A0A077Z8Z2_TRITR Loading...

Mitochondrial translation optimization 1 homolog isoform b (Predicted)

AlphaFold DB , UniProt , Accession A0A077Z8Z2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 651 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low43.3Very low216 Ų216153.2 Ų153.2100%1.06475%0.754SS**  0-43.60-78.5-169.5-168.300114.9L3 F4 A5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.3Å; M1-F4 PolarHBondContact O-N 3.43Å; M1-A5 PolarHBondContact O-N 3.39Å
2R37.8Very low47.1Very low237 Ų237145.5 Ų145.589%0.89472%0.724SS**THydrogen-bonded Turntrans-67.9-24.6179.4-74.2-178.1177.5175.8-0.7115.4
3L36.7Very low51Low147 Ų147136.9 Ų136.977%0.7768%0.679SS**THydrogen-bonded Turntrans-74.9-32.6174.4-148.378.3000112.4M1 R6M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.3Å; L3-R6 PolarHBondContact O-N 3.3Å
4F35.1Very low54.4Low171 Ų171129.7 Ų129.775%0.7564%0.644SS**Hα-helixtrans-72.6-33.5177-123.5-93.5000112.3M1 R6M1-F4 PolarHBondContact O-N 3.43Å; F4-R6 VanDerWaalsContact C-N 3.27Å; F4-R6 PolarHBondContact O-N 3.33Å
5A36.5Very low57.4Low63 Ų63121.1 Ų121.152%0.52160%0.601SS.*Hα-helixtrans-70.9-19.2176.200000113.7M1M1-A5 PolarHBondContact O-N 3.39Å
6R35.9Very low60Low204 Ų204113.5 Ų113.577%0.7756%0.563SS**Hα-helixtrans-79.6-26.7179.4-123.8178178.9172.8-1.1112.9L3 F4 M8L3-R6 PolarHBondContact O-N 3.3Å; F4-R6 VanDerWaalsContact C-N 3.27Å; F4-R6 PolarHBondContact O-N 3.33Å; R6-M8 VanDerWaalsContact C-N 3.33Å
7L37.9Very low62.2Low145 Ų145106.8 Ų106.876%0.75953%0.53SS*.Hα-helixtrans-75.1-21.9173.9-81.9155000112.9K9L7-K9 VanDerWaalsContact C-N 3.28Å; L7-K9 PolarHBondContact O-N 2.9Å
8M39.2Very low64.2Low164 Ų164101.4 Ų101.481%0.80850%0.504SS*.THydrogen-bonded Turntrans-82.55177.9-70.6-91.5-82.300114.2R6R6-M8 VanDerWaalsContact C-N 3.33Å
9K42.9Very low65.9Low185 Ų18596.6 Ų96.680%0.80448%0.483SS*.THydrogen-bonded Turntrans-94.8-5.2-176.5-101.1-172.5176-1720115.2L7 S11L7-K9 VanDerWaalsContact C-N 3.28Å; L7-K9 PolarHBondContact O-N 2.9Å; K9-S11 PolarHBondContact O-N 3.49Å
10A58.3Low67.4Low69 Ų6992.1 Ų92.157%0.5746%0.462SS*.SBendtrans-81.4118.9170.300000108.5
11S77.1Confident68.7Low84 Ų8488.8 Ų88.859%0.58745%0.451SS*.PPolyproline II helixtrans-48.8135.6170.5-172.50000109K9 R37K9-S11 PolarHBondContact O-N 3.49Å; S11-R37 PolarHBondContact O-NH1 3.09Å
12P89.5Confident71.5Confident61 Ų6178.9 Ų78.940%0.39640%0.402SS..PPolyproline II helixtrans-57.5152.3178.925-34.1000110.7P157P12-P157 HydrophobicContact CB-CB 4.22Å; P12-P157 HydrophobicContact CB-CG 4.36Å
13W98Very high74.4Confident34 Ų3467.8 Ų67.813%0.12936%0.361CS..EExtended strand (participates in β ladder)trans-71.1145.6170.2-64.199.9000109.5I16 R37 L39 P157 C158 R159W13-I16 HydrophobicContact CB-CD1 4.2Å; W13-I16 HydrophobicContact CB-CG1 3.82Å; W13-I16 HydrophobicContact CG-CD1 4.34Å; W13-I16 HydrophobicContact CG-CG1 4.23Å; W13-R37 HydrophobicContact CE3-CG 3.65Å; W13-R37 HydrophobicContact CZ3-CG 3.64Å; W13-L39 HydrophobicContact CD2-CB 3.73Å; W13-L39 HydrophobicContact CD2-CD2 4.36Å; W13-L39 HydrophobicContact CE3-CB 3.77Å; W13-L39 HydrophobicContact CG-CB 4.17Å; W13-L39 HydrophobicContact CH2-CB 4.39Å; W13-L39 HydrophobicContact CH2-CD1 3.98Å; W13-L39 HydrophobicContact CZ2-CB 4.35Å; W13-L39 HydrophobicContact CZ2-CD1 3.91Å; W13-L39 HydrophobicContact CZ2-CD2 4.24Å; W13-L39 HydrophobicContact CZ2-CG 4.41Å; W13-L39 HydrophobicContact CZ3-CB 4.1Å; W13-L39 HydrophobicContact CZ3-CD1 4.43Å; W13-P157 PolarHBondContact N-O 3.37Å; W13-C158 HydrophobicContact CB-CB 4.03Å; W13-C158 CarbonylContact O-C 3.1Å; W13-C158 WeakPolarHBondContact O-CA 3.4Å; W13-C158 WeakPolarHBondContact O-CB 3.43Å; W13-R159 PolarHBondContact O-N 2.85Å; W13-R159 VanDerWaalsContact O-N 3.09Å
14D98.4Very high77.3Confident36 Ų3660.8 Ų60.819%0.19333%0.325CS..EExtended strand (participates in β ladder)trans-74.1-54.2174.1-74-40.5000109.3C36 R37 R159 S160 V404D14-C36 HydrophobicContact CB-CB 3.73Å; D14-R37 WeakPolarHBondContact CB-O 3.24Å; D14-R37 PolarHBondContact N-O 2.94Å; D14-R37 PolarHBondContact OD2-N 3.47Å; D14-R159 WeakPolarHBondContact O-CB 3.41Å; D14-R159 PolarHBondContact O-N 2.69Å; D14-S160 PolarHBondContact O-N 3.2Å; D14-V404 HydrophobicContact CB-CG1 3.84Å; D14-V404 HydrophobicContact CB-CG2 4.41Å; D14-V404 WeakPolarHBondContact O-CG2 3.5Å; D14-V404 WeakPolarHBondContact OD1-CG1 3.33Å
15V98.8Very high80.3Confident0 Ų052.7 Ų52.70%029%0.289CS..EExtended strand (participates in β ladder)trans-127.7131-179.5-177.60000109.4V17 C36 R37 T38 L39 S160 V162 A400 V404V15-V17 HydrophobicContact CG1-CG2 4.1Å; V15-C36 HydrophobicContact CG2-CB 4.2Å; V15-R37 PolarHBondContact N-O 3.17Å; V15-T38 HydrophobicContact CB-CG2 4.32Å; V15-T38 HydrophobicContact CG1-CG2 4.49Å; V15-T38 WeakPolarHBondContact O-CA 3.39Å; V15-L39 PolarHBondContact O-N 3.19Å; V15-S160 WeakPolarHBondContact CA-O 3.25Å; V15-V162 HydrophobicContact CG1-CG2 4.15Å; V15-A400 HydrophobicContact CG1-CB 3.87Å; V15-A400 HydrophobicContact CG2-CB 4.13Å; V15-V404 HydrophobicContact CG2-CG2 4.17Å
16I98.7Very high83.3Confident0 Ų049.7 Ų49.70%026%0.264CS..EExtended strand (participates in β ladder)trans-109.7125.3166.2-63.6-176.8000108.8W13 V18 L39 V41 V148 L156 C158 S160 V161 V162W13-I16 HydrophobicContact CB-CD1 4.2Å; W13-I16 HydrophobicContact CB-CG1 3.82Å; W13-I16 HydrophobicContact CG-CD1 4.34Å; W13-I16 HydrophobicContact CG-CG1 4.23Å; I16-V18 HydrophobicContact CG2-CG2 4.26Å; I16-L39 CarbonylContact C-O 3.58Å; I16-L39 WeakPolarHBondContact CA-O 3.48Å; I16-L39 HydrophobicContact CG1-CB 4.26Å; I16-V41 HydrophobicContact CG2-CG2 3.9Å; I16-V148 HydrophobicContact CD1-CG2 3.77Å; I16-V148 HydrophobicContact CG2-CG1 4.18Å; I16-V148 HydrophobicContact CG2-CG2 4.03Å; I16-L156 HydrophobicContact CD1-CB 3.82Å; I16-C158 HydrophobicContact CB-CB 4.4Å; I16-C158 HydrophobicContact CD1-CB 3.54Å; I16-C158 HydrophobicContact CG1-CB 3.58Å; I16-S160 PolarHBondContact N-O 3.5Å; I16-V161 CarbonylContact O-C 3.15Å; I16-V161 VanDerWaalsContact O-CA 3.28Å; I16-V161 WeakPolarHBondContact O-CA 3.29Å; I16-V162 PolarHBondContact O-N 2.86Å
17V98.7Very high86.3Confident0 Ų040 Ų400%023%0.228CC..EExtended strand (participates in β ladder)trans-104.3125.9174.4-176.40000108.9V15 A27 A28 T38 L39 L40 V41 V162V15-V17 HydrophobicContact CG1-CG2 4.1Å; V17-A27 HydrophobicContact CG1-CB 4.12Å; V17-A27 HydrophobicContact CG2-CB 4.24Å; V17-A28 HydrophobicContact CB-CB 4.36Å; V17-A28 HydrophobicContact CG2-CB 4.08Å; V17-T38 HydrophobicContact CG2-CG2 4.2Å; V17-L39 PolarHBondContact N-O 3.04Å; V17-L40 HydrophobicContact CB-CD1 4.01Å; V17-L40 HydrophobicContact CG1-CD1 3.86Å; V17-V41 PolarHBondContact O-N 3.43Å; V17-V162 CarbonylContact C-O 3.56Å; V17-V162 WeakPolarHBondContact CA-O 3.5Å; V17-V162 HydrophobicContact CG1-CB 4.35Å; V17-V162 HydrophobicContact CG2-CB 4.18Å; V17-V162 HydrophobicContact CG2-CG2 4.36Å
18V97.6Very high89.2Confident9 Ų933.1 Ų33.16%0.05519%0.192CC..EExtended strand (participates in β ladder)trans-105.8108.8-177.2-175.50000109.7I16 V131 V148 V161 V162 A164 T165 L193I16-V18 HydrophobicContact CG2-CG2 4.26Å; V18-V131 HydrophobicContact CB-CG2 4.46Å; V18-V131 HydrophobicContact CG1-CB 3.87Å; V18-V131 HydrophobicContact CG1-CG2 3.73Å; V18-V131 HydrophobicContact CG2-CG2 3.93Å; V18-V148 HydrophobicContact CG2-CG1 4.48Å; V18-V161 HydrophobicContact CG2-CG1 4.15Å; V18-V162 PolarHBondContact N-O 3.38Å; V18-A164 CarbonylContact O-C 3.49Å; V18-A164 WeakPolarHBondContact O-CA 3.49Å; V18-A164 PolarHBondContact O-N 3.32Å; V18-T165 HydrophobicContact CG1-CG2 4.27Å; V18-L193 HydrophobicContact CG1-CD2 4.43Å
19G95.8Very high92Very high10 Ų1025.3 Ų25.310%0.10315%0.154CC..  trans108.9121.5176.900000113.4G21 G24 V41G19-G21 VanDerWaalsContact C-N 3.28Å; G19-G21 PolarHBondContact O-N 3.38Å; G19-G24 WeakPolarHBondContact O-CA 3.37Å; G19-V41 PolarHBondContact N-O 3.14Å
20G95.5Very high94.7Very high7 Ų716.6 Ų16.67%0.07212%0.116CC..  trans-84.427-17900000116.2V48 G49G20-V48 WeakPolarHBondContact O-CA 3.31Å; G20-G49 PolarHBondContact O-N 2.83Å
21G95.7Very high96.6Very high22 Ų2213.3 Ų13.323%0.2279%0.088CC..SBendtrans-77.8178.7173.600000112.4G19 A23 G24 C25G19-G21 VanDerWaalsContact C-N 3.28Å; G19-G21 PolarHBondContact O-N 3.38Å; G21-A23 VanDerWaalsContact C-N 3.28Å; G21-A23 PolarHBondContact O-N 3.18Å; G21-G24 WeakPolarHBondContact O-CA 3.48Å; G21-G24 PolarHBondContact O-N 2.89Å; G21-C25 PolarHBondContact O-N 3.31Å; G21-C25 PolarHBondContact O-SG 2.86Å
22H97.5Very high97.6Very high9 Ų99.3 Ų9.34%0.0426%0.06CC..Hα-helixtrans-51.9-42.1-179.4-54.198.5000114E26 F57 Y110 Y386H22-E26 WeakPolarHBondContact O-CG 3.5Å; H22-E26 PolarHBondContact O-N 2.81Å; H22-F57 AromaticContact CD2-CZ 3.59Å; H22-F57 AromaticContact NE2-CZ 3.82Å; H22-Y110 PolarHBondContact CD2-OH 2.88Å; H22-Y110 AromaticContact NE2-CE1 3.86Å; H22-Y386 AromaticContact CE1-CD1 3.31Å; H22-Y386 WeakPolarHBondContact CE1-CD1 3.42Å; H22-Y386 AromaticContact CE1-CE1 3.79Å; H22-Y386 AromaticContact CE1-CG 3.63Å; H22-Y386 AromaticContact ND1-CD1 3.42Å; H22-Y386 WeakPolarHBondContact ND1-CD1 3.42Å; H22-Y386 AromaticContact ND1-CG 3.81Å
23A98.3Very high98Very high4 Ų49.5 Ų9.53%0.0335%0.053CC..Hα-helixtrans-64-42.7175.300000112.4G21 A27 A164 C377 A389 G393G21-A23 VanDerWaalsContact C-N 3.28Å; G21-A23 PolarHBondContact O-N 3.18Å; A23-A27 VanDerWaalsContact O-CB 3.3Å; A23-A27 WeakPolarHBondContact O-CB 3.32Å; A23-A27 PolarHBondContact O-N 3.29Å; A23-A164 HydrophobicContact CB-CB 4.09Å; A23-C377 HydrophobicContact CB-CB 4.27Å; A23-A389 WeakPolarHBondContact CA-O 3.42Å; A23-A389 HydrophobicContact CB-CB 4.05Å; A23-A389 WeakPolarHBondContact CB-O 3.23Å; A23-G393 WeakPolarHBondContact O-CA 3.22Å
24G98.3Very high98Very high0 Ų08.8 Ų8.80%05%0.052CC..Hα-helixtrans-69.3-38.9179.600000112.9G19 G21 E26 A27 A28G19-G24 WeakPolarHBondContact O-CA 3.37Å; G21-G24 WeakPolarHBondContact O-CA 3.48Å; G21-G24 PolarHBondContact O-N 2.89Å; G24-E26 PolarHBondContact O-N 2.84Å; G24-A27 PolarHBondContact O-N 3.2Å; G24-A28 WeakPolarHBondContact O-CB 3.32Å; G24-A28 PolarHBondContact O-N 3.12Å
25C98.6Very high98Very high0 Ų09.2 Ų9.20%07%0.065CC..Hα-helixtrans-58.2-48.9174.1-62.10000111.2G21 A29 M114 L118G21-C25 PolarHBondContact O-N 3.31Å; G21-C25 PolarHBondContact O-SG 2.86Å; C25-A29 VanDerWaalsContact O-CB 3.3Å; C25-A29 WeakPolarHBondContact O-CB 3.12Å; C25-A29 PolarHBondContact O-N 3.1Å; C25-M114 HydrophobicContact CB-CE 4.42Å; C25-M114 HydrophobicContact CB-SD 3.81Å; C25-L118 HydrophobicContact CB-CD1 4.25Å; C25-L118 HydrophobicContact CB-CD2 4.47Å
26E98.8Very high98Very high1 Ų19.3 Ų9.31%0.0057%0.065CC..Hα-helixtrans-65.5-42.5177.5-68.1-64.717500112.3H22 G24 A28 A29 A30 G74 L75 C76 A390 I394H22-E26 WeakPolarHBondContact O-CG 3.5Å; H22-E26 PolarHBondContact O-N 2.81Å; G24-E26 PolarHBondContact O-N 2.84Å; E26-A28 PolarHBondContact O-N 3.18Å; E26-A29 PolarHBondContact O-N 3.11Å; E26-A30 WeakPolarHBondContact O-CB 3.31Å; E26-A30 PolarHBondContact O-N 3.22Å; E26-G74 WeakPolarHBondContact OE2-CA 3.14Å; E26-L75 VanDerWaalsContact CD-N 3.29Å; E26-L75 PolarHBondContact OE1-N 3.01Å; E26-L75 PolarHBondContact OE2-N 2.9Å; E26-C76 WeakPolarHBondContact OE1-CB 3.38Å; E26-C76 PolarHBondContact OE1-N 2.73Å; E26-C76 PolarHBondContact OE1-SG 3.4Å; E26-A390 HydrophobicContact CG-CB 3.84Å; E26-I394 HydrophobicContact CB-CB 4.19Å
27A98.9Very high98Very high0 Ų013.6 Ų13.60%08%0.081CC..Hα-helixtrans-62.6-44.8179.300000112.1V17 A23 G24 S31 V162 G393 G397V17-A27 HydrophobicContact CG1-CB 4.12Å; V17-A27 HydrophobicContact CG2-CB 4.24Å; A23-A27 VanDerWaalsContact O-CB 3.3Å; A23-A27 WeakPolarHBondContact O-CB 3.32Å; A23-A27 PolarHBondContact O-N 3.29Å; G24-A27 PolarHBondContact O-N 3.2Å; A27-S31 WeakPolarHBondContact O-CB 3.5Å; A27-S31 PolarHBondContact O-N 2.86Å; A27-S31 PolarHBondContact O-OG 3.05Å; A27-V162 HydrophobicContact CB-CB 4.49Å; A27-V162 HydrophobicContact CB-CG1 3.92Å; A27-G393 WeakPolarHBondContact CA-O 3.43Å; A27-G393 VanDerWaalsContact CB-O 3.29Å; A27-G393 WeakPolarHBondContact CB-O 3.43Å; A27-G393 PolarHBondContact N-O 3.38Å; A27-G397 WeakPolarHBondContact O-CA 3.17Å
28A98.8Very high98Very high0 Ų013.6 Ų13.60%08%0.081CC..Hα-helixtrans-64.6-47.3178.800000110.9V17 G24 E26 S31 S32 T38 L40 L124V17-A28 HydrophobicContact CB-CB 4.36Å; V17-A28 HydrophobicContact CG2-CB 4.08Å; G24-A28 WeakPolarHBondContact O-CB 3.32Å; G24-A28 PolarHBondContact O-N 3.12Å; E26-A28 PolarHBondContact O-N 3.18Å; A28-S31 PolarHBondContact O-OG 2.93Å; A28-S32 WeakPolarHBondContact O-CB 3.31Å; A28-S32 PolarHBondContact O-N 2.96Å; A28-T38 HydrophobicContact CB-CG2 4.42Å; A28-L40 HydrophobicContact CB-CB 4.29Å; A28-L40 HydrophobicContact CB-CD1 4.5Å; A28-L124 HydrophobicContact CB-CD1 3.86Å; A28-L124 HydrophobicContact CB-CD2 4.21Å
29A98.6Very high98Very high1 Ų113.3 Ų13.31%0.0088%0.08CC..Hα-helixtrans-63.7-44.2178.700000112.5C25 E26 R33 L75C25-A29 VanDerWaalsContact O-CB 3.3Å; C25-A29 WeakPolarHBondContact O-CB 3.12Å; C25-A29 PolarHBondContact O-N 3.1Å; E26-A29 PolarHBondContact O-N 3.11Å; A29-R33 VanDerWaalsContact O-CB 3.27Å; A29-R33 WeakPolarHBondContact O-CB 3.14Å; A29-R33 PolarHBondContact O-N 2.64Å; A29-L75 HydrophobicContact CB-CD1 3.5Å; A29-L75 HydrophobicContact CB-CD2 4.03Å; A29-L75 HydrophobicContact CB-CG 3.67Å
30A98.6Very high98.1Very high1 Ų112.9 Ų12.91%0.0088%0.075CC..Hα-helixtrans-65.9-46.5-178.500000112.3E26 R33 M34 I394 I398E26-A30 WeakPolarHBondContact O-CB 3.31Å; E26-A30 PolarHBondContact O-N 3.22Å; A30-R33 PolarHBondContact O-N 2.69Å; A30-M34 WeakPolarHBondContact O-CG 3.35Å; A30-M34 PolarHBondContact O-N 2.52Å; A30-I394 HydrophobicContact CB-CG1 4.19Å; A30-I398 HydrophobicContact CB-CG1 4.04Å
31S98.7Very high98.2Very high0 Ų012.6 Ų12.60%07%0.072CC..Hα-helixtrans-64.4-42177.750.10000112.2A27 A28 R33 M34 C36 T38 G397A27-S31 WeakPolarHBondContact O-CB 3.5Å; A27-S31 PolarHBondContact O-N 2.86Å; A27-S31 PolarHBondContact O-OG 3.05Å; A28-S31 PolarHBondContact O-OG 2.93Å; S31-R33 PolarHBondContact O-N 3.34Å; S31-M34 PolarHBondContact O-N 3.12Å; S31-C36 WeakPolarHBondContact O-CB 3.28Å; S31-C36 PolarHBondContact O-N 3.35Å; S31-T38 WeakPolarHBondContact OG-CG2 3.36Å; S31-T38 PolarHBondContact OG-OG1 2.94Å; S31-G397 WeakPolarHBondContact CB-O 3.46Å
32S98.5Very high98.2Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-62.5-41176.7-155.10000112.9A28 M34 G35 T38 P122 N123 L124A28-S32 WeakPolarHBondContact O-CB 3.31Å; A28-S32 PolarHBondContact O-N 2.96Å; S32-M34 VanDerWaalsContact C-N 3.29Å; S32-M34 PolarHBondContact O-N 3.08Å; S32-G35 PolarHBondContact O-N 3.27Å; S32-T38 PolarHBondContact N-OG1 2.81Å; S32-P122 PolarHBondContact OG-O 3.01Å; S32-N123 PolarHBondContact O-ND2 2.92Å; S32-N123 WeakPolarHBondContact OG-CA 3.49Å; S32-N123 WeakPolarHBondContact OG-CB 3.41Å; S32-N123 PolarHBondContact OG-O 3.37Å; S32-L124 WeakPolarHBondContact OG-CB 3.36Å; S32-L124 PolarHBondContact OG-N 2.86Å
33R97.8Very high98Very high65 Ų6515 Ų1525%0.2458%0.084CC..Hα-helixtrans-67.1-28.7178.2-163.1179.2-44.7131.2-2.8113.2A29 A30 S31 G35 D73 C466A29-R33 VanDerWaalsContact O-CB 3.27Å; A29-R33 WeakPolarHBondContact O-CB 3.14Å; A29-R33 PolarHBondContact O-N 2.64Å; A30-R33 PolarHBondContact O-N 2.69Å; S31-R33 PolarHBondContact O-N 3.34Å; R33-G35 PolarHBondContact O-N 3.35Å; R33-D73 IonicContact CZ-OD2 3.97Å; R33-D73 IonicContact NE-OD2 2.84Å; R33-D73 PolarHBondContact NH1-O 3.11Å; R33-D73 IonicContact NH1-OD2 3.18Å; R33-D73 PolarHBondContact NH2-O 2.93Å; R33-C466 WeakPolarHBondContact CD-O 3.3Å; R33-C466 PolarHBondContact NH1-O 3.21Å
34M98.2Very high97.7Very high20 Ų2018.9 Ų18.910%0.09910%0.102CC..THydrogen-bonded Turntrans-73.4-0.7172.2-69.7-177.265.300113.6A30 S31 S32 I398 A401 L405 Q464 G465 C466A30-M34 WeakPolarHBondContact O-CG 3.35Å; A30-M34 PolarHBondContact O-N 2.52Å; S31-M34 PolarHBondContact O-N 3.12Å; S32-M34 VanDerWaalsContact C-N 3.29Å; S32-M34 PolarHBondContact O-N 3.08Å; M34-I398 HydrophobicContact CE-CG2 4.48Å; M34-I398 HydrophobicContact SD-CB 4.14Å; M34-I398 HydrophobicContact SD-CG1 4.28Å; M34-I398 HydrophobicContact SD-CG2 3.84Å; M34-A401 HydrophobicContact CB-CB 3.93Å; M34-A401 HydrophobicContact CE-CB 4.1Å; M34-A401 HydrophobicContact CG-CB 4.4Å; M34-A401 HydrophobicContact SD-CB 3.75Å; M34-L405 HydrophobicContact CB-CD1 4.36Å; M34-L405 HydrophobicContact CE-CD1 4.16Å; M34-Q464 HydrophobicContact CE-CG 4.13Å; M34-G465 WeakPolarHBondContact CG-O 3.13Å; M34-C466 HydrophobicContact CG-CB 3.91Å; M34-C466 HydrophobicContact SD-CB 3.99Å
35G97.5Very high97.6Very high45 Ų4521 Ų2146%0.46411%0.111SC..THydrogen-bonded Turntrans94.15.2177.400000114.6S32 R33S32-G35 PolarHBondContact O-N 3.27Å; R33-G35 PolarHBondContact O-N 3.35Å
36C98.4Very high97.5Very high1 Ų127.4 Ų27.41%0.00714%0.141CC..  trans-78.8137176.5-70.10000111.3D14 V15 S31 T38 N123 A401D14-C36 HydrophobicContact CB-CB 3.73Å; V15-C36 HydrophobicContact CG2-CB 4.2Å; S31-C36 WeakPolarHBondContact O-CB 3.28Å; S31-C36 PolarHBondContact O-N 3.35Å; C36-T38 PolarHBondContact O-N 3.4Å; C36-T38 PolarHBondContact O-OG1 3.06Å; C36-N123 WeakPolarHBondContact O-CB 3.37Å; C36-A401 HydrophobicContact CB-CB 4.39Å; C36-A401 VanDerWaalsContact SG-CB 3.56Å
37R98.4Very high97.3Very high91 Ų9130.6 Ų30.634%0.34316%0.155SC..  trans-70.1104.4170.9-169-171.5170.1-148.1-3.8109.3S11 W13 D14 V15S11-R37 PolarHBondContact O-NH1 3.09Å; W13-R37 HydrophobicContact CE3-CG 3.65Å; W13-R37 HydrophobicContact CZ3-CG 3.64Å; D14-R37 WeakPolarHBondContact CB-O 3.24Å; D14-R37 PolarHBondContact N-O 2.94Å; D14-R37 PolarHBondContact OD2-N 3.47Å; V15-R37 PolarHBondContact N-O 3.17Å
38T98.8Very high97.2Very high0 Ų030.6 Ų30.60%016%0.155CC..EExtended strand (participates in β ladder)trans-111.5136.4-166.9-57.10000111.1V15 V17 A28 S31 S32 C36 N123 L124 S125V15-T38 HydrophobicContact CB-CG2 4.32Å; V15-T38 HydrophobicContact CG1-CG2 4.49Å; V15-T38 WeakPolarHBondContact O-CA 3.39Å; V17-T38 HydrophobicContact CG2-CG2 4.2Å; A28-T38 HydrophobicContact CB-CG2 4.42Å; S31-T38 WeakPolarHBondContact OG-CG2 3.36Å; S31-T38 PolarHBondContact OG-OG1 2.94Å; S32-T38 PolarHBondContact N-OG1 2.81Å; C36-T38 PolarHBondContact O-N 3.4Å; C36-T38 PolarHBondContact O-OG1 3.06Å; T38-N123 PolarHBondContact N-O 3.1Å; T38-L124 HydrophobicContact CG2-CD1 3.86Å; T38-S125 PolarHBondContact O-N 3.33Å
39L98.6Very high97Very high3 Ų330.6 Ų30.62%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-116123172.4-175.168.6000110.3W13 V15 I16 V17 V41 S125 E127 L156W13-L39 HydrophobicContact CD2-CB 3.73Å; W13-L39 HydrophobicContact CD2-CD2 4.36Å; W13-L39 HydrophobicContact CE3-CB 3.77Å; W13-L39 HydrophobicContact CG-CB 4.17Å; W13-L39 HydrophobicContact CH2-CB 4.39Å; W13-L39 HydrophobicContact CH2-CD1 3.98Å; W13-L39 HydrophobicContact CZ2-CB 4.35Å; W13-L39 HydrophobicContact CZ2-CD1 3.91Å; W13-L39 HydrophobicContact CZ2-CD2 4.24Å; W13-L39 HydrophobicContact CZ2-CG 4.41Å; W13-L39 HydrophobicContact CZ3-CB 4.1Å; W13-L39 HydrophobicContact CZ3-CD1 4.43Å; V15-L39 PolarHBondContact O-N 3.19Å; I16-L39 CarbonylContact C-O 3.58Å; I16-L39 WeakPolarHBondContact CA-O 3.48Å; I16-L39 HydrophobicContact CG1-CB 4.26Å; V17-L39 PolarHBondContact N-O 3.04Å; L39-V41 HydrophobicContact CD2-CG2 3.74Å; L39-V41 HydrophobicContact CG-CG2 3.94Å; L39-S125 WeakPolarHBondContact CA-O 3.49Å; L39-E127 HydrophobicContact CD1-CB 4.04Å; L39-E127 HydrophobicContact CD2-CB 4.43Å; L39-E127 HydrophobicContact CG-CB 4.45Å; L39-L156 HydrophobicContact CD2-CD1 3.58Å
40L98.6Very high96.9Very high0 Ų032.4 Ų32.40%016%0.163CC..EExtended strand (participates in β ladder)trans-92.7114.6167.2176.262.7000109.3V17 A28 L118 L124 S125 I126 E127V17-L40 HydrophobicContact CB-CD1 4.01Å; V17-L40 HydrophobicContact CG1-CD1 3.86Å; A28-L40 HydrophobicContact CB-CB 4.29Å; A28-L40 HydrophobicContact CB-CD1 4.5Å; L40-L118 HydrophobicContact CD2-CD1 4.32Å; L40-L124 HydrophobicContact CB-CD1 4.17Å; L40-S125 PolarHBondContact N-O 2.81Å; L40-I126 HydrophobicContact CB-CG1 4.39Å; L40-I126 WeakPolarHBondContact O-CA 3.41Å; L40-E127 PolarHBondContact O-N 2.97Å
41V97.6Very high96.7Very high2 Ų232.5 Ų32.51%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-100.2123.6175.2-175.30000109I16 V17 G19 L39 E127 A129 V131 L150 L156I16-V41 HydrophobicContact CG2-CG2 3.9Å; V17-V41 PolarHBondContact O-N 3.43Å; G19-V41 PolarHBondContact N-O 3.14Å; L39-V41 HydrophobicContact CD2-CG2 3.74Å; L39-V41 HydrophobicContact CG-CG2 3.94Å; V41-E127 WeakPolarHBondContact CA-O 3.34Å; V41-E127 HydrophobicContact CG2-CB 4.41Å; V41-A129 HydrophobicContact CG1-CB 4.03Å; V41-A129 WeakPolarHBondContact CG1-O 3.28Å; V41-V131 HydrophobicContact CB-CG2 4.19Å; V41-V131 HydrophobicContact CG1-CG2 3.72Å; V41-L150 HydrophobicContact CG1-CD2 4.04Å; V41-L156 HydrophobicContact CG2-CD1 4.4Å
42T95.4Very high96.2Very high8 Ų834.3 Ų34.35%0.04918%0.176CC..EExtended strand (participates in β ladder)trans-142.7143.6-179.3-174.60000110.3Q44 V48 I126 E127 E128 A129T42-Q44 VanDerWaalsContact C-N 3.26Å; T42-Q44 PolarHBondContact O-N 3.5Å; T42-Q44 PolarHBondContact OG1-O 3.2Å; T42-V48 HydrophobicContact CG2-CG2 3.74Å; T42-I126 HydrophobicContact CG2-CG2 4.31Å; T42-E127 PolarHBondContact N-O 3.06Å; T42-E128 CarbonylContact O-C 3.55Å; T42-E128 WeakPolarHBondContact O-CA 3.24Å; T42-A129 CarbonylContact C-O 3.57Å; T42-A129 PolarHBondContact O-N 3.45Å
43P92.2Very high95.8Very high73 Ų7336.5 Ų36.547%0.47419%0.19SC..SBendtrans-61.9-33.6-179.6-25.535000113.9
44Q93.3Very high95.5Very high86 Ų8634.4 Ų34.440%0.40218%0.184SC..  trans-143.7122.6-179.7-64.3177.74.600109T42 E46 K47T42-Q44 VanDerWaalsContact C-N 3.26Å; T42-Q44 PolarHBondContact O-N 3.5Å; T42-Q44 PolarHBondContact OG1-O 3.2Å; Q44-E46 VanDerWaalsContact C-N 3.34Å; Q44-K47 HydrophobicContact CB-CB 4.24Å; Q44-K47 HydrophobicContact CB-CG 3.9Å; Q44-K47 PolarHBondContact O-N 2.92Å; Q44-K47 VanDerWaalsContact OE1-CG 3.31Å
45F96Very high95.4Very high44 Ų4433.5 Ų33.519%0.19318%0.18CC..G310 helixtrans-67.5-37.4176.8175.9-110.8000111.1K47 V48 Q115 L119 I126 E128F45-K47 PolarHBondContact O-N 2.88Å; F45-V48 HydrophobicContact CD2-CB 4.44Å; F45-V48 HydrophobicContact CD2-CG2 3.92Å; F45-V48 HydrophobicContact CE2-CG2 4.49Å; F45-V48 VanDerWaalsContact O-CB 3.26Å; F45-V48 WeakPolarHBondContact O-CB 3.06Å; F45-V48 VanDerWaalsContact O-CG2 3.28Å; F45-V48 WeakPolarHBondContact O-CG2 3.39Å; F45-V48 PolarHBondContact O-N 2.9Å; F45-Q115 HydrophobicContact CE1-CB 4.34Å; F45-Q115 HydrophobicContact CE1-CG 4.37Å; F45-Q115 HydrophobicContact CE2-CB 4.4Å; F45-Q115 HydrophobicContact CE2-CG 4.25Å; F45-Q115 HydrophobicContact CZ-CB 3.75Å; F45-Q115 HydrophobicContact CZ-CG 3.92Å; F45-Q115 PolarHBondContact O-NE2 2.86Å; F45-Q115 VanDerWaalsContact O-NE2 3.1Å; F45-L119 HydrophobicContact CE1-CD1 4.01Å; F45-L119 HydrophobicContact CE1-CG 4.49Å; F45-L119 HydrophobicContact CE2-CD2 4.28Å; F45-L119 HydrophobicContact CE2-CG 4.26Å; F45-L119 HydrophobicContact CZ-CD1 3.59Å; F45-L119 HydrophobicContact CZ-CD2 3.92Å; F45-L119 HydrophobicContact CZ-CG 3.66Å; F45-I126 HydrophobicContact CD2-CD1 4.02Å; F45-I126 HydrophobicContact CD2-CG2 3.87Å; F45-I126 HydrophobicContact CE2-CD1 3.51Å; F45-I126 HydrophobicContact CE2-CG2 4.44Å; F45-I126 HydrophobicContact CZ-CD1 4.49Å; F45-E128 HydrophobicContact CB-CG 3.67Å; F45-E128 VanDerWaalsContact CB-OE1 3.24Å; F45-E128 WeakPolarHBondContact CB-OE1 3.26Å; F45-E128 PolarHBondContact N-OE1 2.95Å
46E96.5Very high95.4Very high135 Ų13531.8 Ų31.863%0.63116%0.161SC*.G310 helixtrans-60.7-18.1178.5-162.1-170.5162.400113.1Q44 K111 Q115Q44-E46 VanDerWaalsContact C-N 3.34Å; E46-K111 VanDerWaalsContact O-CD 3.24Å; E46-K111 WeakPolarHBondContact O-CD 3.24Å; E46-K111 WeakPolarHBondContact O-CE 3.3Å; E46-K111 PolarHBondContact O-NZ 3.28Å; E46-Q115 VanDerWaalsContact C-NE2 3.31Å; E46-Q115 PolarHBondContact O-NE2 2.97Å
47K94.5Very high95.4Very high68 Ų6831.8 Ų31.830%0.29616%0.16SC..G310 helixtrans-96.6-2.8177.1-61.2-65.7-176171.70113.9Q44 F45 G49 E50Q44-K47 HydrophobicContact CB-CB 4.24Å; Q44-K47 HydrophobicContact CB-CG 3.9Å; Q44-K47 PolarHBondContact O-N 2.92Å; Q44-K47 VanDerWaalsContact OE1-CG 3.31Å; F45-K47 PolarHBondContact O-N 2.88Å; K47-G49 PolarHBondContact O-N 3.06Å; K47-E50 WeakPolarHBondContact O-CB 3.38Å; K47-E50 PolarHBondContact O-N 2.97Å
48V96.8Very high95.2Very high0 Ų027.7 Ų27.70%015%0.147CC..THydrogen-bonded Turntrans-62.1127.9176.4173.90000109.7G20 T42 F45 E50 K111 Q115 L118G20-V48 WeakPolarHBondContact O-CA 3.31Å; T42-V48 HydrophobicContact CG2-CG2 3.74Å; F45-V48 HydrophobicContact CD2-CB 4.44Å; F45-V48 HydrophobicContact CD2-CG2 3.92Å; F45-V48 HydrophobicContact CE2-CG2 4.49Å; F45-V48 VanDerWaalsContact O-CB 3.26Å; F45-V48 WeakPolarHBondContact O-CB 3.06Å; F45-V48 VanDerWaalsContact O-CG2 3.28Å; F45-V48 WeakPolarHBondContact O-CG2 3.39Å; F45-V48 PolarHBondContact O-N 2.9Å; V48-E50 VanDerWaalsContact C-N 3.31Å; V48-K111 WeakPolarHBondContact O-CG 3.19Å; V48-Q115 HydrophobicContact CB-CG 4.23Å; V48-Q115 PolarHBondContact O-NE2 2.91Å; V48-L118 HydrophobicContact CG1-CD1 3.42Å; V48-L118 VanDerWaalsContact CG1-CD1 3.42Å
49G94.4Very high95Very high0 Ų028 Ų280%015%0.15CC..THydrogen-bonded Turntrans75.512.3-176.200000115G20 K47 M51 Y110G20-G49 PolarHBondContact O-N 2.83Å; K47-G49 PolarHBondContact O-N 3.06Å; G49-M51 PolarHBondContact O-N 3Å; G49-Y110 WeakPolarHBondContact O-CD1 3.47Å; G49-Y110 WeakPolarHBondContact O-CE1 3.5Å
50E95.3Very high94.6Very high38 Ų3831.8 Ų31.818%0.17817%0.17CC..  trans-66.4122.4178.3-17480.3-153.500111.7K47 V48 S52 K111K47-E50 WeakPolarHBondContact O-CB 3.38Å; K47-E50 PolarHBondContact O-N 2.97Å; V48-E50 VanDerWaalsContact C-N 3.31Å; E50-S52 PolarHBondContact O-N 3.45Å; E50-K111 VanDerWaalsContact OE2-CD 3.25Å; E50-K111 WeakPolarHBondContact OE2-CD 3.37Å; E50-K111 IonicContact OE2-NZ 3.08Å; E50-K111 PolarHBondContact OE2-NZ 3.47Å
51M94.3Very high94.2Very high4 Ų432 Ų322%0.0217%0.171CC..  trans-80.8113.8169.9-60.4177.779.100108.8G49 F57 I105 R107 Y110 Y386G49-M51 PolarHBondContact O-N 3Å; M51-F57 HydrophobicContact CE-CD2 3.66Å; M51-F57 HydrophobicContact CE-CE2 3.73Å; M51-F57 HydrophobicContact SD-CD2 4.47Å; M51-F57 HydrophobicContact SD-CE2 4.19Å; M51-I105 HydrophobicContact CE-CB 4.1Å; M51-I105 HydrophobicContact CE-CG1 4.35Å; M51-I105 HydrophobicContact CE-CG2 4.41Å; M51-I105 HydrophobicContact SD-CB 3.99Å; M51-I105 HydrophobicContact SD-CG2 3.7Å; M51-R107 HydrophobicContact CB-CG 4.41Å; M51-R107 VanDerWaalsContact CB-NH1 3.26Å; M51-R107 PolarHBondContact O-NH1 2.85Å; M51-Y110 HydrophobicContact CG-CD1 4.23Å; M51-Y110 HydrophobicContact SD-CD1 4.31Å; M51-Y110 HydrophobicContact SD-CG 4.24Å; M51-Y386 HydrophobicContact CB-CE2 4.36Å; M51-Y386 HydrophobicContact CE-CD2 3.93Å; M51-Y386 HydrophobicContact CE-CE2 3.5Å; M51-Y386 VanDerWaalsContact CE-CE2 3.5Å; M51-Y386 HydrophobicContact CG-CE2 4.41Å
