A0A087XV90_POEFO Loading...

Leucine rich repeat containing 1

AlphaFold DB , UniProt , Accession A0A087XV90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 522 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
1M42.3Very low42.1Very low232 Ų232169.3 Ų169.3100%1.14384%0.835SS**  095.50-176.2-175.9-80.200107.4
2F29.2Very low44Very low210 Ų210170.6 Ų170.692%0.92182%0.824SS**  trans-169105.9149.9-91.3-66.4000105.1C4F2-C4 PolarHBondContact O-N 2.78Å
3H39.8Very low47.1Very low184 Ų184167.3 Ų167.385%0.85281%0.806SS**  trans-67.1118.9175.1-81.8-64.3000108.9I5H3-I5 VanDerWaalsContact C-N 3.34Å; H3-I5 PolarHBondContact O-N 2.94Å
4C34.2Very low50.1Low130 Ų130157.6 Ų157.688%0.87876%0.762SS**  trans-66.9100.4157-80.60000107.7F2 P6F2-C4 PolarHBondContact O-N 2.78Å; C4-P6 WeakPolarHBondContact O-CD 3.45Å
5I41.5Very low53.1Low134 Ų134153.5 Ų153.569%0.68774%0.741SS**  trans-66.4121.6160.2-59.4168.1000105.9H3 L7H3-I5 VanDerWaalsContact C-N 3.34Å; H3-I5 PolarHBondContact O-N 2.94Å; I5-L7 HydrophobicContact CG2-CG 4.49Å; I5-L7 PolarHBondContact O-N 2.87Å
6P39.7Very low55.9Low120 Ų120148.2 Ų148.278%0.77972%0.721SS**  trans-72.190.1162.629.5-27.6000107C4C4-P6 WeakPolarHBondContact O-CD 3.45Å
7L43.1Very low58.3Low142 Ų142140.6 Ų140.674%0.74369%0.685SS**  trans-54.6156.9146.6-72.1157.4000106.7I5I5-L7 HydrophobicContact CG2-CG 4.49Å; I5-L7 PolarHBondContact O-N 2.87Å
8W45.8Very low60.5Low243 Ų243137.2 Ų137.292%0.9267%0.67SS**  trans98.141.7-171.7-56.459.1000115.2
9R45.5Very low62.4Low236 Ų236134.5 Ų134.589%0.89165%0.654SS**  trans-98.973.8143.3-75.9-171.5-179.8-176.10.1108.6N11R9-N11 VanDerWaalsContact C-N 3.33Å; R9-N11 PolarHBondContact O-N 2.93Å; R9-N11 VanDerWaalsContact O-N 3.09Å
10C48.6Very low64.2Low95 Ų95132.8 Ų132.864%0.64264%0.641SS**  trans-70.399.2160.6-65.90000106.1R12C10-R12 HydrophobicContact CB-CG 4.2Å; C10-R12 PolarHBondContact O-N 2.9Å
11N53.8Low65.7Low136 Ų136133.3 Ų133.373%0.72764%0.642SS**  trans-62.883.5156.9-84.8-4.9000105.9R9 H13R9-N11 VanDerWaalsContact C-N 3.33Å; R9-N11 PolarHBondContact O-N 2.93Å; R9-N11 VanDerWaalsContact O-N 3.09Å; N11-H13 PolarHBondContact O-N 3.17Å
12R64.8Low68.3Low185 Ų185124.8 Ų124.870%0.69860%0.604SS**  trans-64.1120.4170.2-75.4-174.7177.3-179.6-1.1105.7C10 V14 Y34C10-R12 HydrophobicContact CB-CG 4.2Å; C10-R12 PolarHBondContact O-N 2.9Å; R12-V14 HydrophobicContact CB-CG2 4.3Å; R12-V14 PolarHBondContact O-N 3.45Å; R12-Y34 WeakPolarHBondContact O-CD1 3.39Å
13H83.7Confident71.5Confident128 Ų128119.6 Ų119.659%0.59359%0.59SS**  trans-66.3112.5170.8-171.777.3000107.1N11 E15 S37N11-H13 PolarHBondContact O-N 3.17Å; H13-E15 IonicContact CD2-OE1 2.75Å; H13-E15 PolarHBondContact CD2-OE1 3.44Å; H13-E15 IonicContact CE1-OE1 3.37Å; H13-E15 VanDerWaalsContact NE2-CG 3.3Å; H13-E15 WeakPolarHBondContact NE2-CG 3.38Å; H13-E15 IonicContact NE2-OE1 2.73Å; H13-E15 PolarHBondContact NE2-OE1 3.07Å; H13-S37 VanDerWaalsContact ND1-CB 3.34Å; H13-S37 WeakPolarHBondContact ND1-CB 3.48Å
14V89.5Confident74.2Confident32 Ų32112.2 Ų112.219%0.19456%0.557CS.*  trans-124.6117178.5177.50000106.6R12 T16 I17 Y34 S37 L38R12-V14 HydrophobicContact CB-CG2 4.3Å; R12-V14 PolarHBondContact O-N 3.45Å; V14-T16 WeakPolarHBondContact CG1-O 3.45Å; V14-I17 HydrophobicContact CG1-CD1 4.31Å; V14-I17 HydrophobicContact CG1-CG1 3.79Å; V14-Y34 HydrophobicContact CB-CD1 3.63Å; V14-Y34 HydrophobicContact CB-CD2 4.47Å; V14-Y34 HydrophobicContact CB-CE1 3.99Å; V14-Y34 HydrophobicContact CB-CG 3.88Å; V14-Y34 HydrophobicContact CG1-CG 4.49Å; V14-Y34 HydrophobicContact CG2-CD1 3.59Å; V14-Y34 HydrophobicContact CG2-CE1 3.42Å; V14-Y34 VanDerWaalsContact CG2-CE1 3.42Å; V14-Y34 HydrophobicContact CG2-CG 4.25Å; V14-S37 PolarHBondContact N-OG 2.74Å; V14-S37 CarbonylContact O-C 3.56Å; V14-S37 VanDerWaalsContact O-C 3.24Å; V14-S37 WeakPolarHBondContact O-CB 3.44Å; V14-S37 PolarHBondContact O-OG 3.29Å; V14-L38 HydrophobicContact CG1-CD1 4.39Å; V14-L38 WeakPolarHBondContact O-CA 3.33Å; V14-L38 PolarHBondContact O-N 2.97Å
15E94.9Very high77.2Confident96 Ų96110.9 Ų110.945%0.44954%0.541SS..  trans-95.6-32.7-178.6-66.4171.7170.700111.3H13 E39 E40H13-E15 IonicContact CD2-OE1 2.75Å; H13-E15 PolarHBondContact CD2-OE1 3.44Å; H13-E15 IonicContact CE1-OE1 3.37Å; H13-E15 VanDerWaalsContact NE2-CG 3.3Å; H13-E15 WeakPolarHBondContact NE2-CG 3.38Å; H13-E15 IonicContact NE2-OE1 2.73Å; H13-E15 PolarHBondContact NE2-OE1 3.07Å; E15-E39 CarbonylContact O-C 3.18Å; E15-E39 WeakPolarHBondContact O-CA 3.26Å; E15-E39 PolarHBondContact O-N 2.89Å; E15-E40 PolarHBondContact O-N 2.81Å
16T97.5Very high79.8Confident68 Ų68112.4 Ų112.442%0.41754%0.539SS..EExtended strand (participates in β ladder)trans-126.3133.9-178.2-55.40000111V14 E40V14-T16 WeakPolarHBondContact CG1-O 3.45Å; T16-E40 WeakPolarHBondContact CA-O 3.48Å; T16-E40 HydrophobicContact CG2-CB 3.91Å; T16-E40 WeakPolarHBondContact CG2-OE2 3.35Å; T16-E40 PolarHBondContact OG1-OE2 3.13Å
17I97.6Very high82.5Confident20 Ų20106.9 Ų106.910%0.10350%0.503CS..EExtended strand (participates in β ladder)trans-124.7119.1168.4-69.4172.8000108.7V14 K19 I31 Y34 L38 E40 L41 M42V14-I17 HydrophobicContact CG1-CD1 4.31Å; V14-I17 HydrophobicContact CG1-CG1 3.79Å; I17-K19 HydrophobicContact CG2-CG 3.76Å; I17-I31 HydrophobicContact CD1-CB 4.43Å; I17-I31 HydrophobicContact CD1-CG1 4.13Å; I17-I31 HydrophobicContact CD1-CG2 4.27Å; I17-I31 HydrophobicContact CG2-CG1 4.45Å; I17-Y34 HydrophobicContact CD1-CD2 3.64Å; I17-Y34 HydrophobicContact CD1-CE2 4.11Å; I17-L38 HydrophobicContact CB-CD1 4Å; I17-L38 HydrophobicContact CD1-CD1 3.62Å; I17-L38 HydrophobicContact CD1-CD2 4.02Å; I17-L38 HydrophobicContact CG1-CD1 3.55Å; I17-E40 PolarHBondContact N-O 3.31Å; I17-L41 HydrophobicContact CB-CD1 4.03Å; I17-L41 HydrophobicContact CG2-CD1 3.92Å; I17-M42 PolarHBondContact O-N 2.91Å
18D97.6Very high85Confident79 Ų79101.3 Ų101.342%0.42248%0.475SS..EExtended strand (participates in β ladder)trans-106.4119.1171-170.5-12.3000109.9R20D18-R20 WeakPolarHBondContact OD1-CB 3.48Å; D18-R20 VanDerWaalsContact OD1-CG 3.29Å; D18-R20 WeakPolarHBondContact OD1-CG 3.45Å; D18-R20 IonicContact OD1-CZ 2.84Å; D18-R20 PolarHBondContact OD1-N 3.1Å; D18-R20 IonicContact OD1-NE 2.72Å; D18-R20 PolarHBondContact OD1-NE 2.88Å; D18-R20 IonicContact OD2-CZ 3.58Å; D18-R20 IonicContact OD2-NE 2.72Å; D18-R20 PolarHBondContact OD2-NE 3.49Å; D18-R20 VanDerWaalsContact OD2-NE 3.15Å; D18-R20 IonicContact OD2-NH2 2.68Å; D18-R20 PolarHBondContact OD2-NH2 2.85Å
19K97.2Very high87.3Confident86 Ų8695.6 Ų95.637%0.37446%0.463SS..  trans-134.231.4178.5-74.2-64.9-173.7-179.40110.9I17 C22 L24 M42 L43 N46I17-K19 HydrophobicContact CG2-CG 3.76Å; K19-C22 WeakPolarHBondContact O-CB 3.47Å; K19-L24 HydrophobicContact CB-CD1 3.9Å; K19-M42 CarbonylContact C-O 3.49Å; K19-M42 WeakPolarHBondContact CA-O 3.43Å; K19-M42 PolarHBondContact N-O 3.24Å; K19-L43 HydrophobicContact CB-CD2 3.84Å; K19-N46 PolarHBondContact O-ND2 2.99Å
20R97.4Very high89.6Confident100 Ų10090 Ų9038%0.37745%0.447SS..THydrogen-bonded Turntrans-65.5150.9172.8-64.7178.5-74.4178.5-1.4111.7D18 C22 M42 D44D18-R20 WeakPolarHBondContact OD1-CB 3.48Å; D18-R20 VanDerWaalsContact OD1-CG 3.29Å; D18-R20 WeakPolarHBondContact OD1-CG 3.45Å; D18-R20 IonicContact OD1-CZ 2.84Å; D18-R20 PolarHBondContact OD1-N 3.1Å; D18-R20 IonicContact OD1-NE 2.72Å; D18-R20 PolarHBondContact OD1-NE 2.88Å; D18-R20 IonicContact OD2-CZ 3.58Å; D18-R20 IonicContact OD2-NE 2.72Å; D18-R20 PolarHBondContact OD2-NE 3.49Å; D18-R20 VanDerWaalsContact OD2-NE 3.15Å; D18-R20 IonicContact OD2-NH2 2.68Å; D18-R20 PolarHBondContact OD2-NH2 2.85Å; R20-C22 PolarHBondContact O-N 2.8Å; R20-C22 PolarHBondContact O-SG 3.31Å; R20-M42 HydrophobicContact CG-CB 3.9Å; R20-M42 VanDerWaalsContact NH1-CE 3.35Å; R20-D44 CarbonylContact C-O 3.5Å; R20-D44 WeakPolarHBondContact CA-O 3.22Å; R20-D44 WeakPolarHBondContact CD-OD2 3.2Å; R20-D44 HydrophobicContact CG-CB 3.8Å; R20-D44 WeakPolarHBondContact CG-OD2 3.36Å
21H96.4Very high91.8Very high144 Ų14485.7 Ų85.767%0.66742%0.417SS*.THydrogen-bonded Turntrans53.431.5175.2-53.7-77000114.2D44 A45H21-D44 PolarHBondContact N-O 3.3Å; H21-A45 VanDerWaalsContact CA-O 3.3Å; H21-A45 WeakPolarHBondContact CA-O 3.24Å; H21-A45 WeakPolarHBondContact CE1-CB 3.48Å; H21-A45 PolarHBondContact N-O 2.62Å; H21-A45 WeakPolarHBondContact ND1-CB 3.43Å
22C96.6Very high93.7Very high52 Ų5281.5 Ų81.535%0.35139%0.392SS..SBendtrans-98.44.5-174.2-77.30000113.1K19 R20 L24 N46K19-C22 WeakPolarHBondContact O-CB 3.47Å; R20-C22 PolarHBondContact O-N 2.8Å; R20-C22 PolarHBondContact O-SG 3.31Å; C22-L24 HydrophobicContact CB-CD1 4.16Å; C22-L24 HydrophobicContact CB-CD2 4.14Å; C22-L24 HydrophobicContact CB-CG 3.72Å; C22-L24 PolarHBondContact O-N 3.06Å; C22-N46 WeakPolarHBondContact CA-OD1 3.42Å; C22-N46 PolarHBondContact N-OD1 2.94Å
23T96.1Very high95Very high101 Ų10181.4 Ų81.462%0.6239%0.391SS*.  trans54.934.1-17661.60000113N25 N46T23-N25 PolarHBondContact O-N 3.19Å; T23-N25 PolarHBondContact O-ND2 3.15Å; T23-N46 PolarHBondContact N-OD1 3.41Å
24L96.9Very high95.5Very high30 Ų3078.5 Ų78.516%0.15738%0.376CS..  trans-71.6129.2-178.3-62.3177000110.6K19 C22 P28 L43 N46 Q47 L48K19-L24 HydrophobicContact CB-CD1 3.9Å; C22-L24 HydrophobicContact CB-CD1 4.16Å; C22-L24 HydrophobicContact CB-CD2 4.14Å; C22-L24 HydrophobicContact CB-CG 3.72Å; C22-L24 PolarHBondContact O-N 3.06Å; L24-P28 HydrophobicContact CD1-CG 4.03Å; L24-P28 HydrophobicContact CD2-CG 3.97Å; L24-L43 HydrophobicContact CD1-CD2 4.01Å; L24-N46 HydrophobicContact CB-CB 4.08Å; L24-N46 WeakPolarHBondContact CB-OD1 3.45Å; L24-N46 WeakPolarHBondContact CG-OD1 3.44Å; L24-N46 PolarHBondContact N-OD1 3.2Å; L24-Q47 CarbonylContact O-C 3.1Å; L24-Q47 VanDerWaalsContact O-C 3.25Å; L24-Q47 VanDerWaalsContact O-CA 3.32Å; L24-Q47 WeakPolarHBondContact O-CA 3.03Å; L24-Q47 WeakPolarHBondContact O-CB 3Å; L24-Q47 PolarHBondContact O-N 2.7Å; L24-L48 HydrophobicContact CB-CD2 4.02Å; L24-L48 PolarHBondContact O-N 3.09Å
25N96.9Very high95.7Very high102 Ų10278.7 Ų78.755%0.54538%0.38SS..SBendtrans-91.4-18173.6-71.8-97.4000112.3T23T23-N25 PolarHBondContact O-N 3.19Å; T23-N25 PolarHBondContact O-ND2 3.15Å
26Y96.7Very high95.5Very high165 Ų16584.9 Ų84.965%0.64740%0.4SS*.SBendtrans-151.8157.3178.655.5-90.7000109.7P28 L48Y26-P28 VanDerWaalsContact O-CD 3.28Å; Y26-P28 WeakPolarHBondContact O-CD 3.42Å; Y26-L48 VanDerWaalsContact CA-CD2 3.49Å
27V96.8Very high95.4Very high5 Ų582.2 Ų82.23%0.0338%0.384CS..  trans-66.4121.4175.6-178.90000109.4D29 I31 L43 L48 L51 P52 L55V27-D29 PolarHBondContact O-N 3.18Å; V27-I31 HydrophobicContact CG1-CD1 3.68Å; V27-L43 HydrophobicContact CG1-CD1 4.37Å; V27-L43 HydrophobicContact CG2-CD1 4.12Å; V27-L48 HydrophobicContact CG2-CD1 4.18Å; V27-L48 HydrophobicContact CG2-CD2 4.34Å; V27-L51 HydrophobicContact CG2-CD2 4.45Å; V27-P52 HydrophobicContact CB-CG 3.95Å; V27-P52 HydrophobicContact CG2-CG 4.16Å; V27-L55 HydrophobicContact CG1-CD1 4.3Å; V27-L55 HydrophobicContact CG2-CD1 4.18Å
28P95.3Very high95.4Very high24 Ų2481.2 Ų81.216%0.15638%0.379CS..  trans-63.6130.5-177.1-2634.5000114L24 Y26 E30 I31L24-P28 HydrophobicContact CD1-CG 4.03Å; L24-P28 HydrophobicContact CD2-CG 3.97Å; Y26-P28 VanDerWaalsContact O-CD 3.28Å; Y26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-E30 PolarHBondContact O-N 3.21Å; P28-I31 HydrophobicContact CB-CD1 4.35Å; P28-I31 HydrophobicContact CG-CD1 4.37Å; P28-I31 WeakPolarHBondContact O-CB 3.44Å; P28-I31 WeakPolarHBondContact O-CG1 3.22Å; P28-I31 PolarHBondContact O-N 3.47Å
29D94Very high95.5Very high123 Ų12380.2 Ų80.266%0.65837%0.372SS*.G310 helixtrans-56.8-23.5178.8-74-23.3000114.3V27 I31 Y32V27-D29 PolarHBondContact O-N 3.18Å; D29-I31 PolarHBondContact O-N 2.84Å; D29-Y32 HydrophobicContact CB-CD2 4.36Å; D29-Y32 WeakPolarHBondContact O-CD2 3.26Å; D29-Y32 PolarHBondContact O-N 3.46Å
30E92.7Very high95.5Very high118 Ų11879.3 Ų79.355%0.55137%0.369SS*.G310 helixtrans-63-27179-61.2-179177.200112.8P28 Y32 R33 Y34P28-E30 PolarHBondContact O-N 3.21Å; E30-Y32 PolarHBondContact O-N 3.26Å; E30-R33 VanDerWaalsContact O-CB 3.31Å; E30-R33 WeakPolarHBondContact O-CB 3.39Å; E30-R33 WeakPolarHBondContact O-CG 3.27Å; E30-R33 PolarHBondContact O-N 3.32Å; E30-Y34 WeakPolarHBondContact O-CE2 3.33Å
31I94.6Very high95.6Very high5 Ų574.5 Ų74.53%0.02635%0.351CS..G310 helixtrans-59.7-38.9177.6-66.9165.5000110.2I17 V27 P28 D29 R33 Y34 L38 L41 L43 L58I17-I31 HydrophobicContact CD1-CB 4.43Å; I17-I31 HydrophobicContact CD1-CG1 4.13Å; I17-I31 HydrophobicContact CD1-CG2 4.27Å; I17-I31 HydrophobicContact CG2-CG1 4.45Å; V27-I31 HydrophobicContact CG1-CD1 3.68Å; P28-I31 HydrophobicContact CB-CD1 4.35Å; P28-I31 HydrophobicContact CG-CD1 4.37Å; P28-I31 WeakPolarHBondContact O-CB 3.44Å; P28-I31 WeakPolarHBondContact O-CG1 3.22Å; P28-I31 PolarHBondContact O-N 3.47Å; D29-I31 PolarHBondContact O-N 2.84Å; I31-R33 PolarHBondContact O-N 2.75Å; I31-R33 VanDerWaalsContact O-N 3.11Å; I31-Y34 PolarHBondContact O-N 2.89Å; I31-L38 HydrophobicContact CG2-CD2 3.64Å; I31-L41 HydrophobicContact CD1-CD1 3.89Å; I31-L41 HydrophobicContact CG1-CD1 4.44Å; I31-L41 HydrophobicContact CG2-CD1 4.27Å; I31-L41 HydrophobicContact CG2-CD2 4.12Å; I31-L43 HydrophobicContact CD1-CD2 4.4Å; I31-L58 HydrophobicContact CG2-CD1 4.12Å
32Y94.3Very high95.7Very high48 Ų4868.9 Ų68.919%0.18833%0.325CS..G310 helixtrans-68.3-13.5-177.3-48.7-51.2000113.6D29 E30 Y34 A35 P52 P54 L55 L58D29-Y32 HydrophobicContact CB-CD2 4.36Å; D29-Y32 WeakPolarHBondContact O-CD2 3.26Å; D29-Y32 PolarHBondContact O-N 3.46Å; E30-Y32 PolarHBondContact O-N 3.26Å; Y32-Y34 PolarHBondContact O-N 3.41Å; Y32-A35 WeakPolarHBondContact O-CB 3.36Å; Y32-A35 PolarHBondContact O-N 2.87Å; Y32-P52 WeakPolarHBondContact OH-CG 3.42Å; Y32-P54 HydrophobicContact CD1-CB 3.97Å; Y32-P54 HydrophobicContact CD2-CB 4.31Å; Y32-P54 HydrophobicContact CE1-CB 3.82Å; Y32-P54 HydrophobicContact CE2-CB 4.13Å; Y32-P54 HydrophobicContact CG-CB 4.25Å; Y32-L55 HydrophobicContact CE1-CB 4.3Å; Y32-L58 HydrophobicContact CD1-CD2 4.46Å
33R93.1Very high95.8Very high183 Ų18366.4 Ų66.469%0.69131%0.308SS*.G310 helixtrans-65.1-21.9172-60.7-179.6-178.2175.15.3112.1E30 I31E30-R33 VanDerWaalsContact O-CB 3.31Å; E30-R33 WeakPolarHBondContact O-CB 3.39Å; E30-R33 WeakPolarHBondContact O-CG 3.27Å; E30-R33 PolarHBondContact O-N 3.32Å; I31-R33 PolarHBondContact O-N 2.75Å; I31-R33 VanDerWaalsContact O-N 3.11Å
34Y93.6Very high95.9Very high67 Ų6762.3 Ų62.326%0.26328%0.283SS..G310 helixtrans-104.417.5-177.7-48.6-69.7000113R12 V14 I17 E30 I31 Y32 R36 S37 L38R12-Y34 WeakPolarHBondContact O-CD1 3.39Å; V14-Y34 HydrophobicContact CB-CD1 3.63Å; V14-Y34 HydrophobicContact CB-CD2 4.47Å; V14-Y34 HydrophobicContact CB-CE1 3.99Å; V14-Y34 HydrophobicContact CB-CG 3.88Å; V14-Y34 HydrophobicContact CG1-CG 4.49Å; V14-Y34 HydrophobicContact CG2-CD1 3.59Å; V14-Y34 HydrophobicContact CG2-CE1 3.42Å; V14-Y34 VanDerWaalsContact CG2-CE1 3.42Å; V14-Y34 HydrophobicContact CG2-CG 4.25Å; I17-Y34 HydrophobicContact CD1-CD2 3.64Å; I17-Y34 HydrophobicContact CD1-CE2 4.11Å; E30-Y34 WeakPolarHBondContact O-CE2 3.33Å; I31-Y34 PolarHBondContact O-N 2.89Å; Y32-Y34 PolarHBondContact O-N 3.41Å; Y34-R36 PolarHBondContact O-N 3.05Å; Y34-S37 PolarHBondContact O-N 2.8Å; Y34-S37 PolarHBondContact O-OG 2.64Å; Y34-L38 WeakPolarHBondContact O-CB 3.46Å; Y34-L38 PolarHBondContact O-N 3.05Å
35A92.7Very high95.9Very high36 Ų3661.8 Ų61.830%0.29828%0.283SS..THydrogen-bonded Turntrans-56.7-15.5-175.200000116Y32 L58Y32-A35 WeakPolarHBondContact O-CB 3.36Å; Y32-A35 PolarHBondContact O-N 2.87Å; A35-L58 HydrophobicContact CB-CD2 3.71Å
36R92.6Very high95.9Very high226 Ų22657.6 Ų57.685%0.85326%0.26SS*.THydrogen-bonded Turntrans-95.1-11.7178-63.3-175.2-178.9-177.5-0.5114.4Y34Y34-R36 PolarHBondContact O-N 3.05Å
37S95.4Very high95.9Very high12 Ų1253.5 Ų53.58%0.08425%0.247CC..THydrogen-bonded Turntrans-129.5-21-173.461.40000114.2H13 V14 Y34 E39H13-S37 VanDerWaalsContact ND1-CB 3.34Å; H13-S37 WeakPolarHBondContact ND1-CB 3.48Å; V14-S37 PolarHBondContact N-OG 2.74Å; V14-S37 CarbonylContact O-C 3.56Å; V14-S37 VanDerWaalsContact O-C 3.24Å; V14-S37 WeakPolarHBondContact O-CB 3.44Å; V14-S37 PolarHBondContact O-OG 3.29Å; Y34-S37 PolarHBondContact O-N 2.8Å; Y34-S37 PolarHBondContact O-OG 2.64Å; S37-E39 PolarHBondContact O-N 2.76Å
38L97.6Very high96Very high0 Ų053.3 Ų53.30%025%0.245CC..  trans-70.1121.2-172.5-167.769.6000111.3V14 I17 I31 Y34 E40 L41 L58 K60 L61V14-L38 HydrophobicContact CG1-CD1 4.39Å; V14-L38 WeakPolarHBondContact O-CA 3.33Å; V14-L38 PolarHBondContact O-N 2.97Å; I17-L38 HydrophobicContact CB-CD1 4Å; I17-L38 HydrophobicContact CD1-CD1 3.62Å; I17-L38 HydrophobicContact CD1-CD2 4.02Å; I17-L38 HydrophobicContact CG1-CD1 3.55Å; I31-L38 HydrophobicContact CG2-CD2 3.64Å; Y34-L38 WeakPolarHBondContact O-CB 3.46Å; Y34-L38 PolarHBondContact O-N 3.05Å; L38-E40 WeakPolarHBondContact CD1-O 3.48Å; L38-L41 HydrophobicContact CD2-CB 4.32Å; L38-L58 HydrophobicContact CD2-CD1 4.06Å; L38-K60 CarbonylContact O-C 3.07Å; L38-K60 VanDerWaalsContact O-C 3.27Å; L38-K60 WeakPolarHBondContact O-CB 3.24Å; L38-L61 HydrophobicContact CD2-CD1 4.31Å; L38-L61 HydrophobicContact CG-CD1 4.14Å; L38-L61 PolarHBondContact O-N 3.05Å
39E98.2Very high96Very high58 Ų5859.5 Ų59.527%0.27127%0.266SS..  trans-107.7-31177.9-60.4-165.1-174.500112.2E15 S37 K60 L61 R62 K63E15-E39 CarbonylContact O-C 3.18Å; E15-E39 WeakPolarHBondContact O-CA 3.26Å; E15-E39 PolarHBondContact O-N 2.89Å; S37-E39 PolarHBondContact O-N 2.76Å; E39-K60 WeakPolarHBondContact CA-O 3.46Å; E39-L61 CarbonylContact O-C 3.57Å; E39-R62 WeakPolarHBondContact O-CA 3.43Å; E39-R62 PolarHBondContact O-N 3.02Å; E39-R62 WeakPolarHBondContact OE2-CD 3.27Å; E39-R62 IonicContact OE2-NH1 3.09Å; E39-R62 PolarHBondContact OE2-NH1 2.78Å; E39-K63 PolarHBondContact O-N 3.18Å
40E98.6Very high96.1Very high66 Ų6658.7 Ų58.731%0.30826%0.262SS..EExtended strand (participates in β ladder)trans-131127.4-175.6-54.6-178.2163.200110.9E15 T16 I17 L38 K63E15-E40 PolarHBondContact O-N 2.81Å; T16-E40 WeakPolarHBondContact CA-O 3.48Å; T16-E40 HydrophobicContact CG2-CB 3.91Å; T16-E40 WeakPolarHBondContact CG2-OE2 3.35Å; T16-E40 PolarHBondContact OG1-OE2 3.13Å; I17-E40 PolarHBondContact N-O 3.31Å; L38-E40 WeakPolarHBondContact CD1-O 3.48Å; E40-K63 WeakPolarHBondContact CA-O 3.17Å; E40-K63 HydrophobicContact CB-CB 4.2Å; E40-K63 HydrophobicContact CG-CB 4.01Å
41L98.6Very high96.3Very high0 Ų053.6 Ų53.60%024%0.238CC..EExtended strand (participates in β ladder)trans-132.2113.9178.217958.2000109.8I17 I31 L38 L43 L55 L58 L61 K63 L64 T65I17-L41 HydrophobicContact CB-CD1 4.03Å; I17-L41 HydrophobicContact CG2-CD1 3.92Å; I31-L41 HydrophobicContact CD1-CD1 3.89Å; I31-L41 HydrophobicContact CG1-CD1 4.44Å; I31-L41 HydrophobicContact CG2-CD1 4.27Å; I31-L41 HydrophobicContact CG2-CD2 4.12Å; L38-L41 HydrophobicContact CD2-CB 4.32Å; L41-L43 HydrophobicContact CD1-CD1 4.24Å; L41-L43 HydrophobicContact CD1-CD2 4.15Å; L41-L43 HydrophobicContact CD1-CG 3.97Å; L41-L43 HydrophobicContact CD2-CD1 3.9Å; L41-L43 HydrophobicContact CD2-CG 4.49Å; L41-L43 HydrophobicContact CG-CD1 3.91Å; L41-L43 HydrophobicContact CG-CG 3.96Å; L41-L55 HydrophobicContact CD2-CD1 4.25Å; L41-L55 HydrophobicContact CD2-CG 4.49Å; L41-L58 HydrophobicContact CD2-CD1 4.19Å; L41-L61 HydrophobicContact CB-CD1 3.75Å; L41-L61 HydrophobicContact CB-CD2 4.41Å; L41-K63 PolarHBondContact N-O 3.15Å; L41-L64 HydrophobicContact CB-CD1 4.23Å; L41-L64 HydrophobicContact CD2-CD1 4.09Å; L41-L64 HydrophobicContact CG-CD1 4.17Å; L41-L64 WeakPolarHBondContact O-CA 3.49Å; L41-T65 PolarHBondContact O-N 3.13Å
42M98.6Very high96.3Very high26 Ų2655.5 Ų55.513%0.12825%0.251CS..EExtended strand (participates in β ladder)trans-112.3119.9179.6-51177.476.400110.1I17 K19 R20 T65I17-M42 PolarHBondContact O-N 2.91Å; K19-M42 CarbonylContact C-O 3.49Å; K19-M42 WeakPolarHBondContact CA-O 3.43Å; K19-M42 PolarHBondContact N-O 3.24Å; R20-M42 HydrophobicContact CG-CB 3.9Å; R20-M42 VanDerWaalsContact NH1-CE 3.35Å; M42-T65 WeakPolarHBondContact CA-OG1 3.18Å; M42-T65 WeakPolarHBondContact CB-OG1 3.5Å
43L98.3Very high96.4Very high0 Ų059.7 Ų59.70%027%0.27CS..  trans-131.919.9-172.2-68.1173.3000111.8K19 L24 V27 I31 L41 N46 L48 T65 V66 N69K19-L43 HydrophobicContact CB-CD2 3.84Å; L24-L43 HydrophobicContact CD1-CD2 4.01Å; V27-L43 HydrophobicContact CG1-CD1 4.37Å; V27-L43 HydrophobicContact CG2-CD1 4.12Å; I31-L43 HydrophobicContact CD1-CD2 4.4Å; L41-L43 HydrophobicContact CD1-CD1 4.24Å; L41-L43 HydrophobicContact CD1-CD2 4.15Å; L41-L43 HydrophobicContact CD1-CG 3.97Å; L41-L43 HydrophobicContact CD2-CD1 3.9Å; L41-L43 HydrophobicContact CD2-CG 4.49Å; L41-L43 HydrophobicContact CG-CD1 3.91Å; L41-L43 HydrophobicContact CG-CG 3.96Å; L43-N46 VanDerWaalsContact C-ND2 3.33Å; L43-N46 PolarHBondContact O-ND2 2.84Å; L43-L48 HydrophobicContact CB-CD1 3.96Å; L43-L48 HydrophobicContact CD1-CD1 4.1Å; L43-L48 HydrophobicContact CG-CD1 4.48Å; L43-T65 PolarHBondContact N-O 2.92Å; L43-V66 HydrophobicContact CB-CG1 3.75Å; L43-V66 HydrophobicContact CD1-CG1 3.93Å; L43-V66 HydrophobicContact CG-CG1 4.4Å; L43-N69 PolarHBondContact O-ND2 2.77Å
44D97.8Very high96.5Very high15 Ų1553.5 Ų53.58%0.0825%0.254CS..  trans-64.2154.7-176.2-42.1-59.3000112.9R20 H21 N46 T65 V66 S67R20-D44 CarbonylContact C-O 3.5Å; R20-D44 WeakPolarHBondContact CA-O 3.22Å; R20-D44 WeakPolarHBondContact CD-OD2 3.2Å; R20-D44 HydrophobicContact CG-CB 3.8Å; R20-D44 WeakPolarHBondContact CG-OD2 3.36Å; H21-D44 PolarHBondContact N-O 3.3Å; D44-N46 PolarHBondContact O-ND2 3.42Å; D44-T65 VanDerWaalsContact CG-OG1 3.28Å; D44-T65 WeakPolarHBondContact OD1-CA 3.47Å; D44-T65 WeakPolarHBondContact OD1-CB 3.2Å; D44-T65 PolarHBondContact OD1-OG1 3.1Å; D44-T65 VanDerWaalsContact OD1-OG1 3.11Å; D44-T65 WeakPolarHBondContact OD2-CB 3.46Å; D44-T65 PolarHBondContact OD2-OG1 2.84Å; D44-V66 PolarHBondContact OD1-N 3.27Å; D44-S67 CarbonylContact C-O 3.41Å; D44-S67 WeakPolarHBondContact CA-O 3.3Å; D44-S67 PolarHBondContact OD1-N 2.8Å; D44-S67 PolarHBondContact OD1-OG 3.45Å
45A97.4Very high96.7Very high19 Ų1950.3 Ų50.316%0.15724%0.241CC..SBendtrans53.157.9176.200000112.5H21 S67 D68H21-A45 VanDerWaalsContact CA-O 3.3Å; H21-A45 WeakPolarHBondContact CA-O 3.24Å; H21-A45 WeakPolarHBondContact CE1-CB 3.48Å; H21-A45 PolarHBondContact N-O 2.62Å; H21-A45 WeakPolarHBondContact ND1-CB 3.43Å; A45-S67 PolarHBondContact N-O 3.43Å; A45-D68 WeakPolarHBondContact CA-O 3.34Å; A45-D68 HydrophobicContact CB-CB 4.36Å; A45-D68 PolarHBondContact N-O 3.28Å
46N97.6Very high96.9Very high13 Ų1348.6 Ų48.67%0.0723%0.227CC..SBendtrans-128.2-163.1176.7-78.5-66000109.6K19 C22 T23 L24 L43 D44 L48 D68 N69K19-N46 PolarHBondContact O-ND2 2.99Å; C22-N46 WeakPolarHBondContact CA-OD1 3.42Å; C22-N46 PolarHBondContact N-OD1 2.94Å; T23-N46 PolarHBondContact N-OD1 3.41Å; L24-N46 HydrophobicContact CB-CB 4.08Å; L24-N46 WeakPolarHBondContact CB-OD1 3.45Å; L24-N46 WeakPolarHBondContact CG-OD1 3.44Å; L24-N46 PolarHBondContact N-OD1 3.2Å; L43-N46 VanDerWaalsContact C-ND2 3.33Å; L43-N46 PolarHBondContact O-ND2 2.84Å; D44-N46 PolarHBondContact O-ND2 3.42Å; N46-L48 HydrophobicContact CB-CG 4.13Å; N46-D68 PolarHBondContact N-O 2.88Å; N46-D68 VanDerWaalsContact N-O 3.16Å; N46-N69 VanDerWaalsContact CA-OD1 3.32Å; N46-N69 WeakPolarHBondContact CA-OD1 3.47Å; N46-N69 WeakPolarHBondContact CB-OD1 3.44Å; N46-N69 PolarHBondContact N-OD1 2.84Å; N46-N69 PolarHBondContact O-OD1 3.3Å
47Q97.4Very high97.1Very high80 Ų8044 Ų4437%0.37422%0.215SC..  trans-123.235.4-179.7-66.4161.8-12.800109.8L24 R49 N69L24-Q47 CarbonylContact O-C 3.1Å; L24-Q47 VanDerWaalsContact O-C 3.25Å; L24-Q47 VanDerWaalsContact O-CA 3.32Å; L24-Q47 WeakPolarHBondContact O-CA 3.03Å; L24-Q47 WeakPolarHBondContact O-CB 3Å; L24-Q47 PolarHBondContact O-N 2.7Å; Q47-R49 PolarHBondContact O-N 2.97Å; Q47-N69 PolarHBondContact N-OD1 2.96Å
48L97.7Very high97.1Very high0 Ų043.5 Ų43.50%021%0.212CC..  trans-72.7126.6-178.7-58.4179.1000109.5L24 Y26 V27 L43 N46 N69 E70 I71L24-L48 HydrophobicContact CB-CD2 4.02Å; L24-L48 PolarHBondContact O-N 3.09Å; Y26-L48 VanDerWaalsContact CA-CD2 3.49Å; V27-L48 HydrophobicContact CG2-CD1 4.18Å; V27-L48 HydrophobicContact CG2-CD2 4.34Å; L43-L48 HydrophobicContact CB-CD1 3.96Å; L43-L48 HydrophobicContact CD1-CD1 4.1Å; L43-L48 HydrophobicContact CG-CD1 4.48Å; N46-L48 HydrophobicContact CB-CG 4.13Å; L48-N69 HydrophobicContact CB-CB 4.28Å; L48-N69 VanDerWaalsContact CB-OD1 3.23Å; L48-N69 WeakPolarHBondContact CB-OD1 3.31Å; L48-N69 VanDerWaalsContact CG-OD1 3.25Å; L48-N69 WeakPolarHBondContact CG-OD1 3.48Å; L48-N69 PolarHBondContact N-OD1 2.83Å; L48-E70 CarbonylContact O-C 3.17Å; L48-E70 WeakPolarHBondContact O-CA 3.48Å; L48-E70 PolarHBondContact O-N 3.45Å; L48-I71 HydrophobicContact CB-CG1 4.27Å; L48-I71 WeakPolarHBondContact O-CG1 3.11Å; L48-I71 PolarHBondContact O-N 2.92Å
49R96.3Very high97.1Very high154 Ų15448.2 Ų48.258%0.58124%0.236SC*.  trans-97.8-25.3177.4-68.4-178.6176.9170.23.3114.4Q47 E70 I71 A72Q47-R49 PolarHBondContact O-N 2.97Å; R49-E70 WeakPolarHBondContact CA-O 3.33Å; R49-E70 HydrophobicContact CG-CB 3.93Å; R49-E70 IonicContact CZ-OE2 3.47Å; R49-E70 IonicContact NE-OE2 3.38Å; R49-E70 PolarHBondContact NE-OE2 3.37Å; R49-E70 IonicContact NH2-OE2 3.85Å; R49-E70 PolarHBondContact NH2-OE2 3.31Å; R49-I71 WeakPolarHBondContact O-CA 3.47Å; R49-A72 PolarHBondContact O-N 3.01Å
50D95.7Very high97Very high107 Ų10749.6 Ų49.657%0.57224%0.241SC*.  trans-145.3149.5-175.9-69-55.8000110.4
51L96.3Very high97Very high11 Ų1146.4 Ų46.46%0.05823%0.226CC..  trans-98.5113.1168.4-61.8179.2000109.4V27 L55 F56 V66 I71 L74V27-L51 HydrophobicContact CG2-CD2 4.45Å; L51-L55 HydrophobicContact CD2-CD1 4.15Å; L51-F56 HydrophobicContact CB-CE2 3.89Å; L51-F56 HydrophobicContact CB-CZ 3.74Å; L51-F56 HydrophobicContact CD1-CZ 4.05Å; L51-V66 HydrophobicContact CD2-CG1 4.04Å; L51-I71 HydrophobicContact CD1-CD1 4.31Å; L51-I71 HydrophobicContact CD2-CD1 3.79Å; L51-I71 HydrophobicContact CG-CD1 3.98Å; L51-I71 HydrophobicContact CG-CG2 4.38Å; L51-L74 HydrophobicContact CD1-CD1 4.03Å
52P95.8Very high97Very high45 Ų4551.7 Ų51.729%0.29225%0.246SC..  trans-75.1145.5-173.632.6-38.9000111.9V27 Y32 P54 L55V27-P52 HydrophobicContact CB-CG 3.95Å; V27-P52 HydrophobicContact CG2-CG 4.16Å; Y32-P52 WeakPolarHBondContact OH-CG 3.42Å; P52-P54 VanDerWaalsContact C-N 3.32Å; P52-P54 VanDerWaalsContact O-N 3.1Å; P52-L55 WeakPolarHBondContact O-CB 3.35Å; P52-L55 PolarHBondContact O-N 3.19Å
53K94.6Very high97Very high135 Ų13552.6 Ų52.659%0.58725%0.249SC*.G310 helixtrans-47.9-39.7-177-62.9-172.1179.8-1280115.8L55 F56 E77K53-L55 PolarHBondContact O-N 2.73Å; K53-F56 PolarHBondContact O-N 3.2Å; K53-F56 VanDerWaalsContact O-N 3.12Å; K53-E77 WeakPolarHBondContact CE-OE1 3.09Å; K53-E77 IonicContact NZ-OE1 2.72Å; K53-E77 PolarHBondContact NZ-OE1 2.88Å
54P96.2Very high97Very high54 Ų5452.6 Ų52.635%0.35125%0.249SC..G310 helixtrans-61-23.5177.8-25.336.6000114.7Y32 P52 F56 Q57Y32-P54 HydrophobicContact CD1-CB 3.97Å; Y32-P54 HydrophobicContact CD2-CB 4.31Å; Y32-P54 HydrophobicContact CE1-CB 3.82Å; Y32-P54 HydrophobicContact CE2-CB 4.13Å; Y32-P54 HydrophobicContact CG-CB 4.25Å; P52-P54 VanDerWaalsContact C-N 3.32Å; P52-P54 VanDerWaalsContact O-N 3.1Å; P54-F56 PolarHBondContact O-N 3.34Å; P54-Q57 WeakPolarHBondContact O-CB 3.05Å; P54-Q57 PolarHBondContact O-N 3.41Å; P54-Q57 VanDerWaalsContact O-N 3.1Å
55L97.4Very high97.1Very high0 Ų052 Ų520%025%0.247CC..G310 helixtrans-58.8-38.5174-175.5153.7000111.2V27 Y32 L41 L51 P52 K53 Q57 L58 L64V27-L55 HydrophobicContact CG1-CD1 4.3Å; V27-L55 HydrophobicContact CG2-CD1 4.18Å; Y32-L55 HydrophobicContact CE1-CB 4.3Å; L41-L55 HydrophobicContact CD2-CD1 4.25Å; L41-L55 HydrophobicContact CD2-CG 4.49Å; L51-L55 HydrophobicContact CD2-CD1 4.15Å; P52-L55 WeakPolarHBondContact O-CB 3.35Å; P52-L55 PolarHBondContact O-N 3.19Å; K53-L55 PolarHBondContact O-N 2.73Å; L55-Q57 PolarHBondContact O-N 2.97Å; L55-Q57 VanDerWaalsContact O-N 3.13Å; L55-L58 HydrophobicContact CG-CD1 4.32Å; L55-L58 VanDerWaalsContact O-CB 3.32Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 WeakPolarHBondContact O-CD1 3.32Å; L55-L58 WeakPolarHBondContact O-CG 3.37Å; L55-L58 PolarHBondContact O-N 2.95Å; L55-L64 HydrophobicContact CD2-CD2 3.94Å
56F97.1Very high97.1Very high0 Ų051.1 Ų51.10%024%0.239CC..G310 helixtrans-80.712.1-179.7-53.8-76.4000113.6L51 K53 P54 L74 P75 E77 I78 N80 L81L51-F56 HydrophobicContact CB-CE2 3.89Å; L51-F56 HydrophobicContact CB-CZ 3.74Å; L51-F56 HydrophobicContact CD1-CZ 4.05Å; K53-F56 PolarHBondContact O-N 3.2Å; K53-F56 VanDerWaalsContact O-N 3.12Å; P54-F56 PolarHBondContact O-N 3.34Å; F56-L74 HydrophobicContact CZ-CD1 4.48Å; F56-P75 HydrophobicContact CD2-CG 4.01Å; F56-P75 HydrophobicContact CE1-CG 4.37Å; F56-P75 HydrophobicContact CE2-CB 4.48Å; F56-P75 HydrophobicContact CE2-CG 3.17Å; F56-P75 HydrophobicContact CZ-CG 3.38Å; F56-E77 HydrophobicContact CB-CB 3.64Å; F56-E77 WeakPolarHBondContact CB-O 3.2Å; F56-E77 HydrophobicContact CD2-CB 3.96Å; F56-E77 HydrophobicContact CG-CB 3.8Å; F56-I78 VanDerWaalsContact CD1-CA 3.48Å; F56-I78 HydrophobicContact CD1-CB 4.3Å; F56-I78 HydrophobicContact CD1-CD1 4.24Å; F56-I78 HydrophobicContact CE1-CB 4.01Å; F56-I78 HydrophobicContact CE1-CD1 3.82Å; F56-N80 WeakPolarHBondContact O-CB 3.42Å; F56-N80 PolarHBondContact O-ND2 3.02Å; F56-L81 HydrophobicContact CD1-CD1 4.07Å; F56-L81 HydrophobicContact CD1-CG 4.26Å
57Q96.2Very high97.1Very high130 Ų13051.4 Ų51.461%0.60724%0.242SC*.G310 helixtrans-103.10.2168.9-58.8-178.2-10.800112P54 L55 L59P54-Q57 WeakPolarHBondContact O-CB 3.05Å; P54-Q57 PolarHBondContact O-N 3.41Å; P54-Q57 VanDerWaalsContact O-N 3.1Å; L55-Q57 PolarHBondContact O-N 2.97Å; L55-Q57 VanDerWaalsContact O-N 3.13Å; Q57-L59 PolarHBondContact O-N 3.02Å
58L96.9Very high97Very high1 Ų152 Ų521%0.00525%0.248CC..  trans-77.669.6174.1-56.8172000109.5I31 Y32 A35 L38 L41 L55 K60 L61 L81I31-L58 HydrophobicContact CG2-CD1 4.12Å; Y32-L58 HydrophobicContact CD1-CD2 4.46Å; A35-L58 HydrophobicContact CB-CD2 3.71Å; L38-L58 HydrophobicContact CD2-CD1 4.06Å; L41-L58 HydrophobicContact CD2-CD1 4.19Å; L55-L58 HydrophobicContact CG-CD1 4.32Å; L55-L58 VanDerWaalsContact O-CB 3.32Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 WeakPolarHBondContact O-CD1 3.32Å; L55-L58 WeakPolarHBondContact O-CG 3.37Å; L55-L58 PolarHBondContact O-N 2.95Å; L58-K60 PolarHBondContact O-N 3.05Å; L58-L61 HydrophobicContact CB-CB 4.27Å; L58-L61 WeakPolarHBondContact O-CB 3.37Å; L58-L61 PolarHBondContact O-N 3.22Å; L58-L81 WeakPolarHBondContact O-CD2 3.34Å
59L96.2Very high97Very high98 Ų9852.6 Ų52.651%0.51325%0.251SS..THydrogen-bonded Turntrans-64.6-13-167.6-56.9-179.1000115.1Q57 N80Q57-L59 PolarHBondContact O-N 3.02Å; L59-N80 HydrophobicContact CD2-CB 4.47Å
60K97.1Very high97.1Very high87 Ų8748.9 Ų48.938%0.37824%0.24SC..THydrogen-bonded Turntrans-92.2-0.9175.5-69.2-51.7-166.3178.90114L38 E39 L58 R62 E83L38-K60 CarbonylContact O-C 3.07Å; L38-K60 VanDerWaalsContact O-C 3.27Å; L38-K60 WeakPolarHBondContact O-CB 3.24Å; E39-K60 WeakPolarHBondContact CA-O 3.46Å; L58-K60 PolarHBondContact O-N 3.05Å; K60-R62 PolarHBondContact O-N 3.1Å; K60-E83 WeakPolarHBondContact CD-OE2 3.48Å; K60-E83 VanDerWaalsContact NZ-CD 3.33Å; K60-E83 IonicContact NZ-OE1 3.26Å; K60-E83 PolarHBondContact NZ-OE1 3.05Å; K60-E83 IonicContact NZ-OE2 3.35Å; K60-E83 PolarHBondContact NZ-OE2 3.03Å; K60-E83 VanDerWaalsContact NZ-OE2 3.07Å
61L98.3Very high97.1Very high0 Ų043.8 Ų43.80%021%0.213CC..  trans-66.9121.5-177.5-155.174000110.7L38 E39 L41 L58 L64 L81 E83 L84L38-L61 HydrophobicContact CD2-CD1 4.31Å; L38-L61 HydrophobicContact CG-CD1 4.14Å; L38-L61 PolarHBondContact O-N 3.05Å; E39-L61 CarbonylContact O-C 3.57Å; L41-L61 HydrophobicContact CB-CD1 3.75Å; L41-L61 HydrophobicContact CB-CD2 4.41Å; L58-L61 HydrophobicContact CB-CB 4.27Å; L58-L61 WeakPolarHBondContact O-CB 3.37Å; L58-L61 PolarHBondContact O-N 3.22Å; L61-L64 HydrophobicContact CD2-CB 3.81Å; L61-L64 HydrophobicContact CD2-CD1 4.17Å; L61-L64 HydrophobicContact CD2-CD2 4.34Å; L61-L64 HydrophobicContact CD2-CG 4.32Å; L61-L81 HydrophobicContact CB-CD2 4.37Å; L61-L81 HydrophobicContact CD2-CD1 4.04Å; L61-E83 CarbonylContact O-C 3.16Å; L61-L84 HydrophobicContact CD2-CD1 4.46Å; L61-L84 HydrophobicContact CG-CD1 4.44Å; L61-L84 WeakPolarHBondContact O-CA 3.4Å; L61-L84 PolarHBondContact O-N 3.2Å
62R98.5Very high97Very high110 Ų11045 Ų4542%0.41523%0.225SC..  trans-106.8-27.7177.3-66.1178.462.4-133.6-8.7111.9E39 K60 V85 E86E39-R62 WeakPolarHBondContact O-CA 3.43Å; E39-R62 PolarHBondContact O-N 3.02Å; E39-R62 WeakPolarHBondContact OE2-CD 3.27Å; E39-R62 IonicContact OE2-NH1 3.09Å; E39-R62 PolarHBondContact OE2-NH1 2.78Å; K60-R62 PolarHBondContact O-N 3.1Å; R62-V85 HydrophobicContact CB-CG2 4.33Å; R62-V85 WeakPolarHBondContact O-CA 3.36Å; R62-V85 WeakPolarHBondContact O-CB 3.46Å; R62-V85 PolarHBondContact O-N 3.09Å; R62-E86 PolarHBondContact O-N 3.24Å
63K98.8Very high97Very high45 Ų4551.3 Ų51.320%0.19624%0.242CC..EExtended strand (participates in β ladder)trans-132.2125.4177.2179.9170.1-179.5136.40110.9E39 E40 L41 T65 E86E39-K63 PolarHBondContact O-N 3.18Å; E40-K63 WeakPolarHBondContact CA-O 3.17Å; E40-K63 HydrophobicContact CB-CB 4.2Å; E40-K63 HydrophobicContact CG-CB 4.01Å; L41-K63 PolarHBondContact N-O 3.15Å; K63-T65 HydrophobicContact CD-CG2 4.5Å; K63-T65 HydrophobicContact CG-CG2 4.06Å; K63-E86 WeakPolarHBondContact CA-O 3.36Å; K63-E86 HydrophobicContact CB-CB 4.42Å; K63-E86 WeakPolarHBondContact CD-OE2 3.26Å; K63-E86 WeakPolarHBondContact CE-OE1 3.12Å; K63-E86 WeakPolarHBondContact CE-OE2 3.48Å; K63-E86 HydrophobicContact CG-CB 4.16Å; K63-E86 HydrophobicContact CG-CG 4.36Å; K63-E86 IonicContact NZ-OE1 3.93Å; K63-E86 PolarHBondContact NZ-OE1 2.94Å; K63-E86 IonicContact NZ-OE2 3.28Å; K63-E86 PolarHBondContact NZ-OE2 3.36Å
64L98.6Very high97.1Very high0 Ų045.3 Ų45.30%022%0.217CC..EExtended strand (participates in β ladder)trans-129.5113.5172.1178.659000109.2L41 L55 L61 V66 L81 L84 E86 L87 D88L41-L64 HydrophobicContact CB-CD1 4.23Å; L41-L64 HydrophobicContact CD2-CD1 4.09Å; L41-L64 HydrophobicContact CG-CD1 4.17Å; L41-L64 WeakPolarHBondContact O-CA 3.49Å; L55-L64 HydrophobicContact CD2-CD2 3.94Å; L61-L64 HydrophobicContact CD2-CB 3.81Å; L61-L64 HydrophobicContact CD2-CD1 4.17Å; L61-L64 HydrophobicContact CD2-CD2 4.34Å; L61-L64 HydrophobicContact CD2-CG 4.32Å; L64-V66 HydrophobicContact CD1-CG1 3.98Å; L64-V66 HydrophobicContact CG-CG1 4.45Å; L64-L81 HydrophobicContact CD2-CD1 4.31Å; L64-L84 HydrophobicContact CB-CD1 3.94Å; L64-E86 PolarHBondContact N-O 2.8Å; L64-L87 HydrophobicContact CB-CD1 4.16Å; L64-L87 HydrophobicContact CD2-CD1 4.07Å; L64-L87 HydrophobicContact CG-CD1 4.19Å; L64-L87 WeakPolarHBondContact O-CA 3.32Å; L64-D88 PolarHBondContact O-N 2.65Å
65T98.4Very high97.1Very high4 Ų444.2 Ų44.23%0.02521%0.21CC..EExtended strand (participates in β ladder)trans-117.9125.4173.868.60000108.8L41 M42 L43 D44 K63 D88L41-T65 PolarHBondContact O-N 3.13Å; M42-T65 WeakPolarHBondContact CA-OG1 3.18Å; M42-T65 WeakPolarHBondContact CB-OG1 3.5Å; L43-T65 PolarHBondContact N-O 2.92Å; D44-T65 VanDerWaalsContact CG-OG1 3.28Å; D44-T65 WeakPolarHBondContact OD1-CA 3.47Å; D44-T65 WeakPolarHBondContact OD1-CB 3.2Å; D44-T65 PolarHBondContact OD1-OG1 3.1Å; D44-T65 VanDerWaalsContact OD1-OG1 3.11Å; D44-T65 WeakPolarHBondContact OD2-CB 3.46Å; D44-T65 PolarHBondContact OD2-OG1 2.84Å; K63-T65 HydrophobicContact CD-CG2 4.5Å; K63-T65 HydrophobicContact CG-CG2 4.06Å; T65-D88 HydrophobicContact CG2-CB 3.97Å
66V97.8Very high97Very high0 Ų047 Ų470%023%0.23CC..  trans-137.632.5179-69.10000110.1L43 D44 L51 L64 N69 I71 D88 L89 N92L43-V66 HydrophobicContact CB-CG1 3.75Å; L43-V66 HydrophobicContact CD1-CG1 3.93Å; L43-V66 HydrophobicContact CG-CG1 4.4Å; D44-V66 PolarHBondContact OD1-N 3.27Å; L51-V66 HydrophobicContact CD2-CG1 4.04Å; L64-V66 HydrophobicContact CD1-CG1 3.98Å; L64-V66 HydrophobicContact CG-CG1 4.45Å; V66-N69 PolarHBondContact O-ND2 3.3Å; V66-I71 HydrophobicContact CB-CD1 3.83Å; V66-I71 HydrophobicContact CG1-CD1 4.46Å; V66-I71 HydrophobicContact CG2-CD1 3.79Å; V66-D88 WeakPolarHBondContact CG2-O 3.11Å; V66-D88 PolarHBondContact N-O 3.4Å; V66-L89 HydrophobicContact CG2-CD2 3.14Å; V66-L89 HydrophobicContact CG2-CG 4.44Å; V66-N92 PolarHBondContact O-ND2 3.41Å
