZ-OE1 3.24Å; R310-E314 IonicContact NE-OE1 3.69Å; R310-E314 PolarHBondContact NE-OE1 3.15Å; R310-E314 IonicContact NH2-OE1 3.39Å; R310-E314 PolarHBondContact NH2-OE1 3.25Å; R310-E314 WeakPolarHBondContact O-CG 3.43Å; R310-E314 PolarHBondContact O-N 3.3Å
311L94.7Very high86.3Confident0 Ų054.6 Ų54.60%030%0.296CS..Hα-helixtrans-56.5-46.2177.4-179.159.9000111.9F260 I272 P273 I276 F307 T308 G313 E314 L315 V327F260-L311 HydrophobicContact CE1-CB 4.12Å; F260-L311 HydrophobicContact CE1-CD1 4.45Å; F260-L311 HydrophobicContact CZ-CB 4.31Å; I272-L311 HydrophobicContact CG2-CD1 4.31Å; P273-L311 HydrophobicContact CB-CD1 4.19Å; P273-L311 HydrophobicContact CG-CD1 3.83Å; I276-L311 HydrophobicContact CD1-CD1 3.78Å; I276-L311 HydrophobicContact CD1-CD2 4.42Å; F307-L311 HydrophobicContact CE1-CD2 4.1Å; F307-L311 WeakPolarHBondContact O-CB 3.47Å; F307-L311 PolarHBondContact O-N 2.86Å; T308-L311 PolarHBondContact O-N 3.23Å; L311-G313 PolarHBondContact O-N 3.47Å; L311-E314 PolarHBondContact O-N 2.96Å; L311-L315 HydrophobicContact CD1-CD1 3.99Å; L311-L315 HydrophobicContact CD1-CG 4.17Å; L311-L315 HydrophobicContact CG-CD1 4.01Å; L311-L315 WeakPolarHBondContact O-CB 3.23Å; L311-L315 VanDerWaalsContact O-CG 3.26Å; L311-L315 WeakPolarHBondContact O-CG 3.13Å; L311-L315 PolarHBondContact O-N 2.97Å; L311-V327 HydrophobicContact CD2-CG1 4.2Å; L311-V327 HydrophobicContact CG-CG2 4.35Å
312F92.4Very high84.5Confident90 Ų9060.5 Ų60.540%0.39534%0.338SS..Hα-helixtrans-60.6-44175.3178.4-94.7000112.2T308 R310 L315 M316 A325 V327T308-F312 WeakPolarHBondContact O-CB 3.44Å; T308-F312 PolarHBondContact O-N 3.29Å; R310-F312 VanDerWaalsContact C-N 3.32Å; R310-F312 PolarHBondContact O-N 3.39Å; F312-L315 PolarHBondContact O-N 2.66Å; F312-M316 HydrophobicContact CD1-CG 4.21Å; F312-M316 HydrophobicContact CD2-CG 4.41Å; F312-M316 HydrophobicContact CE1-CG 3.8Å; F312-M316 HydrophobicContact CE2-CG 4.03Å; F312-M316 HydrophobicContact CE2-SD 4.33Å; F312-M316 HydrophobicContact CZ-CG 3.7Å; F312-M316 HydrophobicContact CZ-SD 4.14Å; F312-M316 WeakPolarHBondContact O-CB 3.26Å; F312-M316 VanDerWaalsContact O-CG 3.27Å; F312-M316 WeakPolarHBondContact O-CG 3.42Å; F312-M316 PolarHBondContact O-N 3.07Å; F312-A325 VanDerWaalsContact CE2-O 3.3Å; F312-A325 WeakPolarHBondContact CE2-O 3.47Å; F312-V327 HydrophobicContact CB-CB 4.38Å; F312-V327 HydrophobicContact CB-CG2 3.97Å; F312-V327 HydrophobicContact CD2-CB 4.45Å; F312-V327 HydrophobicContact CD2-CG2 4.13Å
313G91.6Very high82.9Confident39 Ų3963 Ų6340%0.40235%0.353SS..Hα-helixtrans-60.2-46.1177.900000113.2K309 R310 L311 M316 G317K309-G313 PolarHBondContact O-N 3.24Å; R310-G313 PolarHBondContact O-N 3Å; R310-G313 VanDerWaalsContact O-N 3.11Å; L311-G313 PolarHBondContact O-N 3.47Å; G313-M316 PolarHBondContact O-N 3.24Å; G313-G317 PolarHBondContact O-N 3.46Å
314E91.2Very high81.9Confident69 Ų6967.3 Ų67.332%0.32237%0.369SS..Hα-helixtrans-62.1-47.7177.3-66.7-83.7-176.800111.1F260 P273 R310 L311 M316 G317 D318F260-E314 HydrophobicContact CD1-CG 4.29Å; P273-E314 HydrophobicContact CB-CB 3.8Å; P273-E314 HydrophobicContact CB-CG 4.46Å; P273-E314 HydrophobicContact CG-CB 3.81Å; P273-E314 HydrophobicContact CG-CG 4Å; R310-E314 HydrophobicContact CG-CG 4.42Å; R310-E314 IonicContact CZ-OE1 2.67Å; R310-E314 VanDerWaalsContact CZ-OE1 3.24Å; R310-E314 IonicContact NE-OE1 3.69Å; R310-E314 PolarHBondContact NE-OE1 3.15Å; R310-E314 IonicContact NH2-OE1 3.39Å; R310-E314 PolarHBondContact NH2-OE1 3.25Å; R310-E314 WeakPolarHBondContact O-CG 3.43Å; R310-E314 PolarHBondContact O-N 3.3Å; L311-E314 PolarHBondContact O-N 2.96Å; E314-M316 VanDerWaalsContact C-N 3.26Å; E314-M316 PolarHBondContact O-N 2.61Å; E314-G317 PolarHBondContact O-N 3.13Å; E314-G317 VanDerWaalsContact O-N 3.17Å; E314-D318 PolarHBondContact O-N 2.93Å