52S88.4Confident94.1Very high37 Ų3733.4 Ų33.426%0.25918%0.177SC..  trans-96.7-22-173.238.50000114.6E50 R184 R214 Y386E50-S52 PolarHBondContact O-N 3.45Å; S52-R184 PolarHBondContact OG-NH2 2.74Å; S52-R214 PolarHBondContact O-NH2 2.95Å; S52-Y386 PolarHBondContact N-OH 3.27Å
53C89.9Confident94.1Very high46 Ų4633 Ų3331%0.31118%0.175SC..SBendtrans-113.4-127.3-178-166.10000109.5R107 R214 Y317 Y386C53-R107 VanDerWaalsContact O-CZ 3.28Å; C53-R107 PolarHBondContact O-NH1 3.44Å; C53-R107 PolarHBondContact O-NH2 2.83Å; C53-R214 PolarHBondContact O-NH2 3.33Å; C53-Y317 VanDerWaalsContact O-CE2 3.24Å; C53-Y317 WeakPolarHBondContact O-CE2 3.28Å; C53-Y317 PolarHBondContact SG-OH 2.76Å; C53-Y386 VanDerWaalsContact CA-OH 3.24Å; C53-Y386 WeakPolarHBondContact CA-OH 3.39Å; C53-Y386 WeakPolarHBondContact CB-OH 3.28Å; C53-Y386 PolarHBondContact N-OH 3.16Å
54N93Very high94.2Very high22 Ų2229.6 Ų29.612%0.11815%0.153CC..  trans-57.3141.2-178.8-147.940.2000112.2S56 E307 Y317 Y386N54-S56 WeakPolarHBondContact ND2-CB 3.48Å; N54-S56 PolarHBondContact ND2-OG 3.05Å; N54-S56 PolarHBondContact O-N 2.85Å; N54-E307 PolarHBondContact ND2-OE2 2.98Å; N54-E307 PolarHBondContact OD1-OE2 3.06Å; N54-E307 VanDerWaalsContact OD1-OE2 3.12Å; N54-Y317 HydrophobicContact CB-CE1 4.36Å; N54-Y317 WeakPolarHBondContact OD1-CD1 3.38Å; N54-Y317 WeakPolarHBondContact OD1-CE1 3.34Å; N54-Y386 PolarHBondContact N-OH 3.16Å; N54-Y386 WeakPolarHBondContact O-CE2 3.4Å; N54-Y386 PolarHBondContact O-OH 2.74Å
55P96.2Very high94.4Very high0 Ų025.5 Ų25.50%013%0.133CC..SBendtrans-81.645.4173.335.9-35.7000111.1Q104 I105 R107 E307 E309 Y317P55-Q104 WeakPolarHBondContact O-CA 3.37Å; P55-Q104 PolarHBondContact O-OE1 2.83Å; P55-Q104 VanDerWaalsContact O-OE1 3.06Å; P55-I105 PolarHBondContact O-N 3.12Å; P55-R107 HydrophobicContact CB-CG 4.29Å; P55-E307 HydrophobicContact CG-CB 4.28Å; P55-E309 HydrophobicContact CB-CG 4.42Å; P55-E309 HydrophobicContact CG-CG 4.32Å; P55-Y317 HydrophobicContact CG-CG 4.39Å
56S96.8Very high94.5Very high10 Ų1023.4 Ų23.47%0.0712%0.124CC..EExtended strand (participates in β ladder)trans-139.5153.7-17777.30000112.2N54 A103N54-S56 WeakPolarHBondContact ND2-CB 3.48Å; N54-S56 PolarHBondContact ND2-OG 3.05Å; N54-S56 PolarHBondContact O-N 2.85Å; S56-A103 CarbonylContact C-O 3.55Å; S56-A103 WeakPolarHBondContact CA-O 3.08Å; S56-A103 VanDerWaalsContact CB-O 3.29Å; S56-A103 WeakPolarHBondContact CB-O 3.5Å
57F97.3Very high94.6Very high0 Ų017.3 Ų17.30%010%0.095CC..EExtended strand (participates in β ladder)trans-116.1149.1161.9-92-92.9000110.9H22 M51 M66 C76 C80 R102 A103 I105 Y110 F237 Y386 E387H22-F57 AromaticContact CD2-CZ 3.59Å; H22-F57 AromaticContact NE2-CZ 3.82Å; M51-F57 HydrophobicContact CE-CD2 3.66Å; M51-F57 HydrophobicContact CE-CE2 3.73Å; M51-F57 HydrophobicContact SD-CD2 4.47Å; M51-F57 HydrophobicContact SD-CE2 4.19Å; F57-M66 HydrophobicContact CD1-CE 3.47Å; F57-M66 VanDerWaalsContact CD1-CE 3.47Å; F57-M66 HydrophobicContact CD1-CG 4.31Å; F57-M66 HydrophobicContact CD1-SD 3.56Å; F57-M66 VanDerWaalsContact CD1-SD 3.56Å; F57-M66 HydrophobicContact CE1-CE 3.88Å; F57-M66 HydrophobicContact CE1-SD 3.86Å; F57-M66 HydrophobicContact CG-CE 4.24Å; F57-C76 HydrophobicContact CE1-CB 4.22Å; F57-C80 WeakPolarHBondContact CD2-SG 3.26Å; F57-C80 WeakPolarHBondContact CG-SG 3.5Å; F57-R102 CarbonylContact O-C 3.6Å; F57-R102 WeakPolarHBondContact O-CA 3.4Å; F57-A103 PolarHBondContact N-O 2.68Å; F57-A103 PolarHBondContact O-N 3.29Å; F57-I105 HydrophobicContact CB-CG1 4.4Å; F57-I105 HydrophobicContact CD2-CG1 4.02Å; F57-Y110 HydrophobicContact CD2-CE2 4.23Å; F57-Y110 HydrophobicContact CE2-CD2 4.25Å; F57-Y110 HydrophobicContact CE2-CE1 4.27Å; F57-Y110 AromaticContact CE2-CE2 3.56Å; F57-Y110 HydrophobicContact CE2-CE2 3.56Å; F57-Y110 AromaticContact CE2-CZ 3.58Å; F57-Y110 HydrophobicContact CZ-CE2 4.08Å; F57-Y110 AromaticContact CZ-CZ 3.77Å; F57-Y110 VanDerWaalsContact CZ-OH 3.31Å; F57-Y110 WeakPolarHBondContact CZ-OH 3.4Å; F57-F237 HydrophobicContact CB-CZ 4.44Å; F57-Y386 HydrophobicContact CD2-CD2 4.39Å; F57-Y386 HydrophobicContact CE1-CD2 4.44Å; F57-Y386 HydrophobicContact CE1-CG 4.46Å; F57-Y386 HydrophobicContact CE2-CD2 4.11Å; F57-Y386 HydrophobicContact CZ-CD2 4.14Å; F57-Y386 HydrophobicContact CZ-CG 4.21Å; F57-E387 WeakPolarHBondContact CA-OE1 3.47Å; F57-E387 HydrophobicContact CD1-CG 3.96Å
58G95.4Very high94.8Very high5 Ų514.1 Ų14.15%0.0528%0.081CC..EExtended strand (participates in β ladder)trans87.7-155.1173.600000114.3K62 Y101 E387G58-K62 VanDerWaalsContact C-CB 3.44Å; G58-K62 VanDerWaalsContact O-CB 3.32Å; G58-K62 WeakPolarHBondContact O-CB 3.46Å; G58-K62 WeakPolarHBondContact O-CD 3.38Å; G58-Y101 CarbonylContact C-O 3.53Å; G58-Y101 WeakPolarHBondContact CA-O 3.4Å; G58-E387 PolarHBondContact N-OE1 2.94Å
59G93.4Very high94.8Very high7 Ų714.1 Ų14.17%0.0728%0.081CC..  trans108.9-169.2-166.700000112.2G61 K62 G63 G100 Y101G59-G61 PolarHBondContact O-N 2.66Å; G59-K62 PolarHBondContact O-N 2.98Å; G59-G63 PolarHBondContact O-N 2.88Å; G59-G100 WeakPolarHBondContact O-CA 3.41Å; G59-Y101 PolarHBondContact N-O 3.45Å
60I90.3Very high95Very high83 Ų8314.1 Ų14.143%0.4268%0.081SC..THydrogen-bonded Turntrans-66.7126.9-177.1-59.6172.5000109.9K62 L90 N91I60-K62 PolarHBondContact O-N 2.8Å; I60-L90 HydrophobicContact CG1-CD1 4.34Å; I60-N91 VanDerWaalsContact CD1-ND2 3.33Å; I60-N91 WeakPolarHBondContact CD1-ND2 3.48Å
61G91.5Very high95.2Very high3 Ų312.3 Ų12.33%0.0317%0.073CC..THydrogen-bonded Turntrans73.2-36.9-175.800000114G59 H64 L65G59-G61 PolarHBondContact O-N 2.66Å; G61-H64 WeakPolarHBondContact O-CB 3.47Å; G61-H64 PolarHBondContact O-N 3.31Å; G61-L65 PolarHBondContact O-N 2.95Å; G61-L65 VanDerWaalsContact O-N 3.13Å
62K95Very high95.4Very high32 Ų3212.1 Ų12.114%0.1397%0.072CC..Hα-helixtrans-66-42.6173.7-73.5177.9173-62.10112.3G58 G59 I60 H64 L65 M66 E387 E388G58-K62 VanDerWaalsContact C-CB 3.44Å; G58-K62 VanDerWaalsContact O-CB 3.32Å; G58-K62 WeakPolarHBondContact O-CB 3.46Å; G58-K62 WeakPolarHBondContact O-CD 3.38Å; G59-K62 PolarHBondContact O-N 2.98Å; I60-K62 PolarHBondContact O-N 2.8Å; K62-H64 VanDerWaalsContact C-N 3.29Å; K62-H64 PolarHBondContact O-N 3.04Å; K62-L65 PolarHBondContact O-N 3.46Å; K62-M66 WeakPolarHBondContact O-CG 3.4Å; K62-M66 PolarHBondContact O-N 2.82Å; K62-E387 HydrophobicContact CB-CB 4.15Å; K62-E387 HydrophobicContact CB-CG 3.82Å; K62-E387 WeakPolarHBondContact CD-OE2 3.43Å; K62-E387 HydrophobicContact CG-CB 4.28Å; K62-E387 HydrophobicContact CG-CG 4.2Å; K62-E387 IonicContact NZ-OE2 3.33Å; K62-E387 PolarHBondContact NZ-OE2 2.72Å; K62-E388 VanDerWaalsContact NZ-CD 3.26Å; K62-E388 IonicContact NZ-OE1 3.54Å; K62-E388 PolarHBondContact NZ-OE1 2.64Å; K62-E388 VanDerWaalsContact NZ-OE1 3.09Å; K62-E388 IonicContact NZ-OE2 3.79Å; K62-E388 PolarHBondContact NZ-OE2 2.9Å
63G95.1Very high95.9Very high0 Ų010.6 Ų10.60%06%0.061CC..Hα-helixtrans-61.3-3717400000112.4G59 M66 R67G59-G63 PolarHBondContact O-N 2.88Å; G63-M66 PolarHBondContact O-N 3.22Å; G63-R67 WeakPolarHBondContact O-CG 3.49Å; G63-R67 PolarHBondContact O-N 3.06Å
64H95.8Very high96.3Very high2 Ų28.4 Ų8.41%0.0095%0.046CC..Hα-helixtrans-61.9-50.4173-59.767000111.5G61 K62 M66 R67 E68 A97 W99 Y418 L448G61-H64 WeakPolarHBondContact O-CB 3.47Å; G61-H64 PolarHBondContact O-N 3.31Å; K62-H64 VanDerWaalsContact C-N 3.29Å; K62-H64 PolarHBondContact O-N 3.04Å; H64-M66 VanDerWaalsContact C-N 3.31Å; H64-M66 PolarHBondContact O-N 2.95Å; H64-R67 PolarHBondContact O-N 3.04Å; H64-E68 WeakPolarHBondContact O-CG 3.44Å; H64-E68 PolarHBondContact O-N 2.92Å; H64-A97 PolarHBondContact NE2-O 3Å; H64-W99 PolarHBondContact CE1-O 2.84Å; H64-Y418 HydrophobicContact CB-CD1 3.87Å; H64-Y418 HydrophobicContact CB-CD2 3.91Å; H64-Y418 HydrophobicContact CB-CE1 4.31Å; H64-Y418 HydrophobicContact CB-CE2 4.3Å; H64-Y418 HydrophobicContact CB-CG 3.71Å; H64-Y418 AromaticContact CD2-CD2 3.97Å; H64-Y418 AromaticContact CD2-CE2 3.58Å; H64-Y418 AromaticContact CD2-CZ 3.86Å; H64-L448 PolarHBondContact CD2-O 3.25Å; H64-L448 VanDerWaalsContact CD2-O 3.24Å
65L97.4Very high96.5Very high0 Ų07.4 Ų7.40%04%0.041CC..Hα-helixtrans-56.8-45.5175.9-73.8-175.8000111.9G61 K62 R67 E68 V69 E387 E388 A391 I419 M422 M437G61-L65 PolarHBondContact O-N 2.95Å; G61-L65 VanDerWaalsContact O-N 3.13Å; K62-L65 PolarHBondContact O-N 3.46Å; L65-R67 PolarHBondContact O-N 3.1Å; L65-E68 PolarHBondContact O-N 3.3Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 2.98Å; L65-E387 HydrophobicContact CB-CB 4.3Å; L65-E387 HydrophobicContact CD1-CB 4.26Å; L65-E388 HydrophobicContact CD1-CB 4.36Å; L65-E388 HydrophobicContact CD1-CG 3.9Å; L65-A391 HydrophobicContact CB-CB 4.35Å; L65-A391 HydrophobicContact CD1-CB 4.18Å; L65-A391 HydrophobicContact CD2-CB 3.98Å; L65-A391 HydrophobicContact CG-CB 4.42Å; L65-I419 HydrophobicContact CD2-CB 4.43Å; L65-I419 HydrophobicContact CD2-CG1 3.78Å; L65-M422 HydrophobicContact CD1-CE 4.47Å; L65-M422 HydrophobicContact CD1-SD 4.1Å; L65-M422 HydrophobicContact CD2-CE 4.32Å; L65-M437 HydrophobicContact CD1-CB 4.18Å; L65-M437 HydrophobicContact CD1-CG 3.31Å; L65-M437 HydrophobicContact CD2-CE 4.36Å; L65-M437 HydrophobicContact CD2-CG 4.15Å; L65-M437 HydrophobicContact CG-CG 3.76Å
66M97.7Very high96.6Very high0 Ų07.4 Ų7.40%04%0.041CC..Hα-helixtrans-60-45.8179.7-74.9-59.8-69.300111.6F57 K62 G63 H64 E68 V69 D70 C76 C77 F237 E387F57-M66 HydrophobicContact CD1-CE 3.47Å; F57-M66 VanDerWaalsContact CD1-CE 3.47Å; F57-M66 HydrophobicContact CD1-CG 4.31Å; F57-M66 HydrophobicContact CD1-SD 3.56Å; F57-M66 VanDerWaalsContact CD1-SD 3.56Å; F57-M66 HydrophobicContact CE1-CE 3.88Å; F57-M66 HydrophobicContact CE1-SD 3.86Å; F57-M66 HydrophobicContact CG-CE 4.24Å; K62-M66 WeakPolarHBondContact O-CG 3.4Å; K62-M66 PolarHBondContact O-N 2.82Å; G63-M66 PolarHBondContact O-N 3.22Å; H64-M66 VanDerWaalsContact C-N 3.31Å; H64-M66 PolarHBondContact O-N 2.95Å; M66-E68 VanDerWaalsContact C-N 3.27Å; M66-E68 PolarHBondContact O-N 3.2Å; M66-V69 WeakPolarHBondContact O-CB 3.21Å; M66-V69 PolarHBondContact O-N 3.37Å; M66-D70 PolarHBondContact O-N 3.04Å; M66-C76 HydrophobicContact CE-CB 3.48Å; M66-C76 VanDerWaalsContact CE-CB 3.48Å; M66-C76 HydrophobicContact SD-CB 4.22Å; M66-C77 HydrophobicContact CE-CB 4.42Å; M66-C77 WeakPolarHBondContact CE-SG 3.29Å; M66-C77 PolarHBondContact O-SG 2.84Å; M66-F237 HydrophobicContact CB-CD1 3.9Å; M66-F237 HydrophobicContact CB-CE1 4.01Å; M66-F237 HydrophobicContact CG-CE1 4.3Å; M66-E387 HydrophobicContact CG-CB 4.02Å; M66-E387 HydrophobicContact CG-CG 3.52Å; M66-E387 HydrophobicContact SD-CB 4.12Å; M66-E387 HydrophobicContact SD-CG 3.79Å
67R97.6Very high96.7Very high7 Ų76.9 Ų6.93%0.0264%0.037CC..Hα-helixtrans-63.6-33.8177.1-68.5-71.6-76.1-169.4-10.5112.6G63 H64 L65 D70 A71 F237 F239 P450 A453G63-R67 WeakPolarHBondContact O-CG 3.49Å; G63-R67 PolarHBondContact O-N 3.06Å; H64-R67 PolarHBondContact O-N 3.04Å; L65-R67 PolarHBondContact O-N 3.1Å; R67-D70 PolarHBondContact O-N 3.32Å; R67-A71 WeakPolarHBondContact O-CB 3.39Å; R67-A71 PolarHBondContact O-N 3.16Å; R67-F237 WeakPolarHBondContact CD-O 3.27Å; R67-F237 PolarHBondContact NH1-O 3.35Å; R67-F239 HydrophobicContact CB-CE2 4.25Å; R67-F239 VanDerWaalsContact CZ-CE1 3.42Å; R67-F239 VanDerWaalsContact NE-CZ 3.33Å; R67-P450 HydrophobicContact CB-CB 4.24Å; R67-P450 WeakPolarHBondContact CB-O 3.22Å; R67-P450 HydrophobicContact CG-CB 3.84Å; R67-P450 PolarHBondContact NE-O 3.01Å; R67-A453 HydrophobicContact CB-CB 3.99Å
68E98.4Very high96.6Very high0 Ų09.1 Ų9.10%05%0.046CC..Hα-helixtrans-72.2-38.3174.5-68.8179.2168.800112.9H64 L65 M66 D70 A71 L72 S417 Y418 I419 A453 R456 L457H64-E68 WeakPolarHBondContact O-CG 3.44Å; H64-E68 PolarHBondContact O-N 2.92Å; L65-E68 PolarHBondContact O-N 3.3Å; M66-E68 VanDerWaalsContact C-N 3.27Å; M66-E68 PolarHBondContact O-N 3.2Å; E68-D70 VanDerWaalsContact C-N 3.32Å; E68-D70 PolarHBondContact O-N 3.41Å; E68-A71 PolarHBondContact O-N 2.9Å; E68-L72 WeakPolarHBondContact O-CG 3.08Å; E68-L72 PolarHBondContact O-N 3.04Å; E68-L72 VanDerWaalsContact O-N 3.12Å; E68-S417 WeakPolarHBondContact OE1-CA 3.44Å; E68-S417 WeakPolarHBondContact OE1-CB 3.42Å; E68-S417 WeakPolarHBondContact OE2-CB 3.31Å; E68-Y418 PolarHBondContact OE1-N 3.42Å; E68-Y418 WeakPolarHBondContact OE2-CA 3.35Å; E68-Y418 WeakPolarHBondContact OE2-CB 3.18Å; E68-Y418 PolarHBondContact OE2-N 3.09Å; E68-I419 HydrophobicContact CB-CD1 3.68Å; E68-I419 HydrophobicContact CB-CG1 3.97Å; E68-I419 WeakPolarHBondContact OE2-CG1 3.24Å; E68-I419 PolarHBondContact OE2-N 3.11Å; E68-A453 HydrophobicContact CG-CB 3.9Å; E68-R456 IonicContact OE1-CZ 3.45Å; E68-R456 IonicContact OE1-NH1 2.82Å; E68-R456 PolarHBondContact OE1-NH1 2.99Å; E68-R456 IonicContact OE1-NH2 3.46Å; E68-R456 PolarHBondContact OE1-NH2 3.25Å; E68-L457 HydrophobicContact CB-CD1 3.58Å; E68-L457 HydrophobicContact CG-CD1 3.64Å
69V98.7Very high96.7Very high0 Ų09 Ų90%04%0.044CC..Hα-helixtrans-58.8-45.6170.4169.10000110L65 M66 L72 D73 G74 A391 I394 I419L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 2.98Å; M66-V69 WeakPolarHBondContact O-CB 3.21Å; M66-V69 PolarHBondContact O-N 3.37Å; V69-L72 CarbonylContact O-C 3.43Å; V69-L72 PolarHBondContact O-N 3.43Å; V69-D73 PolarHBondContact O-N 3.04Å; V69-G74 WeakPolarHBondContact O-CA 3.08Å; V69-G74 PolarHBondContact O-N 2.91Å; V69-A391 HydrophobicContact CG2-CB 3.95Å; V69-I394 HydrophobicContact CG1-CD1 4.24Å; V69-I394 HydrophobicContact CG2-CG2 4.19Å; V69-I419 HydrophobicContact CG2-CD1 4.26Å
70D98.5Very high96.9Very high0 Ų08.7 Ų8.70%04%0.041CC..Hα-helixtrans-64.5-40.4176.8-171.971.7000112.8M66 R67 E68 L72 D73 C77 S238 F239 R471M66-D70 PolarHBondContact O-N 3.04Å; R67-D70 PolarHBondContact O-N 3.32Å; E68-D70 VanDerWaalsContact C-N 3.32Å; E68-D70 PolarHBondContact O-N 3.41Å; D70-L72 PolarHBondContact O-N 2.99Å; D70-D73 VanDerWaalsContact O-CA 3.3Å; D70-D73 WeakPolarHBondContact O-CA 3.31Å; D70-D73 PolarHBondContact O-N 2.92Å; D70-C77 HydrophobicContact CB-CB 3.67Å; D70-S238 VanDerWaalsContact CG-OG 3.26Å; D70-S238 WeakPolarHBondContact OD1-CB 3.42Å; D70-S238 PolarHBondContact OD1-OG 2.67Å; D70-S238 WeakPolarHBondContact OD2-CA 3.36Å; D70-S238 PolarHBondContact OD2-OG 2.66Å; D70-F239 HydrophobicContact CB-CD2 4.41Å; D70-F239 WeakPolarHBondContact OD2-CB 3.21Å; D70-F239 VanDerWaalsContact OD2-CD2 3.27Å; D70-F239 WeakPolarHBondContact OD2-CD2 3.35Å; D70-F239 PolarHBondContact OD2-N 2.96Å; D70-R471 VanDerWaalsContact CG-NH1 3.28Å; D70-R471 PolarHBondContact O-NH1 3.16Å; D70-R471 IonicContact OD1-CZ 3.12Å; D70-R471 IonicContact OD1-NH1 3.6Å; D70-R471 PolarHBondContact OD1-NH1 3.17Å; D70-R471 IonicContact OD1-NH2 2.87Å; D70-R471 PolarHBondContact OD1-NH2 3.32Å; D70-R471 IonicContact OD2-CZ 3.81Å; D70-R471 IonicContact OD2-NH1 2.7Å; D70-R471 PolarHBondContact OD2-NH1 3.15Å; D70-R471 IonicContact OD2-NH2 3.57Å
71A98.5Very high97.2Very high0 Ų04.8 Ų4.80%02%0.021CC..Hα-helixtrans-59.7-31.5175.800000112.6R67 E68 D73 F239 A453 D454 L457 T458R67-A71 WeakPolarHBondContact O-CB 3.39Å; R67-A71 PolarHBondContact O-N 3.16Å; E68-A71 PolarHBondContact O-N 2.9Å; A71-D73 PolarHBondContact O-N 3.45Å; A71-F239 HydrophobicContact CB-CE2 4.47Å; A71-A453 HydrophobicContact CB-CB 4.3Å; A71-A453 WeakPolarHBondContact CB-O 3.43Å; A71-D454 HydrophobicContact CB-CB 4.46Å; A71-L457 HydrophobicContact CB-CB 3.96Å; A71-L457 HydrophobicContact CB-CD1 4.5Å; A71-T458 WeakPolarHBondContact O-CA 3.36Å; A71-T458 PolarHBondContact O-OG1 3.35Å
72L98.8Very high97.5Very high0 Ų08 Ų80%04%0.037CC..THydrogen-bonded Turntrans-8514.2171.9-63.4176.8000113.4E68 V69 D70 G74 I394 I395 F410 L412 I419 L457E68-L72 WeakPolarHBondContact O-CG 3.08Å; E68-L72 PolarHBondContact O-N 3.04Å; E68-L72 VanDerWaalsContact O-N 3.12Å; V69-L72 CarbonylContact O-C 3.43Å; V69-L72 PolarHBondContact O-N 3.43Å; D70-L72 PolarHBondContact O-N 2.99Å; L72-G74 VanDerWaalsContact C-N 3.34Å; L72-I394 HydrophobicContact CB-CD1 3.51Å; L72-I394 HydrophobicContact CB-CG1 4.17Å; L72-I394 HydrophobicContact CD1-CD1 4.5Å; L72-I394 HydrophobicContact CD1-CG1 4.49Å; L72-I394 HydrophobicContact CD1-CG2 4.23Å; L72-I395 HydrophobicContact CD1-CD1 3.92Å; L72-F410 HydrophobicContact CD1-CE1 4.2Å; L72-F410 HydrophobicContact CD2-CE1 3.82Å; L72-F410 HydrophobicContact CD2-CZ 3.69Å; L72-L412 HydrophobicContact CD1-CD1 4.11Å; L72-I419 HydrophobicContact CD1-CD1 4.12Å; L72-L457 HydrophobicContact CD2-CB 4.03Å; L72-L457 HydrophobicContact CG-CB 4.44Å
73D98.5Very high97.6Very high5 Ų56.5 Ų6.53%0.0273%0.03CC..THydrogen-bonded Turntrans67.128.5-179.7-159.310.4000114.3R33 V69 D70 A71 R78 V467 S468 R471R33-D73 IonicContact CZ-OD2 3.97Å; R33-D73 IonicContact NE-OD2 2.84Å; R33-D73 PolarHBondContact NH1-O 3.11Å; R33-D73 IonicContact NH1-OD2 3.18Å; R33-D73 PolarHBondContact NH2-O 2.93Å; V69-D73 PolarHBondContact O-N 3.04Å; D70-D73 VanDerWaalsContact O-CA 3.3Å; D70-D73 WeakPolarHBondContact O-CA 3.31Å; D70-D73 PolarHBondContact O-N 2.92Å; A71-D73 PolarHBondContact O-N 3.45Å; D73-R78 PolarHBondContact O-NH1 2.82Å; D73-R78 IonicContact OD1-CZ 3.44Å; D73-R78 IonicContact OD1-NH1 2.83Å; D73-R78 PolarHBondContact OD1-NH1 2.79Å; D73-V467 HydrophobicContact CB-CB 4.35Å; D73-V467 HydrophobicContact CB-CG1 4.5Å; D73-V467 HydrophobicContact CB-CG2 4.07Å; D73-S468 WeakPolarHBondContact OD2-CB 3.34Å; D73-S468 PolarHBondContact OD2-N 2.66Å; D73-S468 PolarHBondContact OD2-OG 3.2Å; D73-R471 VanDerWaalsContact CG-NE 3.27Å; D73-R471 IonicContact OD1-CZ 3.33Å; D73-R471 IonicContact OD1-NE 2.73Å; D73-R471 PolarHBondContact OD1-NE 2.71Å; D73-R471 IonicContact OD1-NH2 3Å; D73-R471 PolarHBondContact OD1-NH2 3.04Å
74G98.4Very high97.7Very high0 Ų06.5 Ų6.50%03%0.03CC..  trans-63.6165175.900000114.4E26 V69 L72 R78E26-G74 WeakPolarHBondContact OE2-CA 3.14Å; V69-G74 WeakPolarHBondContact O-CA 3.08Å; V69-G74 PolarHBondContact O-N 2.91Å; L72-G74 VanDerWaalsContact C-N 3.34Å; G74-R78 PolarHBondContact O-NH1 2.86Å
75L98.3Very high97.8Very high1 Ų16.4 Ų6.41%0.0053%0.03CC..SBendtrans-85.9-43.1-176.1-59.2-168.9000112.8E26 A29 C77 R78 I79 M114 E117 L118E26-L75 VanDerWaalsContact CD-N 3.29Å; E26-L75 PolarHBondContact OE1-N 3.01Å; E26-L75 PolarHBondContact OE2-N 2.9Å; A29-L75 HydrophobicContact CB-CD1 3.5Å; A29-L75 HydrophobicContact CB-CD2 4.03Å; A29-L75 HydrophobicContact CB-CG 3.67Å; L75-C77 VanDerWaalsContact C-N 3.29Å; L75-C77 PolarHBondContact O-N 3.28Å; L75-C77 VanDerWaalsContact O-N 3.11Å; L75-R78 PolarHBondContact O-N 2.83Å; L75-I79 WeakPolarHBondContact O-CG1 3.28Å; L75-I79 PolarHBondContact O-N 3Å; L75-M114 HydrophobicContact CB-CE 4.23Å; L75-M114 HydrophobicContact CB-SD 4.28Å; L75-M114 HydrophobicContact CD1-SD 3.97Å; L75-E117 HydrophobicContact CD1-CG 4.02Å; L75-E117 HydrophobicContact CD2-CG 3.83Å; L75-E117 HydrophobicContact CG-CG 4.47Å; L75-L118 HydrophobicContact CD1-CD2 3.76Å; L75-L118 HydrophobicContact CD1-CG 4.4Å
76C98Very high97.8Very high0 Ų06.4 Ų6.40%03%0.03CC..Hα-helixtrans-54.8-41.8-164.2-71.90000112.7E26 F57 M66 I79 C80 Y110 A390E26-C76 WeakPolarHBondContact OE1-CB 3.38Å; E26-C76 PolarHBondContact OE1-N 2.73Å; E26-C76 PolarHBondContact OE1-SG 3.4Å; F57-C76 HydrophobicContact CE1-CB 4.22Å; M66-C76 HydrophobicContact CE-CB 3.48Å; M66-C76 VanDerWaalsContact CE-CB 3.48Å; M66-C76 HydrophobicContact SD-CB 4.22Å; C76-I79 PolarHBondContact O-N 3.49Å; C76-C80 WeakPolarHBondContact O-CB 3.48Å; C76-C80 PolarHBondContact O-N 3.49Å; C76-C80 PolarHBondContact O-SG 3.35Å; C76-Y110 PolarHBondContact SG-OH 3.35Å; C76-Y110 VanDerWaalsContact SG-OH 3.38Å; C76-A390 HydrophobicContact CB-CB 4.49Å
77C97.5Very high97.7Very high0 Ų06.5 Ų6.50%03%0.03CC..Hα-helixtrans-65-45.2178.8-73.50000112.9M66 D70 L75 I79 C80 D81 F237M66-C77 HydrophobicContact CE-CB 4.42Å; M66-C77 WeakPolarHBondContact CE-SG 3.29Å; M66-C77 PolarHBondContact O-SG 2.84Å; D70-C77 HydrophobicContact CB-CB 3.67Å; L75-C77 VanDerWaalsContact C-N 3.29Å; L75-C77 PolarHBondContact O-N 3.28Å; L75-C77 VanDerWaalsContact O-N 3.11Å; C77-I79 VanDerWaalsContact C-N 3.3Å; C77-I79 PolarHBondContact O-N 3.01Å; C77-C80 WeakPolarHBondContact O-CB 3.38Å; C77-C80 PolarHBondContact O-N 3.31Å; C77-D81 PolarHBondContact O-N 2.77Å; C77-F237 HydrophobicContact CB-CB 3.87Å
78R96.6Very high97.6Very high46 Ų467.8 Ų7.817%0.1744%0.036CC..Hα-helixtrans-62.1-41.6176.8-60.7-164.3-60-107.324.8111.2D73 G74 L75 D81 L82 E117D73-R78 PolarHBondContact O-NH1 2.82Å; D73-R78 IonicContact OD1-CZ 3.44Å; D73-R78 IonicContact OD1-NH1 2.83Å; D73-R78 PolarHBondContact OD1-NH1 2.79Å; G74-R78 PolarHBondContact O-NH1 2.86Å; L75-R78 PolarHBondContact O-N 2.83Å; R78-D81 PolarHBondContact O-N 3.09Å; R78-L82 WeakPolarHBondContact O-CG 3.36Å; R78-L82 PolarHBondContact O-N 2.96Å; R78-E117 IonicContact CZ-OE1 3.02Å; R78-E117 IonicContact NE-OE1 3.22Å; R78-E117 IonicContact NH2-OE1 2.73Å; R78-E117 PolarHBondContact NH2-OE1 3.19Å
79I97.7Very high97.4Very high3 Ų38.4 Ų8.42%0.0154%0.04CC..Hα-helixtrans-69.2-38.1178.1-55.2-50.4000111.3L75 C76 C77 D81 L82 S83 Y110 H113 M114 E117L75-I79 WeakPolarHBondContact O-CG1 3.28Å; L75-I79 PolarHBondContact O-N 3Å; C76-I79 PolarHBondContact O-N 3.49Å; C77-I79 VanDerWaalsContact C-N 3.3Å; C77-I79 PolarHBondContact O-N 3.01Å; I79-D81 VanDerWaalsContact C-N 3.28Å; I79-D81 PolarHBondContact O-N 3.32Å; I79-L82 PolarHBondContact O-N 3.14Å; I79-L82 VanDerWaalsContact O-N 3.1Å; I79-S83 PolarHBondContact O-N 3.37Å; I79-S83 PolarHBondContact O-OG 3.24Å; I79-Y110 HydrophobicContact CB-CD2 4.28Å; I79-Y110 HydrophobicContact CB-CE2 3.97Å; I79-Y110 HydrophobicContact CG2-CD2 3.53Å; I79-Y110 HydrophobicContact CG2-CE2 3.65Å; I79-Y110 HydrophobicContact CG2-CG 4.01Å; I79-Y110 WeakPolarHBondContact CG2-O 3.07Å; I79-H113 HydrophobicContact CD1-CB 4.22Å; I79-H113 HydrophobicContact CG2-CB 3.85Å; I79-M114 HydrophobicContact CB-CE 4.28Å; I79-M114 HydrophobicContact CG1-CE 3.89Å; I79-M114 HydrophobicContact CG1-SD 4.33Å; I79-M114 HydrophobicContact CG2-CB 4.26Å; I79-E117 HydrophobicContact CD1-CB 4.03Å; I79-E117 HydrophobicContact CD1-CG 4.35Å
80C97.4Very high97.2Very high0 Ų010.9 Ų10.90%05%0.053CC..Hα-helixtrans-59.3-39.9172.8-71.20000111.7F57 C76 C77 L82 S83 G84 Y87 I105 F237F57-C80 WeakPolarHBondContact CD2-SG 3.26Å; F57-C80 WeakPolarHBondContact CG-SG 3.5Å; C76-C80 WeakPolarHBondContact O-CB 3.48Å; C76-C80 PolarHBondContact O-N 3.49Å; C76-C80 PolarHBondContact O-SG 3.35Å; C77-C80 WeakPolarHBondContact O-CB 3.38Å; C77-C80 PolarHBondContact O-N 3.31Å; C80-L82 PolarHBondContact O-N 2.95Å; C80-S83 PolarHBondContact O-N 2.77Å; C80-S83 VanDerWaalsContact O-N 3.17Å; C80-G84 PolarHBondContact O-N 3.35Å; C80-Y87 PolarHBondContact O-OH 3.14Å; C80-I105 HydrophobicContact CB-CD1 3.95Å; C80-F237 HydrophobicContact CB-CD2 4.09Å
81D97Very high97Very high2 Ų213.7 Ų13.71%0.0117%0.068CC..THydrogen-bonded Turntrans-69.7-12.4178-71.1-16000114.2C77 R78 I79 P236 F237 S238 N241 W245C77-D81 PolarHBondContact O-N 2.77Å; R78-D81 PolarHBondContact O-N 3.09Å; I79-D81 VanDerWaalsContact C-N 3.28Å; I79-D81 PolarHBondContact O-N 3.32Å; D81-P236 WeakPolarHBondContact OD1-CA 3.44Å; D81-P236 WeakPolarHBondContact OD2-CB 3.44Å; D81-F237 PolarHBondContact OD1-N 3.34Å; D81-F237 PolarHBondContact OD2-N 3.27Å; D81-S238 WeakPolarHBondContact OD2-CB 3.07Å; D81-S238 PolarHBondContact OD2-N 3.26Å; D81-N241 WeakPolarHBondContact CB-ND2 3.39Å; D81-N241 PolarHBondContact OD2-ND2 3.45Å; D81-W245 WeakPolarHBondContact O-CB 3.45Å; D81-W245 PolarHBondContact O-N 2.75Å
82L96.6Very high96.6Very high71 Ų7119.2 Ų19.237%0.3729%0.089SC..THydrogen-bonded Turntrans-103.5-2.1174.6-63.7175000113.4R78 I79 C80 W245R78-L82 WeakPolarHBondContact O-CG 3.36Å; R78-L82 PolarHBondContact O-N 2.96Å; I79-L82 PolarHBondContact O-N 3.14Å; I79-L82 VanDerWaalsContact O-N 3.1Å; C80-L82 PolarHBondContact O-N 2.95Å; L82-W245 HydrophobicContact CD2-CB 4.45Å
83S97.3Very high96.2Very high0 Ų030.9 Ų30.90%013%0.133CC..THydrogen-bonded Turntrans-138.4-3.8-172.755.80000114.1I79 C80 D106 Y110I79-S83 PolarHBondContact O-N 3.37Å; I79-S83 PolarHBondContact O-OG 3.24Å; C80-S83 PolarHBondContact O-N 2.77Å; C80-S83 VanDerWaalsContact O-N 3.17Å; S83-D106 PolarHBondContact O-N 3.14Å; S83-Y110 WeakPolarHBondContact OG-CD2 3.39Å
84G97.4Very high95.7Very high0 Ų037.4 Ų37.40%016%0.163CC..EExtended strand (participates in β ladder)trans-69.3134.5178.300000112C80 Y87 Q104 W245C80-G84 PolarHBondContact O-N 3.35Å; G84-Y87 VanDerWaalsContact CA-OH 3.24Å; G84-Y87 WeakPolarHBondContact CA-OH 3.43Å; G84-Y87 PolarHBondContact N-OH 3.12Å; G84-Q104 CarbonylContact C-O 3.4Å; G84-Q104 WeakPolarHBondContact CA-O 3.49Å; G84-W245 PolarHBondContact O-NE1 2.82Å
85C97.1Very high95.2Very high0 Ų038 Ų380%017%0.169CC..EExtended strand (participates in β ladder)trans-109.9-11177.762.60000112.9Q104 Q251 L252 F311C85-Q104 PolarHBondContact N-O 2.83Å; C85-Q104 VanDerWaalsContact SG-CB 3.56Å; C85-Q251 CarbonylContact O-C 3.48Å; C85-Q251 WeakPolarHBondContact O-CA 3.47Å; C85-Q251 WeakPolarHBondContact O-CB 3.38Å; C85-L252 HydrophobicContact CB-CB 4.46Å; C85-L252 HydrophobicContact CB-CD1 3.91Å; C85-L252 HydrophobicContact CB-CG 4.15Å; C85-L252 PolarHBondContact O-N 3.49Å; C85-F311 HydrophobicContact CB-CD2 4.35Å; C85-F311 HydrophobicContact CB-CE1 4.23Å; C85-F311 HydrophobicContact CB-CE2 3.54Å; C85-F311 HydrophobicContact CB-CZ 3.47Å; C85-F311 VanDerWaalsContact CB-CZ 3.47Å
86N97.2Very high94.7Very high0 Ų038.6 Ų38.60%017%0.173CC..EExtended strand (participates in β ladder)trans-155131173.2-178.1-62000108.7A103 Q104 G230 L252N86-A103 CarbonylContact O-C 3.54Å; N86-A103 WeakPolarHBondContact O-CA 3.4Å; N86-A103 VanDerWaalsContact O-CB 3.27Å; N86-A103 WeakPolarHBondContact O-CB 3.27Å; N86-Q104 HydrophobicContact CB-CB 3.87Å; N86-Q104 HydrophobicContact CB-CG 3.88Å; N86-Q104 PolarHBondContact N-O 2.8Å; N86-Q104 PolarHBondContact O-N 2.84Å; N86-G230 WeakPolarHBondContact ND2-CA 3.41Å; N86-G230 PolarHBondContact ND2-N 2.86Å; N86-G230 VanDerWaalsContact ND2-N 3.17Å; N86-L252 WeakPolarHBondContact CB-O 3.4Å; N86-L252 PolarHBondContact ND2-O 3.35Å
87Y97.1Very high94.3Very high2 Ų238.9 Ų38.91%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-121.1135.5-179.3-61.9-99.4000110.8C80 G84 A103 E231 P234 V244C80-Y87 PolarHBondContact O-OH 3.14Å; G84-Y87 VanDerWaalsContact CA-OH 3.24Å; G84-Y87 WeakPolarHBondContact CA-OH 3.43Å; G84-Y87 PolarHBondContact N-OH 3.12Å; Y87-A103 HydrophobicContact CD1-CB 3.67Å; Y87-A103 HydrophobicContact CE1-CB 3.9Å; Y87-A103 HydrophobicContact CG-CB 4.2Å; Y87-E231 PolarHBondContact O-N 3.33Å; Y87-P234 HydrophobicContact CD2-CB 3.94Å; Y87-P234 HydrophobicContact CG-CB 3.89Å; Y87-V244 HydrophobicContact CD1-CG1 3.84Å; Y87-V244 HydrophobicContact CD2-CB 4.41Å; Y87-V244 HydrophobicContact CD2-CG1 4.09Å; Y87-V244 HydrophobicContact CD2-CG2 4.34Å; Y87-V244 HydrophobicContact CE1-CB 4.27Å; Y87-V244 HydrophobicContact CE1-CG1 3.58Å; Y87-V244 HydrophobicContact CE2-CB 3.83Å; Y87-V244 HydrophobicContact CE2-CG1 3.84Å; Y87-V244 HydrophobicContact CE2-CG2 4.02Å; Y87-V244 HydrophobicContact CG-CG1 4.1Å