67S97.4Very high97.1Very high19 Ų1949.1 Ų49.113%0.13324%0.239CC..  trans-66.8157.7-178.252.50000112.5D44 A45 N69 D88 S90D44-S67 CarbonylContact C-O 3.41Å; D44-S67 WeakPolarHBondContact CA-O 3.3Å; D44-S67 PolarHBondContact OD1-N 2.8Å; D44-S67 PolarHBondContact OD1-OG 3.45Å; A45-S67 PolarHBondContact N-O 3.43Å; S67-N69 PolarHBondContact O-ND2 3.49Å; S67-D88 WeakPolarHBondContact CB-OD2 3.25Å; S67-D88 PolarHBondContact OG-OD2 3.32Å; S67-D88 VanDerWaalsContact OG-OD2 3.08Å; S67-S90 CarbonylContact C-O 3.27Å; S67-S90 WeakPolarHBondContact CA-O 3.4Å; S67-S90 WeakPolarHBondContact CB-O 3.33Å; S67-S90 WeakPolarHBondContact CB-OG 3.13Å
68D96.8Very high97.2Very high92 Ų9242.9 Ų42.949%0.49221%0.21SC..SBendtrans55.363.3178.5-165.325.6000112.1A45 N46 S90 R91A45-D68 WeakPolarHBondContact CA-O 3.34Å; A45-D68 HydrophobicContact CB-CB 4.36Å; A45-D68 PolarHBondContact N-O 3.28Å; N46-D68 PolarHBondContact N-O 2.88Å; N46-D68 VanDerWaalsContact N-O 3.16Å; D68-S90 PolarHBondContact N-O 2.92Å; D68-R91 VanDerWaalsContact CA-O 3.26Å; D68-R91 WeakPolarHBondContact CA-O 3.18Å; D68-R91 HydrophobicContact CB-CB 4.43Å; D68-R91 PolarHBondContact N-O 2.92Å
69N97.4Very high97.2Very high13 Ų1343.1 Ų43.17%0.0721%0.213CC..SBendtrans-139.2-173.5179.1-85.7-82000109.8L43 N46 Q47 L48 V66 S67 I71 R91 N92L43-N69 PolarHBondContact O-ND2 2.77Å; N46-N69 VanDerWaalsContact CA-OD1 3.32Å; N46-N69 WeakPolarHBondContact CA-OD1 3.47Å; N46-N69 WeakPolarHBondContact CB-OD1 3.44Å; N46-N69 PolarHBondContact N-OD1 2.84Å; N46-N69 PolarHBondContact O-OD1 3.3Å; Q47-N69 PolarHBondContact N-OD1 2.96Å; L48-N69 HydrophobicContact CB-CB 4.28Å; L48-N69 VanDerWaalsContact CB-OD1 3.23Å; L48-N69 WeakPolarHBondContact CB-OD1 3.31Å; L48-N69 VanDerWaalsContact CG-OD1 3.25Å; L48-N69 WeakPolarHBondContact CG-OD1 3.48Å; L48-N69 PolarHBondContact N-OD1 2.83Å; V66-N69 PolarHBondContact O-ND2 3.3Å; S67-N69 PolarHBondContact O-ND2 3.49Å; N69-I71 HydrophobicContact CB-CD1 4.2Å; N69-I71 HydrophobicContact CB-CG1 4.11Å; N69-R91 PolarHBondContact N-O 3.23Å; N69-N92 WeakPolarHBondContact CA-OD1 3.45Å; N69-N92 WeakPolarHBondContact CB-OD1 3.49Å; N69-N92 PolarHBondContact O-OD1 2.91Å
70E96.9Very high97.3Very high75 Ų7542.2 Ų42.235%0.3521%0.209SC..  trans-109.630179.9-63.2176.3-164.200111.3L48 R49 A72L48-E70 CarbonylContact O-C 3.17Å; L48-E70 WeakPolarHBondContact O-CA 3.48Å; L48-E70 PolarHBondContact O-N 3.45Å; R49-E70 WeakPolarHBondContact CA-O 3.33Å; R49-E70 HydrophobicContact CG-CB 3.93Å; R49-E70 IonicContact CZ-OE2 3.47Å; R49-E70 IonicContact NE-OE2 3.38Å; R49-E70 PolarHBondContact NE-OE2 3.37Å; R49-E70 IonicContact NH2-OE2 3.85Å; R49-E70 PolarHBondContact NH2-OE2 3.31Å; E70-A72 PolarHBondContact O-N 3.22Å
71I97Very high97.3Very high1 Ų138.1 Ų38.11%0.00519%0.191CC..  trans-73.6116-171.5-60.2165.5000109.9L48 R49 L51 V66 N69 N92 D93 I94L48-I71 HydrophobicContact CB-CG1 4.27Å; L48-I71 WeakPolarHBondContact O-CG1 3.11Å; L48-I71 PolarHBondContact O-N 2.92Å; R49-I71 WeakPolarHBondContact O-CA 3.47Å; L51-I71 HydrophobicContact CD1-CD1 4.31Å; L51-I71 HydrophobicContact CD2-CD1 3.79Å; L51-I71 HydrophobicContact CG-CD1 3.98Å; L51-I71 HydrophobicContact CG-CG2 4.38Å; V66-I71 HydrophobicContact CB-CD1 3.83Å; V66-I71 HydrophobicContact CG1-CD1 4.46Å; V66-I71 HydrophobicContact CG2-CD1 3.79Å; N69-I71 HydrophobicContact CB-CD1 4.2Å; N69-I71 HydrophobicContact CB-CG1 4.11Å; I71-N92 HydrophobicContact CB-CB 4.29Å; I71-N92 WeakPolarHBondContact CB-OD1 3.41Å; I71-N92 WeakPolarHBondContact CG1-OD1 3.05Å; I71-N92 PolarHBondContact N-OD1 3.1Å; I71-D93 CarbonylContact O-C 3.38Å; I71-D93 WeakPolarHBondContact O-CA 3.25Å; I71-D93 PolarHBondContact O-N 3.37Å; I71-I94 HydrophobicContact CG2-CD1 4.45Å; I71-I94 HydrophobicContact CG2-CG1 4.27Å; I71-I94 VanDerWaalsContact O-CG1 3.31Å; I71-I94 WeakPolarHBondContact O-CG1 3.46Å; I71-I94 PolarHBondContact O-N 3.32Å
72A94.5Very high97.2Very high36 Ų3641.6 Ų41.630%0.29821%0.212SC..  trans-84-24.9-177.200000114R49 E70 D93R49-A72 PolarHBondContact O-N 3.01Å; E70-A72 PolarHBondContact O-N 3.22Å; A72-D93 WeakPolarHBondContact CA-O 3.44Å
73R95.2Very high97.2Very high177 Ų17739.7 Ų39.767%0.66821%0.208SC*.  trans-150.4138-171.4-57.7-176.3-174.9-175.7-0.3112.1
74L96.3Very high97.1Very high9 Ų937.5 Ų37.55%0.04720%0.199CC..  trans-93.5115.9166-174.167000109.3L51 F56 I78 L89 L97 P98 I101L51-L74 HydrophobicContact CD1-CD1 4.03Å; F56-L74 HydrophobicContact CZ-CD1 4.48Å; L74-I78 HydrophobicContact CD1-CB 4.23Å; L74-I78 HydrophobicContact CD1-CD1 4.31Å; L74-I78 HydrophobicContact CD1-CG1 4.3Å; L74-I78 HydrophobicContact CD2-CB 4.26Å; L74-I78 HydrophobicContact CD2-CG1 4.11Å; L74-I78 HydrophobicContact CD2-CG2 4.11Å; L74-I78 HydrophobicContact CG-CB 4.15Å; L74-I78 HydrophobicContact CG-CG1 4.42Å; L74-I78 HydrophobicContact CG-CG2 4.2Å; L74-L89 HydrophobicContact CB-CD1 4.5Å; L74-L89 HydrophobicContact CD1-CD1 3.93Å; L74-L89 HydrophobicContact CD2-CD1 3.64Å; L74-L89 HydrophobicContact CG-CD1 4.25Å; L74-L97 HydrophobicContact CD2-CD2 4.05Å; L74-P98 HydrophobicContact CD2-CG 4.37Å; L74-P98 HydrophobicContact CG-CG 4.36Å; L74-I101 HydrophobicContact CD2-CD1 4.17Å
75P96Very high97.1Very high32 Ų3239 Ų3921%0.20821%0.207CC..  trans-72.5154.7-178.331.2-36.7000112F56 E77 I78F56-P75 HydrophobicContact CD2-CG 4.01Å; F56-P75 HydrophobicContact CE1-CG 4.37Å; F56-P75 HydrophobicContact CE2-CB 4.48Å; F56-P75 HydrophobicContact CE2-CG 3.17Å; F56-P75 HydrophobicContact CZ-CG 3.38Å; P75-E77 WeakPolarHBondContact CB-OE2 3.46Å; P75-E77 PolarHBondContact O-N 2.83Å; P75-E77 VanDerWaalsContact O-N 3.13Å; P75-I78 WeakPolarHBondContact O-CG2 3.17Å; P75-I78 PolarHBondContact O-N 2.55Å; P75-I78 VanDerWaalsContact O-N 3.07Å
76S96.8Very high97.2Very high59 Ų5941.5 Ų41.541%0.41322%0.219SC..G310 helixtrans-63.8-20.3-176.958.10000113.7I78 G79 N100S76-I78 PolarHBondContact O-N 3Å; S76-I78 VanDerWaalsContact O-N 3.1Å; S76-G79 PolarHBondContact O-N 3.24Å; S76-N100 WeakPolarHBondContact CB-OD1 3.42Å; S76-N100 WeakPolarHBondContact O-CB 3.34Å
77E98Very high97.2Very high43 Ų4341.5 Ų41.520%0.20122%0.219CC..G310 helixtrans-60.4-12.9172.2-67.988.5160.500113.8K53 F56 P75 G79 N80K53-E77 WeakPolarHBondContact CE-OE1 3.09Å; K53-E77 IonicContact NZ-OE1 2.72Å; K53-E77 PolarHBondContact NZ-OE1 2.88Å; F56-E77 HydrophobicContact CB-CB 3.64Å; F56-E77 WeakPolarHBondContact CB-O 3.2Å; F56-E77 HydrophobicContact CD2-CB 3.96Å; F56-E77 HydrophobicContact CG-CB 3.8Å; P75-E77 WeakPolarHBondContact CB-OE2 3.46Å; P75-E77 PolarHBondContact O-N 2.83Å; P75-E77 VanDerWaalsContact O-N 3.13Å; E77-G79 PolarHBondContact O-N 3.12Å; E77-G79 VanDerWaalsContact O-N 3.07Å; E77-N80 VanDerWaalsContact O-CB 3.25Å; E77-N80 WeakPolarHBondContact O-CB 3.21Å; E77-N80 PolarHBondContact O-N 3.27Å
78I97.9Very high97.3Very high0 Ų042 Ų420%022%0.22CC..G310 helixtrans-48.6-35.9169.8-174.762.1000112.4F56 L74 P75 S76 N80 L81 L84 L87 P98 I101 C104F56-I78 VanDerWaalsContact CD1-CA 3.48Å; F56-I78 HydrophobicContact CD1-CB 4.3Å; F56-I78 HydrophobicContact CD1-CD1 4.24Å; F56-I78 HydrophobicContact CE1-CB 4.01Å; F56-I78 HydrophobicContact CE1-CD1 3.82Å; L74-I78 HydrophobicContact CD1-CB 4.23Å; L74-I78 HydrophobicContact CD1-CD1 4.31Å; L74-I78 HydrophobicContact CD1-CG1 4.3Å; L74-I78 HydrophobicContact CD2-CB 4.26Å; L74-I78 HydrophobicContact CD2-CG1 4.11Å; L74-I78 HydrophobicContact CD2-CG2 4.11Å; L74-I78 HydrophobicContact CG-CB 4.15Å; L74-I78 HydrophobicContact CG-CG1 4.42Å; L74-I78 HydrophobicContact CG-CG2 4.2Å; P75-I78 WeakPolarHBondContact O-CG2 3.17Å; P75-I78 PolarHBondContact O-N 2.55Å; P75-I78 VanDerWaalsContact O-N 3.07Å; S76-I78 PolarHBondContact O-N 3Å; S76-I78 VanDerWaalsContact O-N 3.1Å; I78-N80 PolarHBondContact O-N 2.97Å; I78-L81 HydrophobicContact CD1-CD1 3.96Å; I78-L81 PolarHBondContact O-N 2.93Å; I78-L84 HydrophobicContact CD1-CD2 4.16Å; I78-L87 HydrophobicContact CD1-CD2 4.32Å; I78-P98 HydrophobicContact CG2-CG 3.74Å; I78-I101 HydrophobicContact CG2-CB 4.41Å; I78-C104 PolarHBondContact O-SG 2.79Å; I78-C104 VanDerWaalsContact O-SG 3.33Å
79G97.2Very high97.3Very high6 Ų637.6 Ų37.66%0.06220%0.197CC..G310 helixtrans-63.8-9.1178.400000115.2S76 E77 L81 N100 N103S76-G79 PolarHBondContact O-N 3.24Å; E77-G79 PolarHBondContact O-N 3.12Å; E77-G79 VanDerWaalsContact O-N 3.07Å; G79-L81 VanDerWaalsContact C-N 3.33Å; G79-N100 VanDerWaalsContact CA-O 3.25Å; G79-N100 WeakPolarHBondContact CA-O 3.43Å; G79-N103 WeakPolarHBondContact O-CB 3.05Å
80N97.8Very high97.3Very high79 Ų7937.4 Ų37.442%0.42220%0.196SC..G310 helixtrans-75.4-22.5172-66.3-16.1000112.6F56 L59 E77 I78 T82F56-N80 WeakPolarHBondContact O-CB 3.42Å; F56-N80 PolarHBondContact O-ND2 3.02Å; L59-N80 HydrophobicContact CD2-CB 4.47Å; E77-N80 VanDerWaalsContact O-CB 3.25Å; E77-N80 WeakPolarHBondContact O-CB 3.21Å; E77-N80 PolarHBondContact O-N 3.27Å; I78-N80 PolarHBondContact O-N 2.97Å; N80-T82 PolarHBondContact O-N 3.37Å
81L97.6Very high97.2Very high0 Ų038.9 Ų38.90%020%0.198CC..  trans-82.367-179.2-55.8-174.1000109.8F56 L58 L61 L64 I78 G79 E83 L84 C104F56-L81 HydrophobicContact CD1-CD1 4.07Å; F56-L81 HydrophobicContact CD1-CG 4.26Å; L58-L81 WeakPolarHBondContact O-CD2 3.34Å; L61-L81 HydrophobicContact CB-CD2 4.37Å; L61-L81 HydrophobicContact CD2-CD1 4.04Å; L64-L81 HydrophobicContact CD2-CD1 4.31Å; I78-L81 HydrophobicContact CD1-CD1 3.96Å; I78-L81 PolarHBondContact O-N 2.93Å; G79-L81 VanDerWaalsContact C-N 3.33Å; L81-E83 VanDerWaalsContact C-N 3.28Å; L81-E83 PolarHBondContact O-N 3.13Å; L81-L84 HydrophobicContact CB-CB 3.97Å; L81-L84 HydrophobicContact CB-CD2 4.34Å; L81-L84 HydrophobicContact CD1-CD1 4.49Å; L81-L84 HydrophobicContact CD1-CD2 4.36Å; L81-L84 WeakPolarHBondContact O-CB 3.4Å; L81-L84 PolarHBondContact O-N 2.99Å; L81-C104 PolarHBondContact O-SG 3.11Å
82T96.3Very high97.1Very high74 Ų7439.1 Ų39.145%0.45420%0.2SC..THydrogen-bonded Turntrans-71.4-22.2-174.457.80000113.6N80 L84 S106N80-T82 PolarHBondContact O-N 3.37Å; T82-L84 VanDerWaalsContact C-N 3.33Å; T82-S106 WeakPolarHBondContact O-CB 3.49Å; T82-S106 PolarHBondContact O-OG 3.09Å
83E97.6Very high97.2Very high69 Ų6941.6 Ų41.632%0.32221%0.208SC..THydrogen-bonded Turntrans-87.90.1175.6-63.5-174-166.500112.4K60 L61 L81 V85K60-E83 WeakPolarHBondContact CD-OE2 3.48Å; K60-E83 VanDerWaalsContact NZ-CD 3.33Å; K60-E83 IonicContact NZ-OE1 3.26Å; K60-E83 PolarHBondContact NZ-OE1 3.05Å; K60-E83 IonicContact NZ-OE2 3.35Å; K60-E83 PolarHBondContact NZ-OE2 3.03Å; K60-E83 VanDerWaalsContact NZ-OE2 3.07Å; L61-E83 CarbonylContact O-C 3.16Å; L81-E83 VanDerWaalsContact C-N 3.28Å; L81-E83 PolarHBondContact O-N 3.13Å; E83-V85 PolarHBondContact O-N 3.03Å
84L98.6Very high97.2Very high0 Ų033.3 Ų33.30%018%0.177CC..  trans-65126.4-178.5-164.269.5000110.6L61 L64 I78 L81 T82 L87 S106 L107L61-L84 HydrophobicContact CD2-CD1 4.46Å; L61-L84 HydrophobicContact CG-CD1 4.44Å; L61-L84 WeakPolarHBondContact O-CA 3.4Å; L61-L84 PolarHBondContact O-N 3.2Å; L64-L84 HydrophobicContact CB-CD1 3.94Å; I78-L84 HydrophobicContact CD1-CD2 4.16Å; L81-L84 HydrophobicContact CB-CB 3.97Å; L81-L84 HydrophobicContact CB-CD2 4.34Å; L81-L84 HydrophobicContact CD1-CD1 4.49Å; L81-L84 HydrophobicContact CD1-CD2 4.36Å; L81-L84 WeakPolarHBondContact O-CB 3.4Å; L81-L84 PolarHBondContact O-N 2.99Å; T82-L84 VanDerWaalsContact C-N 3.33Å; L84-L87 HydrophobicContact CD2-CB 3.96Å; L84-L87 HydrophobicContact CD2-CD1 4.22Å; L84-L87 HydrophobicContact CD2-CD2 4.22Å; L84-L87 HydrophobicContact CD2-CG 4.36Å; L84-S106 CarbonylContact O-C 3.59Å; L84-S106 WeakPolarHBondContact O-CB 3.12Å; L84-L107 HydrophobicContact CD2-CD1 4.19Å; L84-L107 HydrophobicContact CG-CD1 4.11Å; L84-L107 WeakPolarHBondContact O-CA 2.91Å; L84-L107 PolarHBondContact O-N 3Å
85V98.7Very high97Very high30 Ų3037.4 Ų37.418%0.18220%0.198CC..  trans-108.7-39.6-178.5179.70000110.9R62 E83 Q108 V109R62-V85 HydrophobicContact CB-CG2 4.33Å; R62-V85 WeakPolarHBondContact O-CA 3.36Å; R62-V85 WeakPolarHBondContact O-CB 3.46Å; R62-V85 PolarHBondContact O-N 3.09Å; E83-V85 PolarHBondContact O-N 3.03Å; V85-Q108 HydrophobicContact CG1-CB 3.99Å; V85-Q108 HydrophobicContact CG1-CG 4.16Å; V85-Q108 PolarHBondContact O-N 3.13Å; V85-V109 PolarHBondContact O-N 2.93Å
86E98.8Very high96.9Very high58 Ų5842.2 Ų42.227%0.27122%0.218SC..EExtended strand (participates in β ladder)trans-126.9127.7-179-176-178.2152.800110.2R62 K63 L64 V109R62-E86 PolarHBondContact O-N 3.24Å; K63-E86 WeakPolarHBondContact CA-O 3.36Å; K63-E86 HydrophobicContact CB-CB 4.42Å; K63-E86 WeakPolarHBondContact CD-OE2 3.26Å; K63-E86 WeakPolarHBondContact CE-OE1 3.12Å; K63-E86 WeakPolarHBondContact CE-OE2 3.48Å; K63-E86 HydrophobicContact CG-CB 4.16Å; K63-E86 HydrophobicContact CG-CG 4.36Å; K63-E86 IonicContact NZ-OE1 3.93Å; K63-E86 PolarHBondContact NZ-OE1 2.94Å; K63-E86 IonicContact NZ-OE2 3.28Å; K63-E86 PolarHBondContact NZ-OE2 3.36Å; L64-E86 PolarHBondContact N-O 2.8Å; E86-V109 WeakPolarHBondContact CA-O 3.36Å; E86-V109 HydrophobicContact CB-CB 4.44Å; E86-V109 HydrophobicContact CG-CB 4.14Å; E86-V109 HydrophobicContact CG-CG1 4.27Å
87L98.7Very high96.8Very high0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-131.6113.3176.2179.558.1000109.8L64 I78 L84 L89 I101 L107 V109 A110 D111 F112L64-L87 HydrophobicContact CB-CD1 4.16Å; L64-L87 HydrophobicContact CD2-CD1 4.07Å; L64-L87 HydrophobicContact CG-CD1 4.19Å; L64-L87 WeakPolarHBondContact O-CA 3.32Å; I78-L87 HydrophobicContact CD1-CD2 4.32Å; L84-L87 HydrophobicContact CD2-CB 3.96Å; L84-L87 HydrophobicContact CD2-CD1 4.22Å; L84-L87 HydrophobicContact CD2-CD2 4.22Å; L84-L87 HydrophobicContact CD2-CG 4.36Å; L87-L89 HydrophobicContact CD1-CD1 4.4Å; L87-L89 HydrophobicContact CD1-CD2 3.73Å; L87-L89 HydrophobicContact CD1-CG 3.87Å; L87-L89 HydrophobicContact CD2-CD1 4.23Å; L87-L89 HydrophobicContact CD2-CG 4.4Å; L87-L89 HydrophobicContact CG-CD1 4.37Å; L87-L89 HydrophobicContact CG-CD2 4.4Å; L87-L89 HydrophobicContact CG-CG 3.98Å; L87-I101 HydrophobicContact CD2-CD1 4.39Å; L87-L107 HydrophobicContact CB-CD1 3.72Å; L87-V109 PolarHBondContact N-O 3.47Å; L87-A110 VanDerWaalsContact O-CA 3.31Å; L87-A110 WeakPolarHBondContact O-CA 3.29Å; L87-D111 PolarHBondContact O-N 2.81Å; L87-F112 HydrophobicContact CD2-CE1 4.13Å; L87-F112 HydrophobicContact CD2-CZ 4.34Å
88D98.4Very high96.8Very high29 Ų2939 Ų3916%0.15520%0.198CC..EExtended strand (participates in β ladder)trans-112.9112.3172.2179.78.7000109.5L64 T65 V66 S67 S90L64-D88 PolarHBondContact O-N 2.65Å; T65-D88 HydrophobicContact CG2-CB 3.97Å; V66-D88 WeakPolarHBondContact CG2-O 3.11Å; V66-D88 PolarHBondContact N-O 3.4Å; S67-D88 WeakPolarHBondContact CB-OD2 3.25Å; S67-D88 PolarHBondContact OG-OD2 3.32Å; S67-D88 VanDerWaalsContact OG-OD2 3.08Å; D88-S90 VanDerWaalsContact OD1-CB 3.23Å; D88-S90 WeakPolarHBondContact OD1-CB 3.25Å; D88-S90 PolarHBondContact OD1-N 3.14Å; D88-S90 PolarHBondContact OD1-OG 2.89Å
89L97.2Very high96.7Very high0 Ų043.3 Ų43.30%022%0.219CC..  trans-11514.1174.2-58.1-177.1000111.6V66 L74 L87 N92 I94 D111 F112 N115V66-L89 HydrophobicContact CG2-CD2 3.14Å; V66-L89 HydrophobicContact CG2-CG 4.44Å; L74-L89 HydrophobicContact CB-CD1 4.5Å; L74-L89 HydrophobicContact CD1-CD1 3.93Å; L74-L89 HydrophobicContact CD2-CD1 3.64Å; L74-L89 HydrophobicContact CG-CD1 4.25Å; L87-L89 HydrophobicContact CD1-CD1 4.4Å; L87-L89 HydrophobicContact CD1-CD2 3.73Å; L87-L89 HydrophobicContact CD1-CG 3.87Å; L87-L89 HydrophobicContact CD2-CD1 4.23Å; L87-L89 HydrophobicContact CD2-CG 4.4Å; L87-L89 HydrophobicContact CG-CD1 4.37Å; L87-L89 HydrophobicContact CG-CD2 4.4Å; L87-L89 HydrophobicContact CG-CG 3.98Å; L89-N92 PolarHBondContact O-ND2 2.72Å; L89-N92 VanDerWaalsContact O-ND2 3.09Å; L89-I94 HydrophobicContact CB-CD1 3.84Å; L89-I94 HydrophobicContact CD1-CD1 3.71Å; L89-I94 HydrophobicContact CG-CD1 4.25Å; L89-D111 PolarHBondContact N-O 2.79Å; L89-F112 HydrophobicContact CB-CD1 4.1Å; L89-F112 HydrophobicContact CD1-CD1 3.96Å; L89-F112 HydrophobicContact CD1-CE1 3.75Å; L89-F112 HydrophobicContact CG-CD1 4.29Å; L89-F112 HydrophobicContact CG-CE1 4.22Å; L89-N115 PolarHBondContact O-ND2 3.17Å
90S97Very high96.7Very high9 Ų946.3 Ų46.36%0.06323%0.233CC..  trans-61.5154.8-172.864.40000112.7S67 D68 D88 N92 D111 S113S67-S90 CarbonylContact C-O 3.27Å; S67-S90 WeakPolarHBondContact CA-O 3.4Å; S67-S90 WeakPolarHBondContact CB-O 3.33Å; S67-S90 WeakPolarHBondContact CB-OG 3.13Å; D68-S90 PolarHBondContact N-O 2.92Å; D88-S90 VanDerWaalsContact OD1-CB 3.23Å; D88-S90 WeakPolarHBondContact OD1-CB 3.25Å; D88-S90 PolarHBondContact OD1-N 3.14Å; D88-S90 PolarHBondContact OD1-OG 2.89Å; S90-N92 PolarHBondContact O-ND2 3.27Å; S90-N92 VanDerWaalsContact O-ND2 3.09Å; S90-D111 PolarHBondContact N-O 2.82Å; S90-S113 CarbonylContact C-O 3.57Å; S90-S113 WeakPolarHBondContact CA-O 3.28Å; S90-S113 VanDerWaalsContact CB-O 3.31Å; S90-S113 WeakPolarHBondContact CB-O 3.15Å
91R95.4Very high96.7Very high105 Ų10542.6 Ų42.640%0.39621%0.213SC..SBendtrans53.359.7178.6-56.1173.5-177.4-94.39.7112.4D68 N69 S113 G114 P479D68-R91 VanDerWaalsContact CA-O 3.26Å; D68-R91 WeakPolarHBondContact CA-O 3.18Å; D68-R91 HydrophobicContact CB-CB 4.43Å; D68-R91 PolarHBondContact N-O 2.92Å; N69-R91 PolarHBondContact N-O 3.23Å; R91-S113 PolarHBondContact N-O 3.31Å; R91-G114 WeakPolarHBondContact CA-O 3.49Å; R91-P479 HydrophobicContact CG-CB 4.14Å; R91-P479 VanDerWaalsContact CZ-CA 3.48Å; R91-P479 VanDerWaalsContact CZ-O 3.28Å; R91-P479 PolarHBondContact NH1-O 3.32Å; R91-P479 PolarHBondContact NH2-O 3.01Å; R91-P479 VanDerWaalsContact NH2-O 3.1Å
92N96.2Very high96.6Very high6 Ų643 Ų433%0.03222%0.216CC..SBendtrans-134.5-174.8175.7-85.7-81.7000109.5V66 N69 I71 L89 S90 I94 G114 N115V66-N92 PolarHBondContact O-ND2 3.41Å; N69-N92 WeakPolarHBondContact CA-OD1 3.45Å; N69-N92 WeakPolarHBondContact CB-OD1 3.49Å; N69-N92 PolarHBondContact O-OD1 2.91Å; I71-N92 HydrophobicContact CB-CB 4.29Å; I71-N92 WeakPolarHBondContact CB-OD1 3.41Å; I71-N92 WeakPolarHBondContact CG1-OD1 3.05Å; I71-N92 PolarHBondContact N-OD1 3.1Å; L89-N92 PolarHBondContact O-ND2 2.72Å; L89-N92 VanDerWaalsContact O-ND2 3.09Å; S90-N92 PolarHBondContact O-ND2 3.27Å; S90-N92 VanDerWaalsContact O-ND2 3.09Å; N92-I94 HydrophobicContact CB-CD1 4.38Å; N92-I94 HydrophobicContact CB-CG1 4.13Å; N92-G114 PolarHBondContact N-O 3.36Å; N92-N115 WeakPolarHBondContact CA-OD1 3.34Å; N92-N115 WeakPolarHBondContact CB-OD1 3.25Å; N92-N115 PolarHBondContact N-OD1 3.01Å; N92-N115 PolarHBondContact O-OD1 2.9Å; N92-N115 VanDerWaalsContact O-OD1 3.09Å
93D95.3Very high96.6Very high89 Ų8942.7 Ų42.748%0.47621%0.212SC..  trans-103.127.5179.5-69.2-51.6000112.6I71 A72 I95I71-D93 CarbonylContact O-C 3.38Å; I71-D93 WeakPolarHBondContact O-CA 3.25Å; I71-D93 PolarHBondContact O-N 3.37Å; A72-D93 WeakPolarHBondContact CA-O 3.44Å; D93-I95 PolarHBondContact O-N 3.12Å
94I95Very high96.6Very high2 Ų239.4 Ų39.41%0.0120%0.197CC..  trans-72.9118.2-174.4-57.4174.9000111I71 L89 N92 E96 L97 N115 P116I71-I94 HydrophobicContact CG2-CD1 4.45Å; I71-I94 HydrophobicContact CG2-CG1 4.27Å; I71-I94 VanDerWaalsContact O-CG1 3.31Å; I71-I94 WeakPolarHBondContact O-CG1 3.46Å; I71-I94 PolarHBondContact O-N 3.32Å; L89-I94 HydrophobicContact CB-CD1 3.84Å; L89-I94 HydrophobicContact CD1-CD1 3.71Å; L89-I94 HydrophobicContact CG-CD1 4.25Å; N92-I94 HydrophobicContact CB-CD1 4.38Å; N92-I94 HydrophobicContact CB-CG1 4.13Å; I94-E96 WeakPolarHBondContact CG2-O 3.48Å; I94-L97 HydrophobicContact CG2-CD2 4.26Å; I94-N115 HydrophobicContact CB-CB 4.31Å; I94-N115 VanDerWaalsContact CB-OD1 3.25Å; I94-N115 WeakPolarHBondContact CB-OD1 3.08Å; I94-N115 WeakPolarHBondContact CG1-OD1 3.24Å; I94-N115 PolarHBondContact N-OD1 2.84Å; I94-P116 CarbonylContact O-C 3.01Å; I94-P116 WeakPolarHBondContact O-CD 3.38Å
95I91.7Very high96.3Very high96 Ų9646.1 Ų46.149%0.49223%0.226SC..  trans-89.9-30.4-177-53.9169.7000112.3D93 P116 L117D93-I95 PolarHBondContact O-N 3.12Å; I95-P116 HydrophobicContact CG1-CG 4.2Å; I95-L117 WeakPolarHBondContact O-CD1 3.26Å
96E94.3Very high96.3Very high132 Ų13247 Ų4762%0.61723%0.233SC*.  trans-147146.8-178.566.2179.9-174.900112I94I94-E96 WeakPolarHBondContact CG2-O 3.48Å
97L96Very high96.3Very high13 Ų1344.2 Ų44.27%0.06822%0.22CC..  trans-97.8134.6169.3-61.7176.9000109.7L74 I94 I101 F112 L117 L120 P121 F124L74-L97 HydrophobicContact CD2-CD2 4.05Å; I94-L97 HydrophobicContact CG2-CD2 4.26Å; L97-I101 HydrophobicContact CD1-CD1 4.36Å; L97-I101 HydrophobicContact CD2-CD1 4.42Å; L97-F112 HydrophobicContact CD1-CD1 4.19Å; L97-F112 HydrophobicContact CD1-CD2 4.09Å; L97-F112 HydrophobicContact CD1-CE1 4.18Å; L97-F112 HydrophobicContact CD1-CE2 4.07Å; L97-F112 HydrophobicContact CD1-CG 4.15Å; L97-F112 HydrophobicContact CD1-CZ 4.12Å; L97-F112 HydrophobicContact CD2-CD1 3.96Å; L97-F112 HydrophobicContact CD2-CE1 3.97Å; L97-L117 HydrophobicContact CD1-CD2 3.73Å; L97-L117 HydrophobicContact CG-CD1 4.03Å; L97-L117 HydrophobicContact CG-CD2 3.88Å; L97-L120 HydrophobicContact CD1-CD2 4.02Å; L97-P121 HydrophobicContact CB-CG 4.15Å; L97-F124 HydrophobicContact CD1-CD2 4.45Å; L97-F124 HydrophobicContact CD1-CE2 4.18Å
98P96.3Very high96.3Very high22 Ų2248.2 Ų48.214%0.14324%0.239CC..  trans-72.3145.8178.130.6-35.4000111.5L74 I78 N100 I101L74-P98 HydrophobicContact CD2-CG 4.37Å; L74-P98 HydrophobicContact CG-CG 4.36Å; I78-P98 HydrophobicContact CG2-CG 3.74Å; P98-N100 PolarHBondContact O-N 3Å; P98-I101 WeakPolarHBondContact O-CB 3.42Å; P98-I101 VanDerWaalsContact O-CG2 3.24Å; P98-I101 WeakPolarHBondContact O-CG2 3.41Å; P98-I101 PolarHBondContact O-N 2.91Å
99E96.3Very high96.3Very high91 Ų9149.2 Ų49.243%0.42525%0.246SC..G310 helixtrans-54.4-30.1175.1-67.3-66.3157.200112.8I101 S102 P121 E122 S123E99-I101 PolarHBondContact O-N 2.98Å; E99-I101 VanDerWaalsContact O-N 3.09Å; E99-S102 WeakPolarHBondContact O-CB 3.4Å; E99-S102 PolarHBondContact O-N 3.06Å; E99-S102 PolarHBondContact O-OG 2.86Å; E99-P121 VanDerWaalsContact CD-CB 3.45Å; E99-P121 HydrophobicContact CG-CB 4.38Å; E99-P121 VanDerWaalsContact OE1-CB 3.23Å; E99-P121 WeakPolarHBondContact OE1-CB 3.43Å; E99-E122 PolarHBondContact OE1-N 3.15Å; E99-S123 WeakPolarHBondContact CA-OG 3.49Å; E99-S123 PolarHBondContact O-OG 2.82Å; E99-S123 WeakPolarHBondContact OE2-CB 3.17Å; E99-S123 PolarHBondContact OE2-N 2.79Å; E99-S123 VanDerWaalsContact OE2-N 3.1Å; E99-S123 PolarHBondContact OE2-OG 3.41Å
100N97.5Very high96.3Very high69 Ų6949.2 Ų49.237%0.36925%0.246SC..G310 helixtrans-64.4-11.7178.4-66.190000114.4S76 G79 P98 S102 N103S76-N100 WeakPolarHBondContact CB-OD1 3.42Å; S76-N100 WeakPolarHBondContact O-CB 3.34Å; G79-N100 VanDerWaalsContact CA-O 3.25Å; G79-N100 WeakPolarHBondContact CA-O 3.43Å; P98-N100 PolarHBondContact O-N 3Å; N100-S102 PolarHBondContact O-N 3.49Å; N100-N103 VanDerWaalsContact O-CB 3.3Å; N100-N103 WeakPolarHBondContact O-CB 3.37Å; N100-N103 PolarHBondContact O-N 2.94Å
101I97.1Very high96.4Very high0 Ų050.8 Ų50.80%025%0.254CS..G310 helixtrans-57.8-30.4174.2-161.1168.4000111.8L74 I78 L87 L97 P98 E99 N103 C104 F112 P121 F124L74-I101 HydrophobicContact CD2-CD1 4.17Å; I78-I101 HydrophobicContact CG2-CB 4.41Å; L87-I101 HydrophobicContact CD2-CD1 4.39Å; L97-I101 HydrophobicContact CD1-CD1 4.36Å; L97-I101 HydrophobicContact CD2-CD1 4.42Å; P98-I101 WeakPolarHBondContact O-CB 3.42Å; P98-I101 VanDerWaalsContact O-CG2 3.24Å; P98-I101 WeakPolarHBondContact O-CG2 3.41Å; P98-I101 PolarHBondContact O-N 2.91Å; E99-I101 PolarHBondContact O-N 2.98Å; E99-I101 VanDerWaalsContact O-N 3.09Å; I101-N103 PolarHBondContact O-N 2.84Å; I101-C104 WeakPolarHBondContact O-CB 3.45Å; I101-C104 PolarHBondContact O-N 2.74Å; I101-F112 HydrophobicContact CD1-CE1 4.06Å; I101-F112 HydrophobicContact CD1-CZ 3.65Å; I101-P121 HydrophobicContact CG2-CG 4.08Å; I101-F124 HydrophobicContact CD1-CE2 4.41Å; I101-F124 HydrophobicContact CG2-CD2 4.06Å
102S96Very high96.4Very high10 Ų1045.9 Ų45.97%0.0724%0.235CC..G310 helixtrans-58.3-18.2173.958.60000114.5E99 N100 C104 S123E99-S102 WeakPolarHBondContact O-CB 3.4Å; E99-S102 PolarHBondContact O-N 3.06Å; E99-S102 PolarHBondContact O-OG 2.86Å; N100-S102 PolarHBondContact O-N 3.49Å; S102-C104 VanDerWaalsContact C-N 3.31Å; S102-S123 VanDerWaalsContact CB-O 3.31Å; S102-S123 WeakPolarHBondContact CB-O 3.45Å; S102-S123 PolarHBondContact OG-OG 2.87Å
103N97.2Very high96.4Very high67 Ų6745.7 Ų45.736%0.35823%0.234SC..G310 helixtrans-77.6-13.9176-67.9-26.3000113.5G79 N100 I101 K105G79-N103 WeakPolarHBondContact O-CB 3.05Å; N100-N103 VanDerWaalsContact O-CB 3.3Å; N100-N103 WeakPolarHBondContact O-CB 3.37Å; N100-N103 PolarHBondContact O-N 2.94Å; I101-N103 PolarHBondContact O-N 2.84Å; N103-K105 PolarHBondContact O-N 2.85Å
104C97.1Very high96.4Very high0 Ų042 Ų420%022%0.218CC..  trans-73.863.5172.5-64.70000110.4I78 L81 I101 S102 S106 L107 L127I78-C104 PolarHBondContact O-SG 2.79Å; I78-C104 VanDerWaalsContact O-SG 3.33Å; L81-C104 PolarHBondContact O-SG 3.11Å; I101-C104 WeakPolarHBondContact O-CB 3.45Å; I101-C104 PolarHBondContact O-N 2.74Å; S102-C104 VanDerWaalsContact C-N 3.31Å; C104-S106 PolarHBondContact O-N 3.01Å; C104-S106 VanDerWaalsContact O-N 3.12Å; C104-L107 HydrophobicContact CB-CB 4.16Å; C104-L107 WeakPolarHBondContact O-CB 3.44Å; C104-L107 PolarHBondContact O-N 3.24Å; C104-L127 HydrophobicContact CB-CD2 4.38Å; C104-L127 VanDerWaalsContact O-CD2 3.3Å; C104-L127 WeakPolarHBondContact O-CD2 2.98Å
105K92.9Very high96.3Very high140 Ų14042.2 Ų42.261%0.60922%0.218SC*.THydrogen-bonded Turntrans-63.1-22.1-170.1-66.9-179.4-179.1-178.40114N103 L107 H129N103-K105 PolarHBondContact O-N 2.85Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-H129 PolarHBondContact O-CD2 3.34Å
106S97.4Very high96.3Very high48 Ų4840.5 Ų40.534%0.33621%0.214SC..THydrogen-bonded Turntrans-84.9-3176.6-68.80000114.1T82 L84 C104 Q108T82-S106 WeakPolarHBondContact O-CB 3.49Å; T82-S106 PolarHBondContact O-OG 3.09Å; L84-S106 CarbonylContact O-C 3.59Å; L84-S106 WeakPolarHBondContact O-CB 3.12Å; C104-S106 PolarHBondContact O-N 3.01Å; C104-S106 VanDerWaalsContact O-N 3.12Å; S106-Q108 PolarHBondContact O-N 3.47Å
107L98.5Very high96.1Very high0 Ų034.3 Ų34.30%019%0.185CC..  trans-66.1126-173.1-164.570.4000110.3L84 L87 C104 K105 A110 L127 H129 L130L84-L107 HydrophobicContact CD2-CD1 4.19Å; L84-L107 HydrophobicContact CG-CD1 4.11Å; L84-L107 WeakPolarHBondContact O-CA 2.91Å; L84-L107 PolarHBondContact O-N 3Å; L87-L107 HydrophobicContact CB-CD1 3.72Å; C104-L107 HydrophobicContact CB-CB 4.16Å; C104-L107 WeakPolarHBondContact O-CB 3.44Å; C104-L107 PolarHBondContact O-N 3.24Å; K105-L107 VanDerWaalsContact C-N 3.32Å; L107-A110 HydrophobicContact CD2-CB 3.97Å; L107-L127 HydrophobicContact CB-CD2 4.29Å; L107-L127 HydrophobicContact CD2-CD1 4.11Å; L107-L127 HydrophobicContact CD2-CD2 4.43Å; L107-H129 CarbonylContact O-C 3.49Å; L107-H129 VanDerWaalsContact O-C 3.22Å; L107-L130 HydrophobicContact CD2-CD1 4.21Å; L107-L130 HydrophobicContact CG-CD1 4.06Å; L107-L130 WeakPolarHBondContact O-CA 3.26Å; L107-L130 PolarHBondContact O-N 3.23Å
108Q98.6Very high95.5Very high84 Ų8438.4 Ų38.439%0.39321%0.206SC..  trans-115.9-38.9-178.6-72.9171.944.200111V85 S106 H129 L130 T131 T132V85-Q108 HydrophobicContact CG1-CB 3.99Å; V85-Q108 HydrophobicContact CG1-CG 4.16Å; V85-Q108 PolarHBondContact O-N 3.13Å; S106-Q108 PolarHBondContact O-N 3.47Å; Q108-H129 WeakPolarHBondContact CG-O 3.1Å; Q108-L130 WeakPolarHBondContact O-CD1 3.07Å; Q108-T131 PolarHBondContact O-N 3.07Å; Q108-T131 PolarHBondContact O-OG1 2.85Å; Q108-T131 VanDerWaalsContact O-OG1 3.06Å; Q108-T132 PolarHBondContact O-N 2.79Å
109V98.7Very high95.3Very high50 Ų5045.6 Ų45.630%0.30323%0.231SC..EExtended strand (participates in β ladder)trans-122.4124.8-178.9-1780000108.9V85 E86 L87 T132V85-V109 PolarHBondContact O-N 2.93Å; E86-V109 WeakPolarHBondContact CA-O 3.36Å; E86-V109 HydrophobicContact CB-CB 4.44Å; E86-V109 HydrophobicContact CG-CB 4.14Å; E86-V109 HydrophobicContact CG-CG1 4.27Å; L87-V109 PolarHBondContact N-O 3.47Å; V109-T132 HydrophobicContact CG1-CG2 4.5Å
110A98.3Very high95.2Very high1 Ų141.8 Ų41.81%0.00821%0.213CC..EExtended strand (participates in β ladder)trans-135.1127.4175.900000110.8L87 L107 F112 L130 T132 L133 S134L87-A110 VanDerWaalsContact O-CA 3.31Å; L87-A110 WeakPolarHBondContact O-CA 3.29Å; L107-A110 HydrophobicContact CD2-CB 3.97Å; A110-F112 HydrophobicContact CB-CE2 3.66Å; A110-F112 HydrophobicContact CB-CZ 3.87Å; A110-L130 HydrophobicContact CB-CD1 3.87Å; A110-T132 PolarHBondContact N-O 3.06Å; A110-L133 HydrophobicContact CB-CD1 4.13Å; A110-L133 WeakPolarHBondContact O-CA 3.29Å; A110-S134 PolarHBondContact O-N 3.33Å
111D97.9Very high95Very high42 Ų4238.8 Ų38.823%0.22520%0.198CC..EExtended strand (participates in β ladder)trans-122.2120.7172.6-165.8-10.9000110.3L87 L89 S90 S113 S134L87-D111 PolarHBondContact O-N 2.81Å; L89-D111 PolarHBondContact N-O 2.79Å; S90-D111 PolarHBondContact N-O 2.82Å; D111-S113 WeakPolarHBondContact OD1-CB 3.22Å; D111-S113 PolarHBondContact OD1-N 2.92Å; D111-S113 PolarHBondContact OD1-OG 2.92Å; D111-S134 WeakPolarHBondContact CA-O 3.23Å; D111-S134 WeakPolarHBondContact OD1-CB 3.2Å
112F96.8Very high94.7Very high2 Ų246.5 Ų46.51%0.00923%0.234CC..  trans-119.610.4176.5-53.8-65.6000112L87 L89 L97 I101 A110 N115 F124 L133 S134 I135 I138L87-F112 HydrophobicContact CD2-CE1 4.13Å; L87-F112 HydrophobicContact CD2-CZ 4.34Å; L89-F112 HydrophobicContact CB-CD1 4.1Å; L89-F112 HydrophobicContact CD1-CD1 3.96Å; L89-F112 HydrophobicContact CD1-CE1 3.75Å; L89-F112 HydrophobicContact CG-CD1 4.29Å; L89-F112 HydrophobicContact CG-CE1 4.22Å; L97-F112 HydrophobicContact CD1-CD1 4.19Å; L97-F112 HydrophobicContact CD1-CD2 4.09Å; L97-F112 HydrophobicContact CD1-CE1 4.18Å; L97-F112 HydrophobicContact CD1-CE2 4.07Å; L97-F112 HydrophobicContact CD1-CG 4.15Å; L97-F112 HydrophobicContact CD1-CZ 4.12Å; L97-F112 HydrophobicContact CD2-CD1 3.96Å; L97-F112 HydrophobicContact CD2-CE1 3.97Å; I101-F112 HydrophobicContact CD1-CE1 4.06Å; I101-F112 HydrophobicContact CD1-CZ 3.65Å; A110-F112 HydrophobicContact CB-CE2 3.66Å; A110-F112 HydrophobicContact CB-CZ 3.87Å; F112-N115 WeakPolarHBondContact O-CB 3.5Å; F112-N115 PolarHBondContact O-ND2 3.33Å; F112-F124 AromaticContact CE2-CE2 3.68Å; F112-F124 HydrophobicContact CE2-CE2 3.68Å; F112-F124 AromaticContact CE2-CZ 3.75Å; F112-F124 HydrophobicContact CE2-CZ 3.75Å; F112-F124 HydrophobicContact CZ-CE2 4.21Å; F112-L133 HydrophobicContact CD2-CD1 4.1Å; F112-L133 HydrophobicContact CE2-CD1 4.08Å; F112-S134 PolarHBondContact N-O 2.96Å; F112-I135 HydrophobicContact CD2-CG1 4.24Å; F112-I138 WeakPolarHBondContact O-CG2 3.13Å
113S96.3Very high94.6Very high2 Ų246.5 Ų46.51%0.01423%0.234CC..THydrogen-bonded Turntrans-60148.4-172.6-530000112.6S90 R91 D111 N115 N136S90-S113 CarbonylContact C-O 3.57Å; S90-S113 WeakPolarHBondContact CA-O 3.28Å; S90-S113 VanDerWaalsContact CB-O 3.31Å; S90-S113 WeakPolarHBondContact CB-O 3.15Å; R91-S113 PolarHBondContact N-O 3.31Å; D111-S113 WeakPolarHBondContact OD1-CB 3.22Å; D111-S113 PolarHBondContact OD1-N 2.92Å; D111-S113 PolarHBondContact OD1-OG 2.92Å; S113-N115 VanDerWaalsContact C-N 3.31Å; S113-N115 PolarHBondContact O-N 3.01Å; S113-N115 PolarHBondContact O-ND2 2.99Å; S113-N136 CarbonylContact C-O 3.6Å; S113-N136 WeakPolarHBondContact CA-O 3.44Å; S113-N136 WeakPolarHBondContact CB-O 3.16Å; S113-N136 PolarHBondContact OG-N 3.15Å
114G94Very high94.5Very high12 Ų1243.3 Ų43.312%0.12422%0.217CC..THydrogen-bonded Turntrans66.631.1177.200000113.9R91 N92 N136 D137R91-G114 WeakPolarHBondContact CA-O 3.49Å; N92-G114 PolarHBondContact N-O 3.36Å; G114-N136 PolarHBondContact N-O 3.1Å; G114-D137 WeakPolarHBondContact CA-O 3.46Å; G114-D137 PolarHBondContact N-O 2.96Å
115N93.6Very high94.3Very high5 Ų543.4 Ų43.43%0.02722%0.217CC..SBendtrans-113.2150.3169.4-78.5-85000109.8L89 N92 I94 F112 S113 L117 I138L89-N115 PolarHBondContact O-ND2 3.17Å; N92-N115 WeakPolarHBondContact CA-OD1 3.34Å; N92-N115 WeakPolarHBondContact CB-OD1 3.25Å; N92-N115 PolarHBondContact N-OD1 3.01Å; N92-N115 PolarHBondContact O-OD1 2.9Å; N92-N115 VanDerWaalsContact O-OD1 3.09Å; I94-N115 HydrophobicContact CB-CB 4.31Å; I94-N115 VanDerWaalsContact CB-OD1 3.25Å; I94-N115 WeakPolarHBondContact CB-OD1 3.08Å; I94-N115 WeakPolarHBondContact CG1-OD1 3.24Å; I94-N115 PolarHBondContact N-OD1 2.84Å; F112-N115 WeakPolarHBondContact O-CB 3.5Å; F112-N115 PolarHBondContact O-ND2 3.33Å; S113-N115 VanDerWaalsContact C-N 3.31Å; S113-N115 PolarHBondContact O-N 3.01Å; S113-N115 PolarHBondContact O-ND2 2.99Å; N115-L117 HydrophobicContact CB-CB 4.49Å; N115-L117 PolarHBondContact O-N 3.29Å; N115-I138 HydrophobicContact CB-CG2 4.48Å; N115-I138 WeakPolarHBondContact O-CA 3.26Å; N115-I138 WeakPolarHBondContact O-CB 3.47Å; N115-I138 WeakPolarHBondContact O-CG2 3.32Å
116P90.8Very high94.4Very high61 Ų6142.2 Ų42.240%0.39621%0.214SC..  trans-75.846175.333.9-37.5000113.1I94 I95I94-P116 CarbonylContact O-C 3.01Å; I94-P116 WeakPolarHBondContact O-CD 3.38Å; I95-P116 HydrophobicContact CG1-CG 4.2Å
117L90Very high94.4Very high1 Ų139.9 Ų39.91%0.00520%0.198CC..  trans-80.8117.7-175.1179.767.1000111I95 L97 N115 R119 L120 I138I95-L117 WeakPolarHBondContact O-CD1 3.26Å; L97-L117 HydrophobicContact CD1-CD2 3.73Å; L97-L117 HydrophobicContact CG-CD1 4.03Å; L97-L117 HydrophobicContact CG-CD2 3.88Å; N115-L117 HydrophobicContact CB-CB 4.49Å; N115-L117 PolarHBondContact O-N 3.29Å; L117-R119 VanDerWaalsContact CD1-O 3.28Å; L117-R119 WeakPolarHBondContact CD1-O 3.37Å; L117-R119 WeakPolarHBondContact CG-O 3.45Å; L117-L120 HydrophobicContact CD2-CD2 4.04Å; L117-I138 CarbonylContact C-O 3.22Å; L117-I138 HydrophobicContact CB-CB 4.08Å; L117-I138 HydrophobicContact CB-CD1 3.63Å; L117-I138 HydrophobicContact CB-CG1 4.41Å; L117-I138 HydrophobicContact CB-CG2 4.49Å; L117-I138 HydrophobicContact CD2-CD1 3.74Å; L117-I138 HydrophobicContact CG-CD1 3.8Å; L117-I138 VanDerWaalsContact O-CD1 3.3Å; L117-I138 WeakPolarHBondContact O-CD1 3.3Å
118L85.3Confident94.1Very high99 Ų9945.2 Ų45.252%0.51822%0.222SC..  trans-79.8-28-176.9-64.9174.4000114.1
119R91.2Very high94Very high174 Ų17445.9 Ų45.966%0.65723%0.225SC*.  trans-158.6156.4-175.965.2179.5-178.6169.92.9112L117L117-R119 VanDerWaalsContact CD1-O 3.28Å; L117-R119 WeakPolarHBondContact CD1-O 3.37Å; L117-R119 WeakPolarHBondContact CG-O 3.45Å
120L94.3Very high94Very high10 Ų1043.5 Ų43.55%0.05221%0.211CC..  trans-83.1147.1162-61.6175.7000110.5L97 L117 F124 I135 P144L97-L120 HydrophobicContact CD1-CD2 4.02Å; L117-L120 HydrophobicContact CD2-CD2 4.04Å; L120-F124 HydrophobicContact CB-CB 4.3Å; L120-F124 HydrophobicContact CB-CG 4.33Å; L120-F124 HydrophobicContact CD1-CD1 4.09Å; L120-F124 HydrophobicContact CD1-CE1 4.33Å; L120-F124 HydrophobicContact CD1-CG 4.44Å; L120-F124 HydrophobicContact CD2-CD2 4.23Å; L120-F124 HydrophobicContact CD2-CE2 4.22Å; L120-F124 HydrophobicContact CD2-CG 4.45Å; L120-F124 HydrophobicContact CD2-CZ 4.46Å; L120-I135 HydrophobicContact CD1-CD1 3.67Å; L120-I135 HydrophobicContact CD2-CD1 3.83Å; L120-I135 HydrophobicContact CG-CD1 4.2Å; L120-P144 HydrophobicContact CB-CG 3.88Å; L120-P144 HydrophobicContact CD1-CG 4.34Å
121P93.8Very high94Very high7 Ų745.3 Ų45.35%0.04522%0.222CC..  trans-67153.717422.7-27.6000111.6L97 E99 I101 S123 F124L97-P121 HydrophobicContact CB-CG 4.15Å; E99-P121 VanDerWaalsContact CD-CB 3.45Å; E99-P121 HydrophobicContact CG-CB 4.38Å; E99-P121 VanDerWaalsContact OE1-CB 3.23Å; E99-P121 WeakPolarHBondContact OE1-CB 3.43Å; I101-P121 HydrophobicContact CG2-CG 4.08Å; P121-S123 PolarHBondContact O-N 3.1Å; P121-F124 HydrophobicContact CG-CB 4.05Å; P121-F124 HydrophobicContact CG-CD2 4.23Å; P121-F124 WeakPolarHBondContact O-CB 3.27Å; P121-F124 PolarHBondContact O-N 3.09Å
122E89.3Confident94Very high162 Ų16244.3 Ų44.376%0.75722%0.217SC*.G310 helixtrans-65-31.6-177.6-71.9-173.7175.200112.3E99 F124 N146E99-E122 PolarHBondContact OE1-N 3.15Å; E122-F124 PolarHBondContact O-N 3.36Å; E122-N146 PolarHBondContact O-ND2 3.46Å