315L90.4Very high81.1Confident15 Ų1566.3 Ų66.38%0.07937%0.366CS..Hα-helixtrans-67.9-23-179.7-67.2176.2000113.9P273 I276 V277 V295 L311 F312 A325 V327P273-L315 HydrophobicContact CB-CD2 4.37Å; I276-L315 HydrophobicContact CB-CD2 4.27Å; I276-L315 HydrophobicContact CD1-CD1 4.39Å; I276-L315 HydrophobicContact CG2-CD2 4.06Å; V277-L315 HydrophobicContact CG2-CD2 4.22Å; V295-L315 HydrophobicContact CG1-CD1 4.29Å; V295-L315 HydrophobicContact CG2-CD1 4.28Å; L311-L315 HydrophobicContact CD1-CD1 3.99Å; L311-L315 HydrophobicContact CD1-CG 4.17Å; L311-L315 HydrophobicContact CG-CD1 4.01Å; L311-L315 WeakPolarHBondContact O-CB 3.23Å; L311-L315 VanDerWaalsContact O-CG 3.26Å; L311-L315 WeakPolarHBondContact O-CG 3.13Å; L311-L315 PolarHBondContact O-N 2.97Å; F312-L315 PolarHBondContact O-N 2.66Å; L315-A325 HydrophobicContact CB-CB 4.26Å; L315-V327 HydrophobicContact CD1-CG2 4.03Å
316M84.6Confident80.6Confident82 Ų8264.7 Ų64.740%0.40436%0.355SS..Hα-helixtrans-84.1-28.9173.8-74.2-63.7-57.100112.6F312 G313 E314 K324 A325F312-M316 HydrophobicContact CD1-CG 4.21Å; F312-M316 HydrophobicContact CD2-CG 4.41Å; F312-M316 HydrophobicContact CE1-CG 3.8Å; F312-M316 HydrophobicContact CE2-CG 4.03Å; F312-M316 HydrophobicContact CE2-SD 4.33Å; F312-M316 HydrophobicContact CZ-CG 3.7Å; F312-M316 HydrophobicContact CZ-SD 4.14Å; F312-M316 WeakPolarHBondContact O-CB 3.26Å; F312-M316 VanDerWaalsContact O-CG 3.27Å; F312-M316 WeakPolarHBondContact O-CG 3.42Å; F312-M316 PolarHBondContact O-N 3.07Å; G313-M316 PolarHBondContact O-N 3.24Å; E314-M316 VanDerWaalsContact C-N 3.26Å; E314-M316 PolarHBondContact O-N 2.61Å; M316-K324 HydrophobicContact CE-CG 4.44Å; M316-A325 HydrophobicContact SD-CB 4.22Å
317G77.9Confident80.1Confident59 Ų5964.8 Ų64.861%0.60835%0.35SS*.Hα-helixtrans-74.8-40.2175.300000112.1G313 E314 R319G313-G317 PolarHBondContact O-N 3.46Å; E314-G317 PolarHBondContact O-N 3.13Å; E314-G317 VanDerWaalsContact O-N 3.17Å; G317-R319 PolarHBondContact O-N 3.03Å
318D67.2Low79.5Confident71 Ų7171 Ų7138%0.3837%0.373SS..SBendtrans-73.4109.5173.4-121.7-9.1000108.7V277 E314 V320V277-D318 HydrophobicContact CG2-CB 4.37Å; E314-D318 PolarHBondContact O-N 2.93Å; D318-V320 HydrophobicContact CB-CG2 4Å; D318-V320 PolarHBondContact O-N 3.48Å
319R61.1Low79Confident239 Ų23971 Ų7190%0.90238%0.378SS*.  trans-74.649.4-174.9-62.3-175.8180-169.10.8112.7G317 S321G317-R319 PolarHBondContact O-N 3.03Å; R319-S321 PolarHBondContact O-N 2.87Å
320V56.3Low78.4Confident33 Ų3366.8 Ų66.820%0.237%0.372CS..SBendtrans-62.2-25-176.7-169.90000112.1V277 V280 E281 D318V277-V320 HydrophobicContact CB-CG2 3.97Å; V277-V320 HydrophobicContact CG1-CB 4.39Å; V277-V320 HydrophobicContact CG1-CG1 4Å; V277-V320 HydrophobicContact CG1-CG2 3.47Å; V277-V320 VanDerWaalsContact CG1-CG2 3.47Å; V277-V320 HydrophobicContact CG2-CG2 3.43Å; V277-V320 VanDerWaalsContact CG2-CG2 3.43Å; V280-V320 HydrophobicContact CG1-CG1 4.43Å; E281-V320 HydrophobicContact CG-CG1 4.25Å; D318-V320 HydrophobicContact CB-CG2 4Å; D318-V320 PolarHBondContact O-N 3.48Å
321S53.3Low77.7Confident34 Ų3470.9 Ų70.924%0.23840%0.403CS..  trans-155.2154.4175.8179.10000110.4R319 T323R319-S321 PolarHBondContact O-N 2.87Å; S321-T323 PolarHBondContact O-N 3.45Å; S321-T323 VanDerWaalsContact OG-CB 3.31Å; S321-T323 WeakPolarHBondContact OG-CB 3.27Å; S321-T323 PolarHBondContact OG-N 2.66Å; S321-T323 VanDerWaalsContact OG-N 3.07Å; S321-T323 PolarHBondContact OG-OG1 3.38Å; S321-T323 VanDerWaalsContact OG-OG1 3.07Å
322S57.8Low77.2Confident134 Ų13473 Ų7394%0.93741%0.414SS*.SBendtrans-64.6-9.616555.60000112.9
323T64.1Low77.1Confident52 Ų5270.4 Ų70.432%0.31940%0.402SS..SBendtrans-87.6132.4-179.1-49.80000110.5P289 S321 A325P289-T323 HydrophobicContact CB-CG2 4.39Å; P289-T323 WeakPolarHBondContact CB-OG1 3.3Å; S321-T323 PolarHBondContact O-N 3.45Å; S321-T323 VanDerWaalsContact OG-CB 3.31Å; S321-T323 WeakPolarHBondContact OG-CB 3.27Å; S321-T323 PolarHBondContact OG-N 2.66Å; S321-T323 VanDerWaalsContact OG-N 3.07Å; S321-T323 PolarHBondContact OG-OG1 3.38Å; S321-T323 VanDerWaalsContact OG-OG1 3.07Å; T323-A325 PolarHBondContact O-N 3.01Å
