A0A087XUE0_POEFO Loading...

Jumonji domain containing 6, arginine demethylase and lysine hydroxylase

AlphaFold DB (A0A3B3VFK0), UniProt , Accession A0A087XUE0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 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
1M85.4Confident95.4Very high102 Ų10293.5 Ų93.550%0.50242%0.422SS..  0129.10-98.716842.200111.6K6 I9 E119 S123M1-K6 HydrophobicContact CB-CG 4.37Å; M1-K6 HydrophobicContact CE-CB 4.34Å; M1-K6 HydrophobicContact CE-CG 3.42Å; M1-K6 VanDerWaalsContact CE-CG 3.42Å; M1-I9 HydrophobicContact CE-CD1 3.67Å; M1-I9 HydrophobicContact SD-CD1 3.97Å; M1-E119 HydrophobicContact CG-CB 3.87Å; M1-E119 HydrophobicContact CG-CG 4.38Å; M1-E119 WeakPolarHBondContact CG-OE2 3.34Å; M1-E119 HydrophobicContact SD-CB 4.22Å; M1-S123 PolarHBondContact SD-OG 3.09Å
2N91.9Very high95.6Very high93 Ų9386.2 Ų86.250%0.49739%0.391SS..  trans-79.7167.4175.267.834.9000112.7K4 S5 K6N2-K4 VanDerWaalsContact C-N 3.3Å; N2-K4 PolarHBondContact O-N 3.12Å; N2-K4 PolarHBondContact OD1-N 3.31Å; N2-S5 WeakPolarHBondContact O-CB 3.42Å; N2-S5 PolarHBondContact O-N 3.09Å; N2-S5 WeakPolarHBondContact OD1-CB 3.24Å; N2-S5 PolarHBondContact OD1-N 2.68Å; N2-K6 PolarHBondContact O-N 2.98Å
3H94.8Very high95.8Very high156 Ų15682.2 Ų82.272%0.72237%0.372SS*.Hα-helixtrans-56.6-40.6-177.5-177.281.9000113.2S5 K6 K7H3-S5 PolarHBondContact O-N 2.79Å; H3-K6 PolarHBondContact O-N 3.21Å; H3-K7 PolarHBondContact O-N 3.18Å
4K95.6Very high95.9Very high123 Ų12387.5 Ų87.554%0.53539%0.388SS..Hα-helixtrans-65.7-38-179.9-172.8171.3-175.8165.90112.7N2 R8N2-K4 VanDerWaalsContact C-N 3.3Å; N2-K4 PolarHBondContact O-N 3.12Å; N2-K4 PolarHBondContact OD1-N 3.31Å; K4-R8 WeakPolarHBondContact O-CG 3.45Å; K4-R8 PolarHBondContact O-N 2.81Å; K4-R8 VanDerWaalsContact O-N 3.11Å
5S96Very high95.9Very high0 Ų085.2 Ų85.20%039%0.387CS..Hα-helixtrans-63.5-51.3176-171.50000110.9N2 H3 K7 R8 I9 E119N2-S5 WeakPolarHBondContact O-CB 3.42Å; N2-S5 PolarHBondContact O-N 3.09Å; N2-S5 WeakPolarHBondContact OD1-CB 3.24Å; N2-S5 PolarHBondContact OD1-N 2.68Å; H3-S5 PolarHBondContact O-N 2.79Å; S5-K7 VanDerWaalsContact C-N 3.3Å; S5-K7 PolarHBondContact O-N 3.49Å; S5-R8 PolarHBondContact O-N 3.34Å; S5-R8 VanDerWaalsContact O-N 3.13Å; S5-I9 WeakPolarHBondContact O-CG1 3.34Å; S5-I9 PolarHBondContact O-N 2.72Å; S5-E119 WeakPolarHBondContact CB-OE2 3.3Å; S5-E119 PolarHBondContact OG-OE2 2.68Å
6K96.7Very high95.9Very high125 Ų12580.1 Ų80.154%0.54337%0.365SS..Hα-helixtrans-52.8-46.5174.8-69.5-178.8-179.9-171.90112.1M1 N2 H3 I9 K10M1-K6 HydrophobicContact CB-CG 4.37Å; M1-K6 HydrophobicContact CE-CB 4.34Å; M1-K6 HydrophobicContact CE-CG 3.42Å; M1-K6 VanDerWaalsContact CE-CG 3.42Å; N2-K6 PolarHBondContact O-N 2.98Å; H3-K6 PolarHBondContact O-N 3.21Å; K6-I9 PolarHBondContact O-N 2.91Å; K6-K10 WeakPolarHBondContact O-CB 3.33Å; K6-K10 PolarHBondContact O-N 2.93Å
7K97.8Very high95.9Very high112 Ų11276.4 Ų76.449%0.48735%0.347SS..Hα-helixtrans-59.5-48.1178.2-177.7174.2-179.3171.50112.3H3 S5 I9 K10 E11H3-K7 PolarHBondContact O-N 3.18Å; S5-K7 VanDerWaalsContact C-N 3.3Å; S5-K7 PolarHBondContact O-N 3.49Å; K7-I9 PolarHBondContact O-N 3.26Å; K7-K10 PolarHBondContact O-N 3.17Å; K7-E11 WeakPolarHBondContact CE-OE1 3.39Å; K7-E11 WeakPolarHBondContact O-CG 3.47Å; K7-E11 PolarHBondContact O-N 2.87Å
8R98.3Very high95.9Very high94 Ų9473.8 Ų73.836%0.35534%0.339SS..Hα-helixtrans-66.3-37.6-178.5-69.7-69.5175.6-1084.1112.6K4 S5 E11 A12 L112 Y116K4-R8 WeakPolarHBondContact O-CG 3.45Å; K4-R8 PolarHBondContact O-N 2.81Å; K4-R8 VanDerWaalsContact O-N 3.11Å; S5-R8 PolarHBondContact O-N 3.34Å; S5-R8 VanDerWaalsContact O-N 3.13Å; R8-E11 WeakPolarHBondContact CD-OE2 3.14Å; R8-E11 IonicContact CZ-OE2 2.72Å; R8-E11 IonicContact NE-OE2 3.69Å; R8-E11 IonicContact NH1-OE1 2.74Å; R8-E11 PolarHBondContact NH1-OE1 2.79Å; R8-E11 IonicContact NH1-OE2 3.14Å; R8-E11 PolarHBondContact NH1-OE2 2.99Å; R8-E11 PolarHBondContact O-N 3.45Å; R8-A12 PolarHBondContact O-N 3.28Å; R8-L112 HydrophobicContact CB-CD2 4.22Å; R8-Y116 HydrophobicContact CB-CD2 4.06Å; R8-Y116 HydrophobicContact CB-CE2 4.31Å; R8-Y116 HydrophobicContact CB-CG 4.46Å; R8-Y116 HydrophobicContact CG-CD2 4.2Å; R8-Y116 HydrophobicContact CG-CE2 3.92Å
9I98Very high95.8Very high12 Ų1272.3 Ų72.36%0.06233%0.332CS..Hα-helixtrans-64.1-46.4174.6-65.6161.8000110.2M1 S5 K6 K7 E11 A12 K13 Y120M1-I9 HydrophobicContact CE-CD1 3.67Å; M1-I9 HydrophobicContact SD-CD1 3.97Å; S5-I9 WeakPolarHBondContact O-CG1 3.34Å; S5-I9 PolarHBondContact O-N 2.72Å; K6-I9 PolarHBondContact O-N 2.91Å; K7-I9 PolarHBondContact O-N 3.26Å; I9-E11 VanDerWaalsContact C-N 3.34Å; I9-E11 PolarHBondContact O-N 3.28Å; I9-A12 PolarHBondContact O-N 2.99Å; I9-K13 HydrophobicContact CG2-CD 4.43Å; I9-K13 HydrophobicContact CG2-CG 4.45Å; I9-K13 WeakPolarHBondContact O-CG 3.08Å; I9-K13 PolarHBondContact O-N 3.4Å; I9-Y120 HydrophobicContact CG2-CD2 3.68Å; I9-Y120 HydrophobicContact CG2-CE2 4.23Å; I9-Y120 HydrophobicContact CG2-CG 4.39Å
10K97.5Very high95.8Very high139 Ų13969.1 Ų69.160%0.60432%0.317SS*.Hα-helixtrans-61-39.6178-172.7176.2-176.1174.50112.9K6 K7 R14K6-K10 WeakPolarHBondContact O-CB 3.33Å; K6-K10 PolarHBondContact O-N 2.93Å; K7-K10 PolarHBondContact O-N 3.17Å; K10-R14 PolarHBondContact O-N 3.4Å; K10-R14 VanDerWaalsContact O-N 3.15Å
11E97.6Very high95.6Very high72 Ų7273.5 Ų73.534%0.33634%0.336SS..Hα-helixtrans-64-47.7174.7-72.7166.1-178.600111.2K7 R8 I9 K13 R14 S15K7-E11 WeakPolarHBondContact CE-OE1 3.39Å; K7-E11 WeakPolarHBondContact O-CG 3.47Å; K7-E11 PolarHBondContact O-N 2.87Å; R8-E11 WeakPolarHBondContact CD-OE2 3.14Å; R8-E11 IonicContact CZ-OE2 2.72Å; R8-E11 IonicContact NE-OE2 3.69Å; R8-E11 IonicContact NH1-OE1 2.74Å; R8-E11 PolarHBondContact NH1-OE1 2.79Å; R8-E11 IonicContact NH1-OE2 3.14Å; R8-E11 PolarHBondContact NH1-OE2 2.99Å; R8-E11 PolarHBondContact O-N 3.45Å; I9-E11 VanDerWaalsContact C-N 3.34Å; I9-E11 PolarHBondContact O-N 3.28Å; E11-K13 PolarHBondContact O-N 3.43Å; E11-R14 PolarHBondContact O-N 3.38Å; E11-S15 PolarHBondContact O-N 3.49Å; E11-S15 PolarHBondContact O-OG 3.04Å
12A98Very high95.9Very high6 Ų672.5 Ų72.55%0.0533%0.332CS..Hα-helixtrans-61.1-44.2178.300000112.4R8 I9 R14 S15 A16 V110 L112 L130R8-A12 PolarHBondContact O-N 3.28Å; I9-A12 PolarHBondContact O-N 2.99Å; A12-R14 PolarHBondContact O-N 3.12Å; A12-S15 PolarHBondContact O-N 3.41Å; A12-A16 WeakPolarHBondContact O-CB 2.99Å; A12-A16 PolarHBondContact O-N 3.3Å; A12-V110 HydrophobicContact CB-CG1 3.97Å; A12-L112 HydrophobicContact CB-CD1 3.75Å; A12-L112 HydrophobicContact CB-CD2 3.79Å; A12-L112 HydrophobicContact CB-CG 3.65Å; A12-L130 HydrophobicContact CB-CD1 4.21Å
13K97.8Very high95.8Very high34 Ų3471.9 Ų71.915%0.14834%0.335CS..Hα-helixtrans-54.6-51.2174.3-78.6-169.2166.3-1630112.2I9 E11 S15 A16 R17 W26 D126 L130I9-K13 HydrophobicContact CG2-CD 4.43Å; I9-K13 HydrophobicContact CG2-CG 4.45Å; I9-K13 WeakPolarHBondContact O-CG 3.08Å; I9-K13 PolarHBondContact O-N 3.4Å; E11-K13 PolarHBondContact O-N 3.43Å; K13-S15 VanDerWaalsContact C-N 3.33Å; K13-S15 PolarHBondContact O-N 3.17Å; K13-A16 PolarHBondContact O-N 3.07Å; K13-R17 PolarHBondContact O-N 2.89Å; K13-W26 HydrophobicContact CB-CH2 3.9Å; K13-W26 HydrophobicContact CB-CZ2 3.35Å; K13-W26 HydrophobicContact CD-CD2 3.82Å; K13-W26 HydrophobicContact CD-CE3 4.08Å; K13-W26 HydrophobicContact CD-CG 4.43Å; K13-W26 HydrophobicContact CD-CH2 4.15Å; K13-W26 HydrophobicContact CD-CZ2 3.88Å; K13-W26 HydrophobicContact CD-CZ3 4.24Å; K13-W26 HydrophobicContact CG-CD2 4.35Å; K13-W26 HydrophobicContact CG-CE3 4.4Å; K13-W26 HydrophobicContact CG-CH2 3.62Å; K13-W26 HydrophobicContact CG-CZ2 3.52Å; K13-W26 HydrophobicContact CG-CZ3 4.06Å; K13-D126 WeakPolarHBondContact CE-OD2 3.28Å; K13-D126 IonicContact NZ-OD1 2.68Å; K13-D126 PolarHBondContact NZ-OD1 3.12Å; K13-D126 IonicContact NZ-OD2 2.72Å; K13-D126 PolarHBondContact NZ-OD2 3.03Å; K13-L130 HydrophobicContact CG-CD1 3.93Å; K13-L130 HydrophobicContact CG-CG 4.34Å
14R96.9Very high95.8Very high157 Ų15770.1 Ų70.159%0.59233%0.331SS*.Hα-helixtrans-63.1-39.2-178.2-168.4-169.8-45.6-1594.5112.8K10 E11 A12 P18K10-R14 PolarHBondContact O-N 3.4Å; K10-R14 VanDerWaalsContact O-N 3.15Å; E11-R14 PolarHBondContact O-N 3.38Å; A12-R14 PolarHBondContact O-N 3.12Å; R14-P18 WeakPolarHBondContact O-CA 3.49Å
15S96.6Very high95.8Very high53 Ų5366.1 Ų66.137%0.37132%0.315SS..Hα-helixtrans-73.1-41.6178.2-65.20000111.8E11 A12 K13 D104E11-S15 PolarHBondContact O-N 3.49Å; E11-S15 PolarHBondContact O-OG 3.04Å; A12-S15 PolarHBondContact O-N 3.41Å; K13-S15 VanDerWaalsContact C-N 3.33Å; K13-S15 PolarHBondContact O-N 3.17Å; S15-D104 WeakPolarHBondContact O-CA 3.5Å
16A95.8Very high95.9Very high4 Ų466.6 Ų66.63%0.03332%0.317CS..Hα-helixtrans-75.4-31.2-17500000113.5A12 K13 E103 V110 L130A12-A16 WeakPolarHBondContact O-CB 2.99Å; A12-A16 PolarHBondContact O-N 3.3Å; K13-A16 PolarHBondContact O-N 3.07Å; A16-E103 WeakPolarHBondContact CA-O 3.34Å; A16-V110 HydrophobicContact CB-CB 4.34Å; A16-V110 HydrophobicContact CB-CG1 4.28Å; A16-V110 HydrophobicContact CB-CG2 4.3Å; A16-L130 HydrophobicContact CB-CD2 3.87Å
17R96.1Very high95.9Very high17 Ų1764.4 Ų64.46%0.06431%0.31CS..  trans-138.669.8-177.5-57.2-66-55.7-73.8-14.5110.1K13 E19 L20 W26 N227 E231K13-R17 PolarHBondContact O-N 2.89Å; R17-E19 VanDerWaalsContact CA-OE2 3.26Å; R17-E19 WeakPolarHBondContact CA-OE2 3.31Å; R17-E19 IonicContact CZ-OE1 2.66Å; R17-E19 IonicContact NE-OE1 2.71Å; R17-E19 PolarHBondContact NE-OE1 3.03Å; R17-E19 IonicContact NH2-OE1 3.72Å; R17-E19 PolarHBondContact NH2-OE1 3.19Å; R17-E19 PolarHBondContact O-N 3.24Å; R17-L20 HydrophobicContact CB-CB 4.4Å; R17-L20 HydrophobicContact CB-CD1 3.86Å; R17-L20 HydrophobicContact CB-CG 4.01Å; R17-L20 HydrophobicContact CG-CD1 4.29Å; R17-L20 PolarHBondContact O-N 3.47Å; R17-L20 VanDerWaalsContact O-N 3.09Å; R17-W26 HydrophobicContact CB-CH2 4.06Å; R17-W26 HydrophobicContact CB-CZ2 3.8Å; R17-W26 HydrophobicContact CG-CH2 3.76Å; R17-W26 HydrophobicContact CG-CZ2 4.05Å; R17-N227 PolarHBondContact NH2-O 3.49Å; R17-E231 IonicContact CZ-OE1 3.53Å; R17-E231 IonicContact NH1-OE1 3.23Å; R17-E231 PolarHBondContact NH1-OE1 2.76Å; R17-E231 IonicContact NH2-OE1 3.89Å
18P94.8Very high95.9Very high30 Ų3066.4 Ų66.420%0.19532%0.318CS..THydrogen-bonded Turntrans-67.2-15.4-174.924.2-29.6000114.2R14 L20 K21 N105R14-P18 WeakPolarHBondContact O-CA 3.49Å; P18-L20 VanDerWaalsContact C-N 3.34Å; P18-K21 WeakPolarHBondContact O-CE 3.46Å; P18-K21 PolarHBondContact O-NZ 3.1Å; P18-N105 WeakPolarHBondContact CG-ND2 3.24Å; P18-N105 WeakPolarHBondContact CG-OD1 3.23Å
19E94.8Very high95.8Very high44 Ų4465.3 Ų65.321%0.20632%0.317CS..THydrogen-bonded Turntrans-71.6-23.317174.6-79.8-162.500113.4R17 N227R17-E19 VanDerWaalsContact CA-OE2 3.26Å; R17-E19 WeakPolarHBondContact CA-OE2 3.31Å; R17-E19 IonicContact CZ-OE1 2.66Å; R17-E19 IonicContact NE-OE1 2.71Å; R17-E19 PolarHBondContact NE-OE1 3.03Å; R17-E19 IonicContact NH2-OE1 3.72Å; R17-E19 PolarHBondContact NH2-OE1 3.19Å; R17-E19 PolarHBondContact O-N 3.24Å; E19-N227 HydrophobicContact CG-CB 4.08Å
20L95.8Very high95.8Very high8 Ų865.9 Ų65.94%0.04233%0.326CS..  trans-90.2106.5174.8-53.6-178.3000109.6R17 P18 D25 W26 N227R17-L20 HydrophobicContact CB-CB 4.4Å; R17-L20 HydrophobicContact CB-CD1 3.86Å; R17-L20 HydrophobicContact CB-CG 4.01Å; R17-L20 HydrophobicContact CG-CD1 4.29Å; R17-L20 PolarHBondContact O-N 3.47Å; R17-L20 VanDerWaalsContact O-N 3.09Å; P18-L20 VanDerWaalsContact C-N 3.34Å; L20-D25 HydrophobicContact CB-CB 4Å; L20-D25 HydrophobicContact CD2-CB 4.08Å; L20-W26 HydrophobicContact CD1-CD2 3.9Å; L20-W26 HydrophobicContact CD1-CE3 4.34Å; L20-W26 HydrophobicContact CD1-CG 4.22Å; L20-W26 HydrophobicContact CD1-CH2 4.41Å; L20-W26 HydrophobicContact CD1-CZ2 3.97Å; L20-N227 HydrophobicContact CD2-CB 3.94Å
21K91.9Very high95.8Very high162 Ų16260.6 Ų60.670%0.70430%0.302SS*.  trans-85.1-36.3-163.5-57.2-55.3179.3-173.20113.6P18 D25P18-K21 WeakPolarHBondContact O-CE 3.46Å; P18-K21 PolarHBondContact O-NZ 3.1Å; K21-D25 PolarHBondContact N-OD2 3.27Å
22D91.9Very high95.8Very high81 Ų8162.2 Ų62.243%0.43331%0.306SS..SBendtrans-135-177.6-177.864.836.3000112L24 D25D22-L24 VanDerWaalsContact C-N 3.27Å; D22-L24 PolarHBondContact O-N 3.26Å; D22-L24 WeakPolarHBondContact OD1-CA 3.17Å; D22-L24 VanDerWaalsContact OD1-CB 3.3Å; D22-L24 WeakPolarHBondContact OD1-CB 2.97Å; D22-L24 PolarHBondContact OD1-N 2.92Å; D22-D25 PolarHBondContact OD1-N 2.89Å
23S89.6Confident95.8Very high80 Ų8068.7 Ų68.756%0.55934%0.335SS*.THydrogen-bonded Turntrans-69.6-23.1-18049.70000113.9W26 M27S23-W26 PolarHBondContact O-N 3.14Å; S23-M27 VanDerWaalsContact O-CE 3.31Å; S23-M27 WeakPolarHBondContact O-CE 3.29Å
24L93.9Very high95.7Very high120 Ų12073.2 Ų73.263%0.62836%0.361SS*.THydrogen-bonded Turntrans-71.7-38.7179.7-63.5171.5000110D22 W26 M27 K28D22-L24 VanDerWaalsContact C-N 3.27Å; D22-L24 PolarHBondContact O-N 3.26Å; D22-L24 WeakPolarHBondContact OD1-CA 3.17Å; D22-L24 VanDerWaalsContact OD1-CB 3.3Å; D22-L24 WeakPolarHBondContact OD1-CB 2.97Å; D22-L24 PolarHBondContact OD1-N 2.92Å; L24-W26 PolarHBondContact O-N 2.82Å; L24-M27 CarbonylContact O-C 3.38Å; L24-M27 PolarHBondContact O-N 2.72Å; L24-K28 WeakPolarHBondContact O-CA 3.29Å; L24-K28 PolarHBondContact O-N 3.09Å
25D96Very high95.7Very high39 Ų3967.3 Ų67.321%0.20934%0.34CS..THydrogen-bonded Turntrans-57.6-30.7174.8-76.2-23.4000113.4L20 K21 D22 M27L20-D25 HydrophobicContact CB-CB 4Å; L20-D25 HydrophobicContact CD2-CB 4.08Å; K21-D25 PolarHBondContact N-OD2 3.27Å; D22-D25 PolarHBondContact OD1-N 2.89Å; D25-M27 VanDerWaalsContact C-N 3.31Å
26W97.9Very high95.7Very high10 Ų1068.9 Ų68.94%0.03834%0.344CS..THydrogen-bonded Turntrans-76.2-16.2177.6-75.373.1000113.8K13 R17 L20 S23 L24 D126 D127 L130K13-W26 HydrophobicContact CB-CH2 3.9Å; K13-W26 HydrophobicContact CB-CZ2 3.35Å; K13-W26 HydrophobicContact CD-CD2 3.82Å; K13-W26 HydrophobicContact CD-CE3 4.08Å; K13-W26 HydrophobicContact CD-CG 4.43Å; K13-W26 HydrophobicContact CD-CH2 4.15Å; K13-W26 HydrophobicContact CD-CZ2 3.88Å; K13-W26 HydrophobicContact CD-CZ3 4.24Å; K13-W26 HydrophobicContact CG-CD2 4.35Å; K13-W26 HydrophobicContact CG-CE3 4.4Å; K13-W26 HydrophobicContact CG-CH2 3.62Å; K13-W26 HydrophobicContact CG-CZ2 3.52Å; K13-W26 HydrophobicContact CG-CZ3 4.06Å; R17-W26 HydrophobicContact CB-CH2 4.06Å; R17-W26 HydrophobicContact CB-CZ2 3.8Å; R17-W26 HydrophobicContact CG-CH2 3.76Å; R17-W26 HydrophobicContact CG-CZ2 4.05Å; L20-W26 HydrophobicContact CD1-CD2 3.9Å; L20-W26 HydrophobicContact CD1-CE3 4.34Å; L20-W26 HydrophobicContact CD1-CG 4.22Å; L20-W26 HydrophobicContact CD1-CH2 4.41Å; L20-W26 HydrophobicContact CD1-CZ2 3.97Å; S23-W26 PolarHBondContact O-N 3.14Å; L24-W26 PolarHBondContact O-N 2.82Å; W26-D126 HydrophobicContact CE3-CB 4Å; W26-D126 CarbonylContact O-C 3.45Å; W26-D126 VanDerWaalsContact O-CA 3.29Å; W26-D126 WeakPolarHBondContact O-CA 3.49Å; W26-D127 PolarHBondContact O-N 2.85Å; W26-L130 HydrophobicContact CH2-CD2 3.76Å; W26-L130 HydrophobicContact CH2-CG 4.17Å; W26-L130 HydrophobicContact CZ3-CD2 4.21Å; W26-L130 HydrophobicContact CZ3-CG 4.22Å
27M97.4Very high95.7Very high78 Ų7870.7 Ų70.738%0.38435%0.354SS..SBendtrans-130.516.5-174.6-59-179.1-67.900111.8S23 L24 D25 H29 G30 R125 D127S23-M27 VanDerWaalsContact O-CE 3.31Å; S23-M27 WeakPolarHBondContact O-CE 3.29Å; L24-M27 CarbonylContact O-C 3.38Å; L24-M27 PolarHBondContact O-N 2.72Å; D25-M27 VanDerWaalsContact C-N 3.31Å; M27-H29 PolarHBondContact O-N 2.98Å; M27-G30 PolarHBondContact O-N 2.75Å; M27-G30 VanDerWaalsContact O-N 3.09Å; M27-R125 HydrophobicContact SD-CB 4.09Å; M27-D127 WeakPolarHBondContact CA-OD2 3.24Å
28K96.8Very high95.7Very high155 Ų15571.7 Ų71.767%0.67436%0.364SS*.THydrogen-bonded Turntrans-57.6-35.3-170.1-179.2179.5177.1-178.10112.8L24 D127L24-K28 WeakPolarHBondContact O-CA 3.29Å; L24-K28 PolarHBondContact O-N 3.09Å; K28-D127 PolarHBondContact N-OD2 3.08Å
29H96.9Very high95.6Very high71 Ų7173.9 Ų73.933%0.32937%0.372SS..THydrogen-bonded Turntrans-90.9-13-177.2-60.4-89.4000112.9M27 Y31 D127M27-H29 PolarHBondContact O-N 2.98Å; H29-Y31 VanDerWaalsContact C-N 3.25Å; H29-Y31 HydrophobicContact CB-CD1 3.94Å; H29-Y31 HydrophobicContact CB-CD2 3.86Å; H29-Y31 HydrophobicContact CB-CE1 3.73Å; H29-Y31 HydrophobicContact CB-CE2 3.62Å; H29-Y31 HydrophobicContact CB-CG 4Å; H29-Y31 AromaticContact CG-CE2 3.9Å; H29-Y31 AromaticContact CG-CZ 3.84Å; H29-Y31 PolarHBondContact O-N 3.17Å; H29-D127 WeakPolarHBondContact CB-OD2 3.32Å; H29-D127 IonicContact CD2-OD2 3.52Å; H29-D127 IonicContact CG-OD2 2.94Å; H29-D127 PolarHBondContact N-OD2 3.23Å
30G97.4Very high95.4Very high23 Ų2379.6 Ų79.624%0.23740%0.398CS..  trans63.52918000000113.3M27 Y32 E33 N34 D127M27-G30 PolarHBondContact O-N 2.75Å; M27-G30 VanDerWaalsContact O-N 3.09Å; G30-Y32 PolarHBondContact O-N 3.4Å; G30-Y32 VanDerWaalsContact O-N 3.11Å; G30-E33 PolarHBondContact O-N 3.35Å; G30-N34 PolarHBondContact O-N 2.98Å; G30-N34 VanDerWaalsContact O-N 3.12Å; G30-D127 PolarHBondContact N-OD1 2.74Å; G30-D127 VanDerWaalsContact N-OD1 3.11Å
31Y98.1Very high94.9Very high29 Ų2983 Ų8311%0.11442%0.42CS..Hα-helixtrans-64.1-18.5-176.7-68-36.2000113H29 E33 F35 D127 V233 S237H29-Y31 VanDerWaalsContact C-N 3.25Å; H29-Y31 HydrophobicContact CB-CD1 3.94Å; H29-Y31 HydrophobicContact CB-CD2 3.86Å; H29-Y31 HydrophobicContact CB-CE1 3.73Å; H29-Y31 HydrophobicContact CB-CE2 3.62Å; H29-Y31 HydrophobicContact CB-CG 4Å; H29-Y31 AromaticContact CG-CE2 3.9Å; H29-Y31 AromaticContact CG-CZ 3.84Å; H29-Y31 PolarHBondContact O-N 3.17Å; Y31-E33 PolarHBondContact O-N 2.78Å; Y31-F35 HydrophobicContact CD1-CB 3.87Å; Y31-F35 HydrophobicContact CD1-CD2 4.12Å; Y31-F35 HydrophobicContact CD1-CG 4.38Å; Y31-F35 HydrophobicContact CE1-CD2 4.37Å; Y31-F35 HydrophobicContact CG-CB 4.06Å; Y31-F35 VanDerWaalsContact O-CB 3.3Å; Y31-F35 WeakPolarHBondContact O-CB 3.28Å; Y31-F35 PolarHBondContact O-N 2.94Å; Y31-D127 HydrophobicContact CD2-CB 3.7Å; Y31-D127 HydrophobicContact CE2-CB 4.41Å; Y31-D127 HydrophobicContact CG-CB 4.46Å; Y31-D127 PolarHBondContact N-OD1 2.75Å; Y31-V233 HydrophobicContact CD2-CB 4.39Å; Y31-V233 HydrophobicContact CD2-CG1 3.92Å; Y31-V233 HydrophobicContact CD2-CG2 3.55Å; Y31-V233 HydrophobicContact CE2-CG1 3.97Å; Y31-V233 HydrophobicContact CE2-CG2 3.93Å; Y31-V233 HydrophobicContact CG-CG2 4.02Å; Y31-S237 PolarHBondContact OH-OG 3.3Å
32Y97.8Very high95.1Very high106 Ų10676.1 Ų76.142%0.41639%0.391SS..Hα-helixtrans-57.7-34.6171.4179.2-95.2000112.9G30 R125G30-Y32 PolarHBondContact O-N 3.4Å; G30-Y32 VanDerWaalsContact O-N 3.11Å; Y32-R125 HydrophobicContact CD1-CB 4.32Å; Y32-R125 HydrophobicContact CD1-CG 3.97Å; Y32-R125 HydrophobicContact CD2-CB 3.9Å; Y32-R125 HydrophobicContact CD2-CG 3.73Å; Y32-R125 HydrophobicContact CE1-CG 4.09Å; Y32-R125 HydrophobicContact CE2-CB 4.48Å; Y32-R125 HydrophobicContact CE2-CG 3.81Å; Y32-R125 HydrophobicContact CG-CB 3.81Å; Y32-R125 HydrophobicContact CG-CG 3.82Å
33E97.1Very high95.3Very high142 Ų14277.7 Ų77.766%0.66439%0.394SS*.Hα-helixtrans-102.6-34-177-58-176169.900111.8G30 Y31 R125G30-E33 PolarHBondContact O-N 3.35Å; Y31-E33 PolarHBondContact O-N 2.78Å; E33-R125 IonicContact OE1-NH1 3.92Å
34N96.8Very high95.7Very high128 Ų12876.3 Ų76.368%0.68438%0.38SS*.Hα-helixtrans-109.6-6.9-164.5-58.6-30.4000114.7G30G30-N34 PolarHBondContact O-N 2.98Å; G30-N34 VanDerWaalsContact O-N 3.12Å
35F97.1Very high95.9Very high34 Ų3475 Ų7515%0.14937%0.374CS..SBendtrans-104.7118179.5-169.5-82.7000110.6Y31 V37 V233 F236 L276Y31-F35 HydrophobicContact CD1-CB 3.87Å; Y31-F35 HydrophobicContact CD1-CD2 4.12Å; Y31-F35 HydrophobicContact CD1-CG 4.38Å; Y31-F35 HydrophobicContact CE1-CD2 4.37Å; Y31-F35 HydrophobicContact CG-CB 4.06Å; Y31-F35 VanDerWaalsContact O-CB 3.3Å; Y31-F35 WeakPolarHBondContact O-CB 3.28Å; Y31-F35 PolarHBondContact O-N 2.94Å; F35-V37 HydrophobicContact CD1-CG1 3.88Å; F35-V37 HydrophobicContact CE1-CG1 4.31Å; F35-V37 PolarHBondContact O-N 3.01Å; F35-V233 HydrophobicContact CD1-CG2 4.24Å; F35-V233 HydrophobicContact CD2-CG2 4.01Å; F35-V233 HydrophobicContact CE1-CG2 4.31Å; F35-V233 HydrophobicContact CE2-CG2 4.06Å; F35-V233 HydrophobicContact CG-CG2 4.1Å; F35-V233 HydrophobicContact CZ-CG2 4.21Å; F35-F236 HydrophobicContact CE2-CB 4.29Å; F35-F236 HydrophobicContact CZ-CB 3.79Å; F35-L276 HydrophobicContact CE1-CD2 3.6Å; F35-L276 HydrophobicContact CZ-CD2 3.94Å
36D96.3Very high96Very high85 Ų8573.8 Ų73.846%0.45537%0.368SS..  trans-70.2115.7179.1-177.626.1000111.3S38 T41D36-S38 WeakPolarHBondContact OD1-CA 3.32Å; D36-S38 WeakPolarHBondContact OD1-CB 3.34Å; D36-S38 PolarHBondContact OD1-N 2.91Å; D36-T41 WeakPolarHBondContact OD2-CG2 3.32Å; D36-T41 PolarHBondContact OD2-OG1 3.49Å
37V96Very high96Very high42 Ų4276.3 Ų76.326%0.25538%0.38SS..  trans-105.711.9172.9-62.40000112.2F35 H39 P180 R181 L278F35-V37 HydrophobicContact CD1-CG1 3.88Å; F35-V37 HydrophobicContact CE1-CG1 4.31Å; F35-V37 PolarHBondContact O-N 3.01Å; V37-H39 PolarHBondContact O-N 3.11Å; V37-P180 HydrophobicContact CG2-CB 4.48Å; V37-R181 HydrophobicContact CG1-CG 3.91Å; V37-L278 WeakPolarHBondContact CB-O 3.14Å; V37-L278 WeakPolarHBondContact O-CB 3.34Å
38S94.9Very high96.1Very high39 Ų3975.8 Ų75.827%0.27337%0.374SS..  trans-60.9127.7174.4-177.40000110.7D36 Q40 T41D36-S38 WeakPolarHBondContact OD1-CA 3.32Å; D36-S38 WeakPolarHBondContact OD1-CB 3.34Å; D36-S38 PolarHBondContact OD1-N 2.91Å; S38-Q40 PolarHBondContact O-N 2.97Å; S38-Q40 PolarHBondContact OG-N 3.46Å; S38-T41 PolarHBondContact O-OG1 3.01Å
39H93Very high96.2Very high76 Ų7669.2 Ų69.235%0.35235%0.347SS..G310 helixtrans-71.4-12.4173.963.170.4000112.8V37 T41 H203 L258 L278V37-H39 PolarHBondContact O-N 3.11Å; H39-T41 VanDerWaalsContact C-N 3.33Å; H39-H203 HydrophobicContact CB-CB 4.44Å; H39-L258 HydrophobicContact CB-CD1 3.88Å; H39-L258 HydrophobicContact CB-CD2 4.25Å; H39-L258 WeakPolarHBondContact O-CD2 3.49Å; H39-L278 HydrophobicContact CB-CD1 3.78Å
40Q90.3Very high96.3Very high164 Ų16468 Ų6877%0.76634%0.343SS*.G310 helixtrans-74.7-24-176.8-60.1177.84.200113S38S38-Q40 PolarHBondContact O-N 2.97Å; S38-Q40 PolarHBondContact OG-N 3.46Å
41T86.8Confident96.3Very high80 Ų8067.7 Ų67.749%0.49134%0.337SS..G310 helixtrans-91.4-3.7-177.7570000112.7D36 S38 H39 K43D36-T41 WeakPolarHBondContact OD2-CG2 3.32Å; D36-T41 PolarHBondContact OD2-OG1 3.49Å; S38-T41 PolarHBondContact O-OG1 3.01Å; H39-T41 VanDerWaalsContact C-N 3.33Å; T41-K43 PolarHBondContact O-N 3.41Å
42V94.6Very high96.2Very high16 Ų1672.2 Ų72.210%0.09736%0.363CS..  trans-79.1122.5-176.5-177.90000110.3R205 L258 L278V42-R205 HydrophobicContact CG1-CB 4.48Å; V42-R205 HydrophobicContact CG1-CG 3.84Å; V42-R205 HydrophobicContact CG2-CG 4.26Å; V42-L258 HydrophobicContact CB-CB 4.22Å; V42-L258 HydrophobicContact CB-CD1 4.24Å; V42-L258 HydrophobicContact CB-CD2 4.46Å; V42-L258 HydrophobicContact CG1-CB 3.78Å; V42-L258 HydrophobicContact CG1-CD1 4.29Å; V42-L258 HydrophobicContact CG2-CD1 4.35Å; V42-L278 HydrophobicContact CG2-CD1 3.86Å
43K95.8Very high96.2Very high114 Ų11477.2 Ų77.250%0.49638%0.381SS..  trans-73146.5170-60.7179.3-179-178.70109.7T41 E256T41-K43 PolarHBondContact O-N 3.41Å; K43-E256 WeakPolarHBondContact O-CB 3.43Å
44D98.4Very high96.2Very high52 Ų5271 Ų7128%0.27835%0.352SS..  trans-140.2124.6178.4-167.8-56000108.9V46 R48 E256 L258D44-V46 PolarHBondContact OD1-N 2.92Å; D44-R48 IonicContact OD1-CZ 3.86Å; D44-R48 IonicContact OD1-NH1 3.62Å; D44-R48 PolarHBondContact OD1-NH1 3.16Å; D44-R48 IonicContact OD1-NH2 2.98Å; D44-R48 IonicContact OD2-CZ 3.35Å; D44-R48 IonicContact OD2-NH1 3.69Å; D44-R48 PolarHBondContact OD2-NH1 2.91Å; D44-R48 IonicContact OD2-NH2 3.87Å; D44-R48 PolarHBondContact OD2-NH2 3.29Å; D44-E256 WeakPolarHBondContact CA-O 3.35Å; D44-L258 PolarHBondContact OD2-N 3.16Å
45N98.3Very high96.3Very high92 Ų9266.9 Ų66.949%0.49233%0.333SS..  trans-136.118.2-177.464.95.2000112.7P254 L255 E256N45-P254 PolarHBondContact ND2-O 3.27Å; N45-L255 WeakPolarHBondContact OD1-CA 3.45Å; N45-L255 WeakPolarHBondContact OD1-CD1 3.47Å; N45-E256 PolarHBondContact N-O 3.03Å; N45-E256 PolarHBondContact OD1-N 2.94Å; N45-E256 PolarHBondContact OD1-O 3.26Å
46V98.5Very high96.4Very high14 Ų1467.1 Ų67.19%0.08534%0.339CS..  trans-93.2144.8179.568.20000112.2D44 V71 L255 V257D44-V46 PolarHBondContact OD1-N 2.92Å; V46-V71 HydrophobicContact CG1-CB 4.48Å; V46-V71 HydrophobicContact CG1-CG2 3.52Å; V46-V71 HydrophobicContact CG2-CG2 4.26Å; V46-L255 HydrophobicContact CB-CD1 4.17Å; V46-L255 HydrophobicContact CB-CD2 4.34Å; V46-L255 HydrophobicContact CB-CG 4.2Å; V46-L255 HydrophobicContact CG2-CD1 4.43Å; V46-L255 HydrophobicContact CG2-CD2 3.93Å; V46-L255 HydrophobicContact CG2-CG 4.34Å; V46-V257 HydrophobicContact CB-CG2 3.87Å; V46-V257 HydrophobicContact CG1-CB 4.03Å; V46-V257 HydrophobicContact CG1-CG1 3.68Å; V46-V257 HydrophobicContact CG1-CG2 3.53Å; V46-V257 HydrophobicContact CG2-CG2 4.33Å
47E98.7Very high96.4Very high62 Ų6269.4 Ų69.429%0.2935%0.346SS..  trans-64.4137173.7-172.4178.4165.300110.9V49 R62 F63 K68 V70 V71E47-V49 HydrophobicContact CG-CG2 4.08Å; E47-R62 IonicContact OE1-NH2 3.69Å; E47-R62 PolarHBondContact OE1-NH2 3.37Å; E47-F63 WeakPolarHBondContact OE1-CZ 3.38Å; E47-K68 WeakPolarHBondContact OE2-CE 3.49Å; E47-K68 IonicContact OE2-NZ 3.85Å; E47-K68 PolarHBondContact OE2-NZ 2.85Å; E47-V70 HydrophobicContact CB-CG2 4.39Å; E47-V70 WeakPolarHBondContact O-CG2 3.49Å; E47-V71 PolarHBondContact O-N 3.38Å
48R98.8Very high96.6Very high68 Ų6871.5 Ų71.526%0.25735%0.353SS..EExtended strand (participates in β ladder)trans-114.9132.9172.6-82.6170.9178.577-0.3110.3D44 V71 L73 L258 E263D44-R48 IonicContact OD1-CZ 3.86Å; D44-R48 IonicContact OD1-NH1 3.62Å; D44-R48 PolarHBondContact OD1-NH1 3.16Å; D44-R48 IonicContact OD1-NH2 2.98Å; D44-R48 IonicContact OD2-CZ 3.35Å; D44-R48 IonicContact OD2-NH1 3.69Å; D44-R48 PolarHBondContact OD2-NH1 2.91Å; D44-R48 IonicContact OD2-NH2 3.87Å; D44-R48 PolarHBondContact OD2-NH2 3.29Å; R48-V71 VanDerWaalsContact CA-O 3.29Å; R48-V71 WeakPolarHBondContact CA-O 3.46Å; R48-V71 HydrophobicContact CG-CB 3.68Å; R48-V71 HydrophobicContact CG-CG1 3.86Å; R48-L73 HydrophobicContact CB-CD1 4.36Å; R48-L73 HydrophobicContact CB-CD2 4.49Å; R48-L73 HydrophobicContact CB-CG 4.43Å; R48-L73 HydrophobicContact CG-CD2 4.27Å; R48-L258 PolarHBondContact NH2-O 3.02Å; R48-E263 IonicContact CZ-OE1 3.95Å; R48-E263 IonicContact NE-OE1 3.57Å; R48-E263 PolarHBondContact NE-OE1 2.85Å; R48-E263 IonicContact NE-OE2 2.85Å; R48-E263 IonicContact NH2-OE1 2.57Å; R48-E263 IonicContact NH2-OE2 2.86Å; R48-E263 PolarHBondContact NH2-OE2 3.07Å
49V98.5Very high96.7Very high17 Ų1769.7 Ų69.710%0.10334%0.341CS..EExtended strand (participates in β ladder)trans-132.3138.2178.9-175.20000110.4E47 A51 L54 F63 V70 V71 L72 L73E47-V49 HydrophobicContact CG-CG2 4.08Å; V49-A51 PolarHBondContact O-N 2.95Å; V49-L54 HydrophobicContact CG1-CB 4.25Å; V49-L54 HydrophobicContact CG1-CD1 4.19Å; V49-L54 HydrophobicContact CG1-CD2 4.03Å; V49-L54 HydrophobicContact CG1-CG 4.4Å; V49-F63 HydrophobicContact CG2-CE2 4.12Å; V49-F63 HydrophobicContact CG2-CZ 3.64Å; V49-V70 HydrophobicContact CB-CG2 4.46Å; V49-V70 HydrophobicContact CG2-CG2 3.97Å; V49-V71 PolarHBondContact N-O 3.27Å; V49-L72 WeakPolarHBondContact O-CA 3.36Å; V49-L73 PolarHBondContact O-N 2.86Å
50D98.6Very high97Very high46 Ų4668.4 Ų68.425%0.24634%0.336CS..EExtended strand (participates in β ladder)trans-74.1115.6174-176.31000110.9L52 R53 L54 N74D50-L52 PolarHBondContact O-N 3.06Å; D50-L52 WeakPolarHBondContact OD1-CB 3.49Å; D50-L52 PolarHBondContact OD1-N 2.72Å; D50-R53 PolarHBondContact O-N 2.86Å; D50-R53 VanDerWaalsContact O-N 3.12Å; D50-L54 PolarHBondContact O-N 2.78Å; D50-N74 VanDerWaalsContact CG-ND2 3.3Å; D50-N74 PolarHBondContact OD1-ND2 3.16Å
51A97.7Very high97.4Very high15 Ų1563.5 Ų63.512%0.12432%0.32CS..G310 helixtrans-63.8-24.8179.500000113.3V49 R53 L54 L73 C75 F155V49-A51 PolarHBondContact O-N 2.95Å; A51-R53 PolarHBondContact O-N 2.92Å; A51-L54 PolarHBondContact O-N 3.33Å; A51-L73 WeakPolarHBondContact CB-O 3.38Å; A51-L73 PolarHBondContact N-O 3.33Å; A51-C75 WeakPolarHBondContact CB-SG 3.28Å; A51-F155 HydrophobicContact CB-CE2 3.84Å; A51-F155 HydrophobicContact CB-CZ 4.17Å
52L96.9Very high97.9Very high125 Ų12564.9 Ų64.965%0.65432%0.316SS*.G310 helixtrans-70.5-17.3177.6-59.5178.4000112.5D50 N74D50-L52 PolarHBondContact O-N 3.06Å; D50-L52 WeakPolarHBondContact OD1-CB 3.49Å; D50-L52 PolarHBondContact OD1-N 2.72Å; L52-N74 HydrophobicContact CD1-CB 3.97Å; L52-N74 HydrophobicContact CG-CB 3.85Å
53R97.4Very high98.1Very high211 Ų21164.2 Ų64.280%0.79631%0.312SS*.G310 helixtrans-116.616.7-178.3-59.6-177.464-179.4-0.2112.5D50 A51D50-R53 PolarHBondContact O-N 2.86Å; D50-R53 VanDerWaalsContact O-N 3.12Å; A51-R53 PolarHBondContact O-N 2.92Å
54L97.9Very high98.3Very high11 Ų1159.1 Ų59.16%0.05829%0.29CS..  trans-124.4114.7-177.7-173.368.8000109.5V49 D50 A51 E58 F59 F63 L72 F155V49-L54 HydrophobicContact CG1-CB 4.25Å; V49-L54 HydrophobicContact CG1-CD1 4.19Å; V49-L54 HydrophobicContact CG1-CD2 4.03Å; V49-L54 HydrophobicContact CG1-CG 4.4Å; D50-L54 PolarHBondContact O-N 2.78Å; A51-L54 PolarHBondContact O-N 3.33Å; L54-E58 HydrophobicContact CD1-CB 3.66Å; L54-F59 HydrophobicContact CD2-CB 3.89Å; L54-F59 HydrophobicContact CD2-CD2 3.97Å; L54-F59 HydrophobicContact CD2-CG 4.42Å; L54-F59 HydrophobicContact CG-CB 4.16Å; L54-F63 HydrophobicContact CD1-CE2 4.35Å; L54-F63 HydrophobicContact CD2-CD2 4.41Å; L54-F63 HydrophobicContact CD2-CE2 4.16Å; L54-L72 HydrophobicContact CD2-CD2 3.94Å; L54-F155 HydrophobicContact CB-CZ 4.22Å; L54-F155 HydrophobicContact CD2-CE1 4.28Å; L54-F155 HydrophobicContact CD2-CZ 4.14Å; L54-F155 HydrophobicContact CG-CE1 4.27Å; L54-F155 HydrophobicContact CG-CZ 4.33Å; L54-F155 WeakPolarHBondContact O-CE1 3.44Å; L54-F155 WeakPolarHBondContact O-CZ 3.47Å