123S94.3Very high94.1Very high10 Ų1044.2 Ų44.27%0.0722%0.217CC..G310 helixtrans-73.2-8.5175.164.30000114E99 S102 P121 A125 Q126E99-S123 WeakPolarHBondContact CA-OG 3.49Å; E99-S123 PolarHBondContact O-OG 2.82Å; E99-S123 WeakPolarHBondContact OE2-CB 3.17Å; E99-S123 PolarHBondContact OE2-N 2.79Å; E99-S123 VanDerWaalsContact OE2-N 3.1Å; E99-S123 PolarHBondContact OE2-OG 3.41Å; S102-S123 VanDerWaalsContact CB-O 3.31Å; S102-S123 WeakPolarHBondContact CB-O 3.45Å; S102-S123 PolarHBondContact OG-OG 2.87Å; P121-S123 PolarHBondContact O-N 3.1Å; S123-A125 PolarHBondContact O-N 3.28Å; S123-Q126 WeakPolarHBondContact O-CB 3.47Å; S123-Q126 VanDerWaalsContact O-CG 3.25Å; S123-Q126 WeakPolarHBondContact O-CG 3.47Å; S123-Q126 PolarHBondContact O-N 3.2Å
124F94.8Very high94.2Very high0 Ų044.2 Ų44.20%022%0.217CC..G310 helixtrans-57-37.7-175.8-166.5-88.1000112.4L97 I101 F112 L120 P121 E122 Q126 L127 L130 L133L97-F124 HydrophobicContact CD1-CD2 4.45Å; L97-F124 HydrophobicContact CD1-CE2 4.18Å; I101-F124 HydrophobicContact CD1-CE2 4.41Å; I101-F124 HydrophobicContact CG2-CD2 4.06Å; F112-F124 AromaticContact CE2-CE2 3.68Å; F112-F124 HydrophobicContact CE2-CE2 3.68Å; F112-F124 AromaticContact CE2-CZ 3.75Å; F112-F124 HydrophobicContact CE2-CZ 3.75Å; F112-F124 HydrophobicContact CZ-CE2 4.21Å; L120-F124 HydrophobicContact CB-CB 4.3Å; L120-F124 HydrophobicContact CB-CG 4.33Å; L120-F124 HydrophobicContact CD1-CD1 4.09Å; L120-F124 HydrophobicContact CD1-CE1 4.33Å; L120-F124 HydrophobicContact CD1-CG 4.44Å; L120-F124 HydrophobicContact CD2-CD2 4.23Å; L120-F124 HydrophobicContact CD2-CE2 4.22Å; L120-F124 HydrophobicContact CD2-CG 4.45Å; L120-F124 HydrophobicContact CD2-CZ 4.46Å; P121-F124 HydrophobicContact CG-CB 4.05Å; P121-F124 HydrophobicContact CG-CD2 4.23Å; P121-F124 WeakPolarHBondContact O-CB 3.27Å; P121-F124 PolarHBondContact O-N 3.09Å; E122-F124 PolarHBondContact O-N 3.36Å; F124-Q126 PolarHBondContact O-N 2.87Å; F124-L127 HydrophobicContact CD1-CD1 4.44Å; F124-L127 HydrophobicContact CD2-CD1 4.11Å; F124-L127 HydrophobicContact CE1-CD1 4.19Å; F124-L127 HydrophobicContact CE2-CD1 3.86Å; F124-L127 HydrophobicContact CG-CD1 4.38Å; F124-L127 HydrophobicContact CZ-CD1 3.89Å; F124-L127 WeakPolarHBondContact O-CB 3.27Å; F124-L127 WeakPolarHBondContact O-CG 3.18Å; F124-L127 PolarHBondContact O-N 3.39Å; F124-L127 VanDerWaalsContact O-N 3.13Å; F124-L130 HydrophobicContact CE1-CD2 4.08Å; F124-L130 HydrophobicContact CZ-CD2 4.36Å; F124-L133 HydrophobicContact CE1-CD1 4.1Å; F124-L133 HydrophobicContact CE1-CD2 3.64Å; F124-L133 HydrophobicContact CZ-CD1 3.77Å; F124-L133 HydrophobicContact CZ-CD2 4.19Å
125A94.1Very high94.2Very high2 Ų243.7 Ų43.72%0.01721%0.211CC..G310 helixtrans-66.3-3.317800000114.4S123 L127 N146 S149S123-A125 PolarHBondContact O-N 3.28Å; A125-L127 VanDerWaalsContact C-N 3.29Å; A125-N146 HydrophobicContact CB-CB 4.24Å; A125-N146 VanDerWaalsContact CB-CG 3.48Å; A125-N146 WeakPolarHBondContact CB-O 3.43Å; A125-N146 WeakPolarHBondContact CB-OD1 3.33Å; A125-S149 WeakPolarHBondContact O-CB 3.21Å
126Q95.6Very high94.3Very high114 Ų11443.7 Ų43.753%0.53321%0.212SC..G310 helixtrans-79.7-8.7172.6-59.6176.817.100113.2S123 F124 Q128S123-Q126 WeakPolarHBondContact O-CB 3.47Å; S123-Q126 VanDerWaalsContact O-CG 3.25Å; S123-Q126 WeakPolarHBondContact O-CG 3.47Å; S123-Q126 PolarHBondContact O-N 3.2Å; F124-Q126 PolarHBondContact O-N 2.87Å; Q126-Q128 PolarHBondContact O-N 3.35Å
127L96.4Very high94.3Very high0 Ų041.4 Ų41.40%020%0.196CC..  trans-73.563.4174.4-65171.5000111.3C104 L107 F124 A125 H129 L130 L150C104-L127 HydrophobicContact CB-CD2 4.38Å; C104-L127 VanDerWaalsContact O-CD2 3.3Å; C104-L127 WeakPolarHBondContact O-CD2 2.98Å; L107-L127 HydrophobicContact CB-CD2 4.29Å; L107-L127 HydrophobicContact CD2-CD1 4.11Å; L107-L127 HydrophobicContact CD2-CD2 4.43Å; F124-L127 HydrophobicContact CD1-CD1 4.44Å; F124-L127 HydrophobicContact CD2-CD1 4.11Å; F124-L127 HydrophobicContact CE1-CD1 4.19Å; F124-L127 HydrophobicContact CE2-CD1 3.86Å; F124-L127 HydrophobicContact CG-CD1 4.38Å; F124-L127 HydrophobicContact CZ-CD1 3.89Å; F124-L127 WeakPolarHBondContact O-CB 3.27Å; F124-L127 WeakPolarHBondContact O-CG 3.18Å; F124-L127 PolarHBondContact O-N 3.39Å; F124-L127 VanDerWaalsContact O-N 3.13Å; A125-L127 VanDerWaalsContact C-N 3.29Å; L127-H129 PolarHBondContact O-N 2.97Å; L127-L130 HydrophobicContact CB-CB 4.31Å; L127-L130 VanDerWaalsContact O-CB 3.22Å; L127-L130 WeakPolarHBondContact O-CB 3.41Å; L127-L130 PolarHBondContact O-N 3.22Å; L127-L150 HydrophobicContact CB-CD2 4.16Å; L127-L150 VanDerWaalsContact O-CD2 3.24Å; L127-L150 WeakPolarHBondContact O-CD2 3.15Å
128Q92.8Very high94.3Very high111 Ų11141.4 Ų41.452%0.51920%0.196SC..THydrogen-bonded Turntrans-64.8-17-169.3-67.6-179.7-3.300114.6Q126 Y152Q126-Q128 PolarHBondContact O-N 3.35Å; Q128-Y152 WeakPolarHBondContact O-CD2 3.37Å
129H96.7Very high94.5Very high98 Ų9838.7 Ų38.745%0.45419%0.185SC..THydrogen-bonded Turntrans-90.1-1.8177.1-72.9-73.9000113.6K105 L107 Q108 L127 T131K105-H129 PolarHBondContact O-CD2 3.34Å; L107-H129 CarbonylContact O-C 3.49Å; L107-H129 VanDerWaalsContact O-C 3.22Å; Q108-H129 WeakPolarHBondContact CG-O 3.1Å; L127-H129 PolarHBondContact O-N 2.97Å; H129-T131 PolarHBondContact O-N 2.54Å
130L98.3Very high94.6Very high0 Ų030.4 Ų30.40%015%0.154CC..  trans-63.7124.5-179.3-157.972.6000110.4L107 Q108 A110 F124 L127 L133 L150 Y152 L153L107-L130 HydrophobicContact CD2-CD1 4.21Å; L107-L130 HydrophobicContact CG-CD1 4.06Å; L107-L130 WeakPolarHBondContact O-CA 3.26Å; L107-L130 PolarHBondContact O-N 3.23Å; Q108-L130 WeakPolarHBondContact O-CD1 3.07Å; A110-L130 HydrophobicContact CB-CD1 3.87Å; F124-L130 HydrophobicContact CE1-CD2 4.08Å; F124-L130 HydrophobicContact CZ-CD2 4.36Å; L127-L130 HydrophobicContact CB-CB 4.31Å; L127-L130 VanDerWaalsContact O-CB 3.22Å; L127-L130 WeakPolarHBondContact O-CB 3.41Å; L127-L130 PolarHBondContact O-N 3.22Å; L130-L133 HydrophobicContact CD2-CB 3.83Å; L130-L133 HydrophobicContact CD2-CD1 4.11Å; L130-L133 HydrophobicContact CD2-CD2 4.02Å; L130-L133 HydrophobicContact CD2-CG 4.21Å; L130-L150 HydrophobicContact CB-CD2 4.37Å; L130-L150 HydrophobicContact CD2-CD1 4.23Å; L130-Y152 CarbonylContact O-C 3.22Å; L130-L153 HydrophobicContact CB-CD1 4.36Å; L130-L153 HydrophobicContact CD2-CD1 4.13Å; L130-L153 HydrophobicContact CG-CD1 4.08Å; L130-L153 WeakPolarHBondContact O-CA 3.23Å; L130-L153 PolarHBondContact O-N 3.25Å; L130-L153 VanDerWaalsContact O-N 3.12Å
131T98.4Very high94.5Very high39 Ų3935.6 Ų35.624%0.23918%0.178CC..  trans-107.8-29.9178.158.60000111.8Q108 H129 V154 S155Q108-T131 PolarHBondContact O-N 3.07Å; Q108-T131 PolarHBondContact O-OG1 2.85Å; Q108-T131 VanDerWaalsContact O-OG1 3.06Å; H129-T131 PolarHBondContact O-N 2.54Å; T131-V154 WeakPolarHBondContact O-CA 3.08Å; T131-V154 PolarHBondContact O-N 3.01Å; T131-S155 PolarHBondContact O-N 3.13Å
132T98.5Very high94.5Very high21 Ų2138.3 Ų38.313%0.12919%0.194CC..EExtended strand (participates in β ladder)trans-135.9126.5-178.6-55.40000109.8Q108 V109 A110 S155Q108-T132 PolarHBondContact O-N 2.79Å; V109-T132 HydrophobicContact CG1-CG2 4.5Å; A110-T132 PolarHBondContact N-O 3.06Å; T132-S155 WeakPolarHBondContact CA-O 2.99Å
133L98.1Very high94.8Very high0 Ų030.8 Ų30.80%016%0.16CC..EExtended strand (participates in β ladder)trans-131.6114.8177-179.855.6000110A110 F112 F124 L130 I135 L150 L153 S155 L156 E157A110-L133 HydrophobicContact CB-CD1 4.13Å; A110-L133 WeakPolarHBondContact O-CA 3.29Å; F112-L133 HydrophobicContact CD2-CD1 4.1Å; F112-L133 HydrophobicContact CE2-CD1 4.08Å; F124-L133 HydrophobicContact CE1-CD1 4.1Å; F124-L133 HydrophobicContact CE1-CD2 3.64Å; F124-L133 HydrophobicContact CZ-CD1 3.77Å; F124-L133 HydrophobicContact CZ-CD2 4.19Å; L130-L133 HydrophobicContact CD2-CB 3.83Å; L130-L133 HydrophobicContact CD2-CD1 4.11Å; L130-L133 HydrophobicContact CD2-CD2 4.02Å; L130-L133 HydrophobicContact CD2-CG 4.21Å; L133-I135 HydrophobicContact CD1-CD1 3.63Å; L133-I135 HydrophobicContact CD1-CG1 3.61Å; L133-I135 HydrophobicContact CD2-CD1 3.58Å; L133-I135 HydrophobicContact CD2-CG1 4.4Å; L133-I135 HydrophobicContact CG-CD1 3.52Å; L133-I135 HydrophobicContact CG-CG1 3.79Å; L133-L150 HydrophobicContact CD2-CD1 4.32Å; L133-L153 HydrophobicContact CB-CD1 3.92Å; L133-S155 PolarHBondContact N-O 2.93Å; L133-L156 HydrophobicContact CB-CD1 4.09Å; L133-L156 HydrophobicContact CD2-CD1 3.9Å; L133-L156 HydrophobicContact CG-CD1 4.08Å; L133-E157 PolarHBondContact O-N 3.41Å
134S97.3Very high94.8Very high3 Ų331.2 Ų31.22%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-110.9120.2175-66.20000110.2A110 D111 F112 E157A110-S134 PolarHBondContact O-N 3.33Å; D111-S134 WeakPolarHBondContact CA-O 3.23Å; D111-S134 WeakPolarHBondContact OD1-CB 3.2Å; F112-S134 PolarHBondContact N-O 2.96Å; S134-E157 PolarHBondContact OG-OE2 3.25Å
135I95.3Very high94.8Very high0 Ų037.3 Ų37.30%019%0.19CC..  trans-139.451.2-178.6-51163000108.8F112 L120 L133 I138 E157 L158 N161F112-I135 HydrophobicContact CD2-CG1 4.24Å; L120-I135 HydrophobicContact CD1-CD1 3.67Å; L120-I135 HydrophobicContact CD2-CD1 3.83Å; L120-I135 HydrophobicContact CG-CD1 4.2Å; L133-I135 HydrophobicContact CD1-CD1 3.63Å; L133-I135 HydrophobicContact CD1-CG1 3.61Å; L133-I135 HydrophobicContact CD2-CD1 3.58Å; L133-I135 HydrophobicContact CD2-CG1 4.4Å; L133-I135 HydrophobicContact CG-CD1 3.52Å; L133-I135 HydrophobicContact CG-CG1 3.79Å; I135-I138 HydrophobicContact CG2-CB 4.42Å; I135-I138 HydrophobicContact CG2-CD1 3.01Å; I135-I138 HydrophobicContact CG2-CG1 3.55Å; I135-I138 HydrophobicContact CG2-CG2 4.02Å; I135-E157 PolarHBondContact N-O 3.39Å; I135-L158 HydrophobicContact CB-CD2 4.13Å; I135-L158 HydrophobicContact CD1-CD2 4.19Å; I135-N161 PolarHBondContact O-ND2 3.07Å
136N94.7Very high94.8Very high6 Ų640.2 Ų40.23%0.03221%0.206CC..  trans-81.8146-178.2-57.5-53.5000111S113 G114 I138 E157 L158 R159 T478S113-N136 CarbonylContact C-O 3.6Å; S113-N136 WeakPolarHBondContact CA-O 3.44Å; S113-N136 WeakPolarHBondContact CB-O 3.16Å; S113-N136 PolarHBondContact OG-N 3.15Å; G114-N136 PolarHBondContact N-O 3.1Å; N136-I138 PolarHBondContact O-N 3.14Å; N136-E157 PolarHBondContact ND2-OE2 2.85Å; N136-E157 VanDerWaalsContact OD1-C 3.31Å; N136-E157 WeakPolarHBondContact OD1-CB 3.27Å; N136-L158 PolarHBondContact OD1-N 2.96Å; N136-R159 CarbonylContact C-O 3.15Å; N136-R159 VanDerWaalsContact CA-O 3.22Å; N136-R159 WeakPolarHBondContact CA-O 3.45Å; N136-R159 WeakPolarHBondContact OD1-CB 3.31Å; N136-R159 PolarHBondContact OD1-N 3.04Å; N136-T478 HydrophobicContact CB-CG2 4.36Å
137D91.9Very high94.9Very high12 Ų1234.8 Ų34.86%0.06418%0.18CC..SBendtrans50.558.1175.1-174.128.1000113.9G114 R159 E160 H480 K488G114-D137 WeakPolarHBondContact CA-O 3.46Å; G114-D137 PolarHBondContact N-O 2.96Å; D137-R159 PolarHBondContact N-O 2.97Å; D137-E160 VanDerWaalsContact CA-O 3.31Å; D137-E160 WeakPolarHBondContact CA-O 3.34Å; D137-E160 HydrophobicContact CB-CB 4.04Å; D137-H480 IonicContact OD2-CD2 3.04Å; D137-H480 PolarHBondContact OD2-CD2 3.27Å; D137-H480 IonicContact OD2-CG 3.34Å; D137-H480 IonicContact OD2-NE2 3.98Å; D137-K488 IonicContact OD1-NZ 2.88Å; D137-K488 PolarHBondContact OD1-NZ 3.06Å; D137-K488 IonicContact OD2-NZ 2.87Å; D137-K488 PolarHBondContact OD2-NZ 2.84Å
138I90.4Very high94.9Very high2 Ų234.9 Ų34.91%0.0118%0.181CC..SBendtrans-119-1.217372.4158.4000114.5F112 N115 L117 I135 N136 L140 N161F112-I138 WeakPolarHBondContact O-CG2 3.13Å; N115-I138 HydrophobicContact CB-CG2 4.48Å; N115-I138 WeakPolarHBondContact O-CA 3.26Å; N115-I138 WeakPolarHBondContact O-CB 3.47Å; N115-I138 WeakPolarHBondContact O-CG2 3.32Å; L117-I138 CarbonylContact C-O 3.22Å; L117-I138 HydrophobicContact CB-CB 4.08Å; L117-I138 HydrophobicContact CB-CD1 3.63Å; L117-I138 HydrophobicContact CB-CG1 4.41Å; L117-I138 HydrophobicContact CB-CG2 4.49Å; L117-I138 HydrophobicContact CD2-CD1 3.74Å; L117-I138 HydrophobicContact CG-CD1 3.8Å; L117-I138 VanDerWaalsContact O-CD1 3.3Å; L117-I138 WeakPolarHBondContact O-CD1 3.3Å; I135-I138 HydrophobicContact CG2-CB 4.42Å; I135-I138 HydrophobicContact CG2-CD1 3.01Å; I135-I138 HydrophobicContact CG2-CG1 3.55Å; I135-I138 HydrophobicContact CG2-CG2 4.02Å; N136-I138 PolarHBondContact O-N 3.14Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-L140 HydrophobicContact CD1-CB 3.84Å; I138-L140 HydrophobicContact CD1-CD1 4.05Å; I138-L140 HydrophobicContact CD1-CD2 4.49Å; I138-L140 HydrophobicContact CD1-CG 4.35Å; I138-L140 HydrophobicContact CG1-CB 3.74Å; I138-N161 WeakPolarHBondContact CG1-OD1 3.44Å; I138-N161 PolarHBondContact N-OD1 3.28Å; I138-N161 VanDerWaalsContact N-OD1 3.11Å
139S89.1Confident95.1Very high42 Ų4231.8 Ų31.829%0.29417%0.172SC..  trans60.936.9-169.6-54.40000113.8Q141 N161 V162S139-Q141 PolarHBondContact O-N 2.99Å; S139-N161 PolarHBondContact N-OD1 3.4Å; S139-N161 VanDerWaalsContact N-OD1 3.14Å; S139-V162 WeakPolarHBondContact O-CG2 3.36Å
140L93Very high95.1Very high0 Ų027.1 Ų27.10%015%0.15CC..  trans-64.4125.8176.8-17062.7000110.8I138 T142 L143 L158 N161 V162 L163I138-L140 VanDerWaalsContact C-N 3.33Å; I138-L140 HydrophobicContact CD1-CB 3.84Å; I138-L140 HydrophobicContact CD1-CD1 4.05Å; I138-L140 HydrophobicContact CD1-CD2 4.49Å; I138-L140 HydrophobicContact CD1-CG 4.35Å; I138-L140 HydrophobicContact CG1-CB 3.74Å; L140-T142 WeakPolarHBondContact CD1-O 3.23Å; L140-L143 HydrophobicContact CD2-CD2 3.85Å; L140-L158 HydrophobicContact CD2-CD2 4.12Å; L140-N161 HydrophobicContact CB-CB 3.95Å; L140-N161 WeakPolarHBondContact CB-OD1 3.46Å; L140-N161 PolarHBondContact N-OD1 2.73Å; L140-V162 CarbonylContact O-C 3.21Å; L140-V162 VanDerWaalsContact O-C 3.28Å; L140-V162 WeakPolarHBondContact O-CG2 3.44Å; L140-V162 PolarHBondContact O-N 3.1Å; L140-L163 HydrophobicContact CB-CD2 4.47Å; L140-L163 HydrophobicContact CD2-CD2 4.19Å; L140-L163 HydrophobicContact CG-CD2 4.05Å; L140-L163 PolarHBondContact O-N 3.11Å
141Q91.9Very high94.9Very high118 Ų11829.5 Ų29.555%0.55117%0.167SC*.  trans-90.6-37.2-179.1-65.9178.124.900113.2S139 V162S139-Q141 PolarHBondContact O-N 2.99Å; Q141-V162 HydrophobicContact CB-CG2 4.5Å; Q141-V162 HydrophobicContact CG-CG2 3.77Å
142T94.1Very high94.9Very high64 Ų6432.8 Ų32.839%0.39318%0.176SC..  trans-144149.7-179.262.60000111.1L140 F165L140-T142 WeakPolarHBondContact CD1-O 3.23Å; T142-F165 HydrophobicContact CG2-CE1 4.06Å; T142-F165 HydrophobicContact CG2-CZ 3.89Å
143L95.3Very high94.9Very high5 Ų531.8 Ų31.83%0.02617%0.17CC..  trans-85.7152.2163.9-68.2169.8000110.1L140 L158 L163 L166 P167L140-L143 HydrophobicContact CD2-CD2 3.85Å; L143-L158 HydrophobicContact CD1-CD1 3.71Å; L143-L158 HydrophobicContact CD2-CD1 3.84Å; L143-L158 HydrophobicContact CD2-CD2 3.89Å; L143-L158 HydrophobicContact CG-CD1 4.24Å; L143-L163 HydrophobicContact CG-CD1 4.45Å; L143-L163 HydrophobicContact CG-CD2 4.26Å; L143-L166 HydrophobicContact CD1-CD2 4.13Å; L143-P167 HydrophobicContact CB-CG 3.98Å; L143-P167 HydrophobicContact CD1-CG 4.48Å
144P94.4Very high94.9Very high18 Ų1834.2 Ų34.212%0.11718%0.184CC..  trans-58.8138.3169.9-23.533.8000112.2L120 N146 I147L120-P144 HydrophobicContact CB-CG 3.88Å; L120-P144 HydrophobicContact CD1-CG 4.34Å; P144-N146 VanDerWaalsContact CB-OD1 3.23Å; P144-N146 WeakPolarHBondContact CB-OD1 3.41Å; P144-N146 PolarHBondContact O-N 3.07Å; P144-I147 WeakPolarHBondContact O-CB 3.26Å; P144-I147 PolarHBondContact O-N 3.24Å
145E94.6Very high95Very high128 Ų12834.2 Ų34.260%0.59818%0.184SC*.THydrogen-bonded Turntrans-58.7-21.2178.8-73.2-61.9154.800113.6S169E145-S169 WeakPolarHBondContact O-CB 3.33Å; E145-S169 PolarHBondContact O-OG 3Å
146N95.1Very high95.1Very high63 Ų6334.2 Ų34.234%0.33718%0.184SC..THydrogen-bonded Turntrans-100.413.6179.662.1-12.5000113.7E122 A125 P144 G148 S149E122-N146 PolarHBondContact O-ND2 3.46Å; A125-N146 HydrophobicContact CB-CB 4.24Å; A125-N146 VanDerWaalsContact CB-CG 3.48Å; A125-N146 WeakPolarHBondContact CB-O 3.43Å; A125-N146 WeakPolarHBondContact CB-OD1 3.33Å; P144-N146 VanDerWaalsContact CB-OD1 3.23Å; P144-N146 WeakPolarHBondContact CB-OD1 3.41Å; P144-N146 PolarHBondContact O-N 3.07Å; N146-G148 PolarHBondContact O-N 2.82Å; N146-S149 VanDerWaalsContact O-CB 3.28Å; N146-S149 WeakPolarHBondContact O-CB 3.48Å; N146-S149 PolarHBondContact O-N 3Å; N146-S149 PolarHBondContact O-OG 2.98Å
147I96.4Very high95.2Very high0 Ų034.5 Ų34.50%019%0.186CC..G310 helixtrans-52.9-31.2-178.6-165.168.1000112.9P144 S149 L150 P167 L170P144-I147 WeakPolarHBondContact O-CB 3.26Å; P144-I147 PolarHBondContact O-N 3.24Å; I147-S149 PolarHBondContact O-N 2.79Å; I147-L150 HydrophobicContact CD1-CD1 3.54Å; I147-L150 HydrophobicContact CD1-CG 4.44Å; I147-L150 HydrophobicContact CG1-CD1 4.3Å; I147-L150 WeakPolarHBondContact O-CB 3.41Å; I147-L150 WeakPolarHBondContact O-CG 3.19Å; I147-L150 PolarHBondContact O-N 3.06Å; I147-L150 VanDerWaalsContact O-N 3.1Å; I147-P167 HydrophobicContact CG2-CG 3.62Å; I147-L170 HydrophobicContact CG2-CB 4.44Å; I147-L170 HydrophobicContact CG2-CD1 4.14Å
148G96.2Very high95.5Very high2 Ų234 Ų342%0.02118%0.183CC..G310 helixtrans-55.4-17.1172.700000116.1N146 L150 S169N146-G148 PolarHBondContact O-N 2.82Å; G148-L150 PolarHBondContact O-N 2.83Å; G148-S169 WeakPolarHBondContact CA-O 3.44Å; G148-S169 PolarHBondContact N-OG 3.37Å
149S96.7Very high95.7Very high46 Ų4635.4 Ų35.432%0.32219%0.188SC..G310 helixtrans-69.6-16.8177-500000113.1A125 N146 I147 S151A125-S149 WeakPolarHBondContact O-CB 3.21Å; N146-S149 VanDerWaalsContact O-CB 3.28Å; N146-S149 WeakPolarHBondContact O-CB 3.48Å; N146-S149 PolarHBondContact O-N 3Å; N146-S149 PolarHBondContact O-OG 2.98Å; I147-S149 PolarHBondContact O-N 2.79Å; S149-S151 PolarHBondContact O-N 2.68Å
150L97.1Very high95.9Very high0 Ų034.1 Ų34.10%018%0.177CC..  trans-7455173.5-58.5178.6000111.1L127 L130 L133 I147 G148 Y152 L153 L173L127-L150 HydrophobicContact CB-CD2 4.16Å; L127-L150 VanDerWaalsContact O-CD2 3.24Å; L127-L150 WeakPolarHBondContact O-CD2 3.15Å; L130-L150 HydrophobicContact CB-CD2 4.37Å; L130-L150 HydrophobicContact CD2-CD1 4.23Å; L133-L150 HydrophobicContact CD2-CD1 4.32Å; I147-L150 HydrophobicContact CD1-CD1 3.54Å; I147-L150 HydrophobicContact CD1-CG 4.44Å; I147-L150 HydrophobicContact CG1-CD1 4.3Å; I147-L150 WeakPolarHBondContact O-CB 3.41Å; I147-L150 WeakPolarHBondContact O-CG 3.19Å; I147-L150 PolarHBondContact O-N 3.06Å; I147-L150 VanDerWaalsContact O-N 3.1Å; G148-L150 PolarHBondContact O-N 2.83Å; L150-Y152 PolarHBondContact O-N 2.97Å; L150-L153 HydrophobicContact CB-CB 4.17Å; L150-L153 HydrophobicContact CB-CD2 4.47Å; L150-L153 HydrophobicContact CD1-CD2 4.31Å; L150-L153 WeakPolarHBondContact O-CB 3.46Å; L150-L153 PolarHBondContact O-N 2.73Å; L150-L173 HydrophobicContact CB-CD2 4.04Å; L150-L173 WeakPolarHBondContact O-CD2 3.13Å
151S95.1Very high96Very high51 Ų5134.3 Ų34.336%0.35718%0.178SC..THydrogen-bonded Turntrans-62.1-10.4-170.160.10000116.1S149S149-S151 PolarHBondContact O-N 2.68Å
152Y97.6Very high96.2Very high108 Ų10831.3 Ų31.342%0.42417%0.168SC..THydrogen-bonded Turntrans-98.3-1.5174.6-74-99.9000113.8Q128 L130 L150 V154Q128-Y152 WeakPolarHBondContact O-CD2 3.37Å; L130-Y152 CarbonylContact O-C 3.22Å; L150-Y152 PolarHBondContact O-N 2.97Å; Y152-V154 PolarHBondContact O-N 3.41Å
153L98.4Very high96.3Very high0 Ų028.2 Ų28.20%015%0.149CC..  trans-64.7127-177.6-156.970.4000110.2L130 L133 L150 L156 L173 K175 L176L130-L153 HydrophobicContact CB-CD1 4.36Å; L130-L153 HydrophobicContact CD2-CD1 4.13Å; L130-L153 HydrophobicContact CG-CD1 4.08Å; L130-L153 WeakPolarHBondContact O-CA 3.23Å; L130-L153 PolarHBondContact O-N 3.25Å; L130-L153 VanDerWaalsContact O-N 3.12Å; L133-L153 HydrophobicContact CB-CD1 3.92Å; L150-L153 HydrophobicContact CB-CB 4.17Å; L150-L153 HydrophobicContact CB-CD2 4.47Å; L150-L153 HydrophobicContact CD1-CD2 4.31Å; L150-L153 WeakPolarHBondContact O-CB 3.46Å; L150-L153 PolarHBondContact O-N 2.73Å; L153-L156 HydrophobicContact CD2-CB 3.79Å; L153-L156 HydrophobicContact CD2-CD1 4.17Å; L153-L156 HydrophobicContact CD2-CD2 4.13Å; L153-L156 HydrophobicContact CD2-CG 4.25Å; L153-L173 HydrophobicContact CB-CD2 4.34Å; L153-L173 HydrophobicContact CD2-CD1 4.1Å; L153-K175 CarbonylContact O-C 3.25Å; L153-K175 VanDerWaalsContact O-C 3.23Å; L153-L176 HydrophobicContact CB-CD1 4.45Å; L153-L176 HydrophobicContact CD2-CD1 4.2Å; L153-L176 HydrophobicContact CG-CD1 4.15Å; L153-L176 WeakPolarHBondContact O-CA 3.21Å; L153-L176 PolarHBondContact O-N 2.95Å; L153-L176 VanDerWaalsContact O-N 3.15Å
154V98.5Very high96.4Very high50 Ų5030.6 Ų30.630%0.30316%0.164SC..  trans-107.9-36.8179.5177.40000110.1T131 Y152 E177 E178T131-V154 WeakPolarHBondContact O-CA 3.08Å; T131-V154 PolarHBondContact O-N 3.01Å; Y152-V154 PolarHBondContact O-N 3.41Å; V154-E177 HydrophobicContact CG1-CB 4.05Å; V154-E177 HydrophobicContact CG1-CG 3.98Å; V154-E177 PolarHBondContact O-N 3.46Å; V154-E178 PolarHBondContact O-N 2.86Å
155S98.4Very high96.5Very high3 Ų333.3 Ų33.32%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-133.6127.1-179.9-1760000110.7T131 T132 L133 E178T131-S155 PolarHBondContact O-N 3.13Å; T132-S155 WeakPolarHBondContact CA-O 2.99Å; L133-S155 PolarHBondContact N-O 2.93Å; S155-E178 WeakPolarHBondContact CB-OE2 3.47Å; S155-E178 PolarHBondContact OG-OE2 3.04Å
156L98.3Very high96.6Very high0 Ų027.6 Ų27.60%015%0.147CC..EExtended strand (participates in β ladder)trans-128.1113.4177.517855.5000109.6L133 L153 L158 L170 L173 L176 E178 L179 D180L133-L156 HydrophobicContact CB-CD1 4.09Å; L133-L156 HydrophobicContact CD2-CD1 3.9Å; L133-L156 HydrophobicContact CG-CD1 4.08Å; L153-L156 HydrophobicContact CD2-CB 3.79Å; L153-L156 HydrophobicContact CD2-CD1 4.17Å; L153-L156 HydrophobicContact CD2-CD2 4.13Å; L153-L156 HydrophobicContact CD2-CG 4.25Å; L156-L158 HydrophobicContact CD1-CD1 4.07Å; L156-L158 HydrophobicContact CD1-CD2 4.07Å; L156-L158 HydrophobicContact CD1-CG 3.88Å; L156-L158 HydrophobicContact CD2-CD1 3.9Å; L156-L158 HydrophobicContact CG-CD1 3.84Å; L156-L158 HydrophobicContact CG-CG 3.97Å; L156-L170 HydrophobicContact CD2-CD1 3.94Å; L156-L173 HydrophobicContact CD2-CD1 4.34Å; L156-L176 HydrophobicContact CB-CD1 3.83Å; L156-E178 PolarHBondContact N-O 3.35Å; L156-L179 HydrophobicContact CB-CD1 4Å; L156-L179 HydrophobicContact CD2-CD1 3.89Å; L156-L179 HydrophobicContact CG-CD1 3.96Å; L156-L179 WeakPolarHBondContact O-CA 3.31Å; L156-D180 PolarHBondContact O-N 2.9Å
157E97.6Very high96.6Very high13 Ų1324.8 Ų24.86%0.06113%0.132CC..EExtended strand (participates in β ladder)trans-113.2119.7179.9-54.8170.3-166.200110.2L133 S134 I135 N136 D180 R476L133-E157 PolarHBondContact O-N 3.41Å; S134-E157 PolarHBondContact OG-OE2 3.25Å; I135-E157 PolarHBondContact N-O 3.39Å; N136-E157 PolarHBondContact ND2-OE2 2.85Å; N136-E157 VanDerWaalsContact OD1-C 3.31Å; N136-E157 WeakPolarHBondContact OD1-CB 3.27Å; E157-D180 HydrophobicContact CB-CB 4.43Å; E157-D180 HydrophobicContact CG-CB 4.47Å; E157-R476 WeakPolarHBondContact OE1-CD 3.24Å; E157-R476 IonicContact OE1-CZ 2.7Å; E157-R476 IonicContact OE1-NE 3.8Å; E157-R476 PolarHBondContact OE1-NE 2.92Å; E157-R476 IonicContact OE1-NH1 3.38Å; E157-R476 PolarHBondContact OE1-NH1 2.93Å
158L96.7Very high96.6Very high0 Ų032 Ų320%017%0.166CC..  trans-133.222.4-174-63.7170.3000111.3I135 N136 L140 L143 L156 N161 L163 D180 I181 N184I135-L158 HydrophobicContact CB-CD2 4.13Å; I135-L158 HydrophobicContact CD1-CD2 4.19Å; N136-L158 PolarHBondContact OD1-N 2.96Å; L140-L158 HydrophobicContact CD2-CD2 4.12Å; L143-L158 HydrophobicContact CD1-CD1 3.71Å; L143-L158 HydrophobicContact CD2-CD1 3.84Å; L143-L158 HydrophobicContact CD2-CD2 3.89Å; L143-L158 HydrophobicContact CG-CD1 4.24Å; L156-L158 HydrophobicContact CD1-CD1 4.07Å; L156-L158 HydrophobicContact CD1-CD2 4.07Å; L156-L158 HydrophobicContact CD1-CG 3.88Å; L156-L158 HydrophobicContact CD2-CD1 3.9Å; L156-L158 HydrophobicContact CG-CD1 3.84Å; L156-L158 HydrophobicContact CG-CG 3.97Å; L158-N161 VanDerWaalsContact C-ND2 3.31Å; L158-N161 PolarHBondContact O-ND2 2.88Å; L158-L163 HydrophobicContact CB-CD1 4.12Å; L158-L163 HydrophobicContact CD1-CD1 4.07Å; L158-D180 WeakPolarHBondContact CA-O 3.47Å; L158-D180 PolarHBondContact N-O 3.47Å; L158-I181 HydrophobicContact CB-CG1 4.41Å; L158-I181 HydrophobicContact CB-CG2 4.48Å; L158-I181 HydrophobicContact CD1-CG1 4.29Å; L158-N184 PolarHBondContact O-ND2 3.04Å
159R94.9Very high96.6Very high33 Ų3332.6 Ų32.613%0.12517%0.17CC..THydrogen-bonded Turntrans-64.2149.8-175.5-177.7165.4-17983.3-16.5111.2N136 D137 N161 G182 N183 D205 R475 T478N136-R159 CarbonylContact C-O 3.15Å; N136-R159 VanDerWaalsContact CA-O 3.22Å; N136-R159 WeakPolarHBondContact CA-O 3.45Å; N136-R159 WeakPolarHBondContact OD1-CB 3.31Å; N136-R159 PolarHBondContact OD1-N 3.04Å; D137-R159 PolarHBondContact N-O 2.97Å; R159-N161 VanDerWaalsContact C-N 3.32Å; R159-N161 PolarHBondContact O-N 3.48Å; R159-N161 PolarHBondContact O-ND2 3.49Å; R159-G182 VanDerWaalsContact CA-O 3.23Å; R159-G182 WeakPolarHBondContact CA-O 3.18Å; R159-G182 WeakPolarHBondContact CG-O 3.29Å; R159-N183 HydrophobicContact CG-CB 4.43Å; R159-N183 PolarHBondContact NH1-ND2 3.04Å; R159-N183 PolarHBondContact NH2-ND2 2.67Å; R159-D205 IonicContact CZ-OD2 3.15Å; R159-D205 VanDerWaalsContact CZ-OD2 3.28Å; R159-D205 VanDerWaalsContact NH1-CG 3.3Å; R159-D205 IonicContact NH1-OD1 3.16Å; R159-D205 PolarHBondContact NH1-OD1 2.84Å; R159-D205 VanDerWaalsContact NH1-OD1 3.09Å; R159-D205 IonicContact NH1-OD2 2.7Å; R159-D205 PolarHBondContact NH1-OD2 3.47Å; R159-D205 IonicContact NH2-OD2 3.82Å; R159-D205 PolarHBondContact NH2-OD2 3.2Å; R159-R475 VanDerWaalsContact CZ-NH2 3.25Å; R159-T478 HydrophobicContact CB-CG2 4.12Å; R159-T478 VanDerWaalsContact CD-CG2 3.49Å; R159-T478 HydrophobicContact CG-CG2 3.75Å
160E93.6Very high96.6Very high14 Ų1430.5 Ų30.57%0.06516%0.155CC..THydrogen-bonded Turntrans60.539.1176.2-70.1174.3-140.600113.6D137 G182 N183 T478 K485D137-E160 VanDerWaalsContact CA-O 3.31Å; D137-E160 WeakPolarHBondContact CA-O 3.34Å; D137-E160 HydrophobicContact CB-CB 4.04Å; E160-G182 PolarHBondContact N-O 2.97Å; E160-N183 WeakPolarHBondContact CA-O 3.47Å; E160-N183 HydrophobicContact CG-CB 3.79Å; E160-N183 PolarHBondContact N-O 2.82Å; E160-T478 WeakPolarHBondContact OE1-CB 3.44Å; E160-T478 WeakPolarHBondContact OE1-CG2 3.12Å; E160-T478 PolarHBondContact OE1-OG1 3.37Å; E160-K485 HydrophobicContact CG-CD 4.31Å
161N95Very high96.5Very high5 Ų531.5 Ų31.53%0.02716%0.162CC..SBendtrans-107.2-166.9170.6-75.8-63.4000110.7I135 I138 S139 L140 L158 R159 L163 N183 N184I135-N161 PolarHBondContact O-ND2 3.07Å; I138-N161 WeakPolarHBondContact CG1-OD1 3.44Å; I138-N161 PolarHBondContact N-OD1 3.28Å; I138-N161 VanDerWaalsContact N-OD1 3.11Å; S139-N161 PolarHBondContact N-OD1 3.4Å; S139-N161 VanDerWaalsContact N-OD1 3.14Å; L140-N161 HydrophobicContact CB-CB 3.95Å; L140-N161 WeakPolarHBondContact CB-OD1 3.46Å; L140-N161 PolarHBondContact N-OD1 2.73Å; L158-N161 VanDerWaalsContact C-ND2 3.31Å; L158-N161 PolarHBondContact O-ND2 2.88Å; R159-N161 VanDerWaalsContact C-N 3.32Å; R159-N161 PolarHBondContact O-N 3.48Å; R159-N161 PolarHBondContact O-ND2 3.49Å; N161-L163 HydrophobicContact CB-CG 4.28Å; N161-N183 PolarHBondContact N-O 3.03Å; N161-N184 VanDerWaalsContact CA-OD1 3.32Å; N161-N184 WeakPolarHBondContact CA-OD1 3.28Å; N161-N184 WeakPolarHBondContact CB-OD1 3.32Å; N161-N184 PolarHBondContact O-OD1 3.16Å
162V95.7Very high96.6Very high54 Ų5433.7 Ų33.733%0.32717%0.167SC..  trans-123.435.2178.2-66.70000110.6S139 L140 Q141 T164 N184 E185S139-V162 WeakPolarHBondContact O-CG2 3.36Å; L140-V162 CarbonylContact O-C 3.21Å; L140-V162 VanDerWaalsContact O-C 3.28Å; L140-V162 WeakPolarHBondContact O-CG2 3.44Å; L140-V162 PolarHBondContact O-N 3.1Å; Q141-V162 HydrophobicContact CB-CG2 4.5Å; Q141-V162 HydrophobicContact CG-CG2 3.77Å; V162-T164 PolarHBondContact O-N 3.38Å; V162-N184 PolarHBondContact N-OD1 3.26Å; V162-E185 HydrophobicContact CB-CG 4.39Å
163L96.5Very high96.6Very high0 Ų028.5 Ų28.50%015%0.147CC..  trans-65.4131.5177.5-63.5172.3000109.6L140 L143 L158 N161 I181 N184 E185 L186L140-L163 HydrophobicContact CB-CD2 4.47Å; L140-L163 HydrophobicContact CD2-CD2 4.19Å; L140-L163 HydrophobicContact CG-CD2 4.05Å; L140-L163 PolarHBondContact O-N 3.11Å; L143-L163 HydrophobicContact CG-CD1 4.45Å; L143-L163 HydrophobicContact CG-CD2 4.26Å; L158-L163 HydrophobicContact CB-CD1 4.12Å; L158-L163 HydrophobicContact CD1-CD1 4.07Å; N161-L163 HydrophobicContact CB-CG 4.28Å; L163-I181 HydrophobicContact CD1-CG2 4.01Å; L163-N184 HydrophobicContact CB-CB 4.32Å; L163-N184 VanDerWaalsContact CB-OD1 3.29Å; L163-N184 WeakPolarHBondContact CB-OD1 3.25Å; L163-N184 WeakPolarHBondContact CG-OD1 3.23Å; L163-N184 PolarHBondContact N-OD1 2.96Å; L163-E185 CarbonylContact O-C 3.23Å; L163-E185 WeakPolarHBondContact O-CA 3.06Å; L163-E185 PolarHBondContact O-N 3.16Å; L163-L186 HydrophobicContact CB-CD2 4.15Å; L163-L186 PolarHBondContact O-N 3.33Å; L163-L186 VanDerWaalsContact O-N 3.12Å
164T96.9Very high96.5Very high54 Ų5433.4 Ų33.433%0.33117%0.169SC..  trans-104.7-23.3178.952.90000113V162 E185 Y187V162-T164 PolarHBondContact O-N 3.38Å; T164-E185 HydrophobicContact CG2-CB 4.27Å; T164-Y187 VanDerWaalsContact O-CD1 3.25Å; T164-Y187 WeakPolarHBondContact O-CD1 3.38Å; T164-Y187 WeakPolarHBondContact O-CE1 3.16Å
165F96.8Very high96.5Very high75 Ų7535.5 Ų35.533%0.32917%0.174SC..  trans-148.7165.8175.162.7-88000111T142T142-F165 HydrophobicContact CG2-CE1 4.06Å; T142-F165 HydrophobicContact CG2-CZ 3.89Å
166L97.2Very high96.5Very high9 Ų935.3 Ų35.35%0.04717%0.173CC..  trans-109.7137.6171.5-59.2174000109.8L143 L170 I181 L186 L189 P190 I193L143-L166 HydrophobicContact CD1-CD2 4.13Å; L166-L170 HydrophobicContact CB-CD2 4.2Å; L166-L170 HydrophobicContact CD1-CD2 3.88Å; L166-L170 HydrophobicContact CD2-CD2 4.43Å; L166-L170 HydrophobicContact CG-CD2 4.4Å; L166-I181 HydrophobicContact CD1-CD1 3.64Å; L166-I181 HydrophobicContact CD2-CD1 3.72Å; L166-I181 HydrophobicContact CD2-CG2 4.48Å; L166-I181 HydrophobicContact CG-CD1 4.31Å; L166-L186 HydrophobicContact CD1-CD1 4.44Å; L166-L186 HydrophobicContact CD2-CD2 4.35Å; L166-L186 HydrophobicContact CG-CD1 4.39Å; L166-L186 HydrophobicContact CG-CD2 4.21Å; L166-L189 HydrophobicContact CD1-CD2 3.91Å; L166-P190 HydrophobicContact CB-CG 4.22Å; L166-I193 HydrophobicContact CD1-CD1 4.48Å
167P95.9Very high96.5Very high3 Ų338.5 Ų38.52%0.01919%0.188CC..  trans-69.1146.7177.529.4-34.9000111L143 I147 S169 L170L143-P167 HydrophobicContact CB-CG 3.98Å; L143-P167 HydrophobicContact CD1-CG 4.48Å; I147-P167 HydrophobicContact CG2-CG 3.62Å; P167-S169 PolarHBondContact O-N 2.88Å; P167-S169 VanDerWaalsContact O-N 3.15Å; P167-L170 VanDerWaalsContact O-CB 3.28Å; P167-L170 WeakPolarHBondContact O-CB 3.43Å; P167-L170 PolarHBondContact O-N 3.38Å; P167-L170 VanDerWaalsContact O-N 3.09Å
168E94.8Very high96.6Very high152 Ų15240.7 Ų40.771%0.7120%0.198SC*.G310 helixtrans-59.8-30.3-178.8-72.3-171.2168.900112.6L170 S171E168-L170 PolarHBondContact O-N 3.47Å; E168-S171 WeakPolarHBondContact O-CB 3.16Å; E168-S171 PolarHBondContact O-N 2.88Å; E168-S171 PolarHBondContact O-OG 3.37Å
169S96.6Very high96.7Very high14 Ų1440.7 Ų40.710%0.09820%0.198CC..G310 helixtrans-64.3-18.9179.671.10000113.7E145 G148 P167 S171 Q172E145-S169 WeakPolarHBondContact O-CB 3.33Å; E145-S169 PolarHBondContact O-OG 3Å; G148-S169 WeakPolarHBondContact CA-O 3.44Å; G148-S169 PolarHBondContact N-OG 3.37Å; P167-S169 PolarHBondContact O-N 2.88Å; P167-S169 VanDerWaalsContact O-N 3.15Å; S169-S171 PolarHBondContact O-N 3.28Å; S169-S171 VanDerWaalsContact O-N 3.08Å; S169-Q172 VanDerWaalsContact O-CB 3.27Å; S169-Q172 WeakPolarHBondContact O-CB 3.38Å; S169-Q172 WeakPolarHBondContact O-CG 3.31Å; S169-Q172 PolarHBondContact O-N 3.29Å
170L97.4Very high96.8Very high2 Ų239.4 Ų39.41%0.0119%0.194CC..G310 helixtrans-52.4-34.2175.2-170.577.1000111.5I147 L156 L166 P167 E168 Q172 L173 L179 I193 L196I147-L170 HydrophobicContact CG2-CB 4.44Å; I147-L170 HydrophobicContact CG2-CD1 4.14Å; L156-L170 HydrophobicContact CD2-CD1 3.94Å; L166-L170 HydrophobicContact CB-CD2 4.2Å; L166-L170 HydrophobicContact CD1-CD2 3.88Å; L166-L170 HydrophobicContact CD2-CD2 4.43Å; L166-L170 HydrophobicContact CG-CD2 4.4Å; P167-L170 VanDerWaalsContact O-CB 3.28Å; P167-L170 WeakPolarHBondContact O-CB 3.43Å; P167-L170 PolarHBondContact O-N 3.38Å; P167-L170 VanDerWaalsContact O-N 3.09Å; E168-L170 PolarHBondContact O-N 3.47Å; L170-Q172 PolarHBondContact O-N 3.23Å; L170-L173 HydrophobicContact CD1-CD1 3.6Å; L170-L173 HydrophobicContact CG-CD1 4.33Å; L170-L173 WeakPolarHBondContact O-CB 3.31Å; L170-L173 VanDerWaalsContact O-CG 3.32Å; L170-L173 WeakPolarHBondContact O-CG 3.22Å; L170-L173 PolarHBondContact O-N 3.43Å; L170-L173 VanDerWaalsContact O-N 3.07Å; L170-L179 HydrophobicContact CD2-CD2 4.12Å; L170-I193 HydrophobicContact CD2-CD1 4.17Å; L170-L196 WeakPolarHBondContact O-CD2 3.4Å
171S95.5Very high97Very high22 Ų2238.8 Ų38.815%0.15419%0.191CC..G310 helixtrans-56.9-16.8175.664.10000115.3E168 S169 L173 S192E168-S171 WeakPolarHBondContact O-CB 3.16Å; E168-S171 PolarHBondContact O-N 2.88Å; E168-S171 PolarHBondContact O-OG 3.37Å; S169-S171 PolarHBondContact O-N 3.28Å; S169-S171 VanDerWaalsContact O-N 3.08Å; S171-L173 VanDerWaalsContact C-N 3.31Å; S171-S192 WeakPolarHBondContact CB-O 3.41Å
172Q97.1Very high97.1Very high96 Ų9638.5 Ų38.545%0.44919%0.189SC..G310 helixtrans-82.5-7179-59.1174.4-1.200113.3S169 L170 H174S169-Q172 VanDerWaalsContact O-CB 3.27Å; S169-Q172 WeakPolarHBondContact O-CB 3.38Å; S169-Q172 WeakPolarHBondContact O-CG 3.31Å; S169-Q172 PolarHBondContact O-N 3.29Å; L170-Q172 PolarHBondContact O-N 3.23Å; Q172-H174 PolarHBondContact O-CE1 3.17Å; Q172-H174 PolarHBondContact O-N 2.83Å; Q172-H174 PolarHBondContact O-ND1 3.04Å
173L97.8Very high97.1Very high0 Ų037.8 Ų37.80%018%0.183CC..  trans-78.163177.7-57-180000111.1L150 L153 L156 L170 S171 K175 L176 L196L150-L173 HydrophobicContact CB-CD2 4.04Å; L150-L173 WeakPolarHBondContact O-CD2 3.13Å; L153-L173 HydrophobicContact CB-CD2 4.34Å; L153-L173 HydrophobicContact CD2-CD1 4.1Å; L156-L173 HydrophobicContact CD2-CD1 4.34Å; L170-L173 HydrophobicContact CD1-CD1 3.6Å; L170-L173 HydrophobicContact CG-CD1 4.33Å; L170-L173 WeakPolarHBondContact O-CB 3.31Å; L170-L173 VanDerWaalsContact O-CG 3.32Å; L170-L173 WeakPolarHBondContact O-CG 3.22Å; L170-L173 PolarHBondContact O-N 3.43Å; L170-L173 VanDerWaalsContact O-N 3.07Å; S171-L173 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 2.88Å; L173-L176 HydrophobicContact CB-CB 3.94Å; L173-L176 HydrophobicContact CB-CD2 4.36Å; L173-L176 HydrophobicContact CD1-CD2 4.16Å; L173-L176 WeakPolarHBondContact O-CB 3.28Å; L173-L176 PolarHBondContact O-N 2.8Å; L173-L196 HydrophobicContact CB-CD2 4.09Å
174H96.3Very high97.1Very high102 Ų10237.9 Ų37.947%0.47218%0.184SC..THydrogen-bonded Turntrans-64-15.1-173.1-56.494.4000114.6Q172 S198Q172-H174 PolarHBondContact O-CE1 3.17Å; Q172-H174 PolarHBondContact O-N 2.83Å; Q172-H174 PolarHBondContact O-ND1 3.04Å; H174-S198 VanDerWaalsContact O-CB 3.25Å; H174-S198 WeakPolarHBondContact O-CB 3.42Å; H174-S198 PolarHBondContact O-OG 3.01Å
175K98.2Very high97.2Very high94 Ų9438.6 Ų38.641%0.40918%0.184SC..THydrogen-bonded Turntrans-97.2-2.5176-65.6-168.1-173.1175.50113.6L153 L173 E177L153-K175 CarbonylContact O-C 3.25Å; L153-K175 VanDerWaalsContact O-C 3.23Å; L173-K175 PolarHBondContact O-N 2.88Å; K175-E177 PolarHBondContact O-N 2.67Å
176L98.6Very high97.2Very high0 Ų035 Ų350%017%0.168CC..  trans-65.5120.8-178.4-164.171.1000108.9L153 L156 L173 E178 L179 L196 S198 L199L153-L176 HydrophobicContact CB-CD1 4.45Å; L153-L176 HydrophobicContact CD2-CD1 4.2Å; L153-L176 HydrophobicContact CG-CD1 4.15Å; L153-L176 WeakPolarHBondContact O-CA 3.21Å; L153-L176 PolarHBondContact O-N 2.95Å; L153-L176 VanDerWaalsContact O-N 3.15Å; L156-L176 HydrophobicContact CB-CD1 3.83Å; L173-L176 HydrophobicContact CB-CB 3.94Å; L173-L176 HydrophobicContact CB-CD2 4.36Å; L173-L176 HydrophobicContact CD1-CD2 4.16Å; L173-L176 WeakPolarHBondContact O-CB 3.28Å; L173-L176 PolarHBondContact O-N 2.8Å; L176-E178 WeakPolarHBondContact CD1-O 3.29Å; L176-L179 HydrophobicContact CD2-CB 3.97Å; L176-L179 HydrophobicContact CD2-CD1 4.21Å; L176-L179 HydrophobicContact CD2-CD2 4.18Å; L176-L179 HydrophobicContact CD2-CG 4.35Å; L176-L196 HydrophobicContact CD2-CD1 4.27Å; L176-L196 HydrophobicContact CD2-CD2 4.36Å; L176-S198 CarbonylContact O-C 3.59Å; L176-L199 HydrophobicContact CB-CD1 4.48Å; L176-L199 HydrophobicContact CD2-CD1 4.13Å; L176-L199 HydrophobicContact CG-CD1 4.05Å; L176-L199 WeakPolarHBondContact O-CA 3.28Å; L176-L199 PolarHBondContact O-N 3.11Å; L176-L199 VanDerWaalsContact O-N 3.08Å