324K72.4Confident77.1Confident166 Ų16670.6 Ų70.672%0.72239%0.394SS*.PPolyproline II helixtrans-62.5119.1176.2-68.3-178.4178.5178.30110M316M316-K324 HydrophobicContact CE-CG 4.44Å
325A79.4Confident77.2Confident4 Ų468.9 Ų68.93%0.03339%0.385CS..PPolyproline II helixtrans-63.8147.4170.600000110.2V292 F312 L315 M316 T323V292-A325 HydrophobicContact CG1-CB 3.55Å; V292-A325 WeakPolarHBondContact O-CA 3.37Å; F312-A325 VanDerWaalsContact CE2-O 3.3Å; F312-A325 WeakPolarHBondContact CE2-O 3.47Å; L315-A325 HydrophobicContact CB-CB 4.26Å; M316-A325 HydrophobicContact SD-CB 4.22Å; T323-A325 PolarHBondContact O-N 3.01Å
326T84.5Confident77.5Confident51 Ų5168.8 Ų68.831%0.31339%0.386SS..  trans-130.2137.3166.982.80000110.2V292 S293 V295 W328V292-T326 PolarHBondContact O-N 3.49Å; S293-T326 PolarHBondContact O-OG1 3.44Å; V295-T326 PolarHBondContact N-O 3.11Å; T326-W328 PolarHBondContact OG1-NE1 3.18Å
327V84.9Confident78Confident31 Ų3165.4 Ų65.419%0.18837%0.369CS..EExtended strand (participates in β ladder)trans-108.2113.6179.1178.50000108.4V295 A297 L311 F312 L315V295-V327 HydrophobicContact CB-CG2 4.42Å; V295-V327 CarbonylContact O-C 3.57Å; V295-V327 VanDerWaalsContact O-CA 3.31Å; V295-V327 WeakPolarHBondContact O-CA 3.47Å; A297-V327 HydrophobicContact CB-CG1 4.46Å; L311-V327 HydrophobicContact CD2-CG1 4.2Å; L311-V327 HydrophobicContact CG-CG2 4.35Å; F312-V327 HydrophobicContact CB-CB 4.38Å; F312-V327 HydrophobicContact CB-CG2 3.97Å; F312-V327 HydrophobicContact CD2-CB 4.45Å; F312-V327 HydrophobicContact CD2-CG2 4.13Å; L315-V327 HydrophobicContact CD1-CG2 4.03Å
328W83.8Confident78.9Confident130 Ų13062.6 Ų62.649%0.49234%0.34SS..EExtended strand (participates in β ladder)trans-91.3128.6176.6-60.982.5000109.5H294 V295 M296 A297 T326H294-W328 AromaticContact CD2-CE2 3.99Å; H294-W328 AromaticContact CD2-NE1 3.54Å; V295-W328 PolarHBondContact O-N 3.03Å; M296-W328 HydrophobicContact CG-CB 4.09Å; A297-W328 PolarHBondContact N-O 3.23Å; T326-W328 PolarHBondContact OG1-NE1 3.18Å
329A83.3Confident80.3Confident43 Ų4360.8 Ų60.836%0.35533%0.331SS..  trans-136.1102.5176.800000109.2T308T308-A329 HydrophobicContact CG2-CB 3.65Å
330G80.6Confident81.9Confident44 Ų4449.4 Ų49.445%0.45429%0.288SS..  trans-64.7154.5172.400000111.7N332 R333G330-N332 VanDerWaalsContact C-N 3.3Å; G330-N332 PolarHBondContact O-N 3.15Å; G330-R333 WeakPolarHBondContact O-CB 3.38Å; G330-R333 WeakPolarHBondContact O-CD 3.45Å; G330-R333 VanDerWaalsContact O-CG 3.31Å; G330-R333 WeakPolarHBondContact O-CG 3.17Å; G330-R333 PolarHBondContact O-N 2.94Å; G330-R333 PolarHBondContact O-NH1 3.34Å
331S79.4Confident83.8Confident103 Ų10347.9 Ų47.972%0.7228%0.278SS*.THydrogen-bonded Turntrans-60.8-40.9173.949.30000111.6R333S331-R333 PolarHBondContact O-N 3.25Å
332N85.4Confident85.8Confident43 Ų4346.5 Ų46.523%0.2327%0.269CS..THydrogen-bonded Turntrans-99.732.7-178.2-66.11.1000112.4E24 G330 N334 F335 S336E24-N332 PolarHBondContact OE1-ND2 3.34Å; G330-N332 VanDerWaalsContact C-N 3.3Å; G330-N332 PolarHBondContact O-N 3.15Å; N332-N334 PolarHBondContact O-N 3.39Å; N332-N334 VanDerWaalsContact O-N 3.16Å; N332-F335 CarbonylContact O-C 3.57Å; N332-F335 WeakPolarHBondContact O-CA 3.4Å; N332-F335 PolarHBondContact O-N 3.36Å; N332-S336 PolarHBondContact O-N 3.41Å