55S98.3Very high98.3Very high41 Ų4164.4 Ų64.429%0.28731%0.306SS..  trans-73.3157.1172.461.60000111.7E57 E58 F59S55-E57 VanDerWaalsContact C-N 3.27Å; S55-E57 PolarHBondContact O-N 2.85Å; S55-E58 WeakPolarHBondContact CB-OE2 3.24Å; S55-E58 PolarHBondContact N-OE2 2.85Å; S55-E58 PolarHBondContact O-N 2.98Å; S55-E58 WeakPolarHBondContact OG-CB 3.42Å; S55-E58 WeakPolarHBondContact OG-CG 3.41Å; S55-E58 PolarHBondContact OG-N 2.92Å; S55-E58 PolarHBondContact OG-OE2 2.99Å; S55-F59 PolarHBondContact O-N 2.71Å
56P97.8Very high98.3Very high40 Ų4063.6 Ų63.626%0.2631%0.306SS..Hα-helixtrans-54.5-40.6173-27.637.1000113.5F59 I60 L154P56-F59 PolarHBondContact O-N 2.95Å; P56-I60 VanDerWaalsContact O-CG1 3.24Å; P56-I60 WeakPolarHBondContact O-CG1 3.34Å; P56-I60 PolarHBondContact O-N 3.19Å; P56-L154 HydrophobicContact CG-CD2 3.65Å; P56-L154 HydrophobicContact CG-CG 3.99Å
57E98.1Very high98.3Very high132 Ų13265 Ų6562%0.61731%0.31SS*.Hα-helixtrans-67.1-40.2-179.9-65.270.9-156.700111.9S55 I60 S61S55-E57 VanDerWaalsContact C-N 3.27Å; S55-E57 PolarHBondContact O-N 2.85Å; E57-I60 PolarHBondContact O-N 3.06Å; E57-S61 WeakPolarHBondContact O-CB 3.24Å; E57-S61 PolarHBondContact O-N 3.15Å; E57-S61 PolarHBondContact O-OG 3.3Å
58E98.4Very high98.3Very high86 Ų8666.5 Ų66.540%0.40232%0.315SS..Hα-helixtrans-66.2-40.6173-73.3168.3136.100111.5L54 S55 S61 R62L54-E58 HydrophobicContact CD1-CB 3.66Å; S55-E58 WeakPolarHBondContact CB-OE2 3.24Å; S55-E58 PolarHBondContact N-OE2 2.85Å; S55-E58 PolarHBondContact O-N 2.98Å; S55-E58 WeakPolarHBondContact OG-CB 3.42Å; S55-E58 WeakPolarHBondContact OG-CG 3.41Å; S55-E58 PolarHBondContact OG-N 2.92Å; S55-E58 PolarHBondContact OG-OE2 2.99Å; E58-S61 WeakPolarHBondContact CA-OG 3.48Å; E58-S61 PolarHBondContact O-N 2.8Å; E58-S61 PolarHBondContact O-OG 3.02Å; E58-S61 VanDerWaalsContact O-OG 3.11Å; E58-R62 VanDerWaalsContact O-CB 3.24Å; E58-R62 WeakPolarHBondContact O-CB 3.5Å; E58-R62 WeakPolarHBondContact O-CG 3.42Å; E58-R62 PolarHBondContact O-N 3.34Å
59F98.7Very high98.3Very high1 Ų163.5 Ų63.50%0.00431%0.305CS..Hα-helixtrans-60.5-47.5175.2173.3-96.8000111.3L54 S55 P56 F63 E64 V70 L72 F155 F156 F266L54-F59 HydrophobicContact CD2-CB 3.89Å; L54-F59 HydrophobicContact CD2-CD2 3.97Å; L54-F59 HydrophobicContact CD2-CG 4.42Å; L54-F59 HydrophobicContact CG-CB 4.16Å; S55-F59 PolarHBondContact O-N 2.71Å; P56-F59 PolarHBondContact O-N 2.95Å; F59-F63 HydrophobicContact CD2-CB 4.19Å; F59-F63 AromaticContact CD2-CD2 3.84Å; F59-F63 HydrophobicContact CD2-CD2 3.84Å; F59-F63 HydrophobicContact CD2-CG 4.43Å; F59-F63 HydrophobicContact CE2-CB 4Å; F59-F63 HydrophobicContact CE2-CD2 4.34Å; F59-F63 WeakPolarHBondContact O-CA 3.13Å; F59-F63 WeakPolarHBondContact O-CB 3.3Å; F59-F63 PolarHBondContact O-N 2.85Å; F59-E64 HydrophobicContact CD1-CB 4.31Å; F59-E64 HydrophobicContact CE1-CB 3.83Å; F59-E64 HydrophobicContact CE1-CG 4.3Å; F59-E64 HydrophobicContact CZ-CB 4.44Å; F59-E64 PolarHBondContact O-N 3.08Å; F59-E64 VanDerWaalsContact O-N 3.16Å; F59-V70 HydrophobicContact CE2-CG1 4.19Å; F59-L72 HydrophobicContact CD2-CD2 4.33Å; F59-L72 HydrophobicContact CE2-CD1 4.23Å; F59-L72 HydrophobicContact CE2-CD2 4.4Å; F59-F155 HydrophobicContact CB-CD1 3.56Å; F59-F155 HydrophobicContact CB-CE1 3.88Å; F59-F155 HydrophobicContact CB-CG 4.32Å; F59-F155 HydrophobicContact CD1-CB 3.75Å; F59-F155 HydrophobicContact CD1-CD1 4.05Å; F59-F155 HydrophobicContact CD1-CG 4.12Å; F59-F155 HydrophobicContact CD2-CD1 4.29Å; F59-F155 HydrophobicContact CD2-CG 4.24Å; F59-F155 HydrophobicContact CE1-CB 3.88Å; F59-F155 HydrophobicContact CG-CB 4.09Å; F59-F155 AromaticContact CG-CD1 3.69Å; F59-F155 HydrophobicContact CG-CD1 3.69Å; F59-F155 HydrophobicContact CG-CE1 4.36Å; F59-F155 AromaticContact CG-CG 3.94Å; F59-F155 HydrophobicContact CG-CG 3.94Å; F59-F155 HydrophobicContact CZ-CB 4.34Å; F59-F156 HydrophobicContact CE1-CE1 4.07Å; F59-F156 HydrophobicContact CE2-CE1 4.44Å; F59-F156 AromaticContact CZ-CE1 3.66Å; F59-F156 HydrophobicContact CZ-CE1 3.66Å; F59-F156 HydrophobicContact CZ-CZ 4.24Å; F59-F266 HydrophobicContact CE2-CB 4.48Å; F59-F266 HydrophobicContact CE2-CD1 4.12Å; F59-F266 HydrophobicContact CE2-CG 4.22Å; F59-F266 HydrophobicContact CZ-CB 4.46Å; F59-F266 AromaticContact CZ-CD1 3.83Å; F59-F266 HydrophobicContact CZ-CD1 3.83Å; F59-F266 HydrophobicContact CZ-CD2 4.03Å; F59-F266 HydrophobicContact CZ-CE1 4.02Å; F59-F266 HydrophobicContact CZ-CE2 4.24Å; F59-F266 AromaticContact CZ-CG 3.83Å; F59-F266 HydrophobicContact CZ-CG 3.83Å; F59-F266 HydrophobicContact CZ-CZ 4.23Å
60I98.6Very high98.3Very high49 Ų4962.7 Ų62.725%0.25130%0.3SS..Iπ-helixtrans-61.5-48.6179.4-67.9164.7000110.4P56 E57 E64 R65P56-I60 VanDerWaalsContact O-CG1 3.24Å; P56-I60 WeakPolarHBondContact O-CG1 3.34Å; P56-I60 PolarHBondContact O-N 3.19Å; E57-I60 PolarHBondContact O-N 3.06Å; I60-E64 PolarHBondContact O-N 3.23Å; I60-R65 HydrophobicContact CG2-CB 4.37Å; I60-R65 WeakPolarHBondContact O-CB 3.29Å; I60-R65 PolarHBondContact O-N 2.89Å
61S98.6Very high98.3Very high62 Ų6260.5 Ų60.543%0.43429%0.288SS..Iπ-helixtrans-68.8-38-176.456.70000113.6E57 E58 P66E57-S61 WeakPolarHBondContact O-CB 3.24Å; E57-S61 PolarHBondContact O-N 3.15Å; E57-S61 PolarHBondContact O-OG 3.3Å; E58-S61 WeakPolarHBondContact CA-OG 3.48Å; E58-S61 PolarHBondContact O-N 2.8Å; E58-S61 PolarHBondContact O-OG 3.02Å; E58-S61 VanDerWaalsContact O-OG 3.11Å; S61-P66 WeakPolarHBondContact O-CD 3.43Å
62R98.6Very high98.4Very high109 Ų10959.8 Ų59.841%0.41128%0.282SS..Iπ-helixtrans-88.4-29.1-175.9-67.4174.358.2-176-2.4114.4E47 E58 P66E47-R62 IonicContact OE1-NH2 3.69Å; E47-R62 PolarHBondContact OE1-NH2 3.37Å; E58-R62 VanDerWaalsContact O-CB 3.24Å; E58-R62 WeakPolarHBondContact O-CB 3.5Å; E58-R62 WeakPolarHBondContact O-CG 3.42Å; E58-R62 PolarHBondContact O-N 3.34Å; R62-P66 VanDerWaalsContact C-CG 3.45Å; R62-P66 WeakPolarHBondContact O-CG 3.5Å
63F98.7Very high98.4Very high1 Ų156.4 Ų56.40%0.00426%0.264CS..Iπ-helixtrans-127.3-57-169.3-54.7-65000113.3E47 V49 L54 F59 P66 Y67 K68 V70 F266E47-F63 WeakPolarHBondContact OE1-CZ 3.38Å; V49-F63 HydrophobicContact CG2-CE2 4.12Å; V49-F63 HydrophobicContact CG2-CZ 3.64Å; L54-F63 HydrophobicContact CD1-CE2 4.35Å; L54-F63 HydrophobicContact CD2-CD2 4.41Å; L54-F63 HydrophobicContact CD2-CE2 4.16Å; F59-F63 HydrophobicContact CD2-CB 4.19Å; F59-F63 AromaticContact CD2-CD2 3.84Å; F59-F63 HydrophobicContact CD2-CD2 3.84Å; F59-F63 HydrophobicContact CD2-CG 4.43Å; F59-F63 HydrophobicContact CE2-CB 4Å; F59-F63 HydrophobicContact CE2-CD2 4.34Å; F59-F63 WeakPolarHBondContact O-CA 3.13Å; F59-F63 WeakPolarHBondContact O-CB 3.3Å; F59-F63 PolarHBondContact O-N 2.85Å; F63-P66 WeakPolarHBondContact O-CD 3.42Å; F63-Y67 PolarHBondContact O-N 3.1Å; F63-K68 HydrophobicContact CD1-CB 4.46Å; F63-K68 HydrophobicContact CD1-CD 4.16Å; F63-K68 HydrophobicContact CD1-CG 4.44Å; F63-K68 HydrophobicContact CE1-CD 4.36Å; F63-K68 PolarHBondContact O-N 2.91Å; F63-V70 HydrophobicContact CB-CG1 4.07Å; F63-V70 HydrophobicContact CD1-CB 3.62Å; F63-V70 HydrophobicContact CD1-CG1 3.84Å; F63-V70 HydrophobicContact CD1-CG2 3.95Å; F63-V70 HydrophobicContact CD2-CG1 4.13Å; F63-V70 HydrophobicContact CE1-CB 3.85Å; F63-V70 HydrophobicContact CE1-CG1 4.36Å; F63-V70 HydrophobicContact CE1-CG2 3.64Å; F63-V70 HydrophobicContact CE2-CG2 4.37Å; F63-V70 HydrophobicContact CG-CB 4.07Å; F63-V70 HydrophobicContact CG-CG1 3.72Å; F63-V70 HydrophobicContact CG-CG2 4.46Å; F63-V70 HydrophobicContact CZ-CB 4.46Å; F63-V70 HydrophobicContact CZ-CG2 3.88Å; F63-F266 HydrophobicContact CB-CD1 4.37Å; F63-F266 HydrophobicContact CB-CE1 4.36Å
64E98.6Very high98.5Very high8 Ų848.9 Ų48.94%0.03724%0.24CC..Iπ-helixtrans-68.4-52.7-172.2-159.1-170.4-158.200112.6F59 I60 Y67 F266 S290 T292F59-E64 HydrophobicContact CD1-CB 4.31Å; F59-E64 HydrophobicContact CE1-CB 3.83Å; F59-E64 HydrophobicContact CE1-CG 4.3Å; F59-E64 HydrophobicContact CZ-CB 4.44Å; F59-E64 PolarHBondContact O-N 3.08Å; F59-E64 VanDerWaalsContact O-N 3.16Å; I60-E64 PolarHBondContact O-N 3.23Å; E64-Y67 PolarHBondContact O-N 3.44Å; E64-Y67 VanDerWaalsContact O-N 3.09Å; E64-F266 HydrophobicContact CB-CZ 4.29Å; E64-F266 HydrophobicContact CG-CZ 3.93Å; E64-S290 WeakPolarHBondContact OE1-CB 3.15Å; E64-S290 PolarHBondContact OE1-OG 2.66Å; E64-T292 HydrophobicContact CB-CG2 4.43Å; E64-T292 HydrophobicContact CG-CG2 3.95Å; E64-T292 WeakPolarHBondContact OE2-CB 3.3Å; E64-T292 PolarHBondContact OE2-OG1 2.95Å
65R98.3Very high98.5Very high163 Ų16349.1 Ų49.162%0.61524%0.243SC*.THydrogen-bonded Turntrans-63.2-42.3-179.5-171.4-177.3-60.8152.32.9113.5I60 Y67 T292I60-R65 HydrophobicContact CG2-CB 4.37Å; I60-R65 WeakPolarHBondContact O-CB 3.29Å; I60-R65 PolarHBondContact O-N 2.89Å; R65-Y67 WeakPolarHBondContact O-CD2 3.44Å; R65-Y67 PolarHBondContact O-N 3.29Å; R65-T292 HydrophobicContact CB-CG2 4.26Å
66P98.1Very high98.4Very high74 Ų7447.3 Ų47.348%0.48123%0.229SC..THydrogen-bonded Turntrans-80.25.2173.931.7-36000113.8S61 R62 F63 K68S61-P66 WeakPolarHBondContact O-CD 3.43Å; R62-P66 VanDerWaalsContact C-CG 3.45Å; R62-P66 WeakPolarHBondContact O-CG 3.5Å; F63-P66 WeakPolarHBondContact O-CD 3.42Å; P66-K68 VanDerWaalsContact C-N 3.31Å; P66-K68 HydrophobicContact CG-CB 4.32Å; P66-K68 PolarHBondContact O-N 2.91Å
67Y98.4Very high98.3Very high45 Ų4549.8 Ų49.818%0.17624%0.237CC..THydrogen-bonded Turntrans53.745-177.3-74.9-103.7000113F63 E64 R65 P268 G269 W271 N293 I296 I338F63-Y67 PolarHBondContact O-N 3.1Å; E64-Y67 PolarHBondContact O-N 3.44Å; E64-Y67 VanDerWaalsContact O-N 3.09Å; R65-Y67 WeakPolarHBondContact O-CD2 3.44Å; R65-Y67 PolarHBondContact O-N 3.29Å; Y67-P268 VanDerWaalsContact C-CG 3.46Å; Y67-P268 HydrophobicContact CD1-CB 3.72Å; Y67-P268 HydrophobicContact CG-CB 4.2Å; Y67-P268 WeakPolarHBondContact O-CG 3.36Å; Y67-G269 VanDerWaalsContact CD1-O 3.25Å; Y67-G269 WeakPolarHBondContact CD1-O 3.49Å; Y67-G269 WeakPolarHBondContact CE1-O 3.28Å; Y67-W271 PolarHBondContact O-NE1 2.9Å; Y67-N293 WeakPolarHBondContact OH-CA 3.42Å; Y67-N293 WeakPolarHBondContact OH-CB 3.27Å; Y67-I296 WeakPolarHBondContact OH-CD1 3.33Å; Y67-I338 HydrophobicContact CD1-CD1 4.32Å; Y67-I338 HydrophobicContact CE1-CD1 3.84Å
68K98.7Very high98.2Very high92 Ų9247.1 Ų47.140%0.423%0.233SC..  trans-102118.3-178.2-173.6-175.9-176.8-172.80110.8E47 F63 P66E47-K68 WeakPolarHBondContact OE2-CE 3.49Å; E47-K68 IonicContact OE2-NZ 3.85Å; E47-K68 PolarHBondContact OE2-NZ 2.85Å; F63-K68 HydrophobicContact CD1-CB 4.46Å; F63-K68 HydrophobicContact CD1-CD 4.16Å; F63-K68 HydrophobicContact CD1-CG 4.44Å; F63-K68 HydrophobicContact CE1-CD 4.36Å; F63-K68 PolarHBondContact O-N 2.91Å; P66-K68 VanDerWaalsContact C-N 3.31Å; P66-K68 HydrophobicContact CG-CB 4.32Å; P66-K68 PolarHBondContact O-N 2.91Å
69P98.8Very high98.2Very high6 Ų643.3 Ų43.34%0.03922%0.215CC..  trans-61.6145173.1-17.828.8000111.5L208 L255 P268 W271P69-L208 HydrophobicContact CB-CD2 4.18Å; P69-L208 HydrophobicContact CG-CD2 4.24Å; P69-L255 HydrophobicContact CB-CD2 3.68Å; P69-L255 HydrophobicContact CG-CD2 3.83Å; P69-P268 HydrophobicContact CG-CG 4.07Å; P69-W271 HydrophobicContact CG-CD2 3.61Å; P69-W271 HydrophobicContact CG-CE3 3.81Å; P69-W271 HydrophobicContact CG-CG 4.19Å; P69-W271 HydrophobicContact CG-CH2 3.95Å; P69-W271 HydrophobicContact CG-CZ2 3.76Å; P69-W271 HydrophobicContact CG-CZ3 3.97Å
70V98.9Very high98.2Very high0 Ų045.6 Ų45.60%023%0.23CC..EExtended strand (participates in β ladder)trans-151.1151.717967.30000110.2E47 V49 F59 F63 L72 F266E47-V70 HydrophobicContact CB-CG2 4.39Å; E47-V70 WeakPolarHBondContact O-CG2 3.49Å; V49-V70 HydrophobicContact CB-CG2 4.46Å; V49-V70 HydrophobicContact CG2-CG2 3.97Å; F59-V70 HydrophobicContact CE2-CG1 4.19Å; F63-V70 HydrophobicContact CB-CG1 4.07Å; F63-V70 HydrophobicContact CD1-CB 3.62Å; F63-V70 HydrophobicContact CD1-CG1 3.84Å; F63-V70 HydrophobicContact CD1-CG2 3.95Å; F63-V70 HydrophobicContact CD2-CG1 4.13Å; F63-V70 HydrophobicContact CE1-CB 3.85Å; F63-V70 HydrophobicContact CE1-CG1 4.36Å; F63-V70 HydrophobicContact CE1-CG2 3.64Å; F63-V70 HydrophobicContact CE2-CG2 4.37Å; F63-V70 HydrophobicContact CG-CB 4.07Å; F63-V70 HydrophobicContact CG-CG1 3.72Å; F63-V70 HydrophobicContact CG-CG2 4.46Å; F63-V70 HydrophobicContact CZ-CB 4.46Å; F63-V70 HydrophobicContact CZ-CG2 3.88Å; V70-L72 HydrophobicContact CG1-CD2 4.04Å; V70-L72 HydrophobicContact CG1-CG 4.36Å; V70-F266 HydrophobicContact CG1-CB 4.01Å; V70-F266 HydrophobicContact CG1-CD1 4.15Å; V70-F266 PolarHBondContact O-N 3.1Å
71V98.9Very high98.2Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-99.6119.9169.4177.10000109.4V46 E47 R48 V49 L73 V257 E263 V265V46-V71 HydrophobicContact CG1-CB 4.48Å; V46-V71 HydrophobicContact CG1-CG2 3.52Å; V46-V71 HydrophobicContact CG2-CG2 4.26Å; E47-V71 PolarHBondContact O-N 3.38Å; R48-V71 VanDerWaalsContact CA-O 3.29Å; R48-V71 WeakPolarHBondContact CA-O 3.46Å; R48-V71 HydrophobicContact CG-CB 3.68Å; R48-V71 HydrophobicContact CG-CG1 3.86Å; V49-V71 PolarHBondContact N-O 3.27Å; V71-L73 HydrophobicContact CG1-CD2 4.34Å; V71-V257 HydrophobicContact CG2-CG1 3.67Å; V71-E263 HydrophobicContact CG1-CB 3.79Å; V71-E263 HydrophobicContact CG1-CG 4.06Å; V71-V265 HydrophobicContact CG2-CG2 4.18Å
72L98.9Very high98.2Very high0 Ų045.7 Ų45.70%022%0.218CC..EExtended strand (participates in β ladder)trans-92.7124.9176.5-57.3174.3000110.1V49 L54 F59 V70 C75 F155 F156 T264V49-L72 WeakPolarHBondContact O-CA 3.36Å; L54-L72 HydrophobicContact CD2-CD2 3.94Å; F59-L72 HydrophobicContact CD2-CD2 4.33Å; F59-L72 HydrophobicContact CE2-CD1 4.23Å; F59-L72 HydrophobicContact CE2-CD2 4.4Å; V70-L72 HydrophobicContact CG1-CD2 4.04Å; V70-L72 HydrophobicContact CG1-CG 4.36Å; L72-C75 VanDerWaalsContact CB-SG 3.5Å; L72-F155 HydrophobicContact CD1-CD2 3.7Å; L72-F155 HydrophobicContact CD1-CE2 3.99Å; L72-F156 HydrophobicContact CD1-CE2 4.08Å; L72-F156 HydrophobicContact CD1-CZ 3.69Å; L72-T264 PolarHBondContact N-O 2.97Å; L72-T264 PolarHBondContact O-N 3.25Å
73L98.8Very high98.2Very high53 Ų5347.4 Ų47.428%0.27723%0.231SC..EExtended strand (participates in β ladder)trans-89.7155.2173.2-49.4179.7000109.7R48 V49 A51 V71 C75 E263R48-L73 HydrophobicContact CB-CD1 4.36Å; R48-L73 HydrophobicContact CB-CD2 4.49Å; R48-L73 HydrophobicContact CB-CG 4.43Å; R48-L73 HydrophobicContact CG-CD2 4.27Å; V49-L73 PolarHBondContact O-N 2.86Å; A51-L73 WeakPolarHBondContact CB-O 3.38Å; A51-L73 PolarHBondContact N-O 3.33Å; V71-L73 HydrophobicContact CG1-CD2 4.34Å; L73-C75 PolarHBondContact O-N 3.31Å; L73-C75 VanDerWaalsContact O-N 3.12Å; L73-E263 HydrophobicContact CD2-CG 3.86Å
74N98.4Very high98.2Very high54 Ų5450.6 Ų50.629%0.28924%0.244SC..SBendtrans61.918.1171-51.1-34.1000115.8D50 L52 Q76 E77D50-N74 VanDerWaalsContact CG-ND2 3.3Å; D50-N74 PolarHBondContact OD1-ND2 3.16Å; L52-N74 HydrophobicContact CD1-CB 3.97Å; L52-N74 HydrophobicContact CG-CB 3.85Å; N74-Q76 PolarHBondContact O-N 3.14Å; N74-E77 HydrophobicContact CB-CG 4.03Å
75C97.3Very high98.2Very high16 Ų1650.2 Ų50.211%0.10824%0.243CC..THydrogen-bonded Turntrans-71.3-11.3173-75.50000114.1A51 L72 L73 P153 T264A51-C75 WeakPolarHBondContact CB-SG 3.28Å; L72-C75 VanDerWaalsContact CB-SG 3.5Å; L73-C75 PolarHBondContact O-N 3.31Å; L73-C75 VanDerWaalsContact O-N 3.12Å; C75-P153 HydrophobicContact CB-CB 4.42Å; C75-P153 HydrophobicContact CB-CG 4.23Å; C75-T264 WeakPolarHBondContact CB-OG1 3.32Å
76Q98Very high98.2Very high2 Ų244.6 Ų44.61%0.00923%0.226CC..THydrogen-bonded Turntrans-118.810.5-167.4-54.3179.228.500112.6N74 S78 W79 R82 L199 G262 E263 T264N74-Q76 PolarHBondContact O-N 3.14Å; Q76-S78 VanDerWaalsContact C-N 3.29Å; Q76-S78 PolarHBondContact O-N 3.14Å; Q76-W79 HydrophobicContact CB-CB 4.46Å; Q76-W79 HydrophobicContact CB-CD2 3.9Å; Q76-W79 HydrophobicContact CB-CE3 4.11Å; Q76-W79 HydrophobicContact CB-CG 4.08Å; Q76-W79 HydrophobicContact CG-CD2 4.03Å; Q76-W79 HydrophobicContact CG-CE3 3.93Å; Q76-W79 HydrophobicContact CG-CH2 4.21Å; Q76-W79 HydrophobicContact CG-CZ2 4.26Å; Q76-W79 HydrophobicContact CG-CZ3 4.03Å; Q76-W79 VanDerWaalsContact O-CB 3.31Å; Q76-W79 WeakPolarHBondContact O-CB 3.31Å; Q76-W79 PolarHBondContact O-N 2.89Å; Q76-R82 VanDerWaalsContact O-CD 3.29Å; Q76-R82 WeakPolarHBondContact O-CD 3.2Å; Q76-L199 PolarHBondContact NE2-O 2.98Å; Q76-L199 VanDerWaalsContact NE2-O 3.15Å; Q76-L199 PolarHBondContact OE1-O 3.42Å; Q76-G262 VanDerWaalsContact NE2-C 3.32Å; Q76-G262 PolarHBondContact NE2-O 3.32Å; Q76-E263 PolarHBondContact NE2-O 3.44Å; Q76-T264 PolarHBondContact NE2-OG1 3.43Å
77E94.9Very high98.2Very high92 Ų9243.2 Ų43.243%0.4322%0.215SC..THydrogen-bonded Turntrans-58.2-40.4-168.4-73.9-51.5113.800113.4N74 W79 R82N74-E77 HydrophobicContact CB-CG 4.03Å; E77-W79 VanDerWaalsContact C-N 3.32Å; E77-W79 PolarHBondContact O-N 3.02Å; E77-R82 PolarHBondContact O-NH1 3.24Å; E77-R82 IonicContact OE1-CZ 2.73Å; E77-R82 IonicContact OE1-NH1 3.69Å; E77-R82 PolarHBondContact OE1-NH1 2.94Å; E77-R82 IonicContact OE1-NH2 3.87Å; E77-R82 IonicContact OE2-CZ 3.77Å; E77-R82 IonicContact OE2-NH1 3.17Å; E77-R82 PolarHBondContact OE2-NH1 3.34Å; E77-R82 IonicContact OE2-NH2 3.46Å
78S96.6Very high98.2Very high76 Ų7647.2 Ų47.253%0.53124%0.235SC..THydrogen-bonded Turntrans-79.2-8.2179.357.80000114.2Q76 P80 E151Q76-S78 VanDerWaalsContact C-N 3.29Å; Q76-S78 PolarHBondContact O-N 3.14Å; S78-P80 VanDerWaalsContact O-CD 3.24Å; S78-P80 WeakPolarHBondContact O-CD 3.3Å; S78-E151 PolarHBondContact OG-OE1 2.9Å
79W98.6Very high98.2Very high6 Ų647.3 Ų47.32%0.02323%0.233CC..  trans-76120.8-165-72.318.5000112.5Q76 E77 A81 R82 Y150 E151 P153 W196 A198 V200 V284Q76-W79 HydrophobicContact CB-CB 4.46Å; Q76-W79 HydrophobicContact CB-CD2 3.9Å; Q76-W79 HydrophobicContact CB-CE3 4.11Å; Q76-W79 HydrophobicContact CB-CG 4.08Å; Q76-W79 HydrophobicContact CG-CD2 4.03Å; Q76-W79 HydrophobicContact CG-CE3 3.93Å; Q76-W79 HydrophobicContact CG-CH2 4.21Å; Q76-W79 HydrophobicContact CG-CZ2 4.26Å; Q76-W79 HydrophobicContact CG-CZ3 4.03Å; Q76-W79 VanDerWaalsContact O-CB 3.31Å; Q76-W79 WeakPolarHBondContact O-CB 3.31Å; Q76-W79 PolarHBondContact O-N 2.89Å; E77-W79 VanDerWaalsContact C-N 3.32Å; E77-W79 PolarHBondContact O-N 3.02Å; W79-A81 HydrophobicContact CB-CB 4.33Å; W79-A81 HydrophobicContact CE3-CB 4.35Å; W79-A81 PolarHBondContact O-N 2.88Å; W79-R82 PolarHBondContact O-N 3.33Å; W79-Y150 VanDerWaalsContact CD2-CB 3.48Å; W79-Y150 VanDerWaalsContact CE3-CB 3.43Å; W79-Y150 HydrophobicContact CH2-CD2 4.09Å; W79-Y150 HydrophobicContact CH2-CG 4.33Å; W79-Y150 HydrophobicContact CZ2-CD2 4.22Å; W79-Y150 HydrophobicContact CZ3-CG 4.33Å; W79-E151 WeakPolarHBondContact CZ2-O 3.05Å; W79-E151 PolarHBondContact NE1-O 3.16Å; W79-P153 HydrophobicContact CZ2-CG 4.45Å; W79-W196 HydrophobicContact CH2-CH2 4.5Å; W79-W196 HydrophobicContact CH2-CZ3 4.1Å; W79-A198 HydrophobicContact CH2-CB 3.45Å; W79-A198 VanDerWaalsContact CH2-CB 3.45Å; W79-A198 HydrophobicContact CZ3-CB 3.71Å; W79-V200 HydrophobicContact CE3-CG2 4.27Å; W79-V200 HydrophobicContact CZ3-CG2 4.27Å; W79-V284 HydrophobicContact CH2-CG1 3.79Å; W79-V284 HydrophobicContact CZ3-CG1 3.64Å
80P98.7Very high98.2Very high49 Ų4947.1 Ų47.132%0.31823%0.232SC..THydrogen-bonded Turntrans-60.2-20.3171.4-23.734.3000113.6S78 R82 E83 K84 D149S78-P80 VanDerWaalsContact O-CD 3.24Å; S78-P80 WeakPolarHBondContact O-CD 3.3Å; P80-R82 PolarHBondContact O-N 2.89Å; P80-E83 PolarHBondContact O-N 3.34Å; P80-K84 HydrophobicContact CB-CD 3.73Å; P80-K84 HydrophobicContact CB-CG 4.46Å; P80-K84 VanDerWaalsContact O-CB 3.29Å; P80-K84 WeakPolarHBondContact O-CB 3.13Å; P80-K84 WeakPolarHBondContact O-CG 3.25Å; P80-K84 PolarHBondContact O-N 3.33Å; P80-D149 WeakPolarHBondContact CD-O 3.33Å
81A98.7Very high98.2Very high0 Ų049.4 Ų49.40%024%0.242CC..Hα-helixtrans-53.6-35174.800000113.1W79 E83 K84 W85 D149 V200W79-A81 HydrophobicContact CB-CB 4.33Å; W79-A81 HydrophobicContact CE3-CB 4.35Å; W79-A81 PolarHBondContact O-N 2.88Å; A81-E83 PolarHBondContact O-N 3.12Å; A81-E83 VanDerWaalsContact O-N 3.1Å; A81-K84 PolarHBondContact O-N 2.81Å; A81-W85 HydrophobicContact CB-CB 4.48Å; A81-W85 HydrophobicContact CB-CD2 3.49Å; A81-W85 VanDerWaalsContact CB-CD2 3.49Å; A81-W85 HydrophobicContact CB-CE3 3.77Å; A81-W85 HydrophobicContact CB-CG 3.82Å; A81-W85 HydrophobicContact CB-CH2 4.33Å; A81-W85 HydrophobicContact CB-CZ2 4.1Å; A81-W85 HydrophobicContact CB-CZ3 4.19Å; A81-W85 VanDerWaalsContact O-CB 3.28Å; A81-W85 WeakPolarHBondContact O-CB 3.4Å; A81-W85 PolarHBondContact O-N 3.32Å; A81-D149 HydrophobicContact CB-CB 4.23Å; A81-D149 WeakPolarHBondContact CB-O 3.5Å; A81-D149 PolarHBondContact N-O 2.87Å; A81-V200 HydrophobicContact CB-CG1 4.06Å; A81-V200 HydrophobicContact CB-CG2 4.18Å
82R98.1Very high98.2Very high113 Ų11356.4 Ų56.443%0.42627%0.268SS..Hα-helixtrans-52.4-37.5179.6-68.4175.271.3175.615112.3Q76 E77 W79 P80 Q201Q76-R82 VanDerWaalsContact O-CD 3.29Å; Q76-R82 WeakPolarHBondContact O-CD 3.2Å; E77-R82 PolarHBondContact O-NH1 3.24Å; E77-R82 IonicContact OE1-CZ 2.73Å; E77-R82 IonicContact OE1-NH1 3.69Å; E77-R82 PolarHBondContact OE1-NH1 2.94Å; E77-R82 IonicContact OE1-NH2 3.87Å; E77-R82 IonicContact OE2-CZ 3.77Å; E77-R82 IonicContact OE2-NH1 3.17Å; E77-R82 PolarHBondContact OE2-NH1 3.34Å; E77-R82 IonicContact OE2-NH2 3.46Å; W79-R82 PolarHBondContact O-N 3.33Å; P80-R82 PolarHBondContact O-N 2.89Å; R82-Q201 PolarHBondContact O-NE2 3.39Å
83E98.1Very high98.1Very high146 Ų14661.2 Ų61.268%0.68229%0.289SS*.Hα-helixtrans-100.5-34.1177.6-60.6-179.7-177.500113.5P80 A81 R89P80-E83 PolarHBondContact O-N 3.34Å; A81-E83 PolarHBondContact O-N 3.12Å; A81-E83 VanDerWaalsContact O-N 3.1Å; E83-R89 VanDerWaalsContact O-CD 3.32Å; E83-R89 WeakPolarHBondContact O-CD 3.05Å; E83-R89 PolarHBondContact O-NH1 3.22Å
84K98.6Very high98.1Very high67 Ų6758.9 Ų58.929%0.29128%0.277SS..Hα-helixtrans-82.8-28.6-171.3-70.9175.9-178.41670113.1P80 A81 T86 R89 D149P80-K84 HydrophobicContact CB-CD 3.73Å; P80-K84 HydrophobicContact CB-CG 4.46Å; P80-K84 VanDerWaalsContact O-CB 3.29Å; P80-K84 WeakPolarHBondContact O-CB 3.13Å; P80-K84 WeakPolarHBondContact O-CG 3.25Å; P80-K84 PolarHBondContact O-N 3.33Å; A81-K84 PolarHBondContact O-N 2.81Å; K84-T86 VanDerWaalsContact C-N 3.32Å; K84-T86 PolarHBondContact O-N 3.24Å; K84-T86 VanDerWaalsContact O-N 3.14Å; K84-R89 WeakPolarHBondContact O-CB 3.09Å; K84-D149 WeakPolarHBondContact CD-OD1 3.19Å; K84-D149 WeakPolarHBondContact CE-OD1 3.26Å; K84-D149 IonicContact NZ-OD1 3.09Å; K84-D149 PolarHBondContact NZ-OD1 2.97Å
85W98.7Very high98.1Very high1 Ų162.3 Ų62.30%0.00429%0.285CS..  trans-91.370.5-175.6-67.88.2000110.5A81 L90 L146 D149 Y150 F175 V200 Q201 I282 V284A81-W85 HydrophobicContact CB-CB 4.48Å; A81-W85 HydrophobicContact CB-CD2 3.49Å; A81-W85 VanDerWaalsContact CB-CD2 3.49Å; A81-W85 HydrophobicContact CB-CE3 3.77Å; A81-W85 HydrophobicContact CB-CG 3.82Å; A81-W85 HydrophobicContact CB-CH2 4.33Å; A81-W85 HydrophobicContact CB-CZ2 4.1Å; A81-W85 HydrophobicContact CB-CZ3 4.19Å; A81-W85 VanDerWaalsContact O-CB 3.28Å; A81-W85 WeakPolarHBondContact O-CB 3.4Å; A81-W85 PolarHBondContact O-N 3.32Å; W85-L90 HydrophobicContact CB-CD1 4.35Å; W85-L146 HydrophobicContact CZ2-CD2 4.16Å; W85-D149 HydrophobicContact CZ2-CB 4.03Å; W85-D149 VanDerWaalsContact NE1-CB 3.34Å; W85-D149 PolarHBondContact NE1-OD2 2.83Å; W85-Y150 AromaticContact CH2-CD1 3.91Å; W85-Y150 HydrophobicContact CH2-CD1 3.91Å; W85-Y150 HydrophobicContact CZ2-CD1 4.01Å; W85-F175 HydrophobicContact CD2-CE2 4.24Å; W85-F175 HydrophobicContact CE3-CE2 4.17Å; W85-F175 HydrophobicContact CH2-CD2 4.21Å; W85-F175 HydrophobicContact CH2-CE2 4.41Å; W85-F175 HydrophobicContact CZ2-CD2 4.41Å; W85-F175 HydrophobicContact CZ2-CE2 4.47Å; W85-F175 HydrophobicContact CZ3-CD2 4.35Å; W85-F175 HydrophobicContact CZ3-CE2 4.26Å; W85-V200 HydrophobicContact CB-CG1 4.34Å; W85-V200 HydrophobicContact CE3-CB 4.06Å; W85-V200 HydrophobicContact CE3-CG1 4.3Å; W85-V200 HydrophobicContact CE3-CG2 3.69Å; W85-V200 HydrophobicContact CZ3-CG2 3.79Å; W85-Q201 VanDerWaalsContact O-CG 3.25Å; W85-Q201 WeakPolarHBondContact O-CG 3.44Å; W85-I282 HydrophobicContact CB-CG2 4.17Å; W85-I282 HydrophobicContact CD2-CG2 4.27Å; W85-I282 HydrophobicContact CE3-CG2 3.69Å; W85-I282 HydrophobicContact CZ3-CG2 4.47Å; W85-I282 VanDerWaalsContact O-CD1 3.32Å; W85-I282 WeakPolarHBondContact O-CD1 3.39Å; W85-V284 HydrophobicContact CH2-CB 4Å; W85-V284 HydrophobicContact CH2-CG1 4.1Å; W85-V284 HydrophobicContact CZ3-CB 4.16Å; W85-V284 HydrophobicContact CZ3-CG1 4.22Å
86T98.6Very high98.2Very high44 Ų4465.2 Ų65.227%0.2730%0.3SS..SBendtrans-115.6156.2168.571.40000109.7K84 E88 R89 L90K84-T86 VanDerWaalsContact C-N 3.32Å; K84-T86 PolarHBondContact O-N 3.24Å; K84-T86 VanDerWaalsContact O-N 3.14Å; T86-E88 VanDerWaalsContact C-N 3.25Å; T86-E88 PolarHBondContact O-N 2.84Å; T86-R89 PolarHBondContact O-N 3.23Å; T86-R89 WeakPolarHBondContact OG1-CB 3.46Å; T86-R89 WeakPolarHBondContact OG1-CG 3.43Å; T86-R89 PolarHBondContact OG1-N 3.46Å; T86-L90 WeakPolarHBondContact O-CB 3.47Å; T86-L90 VanDerWaalsContact O-CG 3.3Å; T86-L90 WeakPolarHBondContact O-CG 3.35Å; T86-L90 PolarHBondContact O-N 3.37Å
87L97.9Very high98.2Very high46 Ų4667.3 Ų67.324%0.24131%0.31CS..Hα-helixtrans-51-47.2177.5-69.3-173.2000111.7K91 L121 M177 T280L87-K91 WeakPolarHBondContact O-CB 3.48Å; L87-K91 PolarHBondContact O-N 2.84Å; L87-L121 HydrophobicContact CD1-CD2 4.19Å; L87-L121 HydrophobicContact CD2-CD1 4.32Å; L87-M177 HydrophobicContact CD2-CE 3.14Å; L87-T280 HydrophobicContact CD1-CG2 4.16Å; L87-T280 HydrophobicContact CD2-CG2 3.86Å; L87-T280 HydrophobicContact CG-CG2 4.17Å
88E98.1Very high98.4Very high129 Ų12968.7 Ų68.760%0.60331%0.314SS*.Hα-helixtrans-62.9-51.1-178.7-167-153.6132.800112.2T86 K91 R92T86-E88 VanDerWaalsContact C-N 3.25Å; T86-E88 PolarHBondContact O-N 2.84Å; E88-K91 PolarHBondContact O-N 2.85Å; E88-R92 WeakPolarHBondContact O-CB 3.2Å; E88-R92 PolarHBondContact O-N 2.7Å; E88-R92 IonicContact OE1-CZ 3.72Å; E88-R92 IonicContact OE1-NH1 3.42Å; E88-R92 PolarHBondContact OE1-NH1 3.37Å
89R98.7Very high98.5Very high94 Ų9465 Ų6536%0.35529%0.289SS..Hα-helixtrans-67.6-40.6-176.7-67.2-176.187.4179.69111.4E83 K84 T86 R92 K93E83-R89 VanDerWaalsContact O-CD 3.32Å; E83-R89 WeakPolarHBondContact O-CD 3.05Å; E83-R89 PolarHBondContact O-NH1 3.22Å; K84-R89 WeakPolarHBondContact O-CB 3.09Å; T86-R89 PolarHBondContact O-N 3.23Å; T86-R89 WeakPolarHBondContact OG1-CB 3.46Å; T86-R89 WeakPolarHBondContact OG1-CG 3.43Å; T86-R89 PolarHBondContact OG1-N 3.46Å; R89-R92 PolarHBondContact O-N 3.36Å; R89-K93 VanDerWaalsContact O-CB 3.31Å; R89-K93 WeakPolarHBondContact O-CB 3.12Å; R89-K93 PolarHBondContact O-N 2.53Å
90L98.7Very high98.5Very high2 Ų265.1 Ų65.11%0.0129%0.289CS..Hα-helixtrans-67.3-44.3176.4-67.5175.1000111.6W85 T86 R92 Y94 L146 F175 M177 I282W85-L90 HydrophobicContact CB-CD1 4.35Å; T86-L90 WeakPolarHBondContact O-CB 3.47Å; T86-L90 VanDerWaalsContact O-CG 3.3Å; T86-L90 WeakPolarHBondContact O-CG 3.35Å; T86-L90 PolarHBondContact O-N 3.37Å; L90-R92 VanDerWaalsContact C-N 3.25Å; L90-R92 PolarHBondContact O-N 2.96Å; L90-Y94 HydrophobicContact CD2-CD2 3.71Å; L90-Y94 HydrophobicContact CD2-CE2 3.66Å; L90-Y94 WeakPolarHBondContact O-CB 3.41Å; L90-Y94 PolarHBondContact O-N 3.31Å; L90-L146 HydrophobicContact CD2-CD2 4.27Å; L90-F175 HydrophobicContact CD1-CZ 4.12Å; L90-M177 HydrophobicContact CD1-SD 4.35Å; L90-I282 HydrophobicContact CD1-CD1 3.78Å; L90-I282 HydrophobicContact CD1-CG2 4.46Å
91K98.4Very high98.5Very high47 Ų4763 Ų6320%0.20428%0.275CS..Hα-helixtrans-59-36174.6-171.6-178.9-163.5163.90111.7L87 E88 R95 V118 E122L87-K91 WeakPolarHBondContact O-CB 3.48Å; L87-K91 PolarHBondContact O-N 2.84Å; E88-K91 PolarHBondContact O-N 2.85Å; K91-R95 WeakPolarHBondContact O-CA 3.41Å; K91-R95 WeakPolarHBondContact O-CB 3.33Å; K91-R95 PolarHBondContact O-N 3.25Å; K91-V118 HydrophobicContact CB-CG2 4.23Å; K91-V118 HydrophobicContact CD-CB 4.16Å; K91-V118 HydrophobicContact CD-CG1 3.79Å; K91-V118 HydrophobicContact CG-CB 4.33Å; K91-V118 HydrophobicContact CG-CG1 4.42Å; K91-V118 HydrophobicContact CG-CG2 4.48Å; K91-E122 IonicContact NZ-OE1 3.98Å; K91-E122 PolarHBondContact NZ-OE1 2.83Å; K91-E122 IonicContact NZ-OE2 3.81Å; K91-E122 PolarHBondContact NZ-OE2 2.89Å
92R98.5Very high98.3Very high148 Ų14863.2 Ų63.256%0.55828%0.278SS*.Hα-helixtrans-74.1-58.2175.4-177.2169.862.4-122.15.3112.3E88 R89 L90E88-R92 WeakPolarHBondContact O-CB 3.2Å; E88-R92 PolarHBondContact O-N 2.7Å; E88-R92 IonicContact OE1-CZ 3.72Å; E88-R92 IonicContact OE1-NH1 3.42Å; E88-R92 PolarHBondContact OE1-NH1 3.37Å; R89-R92 PolarHBondContact O-N 3.36Å; L90-R92 VanDerWaalsContact C-N 3.25Å; L90-R92 PolarHBondContact O-N 2.96Å
93K98.6Very high98Very high101 Ų10158.8 Ų58.844%0.43926%0.262SS..Hα-helixtrans-64.9-43.2-174.2-174.7177175.4-171.90112.3R89 D149R89-K93 VanDerWaalsContact O-CB 3.31Å; R89-K93 WeakPolarHBondContact O-CB 3.12Å; R89-K93 PolarHBondContact O-N 2.53Å; K93-D149 IonicContact NZ-OD2 2.74Å
94Y98.7Very high97.7Very high4 Ų454 Ų542%0.01624%0.241CC..THydrogen-bonded Turntrans-107.315.9-175-57.2-69.1000113.6L90 N96 Q97 F99 M114 K142 K145 L146L90-Y94 HydrophobicContact CD2-CD2 3.71Å; L90-Y94 HydrophobicContact CD2-CE2 3.66Å; L90-Y94 WeakPolarHBondContact O-CB 3.41Å; L90-Y94 PolarHBondContact O-N 3.31Å; Y94-N96 PolarHBondContact O-N 2.99Å; Y94-Q97 HydrophobicContact CD1-CG 4.19Å; Y94-Q97 WeakPolarHBondContact O-CB 3.32Å; Y94-Q97 PolarHBondContact O-N 3.22Å; Y94-F99 HydrophobicContact CG-CZ 4.29Å; Y94-M114 WeakPolarHBondContact O-CB 3.38Å; Y94-K142 WeakPolarHBondContact CE1-O 3.4Å; Y94-K145 PolarHBondContact OH-O 3.09Å; Y94-L146 HydrophobicContact CE1-CG 4.47Å; Y94-L146 HydrophobicContact CE2-CD2 3.55Å; Y94-L146 HydrophobicContact CE2-CG 4.04Å; Y94-L146 WeakPolarHBondContact OH-CG 3.41Å; Y94-L146 PolarHBondContact OH-N 2.99Å
95R98.6Very high97.1Very high125 Ų12557 Ų5747%0.47226%0.261SS..THydrogen-bonded Turntrans-33.6-48.9-173.9-171.4174.6177.682.8-4.2115.8K91 K115K91-R95 WeakPolarHBondContact O-CA 3.41Å; K91-R95 WeakPolarHBondContact O-CB 3.33Å; K91-R95 PolarHBondContact O-N 3.25Å; R95-K115 HydrophobicContact CG-CB 4.03Å; R95-K115 HydrophobicContact CG-CD 3.89Å; R95-K115 WeakPolarHBondContact O-CB 3.32Å; R95-K115 WeakPolarHBondContact O-CG 3.1Å; R95-K115 PolarHBondContact O-N 2.96Å