88Q95.3Very high93.9Very high33 Ų3341.2 Ų41.215%0.15419%0.189CC..EExtended strand (participates in β ladder)trans-146.8137.1178-67.8-178.8-3.800111.9R102 P229 E231Q88-R102 PolarHBondContact N-O 3.11Å; Q88-R102 PolarHBondContact O-N 2.83Å; Q88-P229 PolarHBondContact NE2-O 3.11Å; Q88-P229 VanDerWaalsContact NE2-O 3.1Å; Q88-E231 HydrophobicContact CG-CG 4.42Å
89I94.9Very high93.7Very high13 Ų1340.4 Ų40.47%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-90.3108.3163.1-57.9-56000110.1R92 W99 Y101 E231I89-R92 HydrophobicContact CG2-CB 4.38Å; I89-R92 HydrophobicContact CG2-CG 4.48Å; I89-W99 HydrophobicContact CG2-CB 3.77Å; I89-W99 HydrophobicContact CG2-CD2 3.8Å; I89-W99 HydrophobicContact CG2-CE3 4.1Å; I89-W99 HydrophobicContact CG2-CG 3.65Å; I89-Y101 HydrophobicContact CD1-CD1 3.54Å; I89-Y101 HydrophobicContact CD1-CD2 3.84Å; I89-Y101 HydrophobicContact CD1-CE1 3.72Å; I89-Y101 HydrophobicContact CD1-CE2 3.98Å; I89-Y101 HydrophobicContact CD1-CG 3.6Å; I89-E231 PolarHBondContact N-OE2 3.16Å
90L94.3Very high93.6Very high52 Ų5240.3 Ų40.327%0.27219%0.185SC..EExtended strand (participates in β ladder)trans-69.1149.4173-55.1-172.9000110.8I60 R92 W99 G100 R102I60-L90 HydrophobicContact CG1-CD1 4.34Å; L90-R92 PolarHBondContact O-N 3.32Å; L90-W99 WeakPolarHBondContact O-CA 3.35Å; L90-G100 WeakPolarHBondContact CB-O 3.34Å; L90-G100 WeakPolarHBondContact CG-O 3.37Å; L90-G100 PolarHBondContact N-O 3.49Å; L90-G100 PolarHBondContact O-N 2.86Å; L90-R102 HydrophobicContact CD1-CB 4.49Å; L90-R102 HydrophobicContact CG-CB 4.22Å
91N92.8Very high93.5Very high59 Ų5940.4 Ų40.432%0.31619%0.186SC..THydrogen-bonded Turntrans57.229.3-178.8-63.4-23.5000114.7I60 R93 H94 V98I60-N91 VanDerWaalsContact CD1-ND2 3.33Å; I60-N91 WeakPolarHBondContact CD1-ND2 3.48Å; N91-R93 PolarHBondContact O-N 3.01Å; N91-R93 VanDerWaalsContact O-N 3.08Å; N91-H94 HydrophobicContact CB-CB 4.36Å; N91-H94 PolarHBondContact O-N 2.92Å; N91-V98 HydrophobicContact CB-CG2 4.13Å; N91-V98 WeakPolarHBondContact CB-O 3.29Å; N91-V98 PolarHBondContact ND2-O 3.08Å
92R90.3Very high93.5Very high117 Ų11742 Ų4244%0.44219%0.192SC..G310 helixtrans-50.8-38.9-176.9-163.7163.9-175.8131.93.3113.6I89 L90 H94 W99 E231I89-R92 HydrophobicContact CG2-CB 4.38Å; I89-R92 HydrophobicContact CG2-CG 4.48Å; L90-R92 PolarHBondContact O-N 3.32Å; R92-H94 VanDerWaalsContact C-N 3.32Å; R92-H94 PolarHBondContact O-N 3.02Å; R92-W99 PolarHBondContact O-NE1 2.77Å; R92-E231 WeakPolarHBondContact CD-OE1 3.41Å; R92-E231 IonicContact CZ-OE1 2.79Å; R92-E231 IonicContact NE-OE1 3.19Å; R92-E231 VanDerWaalsContact NH1-CD 3.25Å; R92-E231 IonicContact NH1-OE1 2.76Å; R92-E231 PolarHBondContact NH1-OE1 3.4Å; R92-E231 IonicContact NH1-OE2 3.21Å; R92-E231 PolarHBondContact NH1-OE2 3.1Å
93R90.2Very high93.5Very high245 Ų24538.6 Ų38.693%0.92517%0.174SC*.G310 helixtrans-75-10.2-180-62.4-175.7-177.7179.70.4115.4N91N91-R93 PolarHBondContact O-N 3.01Å; N91-R93 VanDerWaalsContact O-N 3.08Å
94H89.2Confident93.5Very high142 Ų14238.6 Ų38.666%0.65717%0.174SC*.G310 helixtrans-101.27.5-175.4-63.2-65.5000113.8N91 R92 V98N91-H94 HydrophobicContact CB-CB 4.36Å; N91-H94 PolarHBondContact O-N 2.92Å; R92-H94 VanDerWaalsContact C-N 3.32Å; R92-H94 PolarHBondContact O-N 3.02Å; H94-V98 HydrophobicContact CB-CG2 3.46Å; H94-V98 VanDerWaalsContact CB-CG2 3.46Å; H94-V98 WeakPolarHBondContact O-CG2 3.46Å
95G87.8Confident93.6Very high13 Ų1338.6 Ų38.613%0.13417%0.174CC..  trans90.7157.7175.900000114.7A97 V98 W99 Y560G95-A97 VanDerWaalsContact C-N 3.26Å; G95-A97 PolarHBondContact O-N 3.24Å; G95-A97 VanDerWaalsContact O-N 3.12Å; G95-V98 WeakPolarHBondContact O-CG2 3.28Å; G95-V98 PolarHBondContact O-N 2.95Å; G95-W99 VanDerWaalsContact C-CD1 3.5Å; G95-W99 VanDerWaalsContact C-NE1 3.3Å; G95-W99 PolarHBondContact O-NE1 3Å; G95-Y560 VanDerWaalsContact C-OH 3.29Å; G95-Y560 WeakPolarHBondContact CA-OH 3.33Å
96P88Confident93.6Very high13 Ų1339 Ų398%0.08418%0.176CC..G310 helixtrans-56-31.4-169.8-21.926.1000115.8V98 W99 M556 Y560P96-V98 PolarHBondContact O-N 2.82Å; P96-V98 VanDerWaalsContact O-N 3.17Å; P96-W99 HydrophobicContact CB-CD2 4.29Å; P96-W99 HydrophobicContact CB-CE3 4.43Å; P96-W99 HydrophobicContact CG-CH2 4.43Å; P96-W99 HydrophobicContact CG-CZ2 4.17Å; P96-W99 PolarHBondContact O-N 3.34Å; P96-M556 HydrophobicContact CB-CB 4.45Å; P96-M556 HydrophobicContact CB-CE 4.35Å; P96-M556 HydrophobicContact CB-CG 4.01Å; P96-M556 HydrophobicContact CB-SD 4.07Å; P96-M556 HydrophobicContact CG-CB 4.11Å; P96-M556 HydrophobicContact CG-CE 4.21Å; P96-M556 HydrophobicContact CG-CG 3.54Å; P96-M556 HydrophobicContact CG-SD 4.17Å; P96-Y560 HydrophobicContact CB-CE2 3.99Å; P96-Y560 WeakPolarHBondContact CD-OH 3.36Å; P96-Y560 HydrophobicContact CG-CE2 3.91Å
97A88Confident93.6Very high5 Ų540.2 Ų40.24%0.04118%0.181CC..G310 helixtrans-60.4-29-178.100000113.6H64 G95 I446 R449 Y560H64-A97 PolarHBondContact NE2-O 3Å; G95-A97 VanDerWaalsContact C-N 3.26Å; G95-A97 PolarHBondContact O-N 3.24Å; G95-A97 VanDerWaalsContact O-N 3.12Å; A97-I446 HydrophobicContact CB-CG1 4.22Å; A97-R449 HydrophobicContact CB-CG 4.33Å; A97-Y560 HydrophobicContact CB-CE1 4.41Å; A97-Y560 HydrophobicContact CB-CE2 4.15Å; A97-Y560 PolarHBondContact N-OH 2.82Å
98V89.9Confident93.6Very high49 Ų4947 Ų4730%0.29721%0.21SC..G310 helixtrans-111.27.9-176.5-62.30000113.5N91 H94 G95 P96 G100N91-V98 HydrophobicContact CB-CG2 4.13Å; N91-V98 WeakPolarHBondContact CB-O 3.29Å; N91-V98 PolarHBondContact ND2-O 3.08Å; H94-V98 HydrophobicContact CB-CG2 3.46Å; H94-V98 VanDerWaalsContact CB-CG2 3.46Å; H94-V98 WeakPolarHBondContact O-CG2 3.46Å; G95-V98 WeakPolarHBondContact O-CG2 3.28Å; G95-V98 PolarHBondContact O-N 2.95Å; P96-V98 PolarHBondContact O-N 2.82Å; P96-V98 VanDerWaalsContact O-N 3.17Å; V98-G100 PolarHBondContact O-N 3.12Å
99W93Very high93.7Very high30 Ų3047.1 Ų47.111%0.11421%0.212CC..  trans-62.3127.7176.8-74.82.4000111.1H64 I89 L90 R92 G95 P96 P450 M556H64-W99 PolarHBondContact CE1-O 2.84Å; I89-W99 HydrophobicContact CG2-CB 3.77Å; I89-W99 HydrophobicContact CG2-CD2 3.8Å; I89-W99 HydrophobicContact CG2-CE3 4.1Å; I89-W99 HydrophobicContact CG2-CG 3.65Å; L90-W99 WeakPolarHBondContact O-CA 3.35Å; R92-W99 PolarHBondContact O-NE1 2.77Å; G95-W99 VanDerWaalsContact C-CD1 3.5Å; G95-W99 VanDerWaalsContact C-NE1 3.3Å; G95-W99 PolarHBondContact O-NE1 3Å; P96-W99 HydrophobicContact CB-CD2 4.29Å; P96-W99 HydrophobicContact CB-CE3 4.43Å; P96-W99 HydrophobicContact CG-CH2 4.43Å; P96-W99 HydrophobicContact CG-CZ2 4.17Å; P96-W99 PolarHBondContact O-N 3.34Å; W99-P450 HydrophobicContact CB-CG 4.34Å; W99-M556 HydrophobicContact CE3-CE 4.14Å; W99-M556 HydrophobicContact CH2-CE 3.3Å; W99-M556 HydrophobicContact CZ2-CE 4.39Å; W99-M556 HydrophobicContact CZ3-CE 3.15Å
100G94.3Very high93.9Very high0 Ų046.5 Ų46.50%021%0.209CC..EExtended strand (participates in β ladder)trans-10796.3174.700000110.1G59 L90 V98 R102G59-G100 WeakPolarHBondContact O-CA 3.41Å; L90-G100 WeakPolarHBondContact CB-O 3.34Å; L90-G100 WeakPolarHBondContact CG-O 3.37Å; L90-G100 PolarHBondContact N-O 3.49Å; L90-G100 PolarHBondContact O-N 2.86Å; V98-G100 PolarHBondContact O-N 3.12Å; G100-R102 PolarHBondContact O-N 3.24Å
101Y95.9Very high94.1Very high2 Ų245.7 Ų45.71%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-58.5125.3172.3-77.6-114.2000109.1G58 G59 I89 T235 P450G58-Y101 CarbonylContact C-O 3.53Å; G58-Y101 WeakPolarHBondContact CA-O 3.4Å; G59-Y101 PolarHBondContact N-O 3.45Å; I89-Y101 HydrophobicContact CD1-CD1 3.54Å; I89-Y101 HydrophobicContact CD1-CD2 3.84Å; I89-Y101 HydrophobicContact CD1-CE1 3.72Å; I89-Y101 HydrophobicContact CD1-CE2 3.98Å; I89-Y101 HydrophobicContact CD1-CG 3.6Å; Y101-T235 HydrophobicContact CE1-CG2 3.63Å; Y101-P450 HydrophobicContact CD2-CB 3.8Å; Y101-P450 HydrophobicContact CD2-CG 3.94Å; Y101-P450 HydrophobicContact CE2-CB 3.72Å; Y101-P450 HydrophobicContact CE2-CG 3.69Å
102R97Very high94.3Very high35 Ų3549.1 Ų49.113%0.13222%0.215CC..EExtended strand (participates in β ladder)trans-140.4139.4-179.3-175.1177.1-177-78.9-3110.3F57 Q88 L90 G100 E307F57-R102 CarbonylContact O-C 3.6Å; F57-R102 WeakPolarHBondContact O-CA 3.4Å; Q88-R102 PolarHBondContact N-O 3.11Å; Q88-R102 PolarHBondContact O-N 2.83Å; L90-R102 HydrophobicContact CD1-CB 4.49Å; L90-R102 HydrophobicContact CG-CB 4.22Å; G100-R102 PolarHBondContact O-N 3.24Å; R102-E307 IonicContact NH2-OE1 3.99Å; R102-E307 PolarHBondContact NH2-OE1 3.19Å; R102-E307 IonicContact NH2-OE2 3.74Å; R102-E307 PolarHBondContact NH2-OE2 2.83Å; R102-E307 VanDerWaalsContact NH2-OE2 3.1Å
103A97.3Very high94.7Very high0 Ų045.8 Ų45.80%020%0.204CC..EExtended strand (participates in β ladder)trans-135.5145.8163.500000111.8S56 F57 N86 Y87 I105 F237S56-A103 CarbonylContact C-O 3.55Å; S56-A103 WeakPolarHBondContact CA-O 3.08Å; S56-A103 VanDerWaalsContact CB-O 3.29Å; S56-A103 WeakPolarHBondContact CB-O 3.5Å; F57-A103 PolarHBondContact N-O 2.68Å; F57-A103 PolarHBondContact O-N 3.29Å; N86-A103 CarbonylContact O-C 3.54Å; N86-A103 WeakPolarHBondContact O-CA 3.4Å; N86-A103 VanDerWaalsContact O-CB 3.27Å; N86-A103 WeakPolarHBondContact O-CB 3.27Å; Y87-A103 HydrophobicContact CD1-CB 3.67Å; Y87-A103 HydrophobicContact CE1-CB 3.9Å; Y87-A103 HydrophobicContact CG-CB 4.2Å; A103-I105 HydrophobicContact CB-CD1 3.92Å; A103-F237 HydrophobicContact CB-CD2 4.43Å; A103-F237 HydrophobicContact CB-CE2 3.61Å
104Q97.9Very high95.1Very high0 Ų034.1 Ų34.10%016%0.16CC..EExtended strand (participates in β ladder)trans-76.9141.3156.7-58.6-64.77.500109.1P55 G84 C85 N86 C254 E307P55-Q104 WeakPolarHBondContact O-CA 3.37Å; P55-Q104 PolarHBondContact O-OE1 2.83Å; P55-Q104 VanDerWaalsContact O-OE1 3.06Å; G84-Q104 CarbonylContact C-O 3.4Å; G84-Q104 WeakPolarHBondContact CA-O 3.49Å; C85-Q104 PolarHBondContact N-O 2.83Å; C85-Q104 VanDerWaalsContact SG-CB 3.56Å; N86-Q104 HydrophobicContact CB-CB 3.87Å; N86-Q104 HydrophobicContact CB-CG 3.88Å; N86-Q104 PolarHBondContact N-O 2.8Å; N86-Q104 PolarHBondContact O-N 2.84Å; Q104-C254 PolarHBondContact NE2-SG 2.89Å; Q104-C254 VanDerWaalsContact NE2-SG 3.36Å; Q104-E307 VanDerWaalsContact NE2-CG 3.32Å; Q104-E307 PolarHBondContact NE2-OE2 3.49Å; Q104-E307 PolarHBondContact OE1-OE2 2.91Å
105I98Very high95.5Very high0 Ų028.8 Ų28.80%014%0.135CC..EExtended strand (participates in β ladder)trans-123.9129.9-170.5-59.3-55.7000108.7M51 P55 F57 C80 A103 R107 Y110M51-I105 HydrophobicContact CE-CB 4.1Å; M51-I105 HydrophobicContact CE-CG1 4.35Å; M51-I105 HydrophobicContact CE-CG2 4.41Å; M51-I105 HydrophobicContact SD-CB 3.99Å; M51-I105 HydrophobicContact SD-CG2 3.7Å; P55-I105 PolarHBondContact O-N 3.12Å; F57-I105 HydrophobicContact CB-CG1 4.4Å; F57-I105 HydrophobicContact CD2-CG1 4.02Å; C80-I105 HydrophobicContact CB-CD1 3.95Å; A103-I105 HydrophobicContact CB-CD1 3.92Å; I105-R107 PolarHBondContact O-N 3.13Å; I105-Y110 VanDerWaalsContact CG2-CB 3.49Å; I105-Y110 HydrophobicContact CG2-CD2 3.83Å; I105-Y110 HydrophobicContact CG2-CG 3.93Å
106D98Very high96Very high8 Ų834.4 Ų34.44%0.04316%0.156CC..  trans-68113164.5-177.4-53000108.8S83 K108 L109 Y110 G310 F311S83-D106 PolarHBondContact O-N 3.14Å; D106-K108 VanDerWaalsContact C-N 3.26Å; D106-K108 PolarHBondContact O-N 3.16Å; D106-K108 WeakPolarHBondContact OD1-CA 3.48Å; D106-K108 WeakPolarHBondContact OD1-CB 3.49Å; D106-K108 PolarHBondContact OD1-N 2.91Å; D106-L109 HydrophobicContact CB-CB 4Å; D106-L109 HydrophobicContact CB-CD1 3.91Å; D106-L109 HydrophobicContact CB-CG 4.02Å; D106-L109 PolarHBondContact O-N 2.93Å; D106-L109 PolarHBondContact OD1-N 2.8Å; D106-Y110 WeakPolarHBondContact O-CB 3.02Å; D106-Y110 PolarHBondContact O-N 2.99Å; D106-G310 VanDerWaalsContact CG-CA 3.49Å; D106-G310 WeakPolarHBondContact OD2-CA 3.42Å; D106-F311 HydrophobicContact CB-CD2 4.29Å; D106-F311 PolarHBondContact OD2-N 2.95Å
107R97.3Very high96.5Very high27 Ų2736.8 Ų36.810%0.10217%0.166CC..Hα-helixtrans-59.5-38.5-175.4-64.6-170.3-166.7-81.5-7.3112.3M51 C53 P55 I105 K111 E309M51-R107 HydrophobicContact CB-CG 4.41Å; M51-R107 VanDerWaalsContact CB-NH1 3.26Å; M51-R107 PolarHBondContact O-NH1 2.85Å; C53-R107 VanDerWaalsContact O-CZ 3.28Å; C53-R107 PolarHBondContact O-NH1 3.44Å; C53-R107 PolarHBondContact O-NH2 2.83Å; P55-R107 HydrophobicContact CB-CG 4.29Å; I105-R107 PolarHBondContact O-N 3.13Å; R107-K111 VanDerWaalsContact O-CB 3.27Å; R107-K111 WeakPolarHBondContact O-CB 3.41Å; R107-K111 PolarHBondContact O-N 3.12Å; R107-E309 IonicContact CZ-OE1 2.78Å; R107-E309 IonicContact CZ-OE2 3.32Å; R107-E309 PolarHBondContact N-O 2.97Å; R107-E309 VanDerWaalsContact N-O 3.08Å; R107-E309 IonicContact NE-OE1 3.53Å; R107-E309 PolarHBondContact NE-OE1 3.44Å; R107-E309 IonicContact NE-OE2 2.94Å; R107-E309 PolarHBondContact NE-OE2 3.31Å; R107-E309 IonicContact NH2-OE1 3.79Å; R107-E309 PolarHBondContact NH2-OE1 2.9Å; R107-E309 IonicContact NH2-OE2 3.85Å
108K97.1Very high97Very high145 Ų14536.5 Ų36.563%0.6316%0.164SC*.Hα-helixtrans-71.1-44.5-176.2-176.4-177.2176.9-173.70109.9D106 K112D106-K108 VanDerWaalsContact C-N 3.26Å; D106-K108 PolarHBondContact O-N 3.16Å; D106-K108 WeakPolarHBondContact OD1-CA 3.48Å; D106-K108 WeakPolarHBondContact OD1-CB 3.49Å; D106-K108 PolarHBondContact OD1-N 2.91Å; K108-K112 VanDerWaalsContact O-CB 3.28Å; K108-K112 WeakPolarHBondContact O-CB 3.42Å; K108-K112 PolarHBondContact O-N 3.32Å
109L97.8Very high97.4Very high35 Ų3539.4 Ų39.418%0.18318%0.177CC..Hα-helixtrans-63.9-47.9175.6-66.3-179.2000111.2D106 K111 K112 H113 W245 F311D106-L109 HydrophobicContact CB-CB 4Å; D106-L109 HydrophobicContact CB-CD1 3.91Å; D106-L109 HydrophobicContact CB-CG 4.02Å; D106-L109 PolarHBondContact O-N 2.93Å; D106-L109 PolarHBondContact OD1-N 2.8Å; L109-K111 VanDerWaalsContact C-N 3.32Å; L109-K111 PolarHBondContact O-N 3.21Å; L109-K112 PolarHBondContact O-N 2.9Å; L109-H113 WeakPolarHBondContact O-CB 3.08Å; L109-H113 PolarHBondContact O-CD2 2.87Å; L109-H113 PolarHBondContact O-N 3.49Å; L109-W245 HydrophobicContact CD1-CH2 3.5Å; L109-W245 VanDerWaalsContact CD1-CH2 3.5Å; L109-W245 HydrophobicContact CD1-CZ2 3.57Å; L109-F311 HydrophobicContact CD1-CD2 4.28Å; L109-F311 HydrophobicContact CD1-CE2 4.42Å
110Y98.3Very high97.6Very high0 Ų043.4 Ų43.40%020%0.201CC..Hα-helixtrans-55.7-49.6179.1-177.2-88.6000111.4H22 G49 M51 F57 C76 I79 S83 I105 D106 K112 H113 M114H22-Y110 PolarHBondContact CD2-OH 2.88Å; H22-Y110 AromaticContact NE2-CE1 3.86Å; G49-Y110 WeakPolarHBondContact O-CD1 3.47Å; G49-Y110 WeakPolarHBondContact O-CE1 3.5Å; M51-Y110 HydrophobicContact CG-CD1 4.23Å; M51-Y110 HydrophobicContact SD-CD1 4.31Å; M51-Y110 HydrophobicContact SD-CG 4.24Å; F57-Y110 HydrophobicContact CD2-CE2 4.23Å; F57-Y110 HydrophobicContact CE2-CD2 4.25Å; F57-Y110 HydrophobicContact CE2-CE1 4.27Å; F57-Y110 AromaticContact CE2-CE2 3.56Å; F57-Y110 HydrophobicContact CE2-CE2 3.56Å; F57-Y110 AromaticContact CE2-CZ 3.58Å; F57-Y110 HydrophobicContact CZ-CE2 4.08Å; F57-Y110 AromaticContact CZ-CZ 3.77Å; F57-Y110 VanDerWaalsContact CZ-OH 3.31Å; F57-Y110 WeakPolarHBondContact CZ-OH 3.4Å; C76-Y110 PolarHBondContact SG-OH 3.35Å; C76-Y110 VanDerWaalsContact SG-OH 3.38Å; I79-Y110 HydrophobicContact CB-CD2 4.28Å; I79-Y110 HydrophobicContact CB-CE2 3.97Å; I79-Y110 HydrophobicContact CG2-CD2 3.53Å; I79-Y110 HydrophobicContact CG2-CE2 3.65Å; I79-Y110 HydrophobicContact CG2-CG 4.01Å; I79-Y110 WeakPolarHBondContact CG2-O 3.07Å; S83-Y110 WeakPolarHBondContact OG-CD2 3.39Å; I105-Y110 VanDerWaalsContact CG2-CB 3.49Å; I105-Y110 HydrophobicContact CG2-CD2 3.83Å; I105-Y110 HydrophobicContact CG2-CG 3.93Å; D106-Y110 WeakPolarHBondContact O-CB 3.02Å; D106-Y110 PolarHBondContact O-N 2.99Å; Y110-K112 PolarHBondContact O-N 3.49Å; Y110-H113 PolarHBondContact O-N 3.12Å; Y110-M114 HydrophobicContact CE1-CB 4.47Å; Y110-M114 HydrophobicContact CE1-CE 4.1Å; Y110-M114 VanDerWaalsContact O-CB 3.3Å; Y110-M114 WeakPolarHBondContact O-CB 3.38Å; Y110-M114 PolarHBondContact O-N 3.35Å; Y110-M114 WeakPolarHBondContact OH-CE 3.36Å
111K97.5Very high97.8Very high35 Ų3544.4 Ų44.415%0.15221%0.207CC..Hα-helixtrans-60.5-48.3179.3-173163.778.8164.20112.3E46 V48 E50 R107 L109 H113 M114 Q115E46-K111 VanDerWaalsContact O-CD 3.24Å; E46-K111 WeakPolarHBondContact O-CD 3.24Å; E46-K111 WeakPolarHBondContact O-CE 3.3Å; E46-K111 PolarHBondContact O-NZ 3.28Å; V48-K111 WeakPolarHBondContact O-CG 3.19Å; E50-K111 VanDerWaalsContact OE2-CD 3.25Å; E50-K111 WeakPolarHBondContact OE2-CD 3.37Å; E50-K111 IonicContact OE2-NZ 3.08Å; E50-K111 PolarHBondContact OE2-NZ 3.47Å; R107-K111 VanDerWaalsContact O-CB 3.27Å; R107-K111 WeakPolarHBondContact O-CB 3.41Å; R107-K111 PolarHBondContact O-N 3.12Å; L109-K111 VanDerWaalsContact C-N 3.32Å; L109-K111 PolarHBondContact O-N 3.21Å; K111-H113 VanDerWaalsContact C-N 3.35Å; K111-H113 PolarHBondContact O-N 2.89Å; K111-M114 PolarHBondContact O-N 2.92Å; K111-Q115 HydrophobicContact CG-CG 4.47Å; K111-Q115 WeakPolarHBondContact O-CB 3.42Å; K111-Q115 VanDerWaalsContact O-CG 3.27Å; K111-Q115 WeakPolarHBondContact O-CG 3.33Å; K111-Q115 PolarHBondContact O-N 3.13Å
112K97.9Very high97.9Very high130 Ų13049 Ų4957%0.56524%0.237SC*.Hα-helixtrans-56.8-47.7177178.2-173.5177.2-1740111.6K108 L109 Y110 K116K108-K112 VanDerWaalsContact O-CB 3.28Å; K108-K112 WeakPolarHBondContact O-CB 3.42Å; K108-K112 PolarHBondContact O-N 3.32Å; L109-K112 PolarHBondContact O-N 2.9Å; Y110-K112 PolarHBondContact O-N 3.49Å; K112-K116 WeakPolarHBondContact O-CB 3.42Å; K112-K116 PolarHBondContact O-N 3.28Å
113H98.2Very high97.9Very high48 Ų4851.6 Ų51.622%0.22225%0.254CS..Hα-helixtrans-70.5-40.6-178.2-76.9-70.8000112.1I79 L109 Y110 K111 K116 E117I79-H113 HydrophobicContact CD1-CB 4.22Å; I79-H113 HydrophobicContact CG2-CB 3.85Å; L109-H113 WeakPolarHBondContact O-CB 3.08Å; L109-H113 PolarHBondContact O-CD2 2.87Å; L109-H113 PolarHBondContact O-N 3.49Å; Y110-H113 PolarHBondContact O-N 3.12Å; K111-H113 VanDerWaalsContact C-N 3.35Å; K111-H113 PolarHBondContact O-N 2.89Å; H113-K116 PolarHBondContact O-N 3.23Å; H113-E117 WeakPolarHBondContact O-CB 3.43Å; H113-E117 PolarHBondContact O-N 3.29Å
114M98.5Very high98Very high0 Ų052.5 Ų52.50%026%0.258CS..Hα-helixtrans-60.7-48.5174.5-177.361.173.100111.7C25 L75 I79 Y110 K111 K116 E117 L118C25-M114 HydrophobicContact CB-CE 4.42Å; C25-M114 HydrophobicContact CB-SD 3.81Å; L75-M114 HydrophobicContact CB-CE 4.23Å; L75-M114 HydrophobicContact CB-SD 4.28Å; L75-M114 HydrophobicContact CD1-SD 3.97Å; I79-M114 HydrophobicContact CB-CE 4.28Å; I79-M114 HydrophobicContact CG1-CE 3.89Å; I79-M114 HydrophobicContact CG1-SD 4.33Å; I79-M114 HydrophobicContact CG2-CB 4.26Å; Y110-M114 HydrophobicContact CE1-CB 4.47Å; Y110-M114 HydrophobicContact CE1-CE 4.1Å; Y110-M114 VanDerWaalsContact O-CB 3.3Å; Y110-M114 WeakPolarHBondContact O-CB 3.38Å; Y110-M114 PolarHBondContact O-N 3.35Å; Y110-M114 WeakPolarHBondContact OH-CE 3.36Å; K111-M114 PolarHBondContact O-N 2.92Å; M114-K116 VanDerWaalsContact C-N 3.35Å; M114-K116 PolarHBondContact O-N 2.91Å; M114-E117 PolarHBondContact O-N 3.19Å; M114-L118 HydrophobicContact CG-CD1 4.18Å; M114-L118 WeakPolarHBondContact O-CG 3.41Å; M114-L118 PolarHBondContact O-N 3.17Å; M114-L118 HydrophobicContact SD-CD1 4.34Å; M114-L118 HydrophobicContact SD-CG 4.41Å
115Q98.5Very high98Very high29 Ų2955.1 Ų55.114%0.13628%0.277CS..Hα-helixtrans-61.1-43.8177.9-74.6170.4-3.600111.7F45 E46 V48 K111 L118 L119F45-Q115 HydrophobicContact CE1-CB 4.34Å; F45-Q115 HydrophobicContact CE1-CG 4.37Å; F45-Q115 HydrophobicContact CE2-CB 4.4Å; F45-Q115 HydrophobicContact CE2-CG 4.25Å; F45-Q115 HydrophobicContact CZ-CB 3.75Å; F45-Q115 HydrophobicContact CZ-CG 3.92Å; F45-Q115 PolarHBondContact O-NE2 2.86Å; F45-Q115 VanDerWaalsContact O-NE2 3.1Å; E46-Q115 VanDerWaalsContact C-NE2 3.31Å; E46-Q115 PolarHBondContact O-NE2 2.97Å; V48-Q115 HydrophobicContact CB-CG 4.23Å; V48-Q115 PolarHBondContact O-NE2 2.91Å; K111-Q115 HydrophobicContact CG-CG 4.47Å; K111-Q115 WeakPolarHBondContact O-CB 3.42Å; K111-Q115 VanDerWaalsContact O-CG 3.27Å; K111-Q115 WeakPolarHBondContact O-CG 3.33Å; K111-Q115 PolarHBondContact O-N 3.13Å; Q115-L118 PolarHBondContact O-N 3.45Å; Q115-L119 VanDerWaalsContact O-CG 3.32Å; Q115-L119 WeakPolarHBondContact O-CG 3.49Å; Q115-L119 PolarHBondContact O-N 3.41Å
116K98.4Very high98Very high131 Ų13157 Ų5757%0.5729%0.286SS*.Hα-helixtrans-60.9-44.8176-176.9-179177.3-174.20111.7K112 H113 M114 N120K112-K116 WeakPolarHBondContact O-CB 3.42Å; K112-K116 PolarHBondContact O-N 3.28Å; H113-K116 PolarHBondContact O-N 3.23Å; M114-K116 VanDerWaalsContact C-N 3.35Å; M114-K116 PolarHBondContact O-N 2.91Å; K116-N120 PolarHBondContact O-N 3.24Å; K116-N120 PolarHBondContact O-ND2 2.97Å
117E98.1Very high98Very high63 Ų6360.9 Ų60.929%0.29430%0.304SS..Hα-helixtrans-61.5-46.7179.2-176.175170.500111.1L75 R78 I79 H113 M114 L119 N120 T121L75-E117 HydrophobicContact CD1-CG 4.02Å; L75-E117 HydrophobicContact CD2-CG 3.83Å; L75-E117 HydrophobicContact CG-CG 4.47Å; R78-E117 IonicContact CZ-OE1 3.02Å; R78-E117 IonicContact NE-OE1 3.22Å; R78-E117 IonicContact NH2-OE1 2.73Å; R78-E117 PolarHBondContact NH2-OE1 3.19Å; I79-E117 HydrophobicContact CD1-CB 4.03Å; I79-E117 HydrophobicContact CD1-CG 4.35Å; H113-E117 WeakPolarHBondContact O-CB 3.43Å; H113-E117 PolarHBondContact O-N 3.29Å; M114-E117 PolarHBondContact O-N 3.19Å; E117-L119 PolarHBondContact O-N 3.07Å; E117-N120 CarbonylContact O-C 3.54Å; E117-N120 PolarHBondContact O-N 2.88Å; E117-T121 PolarHBondContact O-N 2.84Å; E117-T121 VanDerWaalsContact O-N 3.08Å; E117-T121 PolarHBondContact O-OG1 3.04Å
118L98.5Very high97.9Very high0 Ų065.5 Ų65.50%033%0.327CS..Hα-helixtrans-63.8-42.8179.9-67.7170.7000112.4C25 L40 V48 L75 M114 Q115 N120 T121 L124 I126C25-L118 HydrophobicContact CB-CD1 4.25Å; C25-L118 HydrophobicContact CB-CD2 4.47Å; L40-L118 HydrophobicContact CD2-CD1 4.32Å; V48-L118 HydrophobicContact CG1-CD1 3.42Å; V48-L118 VanDerWaalsContact CG1-CD1 3.42Å; L75-L118 HydrophobicContact CD1-CD2 3.76Å; L75-L118 HydrophobicContact CD1-CG 4.4Å; M114-L118 HydrophobicContact CG-CD1 4.18Å; M114-L118 WeakPolarHBondContact O-CG 3.41Å; M114-L118 PolarHBondContact O-N 3.17Å; M114-L118 HydrophobicContact SD-CD1 4.34Å; M114-L118 HydrophobicContact SD-CG 4.41Å; Q115-L118 PolarHBondContact O-N 3.45Å; L118-N120 PolarHBondContact O-N 3.3Å; L118-T121 WeakPolarHBondContact O-CB 3.38Å; L118-T121 PolarHBondContact O-N 3.49Å; L118-T121 VanDerWaalsContact O-N 3.15Å; L118-L124 HydrophobicContact CB-CD2 4.16Å; L118-L124 HydrophobicContact CD2-CD2 3.71Å; L118-I126 HydrophobicContact CB-CD1 4.08Å
119L98.1Very high97.8Very high109 Ų10959.4 Ų59.457%0.57130%0.304SS*.Hα-helixtrans-62.8-27.8176.8-73.4172.1000113.3F45 Q115 E117 I126F45-L119 HydrophobicContact CE1-CD1 4.01Å; F45-L119 HydrophobicContact CE1-CG 4.49Å; F45-L119 HydrophobicContact CE2-CD2 4.28Å; F45-L119 HydrophobicContact CE2-CG 4.26Å; F45-L119 HydrophobicContact CZ-CD1 3.59Å; F45-L119 HydrophobicContact CZ-CD2 3.92Å; F45-L119 HydrophobicContact CZ-CG 3.66Å; Q115-L119 VanDerWaalsContact O-CG 3.32Å; Q115-L119 WeakPolarHBondContact O-CG 3.49Å; Q115-L119 PolarHBondContact O-N 3.41Å; E117-L119 PolarHBondContact O-N 3.07Å; L119-I126 HydrophobicContact CD2-CD1 4.11Å
120N97.8Very high97.6Very high114 Ų11459.9 Ų59.961%0.6131%0.31SS*.THydrogen-bonded Turntrans-96.52.2178.9-66.9-57.8000113K116 E117 L118 P122K116-N120 PolarHBondContact O-N 3.24Å; K116-N120 PolarHBondContact O-ND2 2.97Å; E117-N120 CarbonylContact O-C 3.54Å; E117-N120 PolarHBondContact O-N 2.88Å; L118-N120 PolarHBondContact O-N 3.3Å; N120-P122 WeakPolarHBondContact O-CD 3.37Å
121T97.9Very high97.3Very high22 Ų2260.3 Ų60.314%0.13531%0.312CS..SBendtrans-76.9120.5-179.3-65.40000110.1E117 L118 L124E117-T121 PolarHBondContact O-N 2.84Å; E117-T121 VanDerWaalsContact O-N 3.08Å; E117-T121 PolarHBondContact O-OG1 3.04Å; L118-T121 WeakPolarHBondContact O-CB 3.38Å; L118-T121 PolarHBondContact O-N 3.49Å; L118-T121 VanDerWaalsContact O-N 3.15Å; T121-L124 HydrophobicContact CG2-CB 3.96Å; T121-L124 HydrophobicContact CG2-CD2 4.25Å; T121-L124 PolarHBondContact O-N 2.9Å
122P97.3Very high97Very high98 Ų9862.1 Ų62.164%0.63632%0.322SS*.THydrogen-bonded Turntrans-60.8144.5177.5-21.933.1000111.7S32 N120 L124S32-P122 PolarHBondContact OG-O 3.01Å; N120-P122 WeakPolarHBondContact O-CD 3.37Å; P122-L124 PolarHBondContact O-N 3.07Å
123N97.9Very high96.8Very high89 Ų8957.8 Ų57.848%0.47631%0.305SS..THydrogen-bonded Turntrans67.81.1-176.6-48.4-48.1000116.3S32 C36 T38S32-N123 PolarHBondContact O-ND2 2.92Å; S32-N123 WeakPolarHBondContact OG-CA 3.49Å; S32-N123 WeakPolarHBondContact OG-CB 3.41Å; S32-N123 PolarHBondContact OG-O 3.37Å; C36-N123 WeakPolarHBondContact O-CB 3.37Å; T38-N123 PolarHBondContact N-O 3.1Å
124L98.6Very high96.7Very high19 Ų1955.9 Ų55.910%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-99.3127.7178.9-177.457.3000110A28 S32 T38 L40 L118 T121 P122A28-L124 HydrophobicContact CB-CD1 3.86Å; A28-L124 HydrophobicContact CB-CD2 4.21Å; S32-L124 WeakPolarHBondContact OG-CB 3.36Å; S32-L124 PolarHBondContact OG-N 2.86Å; T38-L124 HydrophobicContact CG2-CD1 3.86Å; L40-L124 HydrophobicContact CB-CD1 4.17Å; L118-L124 HydrophobicContact CB-CD2 4.16Å; L118-L124 HydrophobicContact CD2-CD2 3.71Å; T121-L124 HydrophobicContact CG2-CB 3.96Å; T121-L124 HydrophobicContact CG2-CD2 4.25Å; T121-L124 PolarHBondContact O-N 2.9Å; P122-L124 PolarHBondContact O-N 3.07Å
125S98.4Very high96.5Very high55 Ų5561.1 Ų61.139%0.38532%0.319SS..EExtended strand (participates in β ladder)trans-115154.5166.5-60.90000109.6T38 L39 L40T38-S125 PolarHBondContact O-N 3.33Å; L39-S125 WeakPolarHBondContact CA-O 3.49Å; L40-S125 PolarHBondContact N-O 2.81Å
126I98.2Very high96.3Very high40 Ų4062 Ų6221%0.20532%0.324CS..EExtended strand (participates in β ladder)trans-125.5131.9179.7-53.2180000108.5L40 T42 F45 L118 L119L40-I126 HydrophobicContact CB-CG1 4.39Å; L40-I126 WeakPolarHBondContact O-CA 3.41Å; T42-I126 HydrophobicContact CG2-CG2 4.31Å; F45-I126 HydrophobicContact CD2-CD1 4.02Å; F45-I126 HydrophobicContact CD2-CG2 3.87Å; F45-I126 HydrophobicContact CE2-CD1 3.51Å; F45-I126 HydrophobicContact CE2-CG2 4.44Å; F45-I126 HydrophobicContact CZ-CD1 4.49Å; L118-I126 HydrophobicContact CB-CD1 4.08Å; L119-I126 HydrophobicContact CD2-CD1 4.11Å
127E96.9Very high96Very high90 Ų9060.2 Ų60.242%0.42132%0.321SS..EExtended strand (participates in β ladder)trans-120.3125176.5-172.979.1-178.100109.4L39 L40 V41 T42 A129L39-E127 HydrophobicContact CD1-CB 4.04Å; L39-E127 HydrophobicContact CD2-CB 4.43Å; L39-E127 HydrophobicContact CG-CB 4.45Å; L40-E127 PolarHBondContact O-N 2.97Å; V41-E127 WeakPolarHBondContact CA-O 3.34Å; V41-E127 HydrophobicContact CG2-CB 4.41Å; T42-E127 PolarHBondContact N-O 3.06Å; E127-A129 HydrophobicContact CG-CB 4.05Å; E127-A129 PolarHBondContact O-N 2.84Å