177E98.6Very high97.3Very high67 Ų6741.1 Ų41.131%0.31319%0.191SC..  trans-103.8-28.7176.6-62.4-166.2168.800111.1V154 K175 K200 N201V154-E177 HydrophobicContact CG1-CB 4.05Å; V154-E177 HydrophobicContact CG1-CG 3.98Å; V154-E177 PolarHBondContact O-N 3.46Å; K175-E177 PolarHBondContact O-N 2.67Å; E177-K200 HydrophobicContact CB-CD 4.35Å; E177-K200 HydrophobicContact CB-CG 4.49Å; E177-K200 WeakPolarHBondContact O-CA 3.44Å; E177-K200 PolarHBondContact O-N 3.47Å; E177-K200 IonicContact OE1-NZ 3.38Å; E177-K200 PolarHBondContact OE1-NZ 3.23Å; E177-K200 VanDerWaalsContact OE1-NZ 3.16Å; E177-K200 WeakPolarHBondContact OE2-CE 3.26Å; E177-K200 IonicContact OE2-NZ 3Å; E177-K200 PolarHBondContact OE2-NZ 2.82Å; E177-N201 PolarHBondContact O-N 3.37Å
178E98.4Very high97.3Very high58 Ų5845.7 Ų45.727%0.27121%0.211SC..EExtended strand (participates in β ladder)trans-130.2127.8-178.1-60.5177.6163.300111.1V154 S155 L156 L176 N201 W203V154-E178 PolarHBondContact O-N 2.86Å; S155-E178 WeakPolarHBondContact CB-OE2 3.47Å; S155-E178 PolarHBondContact OG-OE2 3.04Å; L156-E178 PolarHBondContact N-O 3.35Å; L176-E178 WeakPolarHBondContact CD1-O 3.29Å; E178-N201 HydrophobicContact CG-CB 4.31Å; E178-W203 HydrophobicContact CB-CZ3 4.5Å
179L98.4Very high97.5Very high0 Ų038.6 Ų38.60%018%0.178CC..EExtended strand (participates in β ladder)trans-133.2106.4174.6-177.955000109.5L156 L170 L176 I181 I193 L196 L199 N201 L202 W203L156-L179 HydrophobicContact CB-CD1 4Å; L156-L179 HydrophobicContact CD2-CD1 3.89Å; L156-L179 HydrophobicContact CG-CD1 3.96Å; L156-L179 WeakPolarHBondContact O-CA 3.31Å; L170-L179 HydrophobicContact CD2-CD2 4.12Å; L176-L179 HydrophobicContact CD2-CB 3.97Å; L176-L179 HydrophobicContact CD2-CD1 4.21Å; L176-L179 HydrophobicContact CD2-CD2 4.18Å; L176-L179 HydrophobicContact CD2-CG 4.35Å; L179-I181 HydrophobicContact CD1-CD1 3.6Å; L179-I181 HydrophobicContact CD1-CG1 3.6Å; L179-I181 HydrophobicContact CD2-CD1 3.66Å; L179-I181 HydrophobicContact CD2-CG1 4.47Å; L179-I181 HydrophobicContact CG-CD1 3.56Å; L179-I181 HydrophobicContact CG-CG1 3.81Å; L179-I193 HydrophobicContact CD2-CD1 4.25Å; L179-L196 HydrophobicContact CD2-CD1 4.01Å; L179-L199 HydrophobicContact CB-CD1 3.75Å; L179-N201 PolarHBondContact N-O 3.33Å; L179-L202 HydrophobicContact CB-CD1 4.04Å; L179-L202 HydrophobicContact CD2-CD1 3.95Å; L179-L202 HydrophobicContact CG-CD1 4.03Å; L179-W203 PolarHBondContact O-N 2.92Å
180D98.1Very high97.4Very high6 Ų639.1 Ų39.13%0.03218%0.181CC..EExtended strand (participates in β ladder)trans-101.6110.5172.1-163.2-23.1000110L156 E157 L158 G182 W203 R475L156-D180 PolarHBondContact O-N 2.9Å; E157-D180 HydrophobicContact CB-CB 4.43Å; E157-D180 HydrophobicContact CG-CB 4.47Å; L158-D180 WeakPolarHBondContact CA-O 3.47Å; L158-D180 PolarHBondContact N-O 3.47Å; D180-G182 PolarHBondContact OD1-N 3.11Å; D180-W203 HydrophobicContact CB-CE3 3.58Å; D180-W203 HydrophobicContact CB-CZ3 4.18Å; D180-R475 IonicContact OD1-CZ 3.82Å; D180-R475 IonicContact OD1-NH2 3.49Å; D180-R475 PolarHBondContact OD1-NH2 2.98Å; D180-R475 IonicContact OD2-CZ 2.66Å; D180-R475 IonicContact OD2-NE 2.95Å; D180-R475 PolarHBondContact OD2-NE 3.21Å; D180-R475 IonicContact OD2-NH2 3.23Å; D180-R475 PolarHBondContact OD2-NH2 3.02Å
181I97.1Very high97.4Very high1 Ų145 Ų451%0.00521%0.208CC..  trans-127.526.1172.9-44.6157.8000109.6L158 L163 L166 L179 N184 L186 W203 L204 N207L158-I181 HydrophobicContact CB-CG1 4.41Å; L158-I181 HydrophobicContact CB-CG2 4.48Å; L158-I181 HydrophobicContact CD1-CG1 4.29Å; L163-I181 HydrophobicContact CD1-CG2 4.01Å; L166-I181 HydrophobicContact CD1-CD1 3.64Å; L166-I181 HydrophobicContact CD2-CD1 3.72Å; L166-I181 HydrophobicContact CD2-CG2 4.48Å; L166-I181 HydrophobicContact CG-CD1 4.31Å; L179-I181 HydrophobicContact CD1-CD1 3.6Å; L179-I181 HydrophobicContact CD1-CG1 3.6Å; L179-I181 HydrophobicContact CD2-CD1 3.66Å; L179-I181 HydrophobicContact CD2-CG1 4.47Å; L179-I181 HydrophobicContact CG-CD1 3.56Å; L179-I181 HydrophobicContact CG-CG1 3.81Å; I181-N184 HydrophobicContact CG2-CB 4.26Å; I181-N184 WeakPolarHBondContact CG2-ND2 3.49Å; I181-N184 PolarHBondContact O-ND2 2.96Å; I181-N184 VanDerWaalsContact O-ND2 3.09Å; I181-L186 HydrophobicContact CB-CD1 4.39Å; I181-L186 HydrophobicContact CG2-CD1 3.7Å; I181-L186 HydrophobicContact CG2-CG 4.46Å; I181-W203 CarbonylContact C-O 3.28Å; I181-W203 PolarHBondContact N-O 2.93Å; I181-L204 HydrophobicContact CB-CD2 4.46Å; I181-N207 PolarHBondContact O-ND2 3.33Å
182G96.9Very high97.5Very high0 Ų045.3 Ų45.30%021%0.211CC..  trans-66.6160.1177.700000111.9R159 E160 D180 N184 W203 D205R159-G182 VanDerWaalsContact CA-O 3.23Å; R159-G182 WeakPolarHBondContact CA-O 3.18Å; R159-G182 WeakPolarHBondContact CG-O 3.29Å; E160-G182 PolarHBondContact N-O 2.97Å; D180-G182 PolarHBondContact OD1-N 3.11Å; G182-N184 PolarHBondContact O-N 3.47Å; G182-N184 PolarHBondContact O-ND2 2.7Å; G182-W203 PolarHBondContact N-O 3.33Å; G182-D205 CarbonylContact C-O 3.06Å; G182-D205 VanDerWaalsContact C-O 3.31Å; G182-D205 WeakPolarHBondContact CA-O 3.4Å
183N96.3Very high97.5Very high38 Ų3840.9 Ų40.920%0.20319%0.19CC..SBendtrans55.449.1179.4-82.1-86.6000113R159 E160 N161 D205 G206 K485R159-N183 HydrophobicContact CG-CB 4.43Å; R159-N183 PolarHBondContact NH1-ND2 3.04Å; R159-N183 PolarHBondContact NH2-ND2 2.67Å; E160-N183 WeakPolarHBondContact CA-O 3.47Å; E160-N183 HydrophobicContact CG-CB 3.79Å; E160-N183 PolarHBondContact N-O 2.82Å; N161-N183 PolarHBondContact N-O 3.03Å; N183-D205 PolarHBondContact N-O 3Å; N183-D205 PolarHBondContact ND2-OD2 3.15Å; N183-G206 CarbonylContact C-O 3.06Å; N183-G206 WeakPolarHBondContact CA-O 3.12Å; N183-G206 PolarHBondContact N-O 3.47Å; N183-K485 PolarHBondContact OD1-NZ 3.17Å
184N97.3Very high97.5Very high3 Ų341.2 Ų41.22%0.01619%0.194CC..SBendtrans-117.5-165.8173.4-86.1-85.3000109.8L158 N161 V162 L163 I181 G182 L186 G206 N207L158-N184 PolarHBondContact O-ND2 3.04Å; N161-N184 VanDerWaalsContact CA-OD1 3.32Å; N161-N184 WeakPolarHBondContact CA-OD1 3.28Å; N161-N184 WeakPolarHBondContact CB-OD1 3.32Å; N161-N184 PolarHBondContact O-OD1 3.16Å; V162-N184 PolarHBondContact N-OD1 3.26Å; L163-N184 HydrophobicContact CB-CB 4.32Å; L163-N184 VanDerWaalsContact CB-OD1 3.29Å; L163-N184 WeakPolarHBondContact CB-OD1 3.25Å; L163-N184 WeakPolarHBondContact CG-OD1 3.23Å; L163-N184 PolarHBondContact N-OD1 2.96Å; I181-N184 HydrophobicContact CG2-CB 4.26Å; I181-N184 WeakPolarHBondContact CG2-ND2 3.49Å; I181-N184 PolarHBondContact O-ND2 2.96Å; I181-N184 VanDerWaalsContact O-ND2 3.09Å; G182-N184 PolarHBondContact O-N 3.47Å; G182-N184 PolarHBondContact O-ND2 2.7Å; N184-L186 HydrophobicContact CB-CG 4.29Å; N184-G206 PolarHBondContact N-O 2.83Å; N184-N207 WeakPolarHBondContact CA-OD1 3.44Å; N184-N207 WeakPolarHBondContact CB-OD1 3.39Å; N184-N207 PolarHBondContact N-OD1 3.4Å; N184-N207 PolarHBondContact O-OD1 2.81Å
185E97.6Very high97.5Very high69 Ų6939.2 Ų39.232%0.32219%0.19SC..  trans-118.329.9-180-53.9-75.1160.400110.4V162 L163 T164 Y187 N207 H208V162-E185 HydrophobicContact CB-CG 4.39Å; L163-E185 CarbonylContact O-C 3.23Å; L163-E185 WeakPolarHBondContact O-CA 3.06Å; L163-E185 PolarHBondContact O-N 3.16Å; T164-E185 HydrophobicContact CG2-CB 4.27Å; E185-Y187 PolarHBondContact O-N 3.01Å; E185-N207 PolarHBondContact N-OD1 3.06Å; E185-H208 IonicContact OE2-CD2 3.07Å; E185-H208 PolarHBondContact OE2-CD2 3.03Å; E185-H208 IonicContact OE2-CE1 2.72Å; E185-H208 IonicContact OE2-NE2 2.72Å; E185-H208 PolarHBondContact OE2-NE2 2.81Å
186L98.3Very high97.5Very high0 Ų034.8 Ų34.80%017%0.171CC..  trans-67.4125.8-177.5-64.1177000110.3L163 L166 I181 N184 L189 L204 N207 H208 L209L163-L186 HydrophobicContact CB-CD2 4.15Å; L163-L186 PolarHBondContact O-N 3.33Å; L163-L186 VanDerWaalsContact O-N 3.12Å; L166-L186 HydrophobicContact CD1-CD1 4.44Å; L166-L186 HydrophobicContact CD2-CD2 4.35Å; L166-L186 HydrophobicContact CG-CD1 4.39Å; L166-L186 HydrophobicContact CG-CD2 4.21Å; I181-L186 HydrophobicContact CB-CD1 4.39Å; I181-L186 HydrophobicContact CG2-CD1 3.7Å; I181-L186 HydrophobicContact CG2-CG 4.46Å; N184-L186 HydrophobicContact CB-CG 4.29Å; L186-L189 HydrophobicContact CD1-CD2 4.31Å; L186-L204 HydrophobicContact CD1-CD2 4.23Å; L186-N207 HydrophobicContact CB-CB 4.24Å; L186-N207 VanDerWaalsContact CB-OD1 3.28Å; L186-N207 WeakPolarHBondContact CB-OD1 3.36Å; L186-N207 WeakPolarHBondContact CG-OD1 3.23Å; L186-N207 PolarHBondContact N-OD1 3.11Å; L186-H208 CarbonylContact O-C 3.48Å; L186-H208 VanDerWaalsContact O-CA 3.29Å; L186-H208 WeakPolarHBondContact O-CA 3.31Å; L186-H208 PolarHBondContact O-N 3.19Å; L186-L209 HydrophobicContact CB-CD2 4.09Å; L186-L209 PolarHBondContact O-N 2.78Å
187Y97.3Very high97.4Very high136 Ų13640 Ų4053%0.53320%0.198SC..  trans-102.9-15.1175.460.9-92.1000113.4T164 E185T164-Y187 VanDerWaalsContact O-CD1 3.25Å; T164-Y187 WeakPolarHBondContact O-CD1 3.38Å; T164-Y187 WeakPolarHBondContact O-CE1 3.16Å; E185-Y187 PolarHBondContact O-N 3.01Å
188K97.1Very high97.4Very high100 Ų10038.7 Ų38.744%0.43520%0.196SC..  trans-155148.2177.3-179164.4179.5129.60111.6E211K188-E211 IonicContact NZ-OE1 2.73Å; K188-E211 PolarHBondContact NZ-OE1 2.83Å
189L97.6Very high97.4Very high2 Ų235.9 Ų35.91%0.0118%0.183CC..  trans-98.1143.8168.1-61.9174.8000111.3L166 L186 L204 L209 I212 P213 L216L166-L189 HydrophobicContact CD1-CD2 3.91Å; L186-L189 HydrophobicContact CD1-CD2 4.31Å; L189-L204 HydrophobicContact CD1-CD1 3.63Å; L189-L204 HydrophobicContact CD2-CD1 4.46Å; L189-L204 HydrophobicContact CD2-CD2 3.91Å; L189-L209 HydrophobicContact CD1-CD1 4.18Å; L189-L209 HydrophobicContact CD2-CD2 4.35Å; L189-L209 HydrophobicContact CG-CD1 4.2Å; L189-L209 HydrophobicContact CG-CD2 3.98Å; L189-I212 HydrophobicContact CD1-CD1 4.09Å; L189-P213 HydrophobicContact CB-CG 3.99Å; L189-L216 HydrophobicContact CD1-CD1 4.1Å
190P96.5Very high97.4Very high26 Ų2639.3 Ų39.317%0.16920%0.198CC..  trans-69.4144.1171.630.2-34.1000110.4L166 S192 I193L166-P190 HydrophobicContact CB-CG 4.22Å; P190-S192 PolarHBondContact O-N 3.1Å; P190-S192 VanDerWaalsContact O-N 3.15Å; P190-I193 WeakPolarHBondContact O-CB 3.4Å; P190-I193 WeakPolarHBondContact O-CG2 3.16Å; P190-I193 PolarHBondContact O-N 3.19Å
191Q96.6Very high97.4Very high125 Ų12540.6 Ų40.658%0.58421%0.205SC*.G310 helixtrans-58-30.1175.7-68.7-177.8-41.900112.3I193 G194 P213 E215Q191-I193 PolarHBondContact O-N 3.37Å; Q191-I193 VanDerWaalsContact O-N 3.09Å; Q191-G194 PolarHBondContact O-N 3.01Å; Q191-P213 HydrophobicContact CG-CB 4.35Å; Q191-E215 HydrophobicContact CB-CG 4.16Å; Q191-E215 PolarHBondContact NE2-OE1 3.05Å; Q191-E215 WeakPolarHBondContact O-CB 3.26Å
192S97Very high97.4Very high29 Ų2940.6 Ų40.620%0.20321%0.205CC..G310 helixtrans-65.3-8.717864.60000114S171 P190 G194 C195S171-S192 WeakPolarHBondContact CB-O 3.41Å; P190-S192 PolarHBondContact O-N 3.1Å; P190-S192 VanDerWaalsContact O-N 3.15Å; S192-G194 PolarHBondContact O-N 2.91Å; S192-G194 VanDerWaalsContact O-N 3.17Å; S192-C195 VanDerWaalsContact O-CB 3.28Å; S192-C195 WeakPolarHBondContact O-CB 3.43Å; S192-C195 PolarHBondContact O-N 3.35Å
193I97.3Very high97.5Very high3 Ų341.3 Ų41.32%0.01521%0.207CC..G310 helixtrans-55.6-31.9172.5-161.971.2000111.9L166 L170 L179 P190 Q191 C195 L196 P213 L216L166-I193 HydrophobicContact CD1-CD1 4.48Å; L170-I193 HydrophobicContact CD2-CD1 4.17Å; L179-I193 HydrophobicContact CD2-CD1 4.25Å; P190-I193 WeakPolarHBondContact O-CB 3.4Å; P190-I193 WeakPolarHBondContact O-CG2 3.16Å; P190-I193 PolarHBondContact O-N 3.19Å; Q191-I193 PolarHBondContact O-N 3.37Å; Q191-I193 VanDerWaalsContact O-N 3.09Å; I193-C195 PolarHBondContact O-N 3.29Å; I193-L196 HydrophobicContact CD1-CD1 3.54Å; I193-L196 HydrophobicContact CG1-CD1 4.24Å; I193-L196 WeakPolarHBondContact O-CG 3.17Å; I193-L196 PolarHBondContact O-N 2.98Å; I193-L196 VanDerWaalsContact O-N 3.17Å; I193-P213 HydrophobicContact CG2-CG 3.95Å; I193-L216 HydrophobicContact CG2-CB 4.04Å; I193-L216 HydrophobicContact CG2-CD1 4.37Å
194G97.1Very high97.6Very high7 Ų739.5 Ų39.57%0.07220%0.198CC..G310 helixtrans-62.9-10.617600000115.3Q191 S192 L196 E215Q191-G194 PolarHBondContact O-N 3.01Å; S192-G194 PolarHBondContact O-N 2.91Å; S192-G194 VanDerWaalsContact O-N 3.17Å; G194-L196 VanDerWaalsContact C-N 3.35Å; G194-E215 WeakPolarHBondContact CA-O 3.11Å
195C97.8Very high97.7Very high60 Ų6039.7 Ų39.741%0.40520%0.199SC..G310 helixtrans-84.1-7.1177.1-60.60000113.7S192 I193 I197S192-C195 VanDerWaalsContact O-CB 3.28Å; S192-C195 WeakPolarHBondContact O-CB 3.43Å; S192-C195 PolarHBondContact O-N 3.35Å; I193-C195 PolarHBondContact O-N 3.29Å; C195-I197 PolarHBondContact O-N 3.45Å
196L97.9Very high97.6Very high0 Ų037.1 Ų37.10%019%0.191CC..  trans-74.964.6176.2-61.8178.2000111.1L170 L173 L176 L179 I193 G194 S198 L199 I219L170-L196 WeakPolarHBondContact O-CD2 3.4Å; L173-L196 HydrophobicContact CB-CD2 4.09Å; L176-L196 HydrophobicContact CD2-CD1 4.27Å; L176-L196 HydrophobicContact CD2-CD2 4.36Å; L179-L196 HydrophobicContact CD2-CD1 4.01Å; I193-L196 HydrophobicContact CD1-CD1 3.54Å; I193-L196 HydrophobicContact CG1-CD1 4.24Å; I193-L196 WeakPolarHBondContact O-CG 3.17Å; I193-L196 PolarHBondContact O-N 2.98Å; I193-L196 VanDerWaalsContact O-N 3.17Å; G194-L196 VanDerWaalsContact C-N 3.35Å; L196-S198 PolarHBondContact O-N 3.2Å; L196-L199 HydrophobicContact CB-CB 3.97Å; L196-L199 HydrophobicContact CB-CD2 4.28Å; L196-L199 HydrophobicContact CD1-CD2 4.04Å; L196-L199 WeakPolarHBondContact O-CB 3.25Å; L196-L199 PolarHBondContact O-N 2.94Å; L196-I219 HydrophobicContact CB-CD1 4.49Å; L196-I219 WeakPolarHBondContact O-CG2 3.35Å
197I95.7Very high97.6Very high110 Ų11037.4 Ų37.456%0.56419%0.192SC*.THydrogen-bonded Turntrans-64-14.9-168.559.2168.7000115.5C195 S221C195-I197 PolarHBondContact O-N 3.45Å; I197-S221 WeakPolarHBondContact O-CB 3.26Å; I197-S221 PolarHBondContact O-OG 3.38Å
198S98.2Very high97.7Very high39 Ų3934.3 Ų34.327%0.27318%0.182SC..THydrogen-bonded Turntrans-99.8-2.5177.6-56.40000113H174 L176 L196 K200H174-S198 VanDerWaalsContact O-CB 3.25Å; H174-S198 WeakPolarHBondContact O-CB 3.42Å; H174-S198 PolarHBondContact O-OG 3.01Å; L176-S198 CarbonylContact O-C 3.59Å; L196-S198 PolarHBondContact O-N 3.2Å; S198-K200 PolarHBondContact O-N 3.03Å
199L98.6Very high97.8Very high0 Ų029.5 Ų29.50%016%0.162CC..  trans-68124.7-172.2-165.473.8000110.9L176 L179 L196 L202 I219 S221 L222L176-L199 HydrophobicContact CB-CD1 4.48Å; L176-L199 HydrophobicContact CD2-CD1 4.13Å; L176-L199 HydrophobicContact CG-CD1 4.05Å; L176-L199 WeakPolarHBondContact O-CA 3.28Å; L176-L199 PolarHBondContact O-N 3.11Å; L176-L199 VanDerWaalsContact O-N 3.08Å; L179-L199 HydrophobicContact CB-CD1 3.75Å; L196-L199 HydrophobicContact CB-CB 3.97Å; L196-L199 HydrophobicContact CB-CD2 4.28Å; L196-L199 HydrophobicContact CD1-CD2 4.04Å; L196-L199 WeakPolarHBondContact O-CB 3.25Å; L196-L199 PolarHBondContact O-N 2.94Å; L199-L202 HydrophobicContact CD2-CB 3.89Å; L199-L202 HydrophobicContact CD2-CD1 4.22Å; L199-L202 HydrophobicContact CD2-CD2 4.07Å; L199-L202 HydrophobicContact CD2-CG 4.29Å; L199-I219 HydrophobicContact CB-CG2 3.91Å; L199-I219 HydrophobicContact CD2-CD1 4.15Å; L199-I219 WeakPolarHBondContact O-CG2 3.34Å; L199-S221 CarbonylContact O-C 3.43Å; L199-S221 VanDerWaalsContact O-C 3.23Å; L199-S221 PolarHBondContact O-OG 2.78Å; L199-S221 VanDerWaalsContact O-OG 3.08Å; L199-L222 HydrophobicContact CB-CD1 4.43Å; L199-L222 HydrophobicContact CD2-CD1 4.1Å; L199-L222 HydrophobicContact CG-CD1 4.05Å; L199-L222 VanDerWaalsContact O-CA 3.29Å; L199-L222 WeakPolarHBondContact O-CA 3.5Å; L199-L222 PolarHBondContact O-N 2.74Å; L199-L222 VanDerWaalsContact O-N 3.17Å
200K98.5Very high97.8Very high71 Ų7132.3 Ų32.331%0.30918%0.182SC..  trans-104.9-40.9179.6-64.1176-172.4161.30111.2E177 S198 L223 C224E177-K200 HydrophobicContact CB-CD 4.35Å; E177-K200 HydrophobicContact CB-CG 4.49Å; E177-K200 WeakPolarHBondContact O-CA 3.44Å; E177-K200 PolarHBondContact O-N 3.47Å; E177-K200 IonicContact OE1-NZ 3.38Å; E177-K200 PolarHBondContact OE1-NZ 3.23Å; E177-K200 VanDerWaalsContact OE1-NZ 3.16Å; E177-K200 WeakPolarHBondContact OE2-CE 3.26Å; E177-K200 IonicContact OE2-NZ 3Å; E177-K200 PolarHBondContact OE2-NZ 2.82Å; S198-K200 PolarHBondContact O-N 3.03Å; K200-L223 HydrophobicContact CB-CD1 4.21Å; K200-L223 HydrophobicContact CB-CG 4.29Å; K200-L223 HydrophobicContact CD-CD1 4.43Å; K200-L223 HydrophobicContact CG-CD1 4.4Å; K200-L223 PolarHBondContact O-N 2.92Å; K200-C224 PolarHBondContact O-N 2.99Å
201N98.4Very high97.8Very high33 Ų3334.6 Ų34.618%0.17619%0.19CC..EExtended strand (participates in β ladder)trans-123.4121.7-176.5-59.1-43000110E177 E178 L179 W203 C224E177-N201 PolarHBondContact O-N 3.37Å; E178-N201 HydrophobicContact CG-CB 4.31Å; L179-N201 PolarHBondContact N-O 3.33Å; N201-W203 HydrophobicContact CB-CH2 3.81Å; N201-W203 HydrophobicContact CB-CZ2 3.94Å; N201-W203 HydrophobicContact CB-CZ3 4.1Å; N201-C224 WeakPolarHBondContact OD1-CB 3.43Å
202L98.4Very high97.9Very high1 Ų129.1 Ų29.11%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-127.3110176.1179.254.3000109.9L179 L199 L204 L216 L222 C224 L225 D226L179-L202 HydrophobicContact CB-CD1 4.04Å; L179-L202 HydrophobicContact CD2-CD1 3.95Å; L179-L202 HydrophobicContact CG-CD1 4.03Å; L199-L202 HydrophobicContact CD2-CB 3.89Å; L199-L202 HydrophobicContact CD2-CD1 4.22Å; L199-L202 HydrophobicContact CD2-CD2 4.07Å; L199-L202 HydrophobicContact CD2-CG 4.29Å; L202-L204 HydrophobicContact CD1-CD1 4.13Å; L202-L204 HydrophobicContact CD1-CD2 4.28Å; L202-L204 HydrophobicContact CD1-CG 3.92Å; L202-L204 HydrophobicContact CD2-CD1 3.9Å; L202-L204 HydrophobicContact CG-CD1 3.86Å; L202-L204 HydrophobicContact CG-CG 4.02Å; L202-L216 HydrophobicContact CD2-CD1 3.71Å; L202-L216 HydrophobicContact CD2-CG 4.45Å; L202-L222 HydrophobicContact CB-CD1 3.85Å; L202-C224 PolarHBondContact N-O 3.35Å; L202-L225 HydrophobicContact CB-CD1 4.16Å; L202-L225 HydrophobicContact CD2-CD1 3.99Å; L202-L225 HydrophobicContact CG-CD1 4.06Å; L202-D226 PolarHBondContact O-N 3.44Å
203W98.4Very high97.9Very high15 Ų1528.4 Ų28.46%0.05716%0.159CC..EExtended strand (participates in β ladder)trans-106.4117.9175.5-56.7-74.9000110.7E178 L179 D180 I181 G182 N201 R475E178-W203 HydrophobicContact CB-CZ3 4.5Å; L179-W203 PolarHBondContact O-N 2.92Å; D180-W203 HydrophobicContact CB-CE3 3.58Å; D180-W203 HydrophobicContact CB-CZ3 4.18Å; I181-W203 CarbonylContact C-O 3.28Å; I181-W203 PolarHBondContact N-O 2.93Å; G182-W203 PolarHBondContact N-O 3.33Å; N201-W203 HydrophobicContact CB-CH2 3.81Å; N201-W203 HydrophobicContact CB-CZ2 3.94Å; N201-W203 HydrophobicContact CB-CZ3 4.1Å; W203-R475 VanDerWaalsContact CB-NH2 3.29Å; W203-R475 HydrophobicContact CZ2-CB 4.15Å; W203-R475 HydrophobicContact CZ2-CG 4.29Å
204L98.3Very high97.9Very high1 Ų129.9 Ų29.91%0.00517%0.172CC..  trans-12612.7-180-68.2164.8000111.4I181 L186 L189 L202 N207 L209 D226 L227 N230I181-L204 HydrophobicContact CB-CD2 4.46Å; L186-L204 HydrophobicContact CD1-CD2 4.23Å; L189-L204 HydrophobicContact CD1-CD1 3.63Å; L189-L204 HydrophobicContact CD2-CD1 4.46Å; L189-L204 HydrophobicContact CD2-CD2 3.91Å; L202-L204 HydrophobicContact CD1-CD1 4.13Å; L202-L204 HydrophobicContact CD1-CD2 4.28Å; L202-L204 HydrophobicContact CD1-CG 3.92Å; L202-L204 HydrophobicContact CD2-CD1 3.9Å; L202-L204 HydrophobicContact CG-CD1 3.86Å; L202-L204 HydrophobicContact CG-CG 4.02Å; L204-N207 PolarHBondContact O-ND2 2.9Å; L204-L209 HydrophobicContact CB-CD1 4.21Å; L204-L209 HydrophobicContact CD1-CD1 4.28Å; L204-D226 CarbonylContact C-O 3.1Å; L204-D226 WeakPolarHBondContact CA-O 3.45Å; L204-D226 WeakPolarHBondContact CB-O 3.31Å; L204-D226 PolarHBondContact N-O 3.07Å; L204-L227 HydrophobicContact CB-CD2 4.05Å; L204-L227 HydrophobicContact CD1-CD2 3.67Å; L204-N230 PolarHBondContact O-ND2 3Å
205D98.1Very high98Very high7 Ų732.3 Ų32.34%0.03718%0.181CC..  trans-57.8145.5-178.262.4-70.4000112.3R159 G182 N183 N207 D226 S228 R475R159-D205 IonicContact CZ-OD2 3.15Å; R159-D205 VanDerWaalsContact CZ-OD2 3.28Å; R159-D205 VanDerWaalsContact NH1-CG 3.3Å; R159-D205 IonicContact NH1-OD1 3.16Å; R159-D205 PolarHBondContact NH1-OD1 2.84Å; R159-D205 VanDerWaalsContact NH1-OD1 3.09Å; R159-D205 IonicContact NH1-OD2 2.7Å; R159-D205 PolarHBondContact NH1-OD2 3.47Å; R159-D205 IonicContact NH2-OD2 3.82Å; R159-D205 PolarHBondContact NH2-OD2 3.2Å; G182-D205 CarbonylContact C-O 3.06Å; G182-D205 VanDerWaalsContact C-O 3.31Å; G182-D205 WeakPolarHBondContact CA-O 3.4Å; N183-D205 PolarHBondContact N-O 3Å; N183-D205 PolarHBondContact ND2-OD2 3.15Å; D205-N207 PolarHBondContact O-ND2 3.3Å; D205-D226 PolarHBondContact N-O 3.26Å; D205-S228 CarbonylContact C-O 3.5Å; D205-S228 WeakPolarHBondContact CA-O 3.44Å; D205-R475 IonicContact OD1-CZ 2.75Å; D205-R475 VanDerWaalsContact OD1-CZ 3.26Å; D205-R475 IonicContact OD1-NH1 3.79Å; D205-R475 PolarHBondContact OD1-NH1 3.47Å; D205-R475 IonicContact OD1-NH2 2.74Å; D205-R475 PolarHBondContact OD1-NH2 3.07Å; D205-R475 IonicContact OD2-NH1 2.84Å; D205-R475 PolarHBondContact OD2-NH1 3.12Å; D205-R475 IonicContact OD2-NH2 2.7Å
206G97.2Very high98Very high15 Ų1529.5 Ų29.516%0.15516%0.162CC..SBendtrans67.950.7175.100000113.1N183 N184 S228 E229N183-G206 CarbonylContact C-O 3.06Å; N183-G206 WeakPolarHBondContact CA-O 3.12Å; N183-G206 PolarHBondContact N-O 3.47Å; N184-G206 PolarHBondContact N-O 2.83Å; G206-S228 PolarHBondContact N-O 3.06Å; G206-E229 CarbonylContact C-O 3.24Å; G206-E229 WeakPolarHBondContact CA-O 3.15Å; G206-E229 PolarHBondContact N-O 2.84Å
207N98.5Very high98Very high5 Ų529.7 Ų29.73%0.02716%0.164CC..SBendtrans-128.2-170.8175.1-83.1-79000109.8I181 N184 E185 L186 L204 D205 L209 E229 N230I181-N207 PolarHBondContact O-ND2 3.33Å; N184-N207 WeakPolarHBondContact CA-OD1 3.44Å; N184-N207 WeakPolarHBondContact CB-OD1 3.39Å; N184-N207 PolarHBondContact N-OD1 3.4Å; N184-N207 PolarHBondContact O-OD1 2.81Å; E185-N207 PolarHBondContact N-OD1 3.06Å; L186-N207 HydrophobicContact CB-CB 4.24Å; L186-N207 VanDerWaalsContact CB-OD1 3.28Å; L186-N207 WeakPolarHBondContact CB-OD1 3.36Å; L186-N207 WeakPolarHBondContact CG-OD1 3.23Å; L186-N207 PolarHBondContact N-OD1 3.11Å; L204-N207 PolarHBondContact O-ND2 2.9Å; D205-N207 PolarHBondContact O-ND2 3.3Å; N207-L209 HydrophobicContact CB-CG 4.24Å; N207-E229 PolarHBondContact N-O 2.94Å; N207-E229 VanDerWaalsContact N-O 3.16Å; N207-N230 WeakPolarHBondContact CA-OD1 3.2Å; N207-N230 WeakPolarHBondContact CB-OD1 3.49Å; N207-N230 PolarHBondContact O-OD1 2.91Å
208H98.3Very high98.1Very high71 Ų7129.3 Ų29.333%0.32916%0.162SC..  trans-113.530.8178.2-56.3-60.7000112.4E185 L186 S210 Q231E185-H208 IonicContact OE2-CD2 3.07Å; E185-H208 PolarHBondContact OE2-CD2 3.03Å; E185-H208 IonicContact OE2-CE1 2.72Å; E185-H208 IonicContact OE2-NE2 2.72Å; E185-H208 PolarHBondContact OE2-NE2 2.81Å; L186-H208 CarbonylContact O-C 3.48Å; L186-H208 VanDerWaalsContact O-CA 3.29Å; L186-H208 WeakPolarHBondContact O-CA 3.31Å; L186-H208 PolarHBondContact O-N 3.19Å; H208-S210 PolarHBondContact O-N 3.31Å; H208-Q231 PolarHBondContact ND1-NE2 3.28Å; H208-Q231 VanDerWaalsContact ND1-NE2 3.12Å
209L98.6Very high98.1Very high0 Ų027.4 Ų27.40%015%0.149CC..  trans-67.5123.9-177.6-60.3174.4000110.1L186 L189 L204 N207 I212 N230 Q231 L232L186-L209 HydrophobicContact CB-CD2 4.09Å; L186-L209 PolarHBondContact O-N 2.78Å; L189-L209 HydrophobicContact CD1-CD1 4.18Å; L189-L209 HydrophobicContact CD2-CD2 4.35Å; L189-L209 HydrophobicContact CG-CD1 4.2Å; L189-L209 HydrophobicContact CG-CD2 3.98Å; L204-L209 HydrophobicContact CB-CD1 4.21Å; L204-L209 HydrophobicContact CD1-CD1 4.28Å; N207-L209 HydrophobicContact CB-CG 4.24Å; L209-I212 HydrophobicContact CD1-CD1 3.9Å; L209-N230 HydrophobicContact CB-CB 4.39Å; L209-N230 VanDerWaalsContact CB-OD1 3.26Å; L209-N230 WeakPolarHBondContact CB-OD1 3.43Å; L209-N230 WeakPolarHBondContact CG-OD1 3.45Å; L209-N230 PolarHBondContact N-OD1 2.95Å; L209-Q231 CarbonylContact O-C 3.53Å; L209-Q231 WeakPolarHBondContact O-CA 3.48Å; L209-Q231 PolarHBondContact O-N 2.73Å; L209-L232 HydrophobicContact CB-CD2 4.14Å; L209-L232 WeakPolarHBondContact O-CD2 3.42Å; L209-L232 PolarHBondContact O-N 3.38Å
210S97.6Very high98.1Very high61 Ų6134 Ų3443%0.42718%0.178SC..SBendtrans-93-23.9173.464.10000113.2H208H208-S210 PolarHBondContact O-N 3.31Å
211E97.3Very high98.1Very high73 Ų7332.2 Ų32.234%0.34117%0.174SC..  trans-145.3154179.166.2179.4-16700111K188 F234K188-E211 IonicContact NZ-OE1 2.73Å; K188-E211 PolarHBondContact NZ-OE1 2.83Å; E211-F234 HydrophobicContact CB-CZ 4.37Å
212I97.8Very high98.1Very high10 Ų1030.6 Ų30.65%0.05117%0.166CC..  trans-109.6127.8169.2-57.9-57.2000108.7L189 L209 A214 L216 L227 L232L189-I212 HydrophobicContact CD1-CD1 4.09Å; L209-I212 HydrophobicContact CD1-CD1 3.9Å; I212-A214 PolarHBondContact O-N 2.75Å; I212-L216 HydrophobicContact CG2-CB 3.99Å; I212-L216 HydrophobicContact CG2-CD1 3.84Å; I212-L216 HydrophobicContact CG2-CD2 4.25Å; I212-L216 HydrophobicContact CG2-CG 4.25Å; I212-L227 HydrophobicContact CD1-CD1 4.27Å; I212-L227 HydrophobicContact CD1-CD2 3.55Å; I212-L227 HydrophobicContact CG1-CD1 3.95Å; I212-L227 HydrophobicContact CG1-CD2 4.17Å; I212-L232 HydrophobicContact CD1-CD1 4.24Å; I212-L232 HydrophobicContact CD1-CD2 3.97Å; I212-L232 HydrophobicContact CG1-CD1 3.95Å; I212-L232 HydrophobicContact CG1-CD2 3.81Å
213P97.5Very high98.1Very high15 Ų1533.3 Ų33.310%0.09718%0.18CC..  trans-63.4136.4177.826.1-33.7000110.6L189 Q191 I193 E215 L216L189-P213 HydrophobicContact CB-CG 3.99Å; Q191-P213 HydrophobicContact CG-CB 4.35Å; I193-P213 HydrophobicContact CG2-CG 3.95Å; P213-E215 WeakPolarHBondContact CB-OE2 3.32Å; P213-E215 PolarHBondContact O-N 3.45Å; P213-E215 VanDerWaalsContact O-N 3.09Å; P213-L216 HydrophobicContact CG-CB 4.46Å; P213-L216 VanDerWaalsContact O-CB 3.31Å; P213-L216 WeakPolarHBondContact O-CB 3.2Å; P213-L216 PolarHBondContact O-N 3.16Å
214A97.9Very high98.1Very high33 Ų3332.8 Ų32.827%0.27318%0.178SC..G310 helixtrans-55.9-30178.200000112I212 L216 C217 P236 E238I212-A214 PolarHBondContact O-N 2.75Å; A214-L216 PolarHBondContact O-N 3.19Å; A214-C217 VanDerWaalsContact O-CB 3.22Å; A214-C217 WeakPolarHBondContact O-CB 3.44Å; A214-C217 PolarHBondContact O-N 3.46Å; A214-P236 HydrophobicContact CB-CB 4.44Å; A214-E238 HydrophobicContact CB-CB 4.34Å; A214-E238 HydrophobicContact CB-CG 4.05Å; A214-E238 WeakPolarHBondContact CB-OE2 3.44Å
215E98.3Very high98.1Very high59 Ų5932.8 Ų32.828%0.27618%0.178SC..G310 helixtrans-60.8-26.6177.1-65.181.6179.400113.7Q191 G194 P213 C217 N218Q191-E215 HydrophobicContact CB-CG 4.16Å; Q191-E215 PolarHBondContact NE2-OE1 3.05Å; Q191-E215 WeakPolarHBondContact O-CB 3.26Å; G194-E215 WeakPolarHBondContact CA-O 3.11Å; P213-E215 WeakPolarHBondContact CB-OE2 3.32Å; P213-E215 PolarHBondContact O-N 3.45Å; P213-E215 VanDerWaalsContact O-N 3.09Å; E215-C217 PolarHBondContact O-N 3.31Å; E215-N218 VanDerWaalsContact O-CB 3.23Å; E215-N218 WeakPolarHBondContact O-CB 3.43Å; E215-N218 PolarHBondContact O-N 3.31Å; E215-N218 PolarHBondContact O-ND2 3.01Å
216L98.4Very high98.1Very high1 Ų133.2 Ų33.21%0.00518%0.18CC..G310 helixtrans-56.7-32.2172.9-176.8146.4000111L189 I193 L202 I212 P213 A214 N218 I219 L225 L242L189-L216 HydrophobicContact CD1-CD1 4.1Å; I193-L216 HydrophobicContact CG2-CB 4.04Å; I193-L216 HydrophobicContact CG2-CD1 4.37Å; L202-L216 HydrophobicContact CD2-CD1 3.71Å; L202-L216 HydrophobicContact CD2-CG 4.45Å; I212-L216 HydrophobicContact CG2-CB 3.99Å; I212-L216 HydrophobicContact CG2-CD1 3.84Å; I212-L216 HydrophobicContact CG2-CD2 4.25Å; I212-L216 HydrophobicContact CG2-CG 4.25Å; P213-L216 HydrophobicContact CG-CB 4.46Å; P213-L216 VanDerWaalsContact O-CB 3.31Å; P213-L216 WeakPolarHBondContact O-CB 3.2Å; P213-L216 PolarHBondContact O-N 3.16Å; A214-L216 PolarHBondContact O-N 3.19Å; L216-N218 PolarHBondContact O-N 3.5Å; L216-N218 VanDerWaalsContact O-N 3.08Å; L216-I219 HydrophobicContact CG-CD1 4.39Å; L216-I219 VanDerWaalsContact O-CG1 3.32Å; L216-I219 WeakPolarHBondContact O-CG1 3.36Å; L216-I219 PolarHBondContact O-N 3.37Å; L216-L225 HydrophobicContact CD2-CD2 3.91Å; L216-L242 HydrophobicContact CD2-CD1 4.25Å
217C98Very high98.2Very high4 Ų432.5 Ų32.53%0.02717%0.173CC..G310 helixtrans-71.3-2.1179.7-510000113.8A214 E215 I219 E238 L239 G241A214-C217 VanDerWaalsContact O-CB 3.22Å; A214-C217 WeakPolarHBondContact O-CB 3.44Å; A214-C217 PolarHBondContact O-N 3.46Å; E215-C217 PolarHBondContact O-N 3.31Å; C217-I219 VanDerWaalsContact C-N 3.33Å; C217-E238 HydrophobicContact CB-CB 3.74Å; C217-E238 WeakPolarHBondContact CB-O 3.47Å; C217-E238 VanDerWaalsContact SG-C 3.52Å; C217-L239 VanDerWaalsContact SG-CA 3.57Å; C217-L239 PolarHBondContact SG-N 2.72Å; C217-G241 CarbonylContact O-C 3.18Å; C217-G241 VanDerWaalsContact O-C 3.31Å
218N97.8Very high98.2Very high101 Ų10132.9 Ų32.954%0.5418%0.176SC..G310 helixtrans-80.4-12.6172.1-66.4-33.4000113.3E215 L216 K220E215-N218 VanDerWaalsContact O-CB 3.23Å; E215-N218 WeakPolarHBondContact O-CB 3.43Å; E215-N218 PolarHBondContact O-N 3.31Å; E215-N218 PolarHBondContact O-ND2 3.01Å; L216-N218 PolarHBondContact O-N 3.5Å; L216-N218 VanDerWaalsContact O-N 3.08Å; N218-K220 VanDerWaalsContact C-N 3.3Å; N218-K220 PolarHBondContact O-N 3.45Å
219I98.1Very high98.2Very high0 Ų034 Ų340%018%0.181CC..  trans-77.879.5-178.8-53.3171.9000109.5L196 L199 L216 C217 S221 L222 L242L196-I219 HydrophobicContact CB-CD1 4.49Å; L196-I219 WeakPolarHBondContact O-CG2 3.35Å; L199-I219 HydrophobicContact CB-CG2 3.91Å; L199-I219 HydrophobicContact CD2-CD1 4.15Å; L199-I219 WeakPolarHBondContact O-CG2 3.34Å; L216-I219 HydrophobicContact CG-CD1 4.39Å; L216-I219 VanDerWaalsContact O-CG1 3.32Å; L216-I219 WeakPolarHBondContact O-CG1 3.36Å; L216-I219 PolarHBondContact O-N 3.37Å; C217-I219 VanDerWaalsContact C-N 3.33Å; I219-S221 PolarHBondContact O-N 2.85Å; I219-S221 VanDerWaalsContact O-N 3.17Å; I219-L222 HydrophobicContact CB-CB 4.34Å; I219-L222 HydrophobicContact CG2-CB 3.89Å; I219-L222 HydrophobicContact CG2-CD1 4.26Å; I219-L222 WeakPolarHBondContact O-CB 3.09Å; I219-L222 PolarHBondContact O-N 3.25Å; I219-L222 VanDerWaalsContact O-N 3.16Å; I219-L242 HydrophobicContact CB-CD2 4.36Å; I219-L242 VanDerWaalsContact O-CD2 3.31Å; I219-L242 WeakPolarHBondContact O-CD2 3.09Å
220K97.9Very high98.2Very high139 Ų13934.5 Ų34.560%0.60419%0.185SC*.THydrogen-bonded Turntrans-66.9-16.7-175.5-65.4178.8-176.4177.90114.1N218 L222 V243 S244N218-K220 VanDerWaalsContact C-N 3.3Å; N218-K220 PolarHBondContact O-N 3.45Å; K220-L222 VanDerWaalsContact C-N 3.34Å; K220-V243 HydrophobicContact CB-CG2 4.16Å; K220-V243 HydrophobicContact CG-CG2 4.36Å; K220-S244 WeakPolarHBondContact O-CB 3.47Å; K220-S244 PolarHBondContact O-OG 3.14Å
221S98.4Very high98.2Very high32 Ų3236.4 Ų36.422%0.22419%0.187CC..THydrogen-bonded Turntrans-82.4-10.7177.540.80000113.5I197 L199 I219 L223I197-S221 WeakPolarHBondContact O-CB 3.26Å; I197-S221 PolarHBondContact O-OG 3.38Å; L199-S221 CarbonylContact O-C 3.43Å; L199-S221 VanDerWaalsContact O-C 3.23Å; L199-S221 PolarHBondContact O-OG 2.78Å; L199-S221 VanDerWaalsContact O-OG 3.08Å; I219-S221 PolarHBondContact O-N 2.85Å; I219-S221 VanDerWaalsContact O-N 3.17Å; S221-L223 PolarHBondContact O-N 3.43Å
222L98.6Very high98.3Very high0 Ų033 Ų330%017%0.17CC..  trans-66126.4-174.9-156.670.3000110.5L199 L202 I219 K220 L225 L242 S244 L245L199-L222 HydrophobicContact CB-CD1 4.43Å; L199-L222 HydrophobicContact CD2-CD1 4.1Å; L199-L222 HydrophobicContact CG-CD1 4.05Å; L199-L222 VanDerWaalsContact O-CA 3.29Å; L199-L222 WeakPolarHBondContact O-CA 3.5Å; L199-L222 PolarHBondContact O-N 2.74Å; L199-L222 VanDerWaalsContact O-N 3.17Å; L202-L222 HydrophobicContact CB-CD1 3.85Å; I219-L222 HydrophobicContact CB-CB 4.34Å; I219-L222 HydrophobicContact CG2-CB 3.89Å; I219-L222 HydrophobicContact CG2-CD1 4.26Å; I219-L222 WeakPolarHBondContact O-CB 3.09Å; I219-L222 PolarHBondContact O-N 3.25Å; I219-L222 VanDerWaalsContact O-N 3.16Å; K220-L222 VanDerWaalsContact C-N 3.34Å; L222-L225 HydrophobicContact CD2-CB 3.88Å; L222-L225 HydrophobicContact CD2-CD1 4.28Å; L222-L225 HydrophobicContact CD2-CD2 4.25Å; L222-L225 HydrophobicContact CD2-CG 4.36Å; L222-L242 HydrophobicContact CB-CD2 4.17Å; L222-L242 HydrophobicContact CD2-CD1 4.17Å; L222-L242 HydrophobicContact CD2-CD2 4.05Å; L222-S244 CarbonylContact O-C 3.46Å; L222-L245 HydrophobicContact CB-CD1 4.39Å; L222-L245 HydrophobicContact CD2-CD1 4.15Å; L222-L245 HydrophobicContact CG-CD1 4.12Å; L222-L245 VanDerWaalsContact O-CA 3.27Å; L222-L245 WeakPolarHBondContact O-CA 3.4Å; L222-L245 PolarHBondContact O-N 2.92Å; L222-L245 VanDerWaalsContact O-N 3.08Å
223L98.5Very high98.3Very high58 Ų5837.9 Ų37.930%0.30419%0.193SC..  trans-103.6-46.6178-57.4179000109.9K200 S221 S244 L245 T246 D247K200-L223 HydrophobicContact CB-CD1 4.21Å; K200-L223 HydrophobicContact CB-CG 4.29Å; K200-L223 HydrophobicContact CD-CD1 4.43Å; K200-L223 HydrophobicContact CG-CD1 4.4Å; K200-L223 PolarHBondContact O-N 2.92Å; S221-L223 PolarHBondContact O-N 3.43Å; L223-S244 WeakPolarHBondContact CD2-O 3.44Å; L223-L245 WeakPolarHBondContact O-CD1 3.41Å; L223-T246 PolarHBondContact O-N 3.16Å; L223-T246 PolarHBondContact O-OG1 3.18Å; L223-D247 PolarHBondContact O-N 3.36Å
224C98.4Very high98.3Very high3 Ų341 Ų412%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-121.1128.2-178.8-175.60000111.4K200 N201 L202 D247K200-C224 PolarHBondContact O-N 2.99Å; N201-C224 WeakPolarHBondContact OD1-CB 3.43Å; L202-C224 PolarHBondContact N-O 3.35Å; C224-D247 HydrophobicContact CB-CB 4.21Å
225L98.7Very high98.3Very high1 Ų139.7 Ų39.71%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-128.8112.3173178.856.3000109.6L202 L216 L222 L227 L242 L245 D247 L248 L249L202-L225 HydrophobicContact CB-CD1 4.16Å; L202-L225 HydrophobicContact CD2-CD1 3.99Å; L202-L225 HydrophobicContact CG-CD1 4.06Å; L216-L225 HydrophobicContact CD2-CD2 3.91Å; L222-L225 HydrophobicContact CD2-CB 3.88Å; L222-L225 HydrophobicContact CD2-CD1 4.28Å; L222-L225 HydrophobicContact CD2-CD2 4.25Å; L222-L225 HydrophobicContact CD2-CG 4.36Å; L225-L227 HydrophobicContact CD1-CD1 4.41Å; L225-L227 HydrophobicContact CD1-CD2 4.01Å; L225-L227 HydrophobicContact CD1-CG 3.94Å; L225-L227 HydrophobicContact CD2-CD1 3.97Å; L225-L227 HydrophobicContact CD2-CG 4.35Å; L225-L227 HydrophobicContact CG-CD1 4.08Å; L225-L227 HydrophobicContact CG-CG 3.93Å; L225-L242 HydrophobicContact CD2-CD1 3.9Å; L225-L245 HydrophobicContact CB-CD1 3.85Å; L225-D247 PolarHBondContact N-O 3.3Å; L225-L248 HydrophobicContact CB-CD1 4.2Å; L225-L248 HydrophobicContact CD2-CD1 4.03Å; L225-L248 HydrophobicContact CG-CD1 4.15Å; L225-L249 PolarHBondContact O-N 2.77Å
226D98.7Very high98.3Very high16 Ų1637.4 Ų37.49%0.08618%0.184CC..EExtended strand (participates in β ladder)trans-108.3112.9173.9-167.3-5.7000110.7L202 L204 D205 S228 L249L202-D226 PolarHBondContact O-N 3.44Å; L204-D226 CarbonylContact C-O 3.1Å; L204-D226 WeakPolarHBondContact CA-O 3.45Å; L204-D226 WeakPolarHBondContact CB-O 3.31Å; L204-D226 PolarHBondContact N-O 3.07Å; D205-D226 PolarHBondContact N-O 3.26Å; D226-S228 WeakPolarHBondContact OD1-CB 3.42Å; D226-S228 PolarHBondContact OD1-N 3.04Å; D226-S228 PolarHBondContact OD1-OG 3.02Å; D226-L249 HydrophobicContact CB-CB 4.29Å; D226-L249 HydrophobicContact CB-CD1 4.2Å; D226-L249 WeakPolarHBondContact OD1-CB 3.4Å
227L98.7Very high98.3Very high1 Ų141.8 Ų41.81%0.00521%0.205CC..  trans-116.414.3177.8-64.5173.1000111.2L204 I212 L225 N230 L232 L235 L249 V250 N253L204-L227 HydrophobicContact CB-CD2 4.05Å; L204-L227 HydrophobicContact CD1-CD2 3.67Å; I212-L227 HydrophobicContact CD1-CD1 4.27Å; I212-L227 HydrophobicContact CD1-CD2 3.55Å; I212-L227 HydrophobicContact CG1-CD1 3.95Å; I212-L227 HydrophobicContact CG1-CD2 4.17Å; L225-L227 HydrophobicContact CD1-CD1 4.41Å; L225-L227 HydrophobicContact CD1-CD2 4.01Å; L225-L227 HydrophobicContact CD1-CG 3.94Å; L225-L227 HydrophobicContact CD2-CD1 3.97Å; L225-L227 HydrophobicContact CD2-CG 4.35Å; L225-L227 HydrophobicContact CG-CD1 4.08Å; L225-L227 HydrophobicContact CG-CG 3.93Å; L227-N230 PolarHBondContact O-ND2 3.02Å; L227-N230 VanDerWaalsContact O-ND2 3.14Å; L227-L232 HydrophobicContact CB-CD1 3.95Å; L227-L232 HydrophobicContact CD1-CD1 4.03Å; L227-L232 HydrophobicContact CG-CD1 4.42Å; L227-L235 HydrophobicContact CD1-CD2 4.11Å; L227-L249 PolarHBondContact N-O 3.01Å; L227-V250 HydrophobicContact CB-CG1 4.22Å; L227-V250 HydrophobicContact CD1-CG1 4.27Å; L227-N253 PolarHBondContact O-ND2 2.77Å