333R90.9Very high87.4Confident37 Ų3743.3 Ų43.314%0.1424%0.244CC..G310 helixtrans-66.3-16.3-17366.4-177.3173.4-77.91.9115.2A297 G299 T302 L303 G330 S331 S336A297-R333 VanDerWaalsContact O-CD 3.25Å; A297-R333 WeakPolarHBondContact O-CD 3.26Å; G299-R333 PolarHBondContact N-O 2.73Å; T302-R333 PolarHBondContact O-NE 3.17Å; T302-R333 PolarHBondContact O-NH2 2.97Å; T302-R333 WeakPolarHBondContact OG1-CD 3.47Å; T302-R333 PolarHBondContact OG1-NE 2.78Å; L303-R333 HydrophobicContact CD2-CG 3.88Å; G330-R333 WeakPolarHBondContact O-CB 3.38Å; G330-R333 WeakPolarHBondContact O-CD 3.45Å; G330-R333 VanDerWaalsContact O-CG 3.31Å; G330-R333 WeakPolarHBondContact O-CG 3.17Å; G330-R333 PolarHBondContact O-N 2.94Å; G330-R333 PolarHBondContact O-NH1 3.34Å; S331-R333 PolarHBondContact O-N 3.25Å; R333-S336 VanDerWaalsContact CA-OG 3.32Å; R333-S336 WeakPolarHBondContact CA-OG 3.31Å; R333-S336 PolarHBondContact O-OG 3.46Å
334N90.7Very high88.7Confident43 Ų4340.8 Ų40.823%0.2323%0.228CC..G310 helixtrans-71.2-18168.359.2-50000113.4L303 N332L303-N334 HydrophobicContact CD1-CB 3.69Å; L303-N334 HydrophobicContact CG-CB 4.27Å; N332-N334 PolarHBondContact O-N 3.39Å; N332-N334 VanDerWaalsContact O-N 3.16Å
335F94.1Very high89.6Confident32 Ų3233.8 Ų33.814%0.1420%0.201CC..G310 helixtrans-115.112.8175.9-54.3-42.8000112.5K16 E24 P25 V28 N332 V337 W338 L339K16-F335 HydrophobicContact CG-CD1 4.11Å; K16-F335 HydrophobicContact CG-CE1 4.11Å; E24-F335 HydrophobicContact CG-CD2 4.46Å; P25-F335 HydrophobicContact CG-CD1 3.84Å; P25-F335 HydrophobicContact CG-CD2 4.22Å; P25-F335 HydrophobicContact CG-CE1 3.9Å; P25-F335 HydrophobicContact CG-CE2 4.27Å; P25-F335 HydrophobicContact CG-CG 4Å; P25-F335 HydrophobicContact CG-CZ 4.11Å; V28-F335 HydrophobicContact CG2-CE1 3.95Å; V28-F335 HydrophobicContact CG2-CZ 4.09Å; N332-F335 CarbonylContact O-C 3.57Å; N332-F335 WeakPolarHBondContact O-CA 3.4Å; N332-F335 PolarHBondContact O-N 3.36Å; F335-V337 VanDerWaalsContact C-N 3.27Å; F335-V337 PolarHBondContact O-N 3.05Å; F335-W338 PolarHBondContact O-N 3.07Å; F335-L339 WeakPolarHBondContact O-CB 3.03Å; F335-L339 PolarHBondContact O-N 3.43Å
336S95.4Very high89.8Confident13 Ų1339.9 Ų39.99%0.09123%0.229CC..Hα-helixtrans-51.5-43.7-178.7-79.50000113A139 N332 R333 L339 G340A139-S336 WeakPolarHBondContact CB-O 3.25Å; N332-S336 PolarHBondContact O-N 3.41Å; R333-S336 VanDerWaalsContact CA-OG 3.32Å; R333-S336 WeakPolarHBondContact CA-OG 3.31Å; R333-S336 PolarHBondContact O-OG 3.46Å; S336-L339 PolarHBondContact O-N 2.76Å; S336-G340 PolarHBondContact O-N 3.02Å
337V96.1Very high89.9Confident11 Ų1141 Ų417%0.06723%0.232CC..Hα-helixtrans-55.9-54.4175.5175.50000110.9D9 T101 Q132 M135 S136 F335 L339 G340 A341D9-V337 HydrophobicContact CB-CG1 4.27Å; T101-V337 HydrophobicContact CG2-CG1 3.61Å; Q132-V337 HydrophobicContact CB-CG1 4.02Å; Q132-V337 HydrophobicContact CB-CG2 4.12Å; Q132-V337 HydrophobicContact CG-CG1 3.79Å; M135-V337 VanDerWaalsContact CB-O 3.25Å; M135-V337 WeakPolarHBondContact CB-O 3.04Å; S136-V337 WeakPolarHBondContact OG-CG2 3.13Å; S136-V337 PolarHBondContact OG-N 3.29Å; F335-V337 VanDerWaalsContact C-N 3.27Å; F335-V337 PolarHBondContact O-N 3.05Å; V337-L339 PolarHBondContact O-N 2.93Å; V337-G340 PolarHBondContact O-N 3.37Å; V337-A341 PolarHBondContact O-N 3.07Å; V337-A341 VanDerWaalsContact O-N 3.11Å
338W97.1Very high89.9Confident0 Ų043.5 Ų43.50%025%0.251CS..Hα-helixtrans-65.1-41.2-177.7-174.893.3000111.8I7 D9 W22 E24 P25 F335 G340 A341 S342I7-W338 HydrophobicContact CD1-CZ2 4.06Å; I7-W338 HydrophobicContact CG2-CG 4.2Å; D9-W338 HydrophobicContact CB-CB 4.36Å; W22-W338 HydrophobicContact CB-CH2 3.92Å; W22-W338 WeakPolarHBondContact O-CH2 3.5Å; W22-W338 VanDerWaalsContact O-CZ3 3.24Å; W22-W338 WeakPolarHBondContact O-CZ3 3.48Å; E24-W338 WeakPolarHBondContact O-CH2 3.41Å; E24-W338 WeakPolarHBondContact O-CZ3 3.43Å; P25-W338 HydrophobicContact CB-CD2 3.95Å; P25-W338 HydrophobicContact CB-CE3 4.48Å; P25-W338 HydrophobicContact CB-CG 4.15Å; F335-W338 PolarHBondContact O-N 3.07Å; W338-G340 PolarHBondContact O-N 3.28Å; W338-A341 PolarHBondContact O-N 2.84Å; W338-S342 PolarHBondContact O-N 3.14Å