128E96.6Very high95.7Very high124 Ų12461.9 Ų61.958%0.57934%0.335SS*.EExtended strand (participates in β ladder)trans-80.192170.1-73.5-169.3119.900110.4T42 F45T42-E128 CarbonylContact O-C 3.55Å; T42-E128 WeakPolarHBondContact O-CA 3.24Å; F45-E128 HydrophobicContact CB-CG 3.67Å; F45-E128 VanDerWaalsContact CB-OE1 3.24Å; F45-E128 WeakPolarHBondContact CB-OE1 3.26Å; F45-E128 PolarHBondContact N-OE1 2.95Å
129A94.1Very high95Very high17 Ų1765.8 Ų65.814%0.1436%0.355CS..  trans-155.8163.1178.800000112V41 T42 E127 L150V41-A129 HydrophobicContact CG1-CB 4.03Å; V41-A129 WeakPolarHBondContact CG1-O 3.28Å; T42-A129 CarbonylContact C-O 3.57Å; T42-A129 PolarHBondContact O-N 3.45Å; E127-A129 HydrophobicContact CG-CB 4.05Å; E127-A129 PolarHBondContact O-N 2.84Å; A129-L150 HydrophobicContact CB-CD1 3.84Å; A129-L150 HydrophobicContact CB-CD2 4.01Å; A129-L150 HydrophobicContact CB-CG 4.41Å
130S92.8Very high94.3Very high45 Ų4567.8 Ų67.832%0.31537%0.366SS..  trans-101.4137.1170.7-64.50000110.4L150 S151S130-L150 CarbonylContact O-C 3.57Å; S130-L150 VanDerWaalsContact O-CA 3.29Å; S130-L150 WeakPolarHBondContact O-CA 3.4Å; S130-S151 PolarHBondContact O-N 2.78Å
131V93.6Very high93.7Very high8 Ų867.9 Ų67.95%0.04838%0.376CS..EExtended strand (participates in β ladder)trans-92.3126.4173.5177.90000109.3V18 V41 V148 L150 L193V18-V131 HydrophobicContact CB-CG2 4.46Å; V18-V131 HydrophobicContact CG1-CB 3.87Å; V18-V131 HydrophobicContact CG1-CG2 3.73Å; V18-V131 HydrophobicContact CG2-CG2 3.93Å; V41-V131 HydrophobicContact CB-CG2 4.19Å; V41-V131 HydrophobicContact CG1-CG2 3.72Å; V131-V148 HydrophobicContact CG1-CB 3.97Å; V131-V148 HydrophobicContact CG1-CG1 4.43Å; V131-V148 HydrophobicContact CG2-CB 4.47Å; V131-V148 HydrophobicContact CG2-CG2 4.37Å; V131-L150 HydrophobicContact CG2-CD2 4.06Å; V131-L193 HydrophobicContact CG1-CD1 4.35Å
132E90.7Very high93.1Very high74 Ų7469.5 Ų69.535%0.34639%0.387SS..EExtended strand (participates in β ladder)trans-103-34.8179.5-68.7-60.6156.400113L149 S151 G192 L193E132-L149 PolarHBondContact N-O 3.46Å; E132-S151 VanDerWaalsContact CG-CA 3.44Å; E132-G192 CarbonylContact O-C 3.57Å; E132-G192 VanDerWaalsContact O-CA 3.31Å; E132-G192 WeakPolarHBondContact O-CA 3.31Å; E132-G192 WeakPolarHBondContact OE2-CA 3.36Å; E132-L193 PolarHBondContact O-N 3.04Å; E132-L193 VanDerWaalsContact O-N 3.12Å
133D94.1Very high92.9Very high39 Ų3967.4 Ų67.421%0.20937%0.373CS..EExtended strand (participates in β ladder)trans-148.6163.9-176.4-153.8-8.8000112.6L149 S196 R199D133-L149 HydrophobicContact CB-CB 3.99Å; D133-L149 HydrophobicContact CB-CD2 4.11Å; D133-L149 PolarHBondContact N-O 2.87Å; D133-L149 PolarHBondContact O-N 3.37Å; D133-S196 WeakPolarHBondContact OD1-CB 3.49Å; D133-S196 PolarHBondContact OD1-OG 3.35Å; D133-R199 VanDerWaalsContact CG-NH2 3.27Å; D133-R199 IonicContact OD1-NH2 3.77Å; D133-R199 PolarHBondContact OD1-NH2 3.43Å; D133-R199 IonicContact OD2-CZ 2.63Å; D133-R199 IonicContact OD2-NH1 3.83Å; D133-R199 IonicContact OD2-NH2 2.66Å; D133-R199 PolarHBondContact OD2-NH2 2.87Å
134L94.8Very high92.8Very high7 Ų764.2 Ų64.24%0.03736%0.357CS..EExtended strand (participates in β ladder)trans-103.7133.7172-59.8177.6000109.7V145 V148 V161 I163 L193 L197 L200 M371 L374L134-V145 HydrophobicContact CB-CG2 4.48Å; L134-V148 HydrophobicContact CD2-CG1 4Å; L134-V161 HydrophobicContact CD2-CG1 4.22Å; L134-I163 HydrophobicContact CD1-CD1 4.27Å; L134-L193 HydrophobicContact CD1-CD1 4.46Å; L134-L193 HydrophobicContact CD2-CD1 4.07Å; L134-L193 HydrophobicContact CG-CD1 3.95Å; L134-L197 HydrophobicContact CD1-CD2 4.38Å; L134-L200 HydrophobicContact CD1-CD1 4.25Å; L134-M371 HydrophobicContact CD1-SD 4.4Å; L134-L374 HydrophobicContact CD1-CD1 4.05Å; L134-L374 HydrophobicContact CD1-CD2 4.02Å
135K95Very high92.7Very high110 Ų11063.4 Ų63.448%0.47835%0.353SS..EExtended strand (participates in β ladder)trans-87.2132.1169.3-171.867.7-178.1177.80109.2C146 G147 L155K135-C146 VanDerWaalsContact CG-SG 3.58Å; K135-C146 PolarHBondContact O-N 3.48Å; K135-G147 PolarHBondContact N-O 3.43Å; K135-G147 PolarHBondContact O-N 2.96Å; K135-L155 HydrophobicContact CB-CD1 3.7Å; K135-L155 HydrophobicContact CG-CD1 4.07Å
136I94.3Very high92.6Very high49 Ų4962.9 Ų62.925%0.25135%0.349SS..EExtended strand (participates in β ladder)trans-127.3144.8-171.9-53.4142.6000109P143 T144 L200 M371I136-P143 HydrophobicContact CG2-CB 4.14Å; I136-T144 WeakPolarHBondContact CA-O 3.43Å; I136-L200 HydrophobicContact CD1-CD1 3.98Å; I136-L200 HydrophobicContact CD1-CD2 3.19Å; I136-L200 HydrophobicContact CD1-CG 4.11Å; I136-L200 HydrophobicContact CG1-CD2 4.29Å; I136-M371 HydrophobicContact CD1-CE 4.03Å; I136-M371 HydrophobicContact CG1-CE 3.77Å; I136-M371 HydrophobicContact CG1-SD 4.4Å; I136-M371 HydrophobicContact CG2-CE 4.27Å
137N93.3Very high92.5Very high93 Ų9361 Ų6150%0.49734%0.339SS..EExtended strand (participates in β ladder)trans-124.1161.5165.1-159.48.7000109.7T144N137-T144 PolarHBondContact N-O 3.33Å; N137-T144 PolarHBondContact O-N 2.78Å
138V89.8Confident92.5Very high97 Ų9756.7 Ų56.759%0.58832%0.319SS*.EExtended strand (participates in β ladder)trans-103.6117.2172.8-178.20000108
139I85Confident92.4Very high82 Ų8253.7 Ų53.742%0.42131%0.307SS..EExtended strand (participates in β ladder)trans-122.2124.2177.7-57.5178.3000107S141 C142 T144I139-S141 VanDerWaalsContact C-N 3.28Å; I139-S141 PolarHBondContact O-N 3.43Å; I139-C142 PolarHBondContact N-O 3.24Å; I139-C142 WeakPolarHBondContact O-CB 3.25Å; I139-C142 PolarHBondContact O-N 3.31Å; I139-T144 HydrophobicContact CD1-CG2 4.1Å
140N83.2Confident92.4Very high151 Ų15153.1 Ų53.181%0.80730%0.301SS*.THydrogen-bonded Turntrans52.243.6-177.3-58-27.4000113.2C142N140-C142 PolarHBondContact O-N 3.29Å; N140-C142 VanDerWaalsContact O-N 3.11Å
141S85.2Confident92.3Very high117 Ų11754.3 Ų54.382%0.81831%0.31SS*.THydrogen-bonded Turntrans62.710-176.1-52.90000115.3I139I139-S141 VanDerWaalsContact C-N 3.28Å; I139-S141 PolarHBondContact O-N 3.43Å
142C85Confident92.2Very high55 Ų5558 Ų5837%0.37234%0.336SS..EExtended strand (participates in β ladder)trans-109.8130.5177.7-66.70000111I139 N140 T144 N372I139-C142 PolarHBondContact N-O 3.24Å; I139-C142 WeakPolarHBondContact O-CB 3.25Å; I139-C142 PolarHBondContact O-N 3.31Å; N140-C142 PolarHBondContact O-N 3.29Å; N140-C142 VanDerWaalsContact O-N 3.11Å; C142-T144 PolarHBondContact O-N 3.46Å; C142-T144 PolarHBondContact O-OG1 2.96Å; C142-N372 WeakPolarHBondContact CB-ND2 3.14Å
143P93.2Very high92.3Very high54 Ų5457 Ų5735%0.35135%0.346SS..EExtended strand (participates in β ladder)trans-57.6127.3168.8-21.532.7000110.6I136 M371 N372I136-P143 HydrophobicContact CG2-CB 4.14Å; P143-M371 HydrophobicContact CB-CE 4.46Å; P143-M371 WeakPolarHBondContact O-CA 3.47Å; P143-N372 PolarHBondContact O-N 3.37Å
144T96.2Very high92.4Very high22 Ų2258.4 Ų58.414%0.13536%0.356CS..EExtended strand (participates in β ladder)trans-132129.9-178.8-54.80000109.3I136 N137 I139 C142 N372I136-T144 WeakPolarHBondContact CA-O 3.43Å; N137-T144 PolarHBondContact N-O 3.33Å; N137-T144 PolarHBondContact O-N 2.78Å; I139-T144 HydrophobicContact CD1-CG2 4.1Å; C142-T144 PolarHBondContact O-N 3.46Å; C142-T144 PolarHBondContact O-OG1 2.96Å; T144-N372 HydrophobicContact CG2-CB 4.1Å
145V96.2Very high92.4Very high3 Ų362.2 Ų62.22%0.01838%0.375CS..EExtended strand (participates in β ladder)trans-69.7140.117773.60000110.4L134 V161 M371 N372 G373L134-V145 HydrophobicContact CB-CG2 4.48Å; V145-V161 HydrophobicContact CB-CG2 4.46Å; V145-V161 HydrophobicContact CG1-CB 4.3Å; V145-V161 HydrophobicContact CG1-CG2 4.04Å; V145-V161 HydrophobicContact CG2-CB 4.24Å; V145-V161 HydrophobicContact CG2-CG2 3.57Å; V145-M371 HydrophobicContact CB-CG 4.42Å; V145-M371 HydrophobicContact CB-SD 3.96Å; V145-M371 HydrophobicContact CG2-SD 4.48Å; V145-N372 PolarHBondContact N-O 3.28Å; V145-G373 VanDerWaalsContact CG1-C 3.47Å; V145-G373 VanDerWaalsContact CG1-O 3.27Å; V145-G373 WeakPolarHBondContact CG1-O 3.27Å
146C96Very high92.5Very high44 Ų4458.2 Ų58.230%0.29736%0.359SS..EExtended strand (participates in β ladder)trans-137.37.5178.963.70000114.3K135 P157 C158K135-C146 VanDerWaalsContact CG-SG 3.58Å; K135-C146 PolarHBondContact O-N 3.48Å; C146-P157 WeakPolarHBondContact O-CA 3.44Å; C146-C158 CarbonylContact C-O 3.53Å; C146-C158 VanDerWaalsContact CA-O 3.24Å; C146-C158 WeakPolarHBondContact CA-O 3.33Å; C146-C158 PolarHBondContact O-N 3.28Å; C146-C158 VanDerWaalsContact O-O 3.1Å
147G96.6Very high92.7Very high0 Ų058.6 Ų58.60%037%0.365CS..EExtended strand (participates in β ladder)trans170.1174.8175.700000113.3K135 L156 C158K135-G147 PolarHBondContact N-O 3.43Å; K135-G147 PolarHBondContact O-N 2.96Å; G147-L156 CarbonylContact C-O 3.59Å; G147-L156 WeakPolarHBondContact CA-O 3.48Å; G147-C158 VanDerWaalsContact CA-SG 3.56Å
148V96.4Very high92.9Very high0 Ų054.5 Ų54.50%034%0.344CS..EExtended strand (participates in β ladder)trans-123.6142.2172.3-56.60000110.4I16 V18 V131 L134 L150 L156 V161I16-V148 HydrophobicContact CD1-CG2 3.77Å; I16-V148 HydrophobicContact CG2-CG1 4.18Å; I16-V148 HydrophobicContact CG2-CG2 4.03Å; V18-V148 HydrophobicContact CG2-CG1 4.48Å; V131-V148 HydrophobicContact CG1-CB 3.97Å; V131-V148 HydrophobicContact CG1-CG1 4.43Å; V131-V148 HydrophobicContact CG2-CB 4.47Å; V131-V148 HydrophobicContact CG2-CG2 4.37Å; L134-V148 HydrophobicContact CD2-CG1 4Å; V148-L150 HydrophobicContact CG2-CD2 4.49Å; V148-L156 HydrophobicContact CG2-CB 3.91Å; V148-L156 HydrophobicContact CG2-CD1 4.21Å; V148-L156 HydrophobicContact CG2-CG 4.48Å; V148-L156 PolarHBondContact N-O 3.19Å; V148-L156 PolarHBondContact O-N 3.42Å; V148-V161 HydrophobicContact CG1-CG1 4.17Å; V148-V161 HydrophobicContact CG1-CG2 3.85Å
149L95.6Very high93.2Very high60 Ų6056.2 Ų56.231%0.31434%0.339SS..EExtended strand (participates in β ladder)trans-99.3121.8174.3-176.467.3000109E132 D133 G153E132-L149 PolarHBondContact N-O 3.46Å; D133-L149 HydrophobicContact CB-CB 3.99Å; D133-L149 HydrophobicContact CB-CD2 4.11Å; D133-L149 PolarHBondContact N-O 2.87Å; D133-L149 PolarHBondContact O-N 3.37Å; L149-G153 WeakPolarHBondContact CD1-O 3.33Å
150L94.3Very high93.8Very high5 Ų552.3 Ų52.33%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-78.7159.9174.6-56.6-173.9000111.2V41 A129 S130 V131 V148 S152 G153 T154 L156V41-L150 HydrophobicContact CG1-CD2 4.04Å; A129-L150 HydrophobicContact CB-CD1 3.84Å; A129-L150 HydrophobicContact CB-CD2 4.01Å; A129-L150 HydrophobicContact CB-CG 4.41Å; S130-L150 CarbonylContact O-C 3.57Å; S130-L150 VanDerWaalsContact O-CA 3.29Å; S130-L150 WeakPolarHBondContact O-CA 3.4Å; V131-L150 HydrophobicContact CG2-CD2 4.06Å; V148-L150 HydrophobicContact CG2-CD2 4.49Å; L150-S152 PolarHBondContact O-N 3.07Å; L150-G153 PolarHBondContact O-N 3.43Å; L150-T154 HydrophobicContact CD1-CG2 4.47Å; L150-T154 PolarHBondContact N-O 3.29Å; L150-L156 HydrophobicContact CD1-CD1 3.94Å; L150-L156 HydrophobicContact CD1-CG 4.25Å; L150-L156 HydrophobicContact CD2-CD1 3.98Å; L150-L156 HydrophobicContact CG-CD1 4.08Å; L150-L156 HydrophobicContact CG-CG 4.27Å
151S90.5Very high94.5Very high70 Ų7045.1 Ų45.149%0.4928%0.281SS..THydrogen-bonded Turntrans-60.1-23.4173.359.10000113.9S130 E132 G153S130-S151 PolarHBondContact O-N 2.78Å; E132-S151 VanDerWaalsContact CG-CA 3.44Å; S151-G153 PolarHBondContact O-N 3.08Å
152S91.8Very high95.2Very high86 Ų8639.5 Ų39.560%0.60124%0.242SC*.THydrogen-bonded Turntrans-72.5-6.9172.159.10000114.1L150 T154L150-S152 PolarHBondContact O-N 3.07Å; S152-T154 VanDerWaalsContact C-N 3.28Å; S152-T154 PolarHBondContact OG-OG1 3.37Å
153G92Very high95.8Very high53 Ų5336.9 Ų36.955%0.54622%0.224SC..SBendtrans84.2-2.1-172.400000114L149 L150 S151 L155L149-G153 WeakPolarHBondContact CD1-O 3.33Å; L150-G153 PolarHBondContact O-N 3.43Å; S151-G153 PolarHBondContact O-N 3.08Å; G153-L155 PolarHBondContact O-N 3.12Å
154T95.2Very high96Very high69 Ų6934.6 Ų34.642%0.42321%0.21SC..  trans-71.2127.7176.1-61.50000110.8L150 S152 L156L150-T154 HydrophobicContact CD1-CG2 4.47Å; L150-T154 PolarHBondContact N-O 3.29Å; S152-T154 VanDerWaalsContact C-N 3.28Å; S152-T154 PolarHBondContact OG-OG1 3.37Å; T154-L156 HydrophobicContact CG2-CD2 4.06Å
155L96Very high95.6Very high86 Ų8634.2 Ų34.245%0.4521%0.208SC..EExtended strand (participates in β ladder)trans-91.7124.5172.3177.166.7000110K135 G153 P157K135-L155 HydrophobicContact CB-CD1 3.7Å; K135-L155 HydrophobicContact CG-CD1 4.07Å; G153-L155 PolarHBondContact O-N 3.12Å; L155-P157 WeakPolarHBondContact O-CD 3.32Å
156L96.8Very high95.2Very high26 Ų2634.6 Ų34.614%0.13621%0.212CC..EExtended strand (participates in β ladder)trans-105.4105.9173.1-60.3-179.6000109.4I16 L39 V41 G147 V148 L150 T154I16-L156 HydrophobicContact CD1-CB 3.82Å; L39-L156 HydrophobicContact CD2-CD1 3.58Å; V41-L156 HydrophobicContact CG2-CD1 4.4Å; G147-L156 CarbonylContact C-O 3.59Å; G147-L156 WeakPolarHBondContact CA-O 3.48Å; V148-L156 HydrophobicContact CG2-CB 3.91Å; V148-L156 HydrophobicContact CG2-CD1 4.21Å; V148-L156 HydrophobicContact CG2-CG 4.48Å; V148-L156 PolarHBondContact N-O 3.19Å; V148-L156 PolarHBondContact O-N 3.42Å; L150-L156 HydrophobicContact CD1-CD1 3.94Å; L150-L156 HydrophobicContact CD1-CG 4.25Å; L150-L156 HydrophobicContact CD2-CD1 3.98Å; L150-L156 HydrophobicContact CG-CD1 4.08Å; L150-L156 HydrophobicContact CG-CG 4.27Å; T154-L156 HydrophobicContact CG2-CD2 4.06Å
157P97.5Very high94.6Very high58 Ų5833.3 Ų33.338%0.37720%0.203SC..EExtended strand (participates in β ladder)trans-71.4139179.128.8-33.1000110.8P12 W13 C146 L155P12-P157 HydrophobicContact CB-CB 4.22Å; P12-P157 HydrophobicContact CB-CG 4.36Å; W13-P157 PolarHBondContact N-O 3.37Å; C146-P157 WeakPolarHBondContact O-CA 3.44Å; L155-P157 WeakPolarHBondContact O-CD 3.32Å
158C97.5Very high94Very high7 Ų735.1 Ų35.15%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-150.8168.5176.8690000113.6W13 I16 C146 G147 S160 V161W13-C158 HydrophobicContact CB-CB 4.03Å; W13-C158 CarbonylContact O-C 3.1Å; W13-C158 WeakPolarHBondContact O-CA 3.4Å; W13-C158 WeakPolarHBondContact O-CB 3.43Å; I16-C158 HydrophobicContact CB-CB 4.4Å; I16-C158 HydrophobicContact CD1-CB 3.54Å; I16-C158 HydrophobicContact CG1-CB 3.58Å; C146-C158 CarbonylContact C-O 3.53Å; C146-C158 VanDerWaalsContact CA-O 3.24Å; C146-C158 WeakPolarHBondContact CA-O 3.33Å; C146-C158 PolarHBondContact O-N 3.28Å; C146-C158 VanDerWaalsContact O-O 3.1Å; G147-C158 VanDerWaalsContact CA-SG 3.56Å; C158-S160 PolarHBondContact SG-O 2.95Å; C158-V161 WeakPolarHBondContact SG-CG2 3.47Å
159R96.9Very high93.4Very high132 Ų13235.1 Ų35.150%0.49821%0.211SC..EExtended strand (participates in β ladder)trans-98-24.2178.8-61.8179.567.2-167.7-4.3113.4W13 D14 V404W13-R159 PolarHBondContact O-N 2.85Å; W13-R159 VanDerWaalsContact O-N 3.09Å; D14-R159 WeakPolarHBondContact O-CB 3.41Å; D14-R159 PolarHBondContact O-N 2.69Å; R159-V404 HydrophobicContact CB-CG1 4.49Å; R159-V404 HydrophobicContact CB-CG2 3.83Å; R159-V404 PolarHBondContact NH1-O 2.75Å; R159-V404 PolarHBondContact NH2-O 2.66Å
160S98Very high92.9Very high0 Ų033.1 Ų33.10%020%0.202CC..EExtended strand (participates in β ladder)trans-149.2151.8178.4-175.40000110.8D14 V15 I16 C158 G373 F375 A400D14-S160 PolarHBondContact O-N 3.2Å; V15-S160 WeakPolarHBondContact CA-O 3.25Å; I16-S160 PolarHBondContact N-O 3.5Å; C158-S160 PolarHBondContact SG-O 2.95Å; S160-G373 CarbonylContact C-O 3.53Å; S160-G373 WeakPolarHBondContact CA-O 3.39Å; S160-G373 PolarHBondContact OG-O 3.06Å; S160-G373 VanDerWaalsContact OG-O 3.11Å; S160-F375 WeakPolarHBondContact OG-CE2 3.37Å; S160-A400 WeakPolarHBondContact OG-CB 3.2Å
161V98.6Very high92.6Very high0 Ų032.9 Ų32.90%020%0.201CC..EExtended strand (participates in β ladder)trans-131.5133.2179.5179.40000110.5I16 V18 L134 V145 V148 C158 I163 G373 L374 F375I16-V161 CarbonylContact O-C 3.15Å; I16-V161 VanDerWaalsContact O-CA 3.28Å; I16-V161 WeakPolarHBondContact O-CA 3.29Å; V18-V161 HydrophobicContact CG2-CG1 4.15Å; L134-V161 HydrophobicContact CD2-CG1 4.22Å; V145-V161 HydrophobicContact CB-CG2 4.46Å; V145-V161 HydrophobicContact CG1-CB 4.3Å; V145-V161 HydrophobicContact CG1-CG2 4.04Å; V145-V161 HydrophobicContact CG2-CB 4.24Å; V145-V161 HydrophobicContact CG2-CG2 3.57Å; V148-V161 HydrophobicContact CG1-CG1 4.17Å; V148-V161 HydrophobicContact CG1-CG2 3.85Å; C158-V161 WeakPolarHBondContact SG-CG2 3.47Å; V161-I163 HydrophobicContact CG1-CG1 4.12Å; V161-G373 PolarHBondContact N-O 3.21Å; V161-L374 HydrophobicContact CB-CD1 4.06Å; V161-L374 HydrophobicContact CG1-CD1 4.07Å; V161-F375 PolarHBondContact O-N 2.97Å
162V98.8Very high92.5Very high0 Ų032.2 Ų32.20%019%0.19CC..EExtended strand (participates in β ladder)trans-112.2122.4169.8-174.10000109.3V15 I16 V17 V18 A27 F375 C377 A396 A400V15-V162 HydrophobicContact CG1-CG2 4.15Å; I16-V162 PolarHBondContact O-N 2.86Å; V17-V162 CarbonylContact C-O 3.56Å; V17-V162 WeakPolarHBondContact CA-O 3.5Å; V17-V162 HydrophobicContact CG1-CB 4.35Å; V17-V162 HydrophobicContact CG2-CB 4.18Å; V17-V162 HydrophobicContact CG2-CG2 4.36Å; V18-V162 PolarHBondContact N-O 3.38Å; A27-V162 HydrophobicContact CB-CB 4.49Å; A27-V162 HydrophobicContact CB-CG1 3.92Å; V162-F375 CarbonylContact C-O 3.03Å; V162-F375 WeakPolarHBondContact CA-O 3.29Å; V162-F375 HydrophobicContact CB-CB 4.48Å; V162-F375 HydrophobicContact CG1-CB 4.39Å; V162-F375 HydrophobicContact CG2-CB 4.12Å; V162-C377 WeakPolarHBondContact CG1-SG 3.32Å; V162-A396 HydrophobicContact CG1-CB 3.86Å; V162-A400 HydrophobicContact CG2-CB 3.51Å
163I97.8Very high92.4Very high0 Ų028.1 Ų28.10%016%0.161CC..EExtended strand (participates in β ladder)trans-100.2118.9176.8-60.6-179.3000109.8L134 V161 T165 L193 L197 L374 F375 L376 C377 I380L134-I163 HydrophobicContact CD1-CD1 4.27Å; V161-I163 HydrophobicContact CG1-CG1 4.12Å; I163-T165 HydrophobicContact CG2-CG2 3.78Å; I163-L193 HydrophobicContact CD1-CD1 4.17Å; I163-L193 HydrophobicContact CD1-CD2 4.1Å; I163-L193 HydrophobicContact CD1-CG 4.38Å; I163-L193 HydrophobicContact CG2-CD2 4.01Å; I163-L197 HydrophobicContact CD1-CD1 4.28Å; I163-L197 HydrophobicContact CD1-CD2 4.09Å; I163-L374 HydrophobicContact CD1-CD1 3.71Å; I163-L374 HydrophobicContact CG1-CD1 3.95Å; I163-F375 PolarHBondContact N-O 3.39Å; I163-L376 HydrophobicContact CB-CD2 3.8Å; I163-L376 HydrophobicContact CD1-CD2 4.07Å; I163-L376 HydrophobicContact CG1-CD2 4.25Å; I163-L376 HydrophobicContact CG2-CD2 4.49Å; I163-C377 PolarHBondContact O-N 3.14Å; I163-I380 HydrophobicContact CG2-CD1 3.71Å
164A96.5Very high92.3Very high6 Ų626.1 Ų26.15%0.0514%0.138CC..  trans-130.244.4-177.500000111.4V18 A23 G166V18-A164 CarbonylContact O-C 3.49Å; V18-A164 WeakPolarHBondContact O-CA 3.49Å; V18-A164 PolarHBondContact O-N 3.32Å; A23-A164 HydrophobicContact CB-CB 4.09Å; A164-G166 PolarHBondContact O-N 3.1Å; A164-G166 VanDerWaalsContact O-N 3.12Å
165T88.7Confident92.1Very high14 Ų1423.8 Ų23.89%0.08612%0.122CC..  trans-72.8-0.9-169.447.20000115.7V18 I163 T167 F168 L193V18-T165 HydrophobicContact CG1-CG2 4.27Å; I163-T165 HydrophobicContact CG2-CG2 3.78Å; T165-T167 PolarHBondContact O-N 2.84Å; T165-F168 WeakPolarHBondContact O-CB 3.38Å; T165-F168 WeakPolarHBondContact O-CD2 3.4Å; T165-F168 PolarHBondContact O-N 2.81Å; T165-L193 HydrophobicContact CG2-CD2 3.81Å
166G88.5Confident91.8Very high11 Ų1119.7 Ų19.711%0.11310%0.101CC..THydrogen-bonded Turntrans60.3-129.8178.100000112.6A164 Q379A164-G166 PolarHBondContact O-N 3.1Å; A164-G166 VanDerWaalsContact O-N 3.12Å; G166-Q379 WeakPolarHBondContact O-CB 3.47Å
167T82.2Confident91.4Very high16 Ų1623.3 Ų23.310%0.09812%0.12CC..THydrogen-bonded Turntrans-94.111.9-179.154.40000113.6T165 G183 V352 Y354 Q379T165-T167 PolarHBondContact O-N 2.84Å; T167-G183 WeakPolarHBondContact O-CA 3.47Å; T167-G183 PolarHBondContact OG1-O 3.07Å; T167-V352 HydrophobicContact CG2-CG1 4.16Å; T167-Y354 HydrophobicContact CG2-CD1 3.74Å; T167-Y354 HydrophobicContact CG2-CE1 3.72Å; T167-Y354 HydrophobicContact CG2-CG 4.25Å; T167-Y354 WeakPolarHBondContact O-CB 3.42Å; T167-Q379 HydrophobicContact CG2-CG 4.43Å
168F83.4Confident91Very high38 Ų3826.8 Ų26.817%0.16713%0.131CC..  trans-88.1-22.5-168.4-66.9-109.3000113.3T165 S170 G171 R184 E187 A189 S190T165-F168 WeakPolarHBondContact O-CB 3.38Å; T165-F168 WeakPolarHBondContact O-CD2 3.4Å; T165-F168 PolarHBondContact O-N 2.81Å; F168-S170 PolarHBondContact O-N 3.15Å; F168-S170 VanDerWaalsContact O-N 3.12Å; F168-G171 PolarHBondContact O-N 3.44Å; F168-G171 VanDerWaalsContact O-N 3.16Å; F168-R184 HydrophobicContact CE2-CG 4.3Å; F168-R184 HydrophobicContact CZ-CG 4.09Å; F168-E187 HydrophobicContact CE1-CB 3.79Å; F168-E187 WeakPolarHBondContact CE1-OE2 3.48Å; F168-E187 HydrophobicContact CZ-CB 4.45Å; F168-E187 WeakPolarHBondContact CZ-OE2 3.35Å; F168-A189 WeakPolarHBondContact O-CA 3.49Å; F168-S190 PolarHBondContact O-N 3.14Å
169L84.3Confident90.6Very high0 Ų029.4 Ų29.40%015%0.147CC..BIsolated β-bridgetrans-67.2110.1-176.7-161.669.9000110.4G171 L193 L197 L204 D355 I380L169-G171 PolarHBondContact O-N 3.01Å; L169-G171 VanDerWaalsContact O-N 3.16Å; L169-L193 HydrophobicContact CD1-CB 4.06Å; L169-L193 HydrophobicContact CD1-CG 4.39Å; L169-L197 HydrophobicContact CD2-CD1 4.1Å; L169-L204 HydrophobicContact CD2-CD2 4.45Å; L169-D355 HydrophobicContact CB-CB 4.3Å; L169-D355 HydrophobicContact CD2-CB 3.96Å; L169-D355 HydrophobicContact CG-CB 4.06Å; L169-D355 PolarHBondContact O-N 2.9Å; L169-I380 HydrophobicContact CD2-CD1 3.93Å; L169-I380 HydrophobicContact CD2-CG1 4.32Å
170S85.1Confident90.3Very high19 Ų1927 Ų2713%0.13314%0.138CC..THydrogen-bonded Turntrans43.542.5-168-48.20000112.5F168 S190 S194 R206 D355F168-S170 PolarHBondContact O-N 3.15Å; F168-S170 VanDerWaalsContact O-N 3.12Å; S170-S190 PolarHBondContact N-O 3.44Å; S170-S194 WeakPolarHBondContact OG-CB 3.35Å; S170-S194 PolarHBondContact OG-OG 3.33Å; S170-R206 PolarHBondContact O-NH2 3Å; S170-D355 VanDerWaalsContact CB-CG 3.49Å; S170-D355 WeakPolarHBondContact CB-OD2 3.46Å; S170-D355 PolarHBondContact OG-OD2 2.9Å
171G87.8Confident89.8Confident0 Ų031 Ų310%016%0.163CC..  trans-63.3138-177.500000112.9F168 L169 A182 A189 Q353F168-G171 PolarHBondContact O-N 3.44Å; F168-G171 VanDerWaalsContact O-N 3.16Å; L169-G171 PolarHBondContact O-N 3.01Å; L169-G171 VanDerWaalsContact O-N 3.16Å; G171-A182 CarbonylContact C-O 2.94Å; G171-A182 WeakPolarHBondContact CA-O 3.39Å; G171-A182 PolarHBondContact O-N 2.81Å; G171-A189 WeakPolarHBondContact O-CB 3.42Å; G171-Q353 CarbonylContact C-O 3.39Å; G171-Q353 WeakPolarHBondContact CA-O 3.46Å
172E90Very high88.9Confident56 Ų5631.1 Ų31.126%0.26217%0.165SC..EExtended strand (participates in β ladder)trans-136.7125.4175-170175.2-171.400109.5T179 W180 A182 R206 V352 Q353E172-T179 WeakPolarHBondContact OE1-CB 3.36Å; E172-T179 PolarHBondContact OE1-OG1 3.26Å; E172-T179 VanDerWaalsContact OE1-OG1 3.05Å; E172-W180 CarbonylContact C-O 3.53Å; E172-W180 WeakPolarHBondContact CA-O 3.41Å; E172-A182 PolarHBondContact N-O 2.9Å; E172-R206 IonicContact OE2-CZ 3.73Å; E172-R206 IonicContact OE2-NH1 3.56Å; E172-R206 PolarHBondContact OE2-NH1 3.37Å; E172-R206 VanDerWaalsContact OE2-NH1 3.08Å; E172-R206 IonicContact OE2-NH2 3.39Å; E172-V352 CarbonylContact O-C 3.45Å; E172-V352 WeakPolarHBondContact O-CA 3.31Å; E172-Q353 PolarHBondContact N-O 3.13Å; E172-Q353 PolarHBondContact O-N 3.26Å
173I89.5Confident87.6Confident0 Ų031.2 Ų31.20%017%0.165CC..EExtended strand (participates in β ladder)trans-90.8144.3176.2-68.6178.9000109.1T179 W180 A182 R184 I185 Y350 G351I173-T179 CarbonylContact O-C 3.6Å; I173-T179 WeakPolarHBondContact O-CA 3.42Å; I173-W180 HydrophobicContact CB-CD2 4.17Å; I173-W180 HydrophobicContact CB-CH2 4.47Å; I173-W180 HydrophobicContact CB-CZ2 3.89Å; I173-W180 HydrophobicContact CD1-CZ2 4.39Å; I173-W180 HydrophobicContact CG2-CD2 4.29Å; I173-W180 HydrophobicContact CG2-CE3 4.5Å; I173-W180 HydrophobicContact CG2-CH2 3.56Å; I173-W180 HydrophobicContact CG2-CZ2 3.27Å; I173-W180 HydrophobicContact CG2-CZ3 4.17Å; I173-W180 PolarHBondContact N-O 3.12Å; I173-W180 PolarHBondContact O-N 2.8Å; I173-A182 HydrophobicContact CB-CB 4.46Å; I173-A182 HydrophobicContact CD1-CB 3.4Å; I173-A182 HydrophobicContact CG1-CB 3.74Å; I173-R184 VanDerWaalsContact CD1-C 3.42Å; I173-I185 HydrophobicContact CD1-CB 4.31Å; I173-I185 HydrophobicContact CD1-CG1 3.63Å; I173-I185 VanDerWaalsContact CD1-N 3.33Å; I173-Y350 HydrophobicContact CD1-CD2 4.21Å; I173-Y350 HydrophobicContact CD1-CE2 4.01Å; I173-Y350 HydrophobicContact CG1-CD2 4.16Å; I173-Y350 HydrophobicContact CG1-CE2 4.19Å; I173-Y350 HydrophobicContact CG2-CD2 3.74Å; I173-Y350 HydrophobicContact CG2-CG 4.19Å; I173-G351 CarbonylContact C-O 3.58Å; I173-G351 VanDerWaalsContact CA-O 3.31Å; I173-G351 WeakPolarHBondContact CA-O 3.43Å
174F89.5Confident86.7Confident11 Ų1132.5 Ų32.55%0.04817%0.17CC..EExtended strand (participates in β ladder)trans-129132.9171.749.5-85.3000111.6E178 T179 R208 H276 T324 G351 Q353F174-E178 WeakPolarHBondContact CA-O 3.36Å; F174-T179 HydrophobicContact CB-CG2 4Å; F174-R208 HydrophobicContact CE1-CG 4.18Å; F174-R208 HydrophobicContact CZ-CB 4.21Å; F174-R208 HydrophobicContact CZ-CG 4.12Å; F174-H276 VanDerWaalsContact CB-CD2 3.48Å; F174-H276 WeakPolarHBondContact CB-CD2 3.22Å; F174-H276 AromaticContact CD2-CD2 3.62Å; F174-H276 AromaticContact CG-CD2 3.55Å; F174-T324 HydrophobicContact CD2-CG2 3.87Å; F174-T324 HydrophobicContact CE2-CG2 3.64Å; F174-G351 WeakPolarHBondContact CD1-O 3.49Å; F174-G351 VanDerWaalsContact CE2-CA 3.5Å; F174-G351 VanDerWaalsContact CZ-CA 3.45Å; F174-G351 PolarHBondContact N-O 3.35Å; F174-G351 PolarHBondContact O-N 3.01Å; F174-Q353 HydrophobicContact CE1-CB 4.06Å
175L91Very high85.7Confident19 Ų1935.9 Ų35.910%0.09919%0.187CC..EExtended strand (participates in β ladder)trans-138.799.3177.9-17869.3000108.2L177 E178 W180 F325 V327 P348 G349L175-L177 PolarHBondContact O-N 3.34Å; L175-E178 PolarHBondContact N-O 2.92Å; L175-E178 WeakPolarHBondContact O-CB 3.11Å; L175-E178 PolarHBondContact O-N 3.29Å; L175-E178 VanDerWaalsContact O-N 3.12Å; L175-W180 HydrophobicContact CB-CH2 3.81Å; L175-W180 HydrophobicContact CB-CZ3 3.87Å; L175-W180 HydrophobicContact CD2-CH2 4.26Å; L175-F325 WeakPolarHBondContact CD1-O 3.21Å; L175-V327 HydrophobicContact CD2-CG2 3.92Å; L175-P348 HydrophobicContact CD1-CB 4.05Å; L175-P348 HydrophobicContact CD2-CB 4.48Å; L175-P348 HydrophobicContact CD2-CG 4.31Å; L175-G349 WeakPolarHBondContact CD1-O 3.49Å
176G89.9Confident85.1Confident0 Ų039 Ų390%022%0.221CC..THydrogen-bonded Turntrans64.8-117.5-169.200000110.8L273 T324G176-L273 CarbonylContact C-O 3.52Å; G176-L273 WeakPolarHBondContact CA-O 3.39Å; G176-T324 VanDerWaalsContact CA-O 3.28Å; G176-T324 WeakPolarHBondContact CA-O 3.36Å; G176-T324 PolarHBondContact N-O 3.41Å
177L87.3Confident84.6Confident103 Ų10339.8 Ų39.854%0.53922%0.222SC..THydrogen-bonded Turntrans-95.4-8.1176.5-61.1178.5000112.9L175 L273 R275L175-L177 PolarHBondContact O-N 3.34Å; L177-L273 HydrophobicContact CD1-CD2 4.29Å; L177-R275 HydrophobicContact CD2-CB 4.28Å