96N98.6Very high96.5Very high77 Ų7763.3 Ų63.341%0.41229%0.294SS..THydrogen-bonded Turntrans-107.51.9-174.5-71-51.5000114.6Y94 K113 K115Y94-N96 PolarHBondContact O-N 2.99Å; N96-K113 HydrophobicContact CB-CD 4.46Å; N96-K113 WeakPolarHBondContact O-CE 3.36Å; N96-K115 PolarHBondContact OD1-NZ 3.11Å
97Q98.8Very high95.9Very high47 Ų4763.4 Ų63.422%0.2230%0.304CS..  trans-76.5140.1173.8-58-47.3-56.700109.9Y94 F99 K113 M114 K142 R143Y94-Q97 HydrophobicContact CD1-CG 4.19Å; Y94-Q97 WeakPolarHBondContact O-CB 3.32Å; Y94-Q97 PolarHBondContact O-N 3.22Å; Q97-F99 HydrophobicContact CB-CE2 3.89Å; Q97-K113 CarbonylContact O-C 3.54Å; Q97-K113 VanDerWaalsContact O-CA 3.24Å; Q97-K113 WeakPolarHBondContact O-CA 3.31Å; Q97-M114 PolarHBondContact O-N 2.9Å; Q97-K142 HydrophobicContact CG-CB 4.17Å; Q97-K142 VanDerWaalsContact NE2-CD 3.25Å; Q97-R143 HydrophobicContact CB-CG 3.93Å; Q97-R143 HydrophobicContact CG-CG 4.12Å
98K98.6Very high95.7Very high120 Ų12068.9 Ų68.952%0.52232%0.322SS..EExtended strand (participates in β ladder)trans-90.3138.3177-67.3-174.7-179.7-176.70109.7K111 L112 K113 R143K98-K111 HydrophobicContact CB-CB 3.89Å; K98-K111 HydrophobicContact CB-CD 4.38Å; K98-K111 HydrophobicContact CD-CB 4.34Å; K98-L112 CarbonylContact C-O 3.14Å; K98-L112 VanDerWaalsContact CA-O 3.26Å; K98-L112 WeakPolarHBondContact CA-O 3.25Å; K98-K113 HydrophobicContact CG-CG 3.97Å; K98-R143 WeakPolarHBondContact O-CD 3.36Å; K98-R143 VanDerWaalsContact O-CZ 3.32Å; K98-R143 PolarHBondContact O-NE 2.94Å; K98-R143 PolarHBondContact O-NH1 2.89Å
99F98.8Very high95.5Very high0 Ų065.4 Ų65.40%031%0.312CS..EExtended strand (participates in β ladder)trans-124.9141.8173.7-69.9-97.6000109.2Y94 Q97 K111 L112 M114 I132 D134 R143 L146 F175Y94-F99 HydrophobicContact CG-CZ 4.29Å; Q97-F99 HydrophobicContact CB-CE2 3.89Å; F99-K111 CarbonylContact O-C 3.13Å; F99-K111 WeakPolarHBondContact O-CA 3.49Å; F99-K111 WeakPolarHBondContact O-CB 3.31Å; F99-L112 PolarHBondContact N-O 2.96Å; F99-L112 PolarHBondContact O-N 2.85Å; F99-M114 HydrophobicContact CD2-CB 4.36Å; F99-M114 HydrophobicContact CD2-CE 3.83Å; F99-M114 HydrophobicContact CE2-CB 4.25Å; F99-M114 HydrophobicContact CE2-CE 3.66Å; F99-M114 HydrophobicContact CG-CE 4.37Å; F99-M114 HydrophobicContact CZ-CE 4.07Å; F99-I132 HydrophobicContact CB-CD1 3.88Å; F99-I132 HydrophobicContact CB-CG1 4.15Å; F99-I132 HydrophobicContact CB-CG2 4.03Å; F99-I132 HydrophobicContact CD1-CG2 4.47Å; F99-I132 HydrophobicContact CG-CD1 4.41Å; F99-D134 WeakPolarHBondContact CA-OD2 3.35Å; F99-D134 HydrophobicContact CB-CB 4.43Å; F99-D134 HydrophobicContact CD1-CB 4Å; F99-R143 HydrophobicContact CE1-CG 4.33Å; F99-R143 HydrophobicContact CE2-CG 4.48Å; F99-R143 HydrophobicContact CZ-CG 3.97Å; F99-L146 HydrophobicContact CE1-CD1 3.86Å; F99-L146 HydrophobicContact CZ-CD1 4.22Å; F99-F175 HydrophobicContact CD1-CD1 4.2Å; F99-F175 HydrophobicContact CE1-CD1 4.18Å
100K98.7Very high95.5Very high7 Ų761.5 Ų61.53%0.0330%0.299CS..EExtended strand (participates in β ladder)trans-61.7130.7174.4-178.5-178.8172.5-173.70109.6E103 V110 I132 F133 D134 D345K100-E103 VanDerWaalsContact CE-CG 3.45Å; K100-E103 WeakPolarHBondContact CE-OE1 3.19Å; K100-E103 IonicContact NZ-OE1 2.67Å; K100-E103 PolarHBondContact NZ-OE1 3.18Å; K100-V110 WeakPolarHBondContact CA-O 3.4Å; K100-I132 WeakPolarHBondContact O-CA 3.47Å; K100-F133 PolarHBondContact O-N 3.05Å; K100-D134 HydrophobicContact CB-CB 4.29Å; K100-D134 PolarHBondContact N-OD2 3.32Å; K100-D345 PolarHBondContact NZ-O 3.13Å
101C97.9Very high95.5Very high4 Ų464.9 Ų64.93%0.02731%0.314CS..EExtended strand (participates in β ladder)trans-136.923.1177.165.80000113.1V110 Y117 Y131 I132C101-V110 PolarHBondContact N-O 2.67Å; C101-Y117 HydrophobicContact CB-CE2 4.4Å; C101-Y131 CarbonylContact C-O 3.53Å; C101-Y131 WeakPolarHBondContact CA-O 3.31Å; C101-I132 HydrophobicContact CB-CG1 4.26Å
102G94.4Very high95.5Very high5 Ų563 Ų635%0.05231%0.306CS..EExtended strand (participates in β ladder)trans158.4179.1-178.400000111.6V110G102-V110 PolarHBondContact O-N 3.05Å
103E92.9Very high95.5Very high21 Ų2159.1 Ų59.110%0.09829%0.293CS..EExtended strand (participates in β ladder)trans-130.7150.2172.3-64.8-172155.500109A16 K100 Y108A16-E103 WeakPolarHBondContact CA-O 3.34Å; K100-E103 VanDerWaalsContact CE-CG 3.45Å; K100-E103 WeakPolarHBondContact CE-OE1 3.19Å; K100-E103 IonicContact NZ-OE1 2.67Å; K100-E103 PolarHBondContact NZ-OE1 3.18Å; E103-Y108 CarbonylContact C-O 3.53Å; E103-Y108 WeakPolarHBondContact CA-O 3.06Å
104D90Very high95.5Very high46 Ų4654.3 Ų54.325%0.24627%0.272CS..  trans-91.7177.1171.565.623.8000112S15 D106 G107 Y108 V110S15-D104 WeakPolarHBondContact O-CA 3.5Å; D104-D106 PolarHBondContact O-N 2.72Å; D104-D106 VanDerWaalsContact O-N 3.08Å; D104-D106 PolarHBondContact OD1-N 3.18Å; D104-D106 VanDerWaalsContact OD1-N 3.15Å; D104-G107 PolarHBondContact O-N 2.66Å; D104-G107 PolarHBondContact OD1-N 3.01Å; D104-Y108 PolarHBondContact N-O 2.71Å; D104-Y108 WeakPolarHBondContact OD1-CB 3.23Å; D104-Y108 PolarHBondContact OD1-N 3.03Å; D104-V110 HydrophobicContact CB-CG2 4.18Å
105N86.8Confident95.5Very high130 Ų13055.6 Ų55.670%0.69528%0.278SS*.THydrogen-bonded Turntrans-58-23.4-177.7-71.8-21.6000114.4P18 G107P18-N105 WeakPolarHBondContact CG-ND2 3.24Å; P18-N105 WeakPolarHBondContact CG-OD1 3.23Å; N105-G107 VanDerWaalsContact C-N 3.34Å
106D86Confident95.5Very high133 Ų13350.4 Ų50.471%0.71126%0.258SS*.THydrogen-bonded Turntrans-95.14.3180-61.5-42.4000111.6D104 Y108D104-D106 PolarHBondContact O-N 2.72Å; D104-D106 VanDerWaalsContact O-N 3.08Å; D104-D106 PolarHBondContact OD1-N 3.18Å; D104-D106 VanDerWaalsContact OD1-N 3.15Å; D106-Y108 HydrophobicContact CB-CD2 3.6Å; D106-Y108 HydrophobicContact CB-CE2 3.59Å
107G86.6Confident95.5Very high46 Ų4646.7 Ų46.747%0.47424%0.239SC..SBendtrans79.712.2-179.400000114.2D104 N105D104-G107 PolarHBondContact O-N 2.66Å; D104-G107 PolarHBondContact OD1-N 3.01Å; N105-G107 VanDerWaalsContact C-N 3.34Å
108Y92.4Very high95.5Very high160 Ų16044.5 Ų44.563%0.62723%0.228SC*.PPolyproline II helixtrans-80.4141.5175.4-61.6-76.2000111.1E103 D104 D106 V110E103-Y108 CarbonylContact C-O 3.53Å; E103-Y108 WeakPolarHBondContact CA-O 3.06Å; D104-Y108 PolarHBondContact N-O 2.71Å; D104-Y108 WeakPolarHBondContact OD1-CB 3.23Å; D104-Y108 PolarHBondContact OD1-N 3.03Å; D106-Y108 HydrophobicContact CB-CD2 3.6Å; D106-Y108 HydrophobicContact CB-CE2 3.59Å; Y108-V110 PolarHBondContact O-N 3.4Å
109S95.8Very high95.5Very high56 Ų5640.5 Ų40.539%0.39221%0.212SC..EExtended strand (participates in β ladder)trans-65.1121.8178.7-55.40000112.3K111S109-K111 VanDerWaalsContact CB-CE 3.46Å
110V98Very high95.5Very high12 Ų1240.8 Ų40.87%0.07321%0.213CC..EExtended strand (participates in β ladder)trans-80.9124.5167.5-178.90000108.5A12 A16 K100 C101 G102 D104 Y108A12-V110 HydrophobicContact CB-CG1 3.97Å; A16-V110 HydrophobicContact CB-CB 4.34Å; A16-V110 HydrophobicContact CB-CG1 4.28Å; A16-V110 HydrophobicContact CB-CG2 4.3Å; K100-V110 WeakPolarHBondContact CA-O 3.4Å; C101-V110 PolarHBondContact N-O 2.67Å; G102-V110 PolarHBondContact O-N 3.05Å; D104-V110 HydrophobicContact CB-CG2 4.18Å; Y108-V110 PolarHBondContact O-N 3.4Å
111K98.4Very high95.4Very high74 Ų7441.1 Ų41.132%0.32222%0.215SC..EExtended strand (participates in β ladder)trans-128.7135-174.3-48.9-171.6178.6-176.80113.4K98 F99 S109K98-K111 HydrophobicContact CB-CB 3.89Å; K98-K111 HydrophobicContact CB-CD 4.38Å; K98-K111 HydrophobicContact CD-CB 4.34Å; F99-K111 CarbonylContact O-C 3.13Å; F99-K111 WeakPolarHBondContact O-CA 3.49Å; F99-K111 WeakPolarHBondContact O-CB 3.31Å; S109-K111 VanDerWaalsContact CB-CE 3.46Å
112L98.1Very high95.4Very high8 Ų846.3 Ų46.34%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-110.9148.2171.7-80.7174.8000111.8R8 A12 K98 F99 Y117 L130R8-L112 HydrophobicContact CB-CD2 4.22Å; A12-L112 HydrophobicContact CB-CD1 3.75Å; A12-L112 HydrophobicContact CB-CD2 3.79Å; A12-L112 HydrophobicContact CB-CG 3.65Å; K98-L112 CarbonylContact C-O 3.14Å; K98-L112 VanDerWaalsContact CA-O 3.26Å; K98-L112 WeakPolarHBondContact CA-O 3.25Å; F99-L112 PolarHBondContact N-O 2.96Å; F99-L112 PolarHBondContact O-N 2.85Å; L112-Y117 HydrophobicContact CD1-CD2 4.37Å; L112-L130 HydrophobicContact CD1-CD1 4.14Å
113K98.8Very high95.6Very high66 Ų6649.2 Ų49.229%0.28726%0.258SS..EExtended strand (participates in β ladder)trans-68.9140.2169.4-71.9-177.2168.7-175.30109.2N96 Q97 K98 K115 Y116 Y117N96-K113 HydrophobicContact CB-CD 4.46Å; N96-K113 WeakPolarHBondContact O-CE 3.36Å; Q97-K113 CarbonylContact O-C 3.54Å; Q97-K113 VanDerWaalsContact O-CA 3.24Å; Q97-K113 WeakPolarHBondContact O-CA 3.31Å; K98-K113 HydrophobicContact CG-CG 3.97Å; K113-K115 HydrophobicContact CB-CG 4.35Å; K113-K115 PolarHBondContact O-N 2.89Å; K113-K115 VanDerWaalsContact O-N 3.08Å; K113-Y116 HydrophobicContact CB-CD2 3.76Å; K113-Y116 HydrophobicContact CB-CE2 4.18Å; K113-Y116 HydrophobicContact CD-CD2 4.49Å; K113-Y116 HydrophobicContact CD-CE2 4.07Å; K113-Y116 HydrophobicContact CG-CD2 4.39Å; K113-Y116 HydrophobicContact CG-CE2 4.43Å; K113-Y116 PolarHBondContact O-N 2.89Å; K113-Y117 PolarHBondContact O-N 2.85Å
114M98.8Very high95.8Very high0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-48.1-43.4-179.3-177.956.174.900112.7Y94 Q97 F99 Y116 Y117 V118 I132 F175 M177Y94-M114 WeakPolarHBondContact O-CB 3.38Å; Q97-M114 PolarHBondContact O-N 2.9Å; F99-M114 HydrophobicContact CD2-CB 4.36Å; F99-M114 HydrophobicContact CD2-CE 3.83Å; F99-M114 HydrophobicContact CE2-CB 4.25Å; F99-M114 HydrophobicContact CE2-CE 3.66Å; F99-M114 HydrophobicContact CG-CE 4.37Å; F99-M114 HydrophobicContact CZ-CE 4.07Å; M114-Y116 VanDerWaalsContact C-N 3.32Å; M114-Y116 PolarHBondContact O-N 2.92Å; M114-Y117 PolarHBondContact O-N 2.94Å; M114-V118 HydrophobicContact CG-CG2 4.31Å; M114-V118 WeakPolarHBondContact O-CG2 3.19Å; M114-V118 PolarHBondContact O-N 3.09Å; M114-V118 HydrophobicContact SD-CG2 3.8Å; M114-I132 HydrophobicContact CE-CD1 4.19Å; M114-F175 HydrophobicContact CE-CE1 4.37Å; M114-M177 HydrophobicContact CE-SD 4.13Å; M114-M177 HydrophobicContact SD-CE 4.46Å; M114-M177 HydrophobicContact SD-SD 4.09Å
115K98.5Very high96.2Very high30 Ų3052.9 Ų52.913%0.1327%0.269CS..Hα-helixtrans-59.3-38.4177.872.9-170.9-176.1-172.50114.4R95 N96 K113 E119R95-K115 HydrophobicContact CG-CB 4.03Å; R95-K115 HydrophobicContact CG-CD 3.89Å; R95-K115 WeakPolarHBondContact O-CB 3.32Å; R95-K115 WeakPolarHBondContact O-CG 3.1Å; R95-K115 PolarHBondContact O-N 2.96Å; N96-K115 PolarHBondContact OD1-NZ 3.11Å; K113-K115 HydrophobicContact CB-CG 4.35Å; K113-K115 PolarHBondContact O-N 2.89Å; K113-K115 VanDerWaalsContact O-N 3.08Å; K115-E119 WeakPolarHBondContact O-CG 3.44Å; K115-E119 PolarHBondContact O-N 2.88Å
116Y98.7Very high96.8Very high16 Ų1647 Ų476%0.06324%0.238CC..Hα-helixtrans-76.5-35.6179.1-60.7-43.8000110.7R8 K113 M114 E119 Y120R8-Y116 HydrophobicContact CB-CD2 4.06Å; R8-Y116 HydrophobicContact CB-CE2 4.31Å; R8-Y116 HydrophobicContact CB-CG 4.46Å; R8-Y116 HydrophobicContact CG-CD2 4.2Å; R8-Y116 HydrophobicContact CG-CE2 3.92Å; K113-Y116 HydrophobicContact CB-CD2 3.76Å; K113-Y116 HydrophobicContact CB-CE2 4.18Å; K113-Y116 HydrophobicContact CD-CD2 4.49Å; K113-Y116 HydrophobicContact CD-CE2 4.07Å; K113-Y116 HydrophobicContact CG-CD2 4.39Å; K113-Y116 HydrophobicContact CG-CE2 4.43Å; K113-Y116 PolarHBondContact O-N 2.89Å; M114-Y116 VanDerWaalsContact C-N 3.32Å; M114-Y116 PolarHBondContact O-N 2.92Å; Y116-E119 PolarHBondContact O-N 2.87Å; Y116-Y120 WeakPolarHBondContact O-CB 3.2Å; Y116-Y120 PolarHBondContact O-N 3.12Å
117Y98.8Very high97.4Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-65.8-42.7175.7-171.3-99.4000112C101 L112 K113 M114 Y120 L121 L130 I132 M177 G178 P179C101-Y117 HydrophobicContact CB-CE2 4.4Å; L112-Y117 HydrophobicContact CD1-CD2 4.37Å; K113-Y117 PolarHBondContact O-N 2.85Å; M114-Y117 PolarHBondContact O-N 2.94Å; Y117-Y120 HydrophobicContact CD2-CD1 4.27Å; Y117-Y120 HydrophobicContact CE2-CD1 4.08Å; Y117-Y120 HydrophobicContact CE2-CE1 4.42Å; Y117-Y120 WeakPolarHBondContact O-CB 3.47Å; Y117-Y120 PolarHBondContact O-N 2.86Å; Y117-L121 HydrophobicContact CE1-CD1 3.98Å; Y117-L121 VanDerWaalsContact O-CB 3.31Å; Y117-L121 WeakPolarHBondContact O-CB 3.49Å; Y117-L121 PolarHBondContact O-N 2.93Å; Y117-L130 HydrophobicContact CE2-CB 4.37Å; Y117-L130 WeakPolarHBondContact CE2-O 3.5Å; Y117-L130 PolarHBondContact OH-O 3.42Å; Y117-I132 HydrophobicContact CD1-CD1 3.21Å; Y117-I132 HydrophobicContact CD1-CG1 3.78Å; Y117-I132 HydrophobicContact CD2-CD1 4.03Å; Y117-I132 HydrophobicContact CD2-CG1 3.86Å; Y117-I132 HydrophobicContact CE1-CB 4.29Å; Y117-I132 HydrophobicContact CE1-CD1 3.55Å; Y117-I132 HydrophobicContact CE1-CG1 3.68Å; Y117-I132 HydrophobicContact CE2-CD1 4.33Å; Y117-I132 HydrophobicContact CE2-CG1 3.81Å; Y117-I132 HydrophobicContact CG-CD1 3.47Å; Y117-I132 VanDerWaalsContact CG-CD1 3.47Å; Y117-I132 HydrophobicContact CG-CG1 3.85Å; Y117-I132 PolarHBondContact OH-N 3.21Å; Y117-M177 HydrophobicContact CD1-CE 4.44Å; Y117-M177 HydrophobicContact CE1-CE 4.49Å; Y117-M177 HydrophobicContact CE1-CG 4.17Å; Y117-M177 PolarHBondContact OH-O 3.26Å; Y117-G178 WeakPolarHBondContact OH-CA 3.43Å; Y117-P179 WeakPolarHBondContact OH-CD 3.4Å
118V98.6Very high97.9Very high0 Ų038.8 Ų38.80%018%0.184CC..Hα-helixtrans-65.4-41.9176177.40000111.3K91 M114 Y120 L121 E122 M177K91-V118 HydrophobicContact CB-CG2 4.23Å; K91-V118 HydrophobicContact CD-CB 4.16Å; K91-V118 HydrophobicContact CD-CG1 3.79Å; K91-V118 HydrophobicContact CG-CB 4.33Å; K91-V118 HydrophobicContact CG-CG1 4.42Å; K91-V118 HydrophobicContact CG-CG2 4.48Å; M114-V118 HydrophobicContact CG-CG2 4.31Å; M114-V118 WeakPolarHBondContact O-CG2 3.19Å; M114-V118 PolarHBondContact O-N 3.09Å; M114-V118 HydrophobicContact SD-CG2 3.8Å; V118-Y120 VanDerWaalsContact C-N 3.29Å; V118-Y120 PolarHBondContact O-N 3.47Å; V118-L121 PolarHBondContact O-N 3.25Å; V118-E122 HydrophobicContact CG1-CG 4.28Å; V118-E122 VanDerWaalsContact CG1-OE1 3.31Å; V118-E122 WeakPolarHBondContact CG1-OE1 3.31Å; V118-E122 WeakPolarHBondContact O-CB 3.37Å; V118-E122 VanDerWaalsContact O-CG 3.24Å; V118-E122 WeakPolarHBondContact O-CG 3.38Å; V118-E122 PolarHBondContact O-N 3.17Å; V118-M177 HydrophobicContact CG2-CE 4.03Å
119E98.3Very high98.2Very high37 Ų3731.5 Ų31.517%0.17316%0.156CC..Hα-helixtrans-60.6-37.2172.8-75.4175.9-144.500112.6M1 S5 K115 Y116 S123M1-E119 HydrophobicContact CG-CB 3.87Å; M1-E119 HydrophobicContact CG-CG 4.38Å; M1-E119 WeakPolarHBondContact CG-OE2 3.34Å; M1-E119 HydrophobicContact SD-CB 4.22Å; S5-E119 WeakPolarHBondContact CB-OE2 3.3Å; S5-E119 PolarHBondContact OG-OE2 2.68Å; K115-E119 WeakPolarHBondContact O-CG 3.44Å; K115-E119 PolarHBondContact O-N 2.88Å; Y116-E119 PolarHBondContact O-N 2.87Å; E119-S123 PolarHBondContact O-OG 3.02Å
120Y98.6Very high98.4Very high6 Ų629.2 Ų29.22%0.02414%0.139CC..Hα-helixtrans-65-51.5173.8166.8-106.6000111.6I9 Y116 Y117 V118 E122 S123 T124 D126 P129 L130I9-Y120 HydrophobicContact CG2-CD2 3.68Å; I9-Y120 HydrophobicContact CG2-CE2 4.23Å; I9-Y120 HydrophobicContact CG2-CG 4.39Å; Y116-Y120 WeakPolarHBondContact O-CB 3.2Å; Y116-Y120 PolarHBondContact O-N 3.12Å; Y117-Y120 HydrophobicContact CD2-CD1 4.27Å; Y117-Y120 HydrophobicContact CE2-CD1 4.08Å; Y117-Y120 HydrophobicContact CE2-CE1 4.42Å; Y117-Y120 WeakPolarHBondContact O-CB 3.47Å; Y117-Y120 PolarHBondContact O-N 2.86Å; V118-Y120 VanDerWaalsContact C-N 3.29Å; V118-Y120 PolarHBondContact O-N 3.47Å; Y120-E122 VanDerWaalsContact C-N 3.28Å; Y120-E122 PolarHBondContact O-N 2.73Å; Y120-S123 PolarHBondContact O-N 2.96Å; Y120-S123 PolarHBondContact O-OG 2.88Å; Y120-T124 HydrophobicContact CE1-CG2 4.32Å; Y120-T124 HydrophobicContact CE2-CG2 4.36Å; Y120-T124 VanDerWaalsContact CE2-OG1 3.31Å; Y120-T124 WeakPolarHBondContact CE2-OG1 3.25Å; Y120-T124 VanDerWaalsContact O-CB 3.32Å; Y120-T124 WeakPolarHBondContact O-CB 3.31Å; Y120-T124 PolarHBondContact O-N 2.93Å; Y120-T124 PolarHBondContact OH-OG1 3Å; Y120-D126 VanDerWaalsContact CE2-OD2 3.3Å; Y120-D126 WeakPolarHBondContact CE2-OD2 3.11Å; Y120-D126 PolarHBondContact OH-OD2 2.97Å; Y120-P129 HydrophobicContact CE1-CB 4.18Å; Y120-P129 WeakPolarHBondContact OH-CA 3.33Å; Y120-P129 VanDerWaalsContact OH-CB 3.28Å; Y120-P129 WeakPolarHBondContact OH-CB 3.24Å; Y120-L130 HydrophobicContact CD1-CB 4.43Å; Y120-L130 HydrophobicContact CE1-CB 3.65Å; Y120-L130 HydrophobicContact CE1-CD1 4.48Å; Y120-L130 HydrophobicContact CE1-CG 4.29Å; Y120-L130 PolarHBondContact OH-N 2.94Å
121L97.9Very high98.4Very high14 Ų1429.9 Ų29.97%0.07314%0.141CC..Hα-helixtrans-54.9-43.2179.4-176.1159.4000111.6L87 Y117 V118 S123 M177 P179 T280L87-L121 HydrophobicContact CD1-CD2 4.19Å; L87-L121 HydrophobicContact CD2-CD1 4.32Å; Y117-L121 HydrophobicContact CE1-CD1 3.98Å; Y117-L121 VanDerWaalsContact O-CB 3.31Å; Y117-L121 WeakPolarHBondContact O-CB 3.49Å; Y117-L121 PolarHBondContact O-N 2.93Å; V118-L121 PolarHBondContact O-N 3.25Å; L121-S123 PolarHBondContact O-N 3.46Å; L121-M177 HydrophobicContact CD1-CE 3.78Å; L121-P179 HydrophobicContact CG-CB 3.96Å; L121-T280 HydrophobicContact CD1-CG2 4.17Å; L121-T280 HydrophobicContact CD2-CG2 4.09Å
122E97.4Very high98.4Very high112 Ų11226.4 Ų26.452%0.52313%0.125SC..THydrogen-bonded Turntrans-68.9-13.3179.4-71.4164.7170.500114K91 V118 Y120K91-E122 IonicContact NZ-OE1 3.98Å; K91-E122 PolarHBondContact NZ-OE1 2.83Å; K91-E122 IonicContact NZ-OE2 3.81Å; K91-E122 PolarHBondContact NZ-OE2 2.89Å; V118-E122 HydrophobicContact CG1-CG 4.28Å; V118-E122 VanDerWaalsContact CG1-OE1 3.31Å; V118-E122 WeakPolarHBondContact CG1-OE1 3.31Å; V118-E122 WeakPolarHBondContact O-CB 3.37Å; V118-E122 VanDerWaalsContact O-CG 3.24Å; V118-E122 WeakPolarHBondContact O-CG 3.38Å; V118-E122 PolarHBondContact O-N 3.17Å; Y120-E122 VanDerWaalsContact C-N 3.28Å; Y120-E122 PolarHBondContact O-N 2.73Å
123S97.3Very high98.4Very high67 Ų6727.1 Ų27.147%0.46913%0.128SC..THydrogen-bonded Turntrans-131.2-9.1-168.865.20000115.5M1 E119 Y120 L121M1-S123 PolarHBondContact SD-OG 3.09Å; E119-S123 PolarHBondContact O-OG 3.02Å; Y120-S123 PolarHBondContact O-N 2.96Å; Y120-S123 PolarHBondContact O-OG 2.88Å; L121-S123 PolarHBondContact O-N 3.46Å
124T98.3Very high98.4Very high16 Ų1624 Ų2410%0.09812%0.115CC..  trans-74.3141.1-170.9-171.80000112.9Y120 D126 P129 P179Y120-T124 HydrophobicContact CE1-CG2 4.32Å; Y120-T124 HydrophobicContact CE2-CG2 4.36Å; Y120-T124 VanDerWaalsContact CE2-OG1 3.31Å; Y120-T124 WeakPolarHBondContact CE2-OG1 3.25Å; Y120-T124 VanDerWaalsContact O-CB 3.32Å; Y120-T124 WeakPolarHBondContact O-CB 3.31Å; Y120-T124 PolarHBondContact O-N 2.93Å; Y120-T124 PolarHBondContact OH-OG1 3Å; T124-D126 PolarHBondContact OG1-N 3.47Å; T124-D126 PolarHBondContact OG1-OD2 2.89Å; T124-D126 VanDerWaalsContact OG1-OD2 3.07Å; T124-P129 HydrophobicContact CG2-CB 4.16Å; T124-P129 HydrophobicContact CG2-CG 4.22Å; T124-P179 HydrophobicContact CG2-CB 4.2Å; T124-P179 HydrophobicContact CG2-CG 4.12Å
125R98.3Very high98.4Very high127 Ų12725 Ų2548%0.47912%0.122SC..  trans-118.614.7170.2-60.6-167.3175.8-168.5-1.5112.3M27 Y32 E33M27-R125 HydrophobicContact SD-CB 4.09Å; Y32-R125 HydrophobicContact CD1-CB 4.32Å; Y32-R125 HydrophobicContact CD1-CG 3.97Å; Y32-R125 HydrophobicContact CD2-CB 3.9Å; Y32-R125 HydrophobicContact CD2-CG 3.73Å; Y32-R125 HydrophobicContact CE1-CG 4.09Å; Y32-R125 HydrophobicContact CE2-CB 4.48Å; Y32-R125 HydrophobicContact CE2-CG 3.81Å; Y32-R125 HydrophobicContact CG-CB 3.81Å; Y32-R125 HydrophobicContact CG-CG 3.82Å; E33-R125 IonicContact OE1-NH1 3.92Å
126D98.6Very high98.4Very high7 Ų724.8 Ų24.84%0.03712%0.124CC..  trans-61.5145.8-179.3-59.4-23.5000110.9K13 W26 Y120 T124 P129 R181K13-D126 WeakPolarHBondContact CE-OD2 3.28Å; K13-D126 IonicContact NZ-OD1 2.68Å; K13-D126 PolarHBondContact NZ-OD1 3.12Å; K13-D126 IonicContact NZ-OD2 2.72Å; K13-D126 PolarHBondContact NZ-OD2 3.03Å; W26-D126 HydrophobicContact CE3-CB 4Å; W26-D126 CarbonylContact O-C 3.45Å; W26-D126 VanDerWaalsContact O-CA 3.29Å; W26-D126 WeakPolarHBondContact O-CA 3.49Å; Y120-D126 VanDerWaalsContact CE2-OD2 3.3Å; Y120-D126 WeakPolarHBondContact CE2-OD2 3.11Å; Y120-D126 PolarHBondContact OH-OD2 2.97Å; T124-D126 PolarHBondContact OG1-N 3.47Å; T124-D126 PolarHBondContact OG1-OD2 2.89Å; T124-D126 VanDerWaalsContact OG1-OD2 3.07Å; D126-P129 HydrophobicContact CB-CB 4.41Å; D126-P129 HydrophobicContact CB-CG 4.23Å; D126-R181 PolarHBondContact O-NE 3.15Å; D126-R181 PolarHBondContact O-NH2 2.93Å
127D98.5Very high98.3Very high1 Ų124 Ų241%0.00512%0.121CC..SBendtrans-62-54.1177.5-73.8-29.5000110.7W26 M27 K28 H29 G30 Y31 R181W26-D127 PolarHBondContact O-N 2.85Å; M27-D127 WeakPolarHBondContact CA-OD2 3.24Å; K28-D127 PolarHBondContact N-OD2 3.08Å; H29-D127 WeakPolarHBondContact CB-OD2 3.32Å; H29-D127 IonicContact CD2-OD2 3.52Å; H29-D127 IonicContact CG-OD2 2.94Å; H29-D127 PolarHBondContact N-OD2 3.23Å; G30-D127 PolarHBondContact N-OD1 2.74Å; G30-D127 VanDerWaalsContact N-OD1 3.11Å; Y31-D127 HydrophobicContact CD2-CB 3.7Å; Y31-D127 HydrophobicContact CE2-CB 4.41Å; Y31-D127 HydrophobicContact CG-CB 4.46Å; Y31-D127 PolarHBondContact N-OD1 2.75Å; D127-R181 VanDerWaalsContact O-CB 3.31Å; D127-R181 WeakPolarHBondContact O-CB 3.36Å
128S98.6Very high98.2Very high6 Ų624.1 Ų24.14%0.04212%0.122CC..SBendtrans-118.298.9166.3-170.40000109.8E231S128-E231 VanDerWaalsContact CB-OE2 3.31Å; S128-E231 WeakPolarHBondContact CB-OE2 3.49Å; S128-E231 PolarHBondContact OG-OE2 3.2Å
129P98.7Very high98.1Very high6 Ų628.2 Ų28.24%0.03914%0.141CC..  trans-67.9155.4-177.5-23.434.7000114.2Y120 T124 D126 Y131 P179Y120-P129 HydrophobicContact CE1-CB 4.18Å; Y120-P129 WeakPolarHBondContact OH-CA 3.33Å; Y120-P129 VanDerWaalsContact OH-CB 3.28Å; Y120-P129 WeakPolarHBondContact OH-CB 3.24Å; T124-P129 HydrophobicContact CG2-CB 4.16Å; T124-P129 HydrophobicContact CG2-CG 4.22Å; D126-P129 HydrophobicContact CB-CB 4.41Å; D126-P129 HydrophobicContact CB-CG 4.23Å; P129-Y131 PolarHBondContact O-N 3.22Å; P129-P179 HydrophobicContact CB-CG 3.38Å; P129-P179 HydrophobicContact CG-CG 3.76Å
130L98.6Very high98Very high8 Ų830.8 Ų30.84%0.04215%0.153CC..  trans-53.2136.2168.5-65.6175.6000110.8A12 K13 A16 W26 L112 Y117 Y120A12-L130 HydrophobicContact CB-CD1 4.21Å; K13-L130 HydrophobicContact CG-CD1 3.93Å; K13-L130 HydrophobicContact CG-CG 4.34Å; A16-L130 HydrophobicContact CB-CD2 3.87Å; W26-L130 HydrophobicContact CH2-CD2 3.76Å; W26-L130 HydrophobicContact CH2-CG 4.17Å; W26-L130 HydrophobicContact CZ3-CD2 4.21Å; W26-L130 HydrophobicContact CZ3-CG 4.22Å; L112-L130 HydrophobicContact CD1-CD1 4.14Å; Y117-L130 HydrophobicContact CE2-CB 4.37Å; Y117-L130 WeakPolarHBondContact CE2-O 3.5Å; Y117-L130 PolarHBondContact OH-O 3.42Å; Y120-L130 HydrophobicContact CD1-CB 4.43Å; Y120-L130 HydrophobicContact CE1-CB 3.65Å; Y120-L130 HydrophobicContact CE1-CD1 4.48Å; Y120-L130 HydrophobicContact CE1-CG 4.29Å; Y120-L130 PolarHBondContact OH-N 2.94Å
131Y98.7Very high97.9Very high27 Ų2734.7 Ų34.711%0.10619%0.187CC..  trans-123.5122.2-171.3-169.8-159000111.3C101 P129 F133 V176 M177 K204 N277C101-Y131 CarbonylContact C-O 3.53Å; C101-Y131 WeakPolarHBondContact CA-O 3.31Å; P129-Y131 PolarHBondContact O-N 3.22Å; Y131-F133 HydrophobicContact CD1-CD2 4.42Å; Y131-F133 HydrophobicContact CE1-CD2 4.17Å; Y131-F133 PolarHBondContact O-N 2.53Å; Y131-V176 HydrophobicContact CD2-CG1 4.49Å; Y131-V176 HydrophobicContact CE1-CG1 3.86Å; Y131-V176 HydrophobicContact CE2-CG1 3.51Å; Y131-V176 WeakPolarHBondContact OH-CG1 3.49Å; Y131-M177 VanDerWaalsContact CD2-O 3.23Å; Y131-M177 WeakPolarHBondContact CD2-O 3.13Å; Y131-K204 PolarHBondContact OH-NZ 3.11Å; Y131-N277 VanDerWaalsContact CE2-ND2 3.29Å; Y131-N277 WeakPolarHBondContact CE2-ND2 3.33Å; Y131-N277 PolarHBondContact OH-ND2 3.48Å; Y131-N277 PolarHBondContact OH-OD1 3.07Å
132I98.9Very high97.8Very high0 Ų040.7 Ų40.70%021%0.212CC..EExtended strand (participates in β ladder)trans-68.8122.9172.4-75.8175.5000108.7F99 K100 C101 M114 Y117 D134 F175 V176 M177F99-I132 HydrophobicContact CB-CD1 3.88Å; F99-I132 HydrophobicContact CB-CG1 4.15Å; F99-I132 HydrophobicContact CB-CG2 4.03Å; F99-I132 HydrophobicContact CD1-CG2 4.47Å; F99-I132 HydrophobicContact CG-CD1 4.41Å; K100-I132 WeakPolarHBondContact O-CA 3.47Å; C101-I132 HydrophobicContact CB-CG1 4.26Å; M114-I132 HydrophobicContact CE-CD1 4.19Å; Y117-I132 HydrophobicContact CD1-CD1 3.21Å; Y117-I132 HydrophobicContact CD1-CG1 3.78Å; Y117-I132 HydrophobicContact CD2-CD1 4.03Å; Y117-I132 HydrophobicContact CD2-CG1 3.86Å; Y117-I132 HydrophobicContact CE1-CB 4.29Å; Y117-I132 HydrophobicContact CE1-CD1 3.55Å; Y117-I132 HydrophobicContact CE1-CG1 3.68Å; Y117-I132 HydrophobicContact CE2-CD1 4.33Å; Y117-I132 HydrophobicContact CE2-CG1 3.81Å; Y117-I132 HydrophobicContact CG-CD1 3.47Å; Y117-I132 VanDerWaalsContact CG-CD1 3.47Å; Y117-I132 HydrophobicContact CG-CG1 3.85Å; Y117-I132 PolarHBondContact OH-N 3.21Å; I132-D134 HydrophobicContact CG2-CB 4.48Å; I132-F175 HydrophobicContact CG2-CD1 3.93Å; I132-F175 HydrophobicContact CG2-CE1 4.19Å; I132-V176 WeakPolarHBondContact O-CA 3.35Å; I132-M177 HydrophobicContact CB-CB 4.17Å; I132-M177 WeakPolarHBondContact CB-O 3.45Å; I132-M177 HydrophobicContact CG2-CB 4.41Å; I132-M177 PolarHBondContact N-O 3.33Å; I132-M177 PolarHBondContact O-N 3.43Å
133F98.4Very high97.9Very high23 Ų2335.7 Ų35.710%0.10119%0.188CC..EExtended strand (participates in β ladder)trans-142.375.9177.1-152.4-90.5000108.4K100 Y131 W174 V176 T285 S347K100-F133 PolarHBondContact O-N 3.05Å; Y131-F133 HydrophobicContact CD1-CD2 4.42Å; Y131-F133 HydrophobicContact CE1-CD2 4.17Å; Y131-F133 PolarHBondContact O-N 2.53Å; F133-W174 HydrophobicContact CD1-CB 4.2Å; F133-W174 AromaticContact CD1-CD1 3.16Å; F133-W174 AromaticContact CD1-CG 3.74Å; F133-W174 HydrophobicContact CD1-CG 3.74Å; F133-W174 AromaticContact CD1-NE1 3.65Å; F133-W174 HydrophobicContact CE1-CB 3.96Å; F133-W174 AromaticContact CE1-CD1 3.15Å; F133-W174 AromaticContact CE1-CD2 3.76Å; F133-W174 HydrophobicContact CE1-CD2 3.76Å; F133-W174 AromaticContact CE1-CE2 3.82Å; F133-W174 AromaticContact CE1-CG 3.36Å; F133-W174 HydrophobicContact CE1-CG 3.36Å; F133-W174 AromaticContact CE1-NE1 3.4Å; F133-W174 HydrophobicContact CZ-CB 4.21Å; F133-W174 HydrophobicContact CZ-CD2 4.31Å; F133-W174 AromaticContact CZ-CG 3.99Å; F133-W174 HydrophobicContact CZ-CG 3.99Å; F133-V176 HydrophobicContact CD2-CB 4.46Å; F133-V176 HydrophobicContact CD2-CG1 3.87Å; F133-V176 HydrophobicContact CD2-CG2 3.8Å; F133-V176 HydrophobicContact CE2-CG1 4.18Å; F133-V176 HydrophobicContact CE2-CG2 3.75Å; F133-V176 HydrophobicContact CZ-CG2 4.45Å; F133-T285 HydrophobicContact CZ-CG2 4.47Å; F133-S347 WeakPolarHBondContact CE1-OG 3.3Å
134D98.7Very high97.9Very high0 Ų038.7 Ų38.70%019%0.189CC..EExtended strand (participates in β ladder)trans-103.5120.2-170.4-164-80.8000111.6F99 K100 I132 S136 Y137 R143 W174 F175F99-D134 WeakPolarHBondContact CA-OD2 3.35Å; F99-D134 HydrophobicContact CB-CB 4.43Å; F99-D134 HydrophobicContact CD1-CB 4Å; K100-D134 HydrophobicContact CB-CB 4.29Å; K100-D134 PolarHBondContact N-OD2 3.32Å; I132-D134 HydrophobicContact CG2-CB 4.48Å; D134-S136 PolarHBondContact OD1-N 3.22Å; D134-S136 PolarHBondContact OD1-OG 3.33Å; D134-Y137 WeakPolarHBondContact O-CD1 3.47Å; D134-Y137 PolarHBondContact OD1-N 3.45Å; D134-Y137 VanDerWaalsContact OD1-N 3.09Å; D134-R143 IonicContact OD1-CZ 3.61Å; D134-R143 IonicContact OD1-NH1 3.36Å; D134-R143 PolarHBondContact OD1-NH1 3.08Å; D134-R143 IonicContact OD2-CZ 3.37Å; D134-R143 IonicContact OD2-NH1 3.61Å; D134-R143 PolarHBondContact OD2-NH1 3.38Å; D134-W174 WeakPolarHBondContact O-CA 3.38Å; D134-F175 PolarHBondContact N-O 3.29Å; D134-F175 PolarHBondContact O-N 2.98Å
135S97.9Very high97.9Very high22 Ų2243.5 Ų43.515%0.15421%0.209CC..SBendtrans-93.5-18.9176.351.20000115.3Y137 R173S135-Y137 PolarHBondContact O-N 3.2Å; S135-R173 WeakPolarHBondContact CA-O 3.24Å; S135-R173 WeakPolarHBondContact CB-O 3.43Å
136S97.8Very high97.9Very high26 Ų2637.5 Ų37.518%0.18219%0.186CC..  trans-87.9-0.2-170.165.70000114.1D134 G138 E139 H140 R143D134-S136 PolarHBondContact OD1-N 3.22Å; D134-S136 PolarHBondContact OD1-OG 3.33Å; S136-G138 PolarHBondContact O-N 3.29Å; S136-E139 VanDerWaalsContact CA-OE2 3.25Å; S136-E139 WeakPolarHBondContact CA-OE2 3.4Å; S136-E139 PolarHBondContact O-N 3.36Å; S136-E139 VanDerWaalsContact O-OE2 3.09Å; S136-H140 PolarHBondContact O-CD2 2.8Å; S136-H140 VanDerWaalsContact O-CD2 3.25Å; S136-R143 PolarHBondContact OG-NH1 2.86Å; S136-R143 PolarHBondContact OG-NH2 3.02Å
137Y98.1Very high97.9Very high0 Ų039.3 Ų39.30%020%0.196CC..G310 helixtrans-61.3-33-168.363.9-84.2000112.6D134 S135 E139 R143 R144 L146 L147 Y150 R173 F175D134-Y137 WeakPolarHBondContact O-CD1 3.47Å; D134-Y137 PolarHBondContact OD1-N 3.45Å; D134-Y137 VanDerWaalsContact OD1-N 3.09Å; S135-Y137 PolarHBondContact O-N 3.2Å; Y137-E139 VanDerWaalsContact C-N 3.27Å; Y137-E139 PolarHBondContact O-N 3.13Å; Y137-R143 CarbonylContact O-C 3.57Å; Y137-R143 WeakPolarHBondContact O-CB 2.95Å; Y137-R144 VanDerWaalsContact O-CA 3.27Å; Y137-R144 WeakPolarHBondContact O-CA 3.31Å; Y137-R144 PolarHBondContact O-N 3.2Å; Y137-L146 HydrophobicContact CD2-CB 3.88Å; Y137-L146 HydrophobicContact CD2-CD1 4.16Å; Y137-L146 HydrophobicContact CE2-CB 4.24Å; Y137-L146 HydrophobicContact CG-CD1 4.34Å; Y137-L147 HydrophobicContact CD2-CD2 4.37Å; Y137-L147 HydrophobicContact CE2-CD2 3.55Å; Y137-L147 HydrophobicContact CE2-CG 4.11Å; Y137-Y150 HydrophobicContact CE2-CE1 4.31Å; Y137-Y150 PolarHBondContact OH-OH 2.87Å; Y137-R173 HydrophobicContact CE1-CG 4.09Å; Y137-F175 HydrophobicContact CD1-CB 3.91Å; Y137-F175 HydrophobicContact CE1-CB 4Å; Y137-F175 VanDerWaalsContact CE1-N 3.35Å; Y137-F175 HydrophobicContact CG-CB 4.32Å
138G97.1Very high97.9Very high1 Ų144.4 Ų44.41%0.0122%0.223CC..G310 helixtrans-68.1-22.8176.900000114S136 R144S136-G138 PolarHBondContact O-N 3.29Å; G138-R144 PolarHBondContact O-NE 3.36Å; G138-R144 PolarHBondContact O-NH2 3.22Å; G138-R144 VanDerWaalsContact O-NH2 3.16Å