339L95.3Very high89.9Confident34 Ų3442.1 Ų42.118%0.17826%0.258CS..Hα-helixtrans-63.1-42.5177.3-179.360.1000111.6A139 F335 S336 V337 A341 S342 V343A139-L339 HydrophobicContact CB-CB 4.11Å; A139-L339 HydrophobicContact CB-CD2 4.17Å; A139-L339 HydrophobicContact CB-CG 4.13Å; F335-L339 WeakPolarHBondContact O-CB 3.03Å; F335-L339 PolarHBondContact O-N 3.43Å; S336-L339 PolarHBondContact O-N 2.76Å; V337-L339 PolarHBondContact O-N 2.93Å; L339-A341 VanDerWaalsContact C-N 3.35Å; L339-A341 PolarHBondContact O-N 2.79Å; L339-S342 VanDerWaalsContact O-CB 3.32Å; L339-S342 WeakPolarHBondContact O-CB 3.38Å; L339-S342 PolarHBondContact O-N 3.43Å; L339-S342 VanDerWaalsContact O-N 3.14Å; L339-V343 WeakPolarHBondContact O-CG2 3.41Å; L339-V343 PolarHBondContact O-N 3.31Å
340G95.1Very high90Very high0 Ų041.7 Ų41.70%025%0.247CC..Hα-helixtrans-61.5-43175.700000112.6M135 S336 V337 W338 S342 V343 V344M135-G340 VanDerWaalsContact O-CA 3.25Å; M135-G340 WeakPolarHBondContact O-CA 3.34Å; S336-G340 PolarHBondContact O-N 3.02Å; V337-G340 PolarHBondContact O-N 3.37Å; W338-G340 PolarHBondContact O-N 3.28Å; G340-S342 VanDerWaalsContact C-N 3.29Å; G340-S342 PolarHBondContact O-N 3.32Å; G340-V343 WeakPolarHBondContact O-CB 3.32Å; G340-V343 PolarHBondContact O-N 3.16Å; G340-V344 WeakPolarHBondContact O-CG2 3.48Å; G340-V344 PolarHBondContact O-N 2.77Å
341A95.9Very high90.2Very high0 Ų046.5 Ų46.50%026%0.258CS..Hα-helixtrans-62.3-36.8173.400000112.2I7 I99 T101 M135 V337 W338 L339 V344 A345I7-A341 HydrophobicContact CD1-CB 4.38Å; I7-A341 HydrophobicContact CG1-CB 4.39Å; I7-A341 HydrophobicContact CG2-CB 3.63Å; I99-A341 WeakPolarHBondContact CD1-O 3.36Å; I99-A341 HydrophobicContact CG2-CB 4.08Å; T101-A341 HydrophobicContact CG2-CB 4.35Å; M135-A341 HydrophobicContact CG-CB 4.19Å; M135-A341 HydrophobicContact SD-CB 4.18Å; V337-A341 PolarHBondContact O-N 3.07Å; V337-A341 VanDerWaalsContact O-N 3.11Å; W338-A341 PolarHBondContact O-N 2.84Å; L339-A341 VanDerWaalsContact C-N 3.35Å; L339-A341 PolarHBondContact O-N 2.79Å; A341-V344 PolarHBondContact O-N 2.94Å; A341-A345 WeakPolarHBondContact O-CB 3.34Å; A341-A345 PolarHBondContact O-N 2.78Å
342S94.9Very high90.7Very high6 Ų646.3 Ų46.34%0.04226%0.256CS..Hα-helixtrans-63.1-39.1175.1-170.30000112.8G21 W22 W338 L339 G340 H346G21-S342 PolarHBondContact N-OG 3.03Å; W22-S342 PolarHBondContact O-OG 3.14Å; W338-S342 PolarHBondContact O-N 3.14Å; L339-S342 VanDerWaalsContact O-CB 3.32Å; L339-S342 WeakPolarHBondContact O-CB 3.38Å; L339-S342 PolarHBondContact O-N 3.43Å; L339-S342 VanDerWaalsContact O-N 3.14Å; G340-S342 VanDerWaalsContact C-N 3.29Å; G340-S342 PolarHBondContact O-N 3.32Å; S342-H346 PolarHBondContact O-ND1 3.14Å
343V91.8Very high90.9Very high66 Ų6650.2 Ų50.240%0.427%0.273SS..Hα-helixtrans-66-51172.3174.40000110.4L339 G340 A345 H346 L347L339-V343 WeakPolarHBondContact O-CG2 3.41Å; L339-V343 PolarHBondContact O-N 3.31Å; G340-V343 WeakPolarHBondContact O-CB 3.32Å; G340-V343 PolarHBondContact O-N 3.16Å; V343-A345 VanDerWaalsContact C-N 3.29Å; V343-A345 PolarHBondContact O-N 3.42Å; V343-H346 PolarHBondContact O-N 3.27Å; V343-L347 HydrophobicContact CG1-CD1 4.42Å
344V91.9Very high91.1Very high0 Ų050.6 Ų50.60%028%0.275CS..Hα-helixtrans-62.4-32.9-176.1165.90000113.2L128 M135 Y138 G340 A341 H346 L347 Y350L128-V344 HydrophobicContact CD2-CG1 3.94Å; M135-V344 HydrophobicContact CE-CG2 4.01Å; M135-V344 HydrophobicContact SD-CB 4.07Å; M135-V344 HydrophobicContact SD-CG1 4.49Å; M135-V344 HydrophobicContact SD-CG2 3.73Å; Y138-V344 HydrophobicContact CD2-CG2 3.54Å; Y138-V344 HydrophobicContact CE2-CG2 4.03Å; G340-V344 WeakPolarHBondContact O-CG2 3.48Å; G340-V344 PolarHBondContact O-N 2.77Å; A341-V344 PolarHBondContact O-N 2.94Å; V344-H346 PolarHBondContact O-N 3.21Å; V344-L347 HydrophobicContact CG2-CD1 4.23Å; V344-L347 PolarHBondContact O-N 3.17Å; V344-Y350 HydrophobicContact CG1-CD1 3.48Å; V344-Y350 VanDerWaalsContact CG1-CD1 3.48Å; V344-Y350 HydrophobicContact CG1-CD2 3.65Å; V344-Y350 HydrophobicContact CG1-CE1 3.82Å; V344-Y350 HydrophobicContact CG1-CE2 3.98Å; V344-Y350 HydrophobicContact CG1-CG 3.39Å; V344-Y350 HydrophobicContact CG2-CD2 4.44Å; V344-Y350 HydrophobicContact CG2-CE2 4.17Å