178E90Very high84.5Confident131 Ų13144.1 Ų44.161%0.61225%0.253SS*.EExtended strand (participates in β ladder)trans-81.6133.1177.6-62.2-177.217800110.1F174 L175 W180F174-E178 WeakPolarHBondContact CA-O 3.36Å; L175-E178 PolarHBondContact N-O 2.92Å; L175-E178 WeakPolarHBondContact O-CB 3.11Å; L175-E178 PolarHBondContact O-N 3.29Å; L175-E178 VanDerWaalsContact O-N 3.12Å; E178-W180 HydrophobicContact CB-CE3 4.38Å; E178-W180 HydrophobicContact CB-CZ3 4.12Å
179T89Confident84.1Confident62 Ų6243.2 Ų43.238%0.3825%0.253SS..EExtended strand (participates in β ladder)trans-129.5143.5170.574.20000111.2E172 I173 F174 H276E172-T179 WeakPolarHBondContact OE1-CB 3.36Å; E172-T179 PolarHBondContact OE1-OG1 3.26Å; E172-T179 VanDerWaalsContact OE1-OG1 3.05Å; I173-T179 CarbonylContact O-C 3.6Å; I173-T179 WeakPolarHBondContact O-CA 3.42Å; F174-T179 HydrophobicContact CB-CG2 4Å; T179-H276 VanDerWaalsContact CG2-NE2 3.32Å; T179-H276 WeakPolarHBondContact CG2-NE2 3.18Å
180W90.4Very high83.8Confident82 Ų8244.4 Ų44.431%0.31126%0.261SS..EExtended strand (participates in β ladder)trans-151.5152175.164.892.9000113E172 I173 L175 E178 A182E172-W180 CarbonylContact C-O 3.53Å; E172-W180 WeakPolarHBondContact CA-O 3.41Å; I173-W180 HydrophobicContact CB-CD2 4.17Å; I173-W180 HydrophobicContact CB-CH2 4.47Å; I173-W180 HydrophobicContact CB-CZ2 3.89Å; I173-W180 HydrophobicContact CD1-CZ2 4.39Å; I173-W180 HydrophobicContact CG2-CD2 4.29Å; I173-W180 HydrophobicContact CG2-CE3 4.5Å; I173-W180 HydrophobicContact CG2-CH2 3.56Å; I173-W180 HydrophobicContact CG2-CZ2 3.27Å; I173-W180 HydrophobicContact CG2-CZ3 4.17Å; I173-W180 PolarHBondContact N-O 3.12Å; I173-W180 PolarHBondContact O-N 2.8Å; L175-W180 HydrophobicContact CB-CH2 3.81Å; L175-W180 HydrophobicContact CB-CZ3 3.87Å; L175-W180 HydrophobicContact CD2-CH2 4.26Å; E178-W180 HydrophobicContact CB-CE3 4.38Å; E178-W180 HydrophobicContact CB-CZ3 4.12Å; W180-A182 PolarHBondContact O-N 2.83Å
181P87Confident83.4Confident82 Ų8249.2 Ų49.253%0.53228%0.277SS..EExtended strand (participates in β ladder)trans-57.6114.7173.3-31.440.4000113.8Y191P181-Y191 HydrophobicContact CB-CE2 4.4Å; P181-Y191 WeakPolarHBondContact CB-OH 3.34Å; P181-Y191 WeakPolarHBondContact CG-OH 3.36Å
182A81.2Confident83.2Confident4 Ų450 Ų503%0.03329%0.286CS..  trans-171142.8172.900000111.7G171 E172 I173 W180 E187G171-A182 CarbonylContact C-O 2.94Å; G171-A182 WeakPolarHBondContact CA-O 3.39Å; G171-A182 PolarHBondContact O-N 2.81Å; E172-A182 PolarHBondContact N-O 2.9Å; I173-A182 HydrophobicContact CB-CB 4.46Å; I173-A182 HydrophobicContact CD1-CB 3.4Å; I173-A182 HydrophobicContact CG1-CB 3.74Å; W180-A182 PolarHBondContact O-N 2.83Å; A182-E187 WeakPolarHBondContact CA-O 3.37Å
183G70.4Confident83.1Confident1 Ų147.4 Ų47.41%0.0127%0.274CS..SBendtrans-79.9-33.8170.900000112.7T167 E187T167-G183 WeakPolarHBondContact O-CA 3.47Å; T167-G183 PolarHBondContact OG1-O 3.07Å; G183-E187 PolarHBondContact N-O 3.14Å
184R78.4Confident83Confident28 Ų2847.7 Ų47.711%0.10628%0.276CS..BIsolated β-bridgetrans-150.1158.3174.7-63177.2179173-1.5108.4S52 F168 I173 G186 E187S52-R184 PolarHBondContact OG-NH2 2.74Å; F168-R184 HydrophobicContact CE2-CG 4.3Å; F168-R184 HydrophobicContact CZ-CG 4.09Å; I173-R184 VanDerWaalsContact CD1-C 3.42Å; R184-G186 PolarHBondContact O-N 3.19Å; R184-E187 HydrophobicContact CB-CB 4.22Å; R184-E187 HydrophobicContact CB-CG 4.33Å; R184-E187 VanDerWaalsContact CD-OE1 3.31Å; R184-E187 WeakPolarHBondContact CD-OE1 3.46Å; R184-E187 PolarHBondContact O-N 2.88Å
185I76.9Confident82.9Confident76 Ų7649.9 Ų49.939%0.3930%0.296SS..THydrogen-bonded Turntrans-57120.9178.1-72.3-174000108.9I173 Y350I173-I185 HydrophobicContact CD1-CB 4.31Å; I173-I185 HydrophobicContact CD1-CG1 3.63Å; I173-I185 VanDerWaalsContact CD1-N 3.33Å; I185-Y350 HydrophobicContact CB-CE1 4.3Å; I185-Y350 HydrophobicContact CD1-CD1 3.22Å; I185-Y350 HydrophobicContact CD1-CD2 4.41Å; I185-Y350 HydrophobicContact CD1-CE1 3.49Å; I185-Y350 VanDerWaalsContact CD1-CE1 3.49Å; I185-Y350 HydrophobicContact CD1-CG 3.73Å; I185-Y350 HydrophobicContact CG1-CD1 3.74Å; I185-Y350 HydrophobicContact CG1-CD2 4.23Å; I185-Y350 HydrophobicContact CG1-CE1 3.6Å; I185-Y350 HydrophobicContact CG1-CE2 4.14Å; I185-Y350 HydrophobicContact CG1-CG 4.05Å
186G75.3Confident82.9Confident79 Ų7949.1 Ų49.181%0.81429%0.292SS*.THydrogen-bonded Turntrans86.82.3-177.400000115.7R184R184-G186 PolarHBondContact O-N 3.19Å
187E79.3Confident83Confident29 Ų2949.1 Ų49.114%0.13629%0.292CS..BIsolated β-bridgetrans-126.3124.3-179-57.1-179.1-122.300111.8F168 A182 G183 R184F168-E187 HydrophobicContact CE1-CB 3.79Å; F168-E187 WeakPolarHBondContact CE1-OE2 3.48Å; F168-E187 HydrophobicContact CZ-CB 4.45Å; F168-E187 WeakPolarHBondContact CZ-OE2 3.35Å; A182-E187 WeakPolarHBondContact CA-O 3.37Å; G183-E187 PolarHBondContact N-O 3.14Å; R184-E187 HydrophobicContact CB-CB 4.22Å; R184-E187 HydrophobicContact CB-CG 4.33Å; R184-E187 VanDerWaalsContact CD-OE1 3.31Å; R184-E187 WeakPolarHBondContact CD-OE1 3.46Å; R184-E187 PolarHBondContact O-N 2.88Å
188S78.6Confident83.2Confident106 Ų10651.2 Ų51.274%0.74130%0.297SS*.PPolyproline II helixtrans-63.1145.4-175.8-54.90000113.3
189A75.1Confident83.3Confident19 Ų1952 Ų5216%0.15729%0.294CS..PPolyproline II helixtrans-70.9154.5170.700000112.1F168 G171 Y191F168-A189 WeakPolarHBondContact O-CA 3.49Å; G171-A189 WeakPolarHBondContact O-CB 3.42Å; A189-Y191 HydrophobicContact CB-CD2 4.45Å; A189-Y191 HydrophobicContact CB-CE2 3.87Å
190S78.6Confident83.3Confident25 Ų2550.8 Ų50.818%0.17529%0.285CS..BIsolated β-bridgetrans-102.5117.6171.6177.90000109.9F168 S170F168-S190 PolarHBondContact O-N 3.14Å; S170-S190 PolarHBondContact N-O 3.44Å
191Y76.1Confident83.1Confident120 Ų12049 Ų4947%0.47129%0.292SS..  trans-102.4-40.2-179.2-71.2-76.4000113P181 A189 L193 S194 A195P181-Y191 HydrophobicContact CB-CE2 4.4Å; P181-Y191 WeakPolarHBondContact CB-OH 3.34Å; P181-Y191 WeakPolarHBondContact CG-OH 3.36Å; A189-Y191 HydrophobicContact CB-CD2 4.45Å; A189-Y191 HydrophobicContact CB-CE2 3.87Å; Y191-L193 PolarHBondContact O-N 2.7Å; Y191-S194 PolarHBondContact O-N 2.58Å; Y191-A195 PolarHBondContact O-N 2.99Å; Y191-A195 VanDerWaalsContact O-N 3.11Å
192G83.8Confident83.4Confident18 Ų1845.5 Ų45.519%0.18627%0.27CS..Hα-helixtrans-54.6-51.6-176.600000111.9E132 S194 A195 S196E132-G192 CarbonylContact O-C 3.57Å; E132-G192 VanDerWaalsContact O-CA 3.31Å; E132-G192 WeakPolarHBondContact O-CA 3.31Å; E132-G192 WeakPolarHBondContact OE2-CA 3.36Å; G192-S194 VanDerWaalsContact C-N 3.31Å; G192-S194 PolarHBondContact O-N 3.05Å; G192-A195 WeakPolarHBondContact O-CB 3.47Å; G192-A195 PolarHBondContact O-N 3.45Å; G192-S196 PolarHBondContact O-N 3.2Å; G192-S196 PolarHBondContact O-OG 3.42Å; G192-S196 VanDerWaalsContact O-OG 3.1Å
193L87.3Confident84Confident1 Ų150.8 Ų50.81%0.00529%0.289CS..Hα-helixtrans-64.7-33.7-176.8-167.364.4000112.9V18 V131 E132 L134 I163 T165 L169 Y191 S196 L197V18-L193 HydrophobicContact CG1-CD2 4.43Å; V131-L193 HydrophobicContact CG1-CD1 4.35Å; E132-L193 PolarHBondContact O-N 3.04Å; E132-L193 VanDerWaalsContact O-N 3.12Å; L134-L193 HydrophobicContact CD1-CD1 4.46Å; L134-L193 HydrophobicContact CD2-CD1 4.07Å; L134-L193 HydrophobicContact CG-CD1 3.95Å; I163-L193 HydrophobicContact CD1-CD1 4.17Å; I163-L193 HydrophobicContact CD1-CD2 4.1Å; I163-L193 HydrophobicContact CD1-CG 4.38Å; I163-L193 HydrophobicContact CG2-CD2 4.01Å; T165-L193 HydrophobicContact CG2-CD2 3.81Å; L169-L193 HydrophobicContact CD1-CB 4.06Å; L169-L193 HydrophobicContact CD1-CG 4.39Å; Y191-L193 PolarHBondContact O-N 2.7Å; L193-S196 PolarHBondContact O-N 2.81Å; L193-L197 HydrophobicContact CG-CD1 4.27Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.31Å; L193-L197 PolarHBondContact O-N 2.7Å
194S87.1Confident85Confident6 Ų653 Ų534%0.04230%0.3CS..Hα-helixtrans-66.1-46.9176.4-168.60000110.6S170 Y191 G192 S196 L197 K198 L204 D355S170-S194 WeakPolarHBondContact OG-CB 3.35Å; S170-S194 PolarHBondContact OG-OG 3.33Å; Y191-S194 PolarHBondContact O-N 2.58Å; G192-S194 VanDerWaalsContact C-N 3.31Å; G192-S194 PolarHBondContact O-N 3.05Å; S194-S196 VanDerWaalsContact C-N 3.27Å; S194-S196 PolarHBondContact O-N 2.96Å; S194-L197 PolarHBondContact O-N 3.25Å; S194-K198 WeakPolarHBondContact O-CB 3.4Å; S194-K198 PolarHBondContact O-N 3.34Å; S194-L204 WeakPolarHBondContact OG-CD1 3.49Å; S194-D355 PolarHBondContact OG-OD2 3.26Å
195A88.1Confident85.5Confident57 Ų5754.5 Ų54.547%0.47132%0.315SS..Hα-helixtrans-59.8-40.2176.600000111.4Y191 G192 K198 R199Y191-A195 PolarHBondContact O-N 2.99Å; Y191-A195 VanDerWaalsContact O-N 3.11Å; G192-A195 WeakPolarHBondContact O-CB 3.47Å; G192-A195 PolarHBondContact O-N 3.45Å; A195-K198 PolarHBondContact O-N 3.32Å; A195-R199 WeakPolarHBondContact O-CB 3.31Å; A195-R199 PolarHBondContact O-N 2.84Å
196S90.5Very high86.1Confident2 Ų254.8 Ų54.81%0.01431%0.311CS..Hα-helixtrans-62.2-51.2174.9-62.50000112.3D133 G192 L193 S194 K198 R199 L200D133-S196 WeakPolarHBondContact OD1-CB 3.49Å; D133-S196 PolarHBondContact OD1-OG 3.35Å; G192-S196 PolarHBondContact O-N 3.2Å; G192-S196 PolarHBondContact O-OG 3.42Å; G192-S196 VanDerWaalsContact O-OG 3.1Å; L193-S196 PolarHBondContact O-N 2.81Å; S194-S196 VanDerWaalsContact C-N 3.27Å; S194-S196 PolarHBondContact O-N 2.96Å; S196-K198 VanDerWaalsContact C-N 3.3Å; S196-K198 PolarHBondContact O-N 3.35Å; S196-R199 WeakPolarHBondContact O-CB 3.29Å; S196-R199 PolarHBondContact O-N 3.22Å; S196-R199 VanDerWaalsContact O-N 3.17Å; S196-R199 PolarHBondContact OG-NH2 3.43Å; S196-L200 VanDerWaalsContact O-CD1 3.31Å; S196-L200 WeakPolarHBondContact O-CD1 3.29Å; S196-L200 WeakPolarHBondContact O-CG 3.44Å; S196-L200 PolarHBondContact O-N 3.2Å; S196-L200 VanDerWaalsContact O-N 3.09Å
197L92.2Very high86.7Confident0 Ų051.3 Ų51.30%027%0.274CS..Hα-helixtrans-59.1-42.4178.2-71.2165.6000111.6L134 I163 L169 L193 S194 L200 G201 A202 I357 L374 I380L134-L197 HydrophobicContact CD1-CD2 4.38Å; I163-L197 HydrophobicContact CD1-CD1 4.28Å; I163-L197 HydrophobicContact CD1-CD2 4.09Å; L169-L197 HydrophobicContact CD2-CD1 4.1Å; L193-L197 HydrophobicContact CG-CD1 4.27Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.31Å; L193-L197 PolarHBondContact O-N 2.7Å; S194-L197 PolarHBondContact O-N 3.25Å; L197-L200 PolarHBondContact O-N 2.95Å; L197-L200 VanDerWaalsContact O-N 3.14Å; L197-G201 PolarHBondContact O-N 2.91Å; L197-A202 HydrophobicContact CB-CB 4.03Å; L197-A202 WeakPolarHBondContact O-CB 3.31Å; L197-A202 PolarHBondContact O-N 3.35Å; L197-I357 HydrophobicContact CB-CD1 4.29Å; L197-I357 HydrophobicContact CD1-CD1 3.93Å; L197-I357 HydrophobicContact CD2-CD1 4.16Å; L197-I357 HydrophobicContact CG-CD1 4.35Å; L197-L374 HydrophobicContact CD2-CD2 3.99Å; L197-I380 HydrophobicContact CD1-CD1 4.1Å
198K92.2Very high87Confident148 Ų14852 Ų5264%0.64328%0.276SS*.Hα-helixtrans-60.6-46.1175.5-164.1174.8-179.4175.90112.1S194 A195 S196 L200 G201 L204S194-K198 WeakPolarHBondContact O-CB 3.4Å; S194-K198 PolarHBondContact O-N 3.34Å; A195-K198 PolarHBondContact O-N 3.32Å; S196-K198 VanDerWaalsContact C-N 3.3Å; S196-K198 PolarHBondContact O-N 3.35Å; K198-L200 PolarHBondContact O-N 2.93Å; K198-G201 PolarHBondContact O-N 3.4Å; K198-L204 HydrophobicContact CB-CD1 3.69Å; K198-L204 HydrophobicContact CD-CD1 4.33Å; K198-L204 HydrophobicContact CG-CD1 4.13Å
199R92Very high87.3Confident147 Ų14748.2 Ų48.256%0.55525%0.248SC*.Hα-helixtrans-59.1-27.4177-176.8177.265.9-128.94.7112.1D133 A195 S196 G201D133-R199 VanDerWaalsContact CG-NH2 3.27Å; D133-R199 IonicContact OD1-NH2 3.77Å; D133-R199 PolarHBondContact OD1-NH2 3.43Å; D133-R199 IonicContact OD2-CZ 2.63Å; D133-R199 IonicContact OD2-NH1 3.83Å; D133-R199 IonicContact OD2-NH2 2.66Å; D133-R199 PolarHBondContact OD2-NH2 2.87Å; A195-R199 WeakPolarHBondContact O-CB 3.31Å; A195-R199 PolarHBondContact O-N 2.84Å; S196-R199 WeakPolarHBondContact O-CB 3.29Å; S196-R199 PolarHBondContact O-N 3.22Å; S196-R199 VanDerWaalsContact O-N 3.17Å; S196-R199 PolarHBondContact OG-NH2 3.43Å; R199-G201 VanDerWaalsContact C-N 3.34Å
200L88.5Confident87.9Confident36 Ų3648.7 Ų48.719%0.18826%0.255CS..THydrogen-bonded Turntrans-89.85.7-180-60.7163.4000114.3L134 I136 S196 L197 K198 F370 M371L134-L200 HydrophobicContact CD1-CD1 4.25Å; I136-L200 HydrophobicContact CD1-CD1 3.98Å; I136-L200 HydrophobicContact CD1-CD2 3.19Å; I136-L200 HydrophobicContact CD1-CG 4.11Å; I136-L200 HydrophobicContact CG1-CD2 4.29Å; S196-L200 VanDerWaalsContact O-CD1 3.31Å; S196-L200 WeakPolarHBondContact O-CD1 3.29Å; S196-L200 WeakPolarHBondContact O-CG 3.44Å; S196-L200 PolarHBondContact O-N 3.2Å; S196-L200 VanDerWaalsContact O-N 3.09Å; L197-L200 PolarHBondContact O-N 2.95Å; L197-L200 VanDerWaalsContact O-N 3.14Å; K198-L200 PolarHBondContact O-N 2.93Å; L200-F370 HydrophobicContact CB-CD2 4.47Å; L200-F370 HydrophobicContact CB-CE2 4.41Å; L200-M371 HydrophobicContact CB-CE 4.12Å; L200-M371 HydrophobicContact CD1-CE 3.34Å; L200-M371 HydrophobicContact CD1-SD 4.39Å; L200-M371 HydrophobicContact CD2-CE 3.64Å; L200-M371 HydrophobicContact CG-CE 3.83Å
201G87.1Confident88.5Confident45 Ų4548 Ų4846%0.46425%0.249SC..THydrogen-bonded Turntrans91.113.1177.100000114.6L197 K198 R199 R203 Q361L197-G201 PolarHBondContact O-N 2.91Å; K198-G201 PolarHBondContact O-N 3.4Å; R199-G201 VanDerWaalsContact C-N 3.34Å; G201-R203 PolarHBondContact O-N 3.04Å; G201-Q361 PolarHBondContact O-NE2 3.22Å
202A93Very high89.4Confident8 Ų842.3 Ų42.37%0.06623%0.227CC..  trans-66.5129.9170.100000110.6L197 L204 I357 F370L197-A202 HydrophobicContact CB-CB 4.03Å; L197-A202 WeakPolarHBondContact O-CB 3.31Å; L197-A202 PolarHBondContact O-N 3.35Å; A202-L204 PolarHBondContact O-N 3.15Å; A202-I357 HydrophobicContact CB-CD1 3.75Å; A202-I357 HydrophobicContact CB-CG1 4.05Å; A202-F370 HydrophobicContact CB-CE1 4.27Å; A202-F370 HydrophobicContact CB-CE2 4.49Å; A202-F370 HydrophobicContact CB-CZ 3.89Å
203R93.5Very high90Very high116 Ų11641.4 Ų41.444%0.43822%0.218SC..  trans-83.395.2171-62.7-171-61-137.57.9107.9G201 D358 Q361G201-R203 PolarHBondContact O-N 3.04Å; R203-D358 HydrophobicContact CB-CB 4.38Å; R203-D358 IonicContact CZ-OD2 3.05Å; R203-D358 IonicContact NE-OD2 2.86Å; R203-D358 IonicContact NH2-OD2 2.68Å; R203-D358 PolarHBondContact NH2-OD2 3.34Å; R203-D358 PolarHBondContact O-N 3.49Å; R203-D358 VanDerWaalsContact O-N 3.15Å; R203-Q361 VanDerWaalsContact CB-OE1 3.28Å
204L90.7Very high90.5Very high46 Ų4642.3 Ų42.324%0.24122%0.221CC..EExtended strand (participates in β ladder)trans-83.5138.9176.6-63.4167.4000110.5L169 S194 K198 A202 D355 Y356 I357L169-L204 HydrophobicContact CD2-CD2 4.45Å; S194-L204 WeakPolarHBondContact OG-CD1 3.49Å; K198-L204 HydrophobicContact CB-CD1 3.69Å; K198-L204 HydrophobicContact CD-CD1 4.33Å; K198-L204 HydrophobicContact CG-CD1 4.13Å; A202-L204 PolarHBondContact O-N 3.15Å; L204-D355 HydrophobicContact CD2-CB 4.33Å; L204-Y356 WeakPolarHBondContact CA-O 3.11Å; L204-I357 HydrophobicContact CD2-CD1 4.24Å; L204-I357 HydrophobicContact CD2-CG1 3.49Å; L204-I357 VanDerWaalsContact CD2-CG1 3.49Å
205S89.8Confident91Very high60 Ų6042 Ų4242%0.4222%0.219SC..EExtended strand (participates in β ladder)trans-135.6177.8165.8-179.40000108.1D355 Y356S205-D355 WeakPolarHBondContact O-CA 3.49Å; S205-Y356 VanDerWaalsContact C-CD1 3.45Å; S205-Y356 PolarHBondContact N-O 3.28Å; S205-Y356 VanDerWaalsContact O-CD1 3.22Å; S205-Y356 WeakPolarHBondContact O-CD1 3.41Å; S205-Y356 PolarHBondContact O-N 3.29Å
206R88.5Confident91.5Very high83 Ų8340.7 Ų40.731%0.31321%0.205SC..EExtended strand (participates in β ladder)trans-119137.9-177.6-57.3-165.787.8-157.1-1.5111.7S170 E172 Q353 Y354 D355S170-R206 PolarHBondContact O-NH2 3Å; E172-R206 IonicContact OE2-CZ 3.73Å; E172-R206 IonicContact OE2-NH1 3.56Å; E172-R206 PolarHBondContact OE2-NH1 3.37Å; E172-R206 VanDerWaalsContact OE2-NH1 3.08Å; E172-R206 IonicContact OE2-NH2 3.39Å; R206-Q353 HydrophobicContact CB-CG 3.93Å; R206-Q353 VanDerWaalsContact CB-NE2 3.29Å; R206-Q353 PolarHBondContact NH2-O 3.25Å; R206-Y354 VanDerWaalsContact CA-O 3.29Å; R206-Y354 WeakPolarHBondContact CA-O 3.4Å; R206-D355 WeakPolarHBondContact CG-OD1 3.47Å; R206-D355 IonicContact NE-OD1 2.85Å; R206-D355 PolarHBondContact NE-OD1 3.31Å; R206-D355 VanDerWaalsContact NE-OD1 3.16Å
207L88.2Confident91.8Very high6 Ų642.2 Ų42.23%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-115.6156.3172.1-72.7173.1000110.6Q353 Y354 Y356 G382 P434L207-Q353 VanDerWaalsContact O-CA 3.26Å; L207-Q353 WeakPolarHBondContact O-CA 3.27Å; L207-Y354 HydrophobicContact CB-CE1 4.49Å; L207-Y354 HydrophobicContact CB-CE2 4.15Å; L207-Y354 PolarHBondContact N-O 3.27Å; L207-Y354 PolarHBondContact O-N 2.76Å; L207-Y356 HydrophobicContact CB-CD1 4.29Å; L207-Y356 HydrophobicContact CD1-CD1 3.77Å; L207-Y356 HydrophobicContact CD1-CD2 4.04Å; L207-Y356 HydrophobicContact CD1-CE1 4.05Å; L207-Y356 HydrophobicContact CD1-CE2 4.32Å; L207-Y356 HydrophobicContact CD1-CG 3.74Å; L207-Y356 HydrophobicContact CD2-CD1 4.41Å; L207-Y356 HydrophobicContact CD2-CE1 3.99Å; L207-Y356 HydrophobicContact CG-CD1 3.46Å; L207-Y356 VanDerWaalsContact CG-CD1 3.46Å; L207-Y356 HydrophobicContact CG-CE1 3.53Å; L207-Y356 HydrophobicContact CG-CG 3.99Å; L207-G382 VanDerWaalsContact CD1-CA 3.49Å; L207-P434 HydrophobicContact CB-CG 4.3Å; L207-P434 HydrophobicContact CD1-CG 4.27Å; L207-P434 HydrophobicContact CD2-CG 4.15Å; L207-P434 HydrophobicContact CG-CG 4.46Å
208R85.4Confident92.1Very high44 Ų4447.5 Ų47.517%0.16626%0.255CS..EExtended strand (participates in β ladder)trans-122.4140177.3-69.7179.2177.1163.5-0.2110.7F174 H276 V352 Q353F174-R208 HydrophobicContact CE1-CG 4.18Å; F174-R208 HydrophobicContact CZ-CB 4.21Å; F174-R208 HydrophobicContact CZ-CG 4.12Å; R208-H276 PolarHBondContact NH1-O 2.84Å; R208-V352 WeakPolarHBondContact CA-O 3.42Å; R208-Q353 HydrophobicContact CG-CB 3.96Å; R208-Q353 HydrophobicContact CG-CG 3.88Å
209T85.2Confident92.4Very high26 Ų2641.8 Ų41.816%0.1623%0.233CC..EExtended strand (participates in β ladder)trans-140.8155.1170.859.70000109.9G351 V352 Y354 P434T209-G351 CarbonylContact O-C 3.58Å; T209-G351 VanDerWaalsContact O-CA 3.29Å; T209-G351 WeakPolarHBondContact O-CA 3.21Å; T209-V352 PolarHBondContact N-O 3.49Å; T209-V352 PolarHBondContact O-N 3.09Å; T209-V352 VanDerWaalsContact OG1-CG1 3.28Å; T209-V352 WeakPolarHBondContact OG1-CG1 3.3Å; T209-Y354 HydrophobicContact CG2-CE1 4.14Å; T209-P434 HydrophobicContact CG2-CB 4.42Å; T209-P434 HydrophobicContact CG2-CG 4.01Å
210G87.8Confident92.6Very high29 Ų2935.7 Ų35.730%0.29921%0.211SC..EExtended strand (participates in β ladder)trans-131152-179.800000112.8S322 Y350G210-S322 PolarHBondContact O-OG 3.41Å; G210-Y350 WeakPolarHBondContact CA-O 3.42Å
211T91.9Very high93.1Very high9 Ų937.8 Ų37.86%0.05522%0.223CC..EExtended strand (participates in β ladder)trans-120.4147.4176.9-173.50000109.6R214 G349 Y350T211-R214 PolarHBondContact OG1-NH1 2.92Å; T211-R214 VanDerWaalsContact OG1-NH1 3.08Å; T211-R214 PolarHBondContact OG1-NH2 2.68Å; T211-G349 WeakPolarHBondContact O-CA 3.3Å; T211-Y350 HydrophobicContact CG2-CD1 3.37Å; T211-Y350 HydrophobicContact CG2-CD2 4.39Å; T211-Y350 HydrophobicContact CG2-CE1 3.28Å; T211-Y350 HydrophobicContact CG2-CE2 4.31Å; T211-Y350 HydrophobicContact CG2-CG 3.97Å; T211-Y350 PolarHBondContact N-O 3.26Å; T211-Y350 PolarHBondContact O-N 3.43Å
212P95.3Very high93.5Very high1 Ų138 Ų381%0.00622%0.215CC..PPolyproline II helixtrans-72.6165.5175.529.3-32.2000111.4R214 Y317 P318 I321 S322 G349P212-R214 PolarHBondContact O-NH1 2.56Å; P212-Y317 WeakPolarHBondContact CD-OH 3.36Å; P212-Y317 HydrophobicContact CG-CD1 4.07Å; P212-Y317 HydrophobicContact CG-CD2 4.19Å; P212-Y317 HydrophobicContact CG-CE1 3.5Å; P212-Y317 VanDerWaalsContact CG-CE1 3.5Å; P212-Y317 HydrophobicContact CG-CE2 3.63Å; P212-Y317 HydrophobicContact CG-CG 4.37Å; P212-Y317 WeakPolarHBondContact CG-OH 3.49Å; P212-P318 HydrophobicContact CB-CG 4.11Å; P212-I321 HydrophobicContact CB-CG1 4.27Å; P212-S322 WeakPolarHBondContact CD-OG 3.34Å; P212-G349 VanDerWaalsContact C-CA 3.44Å
213P96.5Very high93.7Very high0 Ų042.9 Ų42.90%024%0.244CC..PPolyproline II helixtrans-57.4156.1164.124.8-33.2000111.3L215 P318 M323 V334 L345 R347 G349P213-L215 HydrophobicContact CB-CD2 4.41Å; P213-L215 HydrophobicContact CG-CD2 4.48Å; P213-P318 WeakPolarHBondContact O-CD 3.4Å; P213-P318 WeakPolarHBondContact O-CG 3.41Å; P213-M323 HydrophobicContact CG-CE 4.43Å; P213-V334 HydrophobicContact CG-CG2 3.96Å; P213-L345 HydrophobicContact CB-CD2 3.87Å; P213-L345 HydrophobicContact CB-CG 3.89Å; P213-R347 CarbonylContact C-O 3.52Å; P213-R347 VanDerWaalsContact CA-O 3.25Å; P213-R347 WeakPolarHBondContact CA-O 3.38Å; P213-R347 WeakPolarHBondContact CB-O 3.43Å; P213-G349 VanDerWaalsContact CA-N 3.28Å
214R97.2Very high93.6Very high19 Ų1939.8 Ų39.87%0.07225%0.249CC..EExtended strand (participates in β ladder)trans-98.7133.4166.6-61.8-55.1-174.7-91.9-8.1109S52 C53 T211 P212 E309 Y317 L345 A346 R347S52-R214 PolarHBondContact O-NH2 2.95Å; C53-R214 PolarHBondContact O-NH2 3.33Å; T211-R214 PolarHBondContact OG1-NH1 2.92Å; T211-R214 VanDerWaalsContact OG1-NH1 3.08Å; T211-R214 PolarHBondContact OG1-NH2 2.68Å; P212-R214 PolarHBondContact O-NH1 2.56Å; R214-E309 WeakPolarHBondContact CD-OE1 3.34Å; R214-E309 IonicContact CZ-OE1 3.88Å; R214-E309 IonicContact NE-OE1 3.84Å; R214-E309 PolarHBondContact NE-OE1 3.43Å; R214-Y317 VanDerWaalsContact NH1-CD2 3.33Å; R214-L345 CarbonylContact O-C 3.56Å; R214-L345 WeakPolarHBondContact O-CA 3.37Å; R214-A346 HydrophobicContact CB-CB 4.47Å; R214-A346 PolarHBondContact O-N 3.16Å; R214-R347 HydrophobicContact CB-CB 4.1Å; R214-R347 HydrophobicContact CB-CG 4.5Å; R214-R347 HydrophobicContact CG-CB 4.27Å; R214-R347 PolarHBondContact N-O 2.94Å; R214-R347 PolarHBondContact O-N 3.04Å
215L98.1Very high93.9Very high0 Ų038.4 Ų38.40%024%0.241CC..EExtended strand (participates in β ladder)trans-106.8146.2-177.4-48179.3000109.9P213 A217 V220 L315 V316 P318 V334 L340 A343 K344 L345P213-L215 HydrophobicContact CB-CD2 4.41Å; P213-L215 HydrophobicContact CG-CD2 4.48Å; L215-A217 PolarHBondContact O-N 2.95Å; L215-V220 HydrophobicContact CB-CG2 4.29Å; L215-V220 HydrophobicContact CD1-CG2 4.38Å; L215-L315 WeakPolarHBondContact O-CA 3.34Å; L215-V316 HydrophobicContact CB-CG2 3.78Å; L215-V316 PolarHBondContact N-O 2.76Å; L215-V316 VanDerWaalsContact N-O 3.1Å; L215-V316 PolarHBondContact O-N 3.02Å; L215-P318 HydrophobicContact CD1-CB 4.01Å; L215-P318 HydrophobicContact CD1-CG 3.91Å; L215-P318 HydrophobicContact CG-CG 3.96Å; L215-V334 HydrophobicContact CD1-CG1 4.13Å; L215-V334 HydrophobicContact CD2-CG1 3.83Å; L215-V334 HydrophobicContact CD2-CG2 4.34Å; L215-L340 HydrophobicContact CD1-CD1 3.88Å; L215-L340 HydrophobicContact CD1-CD2 3.92Å; L215-L340 HydrophobicContact CD1-CG 4.49Å; L215-A343 HydrophobicContact CD1-CB 4.35Å; L215-K344 WeakPolarHBondContact CA-O 3.43Å; L215-L345 HydrophobicContact CD2-CD1 3.77Å; L215-L345 HydrophobicContact CD2-CG 4.11Å
216V98.3Very high94.3Very high30 Ų3040.9 Ų40.918%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-72.6118.6172.2-178.80000108.8S218 T219 E314 K344 A346V216-S218 VanDerWaalsContact C-N 3.31Å; V216-S218 WeakPolarHBondContact CG1-OG 3.35Å; V216-S218 PolarHBondContact O-N 2.92Å; V216-T219 HydrophobicContact CB-CG2 4.12Å; V216-T219 HydrophobicContact CG1-CG2 4.1Å; V216-T219 PolarHBondContact O-N 3.1Å; V216-T219 PolarHBondContact O-OG1 3.39Å; V216-E314 CarbonylContact C-O 3.57Å; V216-E314 WeakPolarHBondContact CA-O 3.3Å; V216-K344 HydrophobicContact CB-CB 4.33Å; V216-K344 HydrophobicContact CG2-CB 4.05Å; V216-K344 PolarHBondContact N-O 3.28Å; V216-A346 HydrophobicContact CG2-CB 3.92Å
217A97.3Very high94.7Very high34 Ų3439.7 Ų39.728%0.28125%0.25SS..G310 helixtrans-55.2-43.3-173.100000112.8L215 T219 V220 E314 V316L215-A217 PolarHBondContact O-N 2.95Å; A217-T219 PolarHBondContact O-N 2.93Å; A217-T219 VanDerWaalsContact O-N 3.08Å; A217-V220 PolarHBondContact O-N 2.77Å; A217-V220 VanDerWaalsContact O-N 3.14Å; A217-E314 WeakPolarHBondContact CB-O 3.15Å; A217-E314 PolarHBondContact N-O 2.84Å; A217-V316 HydrophobicContact CB-CG1 3.84Å
218S97.2Very high95Very high111 Ų11142.3 Ų42.378%0.77626%0.261SS*.G310 helixtrans-66.3-9.6-179.858.50000114.6V216V216-S218 VanDerWaalsContact C-N 3.31Å; V216-S218 WeakPolarHBondContact CG1-OG 3.35Å; V216-S218 PolarHBondContact O-N 2.92Å
219T97.9Very high95.5Very high28 Ų2844.3 Ų44.317%0.17228%0.28CS..G310 helixtrans-104-0.9179.267.10000113.4V216 A217 N342 A343 K344V216-T219 HydrophobicContact CB-CG2 4.12Å; V216-T219 HydrophobicContact CG1-CG2 4.1Å; V216-T219 PolarHBondContact O-N 3.1Å; V216-T219 PolarHBondContact O-OG1 3.39Å; A217-T219 PolarHBondContact O-N 2.93Å; A217-T219 VanDerWaalsContact O-N 3.08Å; T219-N342 CarbonylContact O-C 3.39Å; T219-A343 WeakPolarHBondContact OG1-CA 3.3Å; T219-K344 HydrophobicContact CG2-CB 4.17Å; T219-K344 HydrophobicContact CG2-CD 4.01Å; T219-K344 HydrophobicContact CG2-CG 3.95Å; T219-K344 PolarHBondContact OG1-N 2.93Å
220V97.9Very high95.9Very high18 Ų1843.6 Ų43.611%0.10928%0.278CS..  trans-94.6120.6176.7173.30000109.1L215 A217 T222 I306 V316 L340 A343L215-V220 HydrophobicContact CB-CG2 4.29Å; L215-V220 HydrophobicContact CD1-CG2 4.38Å; A217-V220 PolarHBondContact O-N 2.77Å; A217-V220 VanDerWaalsContact O-N 3.14Å; V220-T222 HydrophobicContact CG1-CG2 4.16Å; V220-T222 PolarHBondContact O-N 3.32Å; V220-I306 HydrophobicContact CG1-CG2 4.28Å; V220-V316 HydrophobicContact CG2-CG2 3.94Å; V220-L340 HydrophobicContact CB-CD2 4.23Å; V220-L340 HydrophobicContact CG1-CD2 3.65Å; V220-L340 HydrophobicContact CG2-CD2 3.73Å; V220-A343 HydrophobicContact CG2-CB 4.4Å
221D97.9Very high96.2Very high80 Ų8043.9 Ų43.943%0.42827%0.271SS..  trans-86.1107.2173.6-174.26.3000109.6T223 G339D221-T223 VanDerWaalsContact C-N 3.28Å; D221-T223 WeakPolarHBondContact OD1-CA 3.26Å; D221-T223 WeakPolarHBondContact OD1-CB 3.44Å; D221-T223 PolarHBondContact OD1-N 3.36Å; D221-T223 PolarHBondContact OD1-OG1 3.04Å; D221-G339 PolarHBondContact N-O 3.49Å; D221-G339 WeakPolarHBondContact O-CA 3.37Å
222T96.5Very high96.3Very high50 Ų5049.2 Ų49.231%0.30731%0.306SS..  trans-85.3-3.7177.658.70000112.7V220 G224 L225 Y255V220-T222 HydrophobicContact CG1-CG2 4.16Å; V220-T222 PolarHBondContact O-N 3.32Å; T222-G224 PolarHBondContact O-N 3.28Å; T222-L225 WeakPolarHBondContact O-CB 3.35Å; T222-L225 PolarHBondContact O-N 3.41Å; T222-L225 VanDerWaalsContact O-N 3.07Å; T222-Y255 HydrophobicContact CG2-CD1 4.13Å; T222-Y255 HydrophobicContact CG2-CD2 3.77Å; T222-Y255 HydrophobicContact CG2-CE1 4.11Å; T222-Y255 HydrophobicContact CG2-CE2 3.76Å; T222-Y255 HydrophobicContact CG2-CG 3.96Å