139E96Very high97.9Very high87 Ų8744.2 Ų44.241%0.40722%0.221SC..G310 helixtrans-94.7-5.8-174-64.464.5-127.100112.1S136 Y137 R173S136-E139 VanDerWaalsContact CA-OE2 3.25Å; S136-E139 WeakPolarHBondContact CA-OE2 3.4Å; S136-E139 PolarHBondContact O-N 3.36Å; S136-E139 VanDerWaalsContact O-OE2 3.09Å; Y137-E139 VanDerWaalsContact C-N 3.27Å; Y137-E139 PolarHBondContact O-N 3.13Å; E139-R173 IonicContact OE1-CZ 2.72Å; E139-R173 IonicContact OE1-NE 2.75Å; E139-R173 IonicContact OE1-NH2 3.47Å; E139-R173 PolarHBondContact OE1-NH2 2.97Å
140H95.9Very high97.9Very high90 Ų9044.9 Ų44.942%0.41722%0.224SC..SBendtrans-112.3125-178.6-75.8-90.8000112.9S136 K142 R143 R144S136-H140 PolarHBondContact O-CD2 2.8Å; S136-H140 VanDerWaalsContact O-CD2 3.25Å; H140-K142 VanDerWaalsContact C-N 3.31Å; H140-K142 PolarHBondContact O-N 3.3Å; H140-R143 HydrophobicContact CB-CB 4.35Å; H140-R143 PolarHBondContact CD2-NH2 2.78Å; H140-R143 PolarHBondContact NE2-NH2 3.43Å; H140-R143 VanDerWaalsContact NE2-NH2 3.16Å; H140-R143 PolarHBondContact O-N 3.26Å; H140-R144 WeakPolarHBondContact O-CB 3.42Å; H140-R144 PolarHBondContact O-N 3.01Å
141A95.4Very high97.9Very high89 Ų8948.7 Ų48.774%0.73624%0.241SC*.THydrogen-bonded Turntrans-43-45.9-171.300000116.1
142K97.1Very high97.9Very high139 Ų13949.3 Ų49.360%0.60425%0.247SC*.THydrogen-bonded Turntrans-83-33.6-178.8-69.9-176.2178-178.30113.6Y94 Q97 H140Y94-K142 WeakPolarHBondContact CE1-O 3.4Å; Q97-K142 HydrophobicContact CG-CB 4.17Å; Q97-K142 VanDerWaalsContact NE2-CD 3.25Å; H140-K142 VanDerWaalsContact C-N 3.31Å; H140-K142 PolarHBondContact O-N 3.3Å
143R98.1Very high97.8Very high7 Ų749.7 Ų49.73%0.02625%0.25CC..THydrogen-bonded Turntrans-82.4-23.1-178-65.4-172.3-71.5158.64.7112.3Q97 K98 F99 D134 S136 Y137 H140 K145 L146Q97-R143 HydrophobicContact CB-CG 3.93Å; Q97-R143 HydrophobicContact CG-CG 4.12Å; K98-R143 WeakPolarHBondContact O-CD 3.36Å; K98-R143 VanDerWaalsContact O-CZ 3.32Å; K98-R143 PolarHBondContact O-NE 2.94Å; K98-R143 PolarHBondContact O-NH1 2.89Å; F99-R143 HydrophobicContact CE1-CG 4.33Å; F99-R143 HydrophobicContact CE2-CG 4.48Å; F99-R143 HydrophobicContact CZ-CG 3.97Å; D134-R143 IonicContact OD1-CZ 3.61Å; D134-R143 IonicContact OD1-NH1 3.36Å; D134-R143 PolarHBondContact OD1-NH1 3.08Å; D134-R143 IonicContact OD2-CZ 3.37Å; D134-R143 IonicContact OD2-NH1 3.61Å; D134-R143 PolarHBondContact OD2-NH1 3.38Å; S136-R143 PolarHBondContact OG-NH1 2.86Å; S136-R143 PolarHBondContact OG-NH2 3.02Å; Y137-R143 CarbonylContact O-C 3.57Å; Y137-R143 WeakPolarHBondContact O-CB 2.95Å; H140-R143 HydrophobicContact CB-CB 4.35Å; H140-R143 PolarHBondContact CD2-NH2 2.78Å; H140-R143 PolarHBondContact NE2-NH2 3.43Å; H140-R143 VanDerWaalsContact NE2-NH2 3.16Å; H140-R143 PolarHBondContact O-N 3.26Å; R143-K145 PolarHBondContact O-N 2.8Å; R143-L146 WeakPolarHBondContact O-CB 3.27Å; R143-L146 PolarHBondContact O-N 3.23Å
144R98.1Very high97.7Very high130 Ų13053.3 Ų53.349%0.49127%0.27SS..G310 helixtrans-54.2-28.5176.6-176.9179.4-67.5-174.5-5.2112.9Y137 G138 H140 L146 L147Y137-R144 VanDerWaalsContact O-CA 3.27Å; Y137-R144 WeakPolarHBondContact O-CA 3.31Å; Y137-R144 PolarHBondContact O-N 3.2Å; G138-R144 PolarHBondContact O-NE 3.36Å; G138-R144 PolarHBondContact O-NH2 3.22Å; G138-R144 VanDerWaalsContact O-NH2 3.16Å; H140-R144 WeakPolarHBondContact O-CB 3.42Å; H140-R144 PolarHBondContact O-N 3.01Å; R144-L146 PolarHBondContact O-N 3.45Å; R144-L147 HydrophobicContact CG-CD1 3.95Å; R144-L147 VanDerWaalsContact O-CB 3.28Å; R144-L147 WeakPolarHBondContact O-CB 2.94Å; R144-L147 WeakPolarHBondContact O-CG 3.48Å; R144-L147 PolarHBondContact O-N 2.82Å
145K98.4Very high97.7Very high117 Ų11754.5 Ų54.551%0.50928%0.275SS..G310 helixtrans-59.7-8.3175.1-65.3-167.5174.5-166.70115.2Y94 R143 L147 D148Y94-K145 PolarHBondContact OH-O 3.09Å; R143-K145 PolarHBondContact O-N 2.8Å; K145-L147 VanDerWaalsContact C-N 3.33Å; K145-D148 WeakPolarHBondContact CA-OD2 3.32Å
146L98.6Very high97.7Very high1 Ų153.6 Ų53.61%0.00527%0.268CS..G310 helixtrans-73-26.4167.9-71.4169.3000112.1W85 L90 Y94 F99 Y137 R143 R144 D148 D149 Y150 F175W85-L146 HydrophobicContact CZ2-CD2 4.16Å; L90-L146 HydrophobicContact CD2-CD2 4.27Å; Y94-L146 HydrophobicContact CE1-CG 4.47Å; Y94-L146 HydrophobicContact CE2-CD2 3.55Å; Y94-L146 HydrophobicContact CE2-CG 4.04Å; Y94-L146 WeakPolarHBondContact OH-CG 3.41Å; Y94-L146 PolarHBondContact OH-N 2.99Å; F99-L146 HydrophobicContact CE1-CD1 3.86Å; F99-L146 HydrophobicContact CZ-CD1 4.22Å; Y137-L146 HydrophobicContact CD2-CB 3.88Å; Y137-L146 HydrophobicContact CD2-CD1 4.16Å; Y137-L146 HydrophobicContact CE2-CB 4.24Å; Y137-L146 HydrophobicContact CG-CD1 4.34Å; R143-L146 WeakPolarHBondContact O-CB 3.27Å; R143-L146 PolarHBondContact O-N 3.23Å; R144-L146 PolarHBondContact O-N 3.45Å; L146-D148 PolarHBondContact O-N 2.83Å; L146-D149 PolarHBondContact O-N 2.87Å; L146-Y150 WeakPolarHBondContact O-CD1 3.42Å; L146-F175 HydrophobicContact CD1-CB 4.39Å; L146-F175 HydrophobicContact CD1-CD2 4.05Å; L146-F175 HydrophobicContact CD1-CG 4.04Å; L146-F175 HydrophobicContact CD2-CD2 4.39Å; L146-F175 HydrophobicContact CD2-CE2 4.28Å
147L98.6Very high97.7Very high46 Ų4658.3 Ų58.324%0.24128%0.282CS..G310 helixtrans-67.9-22.6174.6-63.1176.9000112.3Y137 R144 K145 D149 Y150Y137-L147 HydrophobicContact CD2-CD2 4.37Å; Y137-L147 HydrophobicContact CE2-CD2 3.55Å; Y137-L147 HydrophobicContact CE2-CG 4.11Å; R144-L147 HydrophobicContact CG-CD1 3.95Å; R144-L147 VanDerWaalsContact O-CB 3.28Å; R144-L147 WeakPolarHBondContact O-CB 2.94Å; R144-L147 WeakPolarHBondContact O-CG 3.48Å; R144-L147 PolarHBondContact O-N 2.82Å; K145-L147 VanDerWaalsContact C-N 3.33Å; L147-D149 PolarHBondContact O-N 3.42Å; L147-Y150 HydrophobicContact CD2-CE1 4.03Å; L147-Y150 WeakPolarHBondContact CD2-OH 3.44Å; L147-Y150 VanDerWaalsContact O-O 3.09Å
148D98.5Very high97.4Very high108 Ų10861.4 Ų61.458%0.57830%0.299SS*.G310 helixtrans-78.3-4.7176.1-48.7-30.7000112.3K145 L146K145-D148 WeakPolarHBondContact CA-OD2 3.32Å; L146-D148 PolarHBondContact O-N 2.83Å
149D98.8Very high97.4Very high1 Ų162.4 Ų62.41%0.00530%0.304CS..G310 helixtrans-104.4-4.8-173.4-60.7-30000112.6P80 A81 K84 W85 K93 L146 L147P80-D149 WeakPolarHBondContact CD-O 3.33Å; A81-D149 HydrophobicContact CB-CB 4.23Å; A81-D149 WeakPolarHBondContact CB-O 3.5Å; A81-D149 PolarHBondContact N-O 2.87Å; K84-D149 WeakPolarHBondContact CD-OD1 3.19Å; K84-D149 WeakPolarHBondContact CE-OD1 3.26Å; K84-D149 IonicContact NZ-OD1 3.09Å; K84-D149 PolarHBondContact NZ-OD1 2.97Å; W85-D149 HydrophobicContact CZ2-CB 4.03Å; W85-D149 VanDerWaalsContact NE1-CB 3.34Å; W85-D149 PolarHBondContact NE1-OD2 2.83Å; K93-D149 IonicContact NZ-OD2 2.74Å; L146-D149 PolarHBondContact O-N 2.87Å; L147-D149 PolarHBondContact O-N 3.42Å
150Y98.8Very high97.5Very high21 Ų2158.3 Ų58.38%0.08229%0.285CS..  trans-152.3164.2176.677.1-87000111.9W79 W85 Y137 L146 L147 W196 V284 Q286W79-Y150 VanDerWaalsContact CD2-CB 3.48Å; W79-Y150 VanDerWaalsContact CE3-CB 3.43Å; W79-Y150 HydrophobicContact CH2-CD2 4.09Å; W79-Y150 HydrophobicContact CH2-CG 4.33Å; W79-Y150 HydrophobicContact CZ2-CD2 4.22Å; W79-Y150 HydrophobicContact CZ3-CG 4.33Å; W85-Y150 AromaticContact CH2-CD1 3.91Å; W85-Y150 HydrophobicContact CH2-CD1 3.91Å; W85-Y150 HydrophobicContact CZ2-CD1 4.01Å; Y137-Y150 HydrophobicContact CE2-CE1 4.31Å; Y137-Y150 PolarHBondContact OH-OH 2.87Å; L146-Y150 WeakPolarHBondContact O-CD1 3.42Å; L147-Y150 HydrophobicContact CD2-CE1 4.03Å; L147-Y150 WeakPolarHBondContact CD2-OH 3.44Å; L147-Y150 VanDerWaalsContact O-O 3.09Å; Y150-W196 HydrophobicContact CD2-CH2 4.39Å; Y150-W196 HydrophobicContact CE2-CH2 4.12Å; Y150-V284 HydrophobicContact CD1-CG1 4.48Å; Y150-V284 HydrophobicContact CD2-CG1 4.2Å; Y150-V284 HydrophobicContact CE1-CG2 4Å; Y150-V284 HydrophobicContact CE2-CG1 4.45Å; Y150-V284 HydrophobicContact CE2-CG2 4.11Å; Y150-V284 HydrophobicContact CG-CG1 4.24Å; Y150-Q286 PolarHBondContact OH-NE2 3.23Å
151E98.1Very high97.6Very high88 Ų8854.4 Ų54.441%0.41127%0.267SS..  trans-127150.917159.6178148.800110.7S78 W79 P153 R157S78-E151 PolarHBondContact OG-OE1 2.9Å; W79-E151 WeakPolarHBondContact CZ2-O 3.05Å; W79-E151 PolarHBondContact NE1-O 3.16Å; E151-P153 WeakPolarHBondContact O-CD 3.46Å; E151-R157 IonicContact OE2-NH2 2.68Å; E151-R157 PolarHBondContact OE2-NH2 3.47Å; E151-R157 VanDerWaalsContact OE2-NH2 3.09Å
152V98.4Very high97.6Very high39 Ų3954.5 Ų54.524%0.23625%0.252CS..  trans-67.5125.8175-178.60000108.6F156 R157 W196V152-F156 HydrophobicContact CG1-CB 3.95Å; V152-R157 HydrophobicContact CB-CG 4.4Å; V152-R157 HydrophobicContact CG1-CG 4.17Å; V152-R157 PolarHBondContact O-NE 3.06Å; V152-R157 PolarHBondContact O-NH2 3.18Å; V152-W196 HydrophobicContact CB-CZ2 4.35Å; V152-W196 HydrophobicContact CG1-CZ2 3.96Å; V152-W196 HydrophobicContact CG2-CZ2 4.12Å
153P97.6Very high97.7Very high8 Ų849.9 Ų49.95%0.05223%0.232CC..  trans-56.7148.4177-23.832.4000111.8C75 W79 E151 F155 F156C75-P153 HydrophobicContact CB-CB 4.42Å; C75-P153 HydrophobicContact CB-CG 4.23Å; W79-P153 HydrophobicContact CZ2-CG 4.45Å; E151-P153 WeakPolarHBondContact O-CD 3.46Å; P153-F155 PolarHBondContact O-N 2.96Å; P153-F156 HydrophobicContact CB-CD2 3.71Å; P153-F156 HydrophobicContact CB-CE2 3.91Å; P153-F156 HydrophobicContact CG-CD2 3.89Å; P153-F156 HydrophobicContact CG-CE2 4.07Å; P153-F156 PolarHBondContact O-N 3.34Å
154L96.6Very high97.6Very high99 Ų9949.6 Ų49.652%0.51823%0.231SC..G310 helixtrans-51.6-38.5-171.5-178.462.1000113.4P56 F156P56-L154 HydrophobicContact CG-CD2 3.65Å; P56-L154 HydrophobicContact CG-CG 3.99Å; L154-F156 PolarHBondContact O-N 3.07Å; L154-F156 VanDerWaalsContact O-N 3.17Å
155F98Very high97.4Very high25 Ų2544.5 Ų44.511%0.1122%0.219CC..G310 helixtrans-64-17.8-177.5-46.7-64.5000114.8A51 L54 F59 L72 P153A51-F155 HydrophobicContact CB-CE2 3.84Å; A51-F155 HydrophobicContact CB-CZ 4.17Å; L54-F155 HydrophobicContact CB-CZ 4.22Å; L54-F155 HydrophobicContact CD2-CE1 4.28Å; L54-F155 HydrophobicContact CD2-CZ 4.14Å; L54-F155 HydrophobicContact CG-CE1 4.27Å; L54-F155 HydrophobicContact CG-CZ 4.33Å; L54-F155 WeakPolarHBondContact O-CE1 3.44Å; L54-F155 WeakPolarHBondContact O-CZ 3.47Å; F59-F155 HydrophobicContact CB-CD1 3.56Å; F59-F155 HydrophobicContact CB-CE1 3.88Å; F59-F155 HydrophobicContact CB-CG 4.32Å; F59-F155 HydrophobicContact CD1-CB 3.75Å; F59-F155 HydrophobicContact CD1-CD1 4.05Å; F59-F155 HydrophobicContact CD1-CG 4.12Å; F59-F155 HydrophobicContact CD2-CD1 4.29Å; F59-F155 HydrophobicContact CD2-CG 4.24Å; F59-F155 HydrophobicContact CE1-CB 3.88Å; F59-F155 HydrophobicContact CG-CB 4.09Å; F59-F155 AromaticContact CG-CD1 3.69Å; F59-F155 HydrophobicContact CG-CD1 3.69Å; F59-F155 HydrophobicContact CG-CE1 4.36Å; F59-F155 AromaticContact CG-CG 3.94Å; F59-F155 HydrophobicContact CG-CG 3.94Å; F59-F155 HydrophobicContact CZ-CB 4.34Å; L72-F155 HydrophobicContact CD1-CD2 3.7Å; L72-F155 HydrophobicContact CD1-CE2 3.99Å; P153-F155 PolarHBondContact O-N 2.96Å
156F98.1Very high97.1Very high3 Ų343.4 Ų43.41%0.01322%0.216CC..G310 helixtrans-118.916-168.7-45.6-56.1000113.4F59 L72 V152 P153 L154 W196 T264 F266 F288F59-F156 HydrophobicContact CE1-CE1 4.07Å; F59-F156 HydrophobicContact CE2-CE1 4.44Å; F59-F156 AromaticContact CZ-CE1 3.66Å; F59-F156 HydrophobicContact CZ-CE1 3.66Å; F59-F156 HydrophobicContact CZ-CZ 4.24Å; L72-F156 HydrophobicContact CD1-CE2 4.08Å; L72-F156 HydrophobicContact CD1-CZ 3.69Å; V152-F156 HydrophobicContact CG1-CB 3.95Å; P153-F156 HydrophobicContact CB-CD2 3.71Å; P153-F156 HydrophobicContact CB-CE2 3.91Å; P153-F156 HydrophobicContact CG-CD2 3.89Å; P153-F156 HydrophobicContact CG-CE2 4.07Å; P153-F156 PolarHBondContact O-N 3.34Å; L154-F156 PolarHBondContact O-N 3.07Å; L154-F156 VanDerWaalsContact O-N 3.17Å; F156-W196 VanDerWaalsContact CB-CD1 3.45Å; F156-W196 HydrophobicContact CB-CG 4.37Å; F156-W196 HydrophobicContact CD1-CB 4.45Å; F156-W196 AromaticContact CD1-CD1 3.96Å; F156-W196 HydrophobicContact CD1-CG 4.46Å; F156-W196 HydrophobicContact CD2-CB 3.74Å; F156-W196 AromaticContact CD2-CD1 3.34Å; F156-W196 HydrophobicContact CD2-CD2 4.01Å; F156-W196 AromaticContact CD2-CG 3.41Å; F156-W196 HydrophobicContact CD2-CG 3.41Å; F156-W196 VanDerWaalsContact CD2-CG 3.41Å; F156-W196 AromaticContact CD2-NE1 3.83Å; F156-W196 HydrophobicContact CE1-CB 4.22Å; F156-W196 HydrophobicContact CE2-CB 3.48Å; F156-W196 VanDerWaalsContact CE2-CB 3.48Å; F156-W196 HydrophobicContact CE2-CD2 4.42Å; F156-W196 AromaticContact CE2-CG 3.71Å; F156-W196 HydrophobicContact CE2-CG 3.71Å; F156-W196 HydrophobicContact CG-CB 4.22Å; F156-W196 AromaticContact CG-CD1 3.29Å; F156-W196 AromaticContact CG-CG 3.84Å; F156-W196 HydrophobicContact CG-CG 3.84Å; F156-W196 AromaticContact CG-NE1 3.84Å; F156-W196 HydrophobicContact CZ-CB 3.74Å; F156-W196 HydrophobicContact CZ-CG 4.34Å; F156-T264 HydrophobicContact CE2-CG2 4.46Å; F156-F266 AromaticContact CE1-CD2 3.77Å; F156-F266 HydrophobicContact CE1-CD2 3.77Å; F156-F266 HydrophobicContact CE1-CE2 4.4Å; F156-F266 HydrophobicContact CE1-CG 4.38Å; F156-F266 HydrophobicContact CZ-CB 4.33Å; F156-F266 HydrophobicContact CZ-CD2 4.35Å; F156-F288 HydrophobicContact CB-CD1 4.43Å; F156-F288 HydrophobicContact CB-CE1 4.47Å; F156-F288 HydrophobicContact CD1-CD1 4.35Å; F156-F288 AromaticContact CD1-CE1 3.59Å; F156-F288 HydrophobicContact CD1-CE1 3.59Å; F156-F288 HydrophobicContact CD1-CE2 4.06Å; F156-F288 AromaticContact CD1-CZ 3.42Å; F156-F288 HydrophobicContact CD1-CZ 3.42Å; F156-F288 VanDerWaalsContact CD1-CZ 3.42Å; F156-F288 HydrophobicContact CE1-CE1 4.15Å; F156-F288 AromaticContact CE1-CZ 3.99Å; F156-F288 HydrophobicContact CE1-CZ 3.99Å; F156-F288 HydrophobicContact CG-CE1 4.26Å; F156-F288 HydrophobicContact CG-CZ 4.38Å
157R96.5Very high96.8Very high125 Ų12553.5 Ų53.547%0.47226%0.26SS..  trans-84.5-9-171.3-66.2-177179179.9-5.3115.3E151 V152 D159E151-R157 IonicContact OE2-NH2 2.68Å; E151-R157 PolarHBondContact OE2-NH2 3.47Å; E151-R157 VanDerWaalsContact OE2-NH2 3.09Å; V152-R157 HydrophobicContact CB-CG 4.4Å; V152-R157 HydrophobicContact CG1-CG 4.17Å; V152-R157 PolarHBondContact O-NE 3.06Å; V152-R157 PolarHBondContact O-NH2 3.18Å; R157-D159 VanDerWaalsContact C-N 3.32Å; R157-D159 PolarHBondContact O-N 2.97Å
158D92.5Very high96.5Very high66 Ų6658.4 Ų58.435%0.35328%0.275SS..  trans-54.4-48.3176.2-93.811.8000111.7L160 Q162 T291D158-L160 VanDerWaalsContact C-N 3.35Å; D158-L160 HydrophobicContact CB-CD2 4.45Å; D158-L160 HydrophobicContact CB-CG 4.44Å; D158-L160 PolarHBondContact O-N 3.23Å; D158-L160 VanDerWaalsContact O-N 3.16Å; D158-Q162 PolarHBondContact O-NE2 2.83Å; D158-T291 PolarHBondContact OD2-N 2.87Å; D158-T291 PolarHBondContact OD2-OG1 3.02Å
159D96.6Very high96.5Very high22 Ų2254.1 Ų54.112%0.11825%0.251CS..  trans36.156.6177.9-17229.2000114.6R157 F161 Q162 R169R157-D159 VanDerWaalsContact C-N 3.32Å; R157-D159 PolarHBondContact O-N 2.97Å; D159-F161 PolarHBondContact O-N 2.69Å; D159-Q162 VanDerWaalsContact O-CB 3.3Å; D159-Q162 WeakPolarHBondContact O-CB 3.38Å; D159-Q162 WeakPolarHBondContact O-CG 3.48Å; D159-Q162 PolarHBondContact O-N 3.03Å; D159-R169 VanDerWaalsContact CG-NH2 3.3Å; D159-R169 IonicContact OD1-CZ 2.79Å; D159-R169 IonicContact OD1-NH1 3.49Å; D159-R169 IonicContact OD1-NH2 3.88Å; D159-R169 PolarHBondContact OD1-NH2 3.01Å; D159-R169 IonicContact OD2-CZ 3.74Å; D159-R169 IonicContact OD2-NH1 3.87Å; D159-R169 PolarHBondContact OD2-NH1 2.84Å; D159-R169 IonicContact OD2-NH2 2.81Å; D159-R169 PolarHBondContact OD2-NH2 3.04Å; D159-R169 VanDerWaalsContact OD2-NH2 3.13Å
160L98Very high96.3Very high0 Ų054.8 Ų54.80%026%0.255CS..G310 helixtrans-62-19-167.4-60.5177.5000114.3D158 Q162 F163 A289 S290 F294 W312 L323D158-L160 VanDerWaalsContact C-N 3.35Å; D158-L160 HydrophobicContact CB-CD2 4.45Å; D158-L160 HydrophobicContact CB-CG 4.44Å; D158-L160 PolarHBondContact O-N 3.23Å; D158-L160 VanDerWaalsContact O-N 3.16Å; L160-Q162 PolarHBondContact O-N 3.43Å; L160-F163 HydrophobicContact CD2-CD2 4.42Å; L160-F163 HydrophobicContact CD2-CE2 4.02Å; L160-F163 WeakPolarHBondContact O-CD2 3.49Å; L160-F163 PolarHBondContact O-N 3.47Å; L160-A289 HydrophobicContact CB-CB 3.97Å; L160-A289 WeakPolarHBondContact CG-O 3.28Å; L160-A289 PolarHBondContact N-O 3.4Å; L160-S290 WeakPolarHBondContact CD1-O 3.49Å; L160-F294 HydrophobicContact CD1-CB 4.05Å; L160-F294 HydrophobicContact CD1-CD2 3.76Å; L160-F294 HydrophobicContact CD1-CG 4.2Å; L160-W312 HydrophobicContact CB-CZ2 3.91Å; L160-W312 PolarHBondContact O-NE1 3.02Å; L160-L323 HydrophobicContact CD1-CD1 3.61Å; L160-L323 HydrophobicContact CD1-CD2 4.4Å; L160-L323 HydrophobicContact CD2-CD1 3.47Å; L160-L323 VanDerWaalsContact CD2-CD1 3.47Å; L160-L323 HydrophobicContact CG-CD1 4.14Å
161F98.1Very high96.2Very high9 Ų956 Ų564%0.03927%0.266CS..G310 helixtrans-66.6-14.7172.7-88.8-59.6000113.5D159 F163 A164 L191 T193 A289 V297 T301 L308 W312D159-F161 PolarHBondContact O-N 2.69Å; F161-F163 PolarHBondContact O-N 3.05Å; F161-A164 VanDerWaalsContact O-CB 3.31Å; F161-A164 WeakPolarHBondContact O-CB 3.47Å; F161-A164 PolarHBondContact O-N 3.07Å; F161-L191 HydrophobicContact CZ-CD1 4.02Å; F161-T193 HydrophobicContact CD2-CG2 4.3Å; F161-T193 HydrophobicContact CE2-CG2 3.67Å; F161-A289 HydrophobicContact CD2-CB 3.86Å; F161-A289 HydrophobicContact CE2-CB 4.11Å; F161-V297 HydrophobicContact CE2-CG1 3.55Å; F161-V297 HydrophobicContact CZ-CG1 3.53Å; F161-T301 HydrophobicContact CE1-CG2 4.32Å; F161-L308 HydrophobicContact CE1-CD2 4.34Å; F161-W312 HydrophobicContact CD1-CD2 4.39Å; F161-W312 HydrophobicContact CD1-CE3 4.35Å; F161-W312 HydrophobicContact CD1-CH2 4.19Å; F161-W312 HydrophobicContact CD1-CZ2 4.21Å; F161-W312 HydrophobicContact CD1-CZ3 4.26Å; F161-W312 HydrophobicContact CE1-CD2 4.4Å; F161-W312 AromaticContact CE1-CE3 3.92Å; F161-W312 HydrophobicContact CE1-CE3 3.92Å; F161-W312 AromaticContact CE1-CH2 3.91Å; F161-W312 HydrophobicContact CE1-CH2 3.91Å; F161-W312 HydrophobicContact CE1-CZ2 4.39Å; F161-W312 AromaticContact CE1-CZ3 3.65Å; F161-W312 HydrophobicContact CE1-CZ3 3.65Å; F161-W312 HydrophobicContact CZ-CH2 4.11Å; F161-W312 HydrophobicContact CZ-CZ3 4Å
162Q97.1Very high96.2Very high91 Ų9153.1 Ų53.143%0.42525%0.251SS..G310 helixtrans-55.8-34.2172.673.2-175.3-45.500112.1D158 D159 L160 A164 G165D158-Q162 PolarHBondContact O-NE2 2.83Å; D159-Q162 VanDerWaalsContact O-CB 3.3Å; D159-Q162 WeakPolarHBondContact O-CB 3.38Å; D159-Q162 WeakPolarHBondContact O-CG 3.48Å; D159-Q162 PolarHBondContact O-N 3.03Å; L160-Q162 PolarHBondContact O-N 3.43Å; Q162-A164 PolarHBondContact O-N 2.72Å; Q162-G165 WeakPolarHBondContact O-CA 3.25Å; Q162-G165 PolarHBondContact O-N 2.91Å
163F97.4Very high96.2Very high41 Ų4152.6 Ų52.618%0.1825%0.245CC..G310 helixtrans-70.9-11.8177.7-59.2-67.9000113.6L160 F161 I315 L316 E319 R320L160-F163 HydrophobicContact CD2-CD2 4.42Å; L160-F163 HydrophobicContact CD2-CE2 4.02Å; L160-F163 WeakPolarHBondContact O-CD2 3.49Å; L160-F163 PolarHBondContact O-N 3.47Å; F161-F163 PolarHBondContact O-N 3.05Å; F163-I315 HydrophobicContact CB-CB 4.48Å; F163-I315 HydrophobicContact CB-CG2 4.02Å; F163-I315 HydrophobicContact CD1-CG2 4.2Å; F163-I315 WeakPolarHBondContact O-CB 3.45Å; F163-I315 WeakPolarHBondContact O-CG1 3.22Å; F163-L316 HydrophobicContact CB-CD2 4.03Å; F163-L316 HydrophobicContact CD2-CD2 3.73Å; F163-L316 HydrophobicContact CE2-CD2 4.5Å; F163-L316 HydrophobicContact CG-CD2 4.03Å; F163-E319 HydrophobicContact CD1-CB 4.01Å; F163-E319 HydrophobicContact CD1-CG 4.2Å; F163-E319 HydrophobicContact CE1-CB 3.79Å; F163-E319 HydrophobicContact CE1-CG 4.22Å; F163-R320 HydrophobicContact CE2-CG 4.07Å; F163-R320 HydrophobicContact CZ-CG 4.03Å
164A96.2Very high96.3Very high1 Ų153 Ų531%0.00825%0.246CC..G310 helixtrans-77.1-15.3169.700000112.6F161 Q162 R169 L308 W312F161-A164 VanDerWaalsContact O-CB 3.31Å; F161-A164 WeakPolarHBondContact O-CB 3.47Å; F161-A164 PolarHBondContact O-N 3.07Å; Q162-A164 PolarHBondContact O-N 2.72Å; A164-R169 HydrophobicContact CB-CB 4.48Å; A164-L308 HydrophobicContact CB-CD1 3.86Å; A164-W312 HydrophobicContact CB-CB 4.12Å; A164-W312 HydrophobicContact CB-CG 4.1Å
165G94.7Very high96.4Very high24 Ų2448.4 Ų48.425%0.24722%0.221CC..  trans90.9139.1-179.600000113.2Q162 K167 R168 R169Q162-G165 WeakPolarHBondContact O-CA 3.25Å; Q162-G165 PolarHBondContact O-N 2.91Å; G165-K167 VanDerWaalsContact C-N 3.29Å; G165-K167 PolarHBondContact O-N 2.89Å; G165-K167 VanDerWaalsContact O-N 3.11Å; G165-R168 PolarHBondContact O-N 2.8Å; G165-R169 PolarHBondContact O-N 3.03Å
166E93.1Very high96.4Very high93 Ų9347.2 Ų47.244%0.43522%0.216SC..THydrogen-bonded Turntrans-56-36.2-168.8-165.264.7-177.800114.7R168 R169 Y172 R173E166-R168 VanDerWaalsContact C-N 3.32Å; E166-R168 PolarHBondContact O-N 2.83Å; E166-R169 WeakPolarHBondContact OE2-CD 3.39Å; E166-R169 IonicContact OE2-NH1 3.71Å; E166-Y172 PolarHBondContact OE1-OH 3.12Å; E166-R173 IonicContact OE1-NH2 2.71Å
167K91.9Very high96.4Very high213 Ų21347.1 Ų47.193%0.92622%0.216SC*.THydrogen-bonded Turntrans-76.9-14.8178.9-66.8-175.7179.3178.50114.4G165G165-K167 VanDerWaalsContact C-N 3.29Å; G165-K167 PolarHBondContact O-N 2.89Å; G165-K167 VanDerWaalsContact O-N 3.11Å
168R92.6Very high96.5Very high149 Ų14941.1 Ų41.156%0.56219%0.193SC*.THydrogen-bonded Turntrans-117.4-24.1-170.9-67.2-168-173-157.4-0.2113.8G165 E166 L308G165-R168 PolarHBondContact O-N 2.8Å; E166-R168 VanDerWaalsContact C-N 3.32Å; E166-R168 PolarHBondContact O-N 2.83Å; R168-L308 HydrophobicContact CB-CD1 4.39Å; R168-L308 WeakPolarHBondContact O-CD1 3.46Å
169R96.6Very high96.8Very high18 Ų1838 Ų387%0.06818%0.177CC..SBendtrans-56.7148.4173.465.7-178.8-62.1164.24110.2D159 A164 G165 E166 Y172D159-R169 VanDerWaalsContact CG-NH2 3.3Å; D159-R169 IonicContact OD1-CZ 2.79Å; D159-R169 IonicContact OD1-NH1 3.49Å; D159-R169 IonicContact OD1-NH2 3.88Å; D159-R169 PolarHBondContact OD1-NH2 3.01Å; D159-R169 IonicContact OD2-CZ 3.74Å; D159-R169 IonicContact OD2-NH1 3.87Å; D159-R169 PolarHBondContact OD2-NH1 2.84Å; D159-R169 IonicContact OD2-NH2 2.81Å; D159-R169 PolarHBondContact OD2-NH2 3.04Å; D159-R169 VanDerWaalsContact OD2-NH2 3.13Å; A164-R169 HydrophobicContact CB-CB 4.48Å; G165-R169 PolarHBondContact O-N 3.03Å; E166-R169 WeakPolarHBondContact OE2-CD 3.39Å; E166-R169 IonicContact OE2-NH1 3.71Å; R169-Y172 HydrophobicContact CG-CD1 4.39Å; R169-Y172 VanDerWaalsContact CZ-CD1 3.43Å; R169-Y172 VanDerWaalsContact NE-CE1 3.33Å
170P95.6Very high96.9Very high16 Ų1638.7 Ų38.710%0.10418%0.182CC..PPolyproline II helixtrans-58.5154.3168.4-11.223.3000110.4Y172 L191 L308P170-Y172 PolarHBondContact O-N 3.49Å; P170-L191 HydrophobicContact CG-CD1 3.93Å; P170-L308 HydrophobicContact CG-CD2 4.2Å
171P96.5Very high97Very high47 Ų4739.3 Ų39.331%0.30519%0.185SC..PPolyproline II helixtrans-54.5135.7165.8-30.943.9000110.5W174 D345P171-W174 HydrophobicContact CB-CZ2 4.16Å; P171-W174 VanDerWaalsContact O-CH2 3.28Å; P171-W174 WeakPolarHBondContact O-CH2 3.34Å; P171-D345 WeakPolarHBondContact CB-OD1 3.38Å; P171-D345 WeakPolarHBondContact CD-OD1 3.27Å; P171-D345 WeakPolarHBondContact CG-OD1 3.3Å
172Y98Very high97Very high27 Ų2738.9 Ų38.911%0.10618%0.183CC..  trans-138.9-7.5-165.468.9-83.8000113.3E166 R169 P170 W174 Q286 N287E166-Y172 PolarHBondContact OE1-OH 3.12Å; R169-Y172 HydrophobicContact CG-CD1 4.39Å; R169-Y172 VanDerWaalsContact CZ-CD1 3.43Å; R169-Y172 VanDerWaalsContact NE-CE1 3.33Å; P170-Y172 PolarHBondContact O-N 3.49Å; Y172-W174 WeakPolarHBondContact O-CZ3 3.4Å; Y172-Q286 CarbonylContact O-C 3.51Å; Y172-Q286 WeakPolarHBondContact O-CA 3.48Å; Y172-Q286 VanDerWaalsContact O-CB 3.23Å; Y172-Q286 WeakPolarHBondContact O-CB 3.3Å; Y172-N287 PolarHBondContact O-N 3.05Å
173R98.5Very high97.1Very high28 Ų2835.1 Ų35.111%0.10617%0.168CC..EExtended strand (participates in β ladder)trans-138.7139.6-178.363.2-179.1175.9-160.9-10.1109.4S135 Y137 E139 E166 T285 Q286S135-R173 WeakPolarHBondContact CA-O 3.24Å; S135-R173 WeakPolarHBondContact CB-O 3.43Å; Y137-R173 HydrophobicContact CE1-CG 4.09Å; E139-R173 IonicContact OE1-CZ 2.72Å; E139-R173 IonicContact OE1-NE 2.75Å; E139-R173 IonicContact OE1-NH2 3.47Å; E139-R173 PolarHBondContact OE1-NH2 2.97Å; E166-R173 IonicContact OE1-NH2 2.71Å; R173-T285 CarbonylContact C-O 3.44Å; R173-T285 WeakPolarHBondContact CA-O 3.49Å; R173-Q286 HydrophobicContact CB-CB 4.36Å; R173-Q286 HydrophobicContact CB-CG 3.53Å
174W98.8Very high97.1Very high16 Ų1634.3 Ų34.36%0.06117%0.166CC..EExtended strand (participates in β ladder)trans-135.5131.2-179.6-62.4-98.2000110.9F133 D134 P171 Y172 V176 V284 T285 N287F133-W174 HydrophobicContact CD1-CB 4.2Å; F133-W174 AromaticContact CD1-CD1 3.16Å; F133-W174 AromaticContact CD1-CG 3.74Å; F133-W174 HydrophobicContact CD1-CG 3.74Å; F133-W174 AromaticContact CD1-NE1 3.65Å; F133-W174 HydrophobicContact CE1-CB 3.96Å; F133-W174 AromaticContact CE1-CD1 3.15Å; F133-W174 AromaticContact CE1-CD2 3.76Å; F133-W174 HydrophobicContact CE1-CD2 3.76Å; F133-W174 AromaticContact CE1-CE2 3.82Å; F133-W174 AromaticContact CE1-CG 3.36Å; F133-W174 HydrophobicContact CE1-CG 3.36Å; F133-W174 AromaticContact CE1-NE1 3.4Å; F133-W174 HydrophobicContact CZ-CB 4.21Å; F133-W174 HydrophobicContact CZ-CD2 4.31Å; F133-W174 AromaticContact CZ-CG 3.99Å; F133-W174 HydrophobicContact CZ-CG 3.99Å; D134-W174 WeakPolarHBondContact O-CA 3.38Å; P171-W174 HydrophobicContact CB-CZ2 4.16Å; P171-W174 VanDerWaalsContact O-CH2 3.28Å; P171-W174 WeakPolarHBondContact O-CH2 3.34Å; Y172-W174 WeakPolarHBondContact O-CZ3 3.4Å; W174-V176 HydrophobicContact CB-CG2 3.82Å; W174-V284 WeakPolarHBondContact O-CA 3.28Å; W174-V284 WeakPolarHBondContact O-CG2 3.47Å; W174-T285 HydrophobicContact CB-CG2 4.02Å; W174-T285 HydrophobicContact CE3-CG2 4.17Å; W174-T285 PolarHBondContact N-O 3.39Å; W174-T285 PolarHBondContact O-N 3.07Å; W174-T285 VanDerWaalsContact O-N 3.12Å; W174-N287 HydrophobicContact CZ3-CB 4.23Å; W174-N287 WeakPolarHBondContact CZ3-OD1 3.31Å
175F98.9Very high97.2Very high2 Ų234.8 Ų34.81%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-83.2124.9160.3173.8-94.9000107.7W85 L90 F99 M114 I132 D134 Y137 L146 M177 I282W85-F175 HydrophobicContact CD2-CE2 4.24Å; W85-F175 HydrophobicContact CE3-CE2 4.17Å; W85-F175 HydrophobicContact CH2-CD2 4.21Å; W85-F175 HydrophobicContact CH2-CE2 4.41Å; W85-F175 HydrophobicContact CZ2-CD2 4.41Å; W85-F175 HydrophobicContact CZ2-CE2 4.47Å; W85-F175 HydrophobicContact CZ3-CD2 4.35Å; W85-F175 HydrophobicContact CZ3-CE2 4.26Å; L90-F175 HydrophobicContact CD1-CZ 4.12Å; F99-F175 HydrophobicContact CD1-CD1 4.2Å; F99-F175 HydrophobicContact CE1-CD1 4.18Å; M114-F175 HydrophobicContact CE-CE1 4.37Å; I132-F175 HydrophobicContact CG2-CD1 3.93Å; I132-F175 HydrophobicContact CG2-CE1 4.19Å; D134-F175 PolarHBondContact N-O 3.29Å; D134-F175 PolarHBondContact O-N 2.98Å; Y137-F175 HydrophobicContact CD1-CB 3.91Å; Y137-F175 HydrophobicContact CE1-CB 4Å; Y137-F175 VanDerWaalsContact CE1-N 3.35Å; Y137-F175 HydrophobicContact CG-CB 4.32Å; L146-F175 HydrophobicContact CD1-CB 4.39Å; L146-F175 HydrophobicContact CD1-CD2 4.05Å; L146-F175 HydrophobicContact CD1-CG 4.04Å; L146-F175 HydrophobicContact CD2-CD2 4.39Å; L146-F175 HydrophobicContact CD2-CE2 4.28Å; F175-M177 HydrophobicContact CE1-CB 3.82Å; F175-M177 HydrophobicContact CE1-SD 4.36Å; F175-M177 HydrophobicContact CZ-CB 4.13Å; F175-M177 HydrophobicContact CZ-SD 4.38Å; F175-I282 HydrophobicContact CE2-CG2 3.73Å; F175-I282 HydrophobicContact CZ-CG2 3.83Å
176V98.8Very high97.4Very high1 Ų134.1 Ų34.11%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-125.8126.4-168.4-172.30000110Y131 I132 F133 W174 I282 A283 T285Y131-V176 HydrophobicContact CD2-CG1 4.49Å; Y131-V176 HydrophobicContact CE1-CG1 3.86Å; Y131-V176 HydrophobicContact CE2-CG1 3.51Å; Y131-V176 WeakPolarHBondContact OH-CG1 3.49Å; I132-V176 WeakPolarHBondContact O-CA 3.35Å; F133-V176 HydrophobicContact CD2-CB 4.46Å; F133-V176 HydrophobicContact CD2-CG1 3.87Å; F133-V176 HydrophobicContact CD2-CG2 3.8Å; F133-V176 HydrophobicContact CE2-CG1 4.18Å; F133-V176 HydrophobicContact CE2-CG2 3.75Å; F133-V176 HydrophobicContact CZ-CG2 4.45Å; W174-V176 HydrophobicContact CB-CG2 3.82Å; V176-I282 WeakPolarHBondContact O-CA 3.37Å; V176-A283 PolarHBondContact N-O 2.86Å; V176-A283 PolarHBondContact O-N 3.47Å; V176-T285 HydrophobicContact CG2-CG2 3.93Å
177M98.9Very high97.7Very high0 Ų031.2 Ų31.20%015%0.149CC..EExtended strand (participates in β ladder)trans-149.7128.4-177174.9180175.500110.9L87 L90 M114 Y117 V118 L121 Y131 I132 F175 T281 I282L87-M177 HydrophobicContact CD2-CE 3.14Å; L90-M177 HydrophobicContact CD1-SD 4.35Å; M114-M177 HydrophobicContact CE-SD 4.13Å; M114-M177 HydrophobicContact SD-CE 4.46Å; M114-M177 HydrophobicContact SD-SD 4.09Å; Y117-M177 HydrophobicContact CD1-CE 4.44Å; Y117-M177 HydrophobicContact CE1-CE 4.49Å; Y117-M177 HydrophobicContact CE1-CG 4.17Å; Y117-M177 PolarHBondContact OH-O 3.26Å; V118-M177 HydrophobicContact CG2-CE 4.03Å; L121-M177 HydrophobicContact CD1-CE 3.78Å; Y131-M177 VanDerWaalsContact CD2-O 3.23Å; Y131-M177 WeakPolarHBondContact CD2-O 3.13Å; I132-M177 HydrophobicContact CB-CB 4.17Å; I132-M177 WeakPolarHBondContact CB-O 3.45Å; I132-M177 HydrophobicContact CG2-CB 4.41Å; I132-M177 PolarHBondContact N-O 3.33Å; I132-M177 PolarHBondContact O-N 3.43Å; F175-M177 HydrophobicContact CE1-CB 3.82Å; F175-M177 HydrophobicContact CE1-SD 4.36Å; F175-M177 HydrophobicContact CZ-CB 4.13Å; F175-M177 HydrophobicContact CZ-SD 4.38Å; M177-T281 VanDerWaalsContact CA-O 3.32Å; M177-T281 WeakPolarHBondContact CA-O 3.38Å; M177-I282 HydrophobicContact CG-CG1 4.09Å; M177-I282 HydrophobicContact SD-CG1 4.48Å
178G98.8Very high97.9Very high0 Ų021.2 Ų21.20%011%0.105CC..EExtended strand (participates in β ladder)trans-159.1153.2-175.100000115.7Y117 S182 T280 T281Y117-G178 WeakPolarHBondContact OH-CA 3.43Å; G178-S182 WeakPolarHBondContact CA-OG 2.97Å; G178-T280 WeakPolarHBondContact O-CA 3.34Å; G178-T281 PolarHBondContact N-O 2.95Å; G178-T281 VanDerWaalsContact N-O 3.12Å; G178-T281 PolarHBondContact O-N 3.13Å