345A92.1Very high91.2Very high19 Ų1951.4 Ų51.416%0.15728%0.278CS..THydrogen-bonded Turntrans-52.7-25.3177.700000114.3T5 A20 I99 A341 V343T5-A345 HydrophobicContact CG2-CB 4.35Å; A20-A345 HydrophobicContact CB-CB 3.46Å; A20-A345 VanDerWaalsContact CB-CB 3.46Å; I99-A345 HydrophobicContact CD1-CB 3.5Å; A341-A345 WeakPolarHBondContact O-CB 3.34Å; A341-A345 PolarHBondContact O-N 2.78Å; V343-A345 VanDerWaalsContact C-N 3.29Å; V343-A345 PolarHBondContact O-N 3.42Å
346H83.3Confident91.3Very high131 Ų13151.1 Ų51.161%0.60628%0.28SS*.THydrogen-bonded Turntrans-108.31.3-177-60.493.9000113.6S342 V343 V344S342-H346 PolarHBondContact O-ND1 3.14Å; V343-H346 PolarHBondContact O-N 3.27Å; V344-H346 PolarHBondContact O-N 3.21Å
347L85.7Confident91.3Very high74 Ų7455.5 Ų55.539%0.38730%0.295SS..  trans-85.2125.4-179.4-64.7-178.6000110.9V343 V344 T349 Y350V343-L347 HydrophobicContact CG1-CD1 4.42Å; V344-L347 HydrophobicContact CG2-CD1 4.23Å; V344-L347 PolarHBondContact O-N 3.17Å; L347-T349 PolarHBondContact O-N 3.09Å; L347-Y350 HydrophobicContact CB-CD2 4.37Å; L347-Y350 PolarHBondContact O-N 3.31Å; L347-Y350 VanDerWaalsContact O-N 3.11Å
348S84.4Confident91.1Very high84 Ų8461.5 Ų61.559%0.58732%0.322SS*.G310 helixtrans-60.9-29.4177.754.10000113Y350 Q351S348-Y350 PolarHBondContact O-N 2.98Å; S348-Q351 WeakPolarHBondContact O-CB 3.39Å; S348-Q351 WeakPolarHBondContact O-CG 3.42Å; S348-Q351 PolarHBondContact O-N 3.24Å; S348-Q351 VanDerWaalsContact O-N 3.14Å
349T85.1Confident91Very high102 Ų10265.6 Ų65.663%0.62634%0.341SS*.G310 helixtrans-63-21.4177.350.70000113.8L347L347-T349 PolarHBondContact O-N 3.09Å
350Y85.8Confident90.9Very high33 Ų3365 Ų6513%0.12934%0.336CS..G310 helixtrans-94.9-3.2178.8-88.2-96.2000113.3L128 Q134 Y138 V344 L347 S348 S352 E353L128-Y350 HydrophobicContact CD1-CD1 4.19Å; L128-Y350 HydrophobicContact CD2-CD1 4.11Å; Q134-Y350 PolarHBondContact OE1-OH 3.23Å; Y138-Y350 HydrophobicContact CE2-CE2 4.18Å; Y138-Y350 VanDerWaalsContact CE2-OH 3.31Å; Y138-Y350 WeakPolarHBondContact CE2-OH 3.3Å; Y138-Y350 PolarHBondContact OH-OH 3.32Å; V344-Y350 HydrophobicContact CG1-CD1 3.48Å; V344-Y350 VanDerWaalsContact CG1-CD1 3.48Å; V344-Y350 HydrophobicContact CG1-CD2 3.65Å; V344-Y350 HydrophobicContact CG1-CE1 3.82Å; V344-Y350 HydrophobicContact CG1-CE2 3.98Å; V344-Y350 HydrophobicContact CG1-CG 3.39Å; V344-Y350 HydrophobicContact CG2-CD2 4.44Å; V344-Y350 HydrophobicContact CG2-CE2 4.17Å; L347-Y350 HydrophobicContact CB-CD2 4.37Å; L347-Y350 PolarHBondContact O-N 3.31Å; L347-Y350 VanDerWaalsContact O-N 3.11Å; S348-Y350 PolarHBondContact O-N 2.98Å; Y350-S352 PolarHBondContact O-N 3.04Å; Y350-E353 HydrophobicContact CD1-CB 4.13Å; Y350-E353 HydrophobicContact CD1-CG 4.06Å; Y350-E353 HydrophobicContact CE1-CG 4.48Å; Y350-E353 WeakPolarHBondContact O-CB 3.37Å; Y350-E353 PolarHBondContact O-N 3.22Å
351Q84.8Confident90.7Very high146 Ų14666.3 Ų66.368%0.68235%0.35SS*.G310 helixtrans-57.9-35.3-178.3-73.8177.6-5.700113S348 E353S348-Q351 WeakPolarHBondContact O-CB 3.39Å; S348-Q351 WeakPolarHBondContact O-CG 3.42Å; S348-Q351 PolarHBondContact O-N 3.24Å; S348-Q351 VanDerWaalsContact O-N 3.14Å; Q351-E353 VanDerWaalsContact C-N 3.32Å
352S88Confident90.3Very high99 Ų9971.9 Ų71.969%0.69238%0.376SS*.G310 helixtrans-78.3-11.9177.755.80000114.7Y350Y350-S352 PolarHBondContact O-N 3.04Å