223T95.6Very high96.2Very high110 Ų11055.1 Ų55.168%0.67533%0.332SS*.THydrogen-bonded Turntrans-62.5120-178.8-490000110.5D221 L225D221-T223 VanDerWaalsContact C-N 3.28Å; D221-T223 WeakPolarHBondContact OD1-CA 3.26Å; D221-T223 WeakPolarHBondContact OD1-CB 3.44Å; D221-T223 PolarHBondContact OD1-N 3.36Å; D221-T223 PolarHBondContact OD1-OG1 3.04Å; T223-L225 PolarHBondContact O-N 2.94Å
224G92.9Very high96.1Very high52 Ų5255.9 Ų55.954%0.53634%0.337SS..THydrogen-bonded Turntrans754.1-179.300000115.2T222 R338T222-G224 PolarHBondContact O-N 3.28Å; G224-R338 PolarHBondContact O-NH2 3.31Å
225L97Very high95.9Very high16 Ų1656.1 Ų56.18%0.08434%0.341CS..SBendtrans-74.7153.1163.5-57.2-169000109.9T222 T223 C227 Y255 R338T222-L225 WeakPolarHBondContact O-CB 3.35Å; T222-L225 PolarHBondContact O-N 3.41Å; T222-L225 VanDerWaalsContact O-N 3.07Å; T223-L225 PolarHBondContact O-N 2.94Å; L225-C227 PolarHBondContact O-N 3.14Å; L225-Y255 HydrophobicContact CB-CD1 4.31Å; L225-R338 HydrophobicContact CD2-CG 4.14Å
226H97Very high95.8Very high113 Ų11356.7 Ų56.752%0.52334%0.344SS..EExtended strand (participates in β ladder)trans-76.6115.8178-174.7-80.3000110F228 Y255 L256H226-F228 HydrophobicContact CB-CE2 4.48Å; H226-F228 AromaticContact CE1-CD2 3.94Å; H226-F228 AromaticContact CE1-CE1 3.77Å; H226-F228 AromaticContact CE1-CE2 3.46Å; H226-F228 VanDerWaalsContact CE1-CE2 3.46Å; H226-F228 WeakPolarHBondContact CE1-CE2 3.23Å; H226-F228 AromaticContact CE1-CZ 3.35Å; H226-F228 WeakPolarHBondContact CE1-CZ 3.2Å; H226-F228 AromaticContact CG-CE2 3.92Å; H226-F228 AromaticContact ND1-CD2 3.3Å; H226-F228 VanDerWaalsContact ND1-CD2 3.3Å; H226-F228 WeakPolarHBondContact ND1-CD2 3.46Å; H226-F228 AromaticContact ND1-CE2 2.86Å; H226-F228 WeakPolarHBondContact ND1-CE2 3.46Å; H226-F228 AromaticContact ND1-CZ 3.28Å; H226-F228 VanDerWaalsContact ND1-CZ 3.28Å; H226-F228 WeakPolarHBondContact ND1-CZ 3.47Å; H226-Y255 WeakPolarHBondContact O-CA 3.2Å; H226-L256 HydrophobicContact CB-CB 4.37Å; H226-L256 PolarHBondContact N-O 3.04Å; H226-L256 PolarHBondContact O-N 2.71Å
227C96.8Very high95.7Very high58 Ų5855.4 Ų55.439%0.39234%0.336SS..EExtended strand (participates in β ladder)trans-81.6134.7179.7-175.90000111.3L225 P253 Y255L225-C227 PolarHBondContact O-N 3.14Å; C227-P253 VanDerWaalsContact SG-CB 3.57Å; C227-Y255 HydrophobicContact CB-CD1 4.17Å; C227-Y255 HydrophobicContact CB-CE1 4.02Å
228F95.8Very high95.7Very high60 Ų6053.8 Ų53.826%0.26332%0.323SS..EExtended strand (participates in β ladder)trans-120.294.7172.2-76-90.3000109.1H226 C254 L256 W305H226-F228 HydrophobicContact CB-CE2 4.48Å; H226-F228 AromaticContact CE1-CD2 3.94Å; H226-F228 AromaticContact CE1-CE1 3.77Å; H226-F228 AromaticContact CE1-CE2 3.46Å; H226-F228 VanDerWaalsContact CE1-CE2 3.46Å; H226-F228 WeakPolarHBondContact CE1-CE2 3.23Å; H226-F228 AromaticContact CE1-CZ 3.35Å; H226-F228 WeakPolarHBondContact CE1-CZ 3.2Å; H226-F228 AromaticContact CG-CE2 3.92Å; H226-F228 AromaticContact ND1-CD2 3.3Å; H226-F228 VanDerWaalsContact ND1-CD2 3.3Å; H226-F228 WeakPolarHBondContact ND1-CD2 3.46Å; H226-F228 AromaticContact ND1-CE2 2.86Å; H226-F228 WeakPolarHBondContact ND1-CE2 3.46Å; H226-F228 AromaticContact ND1-CZ 3.28Å; H226-F228 VanDerWaalsContact ND1-CZ 3.28Å; H226-F228 WeakPolarHBondContact ND1-CZ 3.47Å; F228-C254 PolarHBondContact N-O 2.93Å; F228-C254 PolarHBondContact O-N 3.49Å; F228-L256 HydrophobicContact CD2-CB 4.03Å; F228-L256 HydrophobicContact CE2-CB 3.58Å; F228-L256 HydrophobicContact CE2-CD2 3.77Å; F228-L256 HydrophobicContact CE2-CG 4.3Å; F228-L256 HydrophobicContact CZ-CD2 4.21Å; F228-W305 HydrophobicContact CB-CH2 4.29Å; F228-W305 HydrophobicContact CB-CZ3 3.82Å; F228-W305 AromaticContact CD1-CH2 3.86Å; F228-W305 HydrophobicContact CD1-CH2 3.86Å; F228-W305 HydrophobicContact CD1-CZ3 4.26Å; F228-W305 HydrophobicContact CD2-CE3 4.38Å; F228-W305 AromaticContact CD2-CH2 3.39Å; F228-W305 HydrophobicContact CD2-CH2 3.39Å; F228-W305 AromaticContact CD2-CZ3 3.28Å; F228-W305 HydrophobicContact CD2-CZ3 3.28Å; F228-W305 AromaticContact CE1-CH2 3.95Å; F228-W305 HydrophobicContact CE1-CH2 3.95Å; F228-W305 AromaticContact CE2-CH2 3.45Å; F228-W305 HydrophobicContact CE2-CH2 3.45Å; F228-W305 VanDerWaalsContact CE2-CH2 3.45Å; F228-W305 HydrophobicContact CE2-CZ2 4.28Å; F228-W305 AromaticContact CE2-CZ3 3.8Å; F228-W305 HydrophobicContact CE2-CZ3 3.8Å; F228-W305 AromaticContact CG-CH2 3.58Å; F228-W305 HydrophobicContact CG-CH2 3.58Å; F228-W305 AromaticContact CG-CZ3 3.53Å; F228-W305 HydrophobicContact CG-CZ3 3.53Å; F228-W305 AromaticContact CZ-CH2 3.75Å; F228-W305 HydrophobicContact CZ-CH2 3.75Å; F228-W305 HydrophobicContact CZ-CZ2 4.45Å; F228-W305 HydrophobicContact CZ-CZ3 4.49Å
229P95.1Very high95.7Very high87 Ų8750 Ų5057%0.56529%0.293SS*.PPolyproline II helixtrans-67.7167172.929.9-34.3000111.2Q88Q88-P229 PolarHBondContact NE2-O 3.11Å; Q88-P229 VanDerWaalsContact NE2-O 3.1Å
230G93.5Very high95.5Very high11 Ų1151.2 Ų51.211%0.11330%0.297CS..PPolyproline II helixtrans-67.5164.1169.300000111.9N86N86-G230 WeakPolarHBondContact ND2-CA 3.41Å; N86-G230 PolarHBondContact ND2-N 2.86Å; N86-G230 VanDerWaalsContact ND2-N 3.17Å
231E94Very high95.3Very high34 Ų3453 Ų5316%0.15931%0.306CS..PPolyproline II helixtrans-66.2138.8176.5-74.1-170.5119.400111.1Y87 Q88 I89 R92 K233 P234 Q251Y87-E231 PolarHBondContact O-N 3.33Å; Q88-E231 HydrophobicContact CG-CG 4.42Å; I89-E231 PolarHBondContact N-OE2 3.16Å; R92-E231 WeakPolarHBondContact CD-OE1 3.41Å; R92-E231 IonicContact CZ-OE1 2.79Å; R92-E231 IonicContact NE-OE1 3.19Å; R92-E231 VanDerWaalsContact NH1-CD 3.25Å; R92-E231 IonicContact NH1-OE1 2.76Å; R92-E231 PolarHBondContact NH1-OE1 3.4Å; R92-E231 IonicContact NH1-OE2 3.21Å; R92-E231 PolarHBondContact NH1-OE2 3.1Å; E231-K233 PolarHBondContact O-N 2.96Å; E231-P234 WeakPolarHBondContact O-CD 3.37Å; E231-Q251 PolarHBondContact O-NE2 3Å
232P94.2Very high94.9Very high121 Ų12156.9 Ų56.979%0.78632%0.319SS*.SBendtrans-60.3-30.1176.7-24.233.1000113.5P234 P248P232-P234 WeakPolarHBondContact O-CD 3.42Å; P232-P248 WeakPolarHBondContact O-CB 3.39Å
233K93.5Very high94.6Very high125 Ų12562 Ų6254%0.54334%0.339SS..SBendtrans-11980.3173-168.2169.1-172.7166.80109.1E231 E548E231-K233 PolarHBondContact O-N 2.96Å; K233-E548 WeakPolarHBondContact CE-OE1 3.32Å; K233-E548 IonicContact NZ-OE1 3.77Å; K233-E548 PolarHBondContact NZ-OE1 2.75Å; K233-E548 IonicContact NZ-OE2 2.93Å; K233-E548 PolarHBondContact NZ-OE2 2.73Å
234P94.7Very high94.5Very high16 Ų1657.2 Ų57.210%0.10431%0.31CS..PPolyproline II helixtrans-64.8140.9-177.229.3-36000110.2Y87 E231 P232 V244 P248Y87-P234 HydrophobicContact CD2-CB 3.94Å; Y87-P234 HydrophobicContact CG-CB 3.89Å; E231-P234 WeakPolarHBondContact O-CD 3.37Å; P232-P234 WeakPolarHBondContact O-CD 3.42Å; P234-V244 HydrophobicContact CB-CG1 4.03Å; P234-V244 HydrophobicContact CB-CG2 3.93Å; P234-V244 HydrophobicContact CG-CB 4.5Å; P234-V244 HydrophobicContact CG-CG1 4.29Å; P234-V244 HydrophobicContact CG-CG2 3.41Å; P234-V244 VanDerWaalsContact CG-CG2 3.41Å; P234-P248 HydrophobicContact CG-CG 4.08Å
235T93.9Very high94.6Very high25 Ų2559.9 Ų59.915%0.15330%0.304CS..PPolyproline II helixtrans-103.8125.4178.7-50.80000109.4Y101Y101-T235 HydrophobicContact CE1-CG2 3.63Å
236P95.5Very high94.4Very high12 Ų1260 Ų608%0.07830%0.304CS..PPolyproline II helixtrans-65.8152.6176.225.6-31.5000111.9D81 N241 V244D81-P236 WeakPolarHBondContact OD1-CA 3.44Å; D81-P236 WeakPolarHBondContact OD2-CB 3.44Å; P236-N241 HydrophobicContact CB-CB 3.91Å; P236-N241 HydrophobicContact CG-CB 4.27Å; P236-N241 WeakPolarHBondContact CG-O 3.44Å; P236-V244 HydrophobicContact CB-CG1 4.22Å
237F95.9Very high94.3Very high2 Ų259.1 Ų59.11%0.00930%0.303CS..SBendtrans-73.4-38.5172-87.6-85000112.2F57 M66 R67 C77 C80 D81 A103F57-F237 HydrophobicContact CB-CZ 4.44Å; M66-F237 HydrophobicContact CB-CD1 3.9Å; M66-F237 HydrophobicContact CB-CE1 4.01Å; M66-F237 HydrophobicContact CG-CE1 4.3Å; R67-F237 WeakPolarHBondContact CD-O 3.27Å; R67-F237 PolarHBondContact NH1-O 3.35Å; C77-F237 HydrophobicContact CB-CB 3.87Å; C80-F237 HydrophobicContact CB-CD2 4.09Å; D81-F237 PolarHBondContact OD1-N 3.34Å; D81-F237 PolarHBondContact OD2-N 3.27Å; A103-F237 HydrophobicContact CB-CD2 4.43Å; A103-F237 HydrophobicContact CB-CE2 3.61Å
238S97.2Very high94.1Very high1 Ų159 Ų591%0.00730%0.302CS..SBendtrans-81141.9-177.8-169.50000111.8D70 D81 M240D70-S238 VanDerWaalsContact CG-OG 3.26Å; D70-S238 WeakPolarHBondContact OD1-CB 3.42Å; D70-S238 PolarHBondContact OD1-OG 2.67Å; D70-S238 WeakPolarHBondContact OD2-CA 3.36Å; D70-S238 PolarHBondContact OD2-OG 2.66Å; D81-S238 WeakPolarHBondContact OD2-CB 3.07Å; D81-S238 PolarHBondContact OD2-N 3.26Å; S238-M240 PolarHBondContact O-N 3.49Å; S238-M240 PolarHBondContact OG-N 2.99Å
239F96.1Very high94.1Very high32 Ų3260.5 Ų60.514%0.1433%0.326CS..THydrogen-bonded Turntrans-68.7-17.8168.3-71.5-79.1000113.1R67 D70 A71 P450 D451 A453 D454R67-F239 HydrophobicContact CB-CE2 4.25Å; R67-F239 VanDerWaalsContact CZ-CE1 3.42Å; R67-F239 VanDerWaalsContact NE-CZ 3.33Å; D70-F239 HydrophobicContact CB-CD2 4.41Å; D70-F239 WeakPolarHBondContact OD2-CB 3.21Å; D70-F239 VanDerWaalsContact OD2-CD2 3.27Å; D70-F239 WeakPolarHBondContact OD2-CD2 3.35Å; D70-F239 PolarHBondContact OD2-N 2.96Å; A71-F239 HydrophobicContact CB-CE2 4.47Å; F239-P450 WeakPolarHBondContact CZ-O 3.44Å; F239-D451 WeakPolarHBondContact CE1-O 3.47Å; F239-A453 HydrophobicContact CE2-CB 3.96Å; F239-A453 HydrophobicContact CZ-CB 3.96Å; F239-D454 HydrophobicContact CD1-CB 4.06Å; F239-D454 WeakPolarHBondContact CD1-OD2 3.48Å; F239-D454 HydrophobicContact CD2-CB 3.98Å; F239-D454 HydrophobicContact CE1-CB 3.95Å; F239-D454 WeakPolarHBondContact CE1-OD1 3.37Å; F239-D454 WeakPolarHBondContact CE1-OD2 3.49Å; F239-D454 HydrophobicContact CE2-CB 3.96Å; F239-D454 HydrophobicContact CG-CB 4.03Å; F239-D454 HydrophobicContact CZ-CB 3.93Å
240M95.3Very high94.1Very high53 Ų5361.6 Ų61.626%0.26133%0.326SS..THydrogen-bonded Turntrans-83.1-18.9179.9-62.2-60.8-66.300112.8S238 E470 R471S238-M240 PolarHBondContact O-N 3.49Å; S238-M240 PolarHBondContact OG-N 2.99Å; M240-E470 HydrophobicContact CE-CG 4.14Å; M240-R471 HydrophobicContact CE-CB 4.43Å; M240-R471 VanDerWaalsContact CG-CZ 3.44Å; M240-R471 HydrophobicContact SD-CB 3.95Å; M240-R471 HydrophobicContact SD-CG 3.83Å
241N93.4Very high94.3Very high56 Ų5662 Ų6230%0.29933%0.325SS..  trans-100130.8-177.1-67.7-30000110.2D81 P236D81-N241 WeakPolarHBondContact CB-ND2 3.39Å; D81-N241 PolarHBondContact OD2-ND2 3.45Å; P236-N241 HydrophobicContact CB-CB 3.91Å; P236-N241 HydrophobicContact CG-CB 4.27Å; P236-N241 WeakPolarHBondContact CG-O 3.44Å
242K88.9Confident94.4Very high161 Ų16162.2 Ų62.270%0.733%0.327SS*.SBendtrans-84.2-30.7175.6-62.7-178.5179.2-176.50112.5E546K242-E546 HydrophobicContact CD-CG 3.94Å; K242-E546 IonicContact NZ-OE1 2.74Å; K242-E546 PolarHBondContact NZ-OE1 3.46Å
243Q91.3Very high94.6Very high158 Ų15858.3 Ų58.374%0.73830%0.302SS*.SBendtrans-140.9158.4-179.164.9-172.225.300109.6
244V92.5Very high94.8Very high9 Ų952.4 Ų52.46%0.05528%0.276CS..  trans-74.5158.1170.6-55.50000110Y87 P234 P236 L246Y87-V244 HydrophobicContact CD1-CG1 3.84Å; Y87-V244 HydrophobicContact CD2-CB 4.41Å; Y87-V244 HydrophobicContact CD2-CG1 4.09Å; Y87-V244 HydrophobicContact CD2-CG2 4.34Å; Y87-V244 HydrophobicContact CE1-CB 4.27Å; Y87-V244 HydrophobicContact CE1-CG1 3.58Å; Y87-V244 HydrophobicContact CE2-CB 3.83Å; Y87-V244 HydrophobicContact CE2-CG1 3.84Å; Y87-V244 HydrophobicContact CE2-CG2 4.02Å; Y87-V244 HydrophobicContact CG-CG1 4.1Å; P234-V244 HydrophobicContact CB-CG1 4.03Å; P234-V244 HydrophobicContact CB-CG2 3.93Å; P234-V244 HydrophobicContact CG-CB 4.5Å; P234-V244 HydrophobicContact CG-CG1 4.29Å; P234-V244 HydrophobicContact CG-CG2 3.41Å; P234-V244 VanDerWaalsContact CG-CG2 3.41Å; P236-V244 HydrophobicContact CB-CG1 4.22Å; V244-L246 VanDerWaalsContact C-N 3.25Å; V244-L246 WeakPolarHBondContact CG2-O 3.37Å; V244-L246 PolarHBondContact O-N 3.22Å
245W94.7Very high94.9Very high108 Ų10854.3 Ų54.341%0.40928%0.282SS..SBendtrans-68-23.5-178.276.4-68.2000114.5D81 L82 G84 L109 F311D81-W245 WeakPolarHBondContact O-CB 3.45Å; D81-W245 PolarHBondContact O-N 2.75Å; L82-W245 HydrophobicContact CD2-CB 4.45Å; G84-W245 PolarHBondContact O-NE1 2.82Å; L109-W245 HydrophobicContact CD1-CH2 3.5Å; L109-W245 VanDerWaalsContact CD1-CH2 3.5Å; L109-W245 HydrophobicContact CD1-CZ2 3.57Å; W245-F311 HydrophobicContact CH2-CE2 4.18Å; W245-F311 AromaticContact CZ2-CE2 3.86Å; W245-F311 HydrophobicContact CZ2-CE2 3.86Å; W245-F311 HydrophobicContact CZ2-CZ 4.46Å
246L94Very high95.1Very high17 Ų1754.7 Ų54.79%0.08928%0.283CS..SBendtrans-97.8138.3-172.5-172.474.5000111.1V244 L250 Q251 F311V244-L246 VanDerWaalsContact C-N 3.25Å; V244-L246 WeakPolarHBondContact CG2-O 3.37Å; V244-L246 PolarHBondContact O-N 3.22Å; L246-L250 HydrophobicContact CD1-CB 3.91Å; L246-L250 HydrophobicContact CD1-CD1 4.41Å; L246-L250 HydrophobicContact CD2-CB 4.45Å; L246-L250 HydrophobicContact CG-CB 4.11Å; L246-Q251 HydrophobicContact CD2-CB 4.45Å; L246-Q251 HydrophobicContact CD2-CG 3.81Å; L246-F311 HydrophobicContact CD1-CE1 4.26Å; L246-F311 HydrophobicContact CD1-CE2 4.49Å; L246-F311 HydrophobicContact CD1-CZ 3.73Å; L246-F311 HydrophobicContact CD2-CE1 4.29Å; L246-F311 HydrophobicContact CD2-CZ 3.65Å; L246-F311 HydrophobicContact CG-CZ 4.34Å
247D94Very high95.2Very high95 Ų9554.8 Ų54.851%0.50828%0.283SS..  trans-57.6129167.8-172.1-49.1000109.9A249 L250D247-A249 PolarHBondContact O-N 3.49Å; D247-A249 WeakPolarHBondContact OD1-CB 3.27Å; D247-A249 PolarHBondContact OD1-N 2.86Å; D247-L250 HydrophobicContact CB-CD1 3.98Å; D247-L250 HydrophobicContact CB-CG 4.06Å; D247-L250 PolarHBondContact O-N 3.18Å
248P93.3Very high95.2Very high57 Ų5755.5 Ų55.537%0.3729%0.291SS..G310 helixtrans-51.6-30.9179.6-28.235.1000114.9P232 P234 L250 Q251P232-P248 WeakPolarHBondContact O-CB 3.39Å; P234-P248 HydrophobicContact CG-CG 4.08Å; P248-L250 VanDerWaalsContact C-N 3.29Å; P248-L250 PolarHBondContact O-N 3.45Å; P248-Q251 PolarHBondContact O-NE2 2.93Å
249A94.3Very high95.2Very high91 Ų9155.8 Ų55.875%0.75229%0.292SS*.G310 helixtrans-72.9-18.417900000113.8D247D247-A249 PolarHBondContact O-N 3.49Å; D247-A249 WeakPolarHBondContact OD1-CB 3.27Å; D247-A249 PolarHBondContact OD1-N 2.86Å
250L96.4Very high95.1Very high109 Ų10956.7 Ų56.757%0.57130%0.299SS*.G310 helixtrans-93.70.7180-61.7178.3000113.1L246 D247 P248 L252L246-L250 HydrophobicContact CD1-CB 3.91Å; L246-L250 HydrophobicContact CD1-CD1 4.41Å; L246-L250 HydrophobicContact CD2-CB 4.45Å; L246-L250 HydrophobicContact CG-CB 4.11Å; D247-L250 HydrophobicContact CB-CD1 3.98Å; D247-L250 HydrophobicContact CB-CG 4.06Å; D247-L250 PolarHBondContact O-N 3.18Å; P248-L250 VanDerWaalsContact C-N 3.29Å; P248-L250 PolarHBondContact O-N 3.45Å; L250-L252 PolarHBondContact O-N 2.86Å
251Q97.1Very high95.1Very high20 Ų2059.7 Ų59.79%0.09332%0.316CS..PPolyproline II helixtrans-61.5133.7178.8-73.7-178.789.100111.8C85 E231 L246 P248C85-Q251 CarbonylContact O-C 3.48Å; C85-Q251 WeakPolarHBondContact O-CA 3.47Å; C85-Q251 WeakPolarHBondContact O-CB 3.38Å; E231-Q251 PolarHBondContact O-NE2 3Å; L246-Q251 HydrophobicContact CD2-CB 4.45Å; L246-Q251 HydrophobicContact CD2-CG 3.81Å; P248-Q251 PolarHBondContact O-NE2 2.93Å
252L96.8Very high95.3Very high38 Ų3864 Ų6420%0.19933%0.332CS..PPolyproline II helixtrans-74.6132.3177.6-61.3177.6000110.3C85 N86 L250 P308 F311C85-L252 HydrophobicContact CB-CB 4.46Å; C85-L252 HydrophobicContact CB-CD1 3.91Å; C85-L252 HydrophobicContact CB-CG 4.15Å; C85-L252 PolarHBondContact O-N 3.49Å; N86-L252 WeakPolarHBondContact CB-O 3.4Å; N86-L252 PolarHBondContact ND2-O 3.35Å; L250-L252 PolarHBondContact O-N 2.86Å; L252-P308 HydrophobicContact CB-CG 3.83Å; L252-P308 HydrophobicContact CD1-CB 4.04Å; L252-P308 HydrophobicContact CD1-CG 4.06Å; L252-F311 HydrophobicContact CD1-CD1 3.86Å; L252-F311 HydrophobicContact CD1-CE1 4.07Å; L252-F311 HydrophobicContact CD1-CG 4.2Å; L252-F311 HydrophobicContact CD2-CD1 3.83Å; L252-F311 HydrophobicContact CD2-CE1 4Å; L252-F311 HydrophobicContact CG-CD1 3.83Å; L252-F311 HydrophobicContact CG-CE1 3.69Å; L252-F311 HydrophobicContact CG-CZ 4.4Å
253P96.9Very high95.6Very high39 Ų3956.3 Ų56.325%0.25330%0.299SS..PPolyproline II helixtrans-73153.1175.730.2-34.2000111.8C227 Y255C227-P253 VanDerWaalsContact SG-CB 3.57Å; P253-Y255 HydrophobicContact CB-CE2 4.28Å; P253-Y255 HydrophobicContact CG-CE2 3.92Å; P253-Y255 WeakPolarHBondContact CG-OH 3.14Å
254C97.6Very high95.8Very high2 Ų249.7 Ų49.71%0.01427%0.271CS..EExtended strand (participates in β ladder)trans-103.9155.6160.6-65.90000109.7Q104 F228 W305Q104-C254 PolarHBondContact NE2-SG 2.89Å; Q104-C254 VanDerWaalsContact NE2-SG 3.36Å; F228-C254 PolarHBondContact N-O 2.93Å; F228-C254 PolarHBondContact O-N 3.49Å; C254-W305 HydrophobicContact CB-CE3 4.04Å; C254-W305 HydrophobicContact CB-CZ3 4.21Å
255Y98.2Very high95.9Very high56 Ų5652 Ų5222%0.2229%0.29CS..EExtended strand (participates in β ladder)trans-120.7144.4178.7-57.9-93.3000111T222 L225 H226 C227 P253 W305 I306T222-Y255 HydrophobicContact CG2-CD1 4.13Å; T222-Y255 HydrophobicContact CG2-CD2 3.77Å; T222-Y255 HydrophobicContact CG2-CE1 4.11Å; T222-Y255 HydrophobicContact CG2-CE2 3.76Å; T222-Y255 HydrophobicContact CG2-CG 3.96Å; L225-Y255 HydrophobicContact CB-CD1 4.31Å; H226-Y255 WeakPolarHBondContact O-CA 3.2Å; C227-Y255 HydrophobicContact CB-CD1 4.17Å; C227-Y255 HydrophobicContact CB-CE1 4.02Å; P253-Y255 HydrophobicContact CB-CE2 4.28Å; P253-Y255 HydrophobicContact CG-CE2 3.92Å; P253-Y255 WeakPolarHBondContact CG-OH 3.14Å; Y255-W305 CarbonylContact O-C 3.4Å; Y255-W305 WeakPolarHBondContact O-CA 3.31Å; Y255-I306 PolarHBondContact N-O 3.3Å; Y255-I306 VanDerWaalsContact N-O 3.07Å; Y255-I306 PolarHBondContact O-N 3.28Å
256L97.9Very high95.9Very high32 Ų3247.7 Ų47.717%0.16828%0.276CS..EExtended strand (participates in β ladder)trans-110127.6176.7-177.367.8000110.4H226 F228 Q303 W305H226-L256 HydrophobicContact CB-CB 4.37Å; H226-L256 PolarHBondContact N-O 3.04Å; H226-L256 PolarHBondContact O-N 2.71Å; F228-L256 HydrophobicContact CD2-CB 4.03Å; F228-L256 HydrophobicContact CE2-CB 3.58Å; F228-L256 HydrophobicContact CE2-CD2 3.77Å; F228-L256 HydrophobicContact CE2-CG 4.3Å; F228-L256 HydrophobicContact CZ-CD2 4.21Å; L256-Q303 HydrophobicContact CD1-CB 3.99Å; L256-Q303 HydrophobicContact CD1-CG 4.13Å; L256-W305 HydrophobicContact CD1-CD2 3.97Å; L256-W305 HydrophobicContact CD1-CG 4.18Å; L256-W305 HydrophobicContact CD1-CZ2 4.2Å
257T97.4Very high95.9Very high15 Ų1546.9 Ų46.99%0.09227%0.271CS..EExtended strand (participates in β ladder)trans-131.7-170.3169.2-168.90000109.2V304 I306 I337 R338T257-V304 HydrophobicContact CG2-CB 3.89Å; T257-V304 HydrophobicContact CG2-CG1 4.35Å; T257-V304 PolarHBondContact N-O 3.06Å; T257-V304 PolarHBondContact O-N 3.09Å; T257-I306 HydrophobicContact CG2-CD1 4.27Å; T257-I306 HydrophobicContact CG2-CG1 4.34Å; T257-I337 HydrophobicContact CG2-CG2 3.59Å; T257-R338 PolarHBondContact OG1-O 2.9Å
258G96.2Very high95.8Very high16 Ų1647.6 Ų47.617%0.16527%0.27CS..EExtended strand (participates in β ladder)trans-154.9155.6179.800000113.7H302G258-H302 CarbonylContact C-O 3.6Å; G258-H302 WeakPolarHBondContact CA-O 3.28Å
259T96.1Very high95.9Very high7 Ų750.1 Ų50.14%0.04328%0.277CS..  trans-68.7170.5169.369.30000110.8V263 L290 S301 H302 V304 I321 I337T259-V263 HydrophobicContact CG2-CG1 4.1Å; T259-L290 HydrophobicContact CG2-CD1 4.12Å; T259-S301 VanDerWaalsContact O-CB 3.23Å; T259-S301 WeakPolarHBondContact O-CB 3.42Å; T259-S301 PolarHBondContact O-OG 3.27Å; T259-H302 HydrophobicContact CG2-CB 4.25Å; T259-H302 PolarHBondContact N-O 3.19Å; T259-H302 WeakPolarHBondContact OG1-CB 3.36Å; T259-H302 PolarHBondContact OG1-N 3.3Å; T259-V304 HydrophobicContact CG2-CG2 3.95Å; T259-I321 HydrophobicContact CG2-CG2 4.19Å; T259-I337 HydrophobicContact CG2-CD1 4.42Å
260N95.6Very high95.8Very high51 Ų5146.5 Ų46.527%0.27324%0.244SC..  trans-147.2-176.9-179.755.847.3000110.7K262 V263 A264 C336N260-K262 VanDerWaalsContact C-N 3.27Å; N260-K262 PolarHBondContact O-N 3.44Å; N260-K262 WeakPolarHBondContact OD1-CB 3.24Å; N260-K262 PolarHBondContact OD1-N 3Å; N260-K262 VanDerWaalsContact OD1-N 3.09Å; N260-V263 WeakPolarHBondContact O-CB 3.5Å; N260-V263 PolarHBondContact O-N 3.47Å; N260-V263 VanDerWaalsContact O-N 3.13Å; N260-V263 PolarHBondContact OD1-N 3.27Å; N260-A264 PolarHBondContact O-N 2.82Å; N260-A264 VanDerWaalsContact O-N 3.1Å; N260-C336 PolarHBondContact ND2-O 3.28Å
261D95.4Very high95.5Very high116 Ų11642.6 Ų42.662%0.6222%0.223SC*.Hα-helixtrans-61.3-31.5-177.9-62.6-33.4000113.6A264 A265D261-A264 PolarHBondContact O-N 2.82Å; D261-A265 WeakPolarHBondContact O-CB 3.48Å; D261-A265 PolarHBondContact O-N 2.79Å
262K95.7Very high95.1Very high147 Ų14747 Ų4764%0.63924%0.244SC*.Hα-helixtrans-64.4-43175.6-64.3179177.1178.20111.1N260 A265 L266 C336N260-K262 VanDerWaalsContact C-N 3.27Å; N260-K262 PolarHBondContact O-N 3.44Å; N260-K262 WeakPolarHBondContact OD1-CB 3.24Å; N260-K262 PolarHBondContact OD1-N 3Å; N260-K262 VanDerWaalsContact OD1-N 3.09Å; K262-A265 PolarHBondContact O-N 3.13Å; K262-L266 WeakPolarHBondContact O-CG 3.29Å; K262-L266 PolarHBondContact O-N 3.26Å; K262-C336 HydrophobicContact CB-CB 4.33Å
263V96.1Very high94.7Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-60.9-46.3174.2172.10000110.5T259 N260 A265 L266 V267 L290 I294 I333 C336 I337T259-V263 HydrophobicContact CG2-CG1 4.1Å; N260-V263 WeakPolarHBondContact O-CB 3.5Å; N260-V263 PolarHBondContact O-N 3.47Å; N260-V263 VanDerWaalsContact O-N 3.13Å; N260-V263 PolarHBondContact OD1-N 3.27Å; V263-A265 VanDerWaalsContact C-N 3.31Å; V263-A265 PolarHBondContact O-N 3.29Å; V263-L266 PolarHBondContact O-N 2.82Å; V263-V267 HydrophobicContact CG1-CG2 4.43Å; V263-V267 WeakPolarHBondContact O-CB 3.16Å; V263-V267 WeakPolarHBondContact O-CG2 3.31Å; V263-V267 PolarHBondContact O-N 2.95Å; V263-L290 HydrophobicContact CG1-CD2 4.1Å; V263-I294 HydrophobicContact CG1-CD1 4.19Å; V263-I333 HydrophobicContact CG1-CG2 4.02Å; V263-C336 HydrophobicContact CG2-CB 3.69Å; V263-I337 HydrophobicContact CG2-CG1 3.89Å
264A94.6Very high94Very high19 Ų1945.1 Ų45.116%0.15723%0.232CC..Hα-helixtrans-61.9-38.7178.600000112.6N260 D261 K268 I294N260-A264 PolarHBondContact O-N 2.82Å; N260-A264 VanDerWaalsContact O-N 3.1Å; D261-A264 PolarHBondContact O-N 2.82Å; A264-K268 VanDerWaalsContact O-CG 3.29Å; A264-K268 WeakPolarHBondContact O-CG 3.42Å; A264-K268 PolarHBondContact O-N 3.4Å; A264-K268 VanDerWaalsContact O-N 3.14Å; A264-I294 HydrophobicContact CB-CD1 4.33Å; A264-I294 HydrophobicContact CB-CG2 4.14Å
265A94.8Very high92.8Very high56 Ų5652.2 Ų52.246%0.46326%0.258SS..Hα-helixtrans-64.5-49.3175.800000111.7D261 K262 V263 V267 K268 E269D261-A265 WeakPolarHBondContact O-CB 3.48Å; D261-A265 PolarHBondContact O-N 2.79Å; K262-A265 PolarHBondContact O-N 3.13Å; V263-A265 VanDerWaalsContact C-N 3.31Å; V263-A265 PolarHBondContact O-N 3.29Å; A265-V267 VanDerWaalsContact C-N 3.32Å; A265-V267 PolarHBondContact O-N 3.41Å; A265-K268 PolarHBondContact O-N 3.46Å; A265-E269 WeakPolarHBondContact O-CB 3.21Å; A265-E269 PolarHBondContact O-N 2.86Å
266L95.3Very high91.4Very high19 Ų1951 Ų5110%0.09926%0.255CS..Hα-helixtrans-59-42.2178.5-77173.6000112.5K262 V263 E269 H270 R332 I333 C336K262-L266 WeakPolarHBondContact O-CG 3.29Å; K262-L266 PolarHBondContact O-N 3.26Å; V263-L266 PolarHBondContact O-N 2.82Å; L266-E269 PolarHBondContact O-N 3.47Å; L266-H270 PolarHBondContact O-N 3.31Å; L266-H270 VanDerWaalsContact O-N 3.12Å; L266-H270 PolarHBondContact O-ND1 3.46Å; L266-R332 HydrophobicContact CD1-CB 4.26Å; L266-R332 VanDerWaalsContact CD2-NH2 3.3Å; L266-I333 HydrophobicContact CB-CG1 4.13Å; L266-I333 HydrophobicContact CD1-CG1 4.37Å; L266-C336 VanDerWaalsContact CD1-SG 3.52Å
267V93.3Very high89.9Confident0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-62.8-44.4177.5163.70000111.3V263 A265 I271 L290 E291 I294 F325 I333V263-V267 HydrophobicContact CG1-CG2 4.43Å; V263-V267 WeakPolarHBondContact O-CB 3.16Å; V263-V267 WeakPolarHBondContact O-CG2 3.31Å; V263-V267 PolarHBondContact O-N 2.95Å; A265-V267 VanDerWaalsContact C-N 3.32Å; A265-V267 PolarHBondContact O-N 3.41Å; V267-I271 PolarHBondContact O-N 2.95Å; V267-I271 VanDerWaalsContact O-N 3.14Å; V267-L290 HydrophobicContact CG2-CD2 4.26Å; V267-L290 HydrophobicContact CG2-CG 4.33Å; V267-E291 HydrophobicContact CG1-CB 3.91Å; V267-I294 HydrophobicContact CB-CD1 3.92Å; V267-I294 HydrophobicContact CG1-CB 4.17Å; V267-I294 HydrophobicContact CG1-CD1 4.01Å; V267-I294 HydrophobicContact CG1-CG2 4.25Å; V267-I294 HydrophobicContact CG2-CD1 3.77Å; V267-F325 HydrophobicContact CB-CZ 4.35Å; V267-F325 HydrophobicContact CG1-CE2 4.43Å; V267-F325 HydrophobicContact CG1-CZ 4.07Å; V267-F325 HydrophobicContact CG2-CE2 4.02Å; V267-F325 HydrophobicContact CG2-CZ 4.27Å; V267-I333 HydrophobicContact CG2-CD1 3.83Å; V267-I333 HydrophobicContact CG2-CG1 4.44Å
268K92.4Very high88.2Confident109 Ų10955.2 Ų55.247%0.47427%0.274SS..Hα-helixtrans-66.8-40.2178.8-73173.5-178179.60112A264 A265 H270 I271A264-K268 VanDerWaalsContact O-CG 3.29Å; A264-K268 WeakPolarHBondContact O-CG 3.42Å; A264-K268 PolarHBondContact O-N 3.4Å; A264-K268 VanDerWaalsContact O-N 3.14Å; A265-K268 PolarHBondContact O-N 3.46Å; K268-H270 PolarHBondContact O-N 3.13Å; K268-I271 WeakPolarHBondContact O-CG2 3.3Å
269E94.9Very high86.6Confident110 Ų11059.9 Ų59.951%0.51429%0.291SS..Hα-helixtrans-59.1-45.4177.1-175.9-172.3168.100111.5A265 L266 H272A265-E269 WeakPolarHBondContact O-CB 3.21Å; A265-E269 PolarHBondContact O-N 2.86Å; L266-E269 PolarHBondContact O-N 3.47Å; E269-H272 PolarHBondContact O-CE1 3.39Å; E269-H272 VanDerWaalsContact O-CE1 3.22Å; E269-H272 PolarHBondContact O-ND1 2.98Å
270H94.2Very high85.1Confident16 Ų1661.8 Ų61.87%0.07430%0.299CS..THydrogen-bonded Turntrans-97.78.2-172.4-59.985.9000114.2L266 K268 H272 L273 F325 I329 R332L266-H270 PolarHBondContact O-N 3.31Å; L266-H270 VanDerWaalsContact O-N 3.12Å; L266-H270 PolarHBondContact O-ND1 3.46Å; K268-H270 PolarHBondContact O-N 3.13Å; H270-H272 PolarHBondContact O-N 3.44Å; H270-L273 HydrophobicContact CB-CD1 4.2Å; H270-L273 WeakPolarHBondContact O-CB 3.43Å; H270-L273 PolarHBondContact O-N 3.05Å; H270-F325 HydrophobicContact CB-CD1 4.14Å; H270-F325 HydrophobicContact CB-CE1 3.96Å; H270-F325 WeakPolarHBondContact O-CE1 3.2Å; H270-I329 HydrophobicContact CB-CG2 3.96Å; H270-I329 WeakPolarHBondContact CD2-CD1 3.25Å; H270-I329 WeakPolarHBondContact NE2-CD1 3.29Å; H270-R332 PolarHBondContact CE1-NH1 3.19Å; H270-R332 VanDerWaalsContact CE1-NH1 3.32Å; H270-R332 PolarHBondContact NE2-NH1 3.15Å; H270-R332 VanDerWaalsContact NE2-NH1 3.11Å