228S98.6Very high98.3Very high13 Ų1346.5 Ų46.59%0.09123%0.226CC..  trans-62.6158.4-174.5-49.90000111.8D205 G206 D226 N230 L249 S251D205-S228 CarbonylContact C-O 3.5Å; D205-S228 WeakPolarHBondContact CA-O 3.44Å; G206-S228 PolarHBondContact N-O 3.06Å; D226-S228 WeakPolarHBondContact OD1-CB 3.42Å; D226-S228 PolarHBondContact OD1-N 3.04Å; D226-S228 PolarHBondContact OD1-OG 3.02Å; S228-N230 PolarHBondContact O-N 2.79Å; S228-N230 PolarHBondContact O-ND2 3.03Å; S228-L249 WeakPolarHBondContact OG-CB 3.05Å; S228-S251 CarbonylContact C-O 3.23Å; S228-S251 WeakPolarHBondContact CA-O 3.5Å; S228-S251 WeakPolarHBondContact CB-O 3.34Å
229E98.2Very high98.3Very high93 Ų9341.9 Ų41.944%0.43520%0.202SC..SBendtrans54.352.8175.8-60.8178.5-131.200112.5G206 N207 S251 Q252G206-E229 CarbonylContact C-O 3.24Å; G206-E229 WeakPolarHBondContact CA-O 3.15Å; G206-E229 PolarHBondContact N-O 2.84Å; N207-E229 PolarHBondContact N-O 2.94Å; N207-E229 VanDerWaalsContact N-O 3.16Å; E229-S251 PolarHBondContact N-O 3.08Å; E229-Q252 VanDerWaalsContact CA-O 3.28Å; E229-Q252 WeakPolarHBondContact CA-O 3.48Å; E229-Q252 HydrophobicContact CG-CB 3.89Å; E229-Q252 HydrophobicContact CG-CG 4.36Å; E229-Q252 PolarHBondContact N-O 2.91Å
230N98.7Very high98.3Very high12 Ų1242.1 Ų42.16%0.06420%0.204CC..SBendtrans-127.9-166.4175.4-86.4-84000110L204 N207 L209 L227 S228 L232 Q252 N253L204-N230 PolarHBondContact O-ND2 3Å; N207-N230 WeakPolarHBondContact CA-OD1 3.2Å; N207-N230 WeakPolarHBondContact CB-OD1 3.49Å; N207-N230 PolarHBondContact O-OD1 2.91Å; L209-N230 HydrophobicContact CB-CB 4.39Å; L209-N230 VanDerWaalsContact CB-OD1 3.26Å; L209-N230 WeakPolarHBondContact CB-OD1 3.43Å; L209-N230 WeakPolarHBondContact CG-OD1 3.45Å; L209-N230 PolarHBondContact N-OD1 2.95Å; L227-N230 PolarHBondContact O-ND2 3.02Å; L227-N230 VanDerWaalsContact O-ND2 3.14Å; S228-N230 PolarHBondContact O-N 2.79Å; S228-N230 PolarHBondContact O-ND2 3.03Å; N230-L232 HydrophobicContact CB-CG 4.21Å; N230-Q252 PolarHBondContact N-O 3.11Å; N230-N253 WeakPolarHBondContact CA-OD1 3.45Å; N230-N253 WeakPolarHBondContact CB-OD1 3.41Å; N230-N253 PolarHBondContact N-OD1 2.69Å; N230-N253 PolarHBondContact O-OD1 3.09Å
231Q98.4Very high98.3Very high101 Ų10136.7 Ų36.747%0.47219%0.188SC..  trans-11728.5-178.5-57.6177.118.300111.7H208 L209 E233 N253H208-Q231 PolarHBondContact ND1-NE2 3.28Å; H208-Q231 VanDerWaalsContact ND1-NE2 3.12Å; L209-Q231 CarbonylContact O-C 3.53Å; L209-Q231 WeakPolarHBondContact O-CA 3.48Å; L209-Q231 PolarHBondContact O-N 2.73Å; Q231-E233 PolarHBondContact O-N 3Å; Q231-N253 PolarHBondContact N-OD1 2.75Å
232L98.6Very high98.3Very high0 Ų035.2 Ų35.20%018%0.177CC..  trans-70.7129.9-175.1-59.3174.7000111.1L209 I212 L227 N230 L235 N253 S254 L255L209-L232 HydrophobicContact CB-CD2 4.14Å; L209-L232 WeakPolarHBondContact O-CD2 3.42Å; L209-L232 PolarHBondContact O-N 3.38Å; I212-L232 HydrophobicContact CD1-CD1 4.24Å; I212-L232 HydrophobicContact CD1-CD2 3.97Å; I212-L232 HydrophobicContact CG1-CD1 3.95Å; I212-L232 HydrophobicContact CG1-CD2 3.81Å; L227-L232 HydrophobicContact CB-CD1 3.95Å; L227-L232 HydrophobicContact CD1-CD1 4.03Å; L227-L232 HydrophobicContact CG-CD1 4.42Å; N230-L232 HydrophobicContact CB-CG 4.21Å; L232-L235 HydrophobicContact CD1-CD2 4.3Å; L232-N253 HydrophobicContact CB-CB 4.31Å; L232-N253 VanDerWaalsContact CB-OD1 3.3Å; L232-N253 WeakPolarHBondContact CB-OD1 3.36Å; L232-N253 WeakPolarHBondContact CG-OD1 3.46Å; L232-N253 PolarHBondContact N-OD1 2.88Å; L232-S254 CarbonylContact O-C 3.55Å; L232-S254 VanDerWaalsContact O-CA 3.25Å; L232-S254 WeakPolarHBondContact O-CA 3.33Å; L232-S254 PolarHBondContact O-N 2.82Å; L232-L255 HydrophobicContact CB-CD2 3.88Å; L232-L255 PolarHBondContact O-N 2.87Å; L232-L255 VanDerWaalsContact O-N 3.16Å
233E97.8Very high98.3Very high114 Ų11438.6 Ų38.653%0.53320%0.197SC..SBendtrans-96-26.8173-66.1-177.2-179.500112.4Q231 L255 E256Q231-E233 PolarHBondContact O-N 3Å; E233-L255 WeakPolarHBondContact O-CA 3.27Å; E233-E256 PolarHBondContact O-N 2.91Å
234F97.9Very high98.3Very high81 Ų8137.6 Ų37.636%0.35520%0.196SC..  trans-147.3156.2178.755.5-90000111.2E211E211-F234 HydrophobicContact CB-CZ 4.37Å
235L98.4Very high98.3Very high4 Ų437.5 Ų37.52%0.02120%0.195CC..  trans-99.7148.5164.6-59.9173.4000109L227 L232 L239 V250 L255 P259L227-L235 HydrophobicContact CD1-CD2 4.11Å; L232-L235 HydrophobicContact CD1-CD2 4.3Å; L235-L239 HydrophobicContact CB-CD2 4.42Å; L235-L239 HydrophobicContact CD1-CD2 3.94Å; L235-V250 HydrophobicContact CD1-CG1 4.2Å; L235-V250 HydrophobicContact CD2-CG1 4.18Å; L235-L255 HydrophobicContact CD1-CD1 4.21Å; L235-L255 HydrophobicContact CD2-CD1 4.48Å; L235-L255 HydrophobicContact CD2-CD2 4.33Å; L235-L255 HydrophobicContact CG-CD1 4.15Å; L235-L255 HydrophobicContact CG-CD2 4.06Å; L235-P259 HydrophobicContact CB-CG 4.04Å
236P97.8Very high98.3Very high12 Ų1239.2 Ų39.28%0.07821%0.205CC..  trans-64.2145.617926.5-34.7000112A214 E238 L239A214-P236 HydrophobicContact CB-CB 4.44Å; P236-E238 PolarHBondContact O-N 2.87Å; P236-E238 VanDerWaalsContact O-N 3.14Å; P236-L239 VanDerWaalsContact O-CB 3.25Å; P236-L239 WeakPolarHBondContact O-CB 3.16Å; P236-L239 PolarHBondContact O-N 3.09Å
237E97.3Very high98.3Very high93 Ų9339.1 Ų39.144%0.43521%0.205SC..G310 helixtrans-64.2-17.6174.5-77.1-62.9156.500112.2L239 P259 S261E237-L239 PolarHBondContact O-N 2.87Å; E237-P259 WeakPolarHBondContact OE1-CB 3.26Å; E237-S261 WeakPolarHBondContact O-CB 3.34Å; E237-S261 PolarHBondContact O-OG 2.99Å
238E98.4Very high98.3Very high103 Ų10339.1 Ų39.148%0.48121%0.205SC..G310 helixtrans-73.9-8.5173.5-65.774.1-164.300113.5A214 C217 P236 G240 G241A214-E238 HydrophobicContact CB-CB 4.34Å; A214-E238 HydrophobicContact CB-CG 4.05Å; A214-E238 WeakPolarHBondContact CB-OE2 3.44Å; C217-E238 HydrophobicContact CB-CB 3.74Å; C217-E238 WeakPolarHBondContact CB-O 3.47Å; C217-E238 VanDerWaalsContact SG-C 3.52Å; P236-E238 PolarHBondContact O-N 2.87Å; P236-E238 VanDerWaalsContact O-N 3.14Å; E238-G240 PolarHBondContact O-N 2.96Å; E238-G241 PolarHBondContact O-N 2.97Å
239L98.5Very high98.3Very high4 Ų439.9 Ų39.92%0.02121%0.208CC..G310 helixtrans-46.3-39.5-176.6-177.370.9000113.3C217 L235 P236 E237 G241 L242 L248 P259 I262 L265C217-L239 VanDerWaalsContact SG-CA 3.57Å; C217-L239 PolarHBondContact SG-N 2.72Å; L235-L239 HydrophobicContact CB-CD2 4.42Å; L235-L239 HydrophobicContact CD1-CD2 3.94Å; P236-L239 VanDerWaalsContact O-CB 3.25Å; P236-L239 WeakPolarHBondContact O-CB 3.16Å; P236-L239 PolarHBondContact O-N 3.09Å; E237-L239 PolarHBondContact O-N 2.87Å; L239-G241 PolarHBondContact O-N 3.4Å; L239-L242 HydrophobicContact CD1-CD1 3.89Å; L239-L242 PolarHBondContact O-N 3.24Å; L239-L242 VanDerWaalsContact O-N 3.08Å; L239-L248 HydrophobicContact CD1-CD2 4.47Å; L239-L248 HydrophobicContact CD2-CD2 3.95Å; L239-P259 HydrophobicContact CB-CG 4.25Å; L239-P259 HydrophobicContact CD2-CG 3.97Å; L239-I262 HydrophobicContact CD2-CD1 3.88Å; L239-L265 HydrophobicContact CG-CD1 4.45Å
240G97.8Very high98.3Very high4 Ų435.5 Ų35.54%0.04119%0.187CC..G310 helixtrans-61.2-2.1174.800000116.4E238 S261E238-G240 PolarHBondContact O-N 2.96Å; G240-S261 VanDerWaalsContact CA-O 3.29Å; G240-S261 WeakPolarHBondContact CA-O 3.3Å; G240-S261 PolarHBondContact N-OG 3.04Å
241G98.3Very high98.3Very high26 Ų2635.4 Ų35.427%0.26819%0.188SC..G310 helixtrans-76.5-19.5170.600000114C217 E238 L239 V243C217-G241 CarbonylContact O-C 3.18Å; C217-G241 VanDerWaalsContact O-C 3.31Å; E238-G241 PolarHBondContact O-N 2.97Å; L239-G241 PolarHBondContact O-N 3.4Å; G241-V243 PolarHBondContact O-N 2.88Å
242L98.5Very high98.3Very high0 Ų034.9 Ų34.90%019%0.185CC..  trans-76.257.7175.2-58.7177.1000111.3L216 I219 L222 L225 L239 S244 L245 L265L216-L242 HydrophobicContact CD2-CD1 4.25Å; I219-L242 HydrophobicContact CB-CD2 4.36Å; I219-L242 VanDerWaalsContact O-CD2 3.31Å; I219-L242 WeakPolarHBondContact O-CD2 3.09Å; L222-L242 HydrophobicContact CB-CD2 4.17Å; L222-L242 HydrophobicContact CD2-CD1 4.17Å; L222-L242 HydrophobicContact CD2-CD2 4.05Å; L225-L242 HydrophobicContact CD2-CD1 3.9Å; L239-L242 HydrophobicContact CD1-CD1 3.89Å; L239-L242 PolarHBondContact O-N 3.24Å; L239-L242 VanDerWaalsContact O-N 3.08Å; L242-S244 PolarHBondContact O-N 3.14Å; L242-L245 HydrophobicContact CB-CB 3.99Å; L242-L245 HydrophobicContact CB-CD2 4.39Å; L242-L245 HydrophobicContact CD1-CD1 4.42Å; L242-L245 HydrophobicContact CD1-CD2 4.1Å; L242-L245 WeakPolarHBondContact O-CB 3.25Å; L242-L245 PolarHBondContact O-N 2.91Å; L242-L265 HydrophobicContact CB-CD2 4.26Å; L242-L265 VanDerWaalsContact O-CD2 3.26Å; L242-L265 WeakPolarHBondContact O-CD2 3.47Å
243V97.8Very high98.3Very high71 Ų7135.5 Ų35.543%0.4319%0.189SC..THydrogen-bonded Turntrans-59.5-18.9-168.1-65.10000115.5K220 G241 N267K220-V243 HydrophobicContact CB-CG2 4.16Å; K220-V243 HydrophobicContact CG-CG2 4.36Å; G241-V243 PolarHBondContact O-N 2.88Å; V243-N267 PolarHBondContact O-ND2 2.74Å; V243-N267 VanDerWaalsContact O-ND2 3.11Å
244S98.4Very high98.3Very high38 Ų3831.7 Ų31.727%0.26618%0.175SC..THydrogen-bonded Turntrans-95.6-3.7177.9-52.10000113.5K220 L222 L223 L242 T246K220-S244 WeakPolarHBondContact O-CB 3.47Å; K220-S244 PolarHBondContact O-OG 3.14Å; L222-S244 CarbonylContact O-C 3.46Å; L223-S244 WeakPolarHBondContact CD2-O 3.44Å; L242-S244 PolarHBondContact O-N 3.14Å; S244-T246 PolarHBondContact O-N 3.25Å
245L98.7Very high98.4Very high0 Ų027.9 Ų27.90%016%0.158CC..  trans-62.1126.9-173-16175.4000111.1L222 L223 L225 L242 L248 L265 N267 L268L222-L245 HydrophobicContact CB-CD1 4.39Å; L222-L245 HydrophobicContact CD2-CD1 4.15Å; L222-L245 HydrophobicContact CG-CD1 4.12Å; L222-L245 VanDerWaalsContact O-CA 3.27Å; L222-L245 WeakPolarHBondContact O-CA 3.4Å; L222-L245 PolarHBondContact O-N 2.92Å; L222-L245 VanDerWaalsContact O-N 3.08Å; L223-L245 WeakPolarHBondContact O-CD1 3.41Å; L225-L245 HydrophobicContact CB-CD1 3.85Å; L242-L245 HydrophobicContact CB-CB 3.99Å; L242-L245 HydrophobicContact CB-CD2 4.39Å; L242-L245 HydrophobicContact CD1-CD1 4.42Å; L242-L245 HydrophobicContact CD1-CD2 4.1Å; L242-L245 WeakPolarHBondContact O-CB 3.25Å; L242-L245 PolarHBondContact O-N 2.91Å; L245-L248 HydrophobicContact CD2-CB 3.87Å; L245-L248 HydrophobicContact CD2-CD1 4.23Å; L245-L248 HydrophobicContact CD2-CD2 4.41Å; L245-L248 HydrophobicContact CD2-CG 4.39Å; L245-L265 HydrophobicContact CD2-CD1 3.92Å; L245-N267 CarbonylContact O-C 3.16Å; L245-N267 VanDerWaalsContact O-C 3.22Å; L245-L268 HydrophobicContact CD2-CD1 4.3Å; L245-L268 HydrophobicContact CG-CD1 4.46Å; L245-L268 VanDerWaalsContact O-CA 3.31Å; L245-L268 WeakPolarHBondContact O-CA 3.27Å; L245-L268 PolarHBondContact O-N 3.29Å; L245-L268 VanDerWaalsContact O-N 3.1Å
246T98.6Very high98.3Very high38 Ų3832.9 Ų32.923%0.23318%0.181CC..  trans-106.3-34.4176.755.20000111.1L223 S244 S269 I270L223-T246 PolarHBondContact O-N 3.16Å; L223-T246 PolarHBondContact O-OG1 3.18Å; S244-T246 PolarHBondContact O-N 3.25Å; T246-S269 PolarHBondContact O-N 2.85Å; T246-I270 PolarHBondContact O-N 2.98Å
247D98.6Very high98.3Very high13 Ų1336.9 Ų36.97%0.0720%0.195CC..EExtended strand (participates in β ladder)trans-129.1115.7-171.8-62.8-108.9000109.8L223 C224 L225 I270L223-D247 PolarHBondContact O-N 3.36Å; C224-D247 HydrophobicContact CB-CB 4.21Å; L225-D247 PolarHBondContact N-O 3.3Å; D247-I270 WeakPolarHBondContact OD1-CD1 3.31Å
248L98.8Very high98.3Very high1 Ų132.7 Ų32.71%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-120.9111173.3-179.157.6000109.7L225 L239 L245 V250 I262 L268 I270 L271 K272L225-L248 HydrophobicContact CB-CD1 4.2Å; L225-L248 HydrophobicContact CD2-CD1 4.03Å; L225-L248 HydrophobicContact CG-CD1 4.15Å; L239-L248 HydrophobicContact CD1-CD2 4.47Å; L239-L248 HydrophobicContact CD2-CD2 3.95Å; L245-L248 HydrophobicContact CD2-CB 3.87Å; L245-L248 HydrophobicContact CD2-CD1 4.23Å; L245-L248 HydrophobicContact CD2-CD2 4.41Å; L245-L248 HydrophobicContact CD2-CG 4.39Å; L248-V250 HydrophobicContact CD1-CG1 3.77Å; L248-V250 HydrophobicContact CG-CG1 4.01Å; L248-I262 HydrophobicContact CD2-CD1 3.96Å; L248-L268 HydrophobicContact CB-CD1 3.8Å; L248-I270 PolarHBondContact N-O 3Å; L248-L271 HydrophobicContact CB-CD1 4.12Å; L248-L271 HydrophobicContact CD2-CD1 3.99Å; L248-L271 HydrophobicContact CG-CD1 4.02Å; L248-L271 WeakPolarHBondContact O-CA 3.47Å; L248-K272 PolarHBondContact O-N 2.78Å
249L98.8Very high98.3Very high30 Ų3027.8 Ų27.816%0.15715%0.153CC..EExtended strand (participates in β ladder)trans-110.9117.3177.9-45.5-180000108.4L225 D226 L227 S228 I270 K272L225-L249 PolarHBondContact O-N 2.77Å; D226-L249 HydrophobicContact CB-CB 4.29Å; D226-L249 HydrophobicContact CB-CD1 4.2Å; D226-L249 WeakPolarHBondContact OD1-CB 3.4Å; L227-L249 PolarHBondContact N-O 3.01Å; S228-L249 WeakPolarHBondContact OG-CB 3.05Å; L249-I270 HydrophobicContact CD2-CG2 4.22Å; L249-K272 HydrophobicContact CD2-CB 3.83Å; L249-K272 HydrophobicContact CD2-CD 3.85Å; L249-K272 HydrophobicContact CD2-CG 3.71Å
250V98.7Very high98.3Very high1 Ų132.3 Ų32.31%0.00617%0.174CC..  trans-132.921.6-179.3-61.40000111.1L227 L235 L248 N253 L255 K272 A273 N276L227-V250 HydrophobicContact CB-CG1 4.22Å; L227-V250 HydrophobicContact CD1-CG1 4.27Å; L235-V250 HydrophobicContact CD1-CG1 4.2Å; L235-V250 HydrophobicContact CD2-CG1 4.18Å; L248-V250 HydrophobicContact CD1-CG1 3.77Å; L248-V250 HydrophobicContact CG-CG1 4.01Å; V250-N253 PolarHBondContact O-ND2 2.82Å; V250-N253 VanDerWaalsContact O-ND2 3.14Å; V250-L255 HydrophobicContact CB-CD1 3.83Å; V250-L255 HydrophobicContact CG2-CD1 3.7Å; V250-K272 WeakPolarHBondContact CG2-O 3.4Å; V250-K272 PolarHBondContact N-O 3.35Å; V250-A273 HydrophobicContact CG2-CB 3.56Å; V250-N276 PolarHBondContact O-ND2 2.97Å
251S98.4Very high98.4Very high10 Ų1032.3 Ų32.37%0.0717%0.174CC..  trans-60.8154.1-177.8-52.60000111.7S228 E229 N253 K272 D274S228-S251 CarbonylContact C-O 3.23Å; S228-S251 WeakPolarHBondContact CA-O 3.5Å; S228-S251 WeakPolarHBondContact CB-O 3.34Å; E229-S251 PolarHBondContact N-O 3.08Å; S251-N253 PolarHBondContact O-ND2 2.78Å; S251-K272 PolarHBondContact N-O 2.93Å; S251-D274 CarbonylContact C-O 3.52Å; S251-D274 WeakPolarHBondContact CA-O 2.97Å; S251-D274 VanDerWaalsContact CB-OD1 3.26Å; S251-D274 WeakPolarHBondContact CB-OD1 3.32Å; S251-D274 WeakPolarHBondContact CB-OD2 3.37Å; S251-D274 VanDerWaalsContact OG-CG 3.32Å; S251-D274 PolarHBondContact OG-OD1 2.92Å
252Q98.3Very high98.4Very high90 Ų9031.1 Ų31.142%0.42116%0.161SC..SBendtrans55.757.1176-62.7-1777100113E229 N230 D274 L275E229-Q252 VanDerWaalsContact CA-O 3.28Å; E229-Q252 WeakPolarHBondContact CA-O 3.48Å; E229-Q252 HydrophobicContact CG-CB 3.89Å; E229-Q252 HydrophobicContact CG-CG 4.36Å; E229-Q252 PolarHBondContact N-O 2.91Å; N230-Q252 PolarHBondContact N-O 3.11Å; Q252-D274 PolarHBondContact N-O 3.04Å; Q252-L275 VanDerWaalsContact CA-O 3.23Å; Q252-L275 WeakPolarHBondContact CA-O 3.26Å; Q252-L275 HydrophobicContact CB-CB 4.42Å; Q252-L275 HydrophobicContact CG-CB 3.74Å; Q252-L275 HydrophobicContact CG-CD1 3.5Å; Q252-L275 VanDerWaalsContact CG-CD1 3.5Å; Q252-L275 HydrophobicContact CG-CG 4.25Å; Q252-L275 PolarHBondContact N-O 3.04Å
253N98.7Very high98.4Very high13 Ų1331.3 Ų31.37%0.0716%0.163CC..SBendtrans-128.6-164.7173.6-86.7-81.5000109.4L227 N230 Q231 L232 V250 S251 L255 L275 N276L227-N253 PolarHBondContact O-ND2 2.77Å; N230-N253 WeakPolarHBondContact CA-OD1 3.45Å; N230-N253 WeakPolarHBondContact CB-OD1 3.41Å; N230-N253 PolarHBondContact N-OD1 2.69Å; N230-N253 PolarHBondContact O-OD1 3.09Å; Q231-N253 PolarHBondContact N-OD1 2.75Å; L232-N253 HydrophobicContact CB-CB 4.31Å; L232-N253 VanDerWaalsContact CB-OD1 3.3Å; L232-N253 WeakPolarHBondContact CB-OD1 3.36Å; L232-N253 WeakPolarHBondContact CG-OD1 3.46Å; L232-N253 PolarHBondContact N-OD1 2.88Å; V250-N253 PolarHBondContact O-ND2 2.82Å; V250-N253 VanDerWaalsContact O-ND2 3.14Å; S251-N253 PolarHBondContact O-ND2 2.78Å; N253-L255 HydrophobicContact CB-CG 4.13Å; N253-L275 PolarHBondContact N-O 2.97Å; N253-N276 WeakPolarHBondContact CA-OD1 3.38Å; N253-N276 WeakPolarHBondContact CB-OD1 3.32Å; N253-N276 PolarHBondContact N-OD1 2.79Å; N253-N276 PolarHBondContact O-OD1 3.43Å
254S98.4Very high98.4Very high34 Ų3434.3 Ų34.324%0.23817%0.17CC..  trans-115.628.4173.7-78.60000112.5L232 E256 N276 K277L232-S254 CarbonylContact O-C 3.55Å; L232-S254 VanDerWaalsContact O-CA 3.25Å; L232-S254 WeakPolarHBondContact O-CA 3.33Å; L232-S254 PolarHBondContact O-N 2.82Å; S254-E256 PolarHBondContact O-N 3.39Å; S254-N276 PolarHBondContact N-OD1 3.01Å; S254-K277 PolarHBondContact OG-NZ 2.7Å
255L98.6Very high98.4Very high0 Ų032.5 Ų32.50%016%0.158CC..  trans-62.5127.3-175-62.3177.6000111.6L232 E233 L235 V250 N253 N276 K277 L278L232-L255 HydrophobicContact CB-CD2 3.88Å; L232-L255 PolarHBondContact O-N 2.87Å; L232-L255 VanDerWaalsContact O-N 3.16Å; E233-L255 WeakPolarHBondContact O-CA 3.27Å; L235-L255 HydrophobicContact CD1-CD1 4.21Å; L235-L255 HydrophobicContact CD2-CD1 4.48Å; L235-L255 HydrophobicContact CD2-CD2 4.33Å; L235-L255 HydrophobicContact CG-CD1 4.15Å; L235-L255 HydrophobicContact CG-CD2 4.06Å; V250-L255 HydrophobicContact CB-CD1 3.83Å; V250-L255 HydrophobicContact CG2-CD1 3.7Å; N253-L255 HydrophobicContact CB-CG 4.13Å; L255-N276 HydrophobicContact CB-CB 4.33Å; L255-N276 VanDerWaalsContact CB-OD1 3.26Å; L255-N276 WeakPolarHBondContact CB-OD1 3.45Å; L255-N276 WeakPolarHBondContact CG-OD1 3.22Å; L255-N276 PolarHBondContact N-OD1 3.24Å; L255-K277 CarbonylContact O-C 3.55Å; L255-K277 VanDerWaalsContact O-CA 3.26Å; L255-K277 WeakPolarHBondContact O-CA 3.11Å; L255-K277 WeakPolarHBondContact O-CB 3.31Å; L255-K277 PolarHBondContact O-N 2.92Å; L255-L278 HydrophobicContact CB-CD2 3.99Å; L255-L278 PolarHBondContact O-N 3.16Å; L255-L278 VanDerWaalsContact O-N 3.11Å
256E97.1Very high98.4Very high109 Ų10936.3 Ų36.351%0.50917%0.174SC..  trans-89.4-29.1177-63.8-170.3177.500113.2E233 S254 L278 T279E233-E256 PolarHBondContact O-N 2.91Å; S254-E256 PolarHBondContact O-N 3.39Å; E256-L278 WeakPolarHBondContact O-CA 3.35Å; E256-T279 PolarHBondContact O-N 2.63Å
257Y97.8Very high98.4Very high96 Ų9638.4 Ų38.438%0.37618%0.184SC..  trans-151.7161.2177.861.4-88.7000111.4
258I98.4Very high98.4Very high5 Ų537.8 Ų37.83%0.02618%0.181CC..  trans-99.8131.7167.2-59.8-179.1000107.4I262 L271 A273 L278 L281 P282I258-I262 HydrophobicContact CG2-CB 3.84Å; I258-I262 HydrophobicContact CG2-CD1 4.19Å; I258-I262 HydrophobicContact CG2-CG1 4Å; I258-I262 HydrophobicContact CG2-CG2 3.98Å; I258-L271 HydrophobicContact CD1-CD2 4.09Å; I258-A273 HydrophobicContact CD1-CB 4.5Å; I258-L278 HydrophobicContact CD1-CD1 4.03Å; I258-L278 HydrophobicContact CG1-CD1 4.13Å; I258-L278 HydrophobicContact CG1-CD2 3.95Å; I258-L281 HydrophobicContact CD1-CD2 4.02Å; I258-P282 HydrophobicContact CB-CG 4.35Å; I258-P282 HydrophobicContact CG2-CG 4.41Å; I258-P282 WeakPolarHBondContact O-CG 3.19Å
259P98.2Very high98.4Very high1 Ų139.3 Ų39.31%0.00619%0.192CC..  trans-65150.8-176.426.5-35.4000112.1L235 E237 L239 S261 I262L235-P259 HydrophobicContact CB-CG 4.04Å; E237-P259 WeakPolarHBondContact OE1-CB 3.26Å; L239-P259 HydrophobicContact CB-CG 4.25Å; L239-P259 HydrophobicContact CD2-CG 3.97Å; P259-S261 PolarHBondContact O-N 2.84Å; P259-S261 VanDerWaalsContact O-N 3.09Å; P259-I262 WeakPolarHBondContact O-CB 3.38Å; P259-I262 VanDerWaalsContact O-CG2 3.25Å; P259-I262 WeakPolarHBondContact O-CG2 3.17Å; P259-I262 PolarHBondContact O-N 2.72Å; P259-I262 VanDerWaalsContact O-N 3.08Å
260E98.4Very high98.4Very high98 Ų9839.5 Ų39.546%0.45819%0.192SC..G310 helixtrans-62.9-19.6179.7-73-71.9171.700112.5I262 G263 P282 T284E260-I262 PolarHBondContact O-N 3.09Å; E260-G263 PolarHBondContact O-N 2.58Å; E260-P282 VanDerWaalsContact CD-CB 3.44Å; E260-P282 HydrophobicContact CG-CB 4.3Å; E260-P282 WeakPolarHBondContact OE1-CB 3.25Å; E260-P282 WeakPolarHBondContact OE2-CB 3.4Å; E260-T284 WeakPolarHBondContact CA-OG1 3.49Å; E260-T284 HydrophobicContact CB-CG2 4.49Å; E260-T284 WeakPolarHBondContact O-CB 3.36Å; E260-T284 PolarHBondContact O-OG1 2.88Å; E260-T284 VanDerWaalsContact OE2-CB 3.26Å; E260-T284 WeakPolarHBondContact OE2-CB 3.31Å; E260-T284 WeakPolarHBondContact OE2-CG2 3.29Å; E260-T284 PolarHBondContact OE2-OG1 2.95Å
261S98.6Very high98.4Very high5 Ų539.5 Ų39.54%0.03519%0.192CC..G310 helixtrans-67.1-14.2175.970.90000114.1E237 G240 P259 G263 K264E237-S261 WeakPolarHBondContact O-CB 3.34Å; E237-S261 PolarHBondContact O-OG 2.99Å; G240-S261 VanDerWaalsContact CA-O 3.29Å; G240-S261 WeakPolarHBondContact CA-O 3.3Å; G240-S261 PolarHBondContact N-OG 3.04Å; P259-S261 PolarHBondContact O-N 2.84Å; P259-S261 VanDerWaalsContact O-N 3.09Å; S261-G263 PolarHBondContact O-N 3.04Å; S261-G263 VanDerWaalsContact O-N 3.16Å; S261-K264 VanDerWaalsContact O-CB 3.31Å; S261-K264 WeakPolarHBondContact O-CB 3.47Å; S261-K264 PolarHBondContact O-N 2.9Å
262I98.7Very high98.4Very high0 Ų042 Ų420%020%0.202CC..G310 helixtrans-52.9-36.1174.5-165.674.6000111.9L239 L248 I258 P259 E260 K264 L265 L268 P282 I285 C288L239-I262 HydrophobicContact CD2-CD1 3.88Å; L248-I262 HydrophobicContact CD2-CD1 3.96Å; I258-I262 HydrophobicContact CG2-CB 3.84Å; I258-I262 HydrophobicContact CG2-CD1 4.19Å; I258-I262 HydrophobicContact CG2-CG1 4Å; I258-I262 HydrophobicContact CG2-CG2 3.98Å; P259-I262 WeakPolarHBondContact O-CB 3.38Å; P259-I262 VanDerWaalsContact O-CG2 3.25Å; P259-I262 WeakPolarHBondContact O-CG2 3.17Å; P259-I262 PolarHBondContact O-N 2.72Å; P259-I262 VanDerWaalsContact O-N 3.08Å; E260-I262 PolarHBondContact O-N 3.09Å; I262-K264 PolarHBondContact O-N 3.08Å; I262-L265 HydrophobicContact CD1-CD1 3.72Å; I262-L265 WeakPolarHBondContact O-CB 3.45Å; I262-L265 WeakPolarHBondContact O-CG 3.27Å; I262-L265 PolarHBondContact O-N 3.09Å; I262-L268 HydrophobicContact CD1-CD2 3.94Å; I262-L268 HydrophobicContact CG1-CD2 4.32Å; I262-P282 HydrophobicContact CG2-CG 3.74Å; I262-I285 HydrophobicContact CG1-CD1 4.04Å; I262-I285 HydrophobicContact CG2-CD1 4.24Å; I262-C288 PolarHBondContact O-SG 3.42Å; I262-C288 VanDerWaalsContact O-SG 3.35Å
263G98.4Very high98.4Very high5 Ų537.7 Ų37.75%0.05218%0.182CC..G310 helixtrans-66.5-6.2179.500000115.4E260 S261 T284 N287E260-G263 PolarHBondContact O-N 2.58Å; S261-G263 PolarHBondContact O-N 3.04Å; S261-G263 VanDerWaalsContact O-N 3.16Å; G263-T284 WeakPolarHBondContact CA-O 3.21Å; G263-N287 VanDerWaalsContact O-CB 3.28Å; G263-N287 WeakPolarHBondContact O-CB 3.2Å
264K98.6Very high98.4Very high134 Ų13438.1 Ų38.158%0.58318%0.184SC*.G310 helixtrans-81.7-18.5170.6-61.5177.4-176.5166.90112.4S261 I262 K266S261-K264 VanDerWaalsContact O-CB 3.31Å; S261-K264 WeakPolarHBondContact O-CB 3.47Å; S261-K264 PolarHBondContact O-N 2.9Å; I262-K264 PolarHBondContact O-N 3.08Å; K264-K266 VanDerWaalsContact C-N 3.3Å; K264-K266 PolarHBondContact O-N 3.23Å
265L98.6Very high98.4Very high0 Ų039.6 Ų39.60%019%0.189CC..  trans-8074.7-177.8-53.5-171.9000110.8L239 L242 L245 I262 N267 L268L239-L265 HydrophobicContact CG-CD1 4.45Å; L242-L265 HydrophobicContact CB-CD2 4.26Å; L242-L265 VanDerWaalsContact O-CD2 3.26Å; L242-L265 WeakPolarHBondContact O-CD2 3.47Å; L245-L265 HydrophobicContact CD2-CD1 3.92Å; I262-L265 HydrophobicContact CD1-CD1 3.72Å; I262-L265 WeakPolarHBondContact O-CB 3.45Å; I262-L265 WeakPolarHBondContact O-CG 3.27Å; I262-L265 PolarHBondContact O-N 3.09Å; L265-N267 PolarHBondContact O-N 2.78Å; L265-L268 HydrophobicContact CB-CB 3.86Å; L265-L268 HydrophobicContact CB-CD2 4.47Å; L265-L268 HydrophobicContact CD1-CD2 4.36Å; L265-L268 VanDerWaalsContact O-CB 3.31Å; L265-L268 WeakPolarHBondContact O-CB 3.31Å; L265-L268 PolarHBondContact O-N 3.19Å
266K98.1Very high98.4Very high80 Ų8040.1 Ų40.135%0.34819%0.192SC..THydrogen-bonded Turntrans-66.7-23.2-175.8-62.5-56.6-170.9162.80114.2K264 N287 E289 S290K264-K266 VanDerWaalsContact C-N 3.3Å; K264-K266 PolarHBondContact O-N 3.23Å; K266-N287 WeakPolarHBondContact CD-O 3.39Å; K266-N287 WeakPolarHBondContact CE-O 3.15Å; K266-N287 PolarHBondContact NZ-O 3.21Å; K266-E289 IonicContact NZ-OE1 3.66Å; K266-E289 PolarHBondContact NZ-OE1 3.23Å; K266-S290 VanDerWaalsContact O-CB 3.23Å; K266-S290 WeakPolarHBondContact O-CB 3.32Å; K266-S290 PolarHBondContact O-OG 3.24Å
267N98.3Very high98.5Very high82 Ų8239.2 Ų39.244%0.43919%0.186SC..THydrogen-bonded Turntrans-91.8-5.4178.4-63.8-30.1000113.1V243 L245 L265 S269V243-N267 PolarHBondContact O-ND2 2.74Å; V243-N267 VanDerWaalsContact O-ND2 3.11Å; L245-N267 CarbonylContact O-C 3.16Å; L245-N267 VanDerWaalsContact O-C 3.22Å; L265-N267 PolarHBondContact O-N 2.78Å; N267-S269 PolarHBondContact O-N 2.86Å; N267-S269 VanDerWaalsContact O-N 3.11Å
268L98.8Very high98.5Very high0 Ų034.6 Ų34.60%017%0.168CC..  trans-61.7117.8-178.6-170.670.8000109.4L245 L248 I262 L265 L271 S290 L291L245-L268 HydrophobicContact CD2-CD1 4.3Å; L245-L268 HydrophobicContact CG-CD1 4.46Å; L245-L268 VanDerWaalsContact O-CA 3.31Å; L245-L268 WeakPolarHBondContact O-CA 3.27Å; L245-L268 PolarHBondContact O-N 3.29Å; L245-L268 VanDerWaalsContact O-N 3.1Å; L248-L268 HydrophobicContact CB-CD1 3.8Å; I262-L268 HydrophobicContact CD1-CD2 3.94Å; I262-L268 HydrophobicContact CG1-CD2 4.32Å; L265-L268 HydrophobicContact CB-CB 3.86Å; L265-L268 HydrophobicContact CB-CD2 4.47Å; L265-L268 HydrophobicContact CD1-CD2 4.36Å; L265-L268 VanDerWaalsContact O-CB 3.31Å; L265-L268 WeakPolarHBondContact O-CB 3.31Å; L265-L268 PolarHBondContact O-N 3.19Å; L268-L271 HydrophobicContact CD2-CB 4.24Å; L268-L271 HydrophobicContact CD2-CD2 4.49Å; L268-S290 CarbonylContact O-C 3.24Å; L268-L291 HydrophobicContact CD2-CD1 4.02Å; L268-L291 HydrophobicContact CG-CD1 3.9Å; L268-L291 WeakPolarHBondContact O-CA 3.44Å; L268-L291 PolarHBondContact O-N 2.76Å
269S98.6Very high98.5Very high33 Ų3337 Ų3723%0.23118%0.183CC..  trans-103.3-42-179.7-175.10000110.8T246 N267 L291 T292 E293T246-S269 PolarHBondContact O-N 2.85Å; N267-S269 PolarHBondContact O-N 2.86Å; N267-S269 VanDerWaalsContact O-N 3.11Å; S269-L291 WeakPolarHBondContact O-CD1 3.03Å; S269-T292 PolarHBondContact O-N 2.7Å; S269-T292 PolarHBondContact O-OG1 2.97Å; S269-T292 PolarHBondContact OG-OG1 3.18Å; S269-E293 PolarHBondContact O-N 2.97Å
270I98.8Very high98.4Very high33 Ų3341.1 Ų41.117%0.16921%0.205CC..EExtended strand (participates in β ladder)trans-122.5124.4-175.8-57.2-173.2000109.6T246 D247 L248 L249 K272 E293T246-I270 PolarHBondContact O-N 2.98Å; D247-I270 WeakPolarHBondContact OD1-CD1 3.31Å; L248-I270 PolarHBondContact N-O 3Å; L249-I270 HydrophobicContact CD2-CG2 4.22Å; I270-K272 HydrophobicContact CG2-CD 4.44Å; I270-K272 HydrophobicContact CG2-CG 3.97Å; I270-E293 HydrophobicContact CG1-CB 4.28Å; I270-E293 HydrophobicContact CG2-CB 4.39Å
271L98.8Very high98.4Very high1 Ų136.9 Ų36.91%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-126.1111.9169.5175.755.9000109.7L248 I258 L268 I285 L291 E293 L294 V295L248-L271 HydrophobicContact CB-CD1 4.12Å; L248-L271 HydrophobicContact CD2-CD1 3.99Å; L248-L271 HydrophobicContact CG-CD1 4.02Å; L248-L271 WeakPolarHBondContact O-CA 3.47Å; I258-L271 HydrophobicContact CD1-CD2 4.09Å; L268-L271 HydrophobicContact CD2-CB 4.24Å; L268-L271 HydrophobicContact CD2-CD2 4.49Å; L271-I285 HydrophobicContact CD2-CD1 3.87Å; L271-L291 HydrophobicContact CB-CD1 3.98Å; L271-E293 PolarHBondContact N-O 3.09Å; L271-L294 HydrophobicContact CB-CD1 3.97Å; L271-L294 HydrophobicContact CD2-CD1 3.76Å; L271-L294 HydrophobicContact CG-CD1 3.84Å; L271-L294 WeakPolarHBondContact O-CA 3.13Å; L271-V295 PolarHBondContact O-N 2.99Å
272K98.8Very high98.4Very high62 Ų6236.8 Ų36.827%0.2718%0.184SC..EExtended strand (participates in β ladder)trans-111.1117.3172.9-56.7-167.6-179178.60109.4L248 L249 V250 S251 I270 E293 V295L248-K272 PolarHBondContact O-N 2.78Å; L249-K272 HydrophobicContact CD2-CB 3.83Å; L249-K272 HydrophobicContact CD2-CD 3.85Å; L249-K272 HydrophobicContact CD2-CG 3.71Å; V250-K272 WeakPolarHBondContact CG2-O 3.4Å; V250-K272 PolarHBondContact N-O 3.35Å; S251-K272 PolarHBondContact N-O 2.93Å; I270-K272 HydrophobicContact CG2-CD 4.44Å; I270-K272 HydrophobicContact CG2-CG 3.97Å; K272-E293 VanDerWaalsContact CE-OE1 3.25Å; K272-E293 WeakPolarHBondContact CE-OE1 3.33Å; K272-E293 IonicContact NZ-OE1 3.81Å; K272-E293 PolarHBondContact NZ-OE1 3.47Å; K272-E293 IonicContact NZ-OE2 3.85Å; K272-V295 HydrophobicContact CB-CB 4.42Å; K272-V295 HydrophobicContact CG-CB 4.19Å; K272-V295 HydrophobicContact CG-CG2 4.21Å
273A98.5Very high98.4Very high0 Ų041.4 Ų41.40%021%0.206CC..  trans-137.631.8-179.700000111V250 I258 N276 L278 V295 L296 N299V250-A273 HydrophobicContact CG2-CB 3.56Å; I258-A273 HydrophobicContact CD1-CB 4.5Å; A273-N276 PolarHBondContact O-ND2 3.16Å; A273-L278 HydrophobicContact CB-CD1 3.98Å; A273-V295 CarbonylContact C-O 3.31Å; A273-V295 PolarHBondContact N-O 2.86Å; A273-L296 HydrophobicContact CB-CD2 4.13Å; A273-N299 PolarHBondContact O-ND2 2.9Å
274D98.3Very high98.4Very high23 Ų2342.7 Ų42.712%0.12321%0.212CC..  trans-64.3159.6173.453.7-73.4000112.3S251 Q252 N276 V295 T297S251-D274 CarbonylContact C-O 3.52Å; S251-D274 WeakPolarHBondContact CA-O 2.97Å; S251-D274 VanDerWaalsContact CB-OD1 3.26Å; S251-D274 WeakPolarHBondContact CB-OD1 3.32Å; S251-D274 WeakPolarHBondContact CB-OD2 3.37Å; S251-D274 VanDerWaalsContact OG-CG 3.32Å; S251-D274 PolarHBondContact OG-OD1 2.92Å; Q252-D274 PolarHBondContact N-O 3.04Å; D274-N276 PolarHBondContact O-N 2.93Å; D274-N276 PolarHBondContact O-ND2 3.46Å; D274-V295 HydrophobicContact CB-CG1 4.08Å; D274-V295 PolarHBondContact N-O 3.08Å; D274-T297 CarbonylContact C-O 3.04Å; D274-T297 WeakPolarHBondContact CA-O 3.41Å; D274-T297 VanDerWaalsContact CB-O 3.29Å; D274-T297 WeakPolarHBondContact CB-O 3.37Å
275L98.4Very high98.4Very high64 Ų6436.3 Ų36.334%0.33519%0.185SC..SBendtrans54.855.7177-66.2160.9000111.7Q252 N253 T297 E298Q252-L275 VanDerWaalsContact CA-O 3.23Å; Q252-L275 WeakPolarHBondContact CA-O 3.26Å; Q252-L275 HydrophobicContact CB-CB 4.42Å; Q252-L275 HydrophobicContact CG-CB 3.74Å; Q252-L275 HydrophobicContact CG-CD1 3.5Å; Q252-L275 VanDerWaalsContact CG-CD1 3.5Å; Q252-L275 HydrophobicContact CG-CG 4.25Å; Q252-L275 PolarHBondContact N-O 3.04Å; N253-L275 PolarHBondContact N-O 2.97Å; L275-T297 PolarHBondContact N-O 3.42Å; L275-E298 WeakPolarHBondContact CA-O 3.23Å; L275-E298 HydrophobicContact CD2-CB 3.53Å; L275-E298 HydrophobicContact CD2-CG 3.83Å; L275-E298 HydrophobicContact CG-CB 4Å; L275-E298 HydrophobicContact CG-CG 4.47Å; L275-E298 PolarHBondContact N-O 2.82Å
276N98.8Very high98.4Very high11 Ų1136.4 Ų36.46%0.05919%0.186CC..SBendtrans-131.4-168.3177.7-88.7-78.7000110.1V250 N253 S254 L255 A273 D274 L278 E298 N299V250-N276 PolarHBondContact O-ND2 2.97Å; N253-N276 WeakPolarHBondContact CA-OD1 3.38Å; N253-N276 WeakPolarHBondContact CB-OD1 3.32Å; N253-N276 PolarHBondContact N-OD1 2.79Å; N253-N276 PolarHBondContact O-OD1 3.43Å; S254-N276 PolarHBondContact N-OD1 3.01Å; L255-N276 HydrophobicContact CB-CB 4.33Å; L255-N276 VanDerWaalsContact CB-OD1 3.26Å; L255-N276 WeakPolarHBondContact CB-OD1 3.45Å; L255-N276 WeakPolarHBondContact CG-OD1 3.22Å; L255-N276 PolarHBondContact N-OD1 3.24Å; A273-N276 PolarHBondContact O-ND2 3.16Å; D274-N276 PolarHBondContact O-N 2.93Å; D274-N276 PolarHBondContact O-ND2 3.46Å; N276-L278 HydrophobicContact CB-CG 4.16Å; N276-E298 PolarHBondContact N-O 3.11Å; N276-N299 WeakPolarHBondContact CA-OD1 3.37Å; N276-N299 WeakPolarHBondContact CB-OD1 3.41Å; N276-N299 PolarHBondContact O-OD1 3Å
277K98.5Very high98.4Very high90 Ų9035 Ų3539%0.39118%0.182SC..  trans-114.326.3178.2-60.5175.1-174.21600111.8S254 L255 T279 N299S254-K277 PolarHBondContact OG-NZ 2.7Å; L255-K277 CarbonylContact O-C 3.55Å; L255-K277 VanDerWaalsContact O-CA 3.26Å; L255-K277 WeakPolarHBondContact O-CA 3.11Å; L255-K277 WeakPolarHBondContact O-CB 3.31Å; L255-K277 PolarHBondContact O-N 2.92Å; K277-T279 PolarHBondContact O-N 3.38Å; K277-N299 PolarHBondContact N-OD1 2.68Å
278L98.7Very high98.4Very high0 Ų031.1 Ų31.10%016%0.161CC..  trans-62.4125.2-174.9-61.3176.1000110.3L255 E256 I258 A273 N276 L296 N299 Q300 I301L255-L278 HydrophobicContact CB-CD2 3.99Å; L255-L278 PolarHBondContact O-N 3.16Å; L255-L278 VanDerWaalsContact O-N 3.11Å; E256-L278 WeakPolarHBondContact O-CA 3.35Å; I258-L278 HydrophobicContact CD1-CD1 4.03Å; I258-L278 HydrophobicContact CG1-CD1 4.13Å; I258-L278 HydrophobicContact CG1-CD2 3.95Å; A273-L278 HydrophobicContact CB-CD1 3.98Å; N276-L278 HydrophobicContact CB-CG 4.16Å; L278-L296 HydrophobicContact CD1-CD2 4.06Å; L278-N299 HydrophobicContact CB-CB 4.22Å; L278-N299 VanDerWaalsContact CB-OD1 3.24Å; L278-N299 WeakPolarHBondContact CB-OD1 3.03Å; L278-N299 VanDerWaalsContact CG-OD1 3.31Å; L278-N299 WeakPolarHBondContact CG-OD1 3.13Å; L278-N299 PolarHBondContact N-OD1 3.44Å; L278-Q300 CarbonylContact O-C 3.17Å; L278-Q300 VanDerWaalsContact O-CA 3.26Å; L278-Q300 WeakPolarHBondContact O-CA 3.35Å; L278-Q300 PolarHBondContact O-N 3.36Å; L278-I301 HydrophobicContact CB-CD1 4.41Å; L278-I301 HydrophobicContact CB-CG1 4.11Å; L278-I301 WeakPolarHBondContact O-CG1 3.42Å; L278-I301 PolarHBondContact O-N 3.05Å
279T97.3Very high98.3Very high56 Ų5636.7 Ų36.734%0.34419%0.187SC..  trans-97.4-25.4178.158.40000112.8E256 K277 Q300 I301 Q302E256-T279 PolarHBondContact O-N 2.63Å; K277-T279 PolarHBondContact O-N 3.38Å; T279-Q300 HydrophobicContact CG2-CB 4.43Å; T279-I301 WeakPolarHBondContact O-CA 3.26Å; T279-Q302 PolarHBondContact O-N 3.22Å
280L97.4Very high98.3Very high87 Ų8736.3 Ų36.346%0.45519%0.185SC..  trans-152.5158.4179.864.597.2000110.4
281L98.3Very high98.3Very high8 Ų834.8 Ų34.84%0.04218%0.177CC..  trans-102.3143.5164.1-58.6173.7000109.2I258 I285 L294 L296 I301 L304 P305I258-L281 HydrophobicContact CD1-CD2 4.02Å; L281-I285 HydrophobicContact CB-CG2 4.47Å; L281-L294 HydrophobicContact CD1-CD2 4.47Å; L281-L296 HydrophobicContact CD1-CD1 3.5Å; L281-L296 VanDerWaalsContact CD1-CD1 3.5Å; L281-L296 HydrophobicContact CD2-CD1 3.99Å; L281-L296 HydrophobicContact CD2-CD2 3.9Å; L281-L296 HydrophobicContact CG-CD1 4.2Å; L281-I301 HydrophobicContact CD2-CD1 4.27Å; L281-I301 HydrophobicContact CG-CD1 4.3Å; L281-L304 HydrophobicContact CD1-CD2 3.96Å; L281-P305 HydrophobicContact CB-CG 3.97Å
282P98.2Very high98.3Very high3 Ų336.7 Ų36.72%0.01919%0.189CC..  trans-67.1148.8176.729.4-36.1000111.3I258 E260 I262 T284 I285I258-P282 HydrophobicContact CB-CG 4.35Å; I258-P282 HydrophobicContact CG2-CG 4.41Å; I258-P282 WeakPolarHBondContact O-CG 3.19Å; E260-P282 VanDerWaalsContact CD-CB 3.44Å; E260-P282 HydrophobicContact CG-CB 4.3Å; E260-P282 WeakPolarHBondContact OE1-CB 3.25Å; E260-P282 WeakPolarHBondContact OE2-CB 3.4Å; I262-P282 HydrophobicContact CG2-CG 3.74Å; P282-T284 PolarHBondContact O-N 2.97Å; P282-T284 VanDerWaalsContact O-N 3.16Å; P282-I285 WeakPolarHBondContact O-CB 3.4Å; P282-I285 WeakPolarHBondContact O-CG2 3.08Å; P282-I285 PolarHBondContact O-N 3.34Å
283E98.4Very high98.3Very high98 Ų9835 Ų3546%0.45818%0.182SC..G310 helixtrans-65.6-17.2176.3-80.4-68.7168.800112.6I285 P305 A306 S307E283-I285 VanDerWaalsContact C-N 3.26Å; E283-I285 PolarHBondContact O-N 3.17Å; E283-P305 HydrophobicContact CG-CB 4.18Å; E283-P305 WeakPolarHBondContact OE1-CA 3.13Å; E283-P305 VanDerWaalsContact OE1-CB 3.27Å; E283-P305 WeakPolarHBondContact OE1-CB 3.3Å; E283-A306 PolarHBondContact OE1-N 3.46Å; E283-S307 WeakPolarHBondContact CA-OG 3.5Å; E283-S307 WeakPolarHBondContact O-CB 3.38Å; E283-S307 PolarHBondContact O-OG 3.37Å; E283-S307 WeakPolarHBondContact OE2-CB 3.4Å; E283-S307 PolarHBondContact OE2-N 3.28Å; E283-S307 PolarHBondContact OE2-OG 2.93Å