353E90.9Very high89.7Confident124 Ų12477.9 Ų77.958%0.57940%0.403SS*.G310 helixtrans-90-10.4179.6-59.3-64.3146.300112.1L128 Y350 Q351L128-E353 HydrophobicContact CD1-CB 3.52Å; L128-E353 WeakPolarHBondContact CD1-O 3.25Å; Y350-E353 HydrophobicContact CD1-CB 4.13Å; Y350-E353 HydrophobicContact CD1-CG 4.06Å; Y350-E353 HydrophobicContact CE1-CG 4.48Å; Y350-E353 WeakPolarHBondContact O-CB 3.37Å; Y350-E353 PolarHBondContact O-N 3.22Å; Q351-E353 VanDerWaalsContact C-N 3.32Å
354W93.8Very high89Confident45 Ų4581.7 Ų81.717%0.1741%0.41CS..PPolyproline II helixtrans-72.4135.6172.8-73.182.7000110.2T5 P97 I99 L128T5-W354 HydrophobicContact CG2-CH2 3.6Å; T5-W354 HydrophobicContact CG2-CZ2 4.21Å; P97-W354 HydrophobicContact CB-CH2 4.17Å; P97-W354 HydrophobicContact CB-CZ3 3.74Å; I99-W354 HydrophobicContact CD1-CH2 4.25Å; I99-W354 HydrophobicContact CD1-CZ2 4.01Å; I99-W354 HydrophobicContact CG1-CH2 3.55Å; I99-W354 HydrophobicContact CG1-CZ2 3.75Å; L128-W354 HydrophobicContact CB-CD2 3.83Å; L128-W354 HydrophobicContact CB-CE3 3.97Å; L128-W354 HydrophobicContact CB-CG 4.38Å; L128-W354 HydrophobicContact CB-CH2 4.15Å; L128-W354 HydrophobicContact CB-CZ2 4.02Å; L128-W354 HydrophobicContact CB-CZ3 4.13Å; L128-W354 HydrophobicContact CD2-CZ2 4.24Å
355M94.6Very high87.6Confident60 Ų6092.5 Ų92.530%0.29645%0.451SS..EExtended strand (participates in β ladder)trans-101.6124.9169.8-175.6178.2-66.800109L115 F119 S126 V127 E359 Y360L115-M355 HydrophobicContact CD1-CE 4.29Å; L115-M355 HydrophobicContact CD1-SD 4Å; L115-M355 HydrophobicContact CD2-SD 4.25Å; F119-M355 HydrophobicContact CE2-CG 4.17Å; F119-M355 HydrophobicContact CE2-SD 3.95Å; F119-M355 HydrophobicContact CZ-CB 4.41Å; F119-M355 HydrophobicContact CZ-CG 4.13Å; F119-M355 WeakPolarHBondContact CZ-O 3.23Å; S126-M355 CarbonylContact C-O 3.56Å; S126-M355 WeakPolarHBondContact CA-O 3.46Å; S126-M355 VanDerWaalsContact CB-O 3.3Å; S126-M355 WeakPolarHBondContact CB-O 3.5Å; V127-M355 PolarHBondContact N-O 3.49Å; V127-M355 PolarHBondContact O-N 3.05Å; M355-E359 WeakPolarHBondContact CA-OE2 3.49Å; M355-E359 HydrophobicContact CG-CB 4.46Å; M355-Y360 HydrophobicContact SD-CD2 4.26Å
356S95.9Very high85.5Confident27 Ų27101.7 Ų101.719%0.18949%0.493CS..EExtended strand (participates in β ladder)trans-83.5160.8171.4650000111.8E358 E359 Y360S356-E358 VanDerWaalsContact C-N 3.26Å; S356-E358 PolarHBondContact O-N 3.18Å; S356-E359 PolarHBondContact N-OE2 3.22Å; S356-E359 PolarHBondContact O-N 2.95Å; S356-E359 WeakPolarHBondContact OG-CB 3.47Å; S356-E359 WeakPolarHBondContact OG-CG 3.39Å; S356-E359 PolarHBondContact OG-N 3.06Å; S356-E359 PolarHBondContact OG-OE2 3.26Å; S356-Y360 PolarHBondContact O-N 3.17Å
357R94.1Very high85.6Confident105 Ų105100.2 Ų100.240%0.39649%0.487SS..Hα-helixtrans-64.2-33.7175.5-172.9174.4-178.8177.60.4112F119 H123 P125 G361F119-R357 HydrophobicContact CD1-CB 3.74Å; F119-R357 HydrophobicContact CD1-CG 3.9Å; F119-R357 HydrophobicContact CE1-CB 3.92Å; H123-R357 PolarHBondContact ND1-NH2 2.78Å; H123-R357 VanDerWaalsContact ND1-NH2 3.11Å; P125-R357 PolarHBondContact O-N 3.19Å; R357-G361 PolarHBondContact O-N 2.85Å
358E93.5Very high85.6Confident137 Ų137101.6 Ų101.664%0.6449%0.493SS*.Hα-helixtrans-63.1-51.9174.6-66.374.2-161.700110.8S356 Y360 G361 E362S356-E358 VanDerWaalsContact C-N 3.26Å; S356-E358 PolarHBondContact O-N 3.18Å; E358-Y360 VanDerWaalsContact C-N 3.3Å; E358-Y360 PolarHBondContact O-N 3.33Å; E358-G361 WeakPolarHBondContact O-CA 3.44Å; E358-G361 PolarHBondContact O-N 3.42Å; E358-E362 PolarHBondContact O-N 2.95Å
359E93.6Very high85.7Confident86 Ų86102.6 Ų102.640%0.40249%0.487SS..Hα-helixtrans-57.7-43.4176.7-74.6163.1165.400111.4M355 S356 G361 E362 H363M355-E359 WeakPolarHBondContact CA-OE2 3.49Å; M355-E359 HydrophobicContact CG-CB 4.46Å; S356-E359 PolarHBondContact N-OE2 3.22Å; S356-E359 PolarHBondContact O-N 2.95Å; S356-E359 WeakPolarHBondContact OG-CB 3.47Å; S356-E359 WeakPolarHBondContact OG-CG 3.39Å; S356-E359 PolarHBondContact OG-N 3.06Å; S356-E359 PolarHBondContact OG-OE2 3.26Å; E359-G361 VanDerWaalsContact C-N 3.3Å; E359-G361 PolarHBondContact O-N 3.09Å; E359-E362 PolarHBondContact O-N 3.48Å; E359-H363 PolarHBondContact O-N 3.36Å; E359-H363 PolarHBondContact O-ND1 2.94Å