271I90Very high83.2Confident26 Ų2665.6 Ų65.613%0.13332%0.324CS..G310 helixtrans-59.1-27.1-174.7-164.361.3000113.3V267 K268 L273 N274 E291 L295V267-I271 PolarHBondContact O-N 2.95Å; V267-I271 VanDerWaalsContact O-N 3.14Å; K268-I271 WeakPolarHBondContact O-CG2 3.3Å; I271-L273 PolarHBondContact O-N 3.42Å; I271-N274 PolarHBondContact O-N 3.45Å; I271-E291 HydrophobicContact CD1-CB 3.84Å; I271-E291 HydrophobicContact CD1-CG 4.42Å; I271-L295 HydrophobicContact CD1-CD1 3.75Å; I271-L295 HydrophobicContact CG1-CD1 3.99Å
272H88.7Confident81.5Confident114 Ų11464.8 Ų64.853%0.52832%0.32SS..G310 helixtrans-63.4-17.8176.664.4-84.9000113.6E269 H270 N274E269-H272 PolarHBondContact O-CE1 3.39Å; E269-H272 VanDerWaalsContact O-CE1 3.22Å; E269-H272 PolarHBondContact O-ND1 2.98Å; H270-H272 PolarHBondContact O-N 3.44Å; H272-N274 VanDerWaalsContact C-N 3.28Å
273L88Confident79.8Confident37 Ų3758.1 Ų58.119%0.19429%0.293CS..G310 helixtrans-85-0.2175.1-55.8177.3000113G176 L177 H270 I271 P326 I329G176-L273 CarbonylContact C-O 3.52Å; G176-L273 WeakPolarHBondContact CA-O 3.39Å; L177-L273 HydrophobicContact CD1-CD2 4.29Å; H270-L273 HydrophobicContact CB-CD1 4.2Å; H270-L273 WeakPolarHBondContact O-CB 3.43Å; H270-L273 PolarHBondContact O-N 3.05Å; I271-L273 PolarHBondContact O-N 3.42Å; L273-P326 HydrophobicContact CB-CG 4.3Å; L273-P326 HydrophobicContact CD1-CG 4.1Å; L273-I329 HydrophobicContact CD1-CG1 4.31Å
274N80.9Confident78.3Confident0 Ų058.8 Ų58.80%030%0.297CS..  trans-120.464.9178.1-89.1-47.4000110.5I271 H272 H276 V277 Q278 T324 F325I271-N274 PolarHBondContact O-N 3.45Å; H272-N274 VanDerWaalsContact C-N 3.28Å; N274-H276 PolarHBondContact O-N 2.67Å; N274-H276 VanDerWaalsContact O-N 3.1Å; N274-V277 HydrophobicContact CB-CB 4.26Å; N274-V277 HydrophobicContact CB-CG2 4.15Å; N274-V277 PolarHBondContact O-N 3.49Å; N274-Q278 PolarHBondContact O-N 2.84Å; N274-T324 PolarHBondContact OD1-O 3.15Å; N274-T324 PolarHBondContact OD1-OG1 2.86Å; N274-F325 WeakPolarHBondContact ND2-CD1 3.25Å; N274-F325 WeakPolarHBondContact ND2-CE1 3.45Å; N274-F325 WeakPolarHBondContact ND2-CG 3.48Å; N274-F325 WeakPolarHBondContact ND2-CZ 3.3Å
275R73.1Confident77Confident151 Ų15165.1 Ų65.157%0.5732%0.317SS*.Hα-helixtrans-52-37.8-179.8-170.7-178.3-74.7178.4-2.7111.8L177 V277 Q278 E279L177-R275 HydrophobicContact CD2-CB 4.28Å; R275-V277 VanDerWaalsContact C-N 3.31Å; R275-V277 PolarHBondContact O-N 3.22Å; R275-Q278 PolarHBondContact O-N 2.85Å; R275-E279 VanDerWaalsContact CD-OE1 3.28Å; R275-E279 WeakPolarHBondContact CD-OE1 3.26Å; R275-E279 HydrophobicContact CG-CG 4.28Å; R275-E279 VanDerWaalsContact CG-OE1 3.24Å; R275-E279 WeakPolarHBondContact CG-OE1 3.43Å; R275-E279 WeakPolarHBondContact O-CG 3.4Å; R275-E279 PolarHBondContact O-N 3.45Å
276H69.9Low75.3Confident31 Ų3167.6 Ų67.614%0.14432%0.315CS..Hα-helixtrans-65-30.1-178.2-57.1-18.1000114.5F174 T179 R208 N274 E280F174-H276 VanDerWaalsContact CB-CD2 3.48Å; F174-H276 WeakPolarHBondContact CB-CD2 3.22Å; F174-H276 AromaticContact CD2-CD2 3.62Å; F174-H276 AromaticContact CG-CD2 3.55Å; T179-H276 VanDerWaalsContact CG2-NE2 3.32Å; T179-H276 WeakPolarHBondContact CG2-NE2 3.18Å; R208-H276 PolarHBondContact NH1-O 2.84Å; N274-H276 PolarHBondContact O-N 2.67Å; N274-H276 VanDerWaalsContact O-N 3.1Å; H276-E280 VanDerWaalsContact O-CB 3.31Å; H276-E280 WeakPolarHBondContact O-CB 3.49Å; H276-E280 PolarHBondContact O-N 3.17Å
277V64.6Low73.8Confident18 Ų1870.5 Ų70.511%0.10934%0.336CS..Hα-helixtrans-79.2-33.5177177.10000110.4N274 R275 E280 E291N274-V277 HydrophobicContact CB-CB 4.26Å; N274-V277 HydrophobicContact CB-CG2 4.15Å; N274-V277 PolarHBondContact O-N 3.49Å; R275-V277 VanDerWaalsContact C-N 3.31Å; R275-V277 PolarHBondContact O-N 3.22Å; V277-E280 PolarHBondContact O-N 2.91Å; V277-E291 HydrophobicContact CB-CG 4.42Å; V277-E291 HydrophobicContact CG1-CG 4.12Å; V277-E291 HydrophobicContact CG2-CG 3.86Å
278Q62.6Low73Confident117 Ų11771.3 Ų71.355%0.54734%0.341SS..Hα-helixtrans-69.8-36.1175.7-64-173.2-25.100112.2N274 R275 E280N274-Q278 PolarHBondContact O-N 2.84Å; R275-Q278 PolarHBondContact O-N 2.85Å; Q278-E280 VanDerWaalsContact C-N 3.29Å
279E63.5Low72.9Confident113 Ų11367.1 Ų67.153%0.52833%0.325SS..SBendtrans-82.7-4.4177.4-67.4171.4173.300113.2R275 V281R275-E279 VanDerWaalsContact CD-OE1 3.28Å; R275-E279 WeakPolarHBondContact CD-OE1 3.26Å; R275-E279 HydrophobicContact CG-CG 4.28Å; R275-E279 VanDerWaalsContact CG-OE1 3.24Å; R275-E279 WeakPolarHBondContact CG-OE1 3.43Å; R275-E279 WeakPolarHBondContact O-CG 3.4Å; R275-E279 PolarHBondContact O-N 3.45Å; E279-V281 PolarHBondContact O-N 3.44Å
280E64.5Low72.7Confident47 Ų4761.9 Ų61.922%0.2230%0.301CS..  trans-77.896.8-170.2-134.6-179.5-17400112.1H276 V277 Q278 G283H276-E280 VanDerWaalsContact O-CB 3.31Å; H276-E280 WeakPolarHBondContact O-CB 3.49Å; H276-E280 PolarHBondContact O-N 3.17Å; V277-E280 PolarHBondContact O-N 2.91Å; Q278-E280 VanDerWaalsContact C-N 3.29Å; E280-G283 WeakPolarHBondContact OE1-CA 3.42Å; E280-G283 WeakPolarHBondContact OE2-CA 3.5Å
281V55.5Low72.5Confident132 Ų13261.1 Ų61.180%0.830%0.297SS*.SBendtrans-71.4-37.2172.5-174.20000111.3E279E279-V281 PolarHBondContact O-N 3.44Å
282N59.3Low72.4Confident99 Ų9960.2 Ų60.253%0.52929%0.294SS..SBendtrans-121.937.8-173.7-67.6-27.8000113.5S432N282-S432 WeakPolarHBondContact CB-O 3.26Å
283G60.6Low72.4Confident6 Ų657.1 Ų57.16%0.06228%0.279CS..  trans-63.8151.4174.200000111.9E280 R285E280-G283 WeakPolarHBondContact OE1-CA 3.42Å; E280-G283 WeakPolarHBondContact OE2-CA 3.5Å; G283-R285 PolarHBondContact O-N 2.87Å
284P63.6Low72.5Confident14 Ų1455.8 Ų55.89%0.09127%0.271CS..  trans-53.6117.1-178-2129.8000111.1Y286 P288 P434P284-Y286 PolarHBondContact O-N 3.46Å; P284-P288 WeakPolarHBondContact O-CB 3.37Å; P284-P434 HydrophobicContact CG-CG 4.27Å
285R67.8Low72.7Confident153 Ų15359.8 Ų59.858%0.57729%0.292SS*.SBendtrans-64.6-30.4170.2-71.3-174-77.9-165.5-8.1110.7G283 E433G283-R285 PolarHBondContact O-N 2.87Å; R285-E433 WeakPolarHBondContact CB-OE2 3.32Å; R285-E433 IonicContact CZ-OE1 3.4Å; R285-E433 PolarHBondContact N-OE2 2.66Å; R285-E433 IonicContact NE-OE1 3.87Å; R285-E433 PolarHBondContact NE-OE1 3.2Å; R285-E433 IonicContact NE-OE2 3.61Å; R285-E433 IonicContact NH2-OE1 2.81Å; R285-E433 PolarHBondContact NH2-OE1 2.87Å
286Y59.3Low73.2Confident108 Ų10857.1 Ų57.142%0.42429%0.285SS..SBendtrans-115.3116.4-171.4-69.1-73000110P284 R436 F438 T439P284-Y286 PolarHBondContact O-N 3.46Å; Y286-R436 PolarHBondContact O-NE 2.99Å; Y286-R436 VanDerWaalsContact O-NE 3.07Å; Y286-R436 PolarHBondContact O-NH2 2.95Å; Y286-F438 AromaticContact CD1-CE2 3.54Å; Y286-F438 HydrophobicContact CD1-CE2 3.54Å; Y286-F438 AromaticContact CD1-CZ 3.78Å; Y286-F438 HydrophobicContact CD1-CZ 3.78Å; Y286-F438 HydrophobicContact CE1-CE2 4.22Å; Y286-F438 HydrophobicContact CG-CE2 4.1Å; Y286-F438 AromaticContact CG-CZ 3.98Å; Y286-F438 HydrophobicContact CG-CZ 3.98Å; Y286-T439 HydrophobicContact CD1-CG2 3.7Å; Y286-T439 HydrophobicContact CD2-CG2 3.34Å; Y286-T439 HydrophobicContact CE1-CG2 3.94Å; Y286-T439 HydrophobicContact CE2-CG2 3.59Å; Y286-T439 HydrophobicContact CG-CG2 3.37Å
287C63.8Low74Confident79 Ų7960.3 Ų60.353%0.53430%0.299SS..SBendtrans54.760.2-161.6-52.10000113.7R436C287-R436 PolarHBondContact SG-NH1 2.8Å
288P77Confident74.7Confident18 Ų1867.6 Ų67.612%0.11733%0.331CS..  trans-61.1160.8167.926.6-32.9000110.9P284 K293P284-P288 WeakPolarHBondContact O-CB 3.37Å; P288-K293 HydrophobicContact CG-CB 3.92Å; P288-K293 HydrophobicContact CG-CG 4.24Å
289S88.4Confident75.9Confident20 Ų2070.7 Ų70.714%0.1434%0.338CS..  trans-58.9159.5163.562.60000111E291 S292 K293 S322S289-E291 VanDerWaalsContact CB-CD 3.45Å; S289-E291 WeakPolarHBondContact CB-OE1 3.19Å; S289-E291 PolarHBondContact O-N 3.14Å; S289-E291 WeakPolarHBondContact OG-CG 3.32Å; S289-E291 PolarHBondContact OG-OE1 3.38Å; S289-S292 PolarHBondContact O-N 3.29Å; S289-S292 VanDerWaalsContact O-N 3.12Å; S289-K293 WeakPolarHBondContact O-CB 3.32Å; S289-K293 PolarHBondContact O-N 2.92Å; S289-S322 CarbonylContact C-O 3.36Å; S289-S322 WeakPolarHBondContact CA-O 3.25Å; S289-S322 WeakPolarHBondContact CB-O 3.42Å
290L91.5Very high76.9Confident0 Ų070.1 Ų70.10%034%0.344CS..Hα-helixtrans-53.8-45.3-178.4177.860.7000110.6T259 V263 V267 K293 I294 I321 S322 M323 I333T259-L290 HydrophobicContact CG2-CD1 4.12Å; V263-L290 HydrophobicContact CG1-CD2 4.1Å; V267-L290 HydrophobicContact CG2-CD2 4.26Å; V267-L290 HydrophobicContact CG2-CG 4.33Å; L290-K293 WeakPolarHBondContact O-CB 3.41Å; L290-K293 PolarHBondContact O-N 3.39Å; L290-I294 HydrophobicContact CD1-CD1 3.84Å; L290-I294 HydrophobicContact CD1-CG1 4.16Å; L290-I294 HydrophobicContact CG-CD1 4.07Å; L290-I294 WeakPolarHBondContact O-CG1 3.05Å; L290-I294 PolarHBondContact O-N 2.78Å; L290-I321 HydrophobicContact CD1-CG2 4.3Å; L290-I321 HydrophobicContact CD2-CB 4.26Å; L290-I321 HydrophobicContact CD2-CG2 4.22Å; L290-S322 PolarHBondContact N-O 3.1Å; L290-M323 HydrophobicContact CB-CB 4.36Å; L290-M323 HydrophobicContact CD2-CE 3.78Å; L290-I333 HydrophobicContact CD2-CG2 3.76Å
291E90.2Very high78.2Confident0 Ų070.6 Ų70.60%035%0.353CS..Hα-helixtrans-61-46.8176.955.7-79.3-178.400113V267 I271 V277 S289 K293 I294 L295 M323 T324 F325V267-E291 HydrophobicContact CG1-CB 3.91Å; I271-E291 HydrophobicContact CD1-CB 3.84Å; I271-E291 HydrophobicContact CD1-CG 4.42Å; V277-E291 HydrophobicContact CB-CG 4.42Å; V277-E291 HydrophobicContact CG1-CG 4.12Å; V277-E291 HydrophobicContact CG2-CG 3.86Å; S289-E291 VanDerWaalsContact CB-CD 3.45Å; S289-E291 WeakPolarHBondContact CB-OE1 3.19Å; S289-E291 PolarHBondContact O-N 3.14Å; S289-E291 WeakPolarHBondContact OG-CG 3.32Å; S289-E291 PolarHBondContact OG-OE1 3.38Å; E291-K293 VanDerWaalsContact C-N 3.31Å; E291-K293 PolarHBondContact O-N 3.11Å; E291-I294 PolarHBondContact O-N 3.26Å; E291-L295 VanDerWaalsContact O-CG 3.31Å; E291-L295 WeakPolarHBondContact O-CG 3.24Å; E291-L295 PolarHBondContact O-N 2.98Å; E291-L295 VanDerWaalsContact O-N 3.14Å; E291-M323 WeakPolarHBondContact OE2-CA 3.38Å; E291-M323 WeakPolarHBondContact OE2-CB 3.39Å; E291-T324 PolarHBondContact OE1-N 3.11Å; E291-T324 PolarHBondContact OE1-OG1 2.86Å; E291-F325 HydrophobicContact CB-CE2 3.76Å; E291-F325 HydrophobicContact CB-CZ 3.68Å; E291-F325 HydrophobicContact CG-CE2 4.23Å; E291-F325 HydrophobicContact CG-CZ 4.3Å; E291-F325 WeakPolarHBondContact OE2-CE2 3.38Å
292S88.2Confident80.1Confident8 Ų864.9 Ų64.96%0.05632%0.317CS..Hα-helixtrans-67.7-34.2176.6-172.40000111.6S289 K296S289-S292 PolarHBondContact O-N 3.29Å; S289-S292 VanDerWaalsContact O-N 3.12Å; S292-K296 VanDerWaalsContact O-CB 3.31Å; S292-K296 WeakPolarHBondContact O-CB 3.07Å; S292-K296 VanDerWaalsContact O-CG 3.29Å; S292-K296 WeakPolarHBondContact O-CG 3.5Å; S292-K296 PolarHBondContact O-N 2.86Å; S292-K296 WeakPolarHBondContact OG-CE 3.24Å; S292-K296 PolarHBondContact OG-NZ 2.69Å
293K88.6Confident81.8Confident49 Ų4966.1 Ų66.121%0.21332%0.32CS..Hα-helixtrans-63.9-46.5176.4-164.2-179-176.3176.60111.9P288 S289 L290 E291 K296 F297 H302P288-K293 HydrophobicContact CG-CB 3.92Å; P288-K293 HydrophobicContact CG-CG 4.24Å; S289-K293 WeakPolarHBondContact O-CB 3.32Å; S289-K293 PolarHBondContact O-N 2.92Å; L290-K293 WeakPolarHBondContact O-CB 3.41Å; L290-K293 PolarHBondContact O-N 3.39Å; E291-K293 VanDerWaalsContact C-N 3.31Å; E291-K293 PolarHBondContact O-N 3.11Å; K293-K296 PolarHBondContact O-N 3.3Å; K293-F297 HydrophobicContact CG-CD2 4.13Å; K293-F297 WeakPolarHBondContact O-CA 2.9Å; K293-F297 WeakPolarHBondContact O-CB 3.44Å; K293-F297 PolarHBondContact O-N 2.92Å; K293-H302 HydrophobicContact CD-CB 4.28Å; K293-H302 WeakPolarHBondContact CE-ND1 3.47Å
294I89.3Confident83.5Confident8 Ų865.8 Ų65.84%0.04132%0.317CS..Hα-helixtrans-68.1-38-179.3-70179.5000111.3V263 A264 V267 L290 E291V263-I294 HydrophobicContact CG1-CD1 4.19Å; A264-I294 HydrophobicContact CB-CD1 4.33Å; A264-I294 HydrophobicContact CB-CG2 4.14Å; V267-I294 HydrophobicContact CB-CD1 3.92Å; V267-I294 HydrophobicContact CG1-CB 4.17Å; V267-I294 HydrophobicContact CG1-CD1 4.01Å; V267-I294 HydrophobicContact CG1-CG2 4.25Å; V267-I294 HydrophobicContact CG2-CD1 3.77Å; L290-I294 HydrophobicContact CD1-CD1 3.84Å; L290-I294 HydrophobicContact CD1-CG1 4.16Å; L290-I294 HydrophobicContact CG-CD1 4.07Å; L290-I294 WeakPolarHBondContact O-CG1 3.05Å; L290-I294 PolarHBondContact O-N 2.78Å; E291-I294 PolarHBondContact O-N 3.26Å
295L85.7Confident85.1Confident84 Ų8468 Ų6844%0.4432%0.324SS..Hα-helixtrans-67.3-45.5176-69.5172.6000112.1I271 E291I271-L295 HydrophobicContact CD1-CD1 3.75Å; I271-L295 HydrophobicContact CG1-CD1 3.99Å; E291-L295 VanDerWaalsContact O-CG 3.31Å; E291-L295 WeakPolarHBondContact O-CG 3.24Å; E291-L295 PolarHBondContact O-N 2.98Å; E291-L295 VanDerWaalsContact O-N 3.14Å
296K84.4Confident86.6Confident96 Ų9661 Ų6142%0.41730%0.297SS..Hα-helixtrans-74.9-36.4-178.1-72.3173.1177.6165.10112.9S292 K293S292-K296 VanDerWaalsContact O-CB 3.31Å; S292-K296 WeakPolarHBondContact O-CB 3.07Å; S292-K296 VanDerWaalsContact O-CG 3.29Å; S292-K296 WeakPolarHBondContact O-CG 3.5Å; S292-K296 PolarHBondContact O-N 2.86Å; S292-K296 WeakPolarHBondContact OG-CE 3.24Å; S292-K296 PolarHBondContact OG-NZ 2.69Å; K293-K296 PolarHBondContact O-N 3.3Å
297F85.2Confident88.4Confident98 Ų9855.9 Ų55.943%0.4328%0.277SS..  trans-128.192.9-171.8-51-67.3000110.4K293 R299 H302K293-F297 HydrophobicContact CG-CD2 4.13Å; K293-F297 WeakPolarHBondContact O-CA 2.9Å; K293-F297 WeakPolarHBondContact O-CB 3.44Å; K293-F297 PolarHBondContact O-N 2.92Å; F297-R299 PolarHBondContact O-N 3.33Å; F297-H302 PolarHBondContact O-CE1 3.13Å
298Q80.7Confident90Very high170 Ų17053.1 Ų53.179%0.79426%0.258SS*.  trans-73.565.6178.5-58.5-177.124.700111.6
299R86.3Confident91Very high183 Ų18352.9 Ų52.969%0.69126%0.256SS*.  trans-96.3149.6174.8-67.1-160.4178.7-159.60.6110.3F297 S301F297-R299 PolarHBondContact O-N 3.33Å; R299-S301 PolarHBondContact O-N 3.1Å
300P84.5Confident91.4Very high101 Ų10152.2 Ų52.266%0.65625%0.251SS*.SBendtrans-64.6-26.5179.425.2-34.6000112.9
301S92.9Very high91.6Very high57 Ų5755.3 Ų55.340%0.39927%0.265SS..  trans-150.4151179.7-174.30000111.7T259 R299T259-S301 VanDerWaalsContact O-CB 3.23Å; T259-S301 WeakPolarHBondContact O-CB 3.42Å; T259-S301 PolarHBondContact O-OG 3.27Å; R299-S301 PolarHBondContact O-N 3.1Å
302H94.2Very high91.9Very high12 Ų1262 Ų626%0.05630%0.301CS..  trans-123.4133.3169.7-63.4-50.2000109.3G258 T259 K293 F297G258-H302 CarbonylContact C-O 3.6Å; G258-H302 WeakPolarHBondContact CA-O 3.28Å; T259-H302 HydrophobicContact CG2-CB 4.25Å; T259-H302 PolarHBondContact N-O 3.19Å; T259-H302 WeakPolarHBondContact OG1-CB 3.36Å; T259-H302 PolarHBondContact OG1-N 3.3Å; K293-H302 HydrophobicContact CD-CB 4.28Å; K293-H302 WeakPolarHBondContact CE-ND1 3.47Å; F297-H302 PolarHBondContact O-CE1 3.13Å
303Q95.8Very high92.2Very high124 Ų12463.6 Ų63.658%0.57931%0.312SS*.EExtended strand (participates in β ladder)trans-62.7140.6177.6-73.6179.3-22.400112L256L256-Q303 HydrophobicContact CD1-CB 3.99Å; L256-Q303 HydrophobicContact CD1-CG 4.13Å
304V96.8Very high92.6Very high0 Ų068.6 Ų68.60%034%0.336CS..EExtended strand (participates in β ladder)trans-131121.3174.6-172.50000108.6T257 T259 I306 P318 N319 I321 I337T257-V304 HydrophobicContact CG2-CB 3.89Å; T257-V304 HydrophobicContact CG2-CG1 4.35Å; T257-V304 PolarHBondContact N-O 3.06Å; T257-V304 PolarHBondContact O-N 3.09Å; T259-V304 HydrophobicContact CG2-CG2 3.95Å; V304-I306 HydrophobicContact CG1-CD1 4.23Å; V304-P318 HydrophobicContact CG1-CB 4.1Å; V304-N319 CarbonylContact C-O 3.28Å; V304-N319 VanDerWaalsContact CA-O 3.29Å; V304-N319 WeakPolarHBondContact CA-O 3.42Å; V304-I321 HydrophobicContact CB-CG2 4.45Å; V304-I321 HydrophobicContact CG1-CD1 4.45Å; V304-I321 HydrophobicContact CG1-CG1 4.23Å; V304-I321 HydrophobicContact CG1-CG2 4.09Å; V304-I321 HydrophobicContact CG2-CG2 3.51Å; V304-I337 HydrophobicContact CG2-CD1 4.48Å
305W97.4Very high93Very high61 Ų6169.8 Ų69.823%0.23134%0.343CS..EExtended strand (participates in β ladder)trans-95.6125.7176.1-73.289.9000109.6F228 C254 Y255 L256 E307 Y317 P318 N319F228-W305 HydrophobicContact CB-CH2 4.29Å; F228-W305 HydrophobicContact CB-CZ3 3.82Å; F228-W305 AromaticContact CD1-CH2 3.86Å; F228-W305 HydrophobicContact CD1-CH2 3.86Å; F228-W305 HydrophobicContact CD1-CZ3 4.26Å; F228-W305 HydrophobicContact CD2-CE3 4.38Å; F228-W305 AromaticContact CD2-CH2 3.39Å; F228-W305 HydrophobicContact CD2-CH2 3.39Å; F228-W305 AromaticContact CD2-CZ3 3.28Å; F228-W305 HydrophobicContact CD2-CZ3 3.28Å; F228-W305 AromaticContact CE1-CH2 3.95Å; F228-W305 HydrophobicContact CE1-CH2 3.95Å; F228-W305 AromaticContact CE2-CH2 3.45Å; F228-W305 HydrophobicContact CE2-CH2 3.45Å; F228-W305 VanDerWaalsContact CE2-CH2 3.45Å; F228-W305 HydrophobicContact CE2-CZ2 4.28Å; F228-W305 AromaticContact CE2-CZ3 3.8Å; F228-W305 HydrophobicContact CE2-CZ3 3.8Å; F228-W305 AromaticContact CG-CH2 3.58Å; F228-W305 HydrophobicContact CG-CH2 3.58Å; F228-W305 AromaticContact CG-CZ3 3.53Å; F228-W305 HydrophobicContact CG-CZ3 3.53Å; F228-W305 AromaticContact CZ-CH2 3.75Å; F228-W305 HydrophobicContact CZ-CH2 3.75Å; F228-W305 HydrophobicContact CZ-CZ2 4.45Å; F228-W305 HydrophobicContact CZ-CZ3 4.49Å; C254-W305 HydrophobicContact CB-CE3 4.04Å; C254-W305 HydrophobicContact CB-CZ3 4.21Å; Y255-W305 CarbonylContact O-C 3.4Å; Y255-W305 WeakPolarHBondContact O-CA 3.31Å; L256-W305 HydrophobicContact CD1-CD2 3.97Å; L256-W305 HydrophobicContact CD1-CG 4.18Å; L256-W305 HydrophobicContact CD1-CZ2 4.2Å; W305-E307 HydrophobicContact CB-CG 3.89Å; W305-E307 WeakPolarHBondContact CB-OE1 3.16Å; W305-Y317 VanDerWaalsContact O-O 3.07Å; W305-P318 CarbonylContact O-C 3.57Å; W305-P318 VanDerWaalsContact O-CA 3.31Å; W305-P318 WeakPolarHBondContact O-CA 3.49Å; W305-N319 HydrophobicContact CB-CB 4.1Å; W305-N319 PolarHBondContact N-O 3.36Å; W305-N319 PolarHBondContact O-N 3.36Å
306I98Very high93.5Very high4 Ų466.5 Ų66.52%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-91.8106.7171.2-49.7-54.5000107.1V220 Y255 T257 V304 V316 P318 L340V220-I306 HydrophobicContact CG1-CG2 4.28Å; Y255-I306 PolarHBondContact N-O 3.3Å; Y255-I306 VanDerWaalsContact N-O 3.07Å; Y255-I306 PolarHBondContact O-N 3.28Å; T257-I306 HydrophobicContact CG2-CD1 4.27Å; T257-I306 HydrophobicContact CG2-CG1 4.34Å; V304-I306 HydrophobicContact CG1-CD1 4.23Å; I306-V316 HydrophobicContact CG2-CB 3.86Å; I306-V316 HydrophobicContact CG2-CG1 4.19Å; I306-V316 HydrophobicContact CG2-CG2 3.8Å; I306-P318 HydrophobicContact CD1-CB 4.01Å; I306-L340 HydrophobicContact CD1-CD1 4.13Å; I306-L340 HydrophobicContact CD1-CD2 4.02Å
307E98Very high94.2Very high1 Ų162.1 Ų62.11%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-112125-172.3-54.1-176.4-170.300109.5N54 P55 R102 Q104 W305 V316 Y317 N319N54-E307 PolarHBondContact ND2-OE2 2.98Å; N54-E307 PolarHBondContact OD1-OE2 3.06Å; N54-E307 VanDerWaalsContact OD1-OE2 3.12Å; P55-E307 HydrophobicContact CG-CB 4.28Å; R102-E307 IonicContact NH2-OE1 3.99Å; R102-E307 PolarHBondContact NH2-OE1 3.19Å; R102-E307 IonicContact NH2-OE2 3.74Å; R102-E307 PolarHBondContact NH2-OE2 2.83Å; R102-E307 VanDerWaalsContact NH2-OE2 3.1Å; Q104-E307 VanDerWaalsContact NE2-CG 3.32Å; Q104-E307 PolarHBondContact NE2-OE2 3.49Å; Q104-E307 PolarHBondContact OE1-OE2 2.91Å; W305-E307 HydrophobicContact CB-CG 3.89Å; W305-E307 WeakPolarHBondContact CB-OE1 3.16Å; E307-V316 CarbonylContact O-C 3.54Å; E307-V316 WeakPolarHBondContact O-CA 3.35Å; E307-Y317 PolarHBondContact N-O 2.74Å; E307-Y317 PolarHBondContact O-N 2.77Å; E307-N319 HydrophobicContact CG-CB 4.34Å; E307-N319 WeakPolarHBondContact OE1-CB 3.36Å; E307-N319 PolarHBondContact OE1-ND2 3.07Å
308P97.4Very high94.7Very high21 Ų2157.5 Ų57.514%0.13629%0.286CS..EExtended strand (participates in β ladder)trans-67.9144.9176.328.4-33.1000110.9L252L252-P308 HydrophobicContact CB-CG 3.83Å; L252-P308 HydrophobicContact CD1-CB 4.04Å; L252-P308 HydrophobicContact CD1-CG 4.06Å
309E97.3Very high95.5Very high14 Ų1451.8 Ų51.87%0.06526%0.261CS..  trans-91.2-3.9177.6-59.4-151.6151.700114.4P55 R107 R214 L315P55-E309 HydrophobicContact CB-CG 4.42Å; P55-E309 HydrophobicContact CG-CG 4.32Å; R107-E309 IonicContact CZ-OE1 2.78Å; R107-E309 IonicContact CZ-OE2 3.32Å; R107-E309 PolarHBondContact N-O 2.97Å; R107-E309 VanDerWaalsContact N-O 3.08Å; R107-E309 IonicContact NE-OE1 3.53Å; R107-E309 PolarHBondContact NE-OE1 3.44Å; R107-E309 IonicContact NE-OE2 2.94Å; R107-E309 PolarHBondContact NE-OE2 3.31Å; R107-E309 IonicContact NH2-OE1 3.79Å; R107-E309 PolarHBondContact NH2-OE1 2.9Å; R107-E309 IonicContact NH2-OE2 3.85Å; R214-E309 WeakPolarHBondContact CD-OE1 3.34Å; R214-E309 IonicContact CZ-OE1 3.88Å; R214-E309 IonicContact NE-OE1 3.84Å; R214-E309 PolarHBondContact NE-OE1 3.43Å; E309-L315 HydrophobicContact CG-CB 4.28Å; E309-L315 PolarHBondContact N-O 2.97Å
310G96.9Very high95.8Very high5 Ų544 Ų445%0.05224%0.239CC..  trans162.3172.8179.500000112.3D106D106-G310 VanDerWaalsContact CG-CA 3.49Å; D106-G310 WeakPolarHBondContact OD2-CA 3.42Å
311F96.5Very high96.3Very high66 Ų6639.2 Ų39.229%0.28921%0.207SC..THydrogen-bonded Turntrans-67.8-43.9-179.6-67.6-82.1000112.3C85 D106 L109 W245 L246 L252 S313C85-F311 HydrophobicContact CB-CD2 4.35Å; C85-F311 HydrophobicContact CB-CE1 4.23Å; C85-F311 HydrophobicContact CB-CE2 3.54Å; C85-F311 HydrophobicContact CB-CZ 3.47Å; C85-F311 VanDerWaalsContact CB-CZ 3.47Å; D106-F311 HydrophobicContact CB-CD2 4.29Å; D106-F311 PolarHBondContact OD2-N 2.95Å; L109-F311 HydrophobicContact CD1-CD2 4.28Å; L109-F311 HydrophobicContact CD1-CE2 4.42Å; W245-F311 HydrophobicContact CH2-CE2 4.18Å; W245-F311 AromaticContact CZ2-CE2 3.86Å; W245-F311 HydrophobicContact CZ2-CE2 3.86Å; W245-F311 HydrophobicContact CZ2-CZ 4.46Å; L246-F311 HydrophobicContact CD1-CE1 4.26Å; L246-F311 HydrophobicContact CD1-CE2 4.49Å; L246-F311 HydrophobicContact CD1-CZ 3.73Å; L246-F311 HydrophobicContact CD2-CE1 4.29Å; L246-F311 HydrophobicContact CD2-CZ 3.65Å; L246-F311 HydrophobicContact CG-CZ 4.34Å; L252-F311 HydrophobicContact CD1-CD1 3.86Å; L252-F311 HydrophobicContact CD1-CE1 4.07Å; L252-F311 HydrophobicContact CD1-CG 4.2Å; L252-F311 HydrophobicContact CD2-CD1 3.83Å; L252-F311 HydrophobicContact CD2-CE1 4Å; L252-F311 HydrophobicContact CG-CD1 3.83Å; L252-F311 HydrophobicContact CG-CE1 3.69Å; L252-F311 HydrophobicContact CG-CZ 4.4Å; F311-S313 VanDerWaalsContact C-N 3.35Å
312D95.3Very high96.3Very high139 Ų13937.5 Ų37.574%0.74320%0.195SC*.THydrogen-bonded Turntrans-98.817.9-179.5-55-31.4000111.9
313S95.3Very high96.3Very high42 Ų4237 Ų3729%0.29419%0.193SC..  trans-90.7126.9-177.3-175.80000111.1F311 L315F311-S313 VanDerWaalsContact C-N 3.35Å; S313-L315 PolarHBondContact O-N 2.71Å; S313-L315 PolarHBondContact OG-N 2.88Å; S313-L315 VanDerWaalsContact OG-N 3.1Å; S313-L315 PolarHBondContact OG-O 3.13Å
314E96.6Very high96.1Very high155 Ų15531.2 Ų31.272%0.72417%0.166SC*.SBendtrans-785.4169.5-59-175165.200112.7V216 A217V216-E314 CarbonylContact C-O 3.57Å; V216-E314 WeakPolarHBondContact CA-O 3.3Å; A217-E314 WeakPolarHBondContact CB-O 3.15Å; A217-E314 PolarHBondContact N-O 2.84Å
315L97.4Very high96Very high33 Ų3331.2 Ų31.217%0.17317%0.166CC..EExtended strand (participates in β ladder)trans-114.2141.7-174.6-55-176.6000112.3L215 E309 S313 A346L215-L315 WeakPolarHBondContact O-CA 3.34Å; E309-L315 HydrophobicContact CG-CB 4.28Å; E309-L315 PolarHBondContact N-O 2.97Å; S313-L315 PolarHBondContact O-N 2.71Å; S313-L315 PolarHBondContact OG-N 2.88Å; S313-L315 VanDerWaalsContact OG-N 3.1Å; S313-L315 PolarHBondContact OG-O 3.13Å; L315-A346 HydrophobicContact CD2-CB 3.33Å
316V97.4Very high95.9Very high15 Ų1529.8 Ų29.89%0.09117%0.165CC..EExtended strand (participates in β ladder)trans-119.1147.2165.7-60.70000111.1L215 A217 V220 I306 E307 P318L215-V316 HydrophobicContact CB-CG2 3.78Å; L215-V316 PolarHBondContact N-O 2.76Å; L215-V316 VanDerWaalsContact N-O 3.1Å; L215-V316 PolarHBondContact O-N 3.02Å; A217-V316 HydrophobicContact CB-CG1 3.84Å; V220-V316 HydrophobicContact CG2-CG2 3.94Å; I306-V316 HydrophobicContact CG2-CB 3.86Å; I306-V316 HydrophobicContact CG2-CG1 4.19Å; I306-V316 HydrophobicContact CG2-CG2 3.8Å; E307-V316 CarbonylContact O-C 3.54Å; E307-V316 WeakPolarHBondContact O-CA 3.35Å; V316-P318 WeakPolarHBondContact O-CD 3.47Å
317Y97.9Very high95.8Very high4 Ų432.3 Ų32.32%0.01618%0.18CC..EExtended strand (participates in β ladder)trans-100.5111.5177.3-174.1-76.5000109.4C53 N54 P55 P212 R214 W305 E307 N319C53-Y317 VanDerWaalsContact O-CE2 3.24Å; C53-Y317 WeakPolarHBondContact O-CE2 3.28Å; C53-Y317 PolarHBondContact SG-OH 2.76Å; N54-Y317 HydrophobicContact CB-CE1 4.36Å; N54-Y317 WeakPolarHBondContact OD1-CD1 3.38Å; N54-Y317 WeakPolarHBondContact OD1-CE1 3.34Å; P55-Y317 HydrophobicContact CG-CG 4.39Å; P212-Y317 WeakPolarHBondContact CD-OH 3.36Å; P212-Y317 HydrophobicContact CG-CD1 4.07Å; P212-Y317 HydrophobicContact CG-CD2 4.19Å; P212-Y317 HydrophobicContact CG-CE1 3.5Å; P212-Y317 VanDerWaalsContact CG-CE1 3.5Å; P212-Y317 HydrophobicContact CG-CE2 3.63Å; P212-Y317 HydrophobicContact CG-CG 4.37Å; P212-Y317 WeakPolarHBondContact CG-OH 3.49Å; R214-Y317 VanDerWaalsContact NH1-CD2 3.33Å; W305-Y317 VanDerWaalsContact O-O 3.07Å; E307-Y317 PolarHBondContact N-O 2.74Å; E307-Y317 PolarHBondContact O-N 2.77Å; Y317-N319 HydrophobicContact CD1-CB 3.63Å; Y317-N319 VanDerWaalsContact CE1-CA 3.49Å; Y317-N319 HydrophobicContact CE1-CB 3.53Å; Y317-N319 PolarHBondContact O-N 3.04Å; Y317-N319 VanDerWaalsContact O-N 3.13Å
318P97.2Very high95.8Very high0 Ų036.8 Ų36.80%020%0.204CC..EExtended strand (participates in β ladder)trans-84.283.417635-33.6000110P212 P213 L215 V304 W305 I306 V316 G320 I321P212-P318 HydrophobicContact CB-CG 4.11Å; P213-P318 WeakPolarHBondContact O-CD 3.4Å; P213-P318 WeakPolarHBondContact O-CG 3.41Å; L215-P318 HydrophobicContact CD1-CB 4.01Å; L215-P318 HydrophobicContact CD1-CG 3.91Å; L215-P318 HydrophobicContact CG-CG 3.96Å; V304-P318 HydrophobicContact CG1-CB 4.1Å; W305-P318 CarbonylContact O-C 3.57Å; W305-P318 VanDerWaalsContact O-CA 3.31Å; W305-P318 WeakPolarHBondContact O-CA 3.49Å; I306-P318 HydrophobicContact CD1-CB 4.01Å; V316-P318 WeakPolarHBondContact O-CD 3.47Å; P318-G320 PolarHBondContact O-N 2.92Å; P318-I321 HydrophobicContact CB-CD1 3.71Å; P318-I321 HydrophobicContact CB-CG1 3.84Å; P318-I321 HydrophobicContact CG-CD1 3.82Å; P318-I321 HydrophobicContact CG-CG1 3.96Å; P318-I321 WeakPolarHBondContact O-CG1 3.44Å
319N95.6Very high95.7Very high50 Ų5035.9 Ų35.927%0.26720%0.198SC..EExtended strand (participates in β ladder)trans-67.3130.8-179.217925000111.4V304 W305 E307 Y317V304-N319 CarbonylContact C-O 3.28Å; V304-N319 VanDerWaalsContact CA-O 3.29Å; V304-N319 WeakPolarHBondContact CA-O 3.42Å; W305-N319 HydrophobicContact CB-CB 4.1Å; W305-N319 PolarHBondContact N-O 3.36Å; W305-N319 PolarHBondContact O-N 3.36Å; E307-N319 HydrophobicContact CG-CB 4.34Å; E307-N319 WeakPolarHBondContact OE1-CB 3.36Å; E307-N319 PolarHBondContact OE1-ND2 3.07Å; Y317-N319 HydrophobicContact CD1-CB 3.63Å; Y317-N319 VanDerWaalsContact CE1-CA 3.49Å; Y317-N319 HydrophobicContact CE1-CB 3.53Å; Y317-N319 PolarHBondContact O-N 3.04Å; Y317-N319 VanDerWaalsContact O-N 3.13Å