284T98.7Very high98.3Very high31 Ų3135 Ų3519%0.1918%0.182CC..G310 helixtrans-73-13.4173.5490000113.6E260 G263 P282 G286 N287E260-T284 WeakPolarHBondContact CA-OG1 3.49Å; E260-T284 HydrophobicContact CB-CG2 4.49Å; E260-T284 WeakPolarHBondContact O-CB 3.36Å; E260-T284 PolarHBondContact O-OG1 2.88Å; E260-T284 VanDerWaalsContact OE2-CB 3.26Å; E260-T284 WeakPolarHBondContact OE2-CB 3.31Å; E260-T284 WeakPolarHBondContact OE2-CG2 3.29Å; E260-T284 PolarHBondContact OE2-OG1 2.95Å; G263-T284 WeakPolarHBondContact CA-O 3.21Å; P282-T284 PolarHBondContact O-N 2.97Å; P282-T284 VanDerWaalsContact O-N 3.16Å; T284-G286 PolarHBondContact O-N 2.91Å; T284-N287 VanDerWaalsContact O-CB 3.22Å; T284-N287 WeakPolarHBondContact O-CB 3.48Å; T284-N287 PolarHBondContact O-N 3.49Å
285I98.6Very high98.3Very high0 Ų034.7 Ų34.70%018%0.181CC..G310 helixtrans-56.7-36.6177-166.762000111.8I262 L271 L281 P282 E283 N287 C288 P305I262-I285 HydrophobicContact CG1-CD1 4.04Å; I262-I285 HydrophobicContact CG2-CD1 4.24Å; L271-I285 HydrophobicContact CD2-CD1 3.87Å; L281-I285 HydrophobicContact CB-CG2 4.47Å; P282-I285 WeakPolarHBondContact O-CB 3.4Å; P282-I285 WeakPolarHBondContact O-CG2 3.08Å; P282-I285 PolarHBondContact O-N 3.34Å; E283-I285 VanDerWaalsContact C-N 3.26Å; E283-I285 PolarHBondContact O-N 3.17Å; I285-N287 PolarHBondContact O-N 3.49Å; I285-C288 WeakPolarHBondContact O-CB 3.32Å; I285-C288 PolarHBondContact O-N 2.94Å; I285-C288 PolarHBondContact O-SG 2.79Å; I285-C288 VanDerWaalsContact O-SG 3.37Å; I285-P305 HydrophobicContact CG2-CG 3.76Å
286G98.3Very high98.3Very high2 Ų231.7 Ų31.72%0.02117%0.165CC..G310 helixtrans-66.5-3.5176.900000114.9T284 S307 K310T284-G286 PolarHBondContact O-N 2.91Å; G286-S307 WeakPolarHBondContact CA-O 3.12Å; G286-K310 VanDerWaalsContact O-CB 3.27Å; G286-K310 WeakPolarHBondContact O-CB 3.31Å
287N98.7Very high98.3Very high51 Ų5132.3 Ų32.327%0.27317%0.169SC..G310 helixtrans-88.5-7.4171.6-62.1-24.5000112.6G263 K266 T284 I285 E289G263-N287 VanDerWaalsContact O-CB 3.28Å; G263-N287 WeakPolarHBondContact O-CB 3.2Å; K266-N287 WeakPolarHBondContact CD-O 3.39Å; K266-N287 WeakPolarHBondContact CE-O 3.15Å; K266-N287 PolarHBondContact NZ-O 3.21Å; T284-N287 VanDerWaalsContact O-CB 3.22Å; T284-N287 WeakPolarHBondContact O-CB 3.48Å; T284-N287 PolarHBondContact O-N 3.49Å; I285-N287 PolarHBondContact O-N 3.49Å; N287-E289 PolarHBondContact O-N 3.4Å
288C98.4Very high98.3Very high0 Ų031.1 Ų31.10%017%0.165CC..  trans-77.671.6174.2-53.30000109.8I262 I285 S290 L291 L311I262-C288 PolarHBondContact O-SG 3.42Å; I262-C288 VanDerWaalsContact O-SG 3.35Å; I285-C288 WeakPolarHBondContact O-CB 3.32Å; I285-C288 PolarHBondContact O-N 2.94Å; I285-C288 PolarHBondContact O-SG 2.79Å; I285-C288 VanDerWaalsContact O-SG 3.37Å; C288-S290 PolarHBondContact O-N 2.82Å; C288-L291 HydrophobicContact CB-CB 4.13Å; C288-L291 VanDerWaalsContact O-CB 3.27Å; C288-L291 WeakPolarHBondContact O-CB 3.32Å; C288-L291 PolarHBondContact O-N 2.75Å; C288-L311 HydrophobicContact CB-CD2 4.44Å; C288-L311 WeakPolarHBondContact O-CD2 3.41Å
289E95.6Very high98.3Very high117 Ų11731.6 Ų31.655%0.54717%0.168SC..THydrogen-bonded Turntrans-60.9-21.5-168.5-70.1162.2-13900114.4K266 N287 R313K266-E289 IonicContact NZ-OE1 3.66Å; K266-E289 PolarHBondContact NZ-OE1 3.23Å; N287-E289 PolarHBondContact O-N 3.4Å; E289-R313 WeakPolarHBondContact O-CD 3.46Å
290S98.3Very high98.3Very high26 Ų2633 Ų3318%0.18217%0.17CC..THydrogen-bonded Turntrans-88.5-4.3177.5-57.80000114.2K266 L268 C288 T292K266-S290 VanDerWaalsContact O-CB 3.23Å; K266-S290 WeakPolarHBondContact O-CB 3.32Å; K266-S290 PolarHBondContact O-OG 3.24Å; L268-S290 CarbonylContact O-C 3.24Å; C288-S290 PolarHBondContact O-N 2.82Å; S290-T292 WeakPolarHBondContact O-CG2 3.1Å; S290-T292 PolarHBondContact O-N 3.12Å
291L98.8Very high98.4Very high0 Ų029 Ų290%015%0.149CC..  trans-64.2122.6-171.9-159.773.6000110.7L268 S269 L271 C288 L294 L311 R313 L314L268-L291 HydrophobicContact CD2-CD1 4.02Å; L268-L291 HydrophobicContact CG-CD1 3.9Å; L268-L291 WeakPolarHBondContact O-CA 3.44Å; L268-L291 PolarHBondContact O-N 2.76Å; S269-L291 WeakPolarHBondContact O-CD1 3.03Å; L271-L291 HydrophobicContact CB-CD1 3.98Å; C288-L291 HydrophobicContact CB-CB 4.13Å; C288-L291 VanDerWaalsContact O-CB 3.27Å; C288-L291 WeakPolarHBondContact O-CB 3.32Å; C288-L291 PolarHBondContact O-N 2.75Å; L291-L294 HydrophobicContact CD2-CB 4Å; L291-L294 HydrophobicContact CD2-CD1 4.43Å; L291-L294 HydrophobicContact CD2-CD2 4.18Å; L291-L294 HydrophobicContact CD2-CG 4.44Å; L291-L311 HydrophobicContact CB-CD2 4.29Å; L291-L311 HydrophobicContact CD2-CD1 3.9Å; L291-R313 CarbonylContact O-C 3.55Å; L291-L314 HydrophobicContact CD2-CD1 4.3Å; L291-L314 HydrophobicContact CG-CD1 4.31Å; L291-L314 WeakPolarHBondContact O-CA 3.46Å; L291-L314 PolarHBondContact O-N 2.63Å
292T98.7Very high98.3Very high41 Ų4134.1 Ų34.125%0.25217%0.173SC..  trans-111.4-32.3-179.762.50000112S269 S290 R313 S315 N316S269-T292 PolarHBondContact O-N 2.7Å; S269-T292 PolarHBondContact O-OG1 2.97Å; S269-T292 PolarHBondContact OG-OG1 3.18Å; S290-T292 WeakPolarHBondContact O-CG2 3.1Å; S290-T292 PolarHBondContact O-N 3.12Å; T292-R313 WeakPolarHBondContact CA-O 3.44Å; T292-R313 HydrophobicContact CG2-CB 4.45Å; T292-S315 PolarHBondContact O-N 3.36Å; T292-N316 PolarHBondContact O-N 3.2Å
293E98.7Very high98.2Very high27 Ų2737 Ų3713%0.12619%0.19CC..EExtended strand (participates in β ladder)trans-130.1125.1179.6-175.6176.8-175.500110.7S269 I270 L271 K272 V295 N316S269-E293 PolarHBondContact O-N 2.97Å; I270-E293 HydrophobicContact CG1-CB 4.28Å; I270-E293 HydrophobicContact CG2-CB 4.39Å; L271-E293 PolarHBondContact N-O 3.09Å; K272-E293 VanDerWaalsContact CE-OE1 3.25Å; K272-E293 WeakPolarHBondContact CE-OE1 3.33Å; K272-E293 IonicContact NZ-OE1 3.81Å; K272-E293 PolarHBondContact NZ-OE1 3.47Å; K272-E293 IonicContact NZ-OE2 3.85Å; E293-V295 HydrophobicContact CG-CG2 3.91Å; E293-N316 WeakPolarHBondContact CA-O 3.14Å; E293-N316 HydrophobicContact CG-CB 4.25Å
294L98.8Very high98.2Very high0 Ų032.6 Ų32.60%017%0.17CC..EExtended strand (participates in β ladder)trans-129.5110.6174.4179.455000109.9L271 L281 L291 L296 I308 L314 N316 L317 N318L271-L294 HydrophobicContact CB-CD1 3.97Å; L271-L294 HydrophobicContact CD2-CD1 3.76Å; L271-L294 HydrophobicContact CG-CD1 3.84Å; L271-L294 WeakPolarHBondContact O-CA 3.13Å; L281-L294 HydrophobicContact CD1-CD2 4.47Å; L291-L294 HydrophobicContact CD2-CB 4Å; L291-L294 HydrophobicContact CD2-CD1 4.43Å; L291-L294 HydrophobicContact CD2-CD2 4.18Å; L291-L294 HydrophobicContact CD2-CG 4.44Å; L294-L296 HydrophobicContact CD1-CD1 4.05Å; L294-L296 HydrophobicContact CD1-CD2 4Å; L294-L296 HydrophobicContact CD1-CG 3.9Å; L294-L296 HydrophobicContact CD2-CD1 3.97Å; L294-L296 HydrophobicContact CG-CD1 3.82Å; L294-L296 HydrophobicContact CG-CG 3.99Å; L294-I308 HydrophobicContact CD2-CD1 3.98Å; L294-L314 HydrophobicContact CB-CD1 3.82Å; L294-N316 PolarHBondContact N-O 2.87Å; L294-L317 HydrophobicContact CB-CD1 3.91Å; L294-L317 HydrophobicContact CD2-CD1 3.78Å; L294-L317 HydrophobicContact CG-CD1 3.84Å; L294-N318 PolarHBondContact O-N 3.47Å
295V98.7Very high98.2Very high17 Ų1731.5 Ų31.510%0.10316%0.164CC..EExtended strand (participates in β ladder)trans-113.1119.7-179.2-175.50000109.9L271 K272 A273 D274 E293 N318L271-V295 PolarHBondContact O-N 2.99Å; K272-V295 HydrophobicContact CB-CB 4.42Å; K272-V295 HydrophobicContact CG-CB 4.19Å; K272-V295 HydrophobicContact CG-CG2 4.21Å; A273-V295 CarbonylContact C-O 3.31Å; A273-V295 PolarHBondContact N-O 2.86Å; D274-V295 HydrophobicContact CB-CG1 4.08Å; D274-V295 PolarHBondContact N-O 3.08Å; E293-V295 HydrophobicContact CG-CG2 3.91Å; V295-N318 HydrophobicContact CG1-CB 4.31Å
296L98.6Very high98.2Very high0 Ų033.5 Ų33.50%018%0.18CC..  trans-132.717.5-173-61.9169.6000112.1A273 L278 L281 L294 N299 I301 N318 N322A273-L296 HydrophobicContact CB-CD2 4.13Å; L278-L296 HydrophobicContact CD1-CD2 4.06Å; L281-L296 HydrophobicContact CD1-CD1 3.5Å; L281-L296 VanDerWaalsContact CD1-CD1 3.5Å; L281-L296 HydrophobicContact CD2-CD1 3.99Å; L281-L296 HydrophobicContact CD2-CD2 3.9Å; L281-L296 HydrophobicContact CG-CD1 4.2Å; L294-L296 HydrophobicContact CD1-CD1 4.05Å; L294-L296 HydrophobicContact CD1-CD2 4Å; L294-L296 HydrophobicContact CD1-CG 3.9Å; L294-L296 HydrophobicContact CD2-CD1 3.97Å; L294-L296 HydrophobicContact CG-CD1 3.82Å; L294-L296 HydrophobicContact CG-CG 3.99Å; L296-N299 PolarHBondContact O-ND2 2.94Å; L296-I301 HydrophobicContact CB-CD1 4Å; L296-I301 HydrophobicContact CD1-CD1 3.95Å; L296-I301 HydrophobicContact CD2-CD1 4.32Å; L296-I301 HydrophobicContact CG-CD1 4.33Å; L296-N318 WeakPolarHBondContact CA-O 3.12Å; L296-N318 WeakPolarHBondContact CB-O 3.22Å; L296-N318 PolarHBondContact N-O 3.48Å; L296-N322 PolarHBondContact O-ND2 3.47Å
297T98.3Very high98.2Very high25 Ų2533.6 Ų33.615%0.15318%0.181CC..  trans-53.1143.8-178.2-48.90000111.8D274 L275 N299 N318 D320D274-T297 CarbonylContact C-O 3.04Å; D274-T297 WeakPolarHBondContact CA-O 3.41Å; D274-T297 VanDerWaalsContact CB-O 3.29Å; D274-T297 WeakPolarHBondContact CB-O 3.37Å; L275-T297 PolarHBondContact N-O 3.42Å; T297-N299 PolarHBondContact O-ND2 2.82Å; T297-N318 PolarHBondContact OG1-ND2 3.37Å; T297-N318 PolarHBondContact OG1-OD1 2.86Å; T297-D320 CarbonylContact C-O 3.2Å; T297-D320 VanDerWaalsContact CA-O 3.28Å; T297-D320 WeakPolarHBondContact CA-O 3.25Å; T297-D320 HydrophobicContact CG2-CB 3.81Å
298E98.3Very high98.2Very high65 Ų6531.2 Ų31.230%0.30417%0.168SC..SBendtrans57.559.9175-63-90.8-162.500112.3L275 N276 D320 R321L275-E298 WeakPolarHBondContact CA-O 3.23Å; L275-E298 HydrophobicContact CD2-CB 3.53Å; L275-E298 HydrophobicContact CD2-CG 3.83Å; L275-E298 HydrophobicContact CG-CB 4Å; L275-E298 HydrophobicContact CG-CG 4.47Å; L275-E298 PolarHBondContact N-O 2.82Å; N276-E298 PolarHBondContact N-O 3.11Å; E298-D320 PolarHBondContact N-O 3.09Å; E298-R321 VanDerWaalsContact CA-O 3.26Å; E298-R321 WeakPolarHBondContact CA-O 3.45Å; E298-R321 HydrophobicContact CG-CB 4.05Å; E298-R321 PolarHBondContact N-O 3.42Å; E298-R321 WeakPolarHBondContact OE1-CD 3.39Å; E298-R321 IonicContact OE1-CZ 2.8Å; E298-R321 IonicContact OE1-NE 3.45Å; E298-R321 IonicContact OE1-NH1 3.93Å; E298-R321 PolarHBondContact OE1-NH1 3.27Å
299N98.7Very high98.2Very high10 Ų1031.5 Ų31.55%0.05317%0.171CC..SBendtrans-129.7-169.6173.3-87-79000109.7A273 N276 K277 L278 L296 T297 I301 R321 N322A273-N299 PolarHBondContact O-ND2 2.9Å; N276-N299 WeakPolarHBondContact CA-OD1 3.37Å; N276-N299 WeakPolarHBondContact CB-OD1 3.41Å; N276-N299 PolarHBondContact O-OD1 3Å; K277-N299 PolarHBondContact N-OD1 2.68Å; L278-N299 HydrophobicContact CB-CB 4.22Å; L278-N299 VanDerWaalsContact CB-OD1 3.24Å; L278-N299 WeakPolarHBondContact CB-OD1 3.03Å; L278-N299 VanDerWaalsContact CG-OD1 3.31Å; L278-N299 WeakPolarHBondContact CG-OD1 3.13Å; L278-N299 PolarHBondContact N-OD1 3.44Å; L296-N299 PolarHBondContact O-ND2 2.94Å; T297-N299 PolarHBondContact O-ND2 2.82Å; N299-I301 HydrophobicContact CB-CD1 4.27Å; N299-I301 HydrophobicContact CB-CG1 4.09Å; N299-R321 PolarHBondContact N-O 2.69Å; N299-N322 WeakPolarHBondContact CA-OD1 3.43Å; N299-N322 WeakPolarHBondContact CB-OD1 3.34Å; N299-N322 PolarHBondContact O-OD1 3.47Å
300Q98.4Very high98.3Very high86 Ų8631.5 Ų31.540%0.40217%0.169SC..  trans-116.325.1-178.3-59.8174.834.800112L278 T279 Q302 N322L278-Q300 CarbonylContact O-C 3.17Å; L278-Q300 VanDerWaalsContact O-CA 3.26Å; L278-Q300 WeakPolarHBondContact O-CA 3.35Å; L278-Q300 PolarHBondContact O-N 3.36Å; T279-Q300 HydrophobicContact CG2-CB 4.43Å; Q300-Q302 PolarHBondContact O-N 3.39Å; Q300-N322 PolarHBondContact N-OD1 3.36Å
301I98.4Very high98.3Very high1 Ų130.3 Ų30.31%0.00516%0.161CC..  trans-68.5125.6-171.6-58.5170.9000109.9L278 T279 L281 L296 N299 T303 L304 N322 N323 L324L278-I301 HydrophobicContact CB-CD1 4.41Å; L278-I301 HydrophobicContact CB-CG1 4.11Å; L278-I301 WeakPolarHBondContact O-CG1 3.42Å; L278-I301 PolarHBondContact O-N 3.05Å; T279-I301 WeakPolarHBondContact O-CA 3.26Å; L281-I301 HydrophobicContact CD2-CD1 4.27Å; L281-I301 HydrophobicContact CG-CD1 4.3Å; L296-I301 HydrophobicContact CB-CD1 4Å; L296-I301 HydrophobicContact CD1-CD1 3.95Å; L296-I301 HydrophobicContact CD2-CD1 4.32Å; L296-I301 HydrophobicContact CG-CD1 4.33Å; N299-I301 HydrophobicContact CB-CD1 4.27Å; N299-I301 HydrophobicContact CB-CG1 4.09Å; I301-T303 WeakPolarHBondContact CG2-O 3.38Å; I301-L304 HydrophobicContact CG2-CD2 4.43Å; I301-N322 HydrophobicContact CB-CB 4.48Å; I301-N322 VanDerWaalsContact CB-OD1 3.24Å; I301-N322 WeakPolarHBondContact CB-OD1 3.39Å; I301-N322 WeakPolarHBondContact CG1-OD1 3.49Å; I301-N322 PolarHBondContact N-OD1 3.24Å; I301-N323 CarbonylContact O-C 3.14Å; I301-N323 VanDerWaalsContact O-CA 3.29Å; I301-N323 WeakPolarHBondContact O-CA 3.48Å; I301-N323 PolarHBondContact O-N 3Å; I301-L324 HydrophobicContact CB-CD2 4.42Å; I301-L324 HydrophobicContact CG2-CD2 3.82Å; I301-L324 PolarHBondContact O-N 2.95Å; I301-L324 VanDerWaalsContact O-N 3.09Å
302Q96.8Very high98.3Very high117 Ų11735.4 Ų35.455%0.54718%0.183SC..  trans-92.7-29.9-178.2-6317923.400113.6T279 Q300 N323 L324 T325T279-Q302 PolarHBondContact O-N 3.22Å; Q300-Q302 PolarHBondContact O-N 3.39Å; Q302-N323 HydrophobicContact CG-CB 4.25Å; Q302-L324 WeakPolarHBondContact O-CA 3.44Å; Q302-T325 PolarHBondContact O-N 2.85Å
303T97.1Very high98.3Very high62 Ų6241 Ų4138%0.3820%0.199SC..BIsolated β-bridgetrans-150.8144.3-178.857.90000110.3I301 L326I301-T303 WeakPolarHBondContact CG2-O 3.38Å; T303-L326 HydrophobicContact CG2-CD1 4.33Å; T303-L326 HydrophobicContact CG2-CD2 4.32Å; T303-L326 HydrophobicContact CG2-CG 4.15Å
304L98.4Very high98.2Very high6 Ų639.7 Ų39.73%0.03119%0.193CC..  trans-85142.6166.4-61.1176.1000110L281 I301 L317 L324 L327 P328L281-L304 HydrophobicContact CD1-CD2 3.96Å; I301-L304 HydrophobicContact CG2-CD2 4.43Å; L304-L317 HydrophobicContact CD1-CD2 4.31Å; L304-L324 HydrophobicContact CD2-CD2 4.43Å; L304-L324 HydrophobicContact CG-CD2 4.12Å; L304-L327 HydrophobicContact CD1-CD2 4.14Å; L304-P328 HydrophobicContact CB-CG 4.02Å
305P98.3Very high98.2Very high9 Ų942 Ų426%0.05821%0.209CC..  trans-67.8153.1179.827.9-34.9000111.6L281 E283 I285 S307 I308L281-P305 HydrophobicContact CB-CG 3.97Å; E283-P305 HydrophobicContact CG-CB 4.18Å; E283-P305 WeakPolarHBondContact OE1-CA 3.13Å; E283-P305 VanDerWaalsContact OE1-CB 3.27Å; E283-P305 WeakPolarHBondContact OE1-CB 3.3Å; I285-P305 HydrophobicContact CG2-CG 3.76Å; P305-S307 PolarHBondContact O-N 3.34Å; P305-I308 WeakPolarHBondContact O-CB 3.46Å; P305-I308 VanDerWaalsContact O-CG2 3.26Å; P305-I308 WeakPolarHBondContact O-CG2 3.48Å; P305-I308 PolarHBondContact O-N 3.33Å; P305-I308 VanDerWaalsContact O-N 3.14Å
306A98.4Very high98.2Very high42 Ų4242.5 Ų42.535%0.34721%0.211SC..G310 helixtrans-65.8-28.7-179.100000111.9E283 I308 G309 Q330E283-A306 PolarHBondContact OE1-N 3.46Å; A306-I308 PolarHBondContact O-N 3.44Å; A306-G309 PolarHBondContact O-N 2.95Å; A306-Q330 HydrophobicContact CB-CG 4.2Å; A306-Q330 WeakPolarHBondContact O-CB 3.45Å; A306-Q330 WeakPolarHBondContact O-CG 3.33Å
307S98.6Very high98.2Very high4 Ų442.5 Ų42.53%0.02821%0.211CC..G310 helixtrans-61.2-16.4174.455.50000114.9E283 G286 P305 G309 K310E283-S307 WeakPolarHBondContact CA-OG 3.5Å; E283-S307 WeakPolarHBondContact O-CB 3.38Å; E283-S307 PolarHBondContact O-OG 3.37Å; E283-S307 WeakPolarHBondContact OE2-CB 3.4Å; E283-S307 PolarHBondContact OE2-N 3.28Å; E283-S307 PolarHBondContact OE2-OG 2.93Å; G286-S307 WeakPolarHBondContact CA-O 3.12Å; P305-S307 PolarHBondContact O-N 3.34Å; S307-G309 PolarHBondContact O-N 3.27Å; S307-G309 VanDerWaalsContact O-N 3.1Å; S307-K310 VanDerWaalsContact O-CB 3.23Å; S307-K310 WeakPolarHBondContact O-CB 3.31Å; S307-K310 WeakPolarHBondContact O-CG 3.46Å; S307-K310 PolarHBondContact O-N 3.09Å
308I98.3Very high98.2Very high0 Ų041.9 Ų41.90%021%0.207CC..G310 helixtrans-53.7-35.7177.4-160.476.1000111.5L294 P305 A306 K310 L311 P328 I331 C334L294-I308 HydrophobicContact CD2-CD1 3.98Å; P305-I308 WeakPolarHBondContact O-CB 3.46Å; P305-I308 VanDerWaalsContact O-CG2 3.26Å; P305-I308 WeakPolarHBondContact O-CG2 3.48Å; P305-I308 PolarHBondContact O-N 3.33Å; P305-I308 VanDerWaalsContact O-N 3.14Å; A306-I308 PolarHBondContact O-N 3.44Å; I308-K310 PolarHBondContact O-N 3.27Å; I308-L311 HydrophobicContact CD1-CD1 3.61Å; I308-L311 HydrophobicContact CG1-CD1 4.32Å; I308-L311 WeakPolarHBondContact O-CB 3.42Å; I308-L311 WeakPolarHBondContact O-CG 3.45Å; I308-L311 PolarHBondContact O-N 3.48Å; I308-P328 HydrophobicContact CG2-CG 3.9Å; I308-I331 HydrophobicContact CG1-CD1 4.29Å; I308-I331 HydrophobicContact CG2-CD1 3.87Å; I308-C334 PolarHBondContact O-SG 2.92Å
309G98Very high98.2Very high7 Ų738.9 Ų38.97%0.07219%0.193CC..G310 helixtrans-63.6-8.4177.300000116A306 S307 K312 Q330 G333A306-G309 PolarHBondContact O-N 2.95Å; S307-G309 PolarHBondContact O-N 3.27Å; S307-G309 VanDerWaalsContact O-N 3.1Å; G309-K312 PolarHBondContact O-NZ 3.48Å; G309-Q330 WeakPolarHBondContact CA-O 3.49Å; G309-G333 CarbonylContact O-C 3.19Å; G309-G333 VanDerWaalsContact O-C 3.24Å; G309-G333 WeakPolarHBondContact O-CA 3.21Å
310K98.5Very high98.2Very high117 Ų11738.5 Ų38.551%0.50919%0.191SC..G310 helixtrans-81.5-19.6173.2-63178-179174.30112.4G286 S307 I308 K312G286-K310 VanDerWaalsContact O-CB 3.27Å; G286-K310 WeakPolarHBondContact O-CB 3.31Å; S307-K310 VanDerWaalsContact O-CB 3.23Å; S307-K310 WeakPolarHBondContact O-CB 3.31Å; S307-K310 WeakPolarHBondContact O-CG 3.46Å; S307-K310 PolarHBondContact O-N 3.09Å; I308-K310 PolarHBondContact O-N 3.27Å; K310-K312 VanDerWaalsContact C-N 3.28Å; K310-K312 PolarHBondContact O-N 2.87Å
311L98.4Very high98.2Very high0 Ų037.6 Ų37.60%018%0.184CC..  trans-76.477.3-177.2-57.5179.3000110.8C288 L291 I308 R313 L314C288-L311 HydrophobicContact CB-CD2 4.44Å; C288-L311 WeakPolarHBondContact O-CD2 3.41Å; L291-L311 HydrophobicContact CB-CD2 4.29Å; L291-L311 HydrophobicContact CD2-CD1 3.9Å; I308-L311 HydrophobicContact CD1-CD1 3.61Å; I308-L311 HydrophobicContact CG1-CD1 4.32Å; I308-L311 WeakPolarHBondContact O-CB 3.42Å; I308-L311 WeakPolarHBondContact O-CG 3.45Å; I308-L311 PolarHBondContact O-N 3.48Å; L311-R313 VanDerWaalsContact C-N 3.25Å; L311-R313 PolarHBondContact O-N 2.87Å; L311-L314 HydrophobicContact CB-CB 3.81Å; L311-L314 HydrophobicContact CB-CD2 4.36Å; L311-L314 HydrophobicContact CD1-CD2 4.1Å; L311-L314 WeakPolarHBondContact O-CB 3.4Å; L311-L314 PolarHBondContact O-N 3.03Å
312K97.7Very high98.2Very high107 Ų10737.7 Ų37.747%0.46519%0.185SC..THydrogen-bonded Turntrans-68.4-23.8-174.5-57.7-47.5-170.6-171.10113.8G309 K310 G333 G336G309-K312 PolarHBondContact O-NZ 3.48Å; K310-K312 VanDerWaalsContact C-N 3.28Å; K310-K312 PolarHBondContact O-N 2.87Å; K312-G333 WeakPolarHBondContact CD-O 3.34Å; K312-G333 WeakPolarHBondContact CE-O 3.31Å; K312-G333 PolarHBondContact NZ-O 2.87Å; K312-G336 WeakPolarHBondContact O-CA 3.15Å; K312-G336 PolarHBondContact O-N 3.03Å; K312-G336 VanDerWaalsContact O-N 3.13Å
313R98.2Very high98.3Very high158 Ų15834.8 Ų34.860%0.59617%0.173SC*.THydrogen-bonded Turntrans-93-5.2179.3-59-17578.8172.72.9113.4E289 L291 T292 L311 S315E289-R313 WeakPolarHBondContact O-CD 3.46Å; L291-R313 CarbonylContact O-C 3.55Å; T292-R313 WeakPolarHBondContact CA-O 3.44Å; T292-R313 HydrophobicContact CG2-CB 4.45Å; L311-R313 VanDerWaalsContact C-N 3.25Å; L311-R313 PolarHBondContact O-N 2.87Å; R313-S315 PolarHBondContact O-N 2.84Å; R313-S315 VanDerWaalsContact O-N 3.1Å
314L98.6Very high98.3Very high0 Ų031.8 Ų31.80%016%0.155CC..  trans-64.9114.7-179.1-174.168.8000108.7L291 L294 L311 L317 G336 L337L291-L314 HydrophobicContact CD2-CD1 4.3Å; L291-L314 HydrophobicContact CG-CD1 4.31Å; L291-L314 WeakPolarHBondContact O-CA 3.46Å; L291-L314 PolarHBondContact O-N 2.63Å; L294-L314 HydrophobicContact CB-CD1 3.82Å; L311-L314 HydrophobicContact CB-CB 3.81Å; L311-L314 HydrophobicContact CB-CD2 4.36Å; L311-L314 HydrophobicContact CD1-CD2 4.1Å; L311-L314 WeakPolarHBondContact O-CB 3.4Å; L311-L314 PolarHBondContact O-N 3.03Å; L314-L317 HydrophobicContact CD2-CB 4.03Å; L314-L317 HydrophobicContact CD2-CD1 4.35Å; L314-L317 HydrophobicContact CD2-CD2 4.2Å; L314-L317 HydrophobicContact CD2-CG 4.43Å; L314-G336 CarbonylContact O-C 3.59Å; L314-L337 HydrophobicContact CD2-CD1 4.45Å; L314-L337 HydrophobicContact CG-CD1 4.34Å; L314-L337 WeakPolarHBondContact O-CA 2.9Å; L314-L337 PolarHBondContact O-N 2.96Å
315S98.3Very high98.2Very high49 Ų4935.1 Ų35.134%0.34318%0.175SC..  trans-101.6-39.9-177.7179.30000111.1T292 R313 G336 N338 V339T292-S315 PolarHBondContact O-N 3.36Å; R313-S315 PolarHBondContact O-N 2.84Å; R313-S315 VanDerWaalsContact O-N 3.1Å; S315-G336 WeakPolarHBondContact CA-O 3.45Å; S315-N338 WeakPolarHBondContact O-CA 3.49Å; S315-N338 PolarHBondContact O-N 2.97Å; S315-V339 PolarHBondContact O-N 3.01Å
316N98.6Very high98.2Very high27 Ų2739 Ų3914%0.14420%0.195CC..EExtended strand (participates in β ladder)trans-121.2118.5179.7-173.75.2000110.5T292 E293 L294T292-N316 PolarHBondContact O-N 3.2Å; E293-N316 WeakPolarHBondContact CA-O 3.14Å; E293-N316 HydrophobicContact CG-CB 4.25Å; L294-N316 PolarHBondContact N-O 2.87Å
317L98.7Very high98.2Very high0 Ų037.5 Ų37.50%018%0.181CC..EExtended strand (participates in β ladder)trans-121.3113.8171.8-179.957.3000109.6L294 L304 L314 C319 I331 L337 V339 F340 T341L294-L317 HydrophobicContact CB-CD1 3.91Å; L294-L317 HydrophobicContact CD2-CD1 3.78Å; L294-L317 HydrophobicContact CG-CD1 3.84Å; L304-L317 HydrophobicContact CD1-CD2 4.31Å; L314-L317 HydrophobicContact CD2-CB 4.03Å; L314-L317 HydrophobicContact CD2-CD1 4.35Å; L314-L317 HydrophobicContact CD2-CD2 4.2Å; L314-L317 HydrophobicContact CD2-CG 4.43Å; L317-C319 VanDerWaalsContact CD1-SG 3.58Å; L317-I331 HydrophobicContact CD2-CD1 3.89Å; L317-L337 HydrophobicContact CB-CD1 3.71Å; L317-V339 PolarHBondContact N-O 3.01Å; L317-F340 HydrophobicContact CB-CD2 3.9Å; L317-F340 HydrophobicContact CB-CE2 4.41Å; L317-F340 HydrophobicContact CD2-CD2 3.81Å; L317-F340 HydrophobicContact CD2-CE2 3.53Å; L317-F340 HydrophobicContact CD2-CZ 4.37Å; L317-F340 HydrophobicContact CG-CD2 3.84Å; L317-F340 HydrophobicContact CG-CE2 3.84Å; L317-F340 WeakPolarHBondContact O-CA 3.34Å; L317-T341 PolarHBondContact O-N 2.97Å
318N98.6Very high98.2Very high13 Ų1337.9 Ų37.97%0.0718%0.183CC..EExtended strand (participates in β ladder)trans-113.7116.1174.7-173.2-27000110.3L294 V295 L296 T297 D320 T341L294-N318 PolarHBondContact O-N 3.47Å; V295-N318 HydrophobicContact CG1-CB 4.31Å; L296-N318 WeakPolarHBondContact CA-O 3.12Å; L296-N318 WeakPolarHBondContact CB-O 3.22Å; L296-N318 PolarHBondContact N-O 3.48Å; T297-N318 PolarHBondContact OG1-ND2 3.37Å; T297-N318 PolarHBondContact OG1-OD1 2.86Å; N318-D320 WeakPolarHBondContact OD1-CB 3.44Å; N318-D320 PolarHBondContact OD1-N 2.79Å; N318-T341 HydrophobicContact CB-CG2 3.59Å; N318-T341 WeakPolarHBondContact ND2-CG2 3.42Å; N318-T341 WeakPolarHBondContact OD1-CG2 3.45Å
319C98.1Very high98.1Very high1 Ų143.8 Ų43.81%0.00721%0.209CC..  trans-128.734.1174.3-54.60000111.3L317 N322 L324 T341 V342 N345L317-C319 VanDerWaalsContact CD1-SG 3.58Å; C319-N322 PolarHBondContact O-ND2 2.89Å; C319-L324 HydrophobicContact CB-CD1 3.9Å; C319-T341 PolarHBondContact N-O 3.19Å; C319-V342 HydrophobicContact CB-CG1 4.14Å; C319-N345 PolarHBondContact O-ND2 3.38Å
320D98.3Very high98.2Very high3 Ų348 Ų482%0.01623%0.227CC..  trans-58.4152176.4-75.23.5000111.9T297 E298 N318 N322 T341 V342 R343T297-D320 CarbonylContact C-O 3.2Å; T297-D320 VanDerWaalsContact CA-O 3.28Å; T297-D320 WeakPolarHBondContact CA-O 3.25Å; T297-D320 HydrophobicContact CG2-CB 3.81Å; E298-D320 PolarHBondContact N-O 3.09Å; N318-D320 WeakPolarHBondContact OD1-CB 3.44Å; N318-D320 PolarHBondContact OD1-N 2.79Å; D320-N322 PolarHBondContact O-N 3Å; D320-N322 PolarHBondContact O-ND2 2.9Å; D320-T341 VanDerWaalsContact CG-OG1 3.28Å; D320-T341 VanDerWaalsContact OD1-CB 3.31Å; D320-T341 WeakPolarHBondContact OD1-CB 3.47Å; D320-T341 WeakPolarHBondContact OD1-CG2 3.34Å; D320-T341 PolarHBondContact OD1-OG1 3Å; D320-T341 PolarHBondContact OD2-OG1 2.94Å; D320-V342 PolarHBondContact OD1-N 3.5Å; D320-R343 CarbonylContact C-O 3.57Å; D320-R343 WeakPolarHBondContact CA-O 3.34Å; D320-R343 HydrophobicContact CB-CB 4.39Å; D320-R343 WeakPolarHBondContact OD1-CB 3.39Å; D320-R343 PolarHBondContact OD1-N 3.02Å; D320-R343 IonicContact OD2-NE 2.78Å
321R97.9Very high98.2Very high66 Ų6642.5 Ų42.525%0.24920%0.203CC..SBendtrans5060.2173.2-63.7-179.3179.3168.84.8111.7E298 N299 R343 D344 N452E298-R321 VanDerWaalsContact CA-O 3.26Å; E298-R321 WeakPolarHBondContact CA-O 3.45Å; E298-R321 HydrophobicContact CG-CB 4.05Å; E298-R321 PolarHBondContact N-O 3.42Å; E298-R321 WeakPolarHBondContact OE1-CD 3.39Å; E298-R321 IonicContact OE1-CZ 2.8Å; E298-R321 IonicContact OE1-NE 3.45Å; E298-R321 IonicContact OE1-NH1 3.93Å; E298-R321 PolarHBondContact OE1-NH1 3.27Å; N299-R321 PolarHBondContact N-O 2.69Å; R321-R343 PolarHBondContact N-O 2.97Å; R321-D344 WeakPolarHBondContact CA-O 3.3Å; R321-D344 HydrophobicContact CG-CB 3.74Å; R321-D344 IonicContact NE-OD2 3.35Å; R321-D344 PolarHBondContact NE-OD2 3.02Å; R321-N452 PolarHBondContact NH1-OD1 3.13Å
322N98.5Very high98.1Very high3 Ų342.6 Ų42.62%0.01620%0.204CC..SBendtrans-127.8-174.2176.7-91.1-87.1000109.6L296 N299 Q300 I301 C319 D320 L324 N345L296-N322 PolarHBondContact O-ND2 3.47Å; N299-N322 WeakPolarHBondContact CA-OD1 3.43Å; N299-N322 WeakPolarHBondContact CB-OD1 3.34Å; N299-N322 PolarHBondContact O-OD1 3.47Å; Q300-N322 PolarHBondContact N-OD1 3.36Å; I301-N322 HydrophobicContact CB-CB 4.48Å; I301-N322 VanDerWaalsContact CB-OD1 3.24Å; I301-N322 WeakPolarHBondContact CB-OD1 3.39Å; I301-N322 WeakPolarHBondContact CG1-OD1 3.49Å; I301-N322 PolarHBondContact N-OD1 3.24Å; C319-N322 PolarHBondContact O-ND2 2.89Å; D320-N322 PolarHBondContact O-N 3Å; D320-N322 PolarHBondContact O-ND2 2.9Å; N322-L324 HydrophobicContact CB-CG 4.25Å; N322-N345 WeakPolarHBondContact CA-OD1 3.47Å; N322-N345 WeakPolarHBondContact CB-OD1 3.34Å; N322-N345 PolarHBondContact N-OD1 2.94Å; N322-N345 PolarHBondContact O-OD1 3.36Å; N322-N345 VanDerWaalsContact O-OD1 3.06Å
323N98.1Very high98.1Very high56 Ų5638.2 Ų38.230%0.29919%0.189SC..  trans-103.426.2178.9-66.9-28.5000112.5I301 Q302 T325 Y346I301-N323 CarbonylContact O-C 3.14Å; I301-N323 VanDerWaalsContact O-CA 3.29Å; I301-N323 WeakPolarHBondContact O-CA 3.48Å; I301-N323 PolarHBondContact O-N 3Å; Q302-N323 HydrophobicContact CG-CB 4.25Å; N323-T325 PolarHBondContact O-N 2.96Å; N323-Y346 HydrophobicContact CB-CE2 4.46Å; N323-Y346 WeakPolarHBondContact OD1-CE2 3.29Å
324L98.3Very high98.1Very high0 Ų030.7 Ų30.70%016%0.161CC..  trans-64.4122.3-173.9-62.2171.6000110.6I301 Q302 L304 C319 N322 L327 V342 N345 Y346 L347I301-L324 HydrophobicContact CB-CD2 4.42Å; I301-L324 HydrophobicContact CG2-CD2 3.82Å; I301-L324 PolarHBondContact O-N 2.95Å; I301-L324 VanDerWaalsContact O-N 3.09Å; Q302-L324 WeakPolarHBondContact O-CA 3.44Å; L304-L324 HydrophobicContact CD2-CD2 4.43Å; L304-L324 HydrophobicContact CG-CD2 4.12Å; C319-L324 HydrophobicContact CB-CD1 3.9Å; N322-L324 HydrophobicContact CB-CG 4.25Å; L324-L327 HydrophobicContact CD1-CD2 4.26Å; L324-V342 HydrophobicContact CD1-CG1 4.04Å; L324-N345 HydrophobicContact CB-CB 4.13Å; L324-N345 WeakPolarHBondContact CB-OD1 3.11Å; L324-N345 VanDerWaalsContact CG-OD1 3.25Å; L324-N345 WeakPolarHBondContact CG-OD1 3.09Å; L324-N345 PolarHBondContact N-OD1 3.25Å; L324-Y346 CarbonylContact O-C 3.24Å; L324-Y346 VanDerWaalsContact O-CA 3.25Å; L324-Y346 WeakPolarHBondContact O-CA 3.32Å; L324-Y346 WeakPolarHBondContact O-CB 3.39Å; L324-Y346 PolarHBondContact O-N 2.7Å; L324-L347 HydrophobicContact CB-CD2 3.94Å; L324-L347 HydrophobicContact CB-CG 4.49Å; L324-L347 PolarHBondContact O-N 2.82Å
325T96.8Very high97.9Very high75 Ų7533 Ų3346%0.4618%0.177SC..  trans-99.5-23.7176.558.60000112.7Q302 N323Q302-T325 PolarHBondContact O-N 2.85Å; N323-T325 PolarHBondContact O-N 2.96Å
326L97.2Very high97.8Very high90 Ų9031.8 Ų31.847%0.47117%0.173SC..BIsolated β-bridgetrans-150.4154.3179.464.598.3000110.6T303T303-L326 HydrophobicContact CG2-CD1 4.33Å; T303-L326 HydrophobicContact CG2-CD2 4.32Å; T303-L326 HydrophobicContact CG2-CG 4.15Å
327L98.3Very high97.8Very high11 Ų1130.5 Ų30.56%0.05817%0.166CC..  trans-103.6140.3167.1-60.9176.7000109.6L304 L324 F340 V342 L347 I350 P351L304-L327 HydrophobicContact CD1-CD2 4.14Å; L324-L327 HydrophobicContact CD1-CD2 4.26Å; L327-F340 HydrophobicContact CD1-CE1 3.75Å; L327-F340 HydrophobicContact CD1-CZ 3.87Å; L327-F340 HydrophobicContact CD2-CZ 4Å; L327-V342 HydrophobicContact CD2-CG1 4.33Å; L327-L347 HydrophobicContact CD1-CD1 3.98Å; L327-L347 HydrophobicContact CD2-CD1 4.23Å; L327-L347 HydrophobicContact CD2-CD2 4.16Å; L327-L347 HydrophobicContact CG-CD1 3.95Å; L327-L347 HydrophobicContact CG-CD2 3.89Å; L327-I350 HydrophobicContact CD1-CD1 4.15Å; L327-P351 HydrophobicContact CB-CG 3.96Å
328P98.1Very high97.8Very high12 Ų1232.1 Ų32.18%0.07817%0.174CC..  trans-66.6141.4175.228.8-34.7000110.1L304 I308 Q330 I331L304-P328 HydrophobicContact CB-CG 4.02Å; I308-P328 HydrophobicContact CG2-CG 3.9Å; P328-Q330 PolarHBondContact O-N 2.89Å; P328-Q330 VanDerWaalsContact O-N 3.11Å; P328-I331 WeakPolarHBondContact O-CB 3.49Å; P328-I331 WeakPolarHBondContact O-CG2 3.29Å; P328-I331 PolarHBondContact O-N 2.75Å
329K98.1Very high97.8Very high125 Ų12532 Ų3254%0.54317%0.174SC..G310 helixtrans-55.9-31.1175.6-67.2174.4163.1-115.40112.1I331 G332 P351 E353K329-I331 PolarHBondContact O-N 2.98Å; K329-I331 VanDerWaalsContact O-N 3.13Å; K329-G332 PolarHBondContact O-N 2.92Å; K329-P351 HydrophobicContact CG-CB 4.49Å; K329-E353 HydrophobicContact CB-CB 4.42Å; K329-E353 HydrophobicContact CB-CG 4.14Å; K329-E353 WeakPolarHBondContact CD-OE1 3.09Å; K329-E353 IonicContact NZ-OE1 3.43Å; K329-E353 PolarHBondContact NZ-OE1 2.79Å; K329-E353 WeakPolarHBondContact O-CB 3.41Å
330Q98.5Very high97.8Very high96 Ų9632 Ų3245%0.44917%0.174SC..G310 helixtrans-63.5-13.7178.8-67.475.111.600113.2A306 G309 P328 G332 G333A306-Q330 HydrophobicContact CB-CG 4.2Å; A306-Q330 WeakPolarHBondContact O-CB 3.45Å; A306-Q330 WeakPolarHBondContact O-CG 3.33Å; G309-Q330 WeakPolarHBondContact CA-O 3.49Å; P328-Q330 PolarHBondContact O-N 2.89Å; P328-Q330 VanDerWaalsContact O-N 3.11Å; Q330-G332 PolarHBondContact O-N 3.36Å; Q330-G332 VanDerWaalsContact O-N 3.14Å; Q330-G333 WeakPolarHBondContact O-CA 3.21Å; Q330-G333 PolarHBondContact O-N 3.28Å
331I98.2Very high97.8Very high0 Ų032.4 Ų32.40%018%0.176CC..G310 helixtrans-56.1-29.8175.3-163.964000112.6I308 L317 P328 K329 G333 C334 F340 P351 L354I308-I331 HydrophobicContact CG1-CD1 4.29Å; I308-I331 HydrophobicContact CG2-CD1 3.87Å; L317-I331 HydrophobicContact CD2-CD1 3.89Å; P328-I331 WeakPolarHBondContact O-CB 3.49Å; P328-I331 WeakPolarHBondContact O-CG2 3.29Å; P328-I331 PolarHBondContact O-N 2.75Å; K329-I331 PolarHBondContact O-N 2.98Å; K329-I331 VanDerWaalsContact O-N 3.13Å; I331-G333 PolarHBondContact O-N 3Å; I331-G333 VanDerWaalsContact O-N 3.12Å; I331-C334 WeakPolarHBondContact O-CB 3.42Å; I331-C334 PolarHBondContact O-N 3.11Å; I331-F340 HydrophobicContact CD1-CZ 4.49Å; I331-F340 HydrophobicContact CG1-CE1 4.2Å; I331-F340 HydrophobicContact CG1-CZ 4.35Å; I331-P351 HydrophobicContact CG2-CG 3.88Å; I331-L354 HydrophobicContact CG1-CD1 4.16Å; I331-L354 HydrophobicContact CG2-CB 4.26Å; I331-L354 HydrophobicContact CG2-CD1 3.93Å
332G97.3Very high97.8Very high2 Ų229.2 Ų29.22%0.02117%0.165CC..G310 helixtrans-60.2-19.3171.700000114.3K329 Q330 C334 E353 Q356 A357K329-G332 PolarHBondContact O-N 2.92Å; Q330-G332 PolarHBondContact O-N 3.36Å; Q330-G332 VanDerWaalsContact O-N 3.14Å; G332-C334 VanDerWaalsContact C-N 3.28Å; G332-C334 PolarHBondContact O-N 3.41Å; G332-E353 WeakPolarHBondContact CA-O 3.36Å; G332-Q356 CarbonylContact O-C 3.42Å; G332-Q356 VanDerWaalsContact O-C 3.24Å; G332-Q356 VanDerWaalsContact O-CB 3.26Å; G332-Q356 WeakPolarHBondContact O-CB 3.28Å; G332-A357 PolarHBondContact O-N 3.03Å
333G97.8Very high97.7Very high15 Ų1530.3 Ų30.316%0.15517%0.168CC..G310 helixtrans-70.8-18.9173.900000113.9G309 K312 Q330 I331 S335G309-G333 CarbonylContact O-C 3.19Å; G309-G333 VanDerWaalsContact O-C 3.24Å; G309-G333 WeakPolarHBondContact O-CA 3.21Å; K312-G333 WeakPolarHBondContact CD-O 3.34Å; K312-G333 WeakPolarHBondContact CE-O 3.31Å; K312-G333 PolarHBondContact NZ-O 2.87Å; Q330-G333 WeakPolarHBondContact O-CA 3.21Å; Q330-G333 PolarHBondContact O-N 3.28Å; I331-G333 PolarHBondContact O-N 3Å; I331-G333 VanDerWaalsContact O-N 3.12Å; G333-S335 PolarHBondContact O-N 2.95Å
334C97.7Very high97.6Very high0 Ų029.4 Ų29.40%016%0.164CC..  trans-7371.5175.7-57.80000110.1I308 I331 G332 G336 L337 A357I308-C334 PolarHBondContact O-SG 2.92Å; I331-C334 WeakPolarHBondContact O-CB 3.42Å; I331-C334 PolarHBondContact O-N 3.11Å; G332-C334 VanDerWaalsContact C-N 3.28Å; G332-C334 PolarHBondContact O-N 3.41Å; C334-G336 PolarHBondContact O-N 2.97Å; C334-L337 HydrophobicContact CB-CB 3.86Å; C334-L337 HydrophobicContact CB-CD2 4.21Å; C334-L337 WeakPolarHBondContact O-CB 3.43Å; C334-L337 PolarHBondContact O-N 2.98Å; C334-A357 WeakPolarHBondContact O-CB 3.32Å
335S95.4Very high97.6Very high49 Ų4929.6 Ų29.634%0.34317%0.165SC..THydrogen-bonded Turntrans-64.8-26-170.551.60000113.9G333 L337 E359G333-S335 PolarHBondContact O-N 2.95Å; S335-L337 VanDerWaalsContact C-N 3.35Å; S335-E359 WeakPolarHBondContact O-CB 3.4Å; S335-E359 VanDerWaalsContact O-CG 3.32Å; S335-E359 WeakPolarHBondContact O-CG 3.21Å
336G96.3Very high97.6Very high24 Ų2431 Ų3125%0.24716%0.162CC..THydrogen-bonded Turntrans-86.41.5174.700000114.8K312 L314 S315 C334 N338K312-G336 WeakPolarHBondContact O-CA 3.15Å; K312-G336 PolarHBondContact O-N 3.03Å; K312-G336 VanDerWaalsContact O-N 3.13Å; L314-G336 CarbonylContact O-C 3.59Å; S315-G336 WeakPolarHBondContact CA-O 3.45Å; C334-G336 PolarHBondContact O-N 2.97Å; G336-N338 PolarHBondContact O-N 3.03Å
337L98.1Very high97.6Very high0 Ų026.7 Ų26.70%014%0.14CC..  trans-67.2118-173.8-17366000110.5L314 L317 C334 S335 F340 A357 E359 L360L314-L337 HydrophobicContact CD2-CD1 4.45Å; L314-L337 HydrophobicContact CG-CD1 4.34Å; L314-L337 WeakPolarHBondContact O-CA 2.9Å; L314-L337 PolarHBondContact O-N 2.96Å; L317-L337 HydrophobicContact CB-CD1 3.71Å; C334-L337 HydrophobicContact CB-CB 3.86Å; C334-L337 HydrophobicContact CB-CD2 4.21Å; C334-L337 WeakPolarHBondContact O-CB 3.43Å; C334-L337 PolarHBondContact O-N 2.98Å; S335-L337 VanDerWaalsContact C-N 3.35Å; L337-F340 HydrophobicContact CD1-CB 4.44Å; L337-F340 HydrophobicContact CD2-CB 3.82Å; L337-F340 HydrophobicContact CD2-CD1 4.23Å; L337-F340 HydrophobicContact CD2-CG 3.98Å; L337-F340 HydrophobicContact CG-CB 4.18Å; L337-A357 HydrophobicContact CB-CB 4.34Å; L337-E359 CarbonylContact O-C 3.55Å; L337-L360 HydrophobicContact CD2-CD1 4.28Å; L337-L360 HydrophobicContact CG-CD1 4.05Å; L337-L360 WeakPolarHBondContact O-CA 3.18Å; L337-L360 PolarHBondContact O-N 3.17Å
338N97.9Very high97.5Very high34 Ų3432.9 Ų32.918%0.18217%0.166CC..  trans-105.2-46.6-175.8-167.3-52.2000112S315 G336 E359 H361 V362 F459S315-N338 WeakPolarHBondContact O-CA 3.49Å; S315-N338 PolarHBondContact O-N 2.97Å; G336-N338 PolarHBondContact O-N 3.03Å; N338-E359 WeakPolarHBondContact CA-O 3.39Å; N338-H361 PolarHBondContact ND2-ND1 2.98Å; N338-H361 PolarHBondContact O-N 2.94Å; N338-V362 PolarHBondContact O-N 3.38Å; N338-F459 WeakPolarHBondContact OD1-CE2 3.46Å
339V98.5Very high97.4Very high10 Ų1038 Ų386%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-117.1122.6176-173.70000108.9S315 L317 V362 F459S315-V339 PolarHBondContact O-N 3.01Å; L317-V339 PolarHBondContact N-O 3.01Å; V339-V362 HydrophobicContact CG1-CB 4.32Å; V339-V362 HydrophobicContact CG1-CG1 4.27Å; V339-V362 HydrophobicContact CG2-CB 4.37Å; V339-F459 HydrophobicContact CG2-CD2 4.36Å; V339-F459 HydrophobicContact CG2-CE2 3.41Å; V339-F459 VanDerWaalsContact CG2-CE2 3.41Å; V339-F459 HydrophobicContact CG2-CZ 4.09Å