360Y93.9Very high85.8Confident21 Ų21102.6 Ų102.68%0.08248%0.479CS..Hα-helixtrans-57.9-42.9174.9175.7-103.1000112.4L115 E116 F119 E120 M355 S356 E358 E362 H363 R364L115-Y360 HydrophobicContact CB-CD2 4.14Å; L115-Y360 HydrophobicContact CB-CE2 3.67Å; E116-Y360 WeakPolarHBondContact CA-OH 3.43Å; F119-Y360 HydrophobicContact CB-CD1 3.76Å; F119-Y360 HydrophobicContact CB-CE1 3.95Å; F119-Y360 HydrophobicContact CB-CG 4.32Å; F119-Y360 AromaticContact CD2-CD1 3.75Å; F119-Y360 HydrophobicContact CD2-CD1 3.75Å; F119-Y360 AromaticContact CD2-CD2 3.65Å; F119-Y360 HydrophobicContact CD2-CD2 3.65Å; F119-Y360 HydrophobicContact CD2-CE1 4.28Å; F119-Y360 HydrophobicContact CD2-CE2 4.19Å; F119-Y360 AromaticContact CD2-CG 3.4Å; F119-Y360 HydrophobicContact CD2-CG 3.4Å; F119-Y360 HydrophobicContact CE2-CD2 4.01Å; F119-Y360 AromaticContact CE2-CG 3.86Å; F119-Y360 HydrophobicContact CE2-CG 3.86Å; F119-Y360 AromaticContact CG-CD1 3.95Å; F119-Y360 HydrophobicContact CG-CD1 3.95Å; F119-Y360 HydrophobicContact CG-CE1 4.49Å; F119-Y360 HydrophobicContact CG-CG 4.02Å; E120-Y360 HydrophobicContact CG-CE1 4.07Å; E120-Y360 PolarHBondContact OE1-OH 2.94Å; M355-Y360 HydrophobicContact SD-CD2 4.26Å; S356-Y360 PolarHBondContact O-N 3.17Å; E358-Y360 VanDerWaalsContact C-N 3.3Å; E358-Y360 PolarHBondContact O-N 3.33Å; Y360-E362 PolarHBondContact O-N 3.05Å; Y360-H363 PolarHBondContact O-N 2.87Å; Y360-R364 HydrophobicContact CE1-CG 4.28Å; Y360-R364 HydrophobicContact CE2-CG 4.43Å; Y360-R364 PolarHBondContact O-N 3.21Å
361G90.2Very high85.7Confident27 Ų27106.9 Ų106.928%0.27850%0.501SS..Hα-helixtrans-64.3-36.9178.400000113.4R357 E358 E359 R365R357-G361 PolarHBondContact O-N 2.85Å; E358-G361 WeakPolarHBondContact O-CA 3.44Å; E358-G361 PolarHBondContact O-N 3.42Å; E359-G361 VanDerWaalsContact C-N 3.3Å; E359-G361 PolarHBondContact O-N 3.09Å; G361-R365 WeakPolarHBondContact O-CG 3.3Å
362E89.1Confident85.8Confident118 Ų118104.3 Ų104.355%0.55149%0.489SS*.Hα-helixtrans-68.9-44.9176.1-68.1-178.6169.600112E358 E359 Y360 R364 R365 M366E358-E362 PolarHBondContact O-N 2.95Å; E359-E362 PolarHBondContact O-N 3.48Å; Y360-E362 PolarHBondContact O-N 3.05Å; E362-R364 PolarHBondContact O-N 3.41Å; E362-R365 PolarHBondContact O-N 3.33Å; E362-M366 PolarHBondContact O-N 2.94Å
363H81.7Confident85.7Confident132 Ų132104.7 Ų104.761%0.61147%0.474SS*.Hα-helixtrans-63.9-23.8177.8-75.282.7000113.6E359 Y360E359-H363 PolarHBondContact O-N 3.36Å; E359-H363 PolarHBondContact O-ND1 2.94Å; Y360-H363 PolarHBondContact O-N 2.87Å
364R77.3Confident85.3Confident146 Ų146103.2 Ų103.255%0.55147%0.466SS*.THydrogen-bonded Turntrans-78.4-20.2173.2-79.2-164.871.2-172.94.9113.9E120 Y360 E362E120-R364 IonicContact OE1-CZ 3.63Å; E120-R364 IonicContact OE1-NE 3.44Å; E120-R364 IonicContact OE1-NH1 2.56Å; E120-R364 PolarHBondContact OE1-NH1 2.88Å; E120-R364 IonicContact OE2-CZ 3Å; E120-R364 IonicContact OE2-NH1 2.91Å; E120-R364 PolarHBondContact OE2-NH1 3.02Å; Y360-R364 HydrophobicContact CE1-CG 4.28Å; Y360-R364 HydrophobicContact CE2-CG 4.43Å; Y360-R364 PolarHBondContact O-N 3.21Å; E362-R364 PolarHBondContact O-N 3.41Å
365R61.9Low84.5Confident227 Ų227108.1 Ų108.186%0.85749%0.491SS*.THydrogen-bonded Turntrans-91.5-20.3-176.8-71175179.5178.72112.7G361 E362G361-R365 WeakPolarHBondContact O-CG 3.3Å; E362-R365 PolarHBondContact O-N 3.33Å
366M48.8Very low83.6Confident211 Ų211112.5 Ų112.5100%1.03951%0.509SS*.  trans-84.70166.4-59.4-172.8-172.200109.9E362E362-M366 PolarHBondContact O-N 2.94Å

Retrieved 366 of 366 residues in 68.2 ms (Link to these results)

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