179P98.8Very high98.2Very high1 Ų114.7 Ų14.71%0.0068%0.081CC..  trans-70.8171.317129.1-34.6000112.7Y117 L121 T124 P129 S182 D279Y117-P179 WeakPolarHBondContact OH-CD 3.4Å; L121-P179 HydrophobicContact CG-CB 3.96Å; T124-P179 HydrophobicContact CG2-CB 4.2Å; T124-P179 HydrophobicContact CG2-CG 4.12Å; P129-P179 HydrophobicContact CB-CG 3.38Å; P129-P179 HydrophobicContact CG-CG 3.76Å; P179-S182 WeakPolarHBondContact O-CB 3.44Å; P179-S182 PolarHBondContact O-N 2.89Å; P179-S182 PolarHBondContact O-OG 3.21Å; P179-D279 CarbonylContact C-O 3.57Å
180P98.8Very high98.1Very high36 Ų3615.4 Ų15.423%0.2349%0.089CC..THydrogen-bonded Turntrans-47.2147.1164-14.514.9000112.4V37 S182 N277 L278V37-P180 HydrophobicContact CG2-CB 4.48Å; P180-S182 PolarHBondContact O-N 2.82Å; P180-S182 VanDerWaalsContact O-N 3.15Å; P180-N277 CarbonylContact C-O 3.52Å; P180-N277 WeakPolarHBondContact CA-O 3.3Å; P180-L278 WeakPolarHBondContact CB-O 3.38Å
181R98.7Very high98.2Very high13 Ų1315.3 Ų15.35%0.0499%0.087CC..THydrogen-bonded Turntrans70.8-16.1-177.9-51.2178.1-61.6-72-7.1116.3V37 D126 D127 V233 L276 N277V37-R181 HydrophobicContact CG1-CG 3.91Å; D126-R181 PolarHBondContact O-NE 3.15Å; D126-R181 PolarHBondContact O-NH2 2.93Å; D127-R181 VanDerWaalsContact O-CB 3.31Å; D127-R181 WeakPolarHBondContact O-CB 3.36Å; R181-V233 HydrophobicContact CB-CG2 4.45Å; R181-L276 WeakPolarHBondContact O-CD1 3.34Å; R181-N277 PolarHBondContact N-O 2.88Å
182S98.9Very high98.2Very high0 Ų013.1 Ų13.10%07%0.073CC..  trans-68.7158168.967.90000110.3G178 P179 P180 N277G178-S182 WeakPolarHBondContact CA-OG 2.97Å; P179-S182 WeakPolarHBondContact O-CB 3.44Å; P179-S182 PolarHBondContact O-N 2.89Å; P179-S182 PolarHBondContact O-OG 3.21Å; P180-S182 PolarHBondContact O-N 2.82Å; P180-S182 VanDerWaalsContact O-N 3.15Å; S182-N277 VanDerWaalsContact O-CB 3.25Å; S182-N277 WeakPolarHBondContact O-CB 3.47Å; S182-N277 PolarHBondContact O-N 2.61Å; S182-N277 PolarHBondContact O-ND2 3.43Å; S182-N277 VanDerWaalsContact O-ND2 3.12Å; S182-N277 PolarHBondContact OG-ND2 3Å
183G98.5Very high98.2Very high11 Ų1112.1 Ų12.111%0.1137%0.07CC..EExtended strand (participates in β ladder)trans172.8-166.9-177.800000112.7V275G183-V275 CarbonylContact C-O 3.59Å; G183-V275 WeakPolarHBondContact CA-O 3.47Å
184T98.4Very high98.2Very high24 Ų2410.9 Ų10.915%0.1477%0.065CC..EExtended strand (participates in β ladder)trans-126.2125.5175.5-52.10000108.4H187 V274 V275T184-H187 VanDerWaalsContact CG2-CE1 3.44Å; T184-H187 WeakPolarHBondContact CG2-CE1 3.18Å; T184-V274 WeakPolarHBondContact O-CG2 3.14Å; T184-V275 PolarHBondContact N-O 2.85Å; T184-V275 PolarHBondContact O-N 3.24Å
185G98.3Very high98.2Very high12 Ų1210.3 Ų10.312%0.1246%0.064CC..EExtended strand (participates in β ladder)trans-58.5170.3176.100000113H187 D230G185-H187 PolarHBondContact O-N 3.04Å; G185-H187 PolarHBondContact O-ND1 3.21Å; G185-D230 VanDerWaalsContact CA-O 3.26Å; G185-D230 WeakPolarHBondContact CA-O 3.4Å
186I98.5Very high98.2Very high9 Ų910.2 Ų10.25%0.0466%0.064CC..EExtended strand (participates in β ladder)trans-66.3124.8-177.1-160.4166.6000111.6F209 I218 K219 W235 W272 H273 V274I186-F209 HydrophobicContact CD1-CD2 3.89Å; I186-F209 HydrophobicContact CD1-CE2 3.95Å; I186-I218 HydrophobicContact CD1-CB 3.99Å; I186-I218 HydrophobicContact CD1-CD1 3.91Å; I186-I218 HydrophobicContact CD1-CG1 4.24Å; I186-K219 HydrophobicContact CG2-CD 3.57Å; I186-W235 HydrophobicContact CD1-CZ2 3.92Å; I186-W272 HydrophobicContact CD1-CB 4.2Å; I186-W272 HydrophobicContact CG1-CB 4.12Å; I186-W272 HydrophobicContact CG1-CE3 4.13Å; I186-H273 WeakPolarHBondContact CA-O 3.37Å; I186-V274 HydrophobicContact CB-CB 3.93Å; I186-V274 HydrophobicContact CG1-CB 4.23Å
187H98.3Very high98.2Very high33 Ų3310.8 Ų10.815%0.1537%0.067CC..EExtended strand (participates in β ladder)trans-154171.2-173.971-72.8000111.5T184 G185 W272 H273 D341T184-H187 VanDerWaalsContact CG2-CE1 3.44Å; T184-H187 WeakPolarHBondContact CG2-CE1 3.18Å; G185-H187 PolarHBondContact O-N 3.04Å; G185-H187 PolarHBondContact O-ND1 3.21Å; H187-W272 CarbonylContact O-C 3.58Å; H187-W272 WeakPolarHBondContact O-CA 3.39Å; H187-H273 AromaticContact CD2-NE2 3.97Å; H187-H273 AromaticContact CE1-CD2 3.49Å; H187-H273 PolarHBondContact CE1-CD2 3.22Å; H187-H273 VanDerWaalsContact CE1-CD2 3.49Å; H187-H273 AromaticContact CE1-CE1 3.83Å; H187-H273 AromaticContact CE1-NE2 3.14Å; H187-H273 PolarHBondContact CE1-NE2 3.01Å; H187-H273 PolarHBondContact N-O 2.9Å; H187-H273 VanDerWaalsContact N-O 3.12Å; H187-H273 AromaticContact ND1-NE2 3.98Å; H187-H273 PolarHBondContact ND1-O 3.12Å; H187-H273 AromaticContact NE2-CD2 3.98Å; H187-H273 AromaticContact NE2-CE1 3.62Å; H187-H273 AromaticContact NE2-NE2 3.16Å; H187-H273 PolarHBondContact NE2-NE2 2.94Å; H187-H273 VanDerWaalsContact NE2-NE2 3.16Å; H187-H273 PolarHBondContact O-N 2.92Å; H187-H273 PolarHBondContact O-ND1 3.31Å; H187-D341 WeakPolarHBondContact CB-OD2 3.37Å
188I97.9Very high98.2Very high2 Ų210.8 Ų10.81%0.017%0.067CC..  trans-121.9134.1169.2-60.9175000108.5W272 A339 D341I188-W272 HydrophobicContact CD1-CD2 3.71Å; I188-W272 HydrophobicContact CD1-CE3 4.2Å; I188-W272 HydrophobicContact CD1-CG 4.06Å; I188-W272 HydrophobicContact CD1-CH2 4.3Å; I188-W272 HydrophobicContact CD1-CZ2 3.84Å; I188-W272 HydrophobicContact CD1-CZ3 4.46Å; I188-W272 HydrophobicContact CG1-CB 4.46Å; I188-W272 HydrophobicContact CG1-CD2 3.58Å; I188-W272 HydrophobicContact CG1-CE3 3.7Å; I188-W272 HydrophobicContact CG1-CG 3.92Å; I188-W272 HydrophobicContact CG1-CH2 4.45Å; I188-W272 HydrophobicContact CG1-CZ2 4.38Å; I188-W272 HydrophobicContact CG1-CZ3 4.14Å; I188-A339 HydrophobicContact CD1-CB 3.35Å; I188-A339 WeakPolarHBondContact CG2-O 3.49Å; I188-D341 PolarHBondContact N-OD2 3.48Å; I188-D341 WeakPolarHBondContact O-CB 3.5Å; I188-D341 PolarHBondContact O-N 3.05Å
189D97.8Very high98.2Very high12 Ų1210.8 Ų10.86%0.0647%0.067CC..  trans-52.6140.7178.7-81.9-49.6000113.7A195 H273 N287 S340D189-A195 VanDerWaalsContact OD2-CB 3.24Å; D189-A195 WeakPolarHBondContact OD2-CB 3.26Å; D189-H273 IonicContact OD2-CE1 3.13Å; D189-H273 PolarHBondContact OD2-CE1 3.4Å; D189-H273 IonicContact OD2-NE2 3.88Å; D189-N287 VanDerWaalsContact CG-ND2 3.3Å; D189-N287 PolarHBondContact OD1-ND2 3Å; D189-S340 PolarHBondContact O-OG 3.31Å
190P95.6Very high98.2Very high34 Ų3411.1 Ų11.122%0.2217%0.068CC..G310 helixtrans-72.6159.6-171.128.9-36.7000113.1G192 T193 S340 D341P190-G192 PolarHBondContact O-N 2.98Å; P190-T193 WeakPolarHBondContact O-CB 3.5Å; P190-T193 PolarHBondContact O-N 3.32Å; P190-T193 PolarHBondContact O-OG1 3.39Å; P190-S340 VanDerWaalsContact C-OG 3.32Å; P190-D341 VanDerWaalsContact CA-O 3.26Å; P190-D341 WeakPolarHBondContact CA-O 3.43Å; P190-D341 WeakPolarHBondContact CB-O 3.37Å
191L96.2Very high98.2Very high13 Ų1312.5 Ų12.57%0.0687%0.072CC..G310 helixtrans51.824.1-179.1-53.6177.7000114.4F161 P170 T193 V297 R305 S340F161-L191 HydrophobicContact CZ-CD1 4.02Å; P170-L191 HydrophobicContact CG-CD1 3.93Å; L191-T193 PolarHBondContact O-N 3.32Å; L191-V297 WeakPolarHBondContact O-CA 3.3Å; L191-R305 HydrophobicContact CD2-CG 4.5Å; L191-S340 WeakPolarHBondContact CA-OG 3.32Å; L191-S340 PolarHBondContact N-OG 2.87Å
192G96.6Very high98.2Very high1 Ų112.2 Ų12.21%0.017%0.073CC..G310 helixtrans65.120-177.500000114.2P190 V297 S340P190-G192 PolarHBondContact O-N 2.98Å; G192-V297 WeakPolarHBondContact O-CG2 3.41Å; G192-S340 PolarHBondContact N-OG 3.2Å
193T98.5Very high98.2Very high7 Ų713.9 Ų13.94%0.0438%0.081CC..  trans-65.8155.2174.253.10000110.8F161 P190 L191 G269 N287 V297F161-T193 HydrophobicContact CD2-CG2 4.3Å; F161-T193 HydrophobicContact CE2-CG2 3.67Å; P190-T193 WeakPolarHBondContact O-CB 3.5Å; P190-T193 PolarHBondContact O-N 3.32Å; P190-T193 PolarHBondContact O-OG1 3.39Å; L191-T193 PolarHBondContact O-N 3.32Å; T193-G269 WeakPolarHBondContact O-CA 3.5Å; T193-N287 PolarHBondContact OG1-ND2 2.59Å; T193-V297 HydrophobicContact CG2-CG2 4.33Å
194S98.8Very high98.3Very high1 Ų113.4 Ų13.41%0.0078%0.076CC..EExtended strand (participates in β ladder)trans-98.5163.4165.2-53.40000108.8V267 G269 N287 F288 N293S194-V267 CarbonylContact C-O 3.57Å; S194-V267 WeakPolarHBondContact CA-O 3.49Å; S194-V267 WeakPolarHBondContact CB-O 3.23Å; S194-G269 PolarHBondContact OG-N 3.01Å; S194-N287 CarbonylContact O-C 3.55Å; S194-N287 VanDerWaalsContact O-CA 3.27Å; S194-N287 WeakPolarHBondContact O-CA 3.41Å; S194-F288 PolarHBondContact N-O 3.34Å; S194-F288 VanDerWaalsContact O-CD1 3.31Å; S194-F288 WeakPolarHBondContact O-CD1 3.19Å; S194-F288 PolarHBondContact O-N 3.31Å; S194-N293 PolarHBondContact N-ND2 3.32Å; S194-N293 PolarHBondContact OG-ND2 2.88Å
195A98.8Very high98.3Very high4 Ų413.2 Ų13.23%0.0337%0.072CC..EExtended strand (participates in β ladder)trans-134158.8-179.900000112.6D189 V267 Q286D189-A195 VanDerWaalsContact OD2-CB 3.24Å; D189-A195 WeakPolarHBondContact OD2-CB 3.26Å; A195-V267 HydrophobicContact CB-CB 4.39Å; A195-V267 PolarHBondContact N-O 2.72Å; A195-V267 PolarHBondContact O-N 3.21Å; A195-Q286 VanDerWaalsContact CA-O 3.23Å; A195-Q286 WeakPolarHBondContact CA-O 3.44Å
196W98.9Very high98.3Very high1 Ų112.9 Ų12.90%0.0047%0.067CC..EExtended strand (participates in β ladder)trans-127.3138163.958.7-93000109.7W79 Y150 V152 F156 A198 T264 V265 V284 T285 Q286 F288W79-W196 HydrophobicContact CH2-CH2 4.5Å; W79-W196 HydrophobicContact CH2-CZ3 4.1Å; Y150-W196 HydrophobicContact CD2-CH2 4.39Å; Y150-W196 HydrophobicContact CE2-CH2 4.12Å; V152-W196 HydrophobicContact CB-CZ2 4.35Å; V152-W196 HydrophobicContact CG1-CZ2 3.96Å; V152-W196 HydrophobicContact CG2-CZ2 4.12Å; F156-W196 VanDerWaalsContact CB-CD1 3.45Å; F156-W196 HydrophobicContact CB-CG 4.37Å; F156-W196 HydrophobicContact CD1-CB 4.45Å; F156-W196 AromaticContact CD1-CD1 3.96Å; F156-W196 HydrophobicContact CD1-CG 4.46Å; F156-W196 HydrophobicContact CD2-CB 3.74Å; F156-W196 AromaticContact CD2-CD1 3.34Å; F156-W196 HydrophobicContact CD2-CD2 4.01Å; F156-W196 AromaticContact CD2-CG 3.41Å; F156-W196 HydrophobicContact CD2-CG 3.41Å; F156-W196 VanDerWaalsContact CD2-CG 3.41Å; F156-W196 AromaticContact CD2-NE1 3.83Å; F156-W196 HydrophobicContact CE1-CB 4.22Å; F156-W196 HydrophobicContact CE2-CB 3.48Å; F156-W196 VanDerWaalsContact CE2-CB 3.48Å; F156-W196 HydrophobicContact CE2-CD2 4.42Å; F156-W196 AromaticContact CE2-CG 3.71Å; F156-W196 HydrophobicContact CE2-CG 3.71Å; F156-W196 HydrophobicContact CG-CB 4.22Å; F156-W196 AromaticContact CG-CD1 3.29Å; F156-W196 AromaticContact CG-CG 3.84Å; F156-W196 HydrophobicContact CG-CG 3.84Å; F156-W196 AromaticContact CG-NE1 3.84Å; F156-W196 HydrophobicContact CZ-CB 3.74Å; F156-W196 HydrophobicContact CZ-CG 4.34Å; W196-A198 HydrophobicContact CE3-CB 4.05Å; W196-A198 HydrophobicContact CZ3-CB 3.8Å; W196-T264 HydrophobicContact CB-CG2 4.26Å; W196-T264 HydrophobicContact CE3-CG2 4.26Å; W196-V265 CarbonylContact C-O 2.91Å; W196-V265 VanDerWaalsContact CA-O 3.24Å; W196-V265 WeakPolarHBondContact CA-O 3.34Å; W196-V284 HydrophobicContact CH2-CG1 4.35Å; W196-V284 HydrophobicContact CZ3-CG1 4.05Å; W196-T285 WeakPolarHBondContact O-CA 3.26Å; W196-T285 PolarHBondContact O-OG1 3.4Å; W196-Q286 HydrophobicContact CD2-CB 4.48Å; W196-Q286 HydrophobicContact CH2-CG 3.83Å; W196-Q286 HydrophobicContact CZ2-CB 3.73Å; W196-Q286 HydrophobicContact CZ2-CG 3.33Å; W196-Q286 PolarHBondContact N-O 3.4Å; W196-Q286 PolarHBondContact O-N 2.9Å; W196-F288 AromaticContact CD1-CD1 3.83Å
197N98.9Very high98.3Very high13 Ų1312.4 Ų12.47%0.077%0.065CC..EExtended strand (participates in β ladder)trans-122.7108.5179.9-168.9-60000110.2W206 Q259 T264 V265N197-W206 HydrophobicContact CB-CH2 3.79Å; N197-W206 HydrophobicContact CB-CZ2 3.93Å; N197-Q259 PolarHBondContact O-NE2 3.2Å; N197-T264 CarbonylContact O-C 3.5Å; N197-T264 VanDerWaalsContact O-CA 3.32Å; N197-T264 WeakPolarHBondContact O-CA 3.5Å; N197-V265 PolarHBondContact N-O 2.97Å; N197-V265 PolarHBondContact O-N 3.24Å
198A98.9Very high98.4Very high0 Ų010.9 Ų10.90%06%0.058CC..EExtended strand (participates in β ladder)trans-97.5111.6-18000000110.6W79 W196 T264 A283 V284W79-A198 HydrophobicContact CH2-CB 3.45Å; W79-A198 VanDerWaalsContact CH2-CB 3.45Å; W79-A198 HydrophobicContact CZ3-CB 3.71Å; W196-A198 HydrophobicContact CE3-CB 4.05Å; W196-A198 HydrophobicContact CZ3-CB 3.8Å; A198-T264 HydrophobicContact CB-CG2 4.11Å; A198-A283 VanDerWaalsContact O-CA 3.25Å; A198-A283 WeakPolarHBondContact O-CA 3.33Å; A198-A283 VanDerWaalsContact O-CB 3.3Å; A198-A283 WeakPolarHBondContact O-CB 3.48Å; A198-V284 HydrophobicContact CB-CG1 4.14Å; A198-V284 PolarHBondContact N-O 2.71Å; A198-V284 PolarHBondContact O-N 2.55Å
199L98.9Very high98.4Very high0 Ų010.8 Ų10.80%06%0.057CC..EExtended strand (participates in β ladder)trans-89122.4178.6-175.959000110.2Q76 Q201 G202 K204 Q259 G262 E263 T281 A283Q76-L199 PolarHBondContact NE2-O 2.98Å; Q76-L199 VanDerWaalsContact NE2-O 3.15Å; Q76-L199 PolarHBondContact OE1-O 3.42Å; L199-Q201 WeakPolarHBondContact CD1-O 3.44Å; L199-G202 VanDerWaalsContact CD2-O 3.31Å; L199-G202 WeakPolarHBondContact CD2-O 3.37Å; L199-K204 HydrophobicContact CD1-CD 4Å; L199-K204 HydrophobicContact CD1-CG 4.12Å; L199-K204 HydrophobicContact CD2-CB 4.35Å; L199-K204 HydrophobicContact CD2-CD 4.4Å; L199-K204 HydrophobicContact CD2-CG 4.08Å; L199-Q259 HydrophobicContact CB-CG 3.96Å; L199-Q259 VanDerWaalsContact CB-NE2 3.33Å; L199-Q259 HydrophobicContact CD2-CB 4.1Å; L199-Q259 HydrophobicContact CD2-CG 3.75Å; L199-Q259 VanDerWaalsContact CD2-O 3.31Å; L199-Q259 WeakPolarHBondContact CD2-O 3.32Å; L199-G262 PolarHBondContact O-N 3.39Å; L199-E263 PolarHBondContact N-O 2.68Å; L199-E263 VanDerWaalsContact N-O 3.09Å; L199-T281 HydrophobicContact CD1-CG2 4.42Å; L199-A283 HydrophobicContact CD1-CB 4.05Å
200V98.9Very high98.4Very high7 Ų711.8 Ų11.84%0.0427%0.065CC..EExtended strand (participates in β ladder)trans-100.4-39.1-179.1-177.90000111.5W79 A81 W85 I282W79-V200 HydrophobicContact CE3-CG2 4.27Å; W79-V200 HydrophobicContact CZ3-CG2 4.27Å; A81-V200 HydrophobicContact CB-CG1 4.06Å; A81-V200 HydrophobicContact CB-CG2 4.18Å; W85-V200 HydrophobicContact CB-CG1 4.34Å; W85-V200 HydrophobicContact CE3-CB 4.06Å; W85-V200 HydrophobicContact CE3-CG1 4.3Å; W85-V200 HydrophobicContact CE3-CG2 3.69Å; W85-V200 HydrophobicContact CZ3-CG2 3.79Å; V200-I282 PolarHBondContact N-O 2.91Å
201Q98.8Very high98.4Very high65 Ų6512 Ų1230%0.3047%0.065SC..EExtended strand (participates in β ladder)trans-135.3145.5178.5-64-67.2-22.600110.4R82 W85 L199 T281 I282R82-Q201 PolarHBondContact O-NE2 3.39Å; W85-Q201 VanDerWaalsContact O-CG 3.25Å; W85-Q201 WeakPolarHBondContact O-CG 3.44Å; L199-Q201 WeakPolarHBondContact CD1-O 3.44Å; Q201-T281 VanDerWaalsContact O-CA 3.24Å; Q201-T281 WeakPolarHBondContact O-CA 3.48Å; Q201-I282 HydrophobicContact CB-CB 4.11Å; Q201-I282 HydrophobicContact CB-CD1 4.31Å; Q201-I282 HydrophobicContact CB-CG1 4.28Å; Q201-I282 HydrophobicContact CG-CB 4.45Å; Q201-I282 HydrophobicContact CG-CD1 4.19Å; Q201-I282 PolarHBondContact N-O 3.01Å; Q201-I282 VanDerWaalsContact N-O 3.1Å; Q201-I282 PolarHBondContact O-N 3.36Å
202G98.7Very high98.4Very high7 Ų716.7 Ų16.77%0.0729%0.09CC..SBendtrans82.3-163.5175.600000114.7L199 P261 D279 T280L199-G202 VanDerWaalsContact CD2-O 3.31Å; L199-G202 WeakPolarHBondContact CD2-O 3.37Å; G202-P261 WeakPolarHBondContact O-CD 3.42Å; G202-P261 VanDerWaalsContact O-CG 3.28Å; G202-P261 WeakPolarHBondContact O-CG 3.38Å; G202-D279 VanDerWaalsContact C-OD1 3.31Å; G202-D279 WeakPolarHBondContact CA-OD1 3.49Å; G202-T280 WeakPolarHBondContact CA-O 3.31Å
203H98.9Very high98.4Very high36 Ų3616.9 Ų16.917%0.1679%0.091CC..  trans-133.4134.3-176.6-58.386.3000111.5H39 L258 Q259 L278 D279 T281H39-H203 HydrophobicContact CB-CB 4.44Å; H203-L258 HydrophobicContact CB-CD1 4.25Å; H203-Q259 WeakPolarHBondContact CA-O 3.36Å; H203-L278 HydrophobicContact CB-CB 4.24Å; H203-L278 HydrophobicContact CB-CD1 4.19Å; H203-L278 PolarHBondContact O-N 3.46Å; H203-D279 IonicContact CE1-OD2 2.66Å; H203-D279 IonicContact CG-OD2 2.66Å; H203-D279 PolarHBondContact N-OD1 3.39Å; H203-D279 IonicContact ND1-OD2 2.95Å; H203-D279 PolarHBondContact ND1-OD2 3.4Å; H203-T281 WeakPolarHBondContact O-CG2 3.24Å
204K98.9Very high98.4Very high1 Ų118.6 Ų18.60%0.00410%0.102CC..EExtended strand (participates in β ladder)trans-116.4136.1175.1-65.9176.4178.1-68.70110.3Y131 L199 W206 Q259 V275 L276 N277 T281Y131-K204 PolarHBondContact OH-NZ 3.11Å; L199-K204 HydrophobicContact CD1-CD 4Å; L199-K204 HydrophobicContact CD1-CG 4.12Å; L199-K204 HydrophobicContact CD2-CB 4.35Å; L199-K204 HydrophobicContact CD2-CD 4.4Å; L199-K204 HydrophobicContact CD2-CG 4.08Å; K204-W206 HydrophobicContact CD-CZ2 4.35Å; K204-Q259 HydrophobicContact CB-CB 4.15Å; K204-Q259 PolarHBondContact N-O 2.83Å; K204-Q259 VanDerWaalsContact N-O 3.12Å; K204-Q259 PolarHBondContact O-N 3.04Å; K204-V275 HydrophobicContact CB-CG1 3.98Å; K204-V275 HydrophobicContact CD-CG1 4.02Å; K204-V275 HydrophobicContact CG-CG1 4.23Å; K204-L276 WeakPolarHBondContact CA-O 3.44Å; K204-N277 PolarHBondContact NZ-OD1 3.08Å; K204-T281 HydrophobicContact CG-CG2 4Å; K204-T281 PolarHBondContact NZ-OG1 3.15Å
205R98.9Very high98.2Very high20 Ų2025.9 Ų25.98%0.07513%0.13CC..EExtended strand (participates in β ladder)trans-101.2130.5172-179.1-179.3-170.6171.15.1109.7V42 F236 Y240 V257 V275 L276 L278V42-R205 HydrophobicContact CG1-CB 4.48Å; V42-R205 HydrophobicContact CG1-CG 3.84Å; V42-R205 HydrophobicContact CG2-CG 4.26Å; R205-F236 HydrophobicContact CB-CZ 4.42Å; R205-F236 HydrophobicContact CG-CE1 3.81Å; R205-F236 HydrophobicContact CG-CZ 3.79Å; R205-Y240 PolarHBondContact NH2-OH 2.82Å; R205-V257 CarbonylContact C-O 3.58Å; R205-V257 WeakPolarHBondContact CA-O 3.04Å; R205-V275 WeakPolarHBondContact O-CA 3.2Å; R205-L276 HydrophobicContact CB-CB 4.43Å; R205-L276 PolarHBondContact N-O 2.84Å; R205-L276 PolarHBondContact O-N 3.32Å; R205-L278 HydrophobicContact CB-CD1 4.14Å; R205-L278 HydrophobicContact CB-CD2 3.9Å; R205-L278 HydrophobicContact CB-CG 4.11Å
206W98.9Very high98.1Very high4 Ų433.1 Ų33.12%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-120.4147.2180-5768.4000111.5N197 K204 L208 E256 V257 V265 V267 H273 V274 V275N197-W206 HydrophobicContact CB-CH2 3.79Å; N197-W206 HydrophobicContact CB-CZ2 3.93Å; K204-W206 HydrophobicContact CD-CZ2 4.35Å; W206-L208 HydrophobicContact CB-CD1 3.87Å; W206-E256 WeakPolarHBondContact O-CA 3.38Å; W206-V257 HydrophobicContact CB-CB 3.86Å; W206-V257 HydrophobicContact CB-CG2 4.12Å; W206-V257 HydrophobicContact CG-CB 4.12Å; W206-V257 PolarHBondContact N-O 3.16Å; W206-V257 PolarHBondContact O-N 2.87Å; W206-V265 HydrophobicContact CZ2-CB 4.5Å; W206-V265 HydrophobicContact CZ2-CG2 4.35Å; W206-V267 HydrophobicContact CZ3-CG2 4.03Å; W206-H273 HydrophobicContact CE3-CB 4.47Å; W206-H273 AromaticContact CZ3-CD2 3.92Å; W206-V274 WeakPolarHBondContact CA-O 3.4Å; W206-V275 HydrophobicContact CD2-CB 4.43Å; W206-V275 HydrophobicContact CD2-CG1 4.1Å; W206-V275 HydrophobicContact CD2-CG2 3.67Å; W206-V275 HydrophobicContact CE3-CG2 3.36Å; W206-V275 HydrophobicContact CH2-CG1 4.41Å; W206-V275 HydrophobicContact CH2-CG2 3.57Å; W206-V275 HydrophobicContact CZ2-CG1 3.9Å; W206-V275 HydrophobicContact CZ2-CG2 3.88Å; W206-V275 HydrophobicContact CZ3-CG2 3.3Å
207C98.9Very high98Very high0 Ų035.2 Ų35.20%017%0.174CC..EExtended strand (participates in β ladder)trans-125.5136.4153.8-68.40000108.4F209 W235 P254 L255 H273 V274C207-F209 HydrophobicContact CB-CE2 4.04Å; C207-W235 HydrophobicContact CB-CH2 3.68Å; C207-W235 HydrophobicContact CB-CZ3 3.84Å; C207-P254 HydrophobicContact CB-CB 4.07Å; C207-L255 CarbonylContact C-O 3.58Å; C207-L255 WeakPolarHBondContact CA-O 3.4Å; C207-H273 WeakPolarHBondContact O-CA 3.03Å; C207-V274 HydrophobicContact CB-CG1 3.74Å; C207-V274 PolarHBondContact N-O 2.84Å; C207-V274 PolarHBondContact O-N 2.68Å; C207-V274 VanDerWaalsContact O-N 3.07Å
208L98.9Very high97.9Very high1 Ų134.6 Ų34.61%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-126.4143.3177.1-51.285.9000110.9P69 W206 L255 V257 V267 W271 W272 H273P69-L208 HydrophobicContact CB-CD2 4.18Å; P69-L208 HydrophobicContact CG-CD2 4.24Å; W206-L208 HydrophobicContact CB-CD1 3.87Å; L208-L255 HydrophobicContact CB-CB 4.26Å; L208-L255 HydrophobicContact CD1-CD2 4.44Å; L208-L255 PolarHBondContact N-O 3.09Å; L208-L255 PolarHBondContact O-N 3.45Å; L208-V257 HydrophobicContact CD1-CG2 3.82Å; L208-V267 HydrophobicContact CD2-CG1 4.49Å; L208-W271 HydrophobicContact CB-CE3 3.8Å; L208-W271 HydrophobicContact CB-CZ3 4.27Å; L208-W272 CarbonylContact C-O 3.57Å; L208-W272 WeakPolarHBondContact CA-O 3.33Å; L208-H273 HydrophobicContact CD2-CB 4.24Å; L208-H273 HydrophobicContact CG-CB 4Å
209F98.8Very high97.9Very high0 Ų037 Ų370%018%0.181CC..EExtended strand (participates in β ladder)trans-132.6145.6178-55.3-99.2000110.9I186 C207 T213 I218 W235 T243 W248 F252 P254 W271 W272I186-F209 HydrophobicContact CD1-CD2 3.89Å; I186-F209 HydrophobicContact CD1-CE2 3.95Å; C207-F209 HydrophobicContact CB-CE2 4.04Å; F209-T213 HydrophobicContact CB-CG2 4.2Å; F209-T213 WeakPolarHBondContact CB-OG1 3.44Å; F209-T213 HydrophobicContact CD1-CG2 4.34Å; F209-I218 HydrophobicContact CD1-CG2 4.08Å; F209-I218 HydrophobicContact CD2-CG2 4.39Å; F209-I218 HydrophobicContact CE1-CG2 4.01Å; F209-I218 HydrophobicContact CE2-CG2 4.35Å; F209-I218 HydrophobicContact CG-CG2 4.26Å; F209-I218 HydrophobicContact CZ-CG2 4.14Å; F209-W235 AromaticContact CE2-CH2 3.69Å; F209-W235 HydrophobicContact CE2-CH2 3.69Å; F209-W235 AromaticContact CE2-CZ2 3.5Å; F209-W235 HydrophobicContact CE2-CZ2 3.5Å; F209-W235 AromaticContact CZ-CH2 3.81Å; F209-W235 HydrophobicContact CZ-CH2 3.81Å; F209-W235 AromaticContact CZ-CZ2 3.75Å; F209-W235 HydrophobicContact CZ-CZ2 3.75Å; F209-T243 HydrophobicContact CZ-CG2 4.17Å; F209-W248 HydrophobicContact CE1-CZ2 4.06Å; F209-F252 WeakPolarHBondContact CD1-O 3.29Å; F209-F252 WeakPolarHBondContact CE1-O 3.25Å; F209-P254 HydrophobicContact CD1-CB 4.5Å; F209-P254 HydrophobicContact CE1-CB 3.79Å; F209-P254 HydrophobicContact CE1-CG 4.38Å; F209-P254 HydrophobicContact CE2-CB 4.24Å; F209-P254 HydrophobicContact CZ-CB 3.65Å; F209-P254 HydrophobicContact CZ-CG 4.32Å; F209-W271 VanDerWaalsContact C-CE3 3.41Å; F209-W271 WeakPolarHBondContact O-CA 3.18Å; F209-W272 HydrophobicContact CB-CB 4.08Å; F209-W272 HydrophobicContact CD2-CB 4.48Å; F209-W272 PolarHBondContact N-O 2.81Å; F209-W272 PolarHBondContact O-N 3.3Å
210P97.4Very high97.8Very high33 Ų3337.3 Ų37.321%0.21418%0.183CC..  trans-66.8157.9179.929.3-36.1000111.7N212 T213 W271P210-N212 WeakPolarHBondContact CB-OD1 3.5Å; P210-N212 WeakPolarHBondContact CG-OD1 3.3Å; P210-N212 PolarHBondContact O-N 3.04Å; P210-N212 VanDerWaalsContact O-N 3.08Å; P210-T213 WeakPolarHBondContact CD-OG1 3.15Å; P210-T213 VanDerWaalsContact O-CB 3.3Å; P210-T213 WeakPolarHBondContact O-CB 3.45Å; P210-T213 PolarHBondContact O-N 2.93Å; P210-T213 PolarHBondContact O-OG1 3.46Å; P210-W271 HydrophobicContact CB-CH2 4.45Å
211T96.2Very high97.7Very high39 Ų3940.1 Ų40.124%0.23920%0.2CC..THydrogen-bonded Turntrans-60-22.9-173.5-170.60000115.1T213 G270 G337 A339T211-T213 VanDerWaalsContact C-N 3.29Å; T211-G270 WeakPolarHBondContact CA-O 3.28Å; T211-G270 WeakPolarHBondContact CB-O 3.5Å; T211-G270 PolarHBondContact OG1-O 2.96Å; T211-G337 WeakPolarHBondContact CG2-O 3.26Å; T211-A339 WeakPolarHBondContact OG1-CB 3.3Å; T211-A339 PolarHBondContact OG1-N 2.88Å
212N95.4Very high97.5Very high110 Ų11046.6 Ų46.659%0.58822%0.222SC*.THydrogen-bonded Turntrans-86.72.3179.667.1-35.6000113.1P210P210-N212 WeakPolarHBondContact CB-OD1 3.5Å; P210-N212 WeakPolarHBondContact CG-OD1 3.3Å; P210-N212 PolarHBondContact O-N 3.04Å; P210-N212 VanDerWaalsContact O-N 3.08Å
213T97.6Very high97.3Very high6 Ų655.2 Ų55.24%0.03726%0.261CS..SBendtrans-66127.4177.3-53.30000110F209 P210 T211 R215 L217 I218 F252F209-T213 HydrophobicContact CB-CG2 4.2Å; F209-T213 WeakPolarHBondContact CB-OG1 3.44Å; F209-T213 HydrophobicContact CD1-CG2 4.34Å; P210-T213 WeakPolarHBondContact CD-OG1 3.15Å; P210-T213 VanDerWaalsContact O-CB 3.3Å; P210-T213 WeakPolarHBondContact O-CB 3.45Å; P210-T213 PolarHBondContact O-N 2.93Å; P210-T213 PolarHBondContact O-OG1 3.46Å; T211-T213 VanDerWaalsContact C-N 3.29Å; T213-R215 PolarHBondContact O-N 3.28Å; T213-L217 HydrophobicContact CG2-CD2 4.43Å; T213-I218 HydrophobicContact CG2-CD1 3.9Å; T213-I218 HydrophobicContact CG2-CG1 4.32Å; T213-I218 HydrophobicContact CG2-CG2 3.71Å; T213-F252 HydrophobicContact CG2-CB 4.26Å; T213-F252 HydrophobicContact CG2-CD1 4.03Å; T213-F252 HydrophobicContact CG2-CG 4.18Å
214P97.1Very high97.1Very high42 Ų4257 Ų5727%0.27327%0.269SS..  trans-58.2131.2177.6-23.232.7000111.4E216 L217 F252P214-E216 VanDerWaalsContact C-N 3.3Å; P214-E216 HydrophobicContact CB-CG 4.37Å; P214-E216 WeakPolarHBondContact CB-OE1 3.41Å; P214-E216 PolarHBondContact O-N 3.22Å; P214-L217 HydrophobicContact CB-CB 4.29Å; P214-L217 WeakPolarHBondContact O-CB 3.38Å; P214-L217 PolarHBondContact O-N 2.72Å; P214-L217 VanDerWaalsContact O-N 3.13Å; P214-F252 HydrophobicContact CG-CE2 4.28Å; P214-F252 HydrophobicContact CG-CZ 4.43Å
215R95.7Very high96.9Very high154 Ų15457.2 Ų57.258%0.58127%0.271SS*.Hα-helixtrans-62.2-40.6-173.4177.5-177.8166.8-160.5-2.7111.4T213 L217 I218 K219 W272T213-R215 PolarHBondContact O-N 3.28Å; R215-L217 PolarHBondContact O-N 3.07Å; R215-I218 PolarHBondContact O-N 3.06Å; R215-K219 HydrophobicContact CG-CB 4.45Å; R215-K219 HydrophobicContact CG-CG 3.58Å; R215-K219 WeakPolarHBondContact O-CB 3.33Å; R215-K219 WeakPolarHBondContact O-CG 3.48Å; R215-K219 PolarHBondContact O-N 2.85Å; R215-W272 HydrophobicContact CG-CH2 4.49Å
216E95.9Very high96.7Very high156 Ų15658 Ų5873%0.72929%0.285SS*.Hα-helixtrans-62.2-25.1178.563.5-84.6-16200113.3P214P214-E216 VanDerWaalsContact C-N 3.3Å; P214-E216 HydrophobicContact CB-CG 4.37Å; P214-E216 WeakPolarHBondContact CB-OE1 3.41Å; P214-E216 PolarHBondContact O-N 3.22Å
217L97.1Very high96.5Very high46 Ų4662.1 Ų62.124%0.24131%0.308CS..Hα-helixtrans-74.2-30.3177.9-175.162.8000111.8T213 P214 R215 W248 P249 F252T213-L217 HydrophobicContact CG2-CD2 4.43Å; P214-L217 HydrophobicContact CB-CB 4.29Å; P214-L217 WeakPolarHBondContact O-CB 3.38Å; P214-L217 PolarHBondContact O-N 2.72Å; P214-L217 VanDerWaalsContact O-N 3.13Å; R215-L217 PolarHBondContact O-N 3.07Å; L217-W248 HydrophobicContact CD1-CE3 4.34Å; L217-W248 HydrophobicContact CD1-CH2 3.71Å; L217-W248 HydrophobicContact CD1-CZ2 4.23Å; L217-W248 HydrophobicContact CD1-CZ3 3.75Å; L217-W248 HydrophobicContact CD2-CH2 4.14Å; L217-W248 HydrophobicContact CD2-CZ2 3.87Å; L217-W248 HydrophobicContact CG-CH2 3.52Å; L217-W248 HydrophobicContact CG-CZ2 3.78Å; L217-W248 HydrophobicContact CG-CZ3 4.12Å; L217-W248 WeakPolarHBondContact O-CH2 3.38Å; L217-P249 HydrophobicContact CD2-CG 4.25Å; L217-F252 HydrophobicContact CD2-CB 4.03Å; L217-F252 HydrophobicContact CD2-CD2 3.92Å; L217-F252 HydrophobicContact CD2-CG 4.23Å
218I97.8Very high96.3Very high0 Ų062.4 Ų62.40%031%0.309CS..Hα-helixtrans-120.9-4.3-167.760.9171.9000114.4I186 F209 T213 R215 W235 W248 W272I186-I218 HydrophobicContact CD1-CB 3.99Å; I186-I218 HydrophobicContact CD1-CD1 3.91Å; I186-I218 HydrophobicContact CD1-CG1 4.24Å; F209-I218 HydrophobicContact CD1-CG2 4.08Å; F209-I218 HydrophobicContact CD2-CG2 4.39Å; F209-I218 HydrophobicContact CE1-CG2 4.01Å; F209-I218 HydrophobicContact CE2-CG2 4.35Å; F209-I218 HydrophobicContact CG-CG2 4.26Å; F209-I218 HydrophobicContact CZ-CG2 4.14Å; T213-I218 HydrophobicContact CG2-CD1 3.9Å; T213-I218 HydrophobicContact CG2-CG1 4.32Å; T213-I218 HydrophobicContact CG2-CG2 3.71Å; R215-I218 PolarHBondContact O-N 3.06Å; I218-W235 PolarHBondContact O-NE1 2.94Å; I218-W248 HydrophobicContact CG2-CH2 4.37Å; I218-W248 HydrophobicContact CG2-CZ2 4.33Å; I218-W272 HydrophobicContact CD1-CB 3.97Å; I218-W272 HydrophobicContact CD1-CD2 3.63Å; I218-W272 HydrophobicContact CD1-CE3 4.32Å; I218-W272 HydrophobicContact CD1-CG 3.45Å; I218-W272 VanDerWaalsContact CD1-CG 3.45Å
219K97.5Very high96.1Very high49 Ų4965 Ų6521%0.21332%0.321CS..SBendtrans-97.1139.1174.2-69.6-72.3-91.5172.80110.9I186 R215 D230I186-K219 HydrophobicContact CG2-CD 3.57Å; R215-K219 HydrophobicContact CG-CB 4.45Å; R215-K219 HydrophobicContact CG-CG 3.58Å; R215-K219 WeakPolarHBondContact O-CB 3.33Å; R215-K219 WeakPolarHBondContact O-CG 3.48Å; R215-K219 PolarHBondContact O-N 2.85Å; K219-D230 IonicContact NZ-OD1 3.74Å
220V97.3Very high96Very high8 Ų867.4 Ų67.45%0.04833%0.334CS..PPolyproline II helixtrans-70.6132.5170.7-178.60000108.6E224 Q229 T234 W235 V238 V239V220-E224 HydrophobicContact CG1-CB 3.91Å; V220-Q229 HydrophobicContact CB-CG 4.3Å; V220-Q229 HydrophobicContact CG1-CG 4.29Å; V220-Q229 WeakPolarHBondContact O-CG 3.21Å; V220-Q229 PolarHBondContact O-NE2 2.57Å; V220-T234 HydrophobicContact CG1-CG2 4.12Å; V220-T234 HydrophobicContact CG2-CG2 4.43Å; V220-W235 HydrophobicContact CG2-CB 4.42Å; V220-V238 HydrophobicContact CG1-CG1 4.48Å; V220-V238 HydrophobicContact CG2-CB 4.44Å; V220-V239 HydrophobicContact CG2-CG2 3.76Å
221T96.6Very high96Very high65 Ų6566.4 Ų66.440%0.39933%0.326SS..PPolyproline II helixtrans-76.8162.817674.80000111.1E223 E224 G225T221-E223 PolarHBondContact O-N 3.48Å; T221-E224 PolarHBondContact N-OE2 3.24Å; T221-E224 PolarHBondContact O-N 3.3Å; T221-E224 VanDerWaalsContact OG1-CG 3.3Å; T221-E224 WeakPolarHBondContact OG1-CG 3.47Å; T221-E224 PolarHBondContact OG1-N 3.07Å; T221-E224 PolarHBondContact OG1-OE2 2.83Å; T221-G225 PolarHBondContact O-N 3.47Å
222R94.3Very high96.1Very high201 Ų20164.6 Ų64.676%0.75832%0.315SS*.Hα-helixtrans-62.6-33.4176.8-172.2177.5179.8-169.6-0.3112.2G226R222-G226 WeakPolarHBondContact O-CA 3.26Å; R222-G226 PolarHBondContact O-N 3.42Å
223E95.4Very high96.3Very high189 Ų18959.4 Ų59.488%0.88329%0.287SS*.Hα-helixtrans-67.5-40.8178.9-64.6177.5179.400111.6T221T221-E223 PolarHBondContact O-N 3.48Å