340F98.6Very high97.4Very high0 Ų032.3 Ų32.30%016%0.163CC..EExtended strand (participates in β ladder)trans-129.2118.2172.5-175.4-150.8000110.4L317 L327 I331 L337 V342 L354 L360 V362 L363 D364L317-F340 HydrophobicContact CB-CD2 3.9Å; L317-F340 HydrophobicContact CB-CE2 4.41Å; L317-F340 HydrophobicContact CD2-CD2 3.81Å; L317-F340 HydrophobicContact CD2-CE2 3.53Å; L317-F340 HydrophobicContact CD2-CZ 4.37Å; L317-F340 HydrophobicContact CG-CD2 3.84Å; L317-F340 HydrophobicContact CG-CE2 3.84Å; L317-F340 WeakPolarHBondContact O-CA 3.34Å; L327-F340 HydrophobicContact CD1-CE1 3.75Å; L327-F340 HydrophobicContact CD1-CZ 3.87Å; L327-F340 HydrophobicContact CD2-CZ 4Å; I331-F340 HydrophobicContact CD1-CZ 4.49Å; I331-F340 HydrophobicContact CG1-CE1 4.2Å; I331-F340 HydrophobicContact CG1-CZ 4.35Å; L337-F340 HydrophobicContact CD1-CB 4.44Å; L337-F340 HydrophobicContact CD2-CB 3.82Å; L337-F340 HydrophobicContact CD2-CD1 4.23Å; L337-F340 HydrophobicContact CD2-CG 3.98Å; L337-F340 HydrophobicContact CG-CB 4.18Å; F340-V342 HydrophobicContact CD2-CG1 4.19Å; F340-V342 HydrophobicContact CE1-CG1 4.36Å; F340-V342 HydrophobicContact CE2-CG1 3.32Å; F340-V342 HydrophobicContact CZ-CG1 3.43Å; F340-V342 VanDerWaalsContact CZ-CG1 3.43Å; F340-L354 HydrophobicContact CD1-CD1 4.12Å; F340-L354 HydrophobicContact CD1-CD2 4.34Å; F340-L354 HydrophobicContact CE1-CD1 4.28Å; F340-L354 HydrophobicContact CE1-CD2 4.43Å; F340-L360 HydrophobicContact CB-CD1 3.69Å; F340-V362 PolarHBondContact N-O 2.65Å; F340-L363 HydrophobicContact CB-CD1 4.19Å; F340-L363 HydrophobicContact CD1-CD1 3.69Å; F340-L363 HydrophobicContact CE1-CD1 4.44Å; F340-L363 HydrophobicContact CG-CD1 4.22Å; F340-L363 WeakPolarHBondContact O-CA 3.15Å; F340-D364 PolarHBondContact O-N 2.92Å
341T98.3Very high97.3Very high12 Ų1228.3 Ų28.37%0.07415%0.145CC..EExtended strand (participates in β ladder)trans-125.8129.1178.7-171.80000110.8L317 N318 C319 D320 D364L317-T341 PolarHBondContact O-N 2.97Å; N318-T341 HydrophobicContact CB-CG2 3.59Å; N318-T341 WeakPolarHBondContact ND2-CG2 3.42Å; N318-T341 WeakPolarHBondContact OD1-CG2 3.45Å; C319-T341 PolarHBondContact N-O 3.19Å; D320-T341 VanDerWaalsContact CG-OG1 3.28Å; D320-T341 VanDerWaalsContact OD1-CB 3.31Å; D320-T341 WeakPolarHBondContact OD1-CB 3.47Å; D320-T341 WeakPolarHBondContact OD1-CG2 3.34Å; D320-T341 PolarHBondContact OD1-OG1 3Å; D320-T341 PolarHBondContact OD2-OG1 2.94Å; T341-D364 WeakPolarHBondContact CA-O 3.47Å; T341-D364 WeakPolarHBondContact OG1-CB 3.48Å
342V97.9Very high97.3Very high0 Ų031.2 Ų31.20%016%0.164CC..  trans-137.338.1179-720000109.3C319 D320 L324 L327 F340 N345 L347 D364 V365 N368C319-V342 HydrophobicContact CB-CG1 4.14Å; D320-V342 PolarHBondContact OD1-N 3.5Å; L324-V342 HydrophobicContact CD1-CG1 4.04Å; L327-V342 HydrophobicContact CD2-CG1 4.33Å; F340-V342 HydrophobicContact CD2-CG1 4.19Å; F340-V342 HydrophobicContact CE1-CG1 4.36Å; F340-V342 HydrophobicContact CE2-CG1 3.32Å; F340-V342 HydrophobicContact CZ-CG1 3.43Å; F340-V342 VanDerWaalsContact CZ-CG1 3.43Å; V342-N345 PolarHBondContact O-ND2 3.14Å; V342-N345 VanDerWaalsContact O-ND2 3.15Å; V342-L347 HydrophobicContact CB-CD1 4.1Å; V342-L347 HydrophobicContact CG2-CD1 3.65Å; V342-D364 WeakPolarHBondContact CG2-O 3.22Å; V342-D364 PolarHBondContact N-O 2.86Å; V342-V365 HydrophobicContact CG2-CB 4.29Å; V342-V365 HydrophobicContact CG2-CG1 3.66Å; V342-N368 PolarHBondContact O-ND2 3.3Å
343R96.4Very high97.3Very high25 Ų2533.2 Ų33.29%0.09417%0.173CC..  trans-59.4150.4-179.7-178.3173.768.478.924.1110.5D320 R321 N345 S366 E389D320-R343 CarbonylContact C-O 3.57Å; D320-R343 WeakPolarHBondContact CA-O 3.34Å; D320-R343 HydrophobicContact CB-CB 4.39Å; D320-R343 WeakPolarHBondContact OD1-CB 3.39Å; D320-R343 PolarHBondContact OD1-N 3.02Å; D320-R343 IonicContact OD2-NE 2.78Å; R321-R343 PolarHBondContact N-O 2.97Å; R343-N345 PolarHBondContact O-N 3.49Å; R343-N345 PolarHBondContact O-ND2 3.31Å; R343-S366 CarbonylContact C-O 3.55Å; R343-S366 WeakPolarHBondContact CA-O 3.48Å; R343-S366 WeakPolarHBondContact CD-OG 3.4Å; R343-S366 WeakPolarHBondContact CG-OG 3.19Å; R343-E389 IonicContact CZ-OE1 2.82Å; R343-E389 IonicContact NH1-OE1 2.77Å; R343-E389 PolarHBondContact NH1-OE1 3.47Å
344D96.6Very high97.3Very high38 Ų3832.5 Ų32.520%0.20317%0.165CC..SBendtrans52.157.9175.2-62-24.7000112.7R321 S366 G367R321-D344 WeakPolarHBondContact CA-O 3.3Å; R321-D344 HydrophobicContact CG-CB 3.74Å; R321-D344 IonicContact NE-OD2 3.35Å; R321-D344 PolarHBondContact NE-OD2 3.02Å; D344-S366 PolarHBondContact N-O 2.87Å; D344-G367 WeakPolarHBondContact CA-O 3.41Å
345N97.6Very high97.3Very high4 Ų433.6 Ų33.62%0.02117%0.173CC..SBendtrans-125.3-170.5174.1-86.1-88.3000109.6C319 N322 L324 V342 R343 L347 N368C319-N345 PolarHBondContact O-ND2 3.38Å; N322-N345 WeakPolarHBondContact CA-OD1 3.47Å; N322-N345 WeakPolarHBondContact CB-OD1 3.34Å; N322-N345 PolarHBondContact N-OD1 2.94Å; N322-N345 PolarHBondContact O-OD1 3.36Å; N322-N345 VanDerWaalsContact O-OD1 3.06Å; L324-N345 HydrophobicContact CB-CB 4.13Å; L324-N345 WeakPolarHBondContact CB-OD1 3.11Å; L324-N345 VanDerWaalsContact CG-OD1 3.25Å; L324-N345 WeakPolarHBondContact CG-OD1 3.09Å; L324-N345 PolarHBondContact N-OD1 3.25Å; V342-N345 PolarHBondContact O-ND2 3.14Å; V342-N345 VanDerWaalsContact O-ND2 3.15Å; R343-N345 PolarHBondContact O-N 3.49Å; R343-N345 PolarHBondContact O-ND2 3.31Å; N345-L347 HydrophobicContact CB-CG 4.36Å; N345-N368 WeakPolarHBondContact CA-OD1 3.43Å; N345-N368 WeakPolarHBondContact CB-OD1 3.44Å; N345-N368 PolarHBondContact O-OD1 2.66Å
346Y97.3Very high97.4Very high104 Ų10436.7 Ų36.741%0.40818%0.182SC..  trans-111.825.5-178.2-58.8-92.8000112.4N323 L324 K348 N368N323-Y346 HydrophobicContact CB-CE2 4.46Å; N323-Y346 WeakPolarHBondContact OD1-CE2 3.29Å; L324-Y346 CarbonylContact O-C 3.24Å; L324-Y346 VanDerWaalsContact O-CA 3.25Å; L324-Y346 WeakPolarHBondContact O-CA 3.32Å; L324-Y346 WeakPolarHBondContact O-CB 3.39Å; L324-Y346 PolarHBondContact O-N 2.7Å; Y346-K348 PolarHBondContact O-N 2.75Å; Y346-N368 PolarHBondContact N-OD1 3.37Å
347L97.7Very high97.4Very high0 Ų035.5 Ų35.50%017%0.17CC..  trans-65.2128.8-176.3-60.5176.6000110.9L324 L327 V342 N345 I350 N368 R369 L370L324-L347 HydrophobicContact CB-CD2 3.94Å; L324-L347 HydrophobicContact CB-CG 4.49Å; L324-L347 PolarHBondContact O-N 2.82Å; L327-L347 HydrophobicContact CD1-CD1 3.98Å; L327-L347 HydrophobicContact CD2-CD1 4.23Å; L327-L347 HydrophobicContact CD2-CD2 4.16Å; L327-L347 HydrophobicContact CG-CD1 3.95Å; L327-L347 HydrophobicContact CG-CD2 3.89Å; V342-L347 HydrophobicContact CB-CD1 4.1Å; V342-L347 HydrophobicContact CG2-CD1 3.65Å; N345-L347 HydrophobicContact CB-CG 4.36Å; L347-I350 HydrophobicContact CD1-CD1 4.15Å; L347-N368 HydrophobicContact CB-CB 4.18Å; L347-N368 WeakPolarHBondContact CB-OD1 3.33Å; L347-N368 VanDerWaalsContact CG-OD1 3.25Å; L347-N368 WeakPolarHBondContact CG-OD1 3.35Å; L347-N368 PolarHBondContact N-OD1 2.91Å; L347-R369 CarbonylContact O-C 3.47Å; L347-R369 WeakPolarHBondContact O-CA 3.19Å; L347-R369 PolarHBondContact O-N 3.14Å; L347-L370 HydrophobicContact CB-CD2 4.23Å; L347-L370 PolarHBondContact O-N 3.38Å
348K95.6Very high97.2Very high140 Ų14039.9 Ų39.961%0.60920%0.197SC*.SBendtrans-99.1-21.3174.6-65.1-178.3-178.4177.70113.4Y346 R369 P371Y346-K348 PolarHBondContact O-N 2.75Å; K348-R369 HydrophobicContact CG-CB 4.48Å; K348-P371 WeakPolarHBondContact O-CD 3.2Å
349K95.5Very high97.2Very high120 Ų12042.8 Ų42.852%0.52221%0.209SC..  trans-147.5147.2179.6-62.6-167.3-179.7-156.70109.5Y372K349-Y372 PolarHBondContact NZ-OH 3Å
350I97.9Very high97.1Very high5 Ų542.4 Ų42.43%0.02621%0.207CC..  trans-95.1129.7163.7-57.7-55.6000107.4L327 L347 L354 V365 L370 L373 P374 L377L327-I350 HydrophobicContact CD1-CD1 4.15Å; L347-I350 HydrophobicContact CD1-CD1 4.15Å; I350-L354 HydrophobicContact CG2-CB 4.24Å; I350-L354 HydrophobicContact CG2-CD2 3.55Å; I350-V365 HydrophobicContact CD1-CB 4.5Å; I350-V365 HydrophobicContact CD1-CG1 3.8Å; I350-L370 HydrophobicContact CD1-CD1 4.08Å; I350-L370 HydrophobicContact CD1-CD2 4.06Å; I350-L370 HydrophobicContact CG1-CD1 3.93Å; I350-L370 HydrophobicContact CG1-CD2 3.98Å; I350-L373 HydrophobicContact CG1-CD2 3.96Å; I350-P374 HydrophobicContact CB-CG 4.31Å; I350-P374 HydrophobicContact CG2-CG 4.45Å; I350-P374 WeakPolarHBondContact O-CG 3.23Å; I350-L377 HydrophobicContact CG2-CD1 4.4Å
351P97.5Very high97.1Very high13 Ų1344.1 Ų44.18%0.08422%0.215CC..  trans-65.5133.3179.225.9-33000110L327 K329 I331 E353 L354L327-P351 HydrophobicContact CB-CG 3.96Å; K329-P351 HydrophobicContact CG-CB 4.49Å; I331-P351 HydrophobicContact CG2-CG 3.88Å; P351-E353 PolarHBondContact O-N 3.06Å; P351-E353 VanDerWaalsContact O-N 3.1Å; P351-L354 WeakPolarHBondContact O-CB 3.29Å; P351-L354 PolarHBondContact O-N 3.03Å
352P97Very high97.1Very high61 Ų6143.9 Ų43.940%0.39621%0.214SC..G310 helixtrans-55.1-30.3177.5-27.134.5000113.3L354 S355 P374 S376P352-L354 PolarHBondContact O-N 2.78Å; P352-S355 WeakPolarHBondContact O-CB 3.41Å; P352-S355 PolarHBondContact O-N 3.35Å; P352-S355 PolarHBondContact O-OG 3.06Å; P352-S355 VanDerWaalsContact O-OG 3.09Å; P352-P374 HydrophobicContact CB-CB 4.33Å; P352-P374 HydrophobicContact CG-CB 4.07Å; P352-S376 WeakPolarHBondContact CA-OG 3.28Å; P352-S376 WeakPolarHBondContact CB-OG 3.18Å; P352-S376 WeakPolarHBondContact O-CB 3.25Å; P352-S376 PolarHBondContact O-OG 3Å
353E98.2Very high97.1Very high44 Ų4443.9 Ų43.921%0.20621%0.214CC..G310 helixtrans-61.8-19.4178.3-63.986.9164.800113.6K329 G332 P351 S355 Q356K329-E353 HydrophobicContact CB-CB 4.42Å; K329-E353 HydrophobicContact CB-CG 4.14Å; K329-E353 WeakPolarHBondContact CD-OE1 3.09Å; K329-E353 IonicContact NZ-OE1 3.43Å; K329-E353 PolarHBondContact NZ-OE1 2.79Å; K329-E353 WeakPolarHBondContact O-CB 3.41Å; G332-E353 WeakPolarHBondContact CA-O 3.36Å; P351-E353 PolarHBondContact O-N 3.06Å; P351-E353 VanDerWaalsContact O-N 3.1Å; E353-S355 PolarHBondContact O-N 3.08Å; E353-Q356 VanDerWaalsContact O-CB 3.27Å; E353-Q356 WeakPolarHBondContact O-CB 3.41Å; E353-Q356 WeakPolarHBondContact O-CG 3.14Å; E353-Q356 PolarHBondContact O-N 3.17Å
354L98.3Very high97.2Very high0 Ų043.8 Ų43.80%022%0.215CC..G310 helixtrans-55.1-26.6173.7-178.561.7000112.2I331 F340 I350 P351 P352 Q356 A357 L360 L363 L377I331-L354 HydrophobicContact CG1-CD1 4.16Å; I331-L354 HydrophobicContact CG2-CB 4.26Å; I331-L354 HydrophobicContact CG2-CD1 3.93Å; F340-L354 HydrophobicContact CD1-CD1 4.12Å; F340-L354 HydrophobicContact CD1-CD2 4.34Å; F340-L354 HydrophobicContact CE1-CD1 4.28Å; F340-L354 HydrophobicContact CE1-CD2 4.43Å; I350-L354 HydrophobicContact CG2-CB 4.24Å; I350-L354 HydrophobicContact CG2-CD2 3.55Å; P351-L354 WeakPolarHBondContact O-CB 3.29Å; P351-L354 PolarHBondContact O-N 3.03Å; P352-L354 PolarHBondContact O-N 2.78Å; L354-Q356 PolarHBondContact O-N 2.79Å; L354-A357 HydrophobicContact CD1-CB 4.46Å; L354-A357 WeakPolarHBondContact O-CB 3.2Å; L354-A357 PolarHBondContact O-N 3.22Å; L354-L360 HydrophobicContact CD1-CD2 4.14Å; L354-L360 HydrophobicContact CD2-CD2 4.27Å; L354-L360 HydrophobicContact CG-CD2 4.15Å; L354-L363 HydrophobicContact CD2-CD1 4.32Å; L354-L363 HydrophobicContact CD2-CD2 3.96Å; L354-L377 HydrophobicContact CB-CD2 4.47Å; L354-L377 HydrophobicContact CD2-CD2 4.19Å; L354-L377 HydrophobicContact CG-CD2 4.38Å
355S96.5Very high97.2Very high23 Ų2342 Ų4216%0.16121%0.205CC..G310 helixtrans-63.5-9.9175.477.40000114.6P352 E353 S376 L380P352-S355 WeakPolarHBondContact O-CB 3.41Å; P352-S355 PolarHBondContact O-N 3.35Å; P352-S355 PolarHBondContact O-OG 3.06Å; P352-S355 VanDerWaalsContact O-OG 3.09Å; E353-S355 PolarHBondContact O-N 3.08Å; S355-S376 WeakPolarHBondContact CB-O 3.43Å; S355-L380 WeakPolarHBondContact O-CD2 3.34Å
356Q97.3Very high97.1Very high113 Ų11341.9 Ų41.953%0.52821%0.205SC..G310 helixtrans-81.3-15.2174.2-62173.36.700112.7G332 E353 L354 T358G332-Q356 CarbonylContact O-C 3.42Å; G332-Q356 VanDerWaalsContact O-C 3.24Å; G332-Q356 VanDerWaalsContact O-CB 3.26Å; G332-Q356 WeakPolarHBondContact O-CB 3.28Å; E353-Q356 VanDerWaalsContact O-CB 3.27Å; E353-Q356 WeakPolarHBondContact O-CB 3.41Å; E353-Q356 WeakPolarHBondContact O-CG 3.14Å; E353-Q356 PolarHBondContact O-N 3.17Å; L354-Q356 PolarHBondContact O-N 2.79Å; Q356-T358 PolarHBondContact O-N 3.08Å
357A96.9Very high97Very high0 Ų038 Ų380%020%0.196CC..  trans-76.675.916900000108.8G332 C334 L337 L354 E359 L360 L380G332-A357 PolarHBondContact O-N 3.03Å; C334-A357 WeakPolarHBondContact O-CB 3.32Å; L337-A357 HydrophobicContact CB-CB 4.34Å; L354-A357 HydrophobicContact CD1-CB 4.46Å; L354-A357 WeakPolarHBondContact O-CB 3.2Å; L354-A357 PolarHBondContact O-N 3.22Å; A357-E359 PolarHBondContact O-N 3.16Å; A357-L360 HydrophobicContact CB-CB 4.31Å; A357-L360 WeakPolarHBondContact O-CB 3.35Å; A357-L360 PolarHBondContact O-N 3.08Å; A357-L380 VanDerWaalsContact O-CD2 3.24Å; A357-L380 WeakPolarHBondContact O-CD2 3.43Å
358T94.3Very high97Very high91 Ų9138 Ų3856%0.55820%0.196SC*.THydrogen-bonded Turntrans-64.1-23.5-167.951.30000114Q356 L360Q356-T358 PolarHBondContact O-N 3.08Å; T358-L360 VanDerWaalsContact C-N 3.28Å
359E96.8Very high97Very high96 Ų9636.3 Ų36.345%0.44919%0.186SC..THydrogen-bonded Turntrans-86.36.2176.9-59.8-54135.700113.4S335 L337 N338 A357 H361S335-E359 WeakPolarHBondContact O-CB 3.4Å; S335-E359 VanDerWaalsContact O-CG 3.32Å; S335-E359 WeakPolarHBondContact O-CG 3.21Å; L337-E359 CarbonylContact O-C 3.55Å; N338-E359 WeakPolarHBondContact CA-O 3.39Å; A357-E359 PolarHBondContact O-N 3.16Å; E359-H361 PolarHBondContact O-CE1 2.75Å; E359-H361 VanDerWaalsContact O-CE1 3.3Å; E359-H361 PolarHBondContact O-N 2.75Å; E359-H361 PolarHBondContact O-ND1 3.22Å; E359-H361 IonicContact OE2-CE1 3.97Å
360L98.2Very high97Very high1 Ų130.6 Ų30.61%0.00516%0.161CC..  trans-72115.1-178.7-172.567.6000110.2L337 F340 L354 A357 T358 L363 L380 L382L337-L360 HydrophobicContact CD2-CD1 4.28Å; L337-L360 HydrophobicContact CG-CD1 4.05Å; L337-L360 WeakPolarHBondContact O-CA 3.18Å; L337-L360 PolarHBondContact O-N 3.17Å; F340-L360 HydrophobicContact CB-CD1 3.69Å; L354-L360 HydrophobicContact CD1-CD2 4.14Å; L354-L360 HydrophobicContact CD2-CD2 4.27Å; L354-L360 HydrophobicContact CG-CD2 4.15Å; A357-L360 HydrophobicContact CB-CB 4.31Å; A357-L360 WeakPolarHBondContact O-CB 3.35Å; A357-L360 PolarHBondContact O-N 3.08Å; T358-L360 VanDerWaalsContact C-N 3.28Å; L360-L363 HydrophobicContact CD2-CB 4.27Å; L360-L363 HydrophobicContact CD2-CD2 4.47Å; L360-L380 HydrophobicContact CB-CD1 4.26Å; L360-L380 HydrophobicContact CD2-CD1 3.93Å; L360-L382 HydrophobicContact CD2-CD2 4.29Å; L360-L382 HydrophobicContact CG-CD2 3.97Å; L360-L382 WeakPolarHBondContact O-CD2 3.2Å
361H97.4Very high96.9Very high36 Ų3632.8 Ų32.817%0.16718%0.176CC..  trans-110.6-31.7-178.7-68.699.1000112.5N338 E359 L382 K383 A384N338-H361 PolarHBondContact ND2-ND1 2.98Å; N338-H361 PolarHBondContact O-N 2.94Å; E359-H361 PolarHBondContact O-CE1 2.75Å; E359-H361 VanDerWaalsContact O-CE1 3.3Å; E359-H361 PolarHBondContact O-N 2.75Å; E359-H361 PolarHBondContact O-ND1 3.22Å; E359-H361 IonicContact OE2-CE1 3.97Å; H361-L382 CarbonylContact O-C 3.4Å; H361-K383 HydrophobicContact CB-CD 4.21Å; H361-K383 HydrophobicContact CB-CG 4.3Å; H361-K383 PolarHBondContact O-N 2.93Å; H361-A384 PolarHBondContact O-N 3.35Å
362V98.2Very high96.8Very high8 Ų833.7 Ų33.75%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-126.3119.1179.9177.60000109.2N338 V339 F340 A384 I457 F459N338-V362 PolarHBondContact O-N 3.38Å; V339-V362 HydrophobicContact CG1-CB 4.32Å; V339-V362 HydrophobicContact CG1-CG1 4.27Å; V339-V362 HydrophobicContact CG2-CB 4.37Å; F340-V362 PolarHBondContact N-O 2.65Å; V362-A384 WeakPolarHBondContact CA-O 3.39Å; V362-A384 HydrophobicContact CG1-CB 4.36Å; V362-A384 HydrophobicContact CG2-CB 4.2Å; V362-I457 HydrophobicContact CG1-CD1 4.08Å; V362-F459 HydrophobicContact CG2-CE1 4.37Å; V362-F459 HydrophobicContact CG2-CZ 3.69Å
363L98.3Very high96.8Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-121.6118.6173.6177.959000109.5F340 L354 L360 V365 L377 L382 A384 L385 W386F340-L363 HydrophobicContact CB-CD1 4.19Å; F340-L363 HydrophobicContact CD1-CD1 3.69Å; F340-L363 HydrophobicContact CE1-CD1 4.44Å; F340-L363 HydrophobicContact CG-CD1 4.22Å; F340-L363 WeakPolarHBondContact O-CA 3.15Å; L354-L363 HydrophobicContact CD2-CD1 4.32Å; L354-L363 HydrophobicContact CD2-CD2 3.96Å; L360-L363 HydrophobicContact CD2-CB 4.27Å; L360-L363 HydrophobicContact CD2-CD2 4.47Å; L363-V365 HydrophobicContact CD1-CG1 3.69Å; L363-V365 HydrophobicContact CD2-CG1 4.32Å; L363-V365 HydrophobicContact CG-CG1 3.89Å; L363-L377 HydrophobicContact CD2-CD1 4.38Å; L363-L382 HydrophobicContact CB-CD2 4.13Å; L363-A384 PolarHBondContact N-O 3.13Å; L363-L385 HydrophobicContact CB-CD1 3.96Å; L363-L385 HydrophobicContact CD2-CD1 3.86Å; L363-L385 HydrophobicContact CG-CD1 3.87Å; L363-L385 CarbonylContact O-C 3.54Å; L363-L385 VanDerWaalsContact O-CA 3.27Å; L363-L385 WeakPolarHBondContact O-CA 3.25Å; L363-W386 PolarHBondContact O-N 3.12Å
364D97.8Very high96.7Very high23 Ų2329.4 Ų29.412%0.12315%0.154CC..EExtended strand (participates in β ladder)trans-113.6115.2171-167.4-19.2000110.2F340 T341 V342 S366 W386F340-D364 PolarHBondContact O-N 2.92Å; T341-D364 WeakPolarHBondContact CA-O 3.47Å; T341-D364 WeakPolarHBondContact OG1-CB 3.48Å; V342-D364 WeakPolarHBondContact CG2-O 3.22Å; V342-D364 PolarHBondContact N-O 2.86Å; D364-S366 VanDerWaalsContact OD1-CB 3.24Å; D364-S366 WeakPolarHBondContact OD1-CB 3.47Å; D364-S366 PolarHBondContact OD1-N 2.98Å; D364-S366 PolarHBondContact OD1-OG 2.85Å; D364-W386 HydrophobicContact CB-CB 3.98Å; D364-W386 HydrophobicContact CB-CG 4.43Å; D364-W386 VanDerWaalsContact CG-CB 3.46Å; D364-W386 WeakPolarHBondContact OD1-CB 3.31Å
365V97.4Very high96.6Very high0 Ų032.1 Ų32.10%017%0.167CC..  trans-12520.9177.4-61.30000110.3V342 I350 L363 N368 L370 L385 W386 L387 Q418V342-V365 HydrophobicContact CG2-CB 4.29Å; V342-V365 HydrophobicContact CG2-CG1 3.66Å; I350-V365 HydrophobicContact CD1-CB 4.5Å; I350-V365 HydrophobicContact CD1-CG1 3.8Å; L363-V365 HydrophobicContact CD1-CG1 3.69Å; L363-V365 HydrophobicContact CD2-CG1 4.32Å; L363-V365 HydrophobicContact CG-CG1 3.89Å; V365-N368 WeakPolarHBondContact O-CB 3.22Å; V365-N368 PolarHBondContact O-ND2 3.46Å; V365-L370 HydrophobicContact CB-CD1 3.9Å; V365-L370 HydrophobicContact CG2-CD1 3.62Å; V365-L385 HydrophobicContact CG2-CD1 4.47Å; V365-W386 PolarHBondContact N-O 3.18Å; V365-L387 HydrophobicContact CG2-CD2 3.35Å; V365-Q418 PolarHBondContact O-NE2 3.24Å
366S96Very high96.6Very high1 Ų132.4 Ų32.41%0.00717%0.169CC..THydrogen-bonded Turntrans-61.6155178.461.40000111.7R343 D344 D364 N368 W386R343-S366 CarbonylContact C-O 3.55Å; R343-S366 WeakPolarHBondContact CA-O 3.48Å; R343-S366 WeakPolarHBondContact CD-OG 3.4Å; R343-S366 WeakPolarHBondContact CG-OG 3.19Å; D344-S366 PolarHBondContact N-O 2.87Å; D364-S366 VanDerWaalsContact OD1-CB 3.24Å; D364-S366 WeakPolarHBondContact OD1-CB 3.47Å; D364-S366 PolarHBondContact OD1-N 2.98Å; D364-S366 PolarHBondContact OD1-OG 2.85Å; S366-N368 VanDerWaalsContact C-N 3.26Å; S366-N368 PolarHBondContact O-N 3.36Å; S366-N368 PolarHBondContact O-ND2 2.87Å; S366-W386 PolarHBondContact N-O 3.44Å
367G94.9Very high96.6Very high22 Ų2227.4 Ų27.423%0.22715%0.146CC..THydrogen-bonded Turntrans67.918.6-179.600000115.6D344D344-G367 WeakPolarHBondContact CA-O 3.41Å
368N96.7Very high96.4Very high1 Ų131.6 Ų31.61%0.00517%0.171CC..SBendtrans-97.5-162.8174.3-80-82.7000112.3V342 N345 Y346 L347 V365 S366 L370 Q418V342-N368 PolarHBondContact O-ND2 3.3Å; N345-N368 WeakPolarHBondContact CA-OD1 3.43Å; N345-N368 WeakPolarHBondContact CB-OD1 3.44Å; N345-N368 PolarHBondContact O-OD1 2.66Å; Y346-N368 PolarHBondContact N-OD1 3.37Å; L347-N368 HydrophobicContact CB-CB 4.18Å; L347-N368 WeakPolarHBondContact CB-OD1 3.33Å; L347-N368 VanDerWaalsContact CG-OD1 3.25Å; L347-N368 WeakPolarHBondContact CG-OD1 3.35Å; L347-N368 PolarHBondContact N-OD1 2.91Å; V365-N368 WeakPolarHBondContact O-CB 3.22Å; V365-N368 PolarHBondContact O-ND2 3.46Å; S366-N368 VanDerWaalsContact C-N 3.26Å; S366-N368 PolarHBondContact O-N 3.36Å; S366-N368 PolarHBondContact O-ND2 2.87Å; N368-L370 HydrophobicContact CB-CG 4.17Å; N368-Q418 VanDerWaalsContact O-CB 3.3Å; N368-Q418 WeakPolarHBondContact O-CB 3.22Å; N368-Q418 PolarHBondContact O-OE1 3.29Å
369R96Very high96.5Very high105 Ų10531.4 Ų31.440%0.39617%0.171SC..  trans-123.436.4-179.5-56.4-177.1-176.7-139.2-0.5111.6L347 K348 P371L347-R369 CarbonylContact O-C 3.47Å; L347-R369 WeakPolarHBondContact O-CA 3.19Å; L347-R369 PolarHBondContact O-N 3.14Å; K348-R369 HydrophobicContact CG-CB 4.48Å; R369-P371 WeakPolarHBondContact O-CD 3.46Å
370L96.1Very high96.4Very high0 Ų027.5 Ų27.50%015%0.153CC..  trans-74.5122.4-176.4-59.9174.2000111L347 I350 V365 N368 L373 L416 P417 Q418L347-L370 HydrophobicContact CB-CD2 4.23Å; L347-L370 PolarHBondContact O-N 3.38Å; I350-L370 HydrophobicContact CD1-CD1 4.08Å; I350-L370 HydrophobicContact CD1-CD2 4.06Å; I350-L370 HydrophobicContact CG1-CD1 3.93Å; I350-L370 HydrophobicContact CG1-CD2 3.98Å; V365-L370 HydrophobicContact CB-CD1 3.9Å; V365-L370 HydrophobicContact CG2-CD1 3.62Å; N368-L370 HydrophobicContact CB-CG 4.17Å; L370-L373 HydrophobicContact CD1-CD2 3.94Å; L370-L416 HydrophobicContact CB-CD2 4.06Å; L370-L416 VanDerWaalsContact O-CD2 3.26Å; L370-L416 WeakPolarHBondContact O-CD2 3.09Å; L370-P417 CarbonylContact O-C 3.1Å; L370-P417 WeakPolarHBondContact O-CA 3.49Å; L370-Q418 HydrophobicContact CB-CG 4.46Å; L370-Q418 VanDerWaalsContact CB-OE1 3.29Å; L370-Q418 VanDerWaalsContact CG-OE1 3.27Å; L370-Q418 VanDerWaalsContact N-OE1 3.07Å; L370-Q418 PolarHBondContact O-N 3Å
371P94.6Very high96.2Very high51 Ų5135.1 Ų35.133%0.33119%0.188SC..SBendtrans-77.5-32.7173.130.2-30.9000112.3K348 R369 P417K348-P371 WeakPolarHBondContact O-CD 3.2Å; R369-P371 WeakPolarHBondContact O-CD 3.46Å; P371-P417 HydrophobicContact CB-CB 4.38Å
372Y95.9Very high96.1Very high32 Ų3234.5 Ų34.513%0.12519%0.186CC..  trans-157.6172.6-177.852.8-109.8000109.5K349 D403 V410 L411K349-Y372 PolarHBondContact NZ-OH 3Å; Y372-D403 HydrophobicContact CE1-CB 3.94Å; Y372-D403 WeakPolarHBondContact CE1-OD1 3.32Å; Y372-D403 PolarHBondContact OH-OD2 3.39Å; Y372-V410 HydrophobicContact CD1-CB 4.47Å; Y372-V410 HydrophobicContact CD1-CG1 4.36Å; Y372-V410 HydrophobicContact CD1-CG2 4.17Å; Y372-V410 HydrophobicContact CD2-CB 3.76Å; Y372-V410 HydrophobicContact CD2-CG1 3.51Å; Y372-V410 HydrophobicContact CD2-CG2 4.34Å; Y372-V410 HydrophobicContact CE1-CG1 4.46Å; Y372-V410 HydrophobicContact CE2-CB 4.42Å; Y372-V410 HydrophobicContact CE2-CG1 3.65Å; Y372-V410 HydrophobicContact CG-CB 3.81Å; Y372-V410 HydrophobicContact CG-CG1 3.9Å; Y372-V410 HydrophobicContact CG-CG2 3.88Å; Y372-L411 WeakPolarHBondContact CB-O 3.28Å
373L97.2Very high96Very high0 Ų040.2 Ų40.20%021%0.21CC..EExtended strand (participates in β ladder)trans-111.7150.1171.2-66.8177.6000111I350 L370 L377 L385 L387 F398 L411 L416I350-L373 HydrophobicContact CG1-CD2 3.96Å; L370-L373 HydrophobicContact CD1-CD2 3.94Å; L373-L377 HydrophobicContact CB-CD1 4.15Å; L373-L377 HydrophobicContact CD1-CD1 4.25Å; L373-L377 HydrophobicContact CD2-CD1 4.13Å; L373-L377 HydrophobicContact CG-CD1 4.42Å; L373-L385 HydrophobicContact CD1-CD2 3.79Å; L373-L387 HydrophobicContact CD1-CD1 4.22Å; L373-L387 HydrophobicContact CD1-CD2 4.11Å; L373-L387 HydrophobicContact CD2-CD2 4.34Å; L373-F398 HydrophobicContact CD1-CE1 3.72Å; L373-F398 HydrophobicContact CD1-CZ 3.93Å; L373-L411 HydrophobicContact CB-CB 4.04Å; L373-L411 HydrophobicContact CB-CD1 4.45Å; L373-L411 PolarHBondContact N-O 2.82Å; L373-L411 PolarHBondContact O-N 3.05Å; L373-L416 HydrophobicContact CG-CD1 4.17Å
374P96.8Very high95.9Very high15 Ų1540.7 Ų40.710%0.09721%0.213CC..EExtended strand (participates in β ladder)trans-71.8144.5177.729.6-33.7000111.5I350 P352 S376 L377I350-P374 HydrophobicContact CB-CG 4.31Å; I350-P374 HydrophobicContact CG2-CG 4.45Å; I350-P374 WeakPolarHBondContact O-CG 3.23Å; P352-P374 HydrophobicContact CB-CB 4.33Å; P352-P374 HydrophobicContact CG-CB 4.07Å; P374-S376 PolarHBondContact O-N 3.27Å; P374-S376 VanDerWaalsContact O-N 3.13Å; P374-L377 HydrophobicContact CG-CD1 4.27Å; P374-L377 HydrophobicContact CG-CG 4.05Å; P374-L377 PolarHBondContact O-N 3.46Å; P374-L377 VanDerWaalsContact O-N 3.15Å
375M96Very high95.8Very high57 Ų5739.9 Ų39.928%0.28121%0.209SC..G310 helixtrans-59.2-25.9179.1-76.3-67.1-58.700113.6L377 T378 T400 K409 L411M375-L377 PolarHBondContact O-N 3.02Å; M375-T378 HydrophobicContact CE-CG2 4.49Å; M375-T378 WeakPolarHBondContact O-CB 3.25Å; M375-T378 WeakPolarHBondContact O-CG2 3.44Å; M375-T378 PolarHBondContact O-N 3.38Å; M375-T378 VanDerWaalsContact O-N 3.09Å; M375-T378 PolarHBondContact O-OG1 3.45Å; M375-T400 HydrophobicContact CE-CG2 4.48Å; M375-T400 HydrophobicContact SD-CG2 4.06Å; M375-K409 VanDerWaalsContact CG-C 3.43Å; M375-K409 HydrophobicContact CG-CB 3.81Å; M375-K409 WeakPolarHBondContact CG-O 3.11Å; M375-L411 HydrophobicContact CE-CD2 4.3Å; M375-L411 HydrophobicContact SD-CD2 3.47Å; M375-L411 WeakPolarHBondContact SD-CD2 3.18Å; M375-L411 HydrophobicContact SD-CG 3.72Å
376S96.3Very high95.8Very high29 Ų2943.1 Ų43.120%0.20322%0.221CC..G310 helixtrans-61.9-23.7178.862.10000113.1P352 S355 P374 T378 T379P352-S376 WeakPolarHBondContact CA-OG 3.28Å; P352-S376 WeakPolarHBondContact CB-OG 3.18Å; P352-S376 WeakPolarHBondContact O-CB 3.25Å; P352-S376 PolarHBondContact O-OG 3Å; S355-S376 WeakPolarHBondContact CB-O 3.43Å; P374-S376 PolarHBondContact O-N 3.27Å; P374-S376 VanDerWaalsContact O-N 3.13Å; S376-T378 PolarHBondContact O-N 2.95Å; S376-T378 VanDerWaalsContact O-N 3.15Å; S376-T379 WeakPolarHBondContact O-CG2 3.47Å; S376-T379 PolarHBondContact O-N 2.84Å; S376-T379 PolarHBondContact O-OG1 3.12Å
377L96.1Very high95.8Very high7 Ų743.1 Ų43.14%0.03722%0.222CC..G310 helixtrans-63.4-20.6175.1-68-179000113.2I350 L354 L363 L373 P374 M375 T379 L380I350-L377 HydrophobicContact CG2-CD1 4.4Å; L354-L377 HydrophobicContact CB-CD2 4.47Å; L354-L377 HydrophobicContact CD2-CD2 4.19Å; L354-L377 HydrophobicContact CG-CD2 4.38Å; L363-L377 HydrophobicContact CD2-CD1 4.38Å; L373-L377 HydrophobicContact CB-CD1 4.15Å; L373-L377 HydrophobicContact CD1-CD1 4.25Å; L373-L377 HydrophobicContact CD2-CD1 4.13Å; L373-L377 HydrophobicContact CG-CD1 4.42Å; P374-L377 HydrophobicContact CG-CD1 4.27Å; P374-L377 HydrophobicContact CG-CG 4.05Å; P374-L377 PolarHBondContact O-N 3.46Å; P374-L377 VanDerWaalsContact O-N 3.15Å; M375-L377 PolarHBondContact O-N 3.02Å; L377-T379 PolarHBondContact O-N 3.27Å; L377-L380 HydrophobicContact CD2-CD1 3.9Å; L377-L380 PolarHBondContact O-N 3Å; L377-L380 VanDerWaalsContact O-N 3.13Å
378T94.4Very high95.6Very high88 Ų8844.2 Ų44.254%0.5423%0.225SC..G310 helixtrans-65.2-15.9174.462.30000113.6M375 S376 L380 L411M375-T378 HydrophobicContact CE-CG2 4.49Å; M375-T378 WeakPolarHBondContact O-CB 3.25Å; M375-T378 WeakPolarHBondContact O-CG2 3.44Å; M375-T378 PolarHBondContact O-N 3.38Å; M375-T378 VanDerWaalsContact O-N 3.09Å; M375-T378 PolarHBondContact O-OG1 3.45Å; S376-T378 PolarHBondContact O-N 2.95Å; S376-T378 VanDerWaalsContact O-N 3.15Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L411 HydrophobicContact CG2-CD1 3.69Å; T378-L411 HydrophobicContact CG2-CD2 3.8Å; T378-L411 HydrophobicContact CG2-CG 4.23Å
379T95.7Very high95Very high88 Ų8850 Ų5054%0.5425%0.252SS..G310 helixtrans-79.8-13.9176.372.30000112.6S376 L377S376-T379 WeakPolarHBondContact O-CG2 3.47Å; S376-T379 PolarHBondContact O-N 2.84Å; S376-T379 PolarHBondContact O-OG1 3.12Å; L377-T379 PolarHBondContact O-N 3.27Å
380L95.2Very high94.4Very high14 Ų1452.2 Ų52.27%0.07327%0.272CS..SBendtrans-86.4143.6177.5-63.8176.6000110.8S355 A357 L360 L377 T378 L382S355-L380 WeakPolarHBondContact O-CD2 3.34Å; A357-L380 VanDerWaalsContact O-CD2 3.24Å; A357-L380 WeakPolarHBondContact O-CD2 3.43Å; L360-L380 HydrophobicContact CB-CD1 4.26Å; L360-L380 HydrophobicContact CD2-CD1 3.93Å; L377-L380 HydrophobicContact CD2-CD1 3.9Å; L377-L380 PolarHBondContact O-N 3Å; L377-L380 VanDerWaalsContact O-N 3.13Å; T378-L380 VanDerWaalsContact C-N 3.29Å; L380-L382 VanDerWaalsContact C-N 3.25Å; L380-L382 HydrophobicContact CB-CG 4.01Å; L380-L382 PolarHBondContact O-N 3.3Å
381H92.5Very high93.9Very high161 Ų16153.3 Ų53.375%0.74528%0.277SS*.  trans-90.855.9174.6-63.5-52.2000111.4K383H381-K383 PolarHBondContact O-N 3.1Å
382L95.8Very high93.5Very high23 Ų2356.5 Ų56.512%0.1230%0.301CS..  trans-58.8128.1-179.2-67171.1000110.8L360 H361 L363 L380 L385 L395L360-L382 HydrophobicContact CD2-CD2 4.29Å; L360-L382 HydrophobicContact CG-CD2 3.97Å; L360-L382 WeakPolarHBondContact O-CD2 3.2Å; H361-L382 CarbonylContact O-C 3.4Å; L363-L382 HydrophobicContact CB-CD2 4.13Å; L380-L382 VanDerWaalsContact C-N 3.25Å; L380-L382 HydrophobicContact CB-CG 4.01Å; L380-L382 PolarHBondContact O-N 3.3Å; L382-L385 HydrophobicContact CD1-CB 4.2Å; L382-L385 HydrophobicContact CD1-CD2 4.17Å; L382-L395 HydrophobicContact CB-CD2 4.24Å; L382-L395 WeakPolarHBondContact O-CD1 3.32Å
383K95.9Very high93.2Very high128 Ų12861.5 Ų61.556%0.55732%0.323SS*.SBendtrans-81.7-32.4168.5-65.8177.7-177.5170.60110.8H361 H381H361-K383 HydrophobicContact CB-CD 4.21Å; H361-K383 HydrophobicContact CB-CG 4.3Å; H361-K383 PolarHBondContact O-N 2.93Å; H381-K383 PolarHBondContact O-N 3.1Å
384A96.4Very high92.7Very high9 Ų964.5 Ų64.57%0.07434%0.343CS..EExtended strand (participates in β ladder)trans-143.9140.917400000112.1H361 V362 L363 P394H361-A384 PolarHBondContact O-N 3.35Å; V362-A384 WeakPolarHBondContact CA-O 3.39Å; V362-A384 HydrophobicContact CG1-CB 4.36Å; V362-A384 HydrophobicContact CG2-CB 4.2Å; L363-A384 PolarHBondContact N-O 3.13Å; A384-P394 CarbonylContact C-O 3.55Å; A384-P394 WeakPolarHBondContact CA-O 3.22Å; A384-P394 HydrophobicContact CB-CB 3.71Å
385L96.8Very high92.3Very high6 Ų667.7 Ų67.73%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-136.8104.2172.8175.953.5000108.7L363 V365 L373 L382 L387 Q391 P394 L395 F398L363-L385 HydrophobicContact CB-CD1 3.96Å; L363-L385 HydrophobicContact CD2-CD1 3.86Å; L363-L385 HydrophobicContact CG-CD1 3.87Å; L363-L385 CarbonylContact O-C 3.54Å; L363-L385 VanDerWaalsContact O-CA 3.27Å; L363-L385 WeakPolarHBondContact O-CA 3.25Å; V365-L385 HydrophobicContact CG2-CD1 4.47Å; L373-L385 HydrophobicContact CD1-CD2 3.79Å; L382-L385 HydrophobicContact CD1-CB 4.2Å; L382-L385 HydrophobicContact CD1-CD2 4.17Å; L385-L387 HydrophobicContact CD1-CD2 4.36Å; L385-L387 HydrophobicContact CG-CG 4.42Å; L385-Q391 PolarHBondContact O-NE2 3.18Å; L385-P394 CarbonylContact C-O 3.59Å; L385-P394 PolarHBondContact N-O 3.09Å; L385-L395 HydrophobicContact CB-CD2 4.04Å; L385-F398 HydrophobicContact CD2-CE2 3.79Å; L385-F398 HydrophobicContact CD2-CZ 3.48Å; L385-F398 VanDerWaalsContact CD2-CZ 3.48Å; L385-F398 HydrophobicContact CG-CZ 4.38Å
386W96.4Very high92Very high68 Ų6867 Ų6726%0.25836%0.356SS..EExtended strand (participates in β ladder)trans-95.5121.2-178.9-58.1110.9000110.4L363 D364 V365 S366 Q391 P394L363-W386 PolarHBondContact O-N 3.12Å; D364-W386 HydrophobicContact CB-CB 3.98Å; D364-W386 HydrophobicContact CB-CG 4.43Å; D364-W386 VanDerWaalsContact CG-CB 3.46Å; D364-W386 WeakPolarHBondContact OD1-CB 3.31Å; V365-W386 PolarHBondContact N-O 3.18Å; S366-W386 PolarHBondContact N-O 3.44Å; W386-Q391 HydrophobicContact CE3-CB 3.86Å; W386-Q391 HydrophobicContact CE3-CG 4Å; W386-Q391 HydrophobicContact CZ3-CB 3.95Å; W386-Q391 HydrophobicContact CZ3-CG 4.01Å; W386-Q391 WeakPolarHBondContact CZ3-O 3.09Å; W386-P394 HydrophobicContact CH2-CB 4.18Å; W386-P394 HydrophobicContact CZ2-CB 4.02Å
387L95.3Very high91.7Very high2 Ų271.8 Ų71.81%0.0138%0.384CS..SBendtrans-113.6-12.9178.9-69.2-178.5000112.7V365 L373 L385 Q391 L396 F398 V415 L416 Q418V365-L387 HydrophobicContact CG2-CD2 3.35Å; L373-L387 HydrophobicContact CD1-CD1 4.22Å; L373-L387 HydrophobicContact CD1-CD2 4.11Å; L373-L387 HydrophobicContact CD2-CD2 4.34Å; L385-L387 HydrophobicContact CD1-CD2 4.36Å; L385-L387 HydrophobicContact CG-CG 4.42Å; L387-Q391 VanDerWaalsContact N-OE1 3.09Å; L387-L396 HydrophobicContact CD1-CD1 4.17Å; L387-F398 HydrophobicContact CD1-CE1 3.87Å; L387-F398 HydrophobicContact CD1-CZ 3.98Å; L387-V415 HydrophobicContact CB-CG2 3.53Å; L387-V415 HydrophobicContact CD1-CG2 3.71Å; L387-V415 HydrophobicContact CG-CG2 4.27Å; L387-L416 HydrophobicContact CD1-CD1 4.02Å; L387-L416 HydrophobicContact CD1-CG 4.19Å; L387-Q418 PolarHBondContact O-NE2 3.22Å
388S91.4Very high91.5Very high44 Ų4474.2 Ų74.231%0.30839%0.394SS..SBendtrans-152.6146180-179.10000110.6N390 Q391S388-N390 VanDerWaalsContact C-N 3.28Å; S388-N390 PolarHBondContact O-N 2.95Å; S388-Q391 WeakPolarHBondContact O-CB 3.25Å; S388-Q391 PolarHBondContact O-N 2.95Å
389E83.7Confident91.5Very high122 Ų12276.7 Ų76.757%0.5740%0.4SS*.THydrogen-bonded Turntrans-60.8-34.3-179.6-61.3-166.8138.300113.4R343 Q391R343-E389 IonicContact CZ-OE1 2.82Å; R343-E389 IonicContact NH1-OE1 2.77Å; R343-E389 PolarHBondContact NH1-OE1 3.47Å; E389-Q391 VanDerWaalsContact C-N 3.31Å; E389-Q391 PolarHBondContact O-N 3Å
390N83Confident91.5Very high152 Ų15276.6 Ų76.681%0.81340%0.399SS*.THydrogen-bonded Turntrans-94.820.1-177.1-68-48.7000112.9S388 S392S388-N390 VanDerWaalsContact C-N 3.28Å; S388-N390 PolarHBondContact O-N 2.95Å; N390-S392 PolarHBondContact O-N 3Å
391Q87.5Confident91.4Very high23 Ų2380.4 Ų80.411%0.10742%0.42CS..  trans-70.4127.2179.6-174.4177.3-57.200110.2L385 W386 L387 S388 E389 K393 L396L385-Q391 PolarHBondContact O-NE2 3.18Å; W386-Q391 HydrophobicContact CE3-CB 3.86Å; W386-Q391 HydrophobicContact CE3-CG 4Å; W386-Q391 HydrophobicContact CZ3-CB 3.95Å; W386-Q391 HydrophobicContact CZ3-CG 4.01Å; W386-Q391 WeakPolarHBondContact CZ3-O 3.09Å; L387-Q391 VanDerWaalsContact N-OE1 3.09Å; S388-Q391 WeakPolarHBondContact O-CB 3.25Å; S388-Q391 PolarHBondContact O-N 2.95Å; E389-Q391 VanDerWaalsContact C-N 3.31Å; E389-Q391 PolarHBondContact O-N 3Å; Q391-K393 VanDerWaalsContact CG-O 3.26Å; Q391-K393 WeakPolarHBondContact CG-O 3.37Å; Q391-K393 PolarHBondContact NE2-O 2.99Å; Q391-L396 HydrophobicContact CG-CD1 4.47Å; Q391-L396 HydrophobicContact CG-CD2 4.3Å; Q391-L396 HydrophobicContact CG-CG 4.41Å
392S85.1Confident91.4Very high118 Ų11878.6 Ų78.683%0.82541%0.411SS*.SBendtrans-87.7-13.4-174.558.10000114.8N390N390-S392 PolarHBondContact O-N 3Å
393K89.3Confident91.1Very high138 Ų13877.8 Ų77.860%0.641%0.407SS*.SBendtrans-129.9143-178.3-66.2-176.7-179.1-179.70110.2Q391 L395Q391-K393 VanDerWaalsContact CG-O 3.26Å; Q391-K393 WeakPolarHBondContact CG-O 3.37Å; Q391-K393 PolarHBondContact NE2-O 2.99Å; K393-L395 VanDerWaalsContact C-N 3.26Å; K393-L395 PolarHBondContact O-N 3.25Å
394P87Confident90.5Very high63 Ų6377.5 Ų77.541%0.40942%0.419SS..SBendtrans-66.6-25.918026.3-34.5000113.2A384 L385 W386A384-P394 CarbonylContact C-O 3.55Å; A384-P394 WeakPolarHBondContact CA-O 3.22Å; A384-P394 HydrophobicContact CB-CB 3.71Å; L385-P394 CarbonylContact C-O 3.59Å; L385-P394 PolarHBondContact N-O 3.09Å; W386-P394 HydrophobicContact CH2-CB 4.18Å; W386-P394 HydrophobicContact CZ2-CB 4.02Å
395L89.3Confident90.1Very high82 Ų8284.5 Ų84.543%0.42946%0.455SS..SBendtrans-126.7136.3176.6-66.6170.5000111L382 L385 K393L382-L395 HydrophobicContact CB-CD2 4.24Å; L382-L395 WeakPolarHBondContact O-CD1 3.32Å; L385-L395 HydrophobicContact CB-CD2 4.04Å; K393-L395 VanDerWaalsContact C-N 3.26Å; K393-L395 PolarHBondContact O-N 3.25Å
396L88.4Confident89.8Confident42 Ų4287.3 Ų87.322%0.2248%0.475CS..PPolyproline II helixtrans-99.5158.9174.4-67.3172.8000111L387 Q391 F398 V415L387-L396 HydrophobicContact CD1-CD1 4.17Å; Q391-L396 HydrophobicContact CG-CD1 4.47Å; Q391-L396 HydrophobicContact CG-CD2 4.3Å; Q391-L396 HydrophobicContact CG-CG 4.41Å; L396-F398 HydrophobicContact CB-CE2 4.43Å; L396-F398 HydrophobicContact CB-CZ 4.39Å; L396-F398 WeakPolarHBondContact O-CD2 3.3Å; L396-V415 HydrophobicContact CD1-CG1 4.4Å; L396-V415 HydrophobicContact CD1-CG2 3.44Å; L396-V415 VanDerWaalsContact CD1-CG2 3.44Å
397T89.7Confident89.5Confident130 Ų13086 Ų8680%0.79848%0.482SS*.PPolyproline II helixtrans-84.7122.4170.3-52.10000109.3
398F93.4Very high89.4Confident57 Ų5791.9 Ų91.925%0.2551%0.51CS..PPolyproline II helixtrans-97.3151.7179.4-67.5-80.9000112.3L373 L385 L387 L396 L411 T412 C413 L416L373-F398 HydrophobicContact CD1-CE1 3.72Å; L373-F398 HydrophobicContact CD1-CZ 3.93Å; L385-F398 HydrophobicContact CD2-CE2 3.79Å; L385-F398 HydrophobicContact CD2-CZ 3.48Å; L385-F398 VanDerWaalsContact CD2-CZ 3.48Å; L385-F398 HydrophobicContact CG-CZ 4.38Å; L387-F398 HydrophobicContact CD1-CE1 3.87Å; L387-F398 HydrophobicContact CD1-CZ 3.98Å; L396-F398 HydrophobicContact CB-CE2 4.43Å; L396-F398 HydrophobicContact CB-CZ 4.39Å; L396-F398 WeakPolarHBondContact O-CD2 3.3Å; F398-L411 HydrophobicContact CB-CB 4.41Å; F398-L411 HydrophobicContact CB-CD2 3.96Å; F398-L411 HydrophobicContact CD1-CB 4.04Å; F398-L411 HydrophobicContact CG-CB 4.41Å; F398-T412 WeakPolarHBondContact CA-O 3.43Å; F398-C413 HydrophobicContact CD1-CB 3.89Å; F398-C413 HydrophobicContact CE1-CB 4.08Å; F398-L416 HydrophobicContact CE1-CD1 4.5Å
399Q94.2Very high89.5Confident140 Ų14097 Ų9765%0.65453%0.526SS*.EExtended strand (participates in β ladder)trans-115.2150.5169.7-61.7177.71200109L411 T412Q399-L411 WeakPolarHBondContact O-CA 3.37Å; Q399-T412 HydrophobicContact CB-CG2 4.2Å; Q399-T412 PolarHBondContact N-O 3.24Å; Q399-T412 PolarHBondContact O-N 3.37Å
400T94.7Very high90.2Very high87 Ų8791.5 Ų91.553%0.53450%0.501SS..EExtended strand (participates in β ladder)trans-87127.8171.8-55.60000109.3M375 K409 V410M375-T400 HydrophobicContact CE-CG2 4.48Å; M375-T400 HydrophobicContact SD-CG2 4.06Å; T400-K409 HydrophobicContact CG2-CB 4.11Å; T400-K409 HydrophobicContact CG2-CD 4.18Å; T400-K409 HydrophobicContact CG2-CG 4.26Å; T400-V410 WeakPolarHBondContact CA-O 3.41Å
401D93.8Very high90.8Very high93 Ų9384.8 Ų84.850%0.49747%0.465SS..EExtended strand (participates in β ladder)trans-126.8179.3173.6-153.4-10.5000109.5K409 V410 T412D401-K409 CarbonylContact O-C 3.58Å; D401-K409 WeakPolarHBondContact O-CA 3.45Å; D401-V410 HydrophobicContact CB-CG2 4.11Å; D401-V410 PolarHBondContact N-O 2.96Å; D401-V410 PolarHBondContact O-N 3.34Å; D401-T412 HydrophobicContact CB-CG2 3.88Å
402E93.4Very high91.1Very high123 Ų12385 Ų8558%0.57547%0.468SS*.EExtended strand (participates in β ladder)trans-119.3127.9177.1-166.1173.915700109.9P404 G407 E408E402-P404 WeakPolarHBondContact O-CD 3.38Å; E402-G407 WeakPolarHBondContact CG-O 3.48Å; E402-G407 WeakPolarHBondContact OE1-CA 3.47Å; E402-E408 WeakPolarHBondContact CA-O 3.24Å
403D89.3Confident91.5Very high7 Ų779.9 Ų79.94%0.03743%0.432CS..  trans-66.1116.8175.5176.127.5000109.6Y372 D405 S406 G407 E408 V410Y372-D403 HydrophobicContact CE1-CB 3.94Å; Y372-D403 WeakPolarHBondContact CE1-OD1 3.32Å; Y372-D403 PolarHBondContact OH-OD2 3.39Å; D403-D405 PolarHBondContact O-N 3.3Å; D403-D405 VanDerWaalsContact O-N 3.1Å; D403-S406 WeakPolarHBondContact CB-OG 3.2Å; D403-S406 VanDerWaalsContact CG-OG 3.28Å; D403-S406 PolarHBondContact O-N 2.78Å; D403-S406 WeakPolarHBondContact OD2-CB 3.4Å; D403-S406 PolarHBondContact OD2-OG 3.35Å; D403-G407 WeakPolarHBondContact O-CA 3.32Å; D403-G407 PolarHBondContact O-N 3.12Å; D403-E408 PolarHBondContact N-O 3.19Å; D403-V410 HydrophobicContact CB-CG1 4.01Å
404P83.5Confident91.6Very high122 Ų12279.8 Ų79.879%0.79244%0.443SS*.THydrogen-bonded Turntrans-62.8-23.8-172.323.6-34.5000113.7E402E402-P404 WeakPolarHBondContact O-CD 3.38Å
405D87.8Confident91.9Very high156 Ų15679 Ų7983%0.83444%0.436SS*.THydrogen-bonded Turntrans-84.6-36.2-179.6-67-37.3000112.8D403D403-D405 PolarHBondContact O-N 3.3Å; D403-D405 VanDerWaalsContact O-N 3.1Å
406S89.8Confident92.1Very high65 Ų6575.8 Ų75.846%0.45542%0.42SS..THydrogen-bonded Turntrans-109.5-19.9-172.566.10000114.7D403 E408D403-S406 WeakPolarHBondContact CB-OG 3.2Å; D403-S406 VanDerWaalsContact CG-OG 3.28Å; D403-S406 PolarHBondContact O-N 2.78Å; D403-S406 WeakPolarHBondContact OD2-CB 3.4Å; D403-S406 PolarHBondContact OD2-OG 3.35Å; S406-E408 PolarHBondContact O-N 3.15Å; S406-E408 PolarHBondContact OG-N 2.9Å
407G90.3Very high92.3Very high39 Ų3977.3 Ų77.340%0.40243%0.432SS..  trans727.7-170.700000113.9E402 D403E402-G407 WeakPolarHBondContact CG-O 3.48Å; E402-G407 WeakPolarHBondContact OE1-CA 3.47Å; D403-G407 WeakPolarHBondContact O-CA 3.32Å; D403-G407 PolarHBondContact O-N 3.12Å
408E92.6Very high92.5Very high127 Ų12772 Ų7259%0.59340%0.398SS*.  trans-76.9142.7179.1-68.1-169.7158.200111.1E402 D403 S406 V410E402-E408 WeakPolarHBondContact CA-O 3.24Å; D403-E408 PolarHBondContact N-O 3.19Å; S406-E408 PolarHBondContact O-N 3.15Å; S406-E408 PolarHBondContact OG-N 2.9Å; E408-V410 PolarHBondContact O-N 2.99Å
409K94.9Very high91.9Very high150 Ų15075.3 Ų75.365%0.65242%0.415SS*.EExtended strand (participates in β ladder)trans-67.5134.1170.9-68.9-175.7178.7-176.70109.7M375 T400 D401M375-K409 VanDerWaalsContact CG-C 3.43Å; M375-K409 HydrophobicContact CG-CB 3.81Å; M375-K409 WeakPolarHBondContact CG-O 3.11Å; T400-K409 HydrophobicContact CG2-CB 4.11Å; T400-K409 HydrophobicContact CG2-CD 4.18Å; T400-K409 HydrophobicContact CG2-CG 4.26Å; D401-K409 CarbonylContact O-C 3.58Å; D401-K409 WeakPolarHBondContact O-CA 3.45Å
410V96.7Very high90.6Very high7 Ų771 Ų714%0.04240%0.399CS..EExtended strand (participates in β ladder)trans-133.9161.7-178.8-62.30000111.3Y372 T400 D401 D403 E408Y372-V410 HydrophobicContact CD1-CB 4.47Å; Y372-V410 HydrophobicContact CD1-CG1 4.36Å; Y372-V410 HydrophobicContact CD1-CG2 4.17Å; Y372-V410 HydrophobicContact CD2-CB 3.76Å; Y372-V410 HydrophobicContact CD2-CG1 3.51Å; Y372-V410 HydrophobicContact CD2-CG2 4.34Å; Y372-V410 HydrophobicContact CE1-CG1 4.46Å; Y372-V410 HydrophobicContact CE2-CB 4.42Å; Y372-V410 HydrophobicContact CE2-CG1 3.65Å; Y372-V410 HydrophobicContact CG-CB 3.81Å; Y372-V410 HydrophobicContact CG-CG1 3.9Å; Y372-V410 HydrophobicContact CG-CG2 3.88Å; T400-V410 WeakPolarHBondContact CA-O 3.41Å; D401-V410 HydrophobicContact CB-CG2 4.11Å; D401-V410 PolarHBondContact N-O 2.96Å; D401-V410 PolarHBondContact O-N 3.34Å; D403-V410 HydrophobicContact CB-CG1 4.01Å; E408-V410 PolarHBondContact O-N 2.99Å
411L96.4Very high88.9Confident11 Ų1171.2 Ų71.26%0.05840%0.404CS..EExtended strand (participates in β ladder)trans-96.1128.9172.9-63.7169.9000109.8Y372 L373 M375 T378 F398 Q399Y372-L411 WeakPolarHBondContact CB-O 3.28Å; L373-L411 HydrophobicContact CB-CB 4.04Å; L373-L411 HydrophobicContact CB-CD1 4.45Å; L373-L411 PolarHBondContact N-O 2.82Å; L373-L411 PolarHBondContact O-N 3.05Å; M375-L411 HydrophobicContact CE-CD2 4.3Å; M375-L411 HydrophobicContact SD-CD2 3.47Å; M375-L411 WeakPolarHBondContact SD-CD2 3.18Å; M375-L411 HydrophobicContact SD-CG 3.72Å; T378-L411 HydrophobicContact CG2-CD1 3.69Å; T378-L411 HydrophobicContact CG2-CD2 3.8Å; T378-L411 HydrophobicContact CG2-CG 4.23Å; F398-L411 HydrophobicContact CB-CB 4.41Å; F398-L411 HydrophobicContact CB-CD2 3.96Å; F398-L411 HydrophobicContact CD1-CB 4.04Å; F398-L411 HydrophobicContact CG-CB 4.41Å; Q399-L411 WeakPolarHBondContact O-CA 3.37Å
412T94.8Very high86.6Confident28 Ų2873.5 Ų73.517%0.17242%0.416CS..EExtended strand (participates in β ladder)trans-126.8160.6172.4-167.30000111F398 Q399 D401F398-T412 WeakPolarHBondContact CA-O 3.43Å; Q399-T412 HydrophobicContact CB-CG2 4.2Å; Q399-T412 PolarHBondContact N-O 3.24Å; Q399-T412 PolarHBondContact O-N 3.37Å; D401-T412 HydrophobicContact CB-CG2 3.88Å
413C93.4Very high84.1Confident11 Ų1173.2 Ų73.27%0.07443%0.428CS..  trans-157.6179.2173.968.90000110.2F398 V415 L416F398-C413 HydrophobicContact CD1-CB 3.89Å; F398-C413 HydrophobicContact CE1-CB 4.08Å; C413-V415 PolarHBondContact O-N 3.17Å; C413-V415 WeakPolarHBondContact SG-CG2 3.17Å; C413-L416 PolarHBondContact O-N 3.06Å
414V91Very high82.1Confident136 Ų13675.9 Ų75.982%0.82446%0.457SS*.THydrogen-bonded Turntrans-57.1-24.3-175.953.20000114.9
415V92.1Very high80Confident45 Ų4580.8 Ų80.827%0.27346%0.461SS..THydrogen-bonded Turntrans-96.73.8179.2-60.20000113.6L387 L396 C413L387-V415 HydrophobicContact CB-CG2 3.53Å; L387-V415 HydrophobicContact CD1-CG2 3.71Å; L387-V415 HydrophobicContact CG-CG2 4.27Å; L396-V415 HydrophobicContact CD1-CG1 4.4Å; L396-V415 HydrophobicContact CD1-CG2 3.44Å; L396-V415 VanDerWaalsContact CD1-CG2 3.44Å; C413-V415 PolarHBondContact O-N 3.17Å; C413-V415 WeakPolarHBondContact SG-CG2 3.17Å
416L93.1Very high77.6Confident15 Ų1580.1 Ų80.18%0.07946%0.457CS..  trans-110.4142.5174.4-68.5165.4000109.8L370 L373 L387 F398 C413 Q418L370-L416 HydrophobicContact CB-CD2 4.06Å; L370-L416 VanDerWaalsContact O-CD2 3.26Å; L370-L416 WeakPolarHBondContact O-CD2 3.09Å; L373-L416 HydrophobicContact CG-CD1 4.17Å; L387-L416 HydrophobicContact CD1-CD1 4.02Å; L387-L416 HydrophobicContact CD1-CG 4.19Å; F398-L416 HydrophobicContact CE1-CD1 4.5Å; C413-L416 PolarHBondContact O-N 3.06Å; L416-Q418 HydrophobicContact CD2-CG 4.1Å
417P93.3Very high75.3Confident75 Ų7584.7 Ų84.749%0.48748%0.477SS..SBendcis-70.3142.2-2.631.4-37.1000112.2L370 P371 Q419L370-P417 CarbonylContact O-C 3.1Å; L370-P417 WeakPolarHBondContact O-CA 3.49Å; P371-P417 HydrophobicContact CB-CB 4.38Å; P417-Q419 PolarHBondContact O-N 3.08Å
418Q93.5Very high73Confident17 Ų1790.4 Ų90.48%0.07950%0.497CS..PPolyproline II helixtrans-63.6130.1172.1-71.9175.1-32.600109.7V365 N368 L370 L387 L416V365-Q418 PolarHBondContact O-NE2 3.24Å; N368-Q418 VanDerWaalsContact O-CB 3.3Å; N368-Q418 WeakPolarHBondContact O-CB 3.22Å; N368-Q418 PolarHBondContact O-OE1 3.29Å; L370-Q418 HydrophobicContact CB-CG 4.46Å; L370-Q418 VanDerWaalsContact CB-OE1 3.29Å; L370-Q418 VanDerWaalsContact CG-OE1 3.27Å; L370-Q418 VanDerWaalsContact N-OE1 3.07Å; L370-Q418 PolarHBondContact O-N 3Å; L387-Q418 PolarHBondContact O-NE2 3.22Å; L416-Q418 HydrophobicContact CD2-CG 4.1Å
419Q81.7Confident70.3Confident128 Ų12888.6 Ų88.660%0.59850%0.504SS*.PPolyproline II helixtrans-90.7147173-63.8-61.1-51.300109.5P417 S421P417-Q419 PolarHBondContact O-N 3.08Å; Q419-S421 PolarHBondContact O-N 2.72Å
420P67.7Low67.8Low50 Ų5091.8 Ų91.833%0.32551%0.512SS..PPolyproline II helixtrans-54.3137.1169.6-18.730.3000109.9D422P420-D422 PolarHBondContact O-N 3.36Å
421S57.1Low64.9Low91 Ų91100.8 Ų100.864%0.63655%0.551SS**  trans-70.968.9167.7420000109.6Q419 S423Q419-S421 PolarHBondContact O-N 2.72Å; S421-S423 PolarHBondContact O-N 3.07Å
422D47.1Very low62Low141 Ų141104.8 Ų104.875%0.75460%0.595SS**  trans-69.6127.2167.9-83-17.6000108.5P420 G424P420-D422 PolarHBondContact O-N 3.36Å; D422-G424 PolarHBondContact O-N 2.64Å
423S40.9Very low59.1Low116 Ų116107.5 Ų107.581%0.81162%0.62SS**SBendtrans-44.4119.9179.751.90000112.8S421S421-S423 PolarHBondContact O-N 3.07Å
424G46.1Very low56.3Low63 Ų63113.5 Ų113.565%0.64965%0.651SS**SBendtrans49.2102.4152.300000117.8D422D422-G424 PolarHBondContact O-N 2.64Å
425Y38.8Very low53.4Low225 Ų225117 Ų11788%0.88266%0.658SS**SBendtrans144.2-7.3134.9-86.4-78.2000116.5
426D38.7Very low50.5Low142 Ų142120.1 Ų120.176%0.75968%0.682SS**  trans-112.35.2-170.6-91.4-19.5000117.8L428 A429D426-L428 PolarHBondContact O-N 3.47Å; D426-A429 PolarHBondContact O-N 3.3Å
427N42.2Very low47.7Very low161 Ų161126.4 Ų126.486%0.86172%0.715SS**THydrogen-bonded Turntrans-79.76.4179-75.3-29.2000115.2
428L40.8Very low45Very low159 Ų159129.2 Ų129.283%0.83273%0.73SS**THydrogen-bonded Turntrans-86.1-8.3171.7-89.6153.6000113.7D426 R430D426-L428 PolarHBondContact O-N 3.47Å; L428-R430 PolarHBondContact O-N 3.17Å
429A35.3Very low42.2Very low89 Ų89136.6 Ų136.674%0.73677%0.77SS**THydrogen-bonded Turntrans-81.213.9-177.800000114.9D426D426-A429 PolarHBondContact O-N 3.3Å
430R43Very low39.9Very low218 Ų218133.8 Ų133.882%0.82378%0.776SS**THydrogen-bonded Turntrans-120.739.2177-93.9-171.2179.1-175.12114.5L428L428-R430 PolarHBondContact O-N 3.17Å
431F36.8Very low37.9Very low196 Ų196140.8 Ų140.886%0.8681%0.807SS**  trans-142.297.5148.9-83.6-82.1000108.2A433F431-A433 PolarHBondContact O-N 3.12Å
432G34.2Very low36.7Very low95 Ų95140.8 Ų140.898%0.97981%0.812SS**SBendtrans-69.470.4174.500000111.7
433A34.4Very low35.9Very low85 Ų85141.5 Ų141.570%0.70282%0.816SS**SBendtrans-175.352.1165.700000111.9F431F431-A433 PolarHBondContact O-N 3.12Å
434L33.8Very low35.3Very low137 Ų137145 Ų14572%0.71782%0.819SS**  trans-159.336163.7-136.882.5000115.1S436L434-S436 PolarHBondContact O-N 3.49Å
435E29.8Very low34.5Very low209 Ų209147.2 Ų147.298%0.97783%0.832SS**THydrogen-bonded Turntrans-7320.2-177.9-117.9-178.5-171.800115.2
436S33.2Very low34Very low111 Ų111148.6 Ų148.678%0.77684%0.835SS**THydrogen-bonded Turntrans-118.98.7-172.5-167.80000116.1L434L434-S436 PolarHBondContact O-N 3.49Å
437L33.9Very low33.4Very low147 Ų147149.1 Ų149.177%0.7784%0.838SS**SBendtrans-129.63.1-176.6-79.2163.6000116N439L437-N439 PolarHBondContact O-N 3.03Å
438V36.5Very low32.8Very low133 Ų133145.1 Ų145.181%0.80683%0.834SS**  trans-103.369.6178-168.80000109.9
439N33.3Very low32.2Very low172 Ų172146.7 Ų146.792%0.9284%0.835SS**SBendtrans-149.487.5161.4-105.9-11.9000108.5L437L437-N439 PolarHBondContact O-N 3.03Å
440G33.3Very low31.8Very low69 Ų69146.4 Ų146.471%0.71183%0.832SS**SBendtrans144.278.2171.100000112.4
441M27.5Very low31.3Very low198 Ų198143 Ų14398%0.97583%0.828SS**  trans174.394.6140.1-93.5162.3-167.500107.5
442A31.1Very low31Very low90 Ų90139.1 Ų139.174%0.74482%0.815SS**  trans-89.9152.616200000108.6
443D31Very low30.9Very low157 Ų157143.9 Ų143.984%0.8480%0.804SS**  trans69.992.2165.3-61.4-18.1000118
444E26.9Very low30.8Very low189 Ų189146.4 Ų146.488%0.88380%0.804SS**  -143.2126.7126.2-72.9-160.5161.300109.5W446E444-W446 PolarHBondContact O-N 3.26Å; E444-W446 VanDerWaalsContact O-N 3.1Å
445A30.7Very low30.8Very low110 Ų110142.6 Ų142.691%0.90979%0.789SS**  trans-66.3103.9179.200000110.3
446W27.5Very low31.1Very low254 Ų254136.5 Ų136.596%0.96277%0.769SS**  trans-87.6113.4166.7-101.3-4.5000110.1E444E444-W446 PolarHBondContact O-N 3.26Å; E444-W446 VanDerWaalsContact O-N 3.1Å
447D26.1Very low31.5Very low153 Ų153134.5 Ų134.582%0.81875%0.749SS**  trans-57.7130.1178.2-146.7-1000110.7K449D447-K449 PolarHBondContact O-N 2.7Å
448G29.4Very low31.6Very low76 Ų76134 Ų13478%0.78474%0.743SS**  trans-73.655.5-170.200000114.9A450G448-A450 VanDerWaalsContact C-N 3.27Å; G448-A450 PolarHBondContact O-N 3.1Å; G448-A450 VanDerWaalsContact O-N 3.09Å
449K27.8Very low31.6Very low193 Ų193132 Ų13284%0.83972%0.723SS**  trans-79.981.6162.3-79.2-174.2177.4-179.20108.9D447 M451D447-K449 PolarHBondContact O-N 2.7Å; K449-M451 PolarHBondContact O-N 3.09Å
450A28.8Very low31.5Very low82 Ų82131.7 Ų131.768%0.67872%0.721SS**  trans-52.2127.5164.100000108.7G448 N452G448-A450 VanDerWaalsContact C-N 3.27Å; G448-A450 PolarHBondContact O-N 3.1Å; G448-A450 VanDerWaalsContact O-N 3.09Å; A450-N452 PolarHBondContact O-N 3.35Å
451M31.7Very low31.4Very low148 Ų148136 Ų13673%0.72973%0.727SS**  trans-64.694.9177-72.2-162.9164.300109.6K449 R453K449-M451 PolarHBondContact O-N 3.09Å; M451-R453 PolarHBondContact O-N 3.07Å
452N30.3Very low31.6Very low113 Ų113136 Ų13660%0.60473%0.725SS**  trans-70.675.5165.3-86-10.3000109.7R321 A450 I454R321-N452 PolarHBondContact NH1-OD1 3.13Å; A450-N452 PolarHBondContact O-N 3.35Å; N452-I454 PolarHBondContact O-N 3.5Å
453R31.4Very low31.6Very low196 Ų196134.7 Ų134.774%0.7472%0.72SS**  trans-80.399.9160.2-66.6-171-159.41777.7107.2M451 S455M451-R453 PolarHBondContact O-N 3.07Å; R453-S455 PolarHBondContact O-N 3.33Å; R453-S455 VanDerWaalsContact O-N 3.12Å
454I33.6Very low31.4Very low138 Ų138136.9 Ų136.971%0.70873%0.725SS**  trans-66.9104.4162.5-61.4168.6000105.4N452 S456N452-I454 PolarHBondContact O-N 3.5Å; I454-S456 VanDerWaalsContact C-N 3.35Å; I454-S456 PolarHBondContact O-N 2.73Å; I454-S456 VanDerWaalsContact O-N 3.1Å
455S33.5Very low31.8Very low56 Ų56135.2 Ų135.239%0.39272%0.722SS.*  trans-8083.7176.142.10000109.4R453 I457R453-S455 PolarHBondContact O-N 3.33Å; R453-S455 VanDerWaalsContact O-N 3.12Å; S455-I457 PolarHBondContact O-N 3.26Å
456S35.8Very low32Very low81 Ų81137.3 Ų137.357%0.56672%0.719SS**  trans-79.5101.6160.348.60000108.3I454 H458I454-S456 VanDerWaalsContact C-N 3.35Å; I454-S456 PolarHBondContact O-N 2.73Å; I454-S456 VanDerWaalsContact O-N 3.1Å; S456-H458 PolarHBondContact O-N 3.07Å
457I42.1Very low32Very low69 Ų69133 Ų13335%0.35471%0.714SS.*  trans-82.6102.5172.4-59.9175.1000106.9V362 S455 F459V362-I457 HydrophobicContact CG1-CD1 4.08Å; S455-I457 PolarHBondContact O-N 3.26Å; I457-F459 HydrophobicContact CG2-CZ 4.49Å
458H34.5Very low32.4Very low137 Ų137133.6 Ų133.663%0.63472%0.718SS**  trans-98.7125.9167.5-72.9-76.8000109.1S456S456-H458 PolarHBondContact O-N 3.07Å
459F38Very low32.5Very low92 Ų92134.9 Ų134.940%0.40471%0.706SS.*  trans-76.6122.8165.1-63.1-77.7000107.8N338 V339 V362 I457 D461N338-F459 WeakPolarHBondContact OD1-CE2 3.46Å; V339-F459 HydrophobicContact CG2-CD2 4.36Å; V339-F459 HydrophobicContact CG2-CE2 3.41Å; V339-F459 VanDerWaalsContact CG2-CE2 3.41Å; V339-F459 HydrophobicContact CG2-CZ 4.09Å; V362-F459 HydrophobicContact CG2-CE1 4.37Å; V362-F459 HydrophobicContact CG2-CZ 3.69Å; I457-F459 HydrophobicContact CG2-CZ 4.49Å; F459-D461 PolarHBondContact O-N 2.99Å
460L29.9Very low32.7Very low164 Ų164131.9 Ų131.986%0.85971%0.707SS**  trans-72.6111.2163.9-72.9160.8000106.5E462L460-E462 PolarHBondContact O-N 3.33Å
461D32.2Very low33Very low160 Ų160129.8 Ų129.886%0.85669%0.693SS**  trans-74.2109.6164.7-96.7-22.5000107.7F459 G463F459-D461 PolarHBondContact O-N 2.99Å; D461-G463 PolarHBondContact O-N 3.01Å
462E31.1Very low33.3Very low199 Ų199127.5 Ų127.593%0.9369%0.688SS**  trans-77.190.1165.9-74.1-175.316400108L460L460-E462 PolarHBondContact O-N 3.33Å
463G30.7Very low33.9Very low62 Ų62126.6 Ų126.664%0.63968%0.682SS**  trans171.4104.8171.700000116.3D461D461-G463 PolarHBondContact O-N 3.01Å
464E28Very low34.9Very low202 Ų202124.9 Ų124.994%0.94469%0.687SS**  trans75.5116.4159.3-60.9-174.217100118.6
465D35.2Very low36.5Very low154 Ų154121.5 Ų121.582%0.82467%0.666SS**  trans-61.2154.5170.2-66.3-56.2000112.5
466D34.1Very low38Very low155 Ų155125.1 Ų125.183%0.82967%0.67SS**  trans65.273.7161.9-61.1-23.6000117.2
467D27.7Very low39.1Very low163 Ų163125.8 Ų125.887%0.87268%0.681SS**  trans-123.9115.4139.4-89.5-36.6000108D469D467-D469 PolarHBondContact O-N 3.1Å
468D34.2Very low40.1Very low166 Ų166123.5 Ų123.589%0.88867%0.67SS**  trans-56.190.8163.4-80.2-47.4000108.1P470D468-P470 WeakPolarHBondContact O-CD 3.23Å
469D32.5Very low41.1Very low102 Ų102117.6 Ų117.655%0.54564%0.644SS.*  trans-67.5115.3164.1-168.210.8000106.5D467 G471 T472D467-D469 PolarHBondContact O-N 3.1Å; D469-G471 PolarHBondContact O-N 2.89Å; D469-T472 HydrophobicContact CB-CG2 4.35Å; D469-T472 PolarHBondContact O-N 3.15Å; D469-T472 VanDerWaalsContact O-N 3.07Å; D469-T472 PolarHBondContact O-OG1 3.04Å
470P32.2Very low41.9Very low130 Ų130116 Ų11684%0.84464%0.638SS**THydrogen-bonded Turntrans-63.92.4-179.225.2-33.2000113.6D468D468-P470 WeakPolarHBondContact O-CD 3.23Å
471G35.3Very low43.1Very low39 Ų39112 Ų11240%0.40262%0.622SS.*THydrogen-bonded Turntrans-105.2-1.9174.100000116.2D469 L473D469-G471 PolarHBondContact O-N 2.89Å; G471-L473 PolarHBondContact O-N 2.95Å
472T36.1Very low43.8Very low99 Ų99106.8 Ų106.861%0.60761%0.606SS**  trans-75.3102.9179.233.90000112.6D469 L474D469-T472 HydrophobicContact CB-CG2 4.35Å; D469-T472 PolarHBondContact O-N 3.15Å; D469-T472 VanDerWaalsContact O-N 3.07Å; D469-T472 PolarHBondContact O-OG1 3.04Å; T472-L474 PolarHBondContact O-N 3.39Å
473L43.9Very low44.4Very low94 Ų94105.4 Ų105.449%0.49260%0.599SS.*  trans-41.3111.4168.2-65.1155.1000112.6G471G471-L473 PolarHBondContact O-N 2.95Å
474L52.2Low45.4Very low161 Ų161107.1 Ų107.184%0.84359%0.593SS**  trans-119.471.7163.1-72.5170.6000109.6T472 R476T472-L474 PolarHBondContact O-N 3.39Å; L474-R476 PolarHBondContact O-N 3.13Å
475R66.7Low46.6Very low67 Ų67100.1 Ų100.125%0.25356%0.56SS.*PPolyproline II helixtrans-62.1126.2163.7-170.1-178.6-167161.117.5108.1R159 D180 W203 D205 A477R159-R475 VanDerWaalsContact CZ-NH2 3.25Å; D180-R475 IonicContact OD1-CZ 3.82Å; D180-R475 IonicContact OD1-NH2 3.49Å; D180-R475 PolarHBondContact OD1-NH2 2.98Å; D180-R475 IonicContact OD2-CZ 2.66Å; D180-R475 IonicContact OD2-NE 2.95Å; D180-R475 PolarHBondContact OD2-NE 3.21Å; D180-R475 IonicContact OD2-NH2 3.23Å; D180-R475 PolarHBondContact OD2-NH2 3.02Å; W203-R475 VanDerWaalsContact CB-NH2 3.29Å; W203-R475 HydrophobicContact CZ2-CB 4.15Å; W203-R475 HydrophobicContact CZ2-CG 4.29Å; D205-R475 IonicContact OD1-CZ 2.75Å; D205-R475 VanDerWaalsContact OD1-CZ 3.26Å; D205-R475 IonicContact OD1-NH1 3.79Å; D205-R475 PolarHBondContact OD1-NH1 3.47Å; D205-R475 IonicContact OD1-NH2 2.74Å; D205-R475 PolarHBondContact OD1-NH2 3.07Å; D205-R475 IonicContact OD2-NH1 2.84Å; D205-R475 PolarHBondContact OD2-NH1 3.12Å; D205-R475 IonicContact OD2-NH2 2.7Å; R475-A477 PolarHBondContact O-N 3Å
476R65.1Low47.4Very low131 Ų13197.6 Ų97.649%0.49455%0.55SS.*PPolyproline II helixtrans-65136.4179.1-62-162.5-172.7144.8-9.1110.1E157 L474 T478E157-R476 WeakPolarHBondContact OE1-CD 3.24Å; E157-R476 IonicContact OE1-CZ 2.7Å; E157-R476 IonicContact OE1-NE 3.8Å; E157-R476 PolarHBondContact OE1-NE 2.92Å; E157-R476 IonicContact OE1-NH1 3.38Å; E157-R476 PolarHBondContact OE1-NH1 2.93Å; L474-R476 PolarHBondContact O-N 3.13Å; R476-T478 PolarHBondContact O-N 3.1Å
477A59.1Low48.3Very low96 Ų9696.7 Ų96.779%0.79354%0.542SS*.PPolyproline II helixtrans-65.8132.9176.900000110R475R475-A477 PolarHBondContact O-N 3Å
478T63Low49.8Very low20 Ų2091.7 Ų91.712%0.12351%0.513CS..PPolyproline II helixtrans-71.1156.9173.652.30000110.8N136 R159 E160 R476 H480N136-T478 HydrophobicContact CB-CG2 4.36Å; R159-T478 HydrophobicContact CB-CG2 4.12Å; R159-T478 VanDerWaalsContact CD-CG2 3.49Å; R159-T478 HydrophobicContact CG-CG2 3.75Å; E160-T478 WeakPolarHBondContact OE1-CB 3.44Å; E160-T478 WeakPolarHBondContact OE1-CG2 3.12Å; E160-T478 PolarHBondContact OE1-OG1 3.37Å; R476-T478 PolarHBondContact O-N 3.1Å; T478-H480 PolarHBondContact O-N 3.07Å; T478-H480 VanDerWaalsContact O-N 3.11Å; T478-H480 PolarHBondContact OG1-O 3.02Å
479P55.6Low50.8Low13 Ų1389.1 Ų89.18%0.08449%0.494CS..SBendtrans-56.6-29.3-179.2-2936.4000114.8R91R91-P479 HydrophobicContact CG-CB 4.14Å; R91-P479 VanDerWaalsContact CZ-CA 3.48Å; R91-P479 VanDerWaalsContact CZ-O 3.28Å; R91-P479 PolarHBondContact NH1-O 3.32Å; R91-P479 PolarHBondContact NH2-O 3.01Å; R91-P479 VanDerWaalsContact NH2-O 3.1Å
480H56.2Low51.9Low59 Ų5987.1 Ų87.127%0.27349%0.492SS..SBendtrans-127.8111.3179.8-62.5-82.9000111.1D137 T478D137-H480 IonicContact OD2-CD2 3.04Å; D137-H480 PolarHBondContact OD2-CD2 3.27Å; D137-H480 IonicContact OD2-CG 3.34Å; D137-H480 IonicContact OD2-NE2 3.98Å; T478-H480 PolarHBondContact O-N 3.07Å; T478-H480 VanDerWaalsContact O-N 3.11Å; T478-H480 PolarHBondContact OG1-O 3.02Å
481P53.4Low53.1Low81 Ų8183.7 Ų83.753%0.52647%0.474SS..  trans-57.2145.4171.1-23.230.7000112.2E483 L484P481-E483 PolarHBondContact O-N 3.08Å; P481-L484 PolarHBondContact O-N 3.17Å
482G47.2Very low54.4Low50 Ų5085.4 Ų85.452%0.51547%0.472SS..Hα-helixtrans-53.1-22.4-168.300000117.9K485G482-K485 VanDerWaalsContact O-CB 3.31Å; G482-K485 WeakPolarHBondContact O-CB 3.09Å; G482-K485 PolarHBondContact O-N 3.31Å
483E45Very low55.8Low169 Ų16984.7 Ų84.779%0.7946%0.464SS*.Hα-helixtrans-72.7-36.1174.3-65.6-175.1171.300112.7P481 K485 T486P481-E483 PolarHBondContact O-N 3.08Å; E483-K485 PolarHBondContact O-N 3.06Å; E483-T486 PolarHBondContact O-OG1 3.09Å; E483-T486 VanDerWaalsContact O-OG1 3.13Å
484L51.2Low56.8Low99 Ų9985.3 Ų85.352%0.51847%0.467SS..Hα-helixtrans-72.4-20.5174-70.5163.3000111.5P481 K488P481-L484 PolarHBondContact O-N 3.17Å; L484-K488 WeakPolarHBondContact O-CB 3.48Å; L484-K488 PolarHBondContact O-N 3.24Å
485K53Low57.4Low55 Ų5586.1 Ų86.124%0.23946%0.459CS..Hα-helixtrans-72.9-41.7179.8-176.4-174.4177-175.80113.6E160 N183 G482 E483 M487 K488 K489E160-K485 HydrophobicContact CG-CD 4.31Å; N183-K485 PolarHBondContact OD1-NZ 3.17Å; G482-K485 VanDerWaalsContact O-CB 3.31Å; G482-K485 WeakPolarHBondContact O-CB 3.09Å; G482-K485 PolarHBondContact O-N 3.31Å; E483-K485 PolarHBondContact O-N 3.06Å; K485-M487 PolarHBondContact O-N 2.99Å; K485-K488 PolarHBondContact O-N 3.12Å; K485-K489 WeakPolarHBondContact O-CB 3.4Å; K485-K489 PolarHBondContact O-N 2.94Å
486T51.7Low57.2Low101 Ų10187.6 Ų87.662%0.6247%0.472SS*.Hα-helixtrans-63.4-36.8174.235.40000111.1E483 A490E483-T486 PolarHBondContact O-OG1 3.09Å; E483-T486 VanDerWaalsContact O-OG1 3.13Å; T486-A490 WeakPolarHBondContact O-CB 3.18Å; T486-A490 PolarHBondContact O-N 2.83Å
487M53.3Low57.2Low136 Ų13686.6 Ų86.667%0.6748%0.477SS*.Hα-helixtrans-68.5-41.9174.1-59.1-172.580.500112.1K485 A491K485-M487 PolarHBondContact O-N 2.99Å; M487-A491 VanDerWaalsContact O-CB 3.29Å; M487-A491 WeakPolarHBondContact O-CB 3.5Å; M487-A491 PolarHBondContact O-N 3.41Å
488K58.9Low57.4Low57 Ų5786.6 Ų86.625%0.24846%0.463CS..Hα-helixtrans-62.6-52174.8-174.9-174.9175.9-171.30111.9D137 L484 K485 A490 A491 E492D137-K488 IonicContact OD1-NZ 2.88Å; D137-K488 PolarHBondContact OD1-NZ 3.06Å; D137-K488 IonicContact OD2-NZ 2.87Å; D137-K488 PolarHBondContact OD2-NZ 2.84Å; L484-K488 WeakPolarHBondContact O-CB 3.48Å; L484-K488 PolarHBondContact O-N 3.24Å; K485-K488 PolarHBondContact O-N 3.12Å; K488-A490 VanDerWaalsContact C-N 3.32Å; K488-A490 PolarHBondContact O-N 3.01Å; K488-A491 CarbonylContact O-C 3.31Å; K488-A491 WeakPolarHBondContact O-CA 3.3Å; K488-A491 WeakPolarHBondContact O-CB 3.25Å; K488-A491 PolarHBondContact O-N 2.79Å; K488-E492 WeakPolarHBondContact CE-OE1 3.31Å; K488-E492 HydrophobicContact CG-CG 4.44Å; K488-E492 WeakPolarHBondContact O-CG 3.24Å; K488-E492 PolarHBondContact O-N 3.44Å
489K56.4Low57.3Low113 Ų11389.8 Ų89.849%0.49148%0.479SS..Hα-helixtrans-60.5-39.7178.4-169.8170.9-175.8169.20111.6K485 N493K485-K489 WeakPolarHBondContact O-CB 3.4Å; K485-K489 PolarHBondContact O-N 2.94Å; K489-N493 VanDerWaalsContact O-CB 3.31Å; K489-N493 WeakPolarHBondContact O-CB 3.23Å; K489-N493 PolarHBondContact O-N 3.46Å; K489-N493 PolarHBondContact O-ND2 3.28Å
490A54.3Low57.6Low60 Ų6092 Ų9250%0.49650%0.498SS..Hα-helixtrans-64-41.3172.800000112.2T486 K488 L494T486-A490 WeakPolarHBondContact O-CB 3.18Å; T486-A490 PolarHBondContact O-N 2.83Å; K488-A490 VanDerWaalsContact C-N 3.32Å; K488-A490 PolarHBondContact O-N 3.01Å; A490-L494 VanDerWaalsContact O-CB 3.27Å; A490-L494 WeakPolarHBondContact O-CB 3.47Å; A490-L494 PolarHBondContact O-N 2.88Å
491A57.8Low57.9Low58 Ų5891.6 Ų91.648%0.47951%0.506SS..Hα-helixtrans-68.6-39177.500000112.8M487 K488 L494 R495M487-A491 VanDerWaalsContact O-CB 3.29Å; M487-A491 WeakPolarHBondContact O-CB 3.5Å; M487-A491 PolarHBondContact O-N 3.41Å; K488-A491 CarbonylContact O-C 3.31Å; K488-A491 WeakPolarHBondContact O-CA 3.3Å; K488-A491 WeakPolarHBondContact O-CB 3.25Å; K488-A491 PolarHBondContact O-N 2.79Å; A491-L494 PolarHBondContact O-N 3.4Å; A491-R495 VanDerWaalsContact O-CB 3.31Å; A491-R495 WeakPolarHBondContact O-CB 3.11Å; A491-R495 PolarHBondContact O-N 2.72Å
492E62.9Low58.4Low74 Ų7494.4 Ų94.435%0.34651%0.509SS..Hα-helixtrans-69-43.5176.4-75.2175.6167.800111.9K488 L494 R495 N496K488-E492 WeakPolarHBondContact CE-OE1 3.31Å; K488-E492 HydrophobicContact CG-CG 4.44Å; K488-E492 WeakPolarHBondContact O-CG 3.24Å; K488-E492 PolarHBondContact O-N 3.44Å; E492-L494 VanDerWaalsContact C-N 3.34Å; E492-L494 PolarHBondContact O-N 3.25Å; E492-R495 PolarHBondContact O-N 2.51Å; E492-N496 WeakPolarHBondContact O-CB 3.19Å; E492-N496 VanDerWaalsContact O-CG 3.29Å; E492-N496 PolarHBondContact O-N 3.28Å; E492-N496 PolarHBondContact O-ND2 3.38Å
493N65.1Low58.6Low84 Ų8493.8 Ų93.845%0.44950%0.503SS..Hα-helixtrans-59.9-46172.7-74-14.6000111K489 R495 N496 D497K489-N493 VanDerWaalsContact O-CB 3.31Å; K489-N493 WeakPolarHBondContact O-CB 3.23Å; K489-N493 PolarHBondContact O-N 3.46Å; K489-N493 PolarHBondContact O-ND2 3.28Å; N493-R495 VanDerWaalsContact C-N 3.28Å; N493-R495 PolarHBondContact O-N 3.1Å; N493-N496 PolarHBondContact O-N 3.41Å; N493-D497 WeakPolarHBondContact O-CB 3.34Å; N493-D497 VanDerWaalsContact O-CG 3.28Å; N493-D497 PolarHBondContact O-N 3Å
494L64.3Low59.1Low108 Ų10891.4 Ų91.457%0.56550%0.495SS*.Hα-helixtrans-59.8-39.5175.3-173.970.8000112A490 A491 E492 L498A490-L494 VanDerWaalsContact O-CB 3.27Å; A490-L494 WeakPolarHBondContact O-CB 3.47Å; A490-L494 PolarHBondContact O-N 2.88Å; A491-L494 PolarHBondContact O-N 3.4Å; E492-L494 VanDerWaalsContact C-N 3.34Å; E492-L494 PolarHBondContact O-N 3.25Å; L494-L498 HydrophobicContact CG-CD1 4.27Å; L494-L498 WeakPolarHBondContact O-CB 3.43Å; L494-L498 WeakPolarHBondContact O-CD1 3.28Å; L494-L498 VanDerWaalsContact O-CG 3.27Å; L494-L498 WeakPolarHBondContact O-CG 3.32Å; L494-L498 PolarHBondContact O-N 3.43Å
495R65.3Low59.2Low177 Ų17791.5 Ų91.567%0.66850%0.496SS*.Hα-helixtrans-68.3-40.3177.2-178.6167.8169.8166.5-6.2112A491 E492 N493 L498 N499A491-R495 VanDerWaalsContact O-CB 3.31Å; A491-R495 WeakPolarHBondContact O-CB 3.11Å; A491-R495 PolarHBondContact O-N 2.72Å; E492-R495 PolarHBondContact O-N 2.51Å; N493-R495 VanDerWaalsContact C-N 3.28Å; N493-R495 PolarHBondContact O-N 3.1Å; R495-L498 PolarHBondContact O-N 3Å; R495-N499 WeakPolarHBondContact O-CB 3.09Å; R495-N499 VanDerWaalsContact O-CG 3.27Å; R495-N499 PolarHBondContact O-N 3.22Å; R495-N499 PolarHBondContact O-ND2 2.68Å
496N61.3Low59.2Low99 Ų9992.2 Ų92.253%0.52951%0.508SS..Hα-helixtrans-65.9-41.6175.6-72.3-21.7000111.3E492 N493 N499 A500E492-N496 WeakPolarHBondContact O-CB 3.19Å; E492-N496 VanDerWaalsContact O-CG 3.29Å; E492-N496 PolarHBondContact O-N 3.28Å; E492-N496 PolarHBondContact O-ND2 3.38Å; N493-N496 PolarHBondContact O-N 3.41Å; N496-N499 PolarHBondContact O-N 3.45Å; N496-A500 WeakPolarHBondContact O-CB 3.28Å; N496-A500 PolarHBondContact O-N 3.41Å
497D66.9Low59.1Low109 Ų10992.2 Ų92.258%0.58350%0.504SS*.Hα-helixtrans-63.3-42.3174.7-71.4-17.4000111.8N493 N499 A500 A501N493-D497 WeakPolarHBondContact O-CB 3.34Å; N493-D497 VanDerWaalsContact O-CG 3.28Å; N493-D497 PolarHBondContact O-N 3Å; D497-N499 VanDerWaalsContact C-N 3.33Å; D497-N499 PolarHBondContact O-N 2.88Å; D497-A500 PolarHBondContact O-N 3.07Å; D497-A501 WeakPolarHBondContact O-CB 3.39Å; D497-A501 PolarHBondContact O-N 3.09Å
498L62.4Low58.9Low96 Ų9692.5 Ų92.550%0.50350%0.501SS..Hα-helixtrans-62.7-38.9174.4-79.8164.1000112.3L494 R495 K502L494-L498 HydrophobicContact CG-CD1 4.27Å; L494-L498 WeakPolarHBondContact O-CB 3.43Å; L494-L498 WeakPolarHBondContact O-CD1 3.28Å; L494-L498 VanDerWaalsContact O-CG 3.27Å; L494-L498 WeakPolarHBondContact O-CG 3.32Å; L494-L498 PolarHBondContact O-N 3.43Å; R495-L498 PolarHBondContact O-N 3Å; L498-K502 WeakPolarHBondContact O-CG 3.27Å; L498-K502 PolarHBondContact O-N 3.27Å; L498-K502 VanDerWaalsContact O-N 3.09Å
499N61.3Low58.3Low88 Ų8895 Ų9547%0.47152%0.518SS..Hα-helixtrans-71.2-39.3176.8-73.1-25.3000111.8R495 N496 D497 K502 G503R495-N499 WeakPolarHBondContact O-CB 3.09Å; R495-N499 VanDerWaalsContact O-CG 3.27Å; R495-N499 PolarHBondContact O-N 3.22Å; R495-N499 PolarHBondContact O-ND2 2.68Å; N496-N499 PolarHBondContact O-N 3.45Å; D497-N499 VanDerWaalsContact C-N 3.33Å; D497-N499 PolarHBondContact O-N 2.88Å; N499-K502 PolarHBondContact O-N 3.18Å; N499-G503 PolarHBondContact O-N 3.3Å
500A61.6Low57.8Low58 Ų5896.5 Ų96.548%0.47953%0.526SS..Hα-helixtrans-63.6-41.2173.800000111.8N496 D497 K502 G503 L504N496-A500 WeakPolarHBondContact O-CB 3.28Å; N496-A500 PolarHBondContact O-N 3.41Å; D497-A500 PolarHBondContact O-N 3.07Å; A500-K502 PolarHBondContact O-N 3.36Å; A500-G503 PolarHBondContact O-N 3.26Å; A500-L504 PolarHBondContact O-N 3.03Å; A500-L504 VanDerWaalsContact O-N 3.12Å
501A62.6Low57.4Low52 Ų5298.8 Ų98.843%0.4353%0.534SS..Hα-helixtrans-62.2-4217500000112.2D497 G503 L504 D505D497-A501 WeakPolarHBondContact O-CB 3.39Å; D497-A501 PolarHBondContact O-N 3.09Å; A501-G503 PolarHBondContact O-N 3.01Å; A501-L504 PolarHBondContact O-N 2.57Å; A501-D505 PolarHBondContact O-N 3.15Å
502K64.5Low56.8Low140 Ų140101.7 Ų101.761%0.60954%0.541SS*.Hα-helixtrans-65-36.5174.8-76176.6-179.7176.70112.9L498 N499 A500 L504 D505 S506L498-K502 WeakPolarHBondContact O-CG 3.27Å; L498-K502 PolarHBondContact O-N 3.27Å; L498-K502 VanDerWaalsContact O-N 3.09Å; N499-K502 PolarHBondContact O-N 3.18Å; A500-K502 PolarHBondContact O-N 3.36Å; K502-L504 VanDerWaalsContact C-N 3.34Å; K502-D505 PolarHBondContact O-N 3.09Å; K502-S506 PolarHBondContact O-N 3.01Å; K502-S506 VanDerWaalsContact O-N 3.1Å; K502-S506 PolarHBondContact O-OG 2.93Å
503G50.1Low55.9Low36 Ų36105.1 Ų105.137%0.37156%0.562SS.*Hα-helixtrans-63.6-37.3174.400000113.1N499 A500 A501 S506 N507N499-G503 PolarHBondContact O-N 3.3Å; A500-G503 PolarHBondContact O-N 3.26Å; A501-G503 PolarHBondContact O-N 3.01Å; G503-S506 WeakPolarHBondContact O-CB 3.39Å; G503-S506 PolarHBondContact O-N 2.82Å; G503-N507 PolarHBondContact O-N 2.88Å
504L55.1Low54.9Low120 Ų120105.3 Ų105.363%0.62858%0.575SS**Hα-helixtrans-70.8-35.9177.4-74.3162.6000113.3A500 A501 K502 K508A500-L504 PolarHBondContact O-N 3.03Å; A500-L504 VanDerWaalsContact O-N 3.12Å; A501-L504 PolarHBondContact O-N 2.57Å; K502-L504 VanDerWaalsContact C-N 3.34Å; L504-K508 PolarHBondContact O-N 3.05Å
505D53.7Low53.9Low101 Ų101103.8 Ų103.854%0.5458%0.578SS.*Hα-helixtrans-72.3-29.9174.4-85.6-15.9000112.5A501 K502 K508 N509A501-D505 PolarHBondContact O-N 3.15Å; K502-D505 PolarHBondContact O-N 3.09Å; D505-K508 PolarHBondContact O-N 3.2Å; D505-N509 PolarHBondContact O-N 2.65Å
506S53.5Low52.8Low70 Ų70103.3 Ų103.349%0.4959%0.589SS.*Hα-helixtrans-64.2-43.8173.8-51.60000111.3K502 G503 K508 N509 E510K502-S506 PolarHBondContact O-N 3.01Å; K502-S506 VanDerWaalsContact O-N 3.1Å; K502-S506 PolarHBondContact O-OG 2.93Å; G503-S506 WeakPolarHBondContact O-CB 3.39Å; G503-S506 PolarHBondContact O-N 2.82Å; S506-K508 PolarHBondContact O-N 3.33Å; S506-N509 PolarHBondContact O-N 3.21Å; S506-E510 PolarHBondContact O-N 2.85Å
507N49.2Very low52Low101 Ų101101.9 Ų101.954%0.5460%0.597SS.*Hα-helixtrans-69.1-28.5177.7-83.5-8.7000113.5G503 N509 V511G503-N507 PolarHBondContact O-N 2.88Å; N507-N509 VanDerWaalsContact C-N 3.33Å; N507-V511 WeakPolarHBondContact O-CG2 3.36Å; N507-V511 PolarHBondContact O-N 3.4Å
508K50Low50.7Low141 Ų141102.8 Ų102.861%0.61361%0.607SS**Hα-helixtrans-69.3-30.4173.6-85.1-179.5177.7171.40113L504 D505 S506 N512L504-K508 PolarHBondContact O-N 3.05Å; D505-K508 PolarHBondContact O-N 3.2Å; S506-K508 PolarHBondContact O-N 3.33Å; K508-N512 PolarHBondContact O-N 2.9Å
509N44.9Very low49.7Very low110 Ų110104 Ų10459%0.58862%0.618SS**Hα-helixtrans-78.4-26.2178.3-76.8-22.1000113.2D505 S506 N507D505-N509 PolarHBondContact O-N 2.65Å; S506-N509 PolarHBondContact O-N 3.21Å; N507-N509 VanDerWaalsContact C-N 3.33Å
510E46Very low48.5Very low145 Ų145106.9 Ų106.968%0.67864%0.639SS**Hα-helixtrans-75.8-36172.9-74.4-167.8159.700112.8S506 N512 N513S506-E510 PolarHBondContact O-N 2.85Å; E510-N512 VanDerWaalsContact C-N 3.33Å; E510-N512 PolarHBondContact O-N 3.44Å; E510-N513 PolarHBondContact O-N 3.35Å
511V47.2Very low47.5Very low108 Ų108109.4 Ų109.466%0.65565%0.653SS**Hα-helixtrans-69.4-30178.7177.60000112.2N507N507-V511 WeakPolarHBondContact O-CG2 3.36Å; N507-V511 PolarHBondContact O-N 3.4Å
512N44.1Very low46.6Very low118 Ų118117.5 Ų117.563%0.63170%0.697SS**Hα-helixtrans-78.9-19178.2-77.8-18.5000114.4K508 E510K508-N512 PolarHBondContact O-N 2.9Å; E510-N512 VanDerWaalsContact C-N 3.33Å; E510-N512 PolarHBondContact O-N 3.44Å
513N44.3Very low45.7Very low147 Ų147116.4 Ų116.479%0.78670%0.701SS**THydrogen-bonded Turntrans-89.3-6.1177.9-81.1-21.7000113.9E510E510-N513 PolarHBondContact O-N 3.35Å
514A43.9Very low45.5Very low88 Ų88120.6 Ų120.673%0.72772%0.718SS**SBendtrans-92.8-3.6178.600000114.1
515A43.2Very low45Very low76 Ų76120.6 Ų120.663%0.62872%0.723SS**SBendtrans-95.5-13.4-17300000115.7G517A515-G517 PolarHBondContact O-N 3.48Å
516D42.5Very low44.4Very low167 Ų167121.8 Ų121.889%0.89373%0.734SS**  trans-10450.2-174.8-83.5-13.3000113.7
517G45.4Very low43.9Very low68 Ų68125 Ų12570%0.70175%0.75SS**  trans-134.255-17800000114.7A515A515-G517 PolarHBondContact O-N 3.48Å
518V39.2Very low43.5Very low129 Ų129126.6 Ų126.678%0.78276%0.764SS**  trans-132.7104.1173179.40000112.3
519T42.1Very low43.1Very low120 Ų120125.6 Ų125.674%0.73677%0.774SS**  trans41.8125.7144.261.30000121.6
520T34.4Very low42.9Very low150 Ų150126.8 Ų126.892%0.9279%0.789SS**  -145.3119.1129.941.20000110.9
521S42.2Very low42.7Very low110 Ų110125.3 Ų125.377%0.76980%0.798SS**  trans-93.2130.6165.546.30000110.5
522V43.3Very low42.2Very low222 Ų222126.8 Ų126.8100%1.34581%0.811SS**  trans-144.20137.7-179.10000107.6

Retrieved 522 of 522 residues in 1864.5 ms (Link to these results)

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