224E95.4Very high96.3Very high74 Ų7459.2 Ų59.235%0.34629%0.286SS..Hα-helixtrans-75.9-39.8179.4-66.1169.8151.600112.4V220 T221 V238 R242V220-E224 HydrophobicContact CG1-CB 3.91Å; T221-E224 PolarHBondContact N-OE2 3.24Å; T221-E224 PolarHBondContact O-N 3.3Å; T221-E224 VanDerWaalsContact OG1-CG 3.3Å; T221-E224 WeakPolarHBondContact OG1-CG 3.47Å; T221-E224 PolarHBondContact OG1-N 3.07Å; T221-E224 PolarHBondContact OG1-OE2 2.83Å; E224-V238 HydrophobicContact CB-CG1 4.15Å; E224-V238 HydrophobicContact CG-CG1 4.43Å; E224-R242 IonicContact OE1-CZ 3.94Å; E224-R242 VanDerWaalsContact OE1-CZ 3.23Å; E224-R242 IonicContact OE1-NH1 3.69Å; E224-R242 PolarHBondContact OE1-NH1 2.81Å; E224-R242 IonicContact OE1-NH2 2.64Å; E224-R242 PolarHBondContact OE1-NH2 2.96Å; E224-R242 IonicContact OE2-NH1 3.35Å; E224-R242 IonicContact OE2-NH2 3.85Å
225G93.5Very high96.4Very high4 Ų457.4 Ų57.44%0.04127%0.274CS..Hα-helixtrans-95.8-25.7-170.100000115.5T221 N227 Q228 Q229T221-G225 PolarHBondContact O-N 3.47Å; G225-N227 PolarHBondContact O-N 3.07Å; G225-Q228 CarbonylContact O-C 3.43Å; G225-Q228 PolarHBondContact O-N 3.14Å; G225-Q229 PolarHBondContact O-N 3.49Å
226G95.4Very high96.5Very high36 Ų3650.4 Ų50.437%0.37125%0.248SC..G310 helixtrans50.1-130.5-174.600000112.6R222 Q228 Q229R222-G226 WeakPolarHBondContact O-CA 3.26Å; R222-G226 PolarHBondContact O-N 3.42Å; G226-Q228 PolarHBondContact O-N 3.16Å; G226-Q229 PolarHBondContact O-N 3.23Å
227N93.8Very high96.7Very high92 Ų9244.8 Ų44.849%0.49223%0.226SC..G310 helixtrans-75-2.5178.9-63.2-10000113.6R17 E19 L20 G225R17-N227 PolarHBondContact NH2-O 3.49Å; E19-N227 HydrophobicContact CG-CB 4.08Å; L20-N227 HydrophobicContact CD2-CB 3.94Å; G225-N227 PolarHBondContact O-N 3.07Å
228Q94.6Very high96.7Very high6 Ų643.9 Ų43.93%0.02822%0.222CC..G310 helixtrans-117.421.2178.7-60.2-73.625.200111.7G225 G226 D230 E231 T234G225-Q228 CarbonylContact O-C 3.43Å; G225-Q228 PolarHBondContact O-N 3.14Å; G226-Q228 PolarHBondContact O-N 3.16Å; Q228-D230 VanDerWaalsContact C-N 3.34Å; Q228-D230 PolarHBondContact O-N 3.3Å; Q228-E231 HydrophobicContact CB-CG 4.04Å; Q228-E231 WeakPolarHBondContact O-CB 3.46Å; Q228-E231 WeakPolarHBondContact O-CG 3.04Å; Q228-E231 PolarHBondContact O-N 3.34Å; Q228-E231 VanDerWaalsContact OE1-CG 3.25Å; Q228-T234 WeakPolarHBondContact O-CB 3.36Å; Q228-T234 WeakPolarHBondContact O-CG2 3.36Å; Q228-T234 PolarHBondContact O-OG1 2.9Å
229Q95.3Very high96.7Very high54 Ų5444 Ų4425%0.25222%0.223SC..THydrogen-bonded Turntrans-53.9-44-171.7-179.1-177.9-2.300114.2V220 G225 G226V220-Q229 HydrophobicContact CB-CG 4.3Å; V220-Q229 HydrophobicContact CG1-CG 4.29Å; V220-Q229 WeakPolarHBondContact O-CG 3.21Å; V220-Q229 PolarHBondContact O-NE2 2.57Å; G225-Q229 PolarHBondContact O-N 3.49Å; G226-Q229 PolarHBondContact O-N 3.23Å
230D96.1Very high96.8Very high52 Ų5242.8 Ų42.828%0.27822%0.217SC..THydrogen-bonded Turntrans-93.610-173.7-64.4-54.3000113.7G185 K219 Q228G185-D230 VanDerWaalsContact CA-O 3.26Å; G185-D230 WeakPolarHBondContact CA-O 3.4Å; K219-D230 IonicContact NZ-OD1 3.74Å; Q228-D230 VanDerWaalsContact C-N 3.34Å; Q228-D230 PolarHBondContact O-N 3.3Å
231E98.4Very high96.8Very high12 Ų1245.2 Ų45.26%0.05623%0.233CC..  trans-79.9143.2-179.8-58.2-58.7146.800112.5R17 S128 Q228 V233 T234 W235 S349R17-E231 IonicContact CZ-OE1 3.53Å; R17-E231 IonicContact NH1-OE1 3.23Å; R17-E231 PolarHBondContact NH1-OE1 2.76Å; R17-E231 IonicContact NH2-OE1 3.89Å; S128-E231 VanDerWaalsContact CB-OE2 3.31Å; S128-E231 WeakPolarHBondContact CB-OE2 3.49Å; S128-E231 PolarHBondContact OG-OE2 3.2Å; Q228-E231 HydrophobicContact CB-CG 4.04Å; Q228-E231 WeakPolarHBondContact O-CB 3.46Å; Q228-E231 WeakPolarHBondContact O-CG 3.04Å; Q228-E231 PolarHBondContact O-N 3.34Å; Q228-E231 VanDerWaalsContact OE1-CG 3.25Å; E231-V233 HydrophobicContact CB-CG1 4.24Å; E231-V233 PolarHBondContact O-N 3.28Å; E231-T234 WeakPolarHBondContact O-CB 3.44Å; E231-T234 PolarHBondContact O-N 2.62Å; E231-W235 PolarHBondContact O-N 2.84Å; E231-S349 WeakPolarHBondContact OE1-CB 3.39Å; E231-S349 PolarHBondContact OE1-OG 3.34Å
232A98.6Very high96.9Very high0 Ų046.2 Ų46.20%023%0.23CC..Hα-helixtrans-58.6-45.617700000112.3T234 W235 F236 V274 V275 L276A232-T234 VanDerWaalsContact C-N 3.27Å; A232-T234 PolarHBondContact O-N 2.92Å; A232-W235 WeakPolarHBondContact O-CB 3.33Å; A232-W235 PolarHBondContact O-N 3.04Å; A232-W235 VanDerWaalsContact O-N 3.13Å; A232-F236 VanDerWaalsContact O-CD2 3.3Å; A232-F236 WeakPolarHBondContact O-CD2 3.43Å; A232-F236 PolarHBondContact O-N 3.05Å; A232-V274 HydrophobicContact CB-CG2 4.17Å; A232-V275 VanDerWaalsContact CB-O 3.23Å; A232-V275 WeakPolarHBondContact CB-O 3.47Å; A232-L276 HydrophobicContact CB-CD1 4.11Å
233V98.5Very high97.1Very high1 Ų137 Ų371%0.00620%0.195CC..Hα-helixtrans-61.1-36.7179.3670000111.8Y31 F35 R181 E231 F236 S237 L276Y31-V233 HydrophobicContact CD2-CB 4.39Å; Y31-V233 HydrophobicContact CD2-CG1 3.92Å; Y31-V233 HydrophobicContact CD2-CG2 3.55Å; Y31-V233 HydrophobicContact CE2-CG1 3.97Å; Y31-V233 HydrophobicContact CE2-CG2 3.93Å; Y31-V233 HydrophobicContact CG-CG2 4.02Å; F35-V233 HydrophobicContact CD1-CG2 4.24Å; F35-V233 HydrophobicContact CD2-CG2 4.01Å; F35-V233 HydrophobicContact CE1-CG2 4.31Å; F35-V233 HydrophobicContact CE2-CG2 4.06Å; F35-V233 HydrophobicContact CG-CG2 4.1Å; F35-V233 HydrophobicContact CZ-CG2 4.21Å; R181-V233 HydrophobicContact CB-CG2 4.45Å; E231-V233 HydrophobicContact CB-CG1 4.24Å; E231-V233 PolarHBondContact O-N 3.28Å; V233-F236 PolarHBondContact O-N 2.86Å; V233-S237 WeakPolarHBondContact O-CB 3.15Å; V233-S237 PolarHBondContact O-N 2.6Å; V233-S237 PolarHBondContact O-OG 2.86Å; V233-L276 HydrophobicContact CB-CD1 4Å
234T98.6Very high97.2Very high3 Ų331.2 Ų31.22%0.01817%0.168CC..Hα-helixtrans-66.1-43.4174.3-54.70000111.1V220 Q228 E231 A232 F236 S237 V238V220-T234 HydrophobicContact CG1-CG2 4.12Å; V220-T234 HydrophobicContact CG2-CG2 4.43Å; Q228-T234 WeakPolarHBondContact O-CB 3.36Å; Q228-T234 WeakPolarHBondContact O-CG2 3.36Å; Q228-T234 PolarHBondContact O-OG1 2.9Å; E231-T234 WeakPolarHBondContact O-CB 3.44Å; E231-T234 PolarHBondContact O-N 2.62Å; A232-T234 VanDerWaalsContact C-N 3.27Å; A232-T234 PolarHBondContact O-N 2.92Å; T234-F236 VanDerWaalsContact C-N 3.34Å; T234-F236 PolarHBondContact O-N 3.12Å; T234-S237 PolarHBondContact O-N 3.43Å; T234-S237 PolarHBondContact O-OG 3.47Å; T234-V238 HydrophobicContact CG2-CG2 4.19Å; T234-V238 WeakPolarHBondContact O-CB 3.45Å; T234-V238 WeakPolarHBondContact O-CG2 3.35Å; T234-V238 PolarHBondContact O-N 2.95Å
235W98.8Very high97.3Very high4 Ų432.6 Ų32.62%0.01518%0.175CC..Hα-helixtrans-60.6-44.3176.2-171.194.4000111.9I186 C207 F209 I218 V220 E231 A232 S237 V238 V239 Y240 V274I186-W235 HydrophobicContact CD1-CZ2 3.92Å; C207-W235 HydrophobicContact CB-CH2 3.68Å; C207-W235 HydrophobicContact CB-CZ3 3.84Å; F209-W235 AromaticContact CE2-CH2 3.69Å; F209-W235 HydrophobicContact CE2-CH2 3.69Å; F209-W235 AromaticContact CE2-CZ2 3.5Å; F209-W235 HydrophobicContact CE2-CZ2 3.5Å; F209-W235 AromaticContact CZ-CH2 3.81Å; F209-W235 HydrophobicContact CZ-CH2 3.81Å; F209-W235 AromaticContact CZ-CZ2 3.75Å; F209-W235 HydrophobicContact CZ-CZ2 3.75Å; I218-W235 PolarHBondContact O-NE1 2.94Å; V220-W235 HydrophobicContact CG2-CB 4.42Å; E231-W235 PolarHBondContact O-N 2.84Å; A232-W235 WeakPolarHBondContact O-CB 3.33Å; A232-W235 PolarHBondContact O-N 3.04Å; A232-W235 VanDerWaalsContact O-N 3.13Å; W235-S237 VanDerWaalsContact C-N 3.32Å; W235-S237 PolarHBondContact O-N 2.74Å; W235-V238 PolarHBondContact O-N 3.17Å; W235-V239 HydrophobicContact CD2-CB 4.06Å; W235-V239 HydrophobicContact CD2-CG1 4.47Å; W235-V239 HydrophobicContact CG-CB 4.28Å; W235-V239 HydrophobicContact CG-CG2 4.43Å; W235-V239 HydrophobicContact CH2-CG1 4.39Å; W235-V239 HydrophobicContact CZ2-CB 4.08Å; W235-V239 HydrophobicContact CZ2-CG1 3.59Å; W235-V239 WeakPolarHBondContact O-CB 3.33Å; W235-V239 PolarHBondContact O-N 2.87Å; W235-Y240 HydrophobicContact CZ3-CD2 4.22Å; W235-Y240 PolarHBondContact O-N 3.29Å; W235-Y240 VanDerWaalsContact O-N 3.17Å; W235-V274 HydrophobicContact CB-CG2 4.13Å; W235-V274 HydrophobicContact CD2-CB 4.33Å; W235-V274 HydrophobicContact CD2-CG1 3.83Å; W235-V274 HydrophobicContact CD2-CG2 4.12Å; W235-V274 HydrophobicContact CE3-CB 4.37Å; W235-V274 HydrophobicContact CE3-CG1 3.53Å; W235-V274 HydrophobicContact CE3-CG2 4.12Å; W235-V274 HydrophobicContact CG-CG2 4.11Å; W235-V274 HydrophobicContact CH2-CG1 3.98Å; W235-V274 HydrophobicContact CZ2-CG1 4.24Å; W235-V274 HydrophobicContact CZ3-CG1 3.6Å
236F98.7Very high97.4Very high6 Ų640.7 Ų40.73%0.02621%0.211CC..Hα-helixtrans-70.4-24177.2-81.5-76.8000113.6F35 R205 A232 V233 T234 Y240 V274 L276F35-F236 HydrophobicContact CE2-CB 4.29Å; F35-F236 HydrophobicContact CZ-CB 3.79Å; R205-F236 HydrophobicContact CB-CZ 4.42Å; R205-F236 HydrophobicContact CG-CE1 3.81Å; R205-F236 HydrophobicContact CG-CZ 3.79Å; A232-F236 VanDerWaalsContact O-CD2 3.3Å; A232-F236 WeakPolarHBondContact O-CD2 3.43Å; A232-F236 PolarHBondContact O-N 3.05Å; V233-F236 PolarHBondContact O-N 2.86Å; T234-F236 VanDerWaalsContact C-N 3.34Å; T234-F236 PolarHBondContact O-N 3.12Å; F236-Y240 HydrophobicContact CD1-CD2 4.15Å; F236-Y240 AromaticContact CD1-CG 3.97Å; F236-Y240 HydrophobicContact CD1-CG 3.97Å; F236-Y240 HydrophobicContact CE1-CD2 4.21Å; F236-Y240 HydrophobicContact CE1-CG 4.47Å; F236-Y240 WeakPolarHBondContact O-CB 3.1Å; F236-V274 HydrophobicContact CD2-CG2 4.38Å; F236-V274 HydrophobicContact CE2-CG1 4.18Å; F236-V274 HydrophobicContact CE2-CG2 3.95Å; F236-V274 HydrophobicContact CZ-CG1 4.17Å; F236-L276 HydrophobicContact CD2-CB 3.66Å; F236-L276 HydrophobicContact CD2-CD2 3.99Å; F236-L276 HydrophobicContact CD2-CG 4.31Å; F236-L276 HydrophobicContact CE2-CB 3.49Å; F236-L276 VanDerWaalsContact CE2-CB 3.49Å; F236-L276 HydrophobicContact CG-CD2 4.3Å; F236-L276 HydrophobicContact CZ-CB 4.37Å
237S98.3Very high97.5Very high39 Ų3943.4 Ų43.427%0.27322%0.221SC..Hα-helixtrans-83.8-30.7174.869.60000113.1Y31 V233 T234 W235Y31-S237 PolarHBondContact OH-OG 3.3Å; V233-S237 WeakPolarHBondContact O-CB 3.15Å; V233-S237 PolarHBondContact O-N 2.6Å; V233-S237 PolarHBondContact O-OG 2.86Å; T234-S237 PolarHBondContact O-N 3.43Å; T234-S237 PolarHBondContact O-OG 3.47Å; W235-S237 VanDerWaalsContact C-N 3.32Å; W235-S237 PolarHBondContact O-N 2.74Å
238V98.1Very high97.7Very high27 Ų2739.7 Ų39.716%0.16420%0.2CC..Hα-helixtrans-100.7-54.1-173.4177.10000112.7V220 E224 T234 W235 R242V220-V238 HydrophobicContact CG1-CG1 4.48Å; V220-V238 HydrophobicContact CG2-CB 4.44Å; E224-V238 HydrophobicContact CB-CG1 4.15Å; E224-V238 HydrophobicContact CG-CG1 4.43Å; T234-V238 HydrophobicContact CG2-CG2 4.19Å; T234-V238 WeakPolarHBondContact O-CB 3.45Å; T234-V238 WeakPolarHBondContact O-CG2 3.35Å; T234-V238 PolarHBondContact O-N 2.95Å; W235-V238 PolarHBondContact O-N 3.17Å; V238-R242 VanDerWaalsContact CG1-NH2 3.3Å; V238-R242 PolarHBondContact O-NE 3.31Å
239V98.6Very high97.8Very high1 Ų141.7 Ų41.71%0.00621%0.213CC..THydrogen-bonded Turntrans-89-46.4-169.7179.90000110.9V220 W235 P241 R242 T243V220-V239 HydrophobicContact CG2-CG2 3.76Å; W235-V239 HydrophobicContact CD2-CB 4.06Å; W235-V239 HydrophobicContact CD2-CG1 4.47Å; W235-V239 HydrophobicContact CG-CB 4.28Å; W235-V239 HydrophobicContact CG-CG2 4.43Å; W235-V239 HydrophobicContact CH2-CG1 4.39Å; W235-V239 HydrophobicContact CZ2-CB 4.08Å; W235-V239 HydrophobicContact CZ2-CG1 3.59Å; W235-V239 WeakPolarHBondContact O-CB 3.33Å; W235-V239 PolarHBondContact O-N 2.87Å; V239-P241 VanDerWaalsContact C-CD 3.48Å; V239-P241 VanDerWaalsContact C-N 3.35Å; V239-R242 WeakPolarHBondContact O-CA 3.34Å; V239-R242 VanDerWaalsContact O-CB 3.25Å; V239-R242 WeakPolarHBondContact O-CB 3.23Å; V239-R242 PolarHBondContact O-N 3.15Å; V239-T243 PolarHBondContact O-N 3.3Å
240Y98.4Very high97.9Very high24 Ų2443.7 Ų43.79%0.09423%0.231CC..Hα-helixtrans-51.9-44.8-176.9178.9-97.4000113.6R205 W235 F236 R242 T243 Q244 E256R205-Y240 PolarHBondContact NH2-OH 2.82Å; W235-Y240 HydrophobicContact CZ3-CD2 4.22Å; W235-Y240 PolarHBondContact O-N 3.29Å; W235-Y240 VanDerWaalsContact O-N 3.17Å; F236-Y240 HydrophobicContact CD1-CD2 4.15Å; F236-Y240 AromaticContact CD1-CG 3.97Å; F236-Y240 HydrophobicContact CD1-CG 3.97Å; F236-Y240 HydrophobicContact CE1-CD2 4.21Å; F236-Y240 HydrophobicContact CE1-CG 4.47Å; F236-Y240 WeakPolarHBondContact O-CB 3.1Å; Y240-R242 PolarHBondContact O-N 3.24Å; Y240-R242 VanDerWaalsContact O-N 3.17Å; Y240-T243 WeakPolarHBondContact O-CB 3.18Å; Y240-T243 PolarHBondContact O-N 3.03Å; Y240-T243 PolarHBondContact O-OG1 3.42Å; Y240-Q244 HydrophobicContact CD1-CG 4.35Å; Y240-Q244 HydrophobicContact CE1-CG 3.83Å; Y240-Q244 VanDerWaalsContact CZ-NE2 3.32Å; Y240-Q244 PolarHBondContact OH-NE2 3.29Å; Y240-E256 WeakPolarHBondContact CE2-OE2 3.43Å; Y240-E256 VanDerWaalsContact CZ-OE2 3.3Å; Y240-E256 PolarHBondContact OH-OE2 2.79Å
241P98.1Very high97.8Very high60 Ų6048 Ų4839%0.3925%0.254SS..Hα-helixtrans-58.6-31.4178-25.736.6000113.9V239 T243 Q244V239-P241 VanDerWaalsContact C-CD 3.48Å; V239-P241 VanDerWaalsContact C-N 3.35Å; P241-T243 VanDerWaalsContact C-N 3.35Å; P241-Q244 PolarHBondContact O-N 3.21Å
242R98.3Very high97.8Very high86 Ų8649.2 Ų49.233%0.32526%0.259SS..Hα-helixtrans-66.1-38.8176.3-54171.3-168.8-172.7-10.3111E224 V238 V239 Y240 Q244 Q245 W248E224-R242 IonicContact OE1-CZ 3.94Å; E224-R242 VanDerWaalsContact OE1-CZ 3.23Å; E224-R242 IonicContact OE1-NH1 3.69Å; E224-R242 PolarHBondContact OE1-NH1 2.81Å; E224-R242 IonicContact OE1-NH2 2.64Å; E224-R242 PolarHBondContact OE1-NH2 2.96Å; E224-R242 IonicContact OE2-NH1 3.35Å; E224-R242 IonicContact OE2-NH2 3.85Å; V238-R242 VanDerWaalsContact CG1-NH2 3.3Å; V238-R242 PolarHBondContact O-NE 3.31Å; V239-R242 WeakPolarHBondContact O-CA 3.34Å; V239-R242 VanDerWaalsContact O-CB 3.25Å; V239-R242 WeakPolarHBondContact O-CB 3.23Å; V239-R242 PolarHBondContact O-N 3.15Å; Y240-R242 PolarHBondContact O-N 3.24Å; Y240-R242 VanDerWaalsContact O-N 3.17Å; R242-Q244 PolarHBondContact O-N 2.91Å; R242-Q244 VanDerWaalsContact O-N 3.12Å; R242-Q245 WeakPolarHBondContact O-CB 3.38Å; R242-Q245 PolarHBondContact O-N 3.27Å; R242-W248 HydrophobicContact CB-CE3 4.01Å; R242-W248 HydrophobicContact CB-CZ3 3.78Å
243T98.1Very high97.7Very high6 Ų656.4 Ų56.44%0.03729%0.287CS..Hα-helixtrans-61.6-21.3177.975.90000113.6F209 V239 Y240 P241 W248 P254F209-T243 HydrophobicContact CZ-CG2 4.17Å; V239-T243 PolarHBondContact O-N 3.3Å; Y240-T243 WeakPolarHBondContact O-CB 3.18Å; Y240-T243 PolarHBondContact O-N 3.03Å; Y240-T243 PolarHBondContact O-OG1 3.42Å; P241-T243 VanDerWaalsContact C-N 3.35Å; T243-W248 HydrophobicContact CG2-CD2 4.34Å; T243-W248 HydrophobicContact CG2-CE3 4.38Å; T243-W248 HydrophobicContact CG2-CH2 3.79Å; T243-W248 HydrophobicContact CG2-CZ2 3.76Å; T243-W248 HydrophobicContact CG2-CZ3 4.12Å; T243-P254 HydrophobicContact CG2-CG 4.4Å
244Q97.2Very high97.7Very high68 Ų6856.7 Ų56.732%0.31829%0.288SS..THydrogen-bonded Turntrans-92.3-6.3-178.5-53.3-59.1-5400112.5Y240 P241 R242 E256Y240-Q244 HydrophobicContact CD1-CG 4.35Å; Y240-Q244 HydrophobicContact CE1-CG 3.83Å; Y240-Q244 VanDerWaalsContact CZ-NE2 3.32Å; Y240-Q244 PolarHBondContact OH-NE2 3.29Å; P241-Q244 PolarHBondContact O-N 3.21Å; R242-Q244 PolarHBondContact O-N 2.91Å; R242-Q244 VanDerWaalsContact O-N 3.12Å; Q244-E256 PolarHBondContact NE2-OE1 3.01Å
245Q97.8Very high97.7Very high103 Ų10358.2 Ų58.248%0.48130%0.296SS..SBendtrans-77.5149.6177.7-61.4179.5-4.500111.1R242 T247 W248R242-Q245 WeakPolarHBondContact O-CB 3.38Å; R242-Q245 PolarHBondContact O-N 3.27Å; Q245-T247 PolarHBondContact O-N 3.46Å; Q245-T247 PolarHBondContact OE1-OG1 3.19Å; Q245-W248 VanDerWaalsContact O-CB 3.31Å; Q245-W248 WeakPolarHBondContact O-CB 3.33Å; Q245-W248 PolarHBondContact O-N 2.88Å; Q245-W248 VanDerWaalsContact O-N 3.11Å
246H96.2Very high97.7Very high175 Ų17558.5 Ų58.581%0.8130%0.297SS*.THydrogen-bonded Turntrans-65.3-22.8177.367.1-86.7000113.2W248H246-W248 VanDerWaalsContact C-N 3.26Å
247T97.4Very high97.7Very high93 Ų9358.2 Ų58.257%0.57130%0.297SS*.THydrogen-bonded Turntrans-76.5-10.517648.70000113.2Q245Q245-T247 PolarHBondContact O-N 3.46Å; Q245-T247 PolarHBondContact OE1-OG1 3.19Å
248W98Very high97.7Very high13 Ų1356.8 Ų56.85%0.04929%0.286CS..SBendtrans-66.2132.9179.5-171.2-94.3000111F209 L217 I218 R242 T243 Q245 H246 P250 F252F209-W248 HydrophobicContact CE1-CZ2 4.06Å; L217-W248 HydrophobicContact CD1-CE3 4.34Å; L217-W248 HydrophobicContact CD1-CH2 3.71Å; L217-W248 HydrophobicContact CD1-CZ2 4.23Å; L217-W248 HydrophobicContact CD1-CZ3 3.75Å; L217-W248 HydrophobicContact CD2-CH2 4.14Å; L217-W248 HydrophobicContact CD2-CZ2 3.87Å; L217-W248 HydrophobicContact CG-CH2 3.52Å; L217-W248 HydrophobicContact CG-CZ2 3.78Å; L217-W248 HydrophobicContact CG-CZ3 4.12Å; L217-W248 WeakPolarHBondContact O-CH2 3.38Å; I218-W248 HydrophobicContact CG2-CH2 4.37Å; I218-W248 HydrophobicContact CG2-CZ2 4.33Å; R242-W248 HydrophobicContact CB-CE3 4.01Å; R242-W248 HydrophobicContact CB-CZ3 3.78Å; T243-W248 HydrophobicContact CG2-CD2 4.34Å; T243-W248 HydrophobicContact CG2-CE3 4.38Å; T243-W248 HydrophobicContact CG2-CH2 3.79Å; T243-W248 HydrophobicContact CG2-CZ2 3.76Å; T243-W248 HydrophobicContact CG2-CZ3 4.12Å; Q245-W248 VanDerWaalsContact O-CB 3.31Å; Q245-W248 WeakPolarHBondContact O-CB 3.33Å; Q245-W248 PolarHBondContact O-N 2.88Å; Q245-W248 VanDerWaalsContact O-N 3.11Å; H246-W248 VanDerWaalsContact C-N 3.26Å; W248-P250 WeakPolarHBondContact O-CD 3.15Å; W248-F252 VanDerWaalsContact NE1-C 3.33Å; W248-F252 PolarHBondContact NE1-O 2.71Å
249P97.5Very high97.8Very high48 Ų4855.5 Ų55.531%0.31228%0.278SS..  trans-54.7122179.2-27.235.4000111.9L217 D251 F252L217-P249 HydrophobicContact CD2-CG 4.25Å; P249-D251 VanDerWaalsContact C-N 3.27Å; P249-D251 PolarHBondContact O-N 3.29Å; P249-F252 HydrophobicContact CB-CB 4.49Å; P249-F252 HydrophobicContact CB-CD2 3.8Å; P249-F252 HydrophobicContact CG-CD2 4.41Å; P249-F252 PolarHBondContact O-N 2.77Å; P249-F252 VanDerWaalsContact O-N 3.1Å
250P95.5Very high97.8Very high96 Ų9660.5 Ų60.562%0.62330%0.296SS*.G310 helixtrans-57.2-38.3-176.2-28.436.1000113.9W248 F252 R253W248-P250 WeakPolarHBondContact O-CD 3.15Å; P250-F252 PolarHBondContact O-N 3.02Å; P250-R253 PolarHBondContact O-N 3.28Å
251D95.3Very high97.8Very high142 Ų14262.4 Ų62.476%0.75931%0.312SS*.G310 helixtrans-67.7-16.7-178.3-61.7-24.3000113.5P249P249-D251 VanDerWaalsContact C-N 3.27Å; P249-D251 PolarHBondContact O-N 3.29Å
252F97.1Very high97.8Very high38 Ų3860.7 Ų60.717%0.16731%0.305CS..G310 helixtrans-116.221.9-179.2-55.9-55000112.5F209 T213 P214 L217 W248 P249 P250F209-F252 WeakPolarHBondContact CD1-O 3.29Å; F209-F252 WeakPolarHBondContact CE1-O 3.25Å; T213-F252 HydrophobicContact CG2-CB 4.26Å; T213-F252 HydrophobicContact CG2-CD1 4.03Å; T213-F252 HydrophobicContact CG2-CG 4.18Å; P214-F252 HydrophobicContact CG-CE2 4.28Å; P214-F252 HydrophobicContact CG-CZ 4.43Å; L217-F252 HydrophobicContact CD2-CB 4.03Å; L217-F252 HydrophobicContact CD2-CD2 3.92Å; L217-F252 HydrophobicContact CD2-CG 4.23Å; W248-F252 VanDerWaalsContact NE1-C 3.33Å; W248-F252 PolarHBondContact NE1-O 2.71Å; P249-F252 HydrophobicContact CB-CB 4.49Å; P249-F252 HydrophobicContact CB-CD2 3.8Å; P249-F252 HydrophobicContact CG-CD2 4.41Å; P249-F252 PolarHBondContact O-N 2.77Å; P249-F252 VanDerWaalsContact O-N 3.1Å; P250-F252 PolarHBondContact O-N 3.02Å
253R97.6Very high97.8Very high152 Ų15257.3 Ų57.357%0.57429%0.293SS*.PPolyproline II helixtrans-62.1137.4171.6-76.9-174.5177.5-173.31.9110.4P250P250-R253 PolarHBondContact O-N 3.28Å
254P98.2Very high97.9Very high6 Ų657 Ų574%0.03929%0.291CS..PPolyproline II helixtrans-66142.6-178.225.6-32.8000111.4N45 C207 F209 T243 E256N45-P254 PolarHBondContact ND2-O 3.27Å; C207-P254 HydrophobicContact CB-CB 4.07Å; F209-P254 HydrophobicContact CD1-CB 4.5Å; F209-P254 HydrophobicContact CE1-CB 3.79Å; F209-P254 HydrophobicContact CE1-CG 4.38Å; F209-P254 HydrophobicContact CE2-CB 4.24Å; F209-P254 HydrophobicContact CZ-CB 3.65Å; F209-P254 HydrophobicContact CZ-CG 4.32Å; T243-P254 HydrophobicContact CG2-CG 4.4Å; P254-E256 HydrophobicContact CB-CG 4.17Å; P254-E256 HydrophobicContact CG-CG 4.1Å
255L98.6Very high98Very high36 Ų3653.9 Ų53.919%0.18828%0.277CS..EExtended strand (participates in β ladder)trans-77121.2154.8-170.374.3000107.5N45 V46 P69 C207 L208N45-L255 WeakPolarHBondContact OD1-CA 3.45Å; N45-L255 WeakPolarHBondContact OD1-CD1 3.47Å; V46-L255 HydrophobicContact CB-CD1 4.17Å; V46-L255 HydrophobicContact CB-CD2 4.34Å; V46-L255 HydrophobicContact CB-CG 4.2Å; V46-L255 HydrophobicContact CG2-CD1 4.43Å; V46-L255 HydrophobicContact CG2-CD2 3.93Å; V46-L255 HydrophobicContact CG2-CG 4.34Å; P69-L255 HydrophobicContact CB-CD2 3.68Å; P69-L255 HydrophobicContact CG-CD2 3.83Å; C207-L255 CarbonylContact C-O 3.58Å; C207-L255 WeakPolarHBondContact CA-O 3.4Å; L208-L255 HydrophobicContact CB-CB 4.26Å; L208-L255 HydrophobicContact CD1-CD2 4.44Å; L208-L255 PolarHBondContact N-O 3.09Å; L208-L255 PolarHBondContact O-N 3.45Å
256E98.8Very high98Very high9 Ų949 Ų494%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-109.2135.5-176.2-60.3-172.2-120.800110.4K43 D44 N45 W206 Y240 Q244 P254K43-E256 WeakPolarHBondContact O-CB 3.43Å; D44-E256 WeakPolarHBondContact CA-O 3.35Å; N45-E256 PolarHBondContact N-O 3.03Å; N45-E256 PolarHBondContact OD1-N 2.94Å; N45-E256 PolarHBondContact OD1-O 3.26Å; W206-E256 WeakPolarHBondContact O-CA 3.38Å; Y240-E256 WeakPolarHBondContact CE2-OE2 3.43Å; Y240-E256 VanDerWaalsContact CZ-OE2 3.3Å; Y240-E256 PolarHBondContact OH-OE2 2.79Å; Q244-E256 PolarHBondContact NE2-OE1 3.01Å; P254-E256 HydrophobicContact CB-CG 4.17Å; P254-E256 HydrophobicContact CG-CG 4.1Å
257V98.9Very high98.1Very high1 Ų140.8 Ų40.81%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-131.9125.9179.2-167.40000110.2V46 V71 R205 W206 L208 Q259 V265V46-V257 HydrophobicContact CB-CG2 3.87Å; V46-V257 HydrophobicContact CG1-CB 4.03Å; V46-V257 HydrophobicContact CG1-CG1 3.68Å; V46-V257 HydrophobicContact CG1-CG2 3.53Å; V46-V257 HydrophobicContact CG2-CG2 4.33Å; V71-V257 HydrophobicContact CG2-CG1 3.67Å; R205-V257 CarbonylContact C-O 3.58Å; R205-V257 WeakPolarHBondContact CA-O 3.04Å; W206-V257 HydrophobicContact CB-CB 3.86Å; W206-V257 HydrophobicContact CB-CG2 4.12Å; W206-V257 HydrophobicContact CG-CB 4.12Å; W206-V257 PolarHBondContact N-O 3.16Å; W206-V257 PolarHBondContact O-N 2.87Å; L208-V257 HydrophobicContact CD1-CG2 3.82Å; V257-Q259 HydrophobicContact CG1-CB 4.41Å; V257-V265 HydrophobicContact CG1-CG2 4.46Å
258L98.9Very high98.2Very high8 Ų836.4 Ų36.44%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-94.396.1157.5177.561.3000108.2H39 V42 D44 R48 H203 L278H39-L258 HydrophobicContact CB-CD1 3.88Å; H39-L258 HydrophobicContact CB-CD2 4.25Å; H39-L258 WeakPolarHBondContact O-CD2 3.49Å; V42-L258 HydrophobicContact CB-CB 4.22Å; V42-L258 HydrophobicContact CB-CD1 4.24Å; V42-L258 HydrophobicContact CB-CD2 4.46Å; V42-L258 HydrophobicContact CG1-CB 3.78Å; V42-L258 HydrophobicContact CG1-CD1 4.29Å; V42-L258 HydrophobicContact CG2-CD1 4.35Å; D44-L258 PolarHBondContact OD2-N 3.16Å; R48-L258 PolarHBondContact NH2-O 3.02Å; H203-L258 HydrophobicContact CB-CD1 4.25Å; L258-L278 HydrophobicContact CD1-CD1 3.68Å
259Q98.9Very high98.2Very high0 Ų036 Ų360%019%0.189CC..EExtended strand (participates in β ladder)trans-78.1127.1177.4-170.6-175.811.800110N197 L199 H203 K204 V257 E263 V265N197-Q259 PolarHBondContact O-NE2 3.2Å; L199-Q259 HydrophobicContact CB-CG 3.96Å; L199-Q259 VanDerWaalsContact CB-NE2 3.33Å; L199-Q259 HydrophobicContact CD2-CB 4.1Å; L199-Q259 HydrophobicContact CD2-CG 3.75Å; L199-Q259 VanDerWaalsContact CD2-O 3.31Å; L199-Q259 WeakPolarHBondContact CD2-O 3.32Å; H203-Q259 WeakPolarHBondContact CA-O 3.36Å; K204-Q259 HydrophobicContact CB-CB 4.15Å; K204-Q259 PolarHBondContact N-O 2.83Å; K204-Q259 VanDerWaalsContact N-O 3.12Å; K204-Q259 PolarHBondContact O-N 3.04Å; V257-Q259 HydrophobicContact CG1-CB 4.41Å; Q259-E263 WeakPolarHBondContact CA-OE2 3.42Å; Q259-E263 HydrophobicContact CG-CB 4.01Å; Q259-E263 PolarHBondContact NE2-O 3.08Å; Q259-V265 HydrophobicContact CB-CG2 4.28Å; Q259-V265 HydrophobicContact CG-CG2 3.89Å
260R98.8Very high98.2Very high106 Ų10633.8 Ų33.840%0.418%0.175SC..  trans-104163.3-178.9-60.5-177.4-179.683.41.7112.2G262 E263R260-G262 PolarHBondContact O-N 3.43Å; R260-E263 HydrophobicContact CB-CG 4.12Å; R260-E263 PolarHBondContact N-OE2 3.45Å; R260-E263 IonicContact NH1-OE1 3.88Å; R260-E263 WeakPolarHBondContact O-CB 3.47Å; R260-E263 PolarHBondContact O-N 2.81Å; R260-E263 VanDerWaalsContact O-N 3.08Å
261P98.8Very high98.3Very high65 Ų6531.5 Ų31.542%0.42215%0.154SC..THydrogen-bonded Turntrans-54.2132.8173.9-24.733.9000112G202 E263G202-P261 WeakPolarHBondContact O-CD 3.42Å; G202-P261 VanDerWaalsContact O-CG 3.28Å; G202-P261 WeakPolarHBondContact O-CG 3.38Å; P261-E263 VanDerWaalsContact C-N 3.33Å
262G98.6Very high98.5Very high24 Ų2425.7 Ų25.725%0.24712%0.121CC..THydrogen-bonded Turntrans88.6-14.4-17700000114.9Q76 L199 R260Q76-G262 VanDerWaalsContact NE2-C 3.32Å; Q76-G262 PolarHBondContact NE2-O 3.32Å; L199-G262 PolarHBondContact O-N 3.39Å; R260-G262 PolarHBondContact O-N 3.43Å
263E98.9Very high98.6Very high15 Ų1524.4 Ų24.47%0.0712%0.115CC..  trans-81142.7178.7-63.7-172.9154.800111.8R48 V71 L73 Q76 L199 Q259 R260 P261R48-E263 IonicContact CZ-OE1 3.95Å; R48-E263 IonicContact NE-OE1 3.57Å; R48-E263 PolarHBondContact NE-OE1 2.85Å; R48-E263 IonicContact NE-OE2 2.85Å; R48-E263 IonicContact NH2-OE1 2.57Å; R48-E263 IonicContact NH2-OE2 2.86Å; R48-E263 PolarHBondContact NH2-OE2 3.07Å; V71-E263 HydrophobicContact CG1-CB 3.79Å; V71-E263 HydrophobicContact CG1-CG 4.06Å; L73-E263 HydrophobicContact CD2-CG 3.86Å; Q76-E263 PolarHBondContact NE2-O 3.44Å; L199-E263 PolarHBondContact N-O 2.68Å; L199-E263 VanDerWaalsContact N-O 3.09Å; Q259-E263 WeakPolarHBondContact CA-OE2 3.42Å; Q259-E263 HydrophobicContact CG-CB 4.01Å; Q259-E263 PolarHBondContact NE2-O 3.08Å; R260-E263 HydrophobicContact CB-CG 4.12Å; R260-E263 PolarHBondContact N-OE2 3.45Å; R260-E263 IonicContact NH1-OE1 3.88Å; R260-E263 WeakPolarHBondContact O-CB 3.47Å; R260-E263 PolarHBondContact O-N 2.81Å; R260-E263 VanDerWaalsContact O-N 3.08Å; P261-E263 VanDerWaalsContact C-N 3.33Å
264T98.9Very high98.6Very high0 Ų017.1 Ų17.10%09%0.088CC..EExtended strand (participates in β ladder)trans-120.2114.6176.7-52.70000110.5L72 C75 Q76 F156 W196 N197 A198L72-T264 PolarHBondContact N-O 2.97Å; L72-T264 PolarHBondContact O-N 3.25Å; C75-T264 WeakPolarHBondContact CB-OG1 3.32Å; Q76-T264 PolarHBondContact NE2-OG1 3.43Å; F156-T264 HydrophobicContact CE2-CG2 4.46Å; W196-T264 HydrophobicContact CB-CG2 4.26Å; W196-T264 HydrophobicContact CE3-CG2 4.26Å; N197-T264 CarbonylContact O-C 3.5Å; N197-T264 VanDerWaalsContact O-CA 3.32Å; N197-T264 WeakPolarHBondContact O-CA 3.5Å; A198-T264 HydrophobicContact CB-CG2 4.11Å
265V98.9Very high98.7Very high2 Ų217.3 Ų17.31%0.0129%0.089CC..EExtended strand (participates in β ladder)trans-83.7129.3178179.50000109.1V71 W196 N197 W206 V257 Q259 V267V71-V265 HydrophobicContact CG2-CG2 4.18Å; W196-V265 CarbonylContact C-O 2.91Å; W196-V265 VanDerWaalsContact CA-O 3.24Å; W196-V265 WeakPolarHBondContact CA-O 3.34Å; N197-V265 PolarHBondContact N-O 2.97Å; N197-V265 PolarHBondContact O-N 3.24Å; W206-V265 HydrophobicContact CZ2-CB 4.5Å; W206-V265 HydrophobicContact CZ2-CG2 4.35Å; V257-V265 HydrophobicContact CG1-CG2 4.46Å; Q259-V265 HydrophobicContact CB-CG2 4.28Å; Q259-V265 HydrophobicContact CG-CG2 3.89Å; V265-V267 HydrophobicContact CG1-CG2 3.94Å
266F98.9Very high98.7Very high1 Ų115.6 Ų15.60%0.0048%0.08CC..EExtended strand (participates in β ladder)trans-93.5125.5165.4168.9-120.3000109.9F59 F63 E64 V70 F156 P268 F288F59-F266 HydrophobicContact CE2-CB 4.48Å; F59-F266 HydrophobicContact CE2-CD1 4.12Å; F59-F266 HydrophobicContact CE2-CG 4.22Å; F59-F266 HydrophobicContact CZ-CB 4.46Å; F59-F266 AromaticContact CZ-CD1 3.83Å; F59-F266 HydrophobicContact CZ-CD1 3.83Å; F59-F266 HydrophobicContact CZ-CD2 4.03Å; F59-F266 HydrophobicContact CZ-CE1 4.02Å; F59-F266 HydrophobicContact CZ-CE2 4.24Å; F59-F266 AromaticContact CZ-CG 3.83Å; F59-F266 HydrophobicContact CZ-CG 3.83Å; F59-F266 HydrophobicContact CZ-CZ 4.23Å; F63-F266 HydrophobicContact CB-CD1 4.37Å; F63-F266 HydrophobicContact CB-CE1 4.36Å; E64-F266 HydrophobicContact CB-CZ 4.29Å; E64-F266 HydrophobicContact CG-CZ 3.93Å; V70-F266 HydrophobicContact CG1-CB 4.01Å; V70-F266 HydrophobicContact CG1-CD1 4.15Å; V70-F266 PolarHBondContact O-N 3.1Å; F156-F266 AromaticContact CE1-CD2 3.77Å; F156-F266 HydrophobicContact CE1-CD2 3.77Å; F156-F266 HydrophobicContact CE1-CE2 4.4Å; F156-F266 HydrophobicContact CE1-CG 4.38Å; F156-F266 HydrophobicContact CZ-CB 4.33Å; F156-F266 HydrophobicContact CZ-CD2 4.35Å; F266-P268 HydrophobicContact CD1-CG 4.17Å; F266-P268 HydrophobicContact CE1-CB 4.14Å; F266-P268 HydrophobicContact CE1-CG 3.63Å; F266-P268 HydrophobicContact CZ-CB 4.02Å; F266-P268 HydrophobicContact CZ-CG 4Å; F266-F288 HydrophobicContact CD2-CE1 4.43Å; F266-F288 HydrophobicContact CD2-CZ 4.32Å; F266-F288 HydrophobicContact CE2-CE1 4.18Å; F266-F288 AromaticContact CE2-CZ 3.78Å; F266-F288 HydrophobicContact CE2-CZ 3.78Å
267V98.8Very high98.7Very high2 Ų215.2 Ų15.21%0.0128%0.078CC..EExtended strand (participates in β ladder)trans-113.7104.4178.5-174.10000108.5S194 A195 W206 L208 V265 W271S194-V267 CarbonylContact C-O 3.57Å; S194-V267 WeakPolarHBondContact CA-O 3.49Å; S194-V267 WeakPolarHBondContact CB-O 3.23Å; A195-V267 HydrophobicContact CB-CB 4.39Å; A195-V267 PolarHBondContact N-O 2.72Å; A195-V267 PolarHBondContact O-N 3.21Å; W206-V267 HydrophobicContact CZ3-CG2 4.03Å; L208-V267 HydrophobicContact CD2-CG1 4.49Å; V265-V267 HydrophobicContact CG1-CG2 3.94Å; V267-W271 HydrophobicContact CG1-CB 4.39Å
268P98.6Very high98.7Very high1 Ų115.4 Ų15.41%0.0068%0.079CC..  trans-66.1146.8175.7-10.122.6000111Y67 P69 F266 G270 W271Y67-P268 VanDerWaalsContact C-CG 3.46Å; Y67-P268 HydrophobicContact CD1-CB 3.72Å; Y67-P268 HydrophobicContact CG-CB 4.2Å; Y67-P268 WeakPolarHBondContact O-CG 3.36Å; P69-P268 HydrophobicContact CG-CG 4.07Å; F266-P268 HydrophobicContact CD1-CG 4.17Å; F266-P268 HydrophobicContact CE1-CB 4.14Å; F266-P268 HydrophobicContact CE1-CG 3.63Å; F266-P268 HydrophobicContact CZ-CB 4.02Å; F266-P268 HydrophobicContact CZ-CG 4Å; P268-G270 PolarHBondContact O-N 2.91Å; P268-W271 PolarHBondContact O-N 2.71Å
269G97.9Very high98.7Very high4 Ų417.3 Ų17.34%0.0419%0.089CC..THydrogen-bonded Turntrans-57.6137.8178.400000111.9Y67 T193 S194Y67-G269 VanDerWaalsContact CD1-O 3.25Å; Y67-G269 WeakPolarHBondContact CD1-O 3.49Å; Y67-G269 WeakPolarHBondContact CE1-O 3.28Å; T193-G269 WeakPolarHBondContact O-CA 3.5Å; S194-G269 PolarHBondContact OG-N 3.01Å
270G97Very high98.7Very high1 Ų119.4 Ų19.41%0.0110%0.103CC..THydrogen-bonded Turntrans95.3-15.5-177.500000115.7T211 P268 W272T211-G270 WeakPolarHBondContact CA-O 3.28Å; T211-G270 WeakPolarHBondContact CB-O 3.5Å; T211-G270 PolarHBondContact OG1-O 2.96Å; P268-G270 PolarHBondContact O-N 2.91Å; G270-W272 PolarHBondContact O-N 2.92Å
271W98.6Very high98.7Very high48 Ų4814.4 Ų14.418%0.1828%0.083CC..  trans-75.9123.7176.6-77.976.1000110.9Y67 P69 L208 F209 P210 V267 P268 H273Y67-W271 PolarHBondContact O-NE1 2.9Å; P69-W271 HydrophobicContact CG-CD2 3.61Å; P69-W271 HydrophobicContact CG-CE3 3.81Å; P69-W271 HydrophobicContact CG-CG 4.19Å; P69-W271 HydrophobicContact CG-CH2 3.95Å; P69-W271 HydrophobicContact CG-CZ2 3.76Å; P69-W271 HydrophobicContact CG-CZ3 3.97Å; L208-W271 HydrophobicContact CB-CE3 3.8Å; L208-W271 HydrophobicContact CB-CZ3 4.27Å; F209-W271 VanDerWaalsContact C-CE3 3.41Å; F209-W271 WeakPolarHBondContact O-CA 3.18Å; P210-W271 HydrophobicContact CB-CH2 4.45Å; V267-W271 HydrophobicContact CG1-CB 4.39Å; P268-W271 PolarHBondContact O-N 2.71Å; W271-H273 PolarHBondContact O-N 2.95Å; W271-H273 PolarHBondContact O-ND1 2.89Å; W271-H273 VanDerWaalsContact O-ND1 3.07Å
272W98.8Very high98.7Very high21 Ų2111.4 Ų11.48%0.086%0.064CC..EExtended strand (participates in β ladder)trans-63.3133.8164.9-69.3100.4000108.4I186 H187 I188 L208 F209 R215 I218 G270I186-W272 HydrophobicContact CD1-CB 4.2Å; I186-W272 HydrophobicContact CG1-CB 4.12Å; I186-W272 HydrophobicContact CG1-CE3 4.13Å; H187-W272 CarbonylContact O-C 3.58Å; H187-W272 WeakPolarHBondContact O-CA 3.39Å; I188-W272 HydrophobicContact CD1-CD2 3.71Å; I188-W272 HydrophobicContact CD1-CE3 4.2Å; I188-W272 HydrophobicContact CD1-CG 4.06Å; I188-W272 HydrophobicContact CD1-CH2 4.3Å; I188-W272 HydrophobicContact CD1-CZ2 3.84Å; I188-W272 HydrophobicContact CD1-CZ3 4.46Å; I188-W272 HydrophobicContact CG1-CB 4.46Å; I188-W272 HydrophobicContact CG1-CD2 3.58Å; I188-W272 HydrophobicContact CG1-CE3 3.7Å; I188-W272 HydrophobicContact CG1-CG 3.92Å; I188-W272 HydrophobicContact CG1-CH2 4.45Å; I188-W272 HydrophobicContact CG1-CZ2 4.38Å; I188-W272 HydrophobicContact CG1-CZ3 4.14Å; L208-W272 CarbonylContact C-O 3.57Å; L208-W272 WeakPolarHBondContact CA-O 3.33Å; F209-W272 HydrophobicContact CB-CB 4.08Å; F209-W272 HydrophobicContact CD2-CB 4.48Å; F209-W272 PolarHBondContact N-O 2.81Å; F209-W272 PolarHBondContact O-N 3.3Å; R215-W272 HydrophobicContact CG-CH2 4.49Å; I218-W272 HydrophobicContact CD1-CB 3.97Å; I218-W272 HydrophobicContact CD1-CD2 3.63Å; I218-W272 HydrophobicContact CD1-CE3 4.32Å; I218-W272 HydrophobicContact CD1-CG 3.45Å; I218-W272 VanDerWaalsContact CD1-CG 3.45Å; G270-W272 PolarHBondContact O-N 2.92Å
273H98.9Very high98.7Very high10 Ų1010.3 Ų10.35%0.0465%0.052CC..EExtended strand (participates in β ladder)trans-146.8142.2176.459.9-80.5000112.1I186 H187 D189 W206 C207 L208 W271I186-H273 WeakPolarHBondContact CA-O 3.37Å; H187-H273 AromaticContact CD2-NE2 3.97Å; H187-H273 AromaticContact CE1-CD2 3.49Å; H187-H273 PolarHBondContact CE1-CD2 3.22Å; H187-H273 VanDerWaalsContact CE1-CD2 3.49Å; H187-H273 AromaticContact CE1-CE1 3.83Å; H187-H273 AromaticContact CE1-NE2 3.14Å; H187-H273 PolarHBondContact CE1-NE2 3.01Å; H187-H273 PolarHBondContact N-O 2.9Å; H187-H273 VanDerWaalsContact N-O 3.12Å; H187-H273 AromaticContact ND1-NE2 3.98Å; H187-H273 PolarHBondContact ND1-O 3.12Å; H187-H273 AromaticContact NE2-CD2 3.98Å; H187-H273 AromaticContact NE2-CE1 3.62Å; H187-H273 AromaticContact NE2-NE2 3.16Å; H187-H273 PolarHBondContact NE2-NE2 2.94Å; H187-H273 VanDerWaalsContact NE2-NE2 3.16Å; H187-H273 PolarHBondContact O-N 2.92Å; H187-H273 PolarHBondContact O-ND1 3.31Å; D189-H273 IonicContact OD2-CE1 3.13Å; D189-H273 PolarHBondContact OD2-CE1 3.4Å; D189-H273 IonicContact OD2-NE2 3.88Å; W206-H273 HydrophobicContact CE3-CB 4.47Å; W206-H273 AromaticContact CZ3-CD2 3.92Å; C207-H273 WeakPolarHBondContact O-CA 3.03Å; L208-H273 HydrophobicContact CD2-CB 4.24Å; L208-H273 HydrophobicContact CG-CB 4Å; W271-H273 PolarHBondContact O-N 2.95Å; W271-H273 PolarHBondContact O-ND1 2.89Å; W271-H273 VanDerWaalsContact O-ND1 3.07Å
274V98.9Very high98.7Very high0 Ų09.6 Ų9.60%05%0.049CC..EExtended strand (participates in β ladder)trans-128.8138.5177.157.80000108.7T184 I186 W206 C207 A232 W235 F236T184-V274 WeakPolarHBondContact O-CG2 3.14Å; I186-V274 HydrophobicContact CB-CB 3.93Å; I186-V274 HydrophobicContact CG1-CB 4.23Å; W206-V274 WeakPolarHBondContact CA-O 3.4Å; C207-V274 HydrophobicContact CB-CG1 3.74Å; C207-V274 PolarHBondContact N-O 2.84Å; C207-V274 PolarHBondContact O-N 2.68Å; C207-V274 VanDerWaalsContact O-N 3.07Å; A232-V274 HydrophobicContact CB-CG2 4.17Å; W235-V274 HydrophobicContact CB-CG2 4.13Å; W235-V274 HydrophobicContact CD2-CB 4.33Å; W235-V274 HydrophobicContact CD2-CG1 3.83Å; W235-V274 HydrophobicContact CD2-CG2 4.12Å; W235-V274 HydrophobicContact CE3-CB 4.37Å; W235-V274 HydrophobicContact CE3-CG1 3.53Å; W235-V274 HydrophobicContact CE3-CG2 4.12Å; W235-V274 HydrophobicContact CG-CG2 4.11Å; W235-V274 HydrophobicContact CH2-CG1 3.98Å; W235-V274 HydrophobicContact CZ2-CG1 4.24Å; W235-V274 HydrophobicContact CZ3-CG1 3.6Å; F236-V274 HydrophobicContact CD2-CG2 4.38Å; F236-V274 HydrophobicContact CE2-CG1 4.18Å; F236-V274 HydrophobicContact CE2-CG2 3.95Å; F236-V274 HydrophobicContact CZ-CG1 4.17Å
275V98.9Very high98.7Very high10 Ų1010.1 Ų10.16%0.0615%0.053CC..EExtended strand (participates in β ladder)trans-132.6124.5-172.3-166.90000110.6G183 T184 K204 R205 W206 A232G183-V275 CarbonylContact C-O 3.59Å; G183-V275 WeakPolarHBondContact CA-O 3.47Å; T184-V275 PolarHBondContact N-O 2.85Å; T184-V275 PolarHBondContact O-N 3.24Å; K204-V275 HydrophobicContact CB-CG1 3.98Å; K204-V275 HydrophobicContact CD-CG1 4.02Å; K204-V275 HydrophobicContact CG-CG1 4.23Å; R205-V275 WeakPolarHBondContact O-CA 3.2Å; W206-V275 HydrophobicContact CD2-CB 4.43Å; W206-V275 HydrophobicContact CD2-CG1 4.1Å; W206-V275 HydrophobicContact CD2-CG2 3.67Å; W206-V275 HydrophobicContact CE3-CG2 3.36Å; W206-V275 HydrophobicContact CH2-CG1 4.41Å; W206-V275 HydrophobicContact CH2-CG2 3.57Å; W206-V275 HydrophobicContact CZ2-CG1 3.9Å; W206-V275 HydrophobicContact CZ2-CG2 3.88Å; W206-V275 HydrophobicContact CZ3-CG2 3.3Å; A232-V275 VanDerWaalsContact CB-O 3.23Å; A232-V275 WeakPolarHBondContact CB-O 3.47Å
276L98.9Very high98.7Very high0 Ų010.5 Ų10.50%05%0.054CC..EExtended strand (participates in β ladder)trans-115131.7174.5-173.572000110.5F35 R181 K204 R205 A232 V233 F236 L278F35-L276 HydrophobicContact CE1-CD2 3.6Å; F35-L276 HydrophobicContact CZ-CD2 3.94Å; R181-L276 WeakPolarHBondContact O-CD1 3.34Å; K204-L276 WeakPolarHBondContact CA-O 3.44Å; R205-L276 HydrophobicContact CB-CB 4.43Å; R205-L276 PolarHBondContact N-O 2.84Å; R205-L276 PolarHBondContact O-N 3.32Å; A232-L276 HydrophobicContact CB-CD1 4.11Å; V233-L276 HydrophobicContact CB-CD1 4Å; F236-L276 HydrophobicContact CD2-CB 3.66Å; F236-L276 HydrophobicContact CD2-CD2 3.99Å; F236-L276 HydrophobicContact CD2-CG 4.31Å; F236-L276 HydrophobicContact CE2-CB 3.49Å; F236-L276 VanDerWaalsContact CE2-CB 3.49Å; F236-L276 HydrophobicContact CG-CD2 4.3Å; F236-L276 HydrophobicContact CZ-CB 4.37Å; L276-L278 HydrophobicContact CD2-CD2 4.22Å
277N98.9Very high98.7Very high0 Ų011 Ų110%06%0.057CC..EExtended strand (participates in β ladder)trans-81.9121.3171.6-58.4-40.5000109.1Y131 P180 R181 S182 K204 T281Y131-N277 VanDerWaalsContact CE2-ND2 3.29Å; Y131-N277 WeakPolarHBondContact CE2-ND2 3.33Å; Y131-N277 PolarHBondContact OH-ND2 3.48Å; Y131-N277 PolarHBondContact OH-OD1 3.07Å; P180-N277 CarbonylContact C-O 3.52Å; P180-N277 WeakPolarHBondContact CA-O 3.3Å; R181-N277 PolarHBondContact N-O 2.88Å; S182-N277 VanDerWaalsContact O-CB 3.25Å; S182-N277 WeakPolarHBondContact O-CB 3.47Å; S182-N277 PolarHBondContact O-N 2.61Å; S182-N277 PolarHBondContact O-ND2 3.43Å; S182-N277 VanDerWaalsContact O-ND2 3.12Å; S182-N277 PolarHBondContact OG-ND2 3Å; K204-N277 PolarHBondContact NZ-OD1 3.08Å; N277-T281 HydrophobicContact CB-CG2 3.82Å; N277-T281 PolarHBondContact ND2-OG1 2.55Å; N277-T281 PolarHBondContact OD1-OG1 2.86Å
278L98.8Very high98.7Very high6 Ų611 Ų113%0.0316%0.057CC..SBendtrans-85.6-29.6-177.9-60.4-177.5000111.8V37 H39 V42 P180 H203 R205 L258 L276V37-L278 WeakPolarHBondContact CB-O 3.14Å; V37-L278 WeakPolarHBondContact O-CB 3.34Å; H39-L278 HydrophobicContact CB-CD1 3.78Å; V42-L278 HydrophobicContact CG2-CD1 3.86Å; P180-L278 WeakPolarHBondContact CB-O 3.38Å; H203-L278 HydrophobicContact CB-CB 4.24Å; H203-L278 HydrophobicContact CB-CD1 4.19Å; H203-L278 PolarHBondContact O-N 3.46Å; R205-L278 HydrophobicContact CB-CD1 4.14Å; R205-L278 HydrophobicContact CB-CD2 3.9Å; R205-L278 HydrophobicContact CB-CG 4.11Å; L258-L278 HydrophobicContact CD1-CD1 3.68Å; L276-L278 HydrophobicContact CD2-CD2 4.22Å
279D98.7Very high98.7Very high47 Ų4711 Ų1125%0.2516%0.057SC..SBendtrans-139.5-161.2176.359.118.5000110.4P179 G202 H203 T281P179-D279 CarbonylContact C-O 3.57Å; G202-D279 VanDerWaalsContact C-OD1 3.31Å; G202-D279 WeakPolarHBondContact CA-OD1 3.49Å; H203-D279 IonicContact CE1-OD2 2.66Å; H203-D279 IonicContact CG-OD2 2.66Å; H203-D279 PolarHBondContact N-OD1 3.39Å; H203-D279 IonicContact ND1-OD2 2.95Å; H203-D279 PolarHBondContact ND1-OD2 3.4Å; D279-T281 PolarHBondContact O-N 3.35Å; D279-T281 VanDerWaalsContact O-N 3.15Å
280T98.8Very high98.7Very high45 Ų4511 Ų1128%0.2766%0.056SC..  trans-70.6109.6173.7-64.90000109.8L87 L121 G178 G202L87-T280 HydrophobicContact CD1-CG2 4.16Å; L87-T280 HydrophobicContact CD2-CG2 3.86Å; L87-T280 HydrophobicContact CG-CG2 4.17Å; L121-T280 HydrophobicContact CD1-CG2 4.17Å; L121-T280 HydrophobicContact CD2-CG2 4.09Å; G178-T280 WeakPolarHBondContact O-CA 3.34Å; G202-T280 WeakPolarHBondContact CA-O 3.31Å
281T98.9Very high98.7Very high0 Ų013.6 Ų13.60%07%0.072CC..EExtended strand (participates in β ladder)trans-104.1143.2-17964.60000112.4M177 G178 L199 Q201 H203 K204 N277 D279M177-T281 VanDerWaalsContact CA-O 3.32Å; M177-T281 WeakPolarHBondContact CA-O 3.38Å; G178-T281 PolarHBondContact N-O 2.95Å; G178-T281 VanDerWaalsContact N-O 3.12Å; G178-T281 PolarHBondContact O-N 3.13Å; L199-T281 HydrophobicContact CD1-CG2 4.42Å; Q201-T281 VanDerWaalsContact O-CA 3.24Å; Q201-T281 WeakPolarHBondContact O-CA 3.48Å; H203-T281 WeakPolarHBondContact O-CG2 3.24Å; K204-T281 HydrophobicContact CG-CG2 4Å; K204-T281 PolarHBondContact NZ-OG1 3.15Å; N277-T281 HydrophobicContact CB-CG2 3.82Å; N277-T281 PolarHBondContact ND2-OG1 2.55Å; N277-T281 PolarHBondContact OD1-OG1 2.86Å; D279-T281 PolarHBondContact O-N 3.35Å; D279-T281 VanDerWaalsContact O-N 3.15Å
282I98.9Very high98.7Very high3 Ų312.9 Ų12.92%0.0157%0.073CC..EExtended strand (participates in β ladder)trans-133.6123.4167.5-52.9167.8000107.8W85 L90 F175 V176 M177 V200 Q201W85-I282 HydrophobicContact CB-CG2 4.17Å; W85-I282 HydrophobicContact CD2-CG2 4.27Å; W85-I282 HydrophobicContact CE3-CG2 3.69Å; W85-I282 HydrophobicContact CZ3-CG2 4.47Å; W85-I282 VanDerWaalsContact O-CD1 3.32Å; W85-I282 WeakPolarHBondContact O-CD1 3.39Å; L90-I282 HydrophobicContact CD1-CD1 3.78Å; L90-I282 HydrophobicContact CD1-CG2 4.46Å; F175-I282 HydrophobicContact CE2-CG2 3.73Å; F175-I282 HydrophobicContact CZ-CG2 3.83Å; V176-I282 WeakPolarHBondContact O-CA 3.37Å; M177-I282 HydrophobicContact CG-CG1 4.09Å; M177-I282 HydrophobicContact SD-CG1 4.48Å; V200-I282 PolarHBondContact N-O 2.91Å; Q201-I282 HydrophobicContact CB-CB 4.11Å; Q201-I282 HydrophobicContact CB-CD1 4.31Å; Q201-I282 HydrophobicContact CB-CG1 4.28Å; Q201-I282 HydrophobicContact CG-CB 4.45Å; Q201-I282 HydrophobicContact CG-CD1 4.19Å; Q201-I282 PolarHBondContact N-O 3.01Å; Q201-I282 VanDerWaalsContact N-O 3.1Å; Q201-I282 PolarHBondContact O-N 3.36Å
283A98.9Very high98.6Very high0 Ų012 Ų120%07%0.069CC..EExtended strand (participates in β ladder)trans-145.7165.7-174.600000111.6V176 A198 L199V176-A283 PolarHBondContact N-O 2.86Å; V176-A283 PolarHBondContact O-N 3.47Å; A198-A283 VanDerWaalsContact O-CA 3.25Å; A198-A283 WeakPolarHBondContact O-CA 3.33Å; A198-A283 VanDerWaalsContact O-CB 3.3Å; A198-A283 WeakPolarHBondContact O-CB 3.48Å; L199-A283 HydrophobicContact CD1-CB 4.05Å
284V98.9Very high98.6Very high0 Ų011.5 Ų11.50%07%0.067CC..EExtended strand (participates in β ladder)trans-129.1137.1165.560.70000108.8W79 W85 Y150 W174 W196 A198W79-V284 HydrophobicContact CH2-CG1 3.79Å; W79-V284 HydrophobicContact CZ3-CG1 3.64Å; W85-V284 HydrophobicContact CH2-CB 4Å; W85-V284 HydrophobicContact CH2-CG1 4.1Å; W85-V284 HydrophobicContact CZ3-CB 4.16Å; W85-V284 HydrophobicContact CZ3-CG1 4.22Å; Y150-V284 HydrophobicContact CD1-CG1 4.48Å; Y150-V284 HydrophobicContact CD2-CG1 4.2Å; Y150-V284 HydrophobicContact CE1-CG2 4Å; Y150-V284 HydrophobicContact CE2-CG1 4.45Å; Y150-V284 HydrophobicContact CE2-CG2 4.11Å; Y150-V284 HydrophobicContact CG-CG1 4.24Å; W174-V284 WeakPolarHBondContact O-CA 3.28Å; W174-V284 WeakPolarHBondContact O-CG2 3.47Å; W196-V284 HydrophobicContact CH2-CG1 4.35Å; W196-V284 HydrophobicContact CZ3-CG1 4.05Å; A198-V284 HydrophobicContact CB-CG1 4.14Å; A198-V284 PolarHBondContact N-O 2.71Å; A198-V284 PolarHBondContact O-N 2.55Å
285T98.9Very high98.5Very high12 Ų1213.4 Ų13.47%0.0748%0.079CC..EExtended strand (participates in β ladder)trans-133144.9179.8-167.60000109.7F133 R173 W174 V176 W196F133-T285 HydrophobicContact CZ-CG2 4.47Å; R173-T285 CarbonylContact C-O 3.44Å; R173-T285 WeakPolarHBondContact CA-O 3.49Å; W174-T285 HydrophobicContact CB-CG2 4.02Å; W174-T285 HydrophobicContact CE3-CG2 4.17Å; W174-T285 PolarHBondContact N-O 3.39Å; W174-T285 PolarHBondContact O-N 3.07Å; W174-T285 VanDerWaalsContact O-N 3.12Å; V176-T285 HydrophobicContact CG2-CG2 3.93Å; W196-T285 WeakPolarHBondContact O-CA 3.26Å; W196-T285 PolarHBondContact O-OG1 3.4Å
286Q98.8Very high98.5Very high10 Ų1014 Ų145%0.0478%0.082CC..EExtended strand (participates in β ladder)trans-138.1143.2173.6-52.3-16710.200112.1Y150 Y172 R173 A195 W196Y150-Q286 PolarHBondContact OH-NE2 3.23Å; Y172-Q286 CarbonylContact O-C 3.51Å; Y172-Q286 WeakPolarHBondContact O-CA 3.48Å; Y172-Q286 VanDerWaalsContact O-CB 3.23Å; Y172-Q286 WeakPolarHBondContact O-CB 3.3Å; R173-Q286 HydrophobicContact CB-CB 4.36Å; R173-Q286 HydrophobicContact CB-CG 3.53Å; A195-Q286 VanDerWaalsContact CA-O 3.23Å; A195-Q286 WeakPolarHBondContact CA-O 3.44Å; W196-Q286 HydrophobicContact CD2-CB 4.48Å; W196-Q286 HydrophobicContact CH2-CG 3.83Å; W196-Q286 HydrophobicContact CZ2-CB 3.73Å; W196-Q286 HydrophobicContact CZ2-CG 3.33Å; W196-Q286 PolarHBondContact N-O 3.4Å; W196-Q286 PolarHBondContact O-N 2.9Å
287N98.7Very high98.4Very high12 Ų1214 Ų146%0.0648%0.082CC..EExtended strand (participates in β ladder)trans-94.4139169.4-67.229.4000108.2Y172 W174 D189 T193 S194Y172-N287 PolarHBondContact O-N 3.05Å; W174-N287 HydrophobicContact CZ3-CB 4.23Å; W174-N287 WeakPolarHBondContact CZ3-OD1 3.31Å; D189-N287 VanDerWaalsContact CG-ND2 3.3Å; D189-N287 PolarHBondContact OD1-ND2 3Å; T193-N287 PolarHBondContact OG1-ND2 2.59Å; S194-N287 CarbonylContact O-C 3.55Å; S194-N287 VanDerWaalsContact O-CA 3.27Å; S194-N287 WeakPolarHBondContact O-CA 3.41Å
288F98.6Very high98.4Very high2 Ų215 Ų151%0.0099%0.086CC..EExtended strand (participates in β ladder)trans-138.9148.4-177.769.7-79.1000111.5F156 S194 W196 F266 N293F156-F288 HydrophobicContact CB-CD1 4.43Å; F156-F288 HydrophobicContact CB-CE1 4.47Å; F156-F288 HydrophobicContact CD1-CD1 4.35Å; F156-F288 AromaticContact CD1-CE1 3.59Å; F156-F288 HydrophobicContact CD1-CE1 3.59Å; F156-F288 HydrophobicContact CD1-CE2 4.06Å; F156-F288 AromaticContact CD1-CZ 3.42Å; F156-F288 HydrophobicContact CD1-CZ 3.42Å; F156-F288 VanDerWaalsContact CD1-CZ 3.42Å; F156-F288 HydrophobicContact CE1-CE1 4.15Å; F156-F288 AromaticContact CE1-CZ 3.99Å; F156-F288 HydrophobicContact CE1-CZ 3.99Å; F156-F288 HydrophobicContact CG-CE1 4.26Å; F156-F288 HydrophobicContact CG-CZ 4.38Å; S194-F288 PolarHBondContact N-O 3.34Å; S194-F288 VanDerWaalsContact O-CD1 3.31Å; S194-F288 WeakPolarHBondContact O-CD1 3.19Å; S194-F288 PolarHBondContact O-N 3.31Å; W196-F288 AromaticContact CD1-CD1 3.83Å; F266-F288 HydrophobicContact CD2-CE1 4.43Å; F266-F288 HydrophobicContact CD2-CZ 4.32Å; F266-F288 HydrophobicContact CE2-CE1 4.18Å; F266-F288 AromaticContact CE2-CZ 3.78Å; F266-F288 HydrophobicContact CE2-CZ 3.78Å; F288-N293 PolarHBondContact O-ND2 2.93Å
289A98.6Very high98.3Very high0 Ų015.2 Ų15.20%09%0.087CC..  trans-101.1129.2163.300000107.4L160 F161 N293 V297 W312L160-A289 HydrophobicContact CB-CB 3.97Å; L160-A289 WeakPolarHBondContact CG-O 3.28Å; L160-A289 PolarHBondContact N-O 3.4Å; F161-A289 HydrophobicContact CD2-CB 3.86Å; F161-A289 HydrophobicContact CE2-CB 4.11Å; A289-N293 VanDerWaalsContact CA-OD1 3.31Å; A289-N293 WeakPolarHBondContact CA-OD1 3.31Å; A289-V297 HydrophobicContact CB-CB 4.46Å; A289-V297 HydrophobicContact CB-CG1 4.02Å; A289-V297 HydrophobicContact CB-CG2 4.25Å; A289-W312 HydrophobicContact CB-CH2 4.44Å
290S98.3Very high98.1Very high3 Ų314.6 Ų14.62%0.0218%0.082CC..  trans-119170.8176.565.90000109.9E64 L160 T292 N293 F294E64-S290 WeakPolarHBondContact OE1-CB 3.15Å; E64-S290 PolarHBondContact OE1-OG 2.66Å; L160-S290 WeakPolarHBondContact CD1-O 3.49Å; S290-T292 PolarHBondContact O-N 3.13Å; S290-T292 PolarHBondContact OG-N 3.11Å; S290-N293 PolarHBondContact N-OD1 3.44Å; S290-N293 PolarHBondContact O-N 3Å; S290-N293 PolarHBondContact O-OD1 3.5Å; S290-N293 PolarHBondContact OG-N 3.49Å; S290-F294 VanDerWaalsContact O-CB 3.26Å; S290-F294 WeakPolarHBondContact O-CB 3.42Å; S290-F294 PolarHBondContact O-N 3.11Å
291T97.6Very high98Very high57 Ų5712.5 Ų12.535%0.357%0.069SC..THydrogen-bonded Turntrans-55.8-35.4173.6-55.10000111.9D158 L323D158-T291 PolarHBondContact OD2-N 2.87Å; D158-T291 PolarHBondContact OD2-OG1 3.02Å; T291-L323 HydrophobicContact CG2-CD2 4.01Å
292T97.6Very high97.9Very high33 Ų3313.8 Ų13.820%0.2028%0.077CC..THydrogen-bonded Turntrans-66.5-49.8-179.9-57.90000112.5E64 R65 S290E64-T292 HydrophobicContact CB-CG2 4.43Å; E64-T292 HydrophobicContact CG-CG2 3.95Å; E64-T292 WeakPolarHBondContact OE2-CB 3.3Å; E64-T292 PolarHBondContact OE2-OG1 2.95Å; R65-T292 HydrophobicContact CB-CG2 4.26Å; S290-T292 PolarHBondContact O-N 3.13Å; S290-T292 PolarHBondContact OG-N 3.11Å
293N97.9Very high97.6Very high1 Ų119.1 Ų19.11%0.00510%0.097CC..THydrogen-bonded Turntrans-90.2-4.5-17671.919.7000113.8Y67 S194 F288 A289 S290 P295 I296 V297Y67-N293 WeakPolarHBondContact OH-CA 3.42Å; Y67-N293 WeakPolarHBondContact OH-CB 3.27Å; S194-N293 PolarHBondContact N-ND2 3.32Å; S194-N293 PolarHBondContact OG-ND2 2.88Å; F288-N293 PolarHBondContact O-ND2 2.93Å; A289-N293 VanDerWaalsContact CA-OD1 3.31Å; A289-N293 WeakPolarHBondContact CA-OD1 3.31Å; S290-N293 PolarHBondContact N-OD1 3.44Å; S290-N293 PolarHBondContact O-N 3Å; S290-N293 PolarHBondContact O-OD1 3.5Å; S290-N293 PolarHBondContact OG-N 3.49Å; N293-P295 VanDerWaalsContact C-CD 3.45Å; N293-I296 PolarHBondContact O-N 3.3Å; N293-I296 VanDerWaalsContact O-N 3.11Å; N293-V297 HydrophobicContact CB-CG2 4.42Å; N293-V297 WeakPolarHBondContact O-CG2 2.97Å; N293-V297 PolarHBondContact O-N 3.21Å; N293-V297 WeakPolarHBondContact OD1-CG2 3.31Å
294F98.3Very high97.3Very high0 Ų021.7 Ų21.70%012%0.124CC..Hα-helixtrans-51.6-42.8-176.5-178.6-100.7000114.5L160 S290 I296 V297 W298 W312 L316 L323 L326 A327L160-F294 HydrophobicContact CD1-CB 4.05Å; L160-F294 HydrophobicContact CD1-CD2 3.76Å; L160-F294 HydrophobicContact CD1-CG 4.2Å; S290-F294 VanDerWaalsContact O-CB 3.26Å; S290-F294 WeakPolarHBondContact O-CB 3.42Å; S290-F294 PolarHBondContact O-N 3.11Å; F294-I296 VanDerWaalsContact C-N 3.3Å; F294-I296 PolarHBondContact O-N 2.66Å; F294-V297 PolarHBondContact O-N 3.22Å; F294-W298 HydrophobicContact CE1-CB 4.2Å; F294-W298 HydrophobicContact CE2-CB 4.41Å; F294-W298 HydrophobicContact CZ-CB 4.14Å; F294-W298 HydrophobicContact CZ-CD2 4.47Å; F294-W298 HydrophobicContact CZ-CE3 4.35Å; F294-W298 HydrophobicContact CZ-CG 4.38Å; F294-W298 WeakPolarHBondContact O-CB 3.41Å; F294-W298 PolarHBondContact O-N 3.01Å; F294-W312 AromaticContact CD2-CH2 3.92Å; F294-W312 HydrophobicContact CD2-CH2 3.92Å; F294-W312 HydrophobicContact CD2-CZ2 4.1Å; F294-W312 AromaticContact CE2-CH2 3.65Å; F294-W312 HydrophobicContact CE2-CH2 3.65Å; F294-W312 AromaticContact CE2-CZ2 3.72Å; F294-W312 HydrophobicContact CE2-CZ2 3.72Å; F294-W312 HydrophobicContact CE2-CZ3 4.25Å; F294-L316 HydrophobicContact CE2-CD1 3.67Å; F294-L316 HydrophobicContact CZ-CD1 3.67Å; F294-L323 HydrophobicContact CD1-CD2 4.28Å; F294-L323 HydrophobicContact CE1-CB 4.25Å; F294-L323 WeakPolarHBondContact CE1-O 3.48Å; F294-L323 HydrophobicContact CG-CD2 4.32Å; F294-L323 HydrophobicContact CZ-CB 4.33Å; F294-L326 HydrophobicContact CD1-CB 4.42Å; F294-L326 HydrophobicContact CD1-CD2 3.88Å; F294-L326 HydrophobicContact CD1-CG 4.15Å; F294-L326 HydrophobicContact CE1-CB 4.45Å; F294-A327 HydrophobicContact CE1-CB 3.86Å; F294-A327 HydrophobicContact CZ-CB 4.05Å
295P97.5Very high97.2Very high40 Ų4025.8 Ų25.826%0.2614%0.139SC..Hα-helixtrans-55.3-44.4178.3-28.136.7000113.3N293 H299 L326 V330N293-P295 VanDerWaalsContact C-CD 3.45Å; P295-H299 VanDerWaalsContact O-CB 3.3Å; P295-H299 WeakPolarHBondContact O-CB 3.46Å; P295-H299 PolarHBondContact O-N 3.47Å; P295-H299 VanDerWaalsContact O-N 3.08Å; P295-L326 HydrophobicContact CG-CD1 4.32Å; P295-L326 HydrophobicContact CG-CD2 3.93Å; P295-L326 HydrophobicContact CG-CG 4.21Å; P295-V330 HydrophobicContact CB-CG2 4.02Å
296I97.1Very high97Very high23 Ų2328.1 Ų28.112%0.11815%0.154CC..Hα-helixtrans-73.1-43.2179.6-66.9132.7000110.8Y67 N293 F294 W298 H299 K300 T336 I338Y67-I296 WeakPolarHBondContact OH-CD1 3.33Å; N293-I296 PolarHBondContact O-N 3.3Å; N293-I296 VanDerWaalsContact O-N 3.11Å; F294-I296 VanDerWaalsContact C-N 3.3Å; F294-I296 PolarHBondContact O-N 2.66Å; I296-W298 VanDerWaalsContact C-N 3.33Å; I296-W298 PolarHBondContact O-N 2.74Å; I296-H299 PolarHBondContact O-N 3.15Å; I296-K300 HydrophobicContact CG2-CD 4.02Å; I296-K300 WeakPolarHBondContact O-CG 3.12Å; I296-K300 PolarHBondContact O-N 3.25Å; I296-T336 HydrophobicContact CB-CG2 4.39Å; I296-T336 HydrophobicContact CG1-CG2 3.98Å; I296-T336 HydrophobicContact CG2-CG2 4.45Å; I296-I338 HydrophobicContact CD1-CD1 3.4Å; I296-I338 VanDerWaalsContact CD1-CD1 3.4Å; I296-I338 HydrophobicContact CD1-CG1 4.44Å; I296-I338 HydrophobicContact CG1-CD1 4Å; I296-I338 HydrophobicContact CG2-CB 4.19Å; I296-I338 HydrophobicContact CG2-CD1 4.45Å; I296-I338 HydrophobicContact CG2-CG2 4.17Å
297V97.9Very high96.9Very high0 Ų035.8 Ų35.80%019%0.187CC..Hα-helixtrans-62.1-43.7178.7175.70000111F161 L191 G192 T193 A289 N293 F294 T301 W312F161-V297 HydrophobicContact CE2-CG1 3.55Å; F161-V297 HydrophobicContact CZ-CG1 3.53Å; L191-V297 WeakPolarHBondContact O-CA 3.3Å; G192-V297 WeakPolarHBondContact O-CG2 3.41Å; T193-V297 HydrophobicContact CG2-CG2 4.33Å; A289-V297 HydrophobicContact CB-CB 4.46Å; A289-V297 HydrophobicContact CB-CG1 4.02Å; A289-V297 HydrophobicContact CB-CG2 4.25Å; N293-V297 HydrophobicContact CB-CG2 4.42Å; N293-V297 WeakPolarHBondContact O-CG2 2.97Å; N293-V297 PolarHBondContact O-N 3.21Å; N293-V297 WeakPolarHBondContact OD1-CG2 3.31Å; F294-V297 PolarHBondContact O-N 3.22Å; V297-T301 WeakPolarHBondContact O-CB 3.5Å; V297-T301 PolarHBondContact O-N 3.12Å; V297-T301 PolarHBondContact O-OG1 3.37Å; V297-W312 HydrophobicContact CG1-CH2 3.8Å; V297-W312 HydrophobicContact CG1-CZ3 4.06Å
298W98Very high96.8Very high21 Ų2136 Ų368%0.0819%0.188CC..Hα-helixtrans-60.8-52.8176.4175.8-111.1000111.1F294 I296 K300 T301 V302 S309 W312 Y313 A327F294-W298 HydrophobicContact CE1-CB 4.2Å; F294-W298 HydrophobicContact CE2-CB 4.41Å; F294-W298 HydrophobicContact CZ-CB 4.14Å; F294-W298 HydrophobicContact CZ-CD2 4.47Å; F294-W298 HydrophobicContact CZ-CE3 4.35Å; F294-W298 HydrophobicContact CZ-CG 4.38Å; F294-W298 WeakPolarHBondContact O-CB 3.41Å; F294-W298 PolarHBondContact O-N 3.01Å; I296-W298 VanDerWaalsContact C-N 3.33Å; I296-W298 PolarHBondContact O-N 2.74Å; W298-K300 VanDerWaalsContact C-N 3.33Å; W298-K300 PolarHBondContact O-N 2.74Å; W298-T301 PolarHBondContact O-N 3.39Å; W298-T301 VanDerWaalsContact O-N 3.15Å; W298-V302 HydrophobicContact CD2-CG2 3.76Å; W298-V302 HydrophobicContact CE3-CG2 4.14Å; W298-V302 HydrophobicContact CG-CG2 4.36Å; W298-V302 HydrophobicContact CH2-CG2 3.78Å; W298-V302 HydrophobicContact CZ2-CG2 3.43Å; W298-V302 VanDerWaalsContact CZ2-CG2 3.43Å; W298-V302 HydrophobicContact CZ3-CG2 4.15Å; W298-V302 VanDerWaalsContact O-CG2 3.3Å; W298-V302 WeakPolarHBondContact O-CG2 3.25Å; W298-V302 PolarHBondContact O-N 3.05Å; W298-S309 WeakPolarHBondContact CZ3-O 2.98Å; W298-W312 HydrophobicContact CE3-CE3 4.03Å; W298-W312 HydrophobicContact CE3-CZ3 4.21Å; W298-W312 HydrophobicContact CZ3-CE3 4.23Å; W298-Y313 AromaticContact CH2-CD2 3.89Å; W298-Y313 HydrophobicContact CH2-CD2 3.89Å; W298-Y313 AromaticContact CH2-CG 4Å; W298-Y313 HydrophobicContact CH2-CG 4Å; W298-Y313 HydrophobicContact CZ2-CD2 4.03Å; W298-Y313 HydrophobicContact CZ2-CG 4.48Å; W298-A327 HydrophobicContact CD2-CB 3.85Å; W298-A327 HydrophobicContact CG-CB 4.02Å; W298-A327 HydrophobicContact CZ2-CB 4.14Å; W298-A327 PolarHBondContact NE1-O 2.93Å
299H97.2Very high96.7Very high10 Ų1036.1 Ų36.15%0.04619%0.19CC..Hα-helixtrans-50.7-50177.7177.1-83.8000112.6P295 I296 R303 V330 D331 E334 T336P295-H299 VanDerWaalsContact O-CB 3.3Å; P295-H299 WeakPolarHBondContact O-CB 3.46Å; P295-H299 PolarHBondContact O-N 3.47Å; P295-H299 VanDerWaalsContact O-N 3.08Å; I296-H299 PolarHBondContact O-N 3.15Å; H299-R303 PolarHBondContact CD2-NH1 2.91Å; H299-R303 PolarHBondContact CE1-NH1 3.08Å; H299-R303 VanDerWaalsContact CG-NH1 3.27Å; H299-R303 PolarHBondContact ND1-NH1 3.15Å; H299-R303 VanDerWaalsContact ND1-NH1 3.16Å; H299-R303 PolarHBondContact NE2-NH1 3.11Å; H299-R303 PolarHBondContact NE2-NH2 3.01Å; H299-R303 PolarHBondContact O-N 3.28Å; H299-V330 HydrophobicContact CB-CG1 3.94Å; H299-D331 PolarHBondContact CD2-O 3.26Å; H299-D331 VanDerWaalsContact CD2-O 3.27Å; H299-E334 PolarHBondContact NE2-O 3.23Å; H299-T336 HydrophobicContact CB-CG2 3.8Å; H299-T336 VanDerWaalsContact CG-CG2 3.44Å; H299-T336 WeakPolarHBondContact ND1-CG2 3.49Å
300K95.3Very high96.6Very high35 Ų3543.6 Ų43.615%0.15222%0.218CC..Hα-helixtrans-71.5-37.7179.7-69.8178.3179.3-63.90112.6I296 W298 R303 G304 I338 S340I296-K300 HydrophobicContact CG2-CD 4.02Å; I296-K300 WeakPolarHBondContact O-CG 3.12Å; I296-K300 PolarHBondContact O-N 3.25Å; W298-K300 VanDerWaalsContact C-N 3.33Å; W298-K300 PolarHBondContact O-N 2.74Å; K300-R303 PolarHBondContact O-N 3.26Å; K300-G304 PolarHBondContact O-N 3.05Å; K300-I338 WeakPolarHBondContact CE-O 3Å; K300-I338 PolarHBondContact NZ-O 3.21Å; K300-S340 VanDerWaalsContact CE-CB 3.45Å
301T96.7Very high96.5Very high0 Ų046.1 Ų46.10%023%0.228CC..Hα-helixtrans-68.4-36.9178.5-600000111.7F161 V297 W298 R305 L308 W312F161-T301 HydrophobicContact CE1-CG2 4.32Å; V297-T301 WeakPolarHBondContact O-CB 3.5Å; V297-T301 PolarHBondContact O-N 3.12Å; V297-T301 PolarHBondContact O-OG1 3.37Å; W298-T301 PolarHBondContact O-N 3.39Å; W298-T301 VanDerWaalsContact O-N 3.15Å; T301-R305 HydrophobicContact CG2-CB 4.47Å; T301-R305 CarbonylContact O-C 3.6Å; T301-R305 VanDerWaalsContact O-CA 3.28Å; T301-R305 WeakPolarHBondContact O-CA 3.31Å; T301-R305 PolarHBondContact O-N 3.22Å; T301-L308 HydrophobicContact CG2-CD2 4.17Å; T301-L308 HydrophobicContact CG2-CG 4.47Å; T301-W312 HydrophobicContact CG2-CE3 4.21Å; T301-W312 HydrophobicContact CG2-CZ3 4.3Å
302V96.3Very high96.5Very high28 Ų2843.4 Ų43.417%0.1721%0.212CC..Hα-helixtrans-63.9-45.3175.8173.50000110.8W298 P306 L332W298-V302 HydrophobicContact CD2-CG2 3.76Å; W298-V302 HydrophobicContact CE3-CG2 4.14Å; W298-V302 HydrophobicContact CG-CG2 4.36Å; W298-V302 HydrophobicContact CH2-CG2 3.78Å; W298-V302 HydrophobicContact CZ2-CG2 3.43Å; W298-V302 VanDerWaalsContact CZ2-CG2 3.43Å; W298-V302 HydrophobicContact CZ3-CG2 4.15Å; W298-V302 VanDerWaalsContact O-CG2 3.3Å; W298-V302 WeakPolarHBondContact O-CG2 3.25Å; W298-V302 PolarHBondContact O-N 3.05Å; V302-P306 WeakPolarHBondContact O-CA 3.37Å; V302-P306 VanDerWaalsContact O-CG 3.32Å; V302-P306 WeakPolarHBondContact O-CG 3.39Å; V302-L332 HydrophobicContact CB-CD1 4.45Å; V302-L332 HydrophobicContact CB-CD2 3.97Å; V302-L332 HydrophobicContact CG1-CD1 3.67Å; V302-L332 HydrophobicContact CG1-CD2 4.05Å; V302-L332 HydrophobicContact CG2-CD2 4.31Å
303R92.9Very high96.5Very high114 Ų11443.8 Ų43.843%0.4321%0.21SC..Hα-helixtrans-68.8-50.6178-73.5-176.5170.289.6-26.8112.6H299 K300 L332 Q333 E334H299-R303 PolarHBondContact CD2-NH1 2.91Å; H299-R303 PolarHBondContact CE1-NH1 3.08Å; H299-R303 VanDerWaalsContact CG-NH1 3.27Å; H299-R303 PolarHBondContact ND1-NH1 3.15Å; H299-R303 VanDerWaalsContact ND1-NH1 3.16Å; H299-R303 PolarHBondContact NE2-NH1 3.11Å; H299-R303 PolarHBondContact NE2-NH2 3.01Å; H299-R303 PolarHBondContact O-N 3.28Å; K300-R303 PolarHBondContact O-N 3.26Å; R303-L332 PolarHBondContact NH1-O 3.36Å; R303-L332 VanDerWaalsContact NH1-O 3.15Å; R303-L332 VanDerWaalsContact NH2-C 3.34Å; R303-L332 PolarHBondContact NH2-O 2.93Å; R303-Q333 PolarHBondContact NH2-O 3.09Å; R303-E334 PolarHBondContact NH2-O 2.75Å
304G93.3Very high96.5Very high55 Ų5551.1 Ų51.157%0.56724%0.237SC*.Hα-helixtrans-80.6-30.6-173.800000114.5K300K300-G304 PolarHBondContact O-N 3.05Å
305R95.8Very high96.5Very high86 Ų8653.5 Ų53.533%0.32525%0.249SC..  trans-139.565.9-176.5-52.3-166.282.5178.52.2113.1L191 T301 K307 L308 S309 S343L191-R305 HydrophobicContact CD2-CG 4.5Å; T301-R305 HydrophobicContact CG2-CB 4.47Å; T301-R305 CarbonylContact O-C 3.6Å; T301-R305 VanDerWaalsContact O-CA 3.28Å; T301-R305 WeakPolarHBondContact O-CA 3.31Å; T301-R305 PolarHBondContact O-N 3.22Å; R305-K307 VanDerWaalsContact C-N 3.26Å; R305-K307 PolarHBondContact O-N 3.28Å; R305-L308 HydrophobicContact CB-CB 3.86Å; R305-L308 HydrophobicContact CB-CD2 4.28Å; R305-L308 WeakPolarHBondContact O-CB 3.48Å; R305-L308 PolarHBondContact O-N 3.29Å; R305-S309 PolarHBondContact O-N 3.17Å; R305-S309 VanDerWaalsContact O-N 3.09Å; R305-S343 WeakPolarHBondContact CD-OG 3.5Å
306P95.4Very high96.5Very high60 Ų6051.6 Ų51.639%0.3924%0.237SC..Hα-helixtrans-58.6-28.1-172.3-2228000115.9V302 S309 R310V302-P306 WeakPolarHBondContact O-CA 3.37Å; V302-P306 VanDerWaalsContact O-CG 3.32Å; V302-P306 WeakPolarHBondContact O-CG 3.39Å; P306-S309 WeakPolarHBondContact CA-OG 3.32Å; P306-S309 PolarHBondContact O-OG 3.46Å; P306-R310 WeakPolarHBondContact O-CG 3.38Å; P306-R310 PolarHBondContact O-N 2.93Å; P306-R310 PolarHBondContact O-NE 2.6Å
307K96.4Very high96.5Very high172 Ų17255.8 Ų55.875%0.74826%0.255SS*.Hα-helixtrans-75.9-34.5177.3-67.9-179.1-177.9174.30111.8R305R305-K307 VanDerWaalsContact C-N 3.26Å; R305-K307 PolarHBondContact O-N 3.28Å
308L96.3Very high96.4Very high16 Ų1662.1 Ų62.18%0.08428%0.284CS..Hα-helixtrans-69.5-48.7176.5-178.766.1000109.6F161 A164 R168 P170 T301 R305 R310 K311 W312F161-L308 HydrophobicContact CE1-CD2 4.34Å; A164-L308 HydrophobicContact CB-CD1 3.86Å; R168-L308 HydrophobicContact CB-CD1 4.39Å; R168-L308 WeakPolarHBondContact O-CD1 3.46Å; P170-L308 HydrophobicContact CG-CD2 4.2Å; T301-L308 HydrophobicContact CG2-CD2 4.17Å; T301-L308 HydrophobicContact CG2-CG 4.47Å; R305-L308 HydrophobicContact CB-CB 3.86Å; R305-L308 HydrophobicContact CB-CD2 4.28Å; R305-L308 WeakPolarHBondContact O-CB 3.48Å; R305-L308 PolarHBondContact O-N 3.29Å; L308-R310 PolarHBondContact O-N 3.45Å; L308-K311 PolarHBondContact O-N 3.21Å; L308-K311 VanDerWaalsContact O-N 3.13Å; L308-W312 WeakPolarHBondContact O-CB 3.37Å; L308-W312 PolarHBondContact O-N 2.95Å
309S96.8Very high96.4Very high5 Ų566.9 Ų66.94%0.03531%0.307CS..Hα-helixtrans-56.8-47.4-178.963.80000112.4W298 R305 P306 K311 W312 Y313W298-S309 WeakPolarHBondContact CZ3-O 2.98Å; R305-S309 PolarHBondContact O-N 3.17Å; R305-S309 VanDerWaalsContact O-N 3.09Å; P306-S309 WeakPolarHBondContact CA-OG 3.32Å; P306-S309 PolarHBondContact O-OG 3.46Å; S309-K311 VanDerWaalsContact C-N 3.3Å; S309-K311 PolarHBondContact O-N 3.17Å; S309-W312 PolarHBondContact O-N 2.86Å; S309-Y313 VanDerWaalsContact O-CB 3.32Å; S309-Y313 WeakPolarHBondContact O-CB 3.37Å; S309-Y313 PolarHBondContact O-N 3.02Å
310R97.1Very high96.4Very high156 Ų15669.3 Ų69.359%0.58932%0.316SS*.Hα-helixtrans-56.9-40.3177-82178.5-87.1162-20.2113.4P306 L308 R314P306-R310 WeakPolarHBondContact O-CG 3.38Å; P306-R310 PolarHBondContact O-N 2.93Å; P306-R310 PolarHBondContact O-NE 2.6Å; L308-R310 PolarHBondContact O-N 3.45Å; R310-R314 PolarHBondContact O-N 2.74Å
311K95.7Very high96.5Very high56 Ų5671.4 Ų71.424%0.24333%0.333CS..Hα-helixtrans-72.9-46.1177.5-179.7174.8172.9-173.40110.8L308 S309 Y313 R314 I315L308-K311 PolarHBondContact O-N 3.21Å; L308-K311 VanDerWaalsContact O-N 3.13Å; S309-K311 VanDerWaalsContact C-N 3.3Å; S309-K311 PolarHBondContact O-N 3.17Å; K311-Y313 VanDerWaalsContact C-N 3.33Å; K311-Y313 PolarHBondContact O-N 3.2Å; K311-R314 PolarHBondContact O-N 2.72Å; K311-I315 PolarHBondContact O-N 2.77Å
312W98Very high96.5Very high0 Ų075.5 Ų75.50%036%0.355CS..Hα-helixtrans-56.7-48.8-179.9-174.222.9000111L160 F161 A164 A289 F294 V297 W298 T301 L308 S309 R314 I315 L316L160-W312 HydrophobicContact CB-CZ2 3.91Å; L160-W312 PolarHBondContact O-NE1 3.02Å; F161-W312 HydrophobicContact CD1-CD2 4.39Å; F161-W312 HydrophobicContact CD1-CE3 4.35Å; F161-W312 HydrophobicContact CD1-CH2 4.19Å; F161-W312 HydrophobicContact CD1-CZ2 4.21Å; F161-W312 HydrophobicContact CD1-CZ3 4.26Å; F161-W312 HydrophobicContact CE1-CD2 4.4Å; F161-W312 AromaticContact CE1-CE3 3.92Å; F161-W312 HydrophobicContact CE1-CE3 3.92Å; F161-W312 AromaticContact CE1-CH2 3.91Å; F161-W312 HydrophobicContact CE1-CH2 3.91Å; F161-W312 HydrophobicContact CE1-CZ2 4.39Å; F161-W312 AromaticContact CE1-CZ3 3.65Å; F161-W312 HydrophobicContact CE1-CZ3 3.65Å; F161-W312 HydrophobicContact CZ-CH2 4.11Å; F161-W312 HydrophobicContact CZ-CZ3 4Å; A164-W312 HydrophobicContact CB-CB 4.12Å; A164-W312 HydrophobicContact CB-CG 4.1Å; A289-W312 HydrophobicContact CB-CH2 4.44Å; F294-W312 AromaticContact CD2-CH2 3.92Å; F294-W312 HydrophobicContact CD2-CH2 3.92Å; F294-W312 HydrophobicContact CD2-CZ2 4.1Å; F294-W312 AromaticContact CE2-CH2 3.65Å; F294-W312 HydrophobicContact CE2-CH2 3.65Å; F294-W312 AromaticContact CE2-CZ2 3.72Å; F294-W312 HydrophobicContact CE2-CZ2 3.72Å; F294-W312 HydrophobicContact CE2-CZ3 4.25Å; V297-W312 HydrophobicContact CG1-CH2 3.8Å; V297-W312 HydrophobicContact CG1-CZ3 4.06Å; W298-W312 HydrophobicContact CE3-CE3 4.03Å; W298-W312 HydrophobicContact CE3-CZ3 4.21Å; W298-W312 HydrophobicContact CZ3-CE3 4.23Å; T301-W312 HydrophobicContact CG2-CE3 4.21Å; T301-W312 HydrophobicContact CG2-CZ3 4.3Å; L308-W312 WeakPolarHBondContact O-CB 3.37Å; L308-W312 PolarHBondContact O-N 2.95Å; S309-W312 PolarHBondContact O-N 2.86Å; W312-R314 VanDerWaalsContact C-N 3.34Å; W312-R314 PolarHBondContact O-N 3.44Å; W312-I315 PolarHBondContact O-N 3.44Å; W312-I315 VanDerWaalsContact O-N 3.12Å; W312-L316 HydrophobicContact CD2-CD1 4.13Å; W312-L316 HydrophobicContact CG-CD1 4.16Å; W312-L316 HydrophobicContact CG-CG 4.48Å; W312-L316 HydrophobicContact CZ2-CD1 4.42Å; W312-L316 WeakPolarHBondContact O-CG 3.47Å; W312-L316 PolarHBondContact O-N 2.74Å
313Y97.8Very high96.5Very high41 Ų4174.2 Ų74.216%0.16135%0.347CS..Hα-helixtrans-59.5-38.3177.1179.2-94.6000114.1W298 S309 K311 I315 L316 K317 A324 A327 D328W298-Y313 AromaticContact CH2-CD2 3.89Å; W298-Y313 HydrophobicContact CH2-CD2 3.89Å; W298-Y313 AromaticContact CH2-CG 4Å; W298-Y313 HydrophobicContact CH2-CG 4Å; W298-Y313 HydrophobicContact CZ2-CD2 4.03Å; W298-Y313 HydrophobicContact CZ2-CG 4.48Å; S309-Y313 VanDerWaalsContact O-CB 3.32Å; S309-Y313 WeakPolarHBondContact O-CB 3.37Å; S309-Y313 PolarHBondContact O-N 3.02Å; K311-Y313 VanDerWaalsContact C-N 3.33Å; K311-Y313 PolarHBondContact O-N 3.2Å; Y313-I315 VanDerWaalsContact C-N 3.29Å; Y313-I315 PolarHBondContact O-N 3.37Å; Y313-L316 PolarHBondContact O-N 2.68Å; Y313-K317 HydrophobicContact CD1-CD 4.31Å; Y313-K317 HydrophobicContact CD1-CG 4.48Å; Y313-K317 HydrophobicContact CE1-CD 3.59Å; Y313-K317 VanDerWaalsContact CE1-CE 3.49Å; Y313-K317 HydrophobicContact CE1-CG 4.06Å; Y313-K317 PolarHBondContact O-N 2.95Å; Y313-K317 WeakPolarHBondContact OH-CE 3.48Å; Y313-K317 PolarHBondContact OH-NZ 3.42Å; Y313-A324 HydrophobicContact CE2-CB 4.25Å; Y313-A327 HydrophobicContact CD2-CB 3.98Å; Y313-A327 HydrophobicContact CE2-CB 4Å; Y313-D328 VanDerWaalsContact CE2-OD1 3.27Å; Y313-D328 WeakPolarHBondContact CE2-OD1 3.35Å; Y313-D328 VanDerWaalsContact CZ-OD1 3.23Å; Y313-D328 PolarHBondContact OH-OD1 2.86Å; Y313-D328 PolarHBondContact OH-OD2 3.19Å; Y313-D328 VanDerWaalsContact OH-OD2 3.05Å
314R97.5Very high96.7Very high156 Ų15668.9 Ų68.959%0.58933%0.328SS*.Hα-helixtrans-60.2-40.8176.1-174.7-176.8-62.4127.20.6111.8R310 K311 W312R310-R314 PolarHBondContact O-N 2.74Å; K311-R314 PolarHBondContact O-N 2.72Å; W312-R314 VanDerWaalsContact C-N 3.34Å; W312-R314 PolarHBondContact O-N 3.44Å
315I97.6Very high96.9Very high49 Ų4968.5 Ų68.525%0.25132%0.319SS..Hα-helixtrans-74.9-41.3177.9-55.2-55.5000110.4F163 K311 W312 Y313 K317 Q318 E319F163-I315 HydrophobicContact CB-CB 4.48Å; F163-I315 HydrophobicContact CB-CG2 4.02Å; F163-I315 HydrophobicContact CD1-CG2 4.2Å; F163-I315 WeakPolarHBondContact O-CB 3.45Å; F163-I315 WeakPolarHBondContact O-CG1 3.22Å; K311-I315 PolarHBondContact O-N 2.77Å; W312-I315 PolarHBondContact O-N 3.44Å; W312-I315 VanDerWaalsContact O-N 3.12Å; Y313-I315 VanDerWaalsContact C-N 3.29Å; Y313-I315 PolarHBondContact O-N 3.37Å; I315-K317 VanDerWaalsContact C-N 3.29Å; I315-K317 PolarHBondContact O-N 3.36Å; I315-Q318 WeakPolarHBondContact O-CB 3.49Å; I315-Q318 PolarHBondContact O-N 3.04Å; I315-E319 HydrophobicContact CG2-CG 3.94Å; I315-E319 PolarHBondContact O-N 3.15Å
316L97Very high96.9Very high0 Ų067 Ų670%032%0.317CS..Hα-helixtrans-57.5-40.4174.7-70.7175.3000112F163 F294 W312 Y313 Q318 E319 R320 L323 A324F163-L316 HydrophobicContact CB-CD2 4.03Å; F163-L316 HydrophobicContact CD2-CD2 3.73Å; F163-L316 HydrophobicContact CE2-CD2 4.5Å; F163-L316 HydrophobicContact CG-CD2 4.03Å; F294-L316 HydrophobicContact CE2-CD1 3.67Å; F294-L316 HydrophobicContact CZ-CD1 3.67Å; W312-L316 HydrophobicContact CD2-CD1 4.13Å; W312-L316 HydrophobicContact CG-CD1 4.16Å; W312-L316 HydrophobicContact CG-CG 4.48Å; W312-L316 HydrophobicContact CZ2-CD1 4.42Å; W312-L316 WeakPolarHBondContact O-CG 3.47Å; W312-L316 PolarHBondContact O-N 2.74Å; Y313-L316 PolarHBondContact O-N 2.68Å; L316-Q318 PolarHBondContact O-N 3.3Å; L316-Q318 VanDerWaalsContact O-N 3.09Å; L316-E319 PolarHBondContact O-N 3.47Å; L316-R320 HydrophobicContact CD2-CB 4.12Å; L316-R320 CarbonylContact O-C 3.51Å; L316-R320 VanDerWaalsContact O-CA 3.28Å; L316-R320 WeakPolarHBondContact O-CA 3.45Å; L316-R320 PolarHBondContact O-N 3.34Å; L316-L323 HydrophobicContact CD2-CD1 4.26Å; L316-A324 HydrophobicContact CB-CB 4.49Å
317K97.3Very high97Very high112 Ų11264.3 Ų64.349%0.48730%0.3SS..Hα-helixtrans-57.2-25.7174.9-92.2-168.5161.5166.90114.3Y313 I315 A324Y313-K317 HydrophobicContact CD1-CD 4.31Å; Y313-K317 HydrophobicContact CD1-CG 4.48Å; Y313-K317 HydrophobicContact CE1-CD 3.59Å; Y313-K317 VanDerWaalsContact CE1-CE 3.49Å; Y313-K317 HydrophobicContact CE1-CG 4.06Å; Y313-K317 PolarHBondContact O-N 2.95Å; Y313-K317 WeakPolarHBondContact OH-CE 3.48Å; Y313-K317 PolarHBondContact OH-NZ 3.42Å; I315-K317 VanDerWaalsContact C-N 3.29Å; I315-K317 PolarHBondContact O-N 3.36Å; K317-A324 HydrophobicContact CB-CB 4.34Å; K317-A324 HydrophobicContact CG-CB 3.57Å
318Q97.2Very high96.9Very high132 Ų13261 Ų6162%0.61729%0.29SS*.Hα-helixtrans-93.1-46.7-178.9-63174.3100111I315 L316I315-Q318 WeakPolarHBondContact O-CB 3.49Å; I315-Q318 PolarHBondContact O-N 3.04Å; L316-Q318 PolarHBondContact O-N 3.3Å; L316-Q318 VanDerWaalsContact O-N 3.09Å
319E97.3Very high96.8Very high122 Ų12268.5 Ų68.557%0.5732%0.322SS*.Hα-helixtrans-94.8-29.5-170.4-59.6-65.1151.400113.7F163 I315 L316F163-E319 HydrophobicContact CD1-CB 4.01Å; F163-E319 HydrophobicContact CD1-CG 4.2Å; F163-E319 HydrophobicContact CE1-CB 3.79Å; F163-E319 HydrophobicContact CE1-CG 4.22Å; I315-E319 HydrophobicContact CG2-CG 3.94Å; I315-E319 PolarHBondContact O-N 3.15Å; L316-E319 PolarHBondContact O-N 3.47Å
320R96.8Very high96.7Very high60 Ų6069.5 Ų69.523%0.22633%0.329CS..  trans-141.868.5-177.6-70.5-63.6-60.1-86.9-2111.7F163 L316 D322 L323 A324F163-R320 HydrophobicContact CE2-CG 4.07Å; F163-R320 HydrophobicContact CZ-CG 4.03Å; L316-R320 HydrophobicContact CD2-CB 4.12Å; L316-R320 CarbonylContact O-C 3.51Å; L316-R320 VanDerWaalsContact O-CA 3.28Å; L316-R320 WeakPolarHBondContact O-CA 3.45Å; L316-R320 PolarHBondContact O-N 3.34Å; R320-D322 WeakPolarHBondContact CA-OD1 3.36Å; R320-D322 IonicContact CZ-OD1 3.91Å; R320-D322 IonicContact CZ-OD2 3.22Å; R320-D322 IonicContact NE-OD1 3.47Å; R320-D322 PolarHBondContact NE-OD1 2.89Å; R320-D322 IonicContact NE-OD2 2.96Å; R320-D322 PolarHBondContact NE-OD2 2.81Å; R320-D322 IonicContact NH2-OD1 2.72Å; R320-D322 IonicContact NH2-OD2 3.8Å; R320-D322 PolarHBondContact NH2-OD2 3.12Å; R320-D322 PolarHBondContact O-N 2.78Å; R320-L323 HydrophobicContact CB-CB 4.16Å; R320-L323 HydrophobicContact CB-CD1 3.88Å; R320-L323 HydrophobicContact CB-CG 4.14Å; R320-L323 HydrophobicContact CG-CD1 4.13Å; R320-L323 PolarHBondContact O-N 3.03Å; R320-A324 PolarHBondContact O-N 3.11Å; R320-A324 VanDerWaalsContact O-N 3.14Å
321P97.1Very high96.3Very high80 Ų8065.8 Ų65.852%0.51932%0.32SS..Hα-helixtrans-58.6-28.8-177.7-23.233.8000113.6A324 A325P321-A324 PolarHBondContact O-N 2.91Å; P321-A325 WeakPolarHBondContact O-CB 3.31Å; P321-A325 PolarHBondContact O-N 3.09Å
322D97Very high95.9Very high85 Ų8566.4 Ų66.446%0.45533%0.326SS..Hα-helixtrans-57.9-45.1173.161-52.5000112.1R320 L326R320-D322 WeakPolarHBondContact CA-OD1 3.36Å; R320-D322 IonicContact CZ-OD1 3.91Å; R320-D322 IonicContact CZ-OD2 3.22Å; R320-D322 IonicContact NE-OD1 3.47Å; R320-D322 PolarHBondContact NE-OD1 2.89Å; R320-D322 IonicContact NE-OD2 2.96Å; R320-D322 PolarHBondContact NE-OD2 2.81Å; R320-D322 IonicContact NH2-OD1 2.72Å; R320-D322 IonicContact NH2-OD2 3.8Å; R320-D322 PolarHBondContact NH2-OD2 3.12Å; R320-D322 PolarHBondContact O-N 2.78Å; D322-L326 PolarHBondContact O-N 2.98Å; D322-L326 VanDerWaalsContact O-N 3.14Å
323L97.2Very high95.2Very high1 Ų175 Ų751%0.00537%0.366CS..Hα-helixtrans-74.7-33.7177.4-64.5177.7000112.3L160 T291 F294 L316 R320 A325 L326 A327L160-L323 HydrophobicContact CD1-CD1 3.61Å; L160-L323 HydrophobicContact CD1-CD2 4.4Å; L160-L323 HydrophobicContact CD2-CD1 3.47Å; L160-L323 VanDerWaalsContact CD2-CD1 3.47Å; L160-L323 HydrophobicContact CG-CD1 4.14Å; T291-L323 HydrophobicContact CG2-CD2 4.01Å; F294-L323 HydrophobicContact CD1-CD2 4.28Å; F294-L323 HydrophobicContact CE1-CB 4.25Å; F294-L323 WeakPolarHBondContact CE1-O 3.48Å; F294-L323 HydrophobicContact CG-CD2 4.32Å; F294-L323 HydrophobicContact CZ-CB 4.33Å; L316-L323 HydrophobicContact CD2-CD1 4.26Å; R320-L323 HydrophobicContact CB-CB 4.16Å; R320-L323 HydrophobicContact CB-CD1 3.88Å; R320-L323 HydrophobicContact CB-CG 4.14Å; R320-L323 HydrophobicContact CG-CD1 4.13Å; R320-L323 PolarHBondContact O-N 3.03Å; L323-A325 VanDerWaalsContact C-N 3.34Å; L323-L326 WeakPolarHBondContact O-CB 3.32Å; L323-L326 PolarHBondContact O-N 3.36Å; L323-A327 PolarHBondContact O-N 2.88Å
324A97Very high94.5Very high3 Ų379.4 Ų79.43%0.02539%0.388CS..Hα-helixtrans-63.8-41.3173.700000111.6Y313 L316 K317 R320 P321 L326 A327 D328Y313-A324 HydrophobicContact CE2-CB 4.25Å; L316-A324 HydrophobicContact CB-CB 4.49Å; K317-A324 HydrophobicContact CB-CB 4.34Å; K317-A324 HydrophobicContact CG-CB 3.57Å; R320-A324 PolarHBondContact O-N 3.11Å; R320-A324 VanDerWaalsContact O-N 3.14Å; P321-A324 PolarHBondContact O-N 2.91Å; A324-L326 VanDerWaalsContact C-N 3.29Å; A324-L326 PolarHBondContact O-N 3.13Å; A324-A327 WeakPolarHBondContact O-CB 3.29Å; A324-A327 PolarHBondContact O-N 3.34Å; A324-D328 PolarHBondContact O-N 3.2Å; A324-D328 VanDerWaalsContact O-N 3.08Å
325A97.3Very high93.8Very high46 Ų4677 Ų7738%0.3840%0.395SS..Hα-helixtrans-64.6-33.8173.900000112.2P321 L323 K329P321-A325 WeakPolarHBondContact O-CB 3.31Å; P321-A325 PolarHBondContact O-N 3.09Å; L323-A325 VanDerWaalsContact C-N 3.34Å; A325-K329 WeakPolarHBondContact O-CG 3.36Å; A325-K329 PolarHBondContact O-N 3.46Å
326L95.7Very high93Very high55 Ų5576.6 Ų76.629%0.28840%0.395SS..Hα-helixtrans-66.4-43.8172.3-175.356.9000111.3F294 P295 D322 L323 A324 D328 K329 V330F294-L326 HydrophobicContact CD1-CB 4.42Å; F294-L326 HydrophobicContact CD1-CD2 3.88Å; F294-L326 HydrophobicContact CD1-CG 4.15Å; F294-L326 HydrophobicContact CE1-CB 4.45Å; P295-L326 HydrophobicContact CG-CD1 4.32Å; P295-L326 HydrophobicContact CG-CD2 3.93Å; P295-L326 HydrophobicContact CG-CG 4.21Å; D322-L326 PolarHBondContact O-N 2.98Å; D322-L326 VanDerWaalsContact O-N 3.14Å; L323-L326 WeakPolarHBondContact O-CB 3.32Å; L323-L326 PolarHBondContact O-N 3.36Å; A324-L326 VanDerWaalsContact C-N 3.29Å; A324-L326 PolarHBondContact O-N 3.13Å; L326-D328 VanDerWaalsContact C-N 3.26Å; L326-D328 PolarHBondContact O-N 3.31Å; L326-K329 PolarHBondContact O-N 3.02Å; L326-V330 WeakPolarHBondContact O-CG2 3.4Å; L326-V330 PolarHBondContact O-N 3.09Å
327A96.3Very high92.4Very high4 Ų479.2 Ų79.23%0.03342%0.422CS..Hα-helixtrans-58.4-36.3176.100000113F294 W298 Y313 L323 A324 K329 V330F294-A327 HydrophobicContact CE1-CB 3.86Å; F294-A327 HydrophobicContact CZ-CB 4.05Å; W298-A327 HydrophobicContact CD2-CB 3.85Å; W298-A327 HydrophobicContact CG-CB 4.02Å; W298-A327 HydrophobicContact CZ2-CB 4.14Å; W298-A327 PolarHBondContact NE1-O 2.93Å; Y313-A327 HydrophobicContact CD2-CB 3.98Å; Y313-A327 HydrophobicContact CE2-CB 4Å; L323-A327 PolarHBondContact O-N 2.88Å; A324-A327 WeakPolarHBondContact O-CB 3.29Å; A324-A327 PolarHBondContact O-N 3.34Å; A327-K329 VanDerWaalsContact C-N 3.26Å; A327-K329 PolarHBondContact O-N 2.94Å; A327-V330 PolarHBondContact O-N 3.48Å
328D95.4Very high91.7Very high101 Ų10175.2 Ų75.254%0.5441%0.406SS..Hα-helixtrans-69.4-22.7177.6-68.8-22.2000113.2Y313 A324 L326Y313-D328 VanDerWaalsContact CE2-OD1 3.27Å; Y313-D328 WeakPolarHBondContact CE2-OD1 3.35Å; Y313-D328 VanDerWaalsContact CZ-OD1 3.23Å; Y313-D328 PolarHBondContact OH-OD1 2.86Å; Y313-D328 PolarHBondContact OH-OD2 3.19Å; Y313-D328 VanDerWaalsContact OH-OD2 3.05Å; A324-D328 PolarHBondContact O-N 3.2Å; A324-D328 VanDerWaalsContact O-N 3.08Å; L326-D328 VanDerWaalsContact C-N 3.26Å; L326-D328 PolarHBondContact O-N 3.31Å
329K94.8Very high90.8Very high174 Ų17470.6 Ų70.676%0.75739%0.39SS*.Hα-helixtrans-89.7-14.4178.3-67.3174.6-176.3-178.70113.5A325 L326 A327 D331A325-K329 WeakPolarHBondContact O-CG 3.36Å; A325-K329 PolarHBondContact O-N 3.46Å; L326-K329 PolarHBondContact O-N 3.02Å; A327-K329 VanDerWaalsContact C-N 3.26Å; A327-K329 PolarHBondContact O-N 2.94Å; K329-D331 PolarHBondContact O-N 3.2Å
330V93.3Very high90Very high27 Ų2766.3 Ų66.316%0.16437%0.374CS..SBendtrans-73.7118.1-179.2173.20000109.4P295 H299 L326 A327 L332P295-V330 HydrophobicContact CB-CG2 4.02Å; H299-V330 HydrophobicContact CB-CG1 3.94Å; L326-V330 WeakPolarHBondContact O-CG2 3.4Å; L326-V330 PolarHBondContact O-N 3.09Å; A327-V330 PolarHBondContact O-N 3.48Å; V330-L332 HydrophobicContact CG1-CD2 4.46Å; V330-L332 PolarHBondContact O-N 3.28Å
331D88.9Confident89.2Confident78 Ų7866.5 Ų66.542%0.41738%0.379SS..  trans-71.8123.1172.5-164.2-22.8000110.6H299 K329 Q333 E334H299-D331 PolarHBondContact CD2-O 3.26Å; H299-D331 VanDerWaalsContact CD2-O 3.27Å; K329-D331 PolarHBondContact O-N 3.2Å; D331-Q333 WeakPolarHBondContact OD1-CB 3.39Å; D331-Q333 PolarHBondContact OD1-N 2.95Å; D331-E334 HydrophobicContact CB-CB 4.46Å; D331-E334 HydrophobicContact CB-CG 4.43Å
332L87.6Confident87.3Confident68 Ų6867.7 Ų67.736%0.35639%0.389SS..SBendtrans-91.32.8179.4-62.5174.3000113V302 R303 V330V302-L332 HydrophobicContact CB-CD1 4.45Å; V302-L332 HydrophobicContact CB-CD2 3.97Å; V302-L332 HydrophobicContact CG1-CD1 3.67Å; V302-L332 HydrophobicContact CG1-CD2 4.05Å; V302-L332 HydrophobicContact CG2-CD2 4.31Å; R303-L332 PolarHBondContact NH1-O 3.36Å; R303-L332 VanDerWaalsContact NH1-O 3.15Å; R303-L332 VanDerWaalsContact NH2-C 3.34Å; R303-L332 PolarHBondContact NH2-O 2.93Å; V330-L332 HydrophobicContact CG1-CD2 4.46Å; V330-L332 PolarHBondContact O-N 3.28Å
333Q82.5Confident85Confident180 Ų18065.1 Ų65.184%0.84138%0.378SS*.SBendtrans-98.2-38.5174.5-60.1-171.62.600110.9R303 D331R303-Q333 PolarHBondContact NH2-O 3.09Å; D331-Q333 WeakPolarHBondContact OD1-CB 3.39Å; D331-Q333 PolarHBondContact OD1-N 2.95Å
334E84.3Confident82.2Confident134 Ų13468.6 Ų68.663%0.62640%0.402SS*.SBendtrans-70.9154177.9-66.1-168.7161.600112.9H299 R303 D331H299-E334 PolarHBondContact NE2-O 3.23Å; R303-E334 PolarHBondContact NH2-O 2.75Å; D331-E334 HydrophobicContact CB-CB 4.46Å; D331-E334 HydrophobicContact CB-CG 4.43Å
335S81.7Confident79.3Confident106 Ų10671.5 Ų71.574%0.74142%0.418SS*.  trans-77.2142.9171.9-1790000110.4G337S335-G337 PolarHBondContact O-N 3.44Å; S335-G337 PolarHBondContact OG-N 2.79Å
336T82.3Confident76.3Confident40 Ų4072.6 Ų72.625%0.24542%0.422CS..  trans-77.5-9.5173.6360000113.4I296 H299 I338I296-T336 HydrophobicContact CB-CG2 4.39Å; I296-T336 HydrophobicContact CG1-CG2 3.98Å; I296-T336 HydrophobicContact CG2-CG2 4.45Å; H299-T336 HydrophobicContact CB-CG2 3.8Å; H299-T336 VanDerWaalsContact CG-CG2 3.44Å; H299-T336 WeakPolarHBondContact ND1-CG2 3.49Å; T336-I338 PolarHBondContact O-N 3.17Å
337G82.7Confident73.4Confident56 Ų5671.8 Ų71.858%0.57742%0.421SS*.SBendtrans67.8-4.7-17300000114.7T211 S335T211-G337 WeakPolarHBondContact CG2-O 3.26Å; S335-G337 PolarHBondContact O-N 3.44Å; S335-G337 PolarHBondContact OG-N 2.79Å
338I84.3Confident70.6Confident28 Ų2873.3 Ų73.314%0.14443%0.432CS..  trans-106.1126179.9-64.9-168.2000109.5Y67 I296 K300 T336Y67-I338 HydrophobicContact CD1-CD1 4.32Å; Y67-I338 HydrophobicContact CE1-CD1 3.84Å; I296-I338 HydrophobicContact CD1-CD1 3.4Å; I296-I338 VanDerWaalsContact CD1-CD1 3.4Å; I296-I338 HydrophobicContact CD1-CG1 4.44Å; I296-I338 HydrophobicContact CG1-CD1 4Å; I296-I338 HydrophobicContact CG2-CB 4.19Å; I296-I338 HydrophobicContact CG2-CD1 4.45Å; I296-I338 HydrophobicContact CG2-CG2 4.17Å; K300-I338 WeakPolarHBondContact CE-O 3Å; K300-I338 PolarHBondContact NZ-O 3.21Å; T336-I338 PolarHBondContact O-N 3.17Å
339A77.8Confident67.7Low35 Ų3569.7 Ų69.729%0.28941%0.414SS..  trans-76.7160.8173.600000111.2I188 T211I188-A339 HydrophobicContact CD1-CB 3.35Å; I188-A339 WeakPolarHBondContact CG2-O 3.49Å; T211-A339 WeakPolarHBondContact OG1-CB 3.3Å; T211-A339 PolarHBondContact OG1-N 2.88Å
340S80.2Confident64.8Low32 Ų3264.1 Ų64.122%0.22440%0.398CS..  trans-168142.9-178.8168.30000110D189 P190 L191 G192 K300D189-S340 PolarHBondContact O-OG 3.31Å; P190-S340 VanDerWaalsContact C-OG 3.32Å; L191-S340 WeakPolarHBondContact CA-OG 3.32Å; L191-S340 PolarHBondContact N-OG 2.87Å; G192-S340 PolarHBondContact N-OG 3.2Å; K300-S340 VanDerWaalsContact CE-CB 3.45Å
341D79.3Confident61.8Low64 Ų6467.7 Ų67.734%0.34242%0.424SS..  trans-79.7167.4173.6-67.9-28.7000112.8H187 I188 P190H187-D341 WeakPolarHBondContact CB-OD2 3.37Å; I188-D341 PolarHBondContact N-OD2 3.48Å; I188-D341 WeakPolarHBondContact O-CB 3.5Å; I188-D341 PolarHBondContact O-N 3.05Å; P190-D341 VanDerWaalsContact CA-O 3.26Å; P190-D341 WeakPolarHBondContact CA-O 3.43Å; P190-D341 WeakPolarHBondContact CB-O 3.37Å
342S58.3Low59Low104 Ų10469.3 Ų69.373%0.72744%0.441SS*.  trans-74.1141.7176-69.40000110.9S344S342-S344 PolarHBondContact O-N 2.82Å
343S48.6Very low56.2Low31 Ų3171.6 Ų71.622%0.21746%0.463CS..  trans-77.424.6-172.377.20000115.6R305R305-S343 WeakPolarHBondContact CD-OG 3.5Å
344S37.8Very low53.6Low74 Ų7467.2 Ų67.252%0.51745%0.452SS..SBendtrans-72.9148.4168.149.50000108S342 S346S342-S344 PolarHBondContact O-N 2.82Å; S344-S346 WeakPolarHBondContact CB-OG 3.39Å; S344-S346 PolarHBondContact O-N 3.32Å; S344-S346 PolarHBondContact OG-OG 3.44Å
345D36Very low50.9Low65 Ų6566.3 Ų66.335%0.34846%0.46SS..SBendtrans-67.627.4-175.6-71-48.6000114.7K100 P171 S347K100-D345 PolarHBondContact NZ-O 3.13Å; P171-D345 WeakPolarHBondContact CB-OD1 3.38Å; P171-D345 WeakPolarHBondContact CD-OD1 3.27Å; P171-D345 WeakPolarHBondContact CG-OD1 3.3Å; D345-S347 VanDerWaalsContact C-N 3.3Å; D345-S347 PolarHBondContact O-N 3.43Å
346S33.8Very low48.3Very low68 Ų6868 Ų6848%0.47646%0.461SS..  trans-85.660.2-166-490000111.5S344 S348S344-S346 WeakPolarHBondContact CB-OG 3.39Å; S344-S346 PolarHBondContact O-N 3.32Å; S344-S346 PolarHBondContact OG-OG 3.44Å; S346-S348 PolarHBondContact O-N 2.64Å
347S36.8Very low45.9Very low38 Ų3872.1 Ų72.127%0.26649%0.491SS..  trans-92.460.3157-46.80000108.2F133 D345F133-S347 WeakPolarHBondContact CE1-OG 3.3Å; D345-S347 VanDerWaalsContact C-N 3.3Å; D345-S347 PolarHBondContact O-N 3.43Å
348S36.3Very low43.4Very low36 Ų3677 Ų7725%0.25250%0.504SS..SBendtrans-159.8120.8170.6-64.10000107.1S346 S350S346-S348 PolarHBondContact O-N 2.64Å; S348-S350 PolarHBondContact O-N 3.28Å
349S35.3Very low40.8Very low25 Ų2580.6 Ų80.618%0.17553%0.532CS..  trans-44.6109.4173.6-40.40000110.6E231E231-S349 WeakPolarHBondContact OE1-CB 3.39Å; E231-S349 PolarHBondContact OE1-OG 3.34Å
350S32.8Very low38.6Very low58 Ų5887 Ų8741%0.40656%0.561SS.*  trans-151110.9172.9-61.20000106.8S348 S352S348-S350 PolarHBondContact O-N 3.28Å; S350-S352 PolarHBondContact O-N 2.96Å
351S31.7Very low36Very low102 Ų10289.4 Ų89.471%0.71359%0.591SS**  trans-47113.8-179.847.50000112.3
352S28.6Very low33.7Very low111 Ų11195.6 Ų95.678%0.77662%0.618SS**  trans-96.4110.8156.345.50000107.6S350 S354S350-S352 PolarHBondContact O-N 2.96Å; S352-S354 PolarHBondContact O-N 3.31Å; S352-S354 VanDerWaalsContact O-N 3.09Å
353S29.2Very low32.4Very low116 Ų11696.7 Ų96.781%0.81163%0.626SS**  trans-68.998.5168.148.50000108.4S355S353-S355 PolarHBondContact O-N 2.91Å
354S28.3Very low31.4Very low88 Ų8898.5 Ų98.562%0.61565%0.649SS**  trans-72109.116137.90000107.9S352 D356S352-S354 PolarHBondContact O-N 3.31Å; S352-S354 VanDerWaalsContact O-N 3.09Å; S354-D356 PolarHBondContact O-N 3.42Å
355S28.2Very low30.9Very low115 Ų115100.2 Ų100.280%0.80466%0.661SS**  trans-76.4107.3165.950.10000108.2S353S353-S355 PolarHBondContact O-N 2.91Å
356D27.4Very low30.5Very low143 Ų143106.6 Ų106.677%0.76569%0.689SS**  trans-74.8131.2164.9-61.7-46.1000108.9S354S354-D356 PolarHBondContact O-N 3.42Å
357S31.6Very low30.2Very low125 Ų125107.1 Ų107.187%0.87470%0.704SS**  trans-157109157.5-71.40000108.6
358D29.3Very low29.7Very low158 Ų158113.3 Ų113.385%0.84574%0.735SS**  trans-86.2153.6170.4-84.2-39.2000111.8
359S30.7Very low29.3Very low104 Ų104116 Ų11673%0.72776%0.759SS**  trans82109147.2-57.30000121.9
360D30.7Very low29Very low170 Ų170119.6 Ų119.691%0.90979%0.79SS**  43.2126.6121.7-60.5-28.7000122
361G26.5Very low28.8Very low82 Ų82121.5 Ų121.585%0.84580%0.804SS**  trans179.499.4160.700000111.7
362E29.2Very low28.7Very low194 Ų194125.7 Ų125.791%0.90781%0.812SS**  trans-67.9153.2172.3-74.8-164141.700113.5
363S31.1Very low28.8Very low128 Ų128132.1 Ų132.190%0.89582%0.819SS**  trans119129.8137.974.60000117.6
364G27.4Very low28.7Very low68 Ų68137.4 Ų137.470%0.70182%0.821SS**  trans115.280.3139.800000119.5
365S28.1Very low28.7Very low110 Ų110143.3 Ų143.377%0.76984%0.836SS**  trans51.2120.4134.856.60000123.9
366E27.9Very low28.8Very low200 Ų200147 Ų14794%0.93584%0.837SS**  trans73.6130.7130.4-63.4-170.6163.600122.5
367G26.6Very low28.7Very low78 Ų78151.1 Ų151.180%0.80484%0.842SS**  trans154.4102.8161.600000114.6
368D27.1Very low28.6Very low168 Ų168155.7 Ų155.790%0.89884%0.84SS**  trans-44.2148.3179.4-74-54.8000118.1
369A28.1Very low28.4Very low93 Ų93155.2 Ų155.277%0.76984%0.843SS**  152.7129.5106.300000114.7
370A28.1Very low28.2Very low100 Ų100156.2 Ų156.283%0.82685%0.849SS**  trans65112.9140.800000121.4
371S29.4Very low28Very low99 Ų99151.9 Ų151.969%0.69284%0.844SS**  trans-44.5146.4161.358.20000116.7
372H29.8Very low28Very low189 Ų189155 Ų15588%0.87585%0.847SS**  -159.6111.1128.9-96.6-48.9000113.2
373R30Very low27.8Very low247 Ų247150.3 Ų150.393%0.93284%0.841SS**  trans-76.1132.3158.3-84.4176.6167.7174.3-2109.2
374R28.2Very low27.7Very low226 Ų226148.4 Ų148.485%0.85383%0.833SS**  trans-122.8102163.7-102.1-179.8165.3-178.9-0.9111.1
375K28.3Very low27.6Very low213 Ų213153.4 Ų153.493%0.92684%0.844SS**  trans-83.1132.9151.1-92.7176.7173.9173.10107.2
376K28.6Very low27.6Very low192 Ų192151.9 Ų151.984%0.83585%0.846SS**  trans-127.3121.2164.1-114.6-177179.2-176.30109.9
377R25.7Very low27.5Very low230 Ų230149.8 Ų149.887%0.86884%0.841SS**  trans-120.4129.6170.6-152.3-179.5178.3-169-2.2106.5
378R29.2Very low27.6Very low221 Ų221150.3 Ų150.383%0.83483%0.832SS**  trans26.8130.4158-78-179.6161178.9-6.3120.6
379T26.7Very low27.7Very low147 Ų147148.4 Ų148.490%0.90283%0.827SS**  trans-145135.8136.929.70000110.5
380C25.4Very low27.7Very low125 Ų125149 Ų14985%0.84583%0.825SS**  trans-78.1145.5172-66.10000110.3
381G25.6Very low27.7Very low79 Ų79152.8 Ų152.881%0.81483%0.826SS**  trans-106137.7167.600000110.5
382V26.8Very low27.7Very low148 Ų148155.9 Ų155.990%0.89784%0.835SS**  trans-105.4136.5176.1172.40000108.8
383A26.3Very low27.7Very low96 Ų96154.7 Ų154.779%0.79384%0.835SS**  trans167.7147.3147.600000108.3
384A27.2Very low27.6Very low88 Ų88149 Ų14973%0.72783%0.831SS**  cis-168.4145.9-2300000106.6
385N27.3Very low27.7Very low172 Ų172142.9 Ų142.992%0.9283%0.829SS**  trans56.8131.2153.3-67.8-2.9000123.7
386G26.4Very low27.7Very low79 Ų79138.9 Ų138.981%0.81483%0.828SS**  trans177.574.1167.200000113.6
387D27.5Very low27.8Very low155 Ų155139.4 Ų139.483%0.82983%0.83SS**  trans28139.9151.4-126.6-13.8000126.2
388S27.9Very low28Very low90 Ų90137.4 Ų137.463%0.62983%0.831SS**  trans80119.1141.469.20000124.6
389T28.6Very low28Very low128 Ų128138.8 Ų138.879%0.78584%0.836SS**  trans88.3129.6136520000124.6
390S29.1Very low28Very low104 Ų104137.8 Ų137.873%0.72783%0.833SS**  trans65.9107.4151.951.70000118.6
391Q28.1Very low28.1Very low181 Ų181136.6 Ų136.685%0.84683%0.826SS**  58.7102.794.4-86.9-174.2-22.300113.5
392D29.9Very low28.5Very low164 Ų164137.7 Ų137.788%0.87782%0.821SS**  -175.3131.2115.5-93.7-21000112.3
393D28.8Very low28.9Very low164 Ų164146.1 Ų146.188%0.87784%0.837SS**  trans-72.9137.1171.7-84-48.1000111.2
394C28.8Very low29Very low127 Ų127148.6 Ų148.686%0.85884%0.839SS**  trans-160109.9138.1-124.50000112.9
395A29.7Very low29.1Very low97 Ų97151.8 Ų151.880%0.80285%0.845SS**  trans-70.9129.4170.900000111.1
396S28.3Very low29.2Very low129 Ų129150.7 Ų150.790%0.90284%0.841SS**  trans-89.5114.3166.2-56.80000109
397K30.7Very low29.4Very low204 Ų204154.9 Ų154.989%0.88784%0.843SS**  trans-113.9128.8164-94.1-175.6178.4175.10109.8
398E28.8Very low29.5Very low188 Ų188154.9 Ų154.988%0.87984%0.844SS**  trans-49.3145162.6-58.9170.1135.200111.8
399R29.4Very low29.6Very low250 Ų250159.2 Ų159.294%0.94386%0.858SS**  -166.7139.9125.6-109.3173.7-171.8-159.81.7113.7
400C27.4Very low29.7Very low125 Ų125161.4 Ų161.485%0.84586%0.863SS**  trans-61.2146.3167.9-1600000112.1
401S28Very low29.7Very low100 Ų100165.8 Ų165.870%0.69987%0.873SS**  171.2132.1118.2-161.30000112.9
402S33Very low29.8Very low102 Ų102164.6 Ų164.671%0.71388%0.876SS**  trans50.6120.6142.3530000121.6
403R35.3Very low29.8Very low325 Ų325164.6 Ų164.6100%1.22688%0.876SS**  -146.50109.1-101.4-178.2-175.3-165.71110.3

Retrieved 403 of 403 residues in 343.3 ms (Link to these results)

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