320G93.5Very high95.7Very high21 Ų2135.2 Ų35.222%0.21620%0.195CC..THydrogen-bonded Turntrans110.5-8.7-177.600000114.8P318P318-G320 PolarHBondContact O-N 2.92Å
321I94.9Very high95.8Very high0 Ų037.9 Ų37.90%021%0.206CC..  trans-123.138.4178.661.6164.6000113.3P212 T259 L290 V304 P318 M323 V334 I337P212-I321 HydrophobicContact CB-CG1 4.27Å; T259-I321 HydrophobicContact CG2-CG2 4.19Å; L290-I321 HydrophobicContact CD1-CG2 4.3Å; L290-I321 HydrophobicContact CD2-CB 4.26Å; L290-I321 HydrophobicContact CD2-CG2 4.22Å; V304-I321 HydrophobicContact CB-CG2 4.45Å; V304-I321 HydrophobicContact CG1-CD1 4.45Å; V304-I321 HydrophobicContact CG1-CG1 4.23Å; V304-I321 HydrophobicContact CG1-CG2 4.09Å; V304-I321 HydrophobicContact CG2-CG2 3.51Å; P318-I321 HydrophobicContact CB-CD1 3.71Å; P318-I321 HydrophobicContact CB-CG1 3.84Å; P318-I321 HydrophobicContact CG-CD1 3.82Å; P318-I321 HydrophobicContact CG-CG1 3.96Å; P318-I321 WeakPolarHBondContact O-CG1 3.44Å; I321-M323 HydrophobicContact CB-CE 3.78Å; I321-M323 HydrophobicContact CD1-CE 3.98Å; I321-M323 HydrophobicContact CG1-CE 4.17Å; I321-M323 WeakPolarHBondContact O-CE 3.45Å; I321-M323 PolarHBondContact O-N 3.08Å; I321-V334 HydrophobicContact CD1-CG2 4.15Å; I321-I337 HydrophobicContact CD1-CD1 4.02Å; I321-I337 HydrophobicContact CG2-CD1 4.15Å
322S93.7Very high95.8Very high21 Ų2139.9 Ų39.915%0.14721%0.212CC..  trans-53.3129.5166.7-650000109.4G210 P212 S289 L290G210-S322 PolarHBondContact O-OG 3.41Å; P212-S322 WeakPolarHBondContact CD-OG 3.34Å; S289-S322 CarbonylContact C-O 3.36Å; S289-S322 WeakPolarHBondContact CA-O 3.25Å; S289-S322 WeakPolarHBondContact CB-O 3.42Å; L290-S322 PolarHBondContact N-O 3.1Å
323M93.4Very high95.9Very high0 Ų033.2 Ų33.20%018%0.176CC..  trans-154.1156.6-175.865.3-17679.700110.6P213 L290 E291 I321 F325 Q330 I333 G349 Y350P213-M323 HydrophobicContact CG-CE 4.43Å; L290-M323 HydrophobicContact CB-CB 4.36Å; L290-M323 HydrophobicContact CD2-CE 3.78Å; E291-M323 WeakPolarHBondContact OE2-CA 3.38Å; E291-M323 WeakPolarHBondContact OE2-CB 3.39Å; I321-M323 HydrophobicContact CB-CE 3.78Å; I321-M323 HydrophobicContact CD1-CE 3.98Å; I321-M323 HydrophobicContact CG1-CE 4.17Å; I321-M323 WeakPolarHBondContact O-CE 3.45Å; I321-M323 PolarHBondContact O-N 3.08Å; M323-F325 HydrophobicContact CB-CD2 4.15Å; M323-F325 HydrophobicContact SD-CD2 4.49Å; M323-Q330 HydrophobicContact CG-CG 3.96Å; M323-Q330 HydrophobicContact SD-CB 3.87Å; M323-Q330 HydrophobicContact SD-CG 3.63Å; M323-I333 HydrophobicContact CE-CG2 3.92Å; M323-I333 HydrophobicContact SD-CD1 4.34Å; M323-I333 HydrophobicContact SD-CG2 4.32Å; M323-G349 CarbonylContact O-C 3.58Å; M323-G349 VanDerWaalsContact O-C 3.28Å; M323-Y350 PolarHBondContact O-N 3.13Å
324T92.7Very high96.1Very high4 Ų431.2 Ų31.23%0.02516%0.162CC..  trans-122.918.7-178.564.30000113.5F174 G176 N274 E291F174-T324 HydrophobicContact CD2-CG2 3.87Å; F174-T324 HydrophobicContact CE2-CG2 3.64Å; G176-T324 VanDerWaalsContact CA-O 3.28Å; G176-T324 WeakPolarHBondContact CA-O 3.36Å; G176-T324 PolarHBondContact N-O 3.41Å; N274-T324 PolarHBondContact OD1-O 3.15Å; N274-T324 PolarHBondContact OD1-OG1 2.86Å; E291-T324 PolarHBondContact OE1-N 3.11Å; E291-T324 PolarHBondContact OE1-OG1 2.86Å
325F94.5Very high96.1Very high0 Ų029.1 Ų29.10%015%0.148CC..SBendtrans-64.9162.1175.7-68.9-75.9000113.1L175 V267 H270 N274 E291 M323 I329 Q330 I333L175-F325 WeakPolarHBondContact CD1-O 3.21Å; V267-F325 HydrophobicContact CB-CZ 4.35Å; V267-F325 HydrophobicContact CG1-CE2 4.43Å; V267-F325 HydrophobicContact CG1-CZ 4.07Å; V267-F325 HydrophobicContact CG2-CE2 4.02Å; V267-F325 HydrophobicContact CG2-CZ 4.27Å; H270-F325 HydrophobicContact CB-CD1 4.14Å; H270-F325 HydrophobicContact CB-CE1 3.96Å; H270-F325 WeakPolarHBondContact O-CE1 3.2Å; N274-F325 WeakPolarHBondContact ND2-CD1 3.25Å; N274-F325 WeakPolarHBondContact ND2-CE1 3.45Å; N274-F325 WeakPolarHBondContact ND2-CG 3.48Å; N274-F325 WeakPolarHBondContact ND2-CZ 3.3Å; E291-F325 HydrophobicContact CB-CE2 3.76Å; E291-F325 HydrophobicContact CB-CZ 3.68Å; E291-F325 HydrophobicContact CG-CE2 4.23Å; E291-F325 HydrophobicContact CG-CZ 4.3Å; E291-F325 WeakPolarHBondContact OE2-CE2 3.38Å; M323-F325 HydrophobicContact CB-CD2 4.15Å; M323-F325 HydrophobicContact SD-CD2 4.49Å; F325-I329 HydrophobicContact CB-CB 4Å; F325-I329 HydrophobicContact CB-CG2 3.92Å; F325-I329 HydrophobicContact CD1-CG2 4Å; F325-I329 HydrophobicContact CG-CG2 3.94Å; F325-Q330 HydrophobicContact CB-CG 4.05Å; F325-Q330 PolarHBondContact O-NE2 3.12Å; F325-I333 HydrophobicContact CD2-CD1 3.66Å; F325-I333 HydrophobicContact CE2-CD1 3.84Å; F325-I333 HydrophobicContact CG-CD1 4.32Å
326P95.1Very high96.1Very high30 Ų3029.2 Ų29.220%0.19515%0.151CC..  trans-53.9152.6164.4-26.436.8000112.8L273 D328 I329 Q330L273-P326 HydrophobicContact CB-CG 4.3Å; L273-P326 HydrophobicContact CD1-CG 4.1Å; P326-D328 VanDerWaalsContact CB-OD1 3.3Å; P326-D328 WeakPolarHBondContact CB-OD1 3.08Å; P326-D328 PolarHBondContact O-N 3.35Å; P326-I329 HydrophobicContact CB-CG1 4.42Å; P326-I329 PolarHBondContact O-N 2.78Å; P326-I329 VanDerWaalsContact O-N 3.08Å; P326-Q330 WeakPolarHBondContact O-CG 3.45Å; P326-Q330 PolarHBondContact O-N 2.98Å
327V96.2Very high96.1Very high57 Ų5728.5 Ų28.535%0.34515%0.146SC..Hα-helixtrans-56.9-45.2-169.8-175.10000112.7L175 I329 Q330 E331 P348L175-V327 HydrophobicContact CD2-CG2 3.92Å; V327-I329 VanDerWaalsContact C-N 3.28Å; V327-I329 PolarHBondContact O-N 3.18Å; V327-Q330 WeakPolarHBondContact O-CB 3.29Å; V327-Q330 PolarHBondContact O-N 3.25Å; V327-Q330 VanDerWaalsContact O-N 3.14Å; V327-E331 PolarHBondContact O-N 3.14Å; V327-P348 HydrophobicContact CG2-CB 3.98Å; V327-P348 HydrophobicContact CG2-CG 4.39Å
328D96.3Very high96.1Very high95 Ų9535.1 Ų35.151%0.50817%0.172SC..Hα-helixtrans-60.1-37.8179.264.2-53.2000112.3P326 E331 R332P326-D328 VanDerWaalsContact CB-OD1 3.3Å; P326-D328 WeakPolarHBondContact CB-OD1 3.08Å; P326-D328 PolarHBondContact O-N 3.35Å; D328-E331 PolarHBondContact O-N 3.02Å; D328-R332 WeakPolarHBondContact O-CG 3.34Å; D328-R332 PolarHBondContact O-N 3.05Å; D328-R332 VanDerWaalsContact O-N 3.14Å
329I96.8Very high96.1Very high3 Ų335.3 Ų35.32%0.01517%0.174CC..Hα-helixtrans-72.4-39.2176.1-54.9-50000110.9H270 L273 F325 P326 V327 E331 R332 I333H270-I329 HydrophobicContact CB-CG2 3.96Å; H270-I329 WeakPolarHBondContact CD2-CD1 3.25Å; H270-I329 WeakPolarHBondContact NE2-CD1 3.29Å; L273-I329 HydrophobicContact CD1-CG1 4.31Å; F325-I329 HydrophobicContact CB-CB 4Å; F325-I329 HydrophobicContact CB-CG2 3.92Å; F325-I329 HydrophobicContact CD1-CG2 4Å; F325-I329 HydrophobicContact CG-CG2 3.94Å; P326-I329 HydrophobicContact CB-CG1 4.42Å; P326-I329 PolarHBondContact O-N 2.78Å; P326-I329 VanDerWaalsContact O-N 3.08Å; V327-I329 VanDerWaalsContact C-N 3.28Å; V327-I329 PolarHBondContact O-N 3.18Å; I329-E331 VanDerWaalsContact C-N 3.32Å; I329-E331 PolarHBondContact O-N 3.45Å; I329-R332 PolarHBondContact O-N 3Å; I329-I333 HydrophobicContact CG2-CD1 3.93Å; I329-I333 HydrophobicContact CG2-CG1 4.45Å; I329-I333 WeakPolarHBondContact O-CG1 3.46Å; I329-I333 PolarHBondContact O-N 3.48Å
330Q97.6Very high96.2Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-60.3-43.3173.8-60-168.526.600111.5M323 F325 P326 V327 R332 I333 V334 L345 G349M323-Q330 HydrophobicContact CG-CG 3.96Å; M323-Q330 HydrophobicContact SD-CB 3.87Å; M323-Q330 HydrophobicContact SD-CG 3.63Å; F325-Q330 HydrophobicContact CB-CG 4.05Å; F325-Q330 PolarHBondContact O-NE2 3.12Å; P326-Q330 WeakPolarHBondContact O-CG 3.45Å; P326-Q330 PolarHBondContact O-N 2.98Å; V327-Q330 WeakPolarHBondContact O-CB 3.29Å; V327-Q330 PolarHBondContact O-N 3.25Å; V327-Q330 VanDerWaalsContact O-N 3.14Å; Q330-R332 PolarHBondContact O-N 3.5Å; Q330-I333 PolarHBondContact O-N 3.36Å; Q330-V334 WeakPolarHBondContact O-CB 3.32Å; Q330-V334 VanDerWaalsContact O-CG2 3.31Å; Q330-V334 WeakPolarHBondContact O-CG2 3.46Å; Q330-V334 PolarHBondContact O-N 3.39Å; Q330-L345 HydrophobicContact CB-CD2 3.78Å; Q330-G349 PolarHBondContact NE2-O 3.27Å
331E97.6Very high96.4Very high61 Ų6136.1 Ų36.129%0.28517%0.17SC..Hα-helixtrans-58.7-47.1175.5-68.7-164.1-176.300111.6V327 D328 I329 I333 V334 R335 L345V327-E331 PolarHBondContact O-N 3.14Å; D328-E331 PolarHBondContact O-N 3.02Å; I329-E331 VanDerWaalsContact C-N 3.32Å; I329-E331 PolarHBondContact O-N 3.45Å; E331-I333 VanDerWaalsContact C-N 3.34Å; E331-I333 PolarHBondContact O-N 2.87Å; E331-V334 PolarHBondContact O-N 3.13Å; E331-R335 WeakPolarHBondContact O-CB 3.48Å; E331-R335 WeakPolarHBondContact O-CG 3.47Å; E331-R335 PolarHBondContact O-N 3.39Å; E331-R335 IonicContact OE2-CZ 3.73Å; E331-R335 IonicContact OE2-NH2 3.07Å; E331-R335 PolarHBondContact OE2-NH2 3.03Å; E331-L345 HydrophobicContact CG-CD1 4.05Å; E331-L345 HydrophobicContact CG-CD2 3.97Å; E331-L345 HydrophobicContact CG-CG 4.41Å
332R97.7Very high96.6Very high107 Ų10742.3 Ų42.340%0.40420%0.203SC..Hα-helixtrans-59.6-43.6177.3-7217166.5-166-0.9111.8L266 H270 D328 I329 Q330 C336L266-R332 HydrophobicContact CD1-CB 4.26Å; L266-R332 VanDerWaalsContact CD2-NH2 3.3Å; H270-R332 PolarHBondContact CE1-NH1 3.19Å; H270-R332 VanDerWaalsContact CE1-NH1 3.32Å; H270-R332 PolarHBondContact NE2-NH1 3.15Å; H270-R332 VanDerWaalsContact NE2-NH1 3.11Å; D328-R332 WeakPolarHBondContact O-CG 3.34Å; D328-R332 PolarHBondContact O-N 3.05Å; D328-R332 VanDerWaalsContact O-N 3.14Å; I329-R332 PolarHBondContact O-N 3Å; Q330-R332 PolarHBondContact O-N 3.5Å; R332-C336 PolarHBondContact O-N 3.4Å; R332-C336 PolarHBondContact O-SG 2.98Å
333I97.4Very high96.8Very high0 Ų041.3 Ų41.30%020%0.196CC..Hα-helixtrans-63.4-50.3178-73.3168.4000110.7V263 L266 V267 L290 M323 F325 I329 Q330 E331 R335 C336V263-I333 HydrophobicContact CG1-CG2 4.02Å; L266-I333 HydrophobicContact CB-CG1 4.13Å; L266-I333 HydrophobicContact CD1-CG1 4.37Å; V267-I333 HydrophobicContact CG2-CD1 3.83Å; V267-I333 HydrophobicContact CG2-CG1 4.44Å; L290-I333 HydrophobicContact CD2-CG2 3.76Å; M323-I333 HydrophobicContact CE-CG2 3.92Å; M323-I333 HydrophobicContact SD-CD1 4.34Å; M323-I333 HydrophobicContact SD-CG2 4.32Å; F325-I333 HydrophobicContact CD2-CD1 3.66Å; F325-I333 HydrophobicContact CE2-CD1 3.84Å; F325-I333 HydrophobicContact CG-CD1 4.32Å; I329-I333 HydrophobicContact CG2-CD1 3.93Å; I329-I333 HydrophobicContact CG2-CG1 4.45Å; I329-I333 WeakPolarHBondContact O-CG1 3.46Å; I329-I333 PolarHBondContact O-N 3.48Å; Q330-I333 PolarHBondContact O-N 3.36Å; E331-I333 VanDerWaalsContact C-N 3.34Å; E331-I333 PolarHBondContact O-N 2.87Å; I333-R335 VanDerWaalsContact C-N 3.35Å; I333-R335 PolarHBondContact O-N 3.03Å; I333-C336 WeakPolarHBondContact O-CB 3.5Å; I333-C336 PolarHBondContact O-N 2.86Å; I333-C336 VanDerWaalsContact O-N 3.14Å
334V98Very high97Very high0 Ų047.5 Ų47.50%022%0.223CC..Hα-helixtrans-59.9-46-178.3167.40000110.5P213 L215 I321 Q330 E331 C336 I337 L340 A343 L345P213-V334 HydrophobicContact CG-CG2 3.96Å; L215-V334 HydrophobicContact CD1-CG1 4.13Å; L215-V334 HydrophobicContact CD2-CG1 3.83Å; L215-V334 HydrophobicContact CD2-CG2 4.34Å; I321-V334 HydrophobicContact CD1-CG2 4.15Å; Q330-V334 WeakPolarHBondContact O-CB 3.32Å; Q330-V334 VanDerWaalsContact O-CG2 3.31Å; Q330-V334 WeakPolarHBondContact O-CG2 3.46Å; Q330-V334 PolarHBondContact O-N 3.39Å; E331-V334 PolarHBondContact O-N 3.13Å; V334-C336 PolarHBondContact O-N 3.49Å; V334-C336 VanDerWaalsContact O-N 3.13Å; V334-I337 WeakPolarHBondContact O-CB 3.48Å; V334-I337 PolarHBondContact O-N 3.28Å; V334-L340 HydrophobicContact CG1-CB 4.01Å; V334-L340 HydrophobicContact CG1-CD1 4.11Å; V334-L340 VanDerWaalsContact O-CB 3.32Å; V334-L340 WeakPolarHBondContact O-CB 3.42Å; V334-A343 HydrophobicContact CG1-CB 3.87Å; V334-L345 HydrophobicContact CB-CD1 4.17Å; V334-L345 HydrophobicContact CG1-CD1 4.18Å; V334-L345 HydrophobicContact CG2-CD1 4.18Å
335R98Very high97.2Very high110 Ų11048.7 Ų48.742%0.41523%0.229SC..Hα-helixtrans-67.3-11.5179.6-67.2-174.9-172150.415.3114.7E331 I333 I337 L340 E341E331-R335 WeakPolarHBondContact O-CB 3.48Å; E331-R335 WeakPolarHBondContact O-CG 3.47Å; E331-R335 PolarHBondContact O-N 3.39Å; E331-R335 IonicContact OE2-CZ 3.73Å; E331-R335 IonicContact OE2-NH2 3.07Å; E331-R335 PolarHBondContact OE2-NH2 3.03Å; I333-R335 VanDerWaalsContact C-N 3.35Å; I333-R335 PolarHBondContact O-N 3.03Å; R335-I337 VanDerWaalsContact C-N 3.35Å; R335-L340 WeakPolarHBondContact CA-O 3.43Å; R335-E341 WeakPolarHBondContact CD-O 3.38Å; R335-E341 VanDerWaalsContact CG-O 3.28Å; R335-E341 WeakPolarHBondContact CG-O 3.33Å; R335-E341 WeakPolarHBondContact O-CA 3.29Å
336C97.3Very high97.3Very high35 Ų3550.9 Ų50.924%0.23625%0.247CC..THydrogen-bonded Turntrans-84.1-9.4171.9-69.70000113.4N260 K262 V263 L266 R332 I333 V334N260-C336 PolarHBondContact ND2-O 3.28Å; K262-C336 HydrophobicContact CB-CB 4.33Å; V263-C336 HydrophobicContact CG2-CB 3.69Å; L266-C336 VanDerWaalsContact CD1-SG 3.52Å; R332-C336 PolarHBondContact O-N 3.4Å; R332-C336 PolarHBondContact O-SG 2.98Å; I333-C336 WeakPolarHBondContact O-CB 3.5Å; I333-C336 PolarHBondContact O-N 2.86Å; I333-C336 VanDerWaalsContact O-N 3.14Å; V334-C336 PolarHBondContact O-N 3.49Å; V334-C336 VanDerWaalsContact O-N 3.13Å
337I97.5Very high97.3Very high0 Ų056.8 Ų56.80%027%0.265CS..SBendtrans-88.9137.3-179.2-62.7170.1000109.2T257 T259 V263 V304 I321 V334 R335 G339 L340T257-I337 HydrophobicContact CG2-CG2 3.59Å; T259-I337 HydrophobicContact CG2-CD1 4.42Å; V263-I337 HydrophobicContact CG2-CG1 3.89Å; V304-I337 HydrophobicContact CG2-CD1 4.48Å; I321-I337 HydrophobicContact CD1-CD1 4.02Å; I321-I337 HydrophobicContact CG2-CD1 4.15Å; V334-I337 WeakPolarHBondContact O-CB 3.48Å; V334-I337 PolarHBondContact O-N 3.28Å; R335-I337 VanDerWaalsContact C-N 3.35Å; I337-G339 PolarHBondContact O-N 3.23Å; I337-L340 HydrophobicContact CB-CB 4.23Å; I337-L340 HydrophobicContact CB-CD1 3.92Å; I337-L340 HydrophobicContact CB-CG 4.22Å; I337-L340 HydrophobicContact CD1-CD1 4.26Å; I337-L340 HydrophobicContact CG2-CD1 3.78Å; I337-L340 HydrophobicContact CG2-CG 4.05Å; I337-L340 WeakPolarHBondContact O-CA 3.31Å; I337-L340 WeakPolarHBondContact O-CB 3.42Å; I337-L340 PolarHBondContact O-N 3Å
338R97.1Very high97.3Very high144 Ų14455.7 Ų55.754%0.54326%0.26SS..THydrogen-bonded Turntrans-58.7130-180-178.1-178.5176.7-160.5-6111.4G224 L225 T257 L340 E341G224-R338 PolarHBondContact O-NH2 3.31Å; L225-R338 HydrophobicContact CD2-CG 4.14Å; T257-R338 PolarHBondContact OG1-O 2.9Å; R338-L340 VanDerWaalsContact C-N 3.25Å; R338-E341 WeakPolarHBondContact CA-OE1 3.45Å
339G97.5Very high97.2Very high4 Ų451.1 Ų51.14%0.04124%0.235CC..THydrogen-bonded Turntrans84.6-7.3-176.300000113.8D221 I337 E341D221-G339 PolarHBondContact N-O 3.49Å; D221-G339 WeakPolarHBondContact O-CA 3.37Å; I337-G339 PolarHBondContact O-N 3.23Å; G339-E341 WeakPolarHBondContact CA-OE2 3.28Å; G339-E341 PolarHBondContact N-OE1 3.37Å; G339-E341 PolarHBondContact N-OE2 3.42Å
340L98.1Very high97Very high0 Ų052.5 Ų52.50%024%0.24CC..  trans-11312.2-178.9-52.8-172.7000112.4L215 V220 I306 V334 R335 I337 R338 N342 A343L215-L340 HydrophobicContact CD1-CD1 3.88Å; L215-L340 HydrophobicContact CD1-CD2 3.92Å; L215-L340 HydrophobicContact CD1-CG 4.49Å; V220-L340 HydrophobicContact CB-CD2 4.23Å; V220-L340 HydrophobicContact CG1-CD2 3.65Å; V220-L340 HydrophobicContact CG2-CD2 3.73Å; I306-L340 HydrophobicContact CD1-CD1 4.13Å; I306-L340 HydrophobicContact CD1-CD2 4.02Å; V334-L340 HydrophobicContact CG1-CB 4.01Å; V334-L340 HydrophobicContact CG1-CD1 4.11Å; V334-L340 VanDerWaalsContact O-CB 3.32Å; V334-L340 WeakPolarHBondContact O-CB 3.42Å; R335-L340 WeakPolarHBondContact CA-O 3.43Å; I337-L340 HydrophobicContact CB-CB 4.23Å; I337-L340 HydrophobicContact CB-CD1 3.92Å; I337-L340 HydrophobicContact CB-CG 4.22Å; I337-L340 HydrophobicContact CD1-CD1 4.26Å; I337-L340 HydrophobicContact CG2-CD1 3.78Å; I337-L340 HydrophobicContact CG2-CG 4.05Å; I337-L340 WeakPolarHBondContact O-CA 3.31Å; I337-L340 WeakPolarHBondContact O-CB 3.42Å; I337-L340 PolarHBondContact O-N 3Å; R338-L340 VanDerWaalsContact C-N 3.25Å; L340-N342 PolarHBondContact O-N 3.35Å; L340-N342 VanDerWaalsContact O-N 3.16Å; L340-A343 HydrophobicContact CB-CB 3.93Å; L340-A343 HydrophobicContact CD2-CB 4.37Å; L340-A343 VanDerWaalsContact O-CB 3.24Å; L340-A343 WeakPolarHBondContact O-CB 3.45Å; L340-A343 PolarHBondContact O-N 3.4Å
341E98Very high96.7Very high88 Ų8852.5 Ų52.541%0.41124%0.24SC..THydrogen-bonded Turntrans-56.8-34.8-175-64.482177.200112.5R335 R338 G339R335-E341 WeakPolarHBondContact CD-O 3.38Å; R335-E341 VanDerWaalsContact CG-O 3.28Å; R335-E341 WeakPolarHBondContact CG-O 3.33Å; R335-E341 WeakPolarHBondContact O-CA 3.29Å; R338-E341 WeakPolarHBondContact CA-OE1 3.45Å; G339-E341 WeakPolarHBondContact CA-OE2 3.28Å; G339-E341 PolarHBondContact N-OE1 3.37Å; G339-E341 PolarHBondContact N-OE2 3.42Å
342N97.7Very high96.3Very high130 Ų13050 Ų5070%0.69523%0.229SC*.THydrogen-bonded Turntrans-107.38.5178.2-63.1-50.2000113.2T219 L340 K344T219-N342 CarbonylContact O-C 3.39Å; L340-N342 PolarHBondContact O-N 3.35Å; L340-N342 VanDerWaalsContact O-N 3.16Å; N342-K344 PolarHBondContact O-N 2.97Å
343A97.7Very high95.9Very high0 Ų046.3 Ų46.30%022%0.217CC..PPolyproline II helixtrans-63.1134.1-174.400000111.2L215 T219 V220 V334 L340L215-A343 HydrophobicContact CD1-CB 4.35Å; T219-A343 WeakPolarHBondContact OG1-CA 3.3Å; V220-A343 HydrophobicContact CG2-CB 4.4Å; V334-A343 HydrophobicContact CG1-CB 3.87Å; L340-A343 HydrophobicContact CB-CB 3.93Å; L340-A343 HydrophobicContact CD2-CB 4.37Å; L340-A343 VanDerWaalsContact O-CB 3.24Å; L340-A343 WeakPolarHBondContact O-CB 3.45Å; L340-A343 PolarHBondContact O-N 3.4Å
344K97.9Very high95.6Very high129 Ų12946.4 Ų46.456%0.56122%0.217SC*.PPolyproline II helixtrans-99.1134.1172.4-67.4-176.5-175.2177.40109.9L215 V216 T219 N342 A346L215-K344 WeakPolarHBondContact CA-O 3.43Å; V216-K344 HydrophobicContact CB-CB 4.33Å; V216-K344 HydrophobicContact CG2-CB 4.05Å; V216-K344 PolarHBondContact N-O 3.28Å; T219-K344 HydrophobicContact CG2-CB 4.17Å; T219-K344 HydrophobicContact CG2-CD 4.01Å; T219-K344 HydrophobicContact CG2-CG 3.95Å; T219-K344 PolarHBondContact OG1-N 2.93Å; N342-K344 PolarHBondContact O-N 2.97Å; K344-A346 PolarHBondContact O-N 3.48Å
345L97.5Very high95.2Very high29 Ų2947.2 Ų47.215%0.15222%0.221CC..EExtended strand (participates in β ladder)trans-78.2117.2172.2-83.560.6000108.5P213 R214 L215 Q330 E331 V334P213-L345 HydrophobicContact CB-CD2 3.87Å; P213-L345 HydrophobicContact CB-CG 3.89Å; R214-L345 CarbonylContact O-C 3.56Å; R214-L345 WeakPolarHBondContact O-CA 3.37Å; L215-L345 HydrophobicContact CD2-CD1 3.77Å; L215-L345 HydrophobicContact CD2-CG 4.11Å; Q330-L345 HydrophobicContact CB-CD2 3.78Å; E331-L345 HydrophobicContact CG-CD1 4.05Å; E331-L345 HydrophobicContact CG-CD2 3.97Å; E331-L345 HydrophobicContact CG-CG 4.41Å; V334-L345 HydrophobicContact CB-CD1 4.17Å; V334-L345 HydrophobicContact CG1-CD1 4.18Å; V334-L345 HydrophobicContact CG2-CD1 4.18Å
346A96.9Very high95Very high46 Ų4642.8 Ų42.838%0.3821%0.205SC..EExtended strand (participates in β ladder)trans-78.5-33.7168.800000111.3R214 V216 L315 K344R214-A346 HydrophobicContact CB-CB 4.47Å; R214-A346 PolarHBondContact O-N 3.16Å; V216-A346 HydrophobicContact CG2-CB 3.92Å; L315-A346 HydrophobicContact CD2-CB 3.33Å; K344-A346 PolarHBondContact O-N 3.48Å
347R95.1Very high94.9Very high154 Ų15441.1 Ų41.158%0.58119%0.194SC*.EExtended strand (participates in β ladder)trans-145141.5175.5-59.3-177.2-177.2168.12.5109.6P213 R214P213-R347 CarbonylContact C-O 3.52Å; P213-R347 VanDerWaalsContact CA-O 3.25Å; P213-R347 WeakPolarHBondContact CA-O 3.38Å; P213-R347 WeakPolarHBondContact CB-O 3.43Å; R214-R347 HydrophobicContact CB-CB 4.1Å; R214-R347 HydrophobicContact CB-CG 4.5Å; R214-R347 HydrophobicContact CG-CB 4.27Å; R214-R347 PolarHBondContact N-O 2.94Å; R214-R347 PolarHBondContact O-N 3.04Å
348P95.7Very high94.7Very high34 Ų3441.8 Ų41.822%0.22120%0.197CC..  trans-71.1150.9174.231.4-34.9000111L175 V327L175-P348 HydrophobicContact CD1-CB 4.05Å; L175-P348 HydrophobicContact CD2-CB 4.48Å; L175-P348 HydrophobicContact CD2-CG 4.31Å; V327-P348 HydrophobicContact CG2-CB 3.98Å; V327-P348 HydrophobicContact CG2-CG 4.39Å
349G94.7Very high94.6Very high0 Ų035 Ų350%017%0.171CC..  trans-68.5149.9162.400000109.5L175 T211 P212 P213 M323 Q330L175-G349 WeakPolarHBondContact CD1-O 3.49Å; T211-G349 WeakPolarHBondContact O-CA 3.3Å; P212-G349 VanDerWaalsContact C-CA 3.44Å; P213-G349 VanDerWaalsContact CA-N 3.28Å; M323-G349 CarbonylContact O-C 3.58Å; M323-G349 VanDerWaalsContact O-C 3.28Å; Q330-G349 PolarHBondContact NE2-O 3.27Å
350Y93Very high94.5Very high31 Ų3136.8 Ų36.812%0.12218%0.177CC..EExtended strand (participates in β ladder)trans-153.9164.2-178.267.2-87.4000110.2I173 I185 G210 T211 M323 V352I173-Y350 HydrophobicContact CD1-CD2 4.21Å; I173-Y350 HydrophobicContact CD1-CE2 4.01Å; I173-Y350 HydrophobicContact CG1-CD2 4.16Å; I173-Y350 HydrophobicContact CG1-CE2 4.19Å; I173-Y350 HydrophobicContact CG2-CD2 3.74Å; I173-Y350 HydrophobicContact CG2-CG 4.19Å; I185-Y350 HydrophobicContact CB-CE1 4.3Å; I185-Y350 HydrophobicContact CD1-CD1 3.22Å; I185-Y350 HydrophobicContact CD1-CD2 4.41Å; I185-Y350 HydrophobicContact CD1-CE1 3.49Å; I185-Y350 VanDerWaalsContact CD1-CE1 3.49Å; I185-Y350 HydrophobicContact CD1-CG 3.73Å; I185-Y350 HydrophobicContact CG1-CD1 3.74Å; I185-Y350 HydrophobicContact CG1-CD2 4.23Å; I185-Y350 HydrophobicContact CG1-CE1 3.6Å; I185-Y350 HydrophobicContact CG1-CE2 4.14Å; I185-Y350 HydrophobicContact CG1-CG 4.05Å; G210-Y350 WeakPolarHBondContact CA-O 3.42Å; T211-Y350 HydrophobicContact CG2-CD1 3.37Å; T211-Y350 HydrophobicContact CG2-CD2 4.39Å; T211-Y350 HydrophobicContact CG2-CE1 3.28Å; T211-Y350 HydrophobicContact CG2-CE2 4.31Å; T211-Y350 HydrophobicContact CG2-CG 3.97Å; T211-Y350 PolarHBondContact N-O 3.26Å; T211-Y350 PolarHBondContact O-N 3.43Å; M323-Y350 PolarHBondContact O-N 3.13Å; Y350-V352 HydrophobicContact CE2-CB 4.45Å
351G90.1Very high94.3Very high0 Ų037.8 Ų37.80%018%0.182CC..EExtended strand (participates in β ladder)trans-106.8150.7169.900000111.7I173 F174 T209I173-G351 CarbonylContact C-O 3.58Å; I173-G351 VanDerWaalsContact CA-O 3.31Å; I173-G351 WeakPolarHBondContact CA-O 3.43Å; F174-G351 WeakPolarHBondContact CD1-O 3.49Å; F174-G351 VanDerWaalsContact CE2-CA 3.5Å; F174-G351 VanDerWaalsContact CZ-CA 3.45Å; F174-G351 PolarHBondContact N-O 3.35Å; F174-G351 PolarHBondContact O-N 3.01Å; T209-G351 CarbonylContact O-C 3.58Å; T209-G351 VanDerWaalsContact O-CA 3.29Å; T209-G351 WeakPolarHBondContact O-CA 3.21Å
352V88.9Confident94.2Very high9 Ų933.7 Ų33.76%0.05516%0.163CC..EExtended strand (participates in β ladder)trans-124.9131.5171.663.60000109.4T167 E172 R208 T209 Y350 Y354T167-V352 HydrophobicContact CG2-CG1 4.16Å; E172-V352 CarbonylContact O-C 3.45Å; E172-V352 WeakPolarHBondContact O-CA 3.31Å; R208-V352 WeakPolarHBondContact CA-O 3.42Å; T209-V352 PolarHBondContact N-O 3.49Å; T209-V352 PolarHBondContact O-N 3.09Å; T209-V352 VanDerWaalsContact OG1-CG1 3.28Å; T209-V352 WeakPolarHBondContact OG1-CG1 3.3Å; Y350-V352 HydrophobicContact CE2-CB 4.45Å; V352-Y354 HydrophobicContact CG1-CD1 4.22Å; V352-Y354 HydrophobicContact CG1-CE1 4.4Å; V352-Y354 HydrophobicContact CG2-CD1 4.41Å
353Q89.6Confident94Very high30 Ų3029.7 Ų29.714%0.1414%0.139CC..EExtended strand (participates in β ladder)trans-107.6134.6170.2-171.9168.3-2.600108.8G171 E172 F174 R206 L207 R208G171-Q353 CarbonylContact C-O 3.39Å; G171-Q353 WeakPolarHBondContact CA-O 3.46Å; E172-Q353 PolarHBondContact N-O 3.13Å; E172-Q353 PolarHBondContact O-N 3.26Å; F174-Q353 HydrophobicContact CE1-CB 4.06Å; R206-Q353 HydrophobicContact CB-CG 3.93Å; R206-Q353 VanDerWaalsContact CB-NE2 3.29Å; R206-Q353 PolarHBondContact NH2-O 3.25Å; L207-Q353 VanDerWaalsContact O-CA 3.26Å; L207-Q353 WeakPolarHBondContact O-CA 3.27Å; R208-Q353 HydrophobicContact CG-CB 3.96Å; R208-Q353 HydrophobicContact CG-CG 3.88Å
354Y90.4Very high93.9Very high1 Ų130.7 Ų30.70%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-147.4156.7-176.255.3-87.1000111T167 R206 L207 T209 V352 Q379T167-Y354 HydrophobicContact CG2-CD1 3.74Å; T167-Y354 HydrophobicContact CG2-CE1 3.72Å; T167-Y354 HydrophobicContact CG2-CG 4.25Å; T167-Y354 WeakPolarHBondContact O-CB 3.42Å; R206-Y354 VanDerWaalsContact CA-O 3.29Å; R206-Y354 WeakPolarHBondContact CA-O 3.4Å; L207-Y354 HydrophobicContact CB-CE1 4.49Å; L207-Y354 HydrophobicContact CB-CE2 4.15Å; L207-Y354 PolarHBondContact N-O 3.27Å; L207-Y354 PolarHBondContact O-N 2.76Å; T209-Y354 HydrophobicContact CG2-CE1 4.14Å; V352-Y354 HydrophobicContact CG1-CD1 4.22Å; V352-Y354 HydrophobicContact CG1-CE1 4.4Å; V352-Y354 HydrophobicContact CG2-CD1 4.41Å; Y354-Q379 HydrophobicContact CE2-CB 4.1Å
355D90.9Very high93.8Very high17 Ų1725 Ų259%0.09112%0.121CC..EExtended strand (participates in β ladder)trans-75.2137.5175.7-67.8-7.1000110.2L169 S170 S194 L204 S205 R206L169-D355 HydrophobicContact CB-CB 4.3Å; L169-D355 HydrophobicContact CD2-CB 3.96Å; L169-D355 HydrophobicContact CG-CB 4.06Å; L169-D355 PolarHBondContact O-N 2.9Å; S170-D355 VanDerWaalsContact CB-CG 3.49Å; S170-D355 WeakPolarHBondContact CB-OD2 3.46Å; S170-D355 PolarHBondContact OG-OD2 2.9Å; S194-D355 PolarHBondContact OG-OD2 3.26Å; L204-D355 HydrophobicContact CD2-CB 4.33Å; S205-D355 WeakPolarHBondContact O-CA 3.49Å; R206-D355 WeakPolarHBondContact CG-OD1 3.47Å; R206-D355 IonicContact NE-OD1 2.85Å; R206-D355 PolarHBondContact NE-OD1 3.31Å; R206-D355 VanDerWaalsContact NE-OD1 3.16Å
356Y93.8Very high93.8Very high17 Ų1723.6 Ų23.67%0.06711%0.114CC..EExtended strand (participates in β ladder)trans-131156.1168.384.1-73.3000109.4L204 S205 L207 I380 T431L204-Y356 WeakPolarHBondContact CA-O 3.11Å; S205-Y356 VanDerWaalsContact C-CD1 3.45Å; S205-Y356 PolarHBondContact N-O 3.28Å; S205-Y356 VanDerWaalsContact O-CD1 3.22Å; S205-Y356 WeakPolarHBondContact O-CD1 3.41Å; S205-Y356 PolarHBondContact O-N 3.29Å; L207-Y356 HydrophobicContact CB-CD1 4.29Å; L207-Y356 HydrophobicContact CD1-CD1 3.77Å; L207-Y356 HydrophobicContact CD1-CD2 4.04Å; L207-Y356 HydrophobicContact CD1-CE1 4.05Å; L207-Y356 HydrophobicContact CD1-CE2 4.32Å; L207-Y356 HydrophobicContact CD1-CG 3.74Å; L207-Y356 HydrophobicContact CD2-CD1 4.41Å; L207-Y356 HydrophobicContact CD2-CE1 3.99Å; L207-Y356 HydrophobicContact CG-CD1 3.46Å; L207-Y356 VanDerWaalsContact CG-CD1 3.46Å; L207-Y356 HydrophobicContact CG-CE1 3.53Å; L207-Y356 HydrophobicContact CG-CG 3.99Å; Y356-I380 CarbonylContact C-O 3.58Å; Y356-I380 WeakPolarHBondContact CA-O 3.31Å; Y356-I380 WeakPolarHBondContact CB-O 3.36Å; Y356-T431 HydrophobicContact CE2-CG2 3.98Å; Y356-T431 PolarHBondContact OH-O 3Å
357I94.3Very high93.9Very high0 Ų022.4 Ų22.40%010%0.101CC..EExtended strand (participates in β ladder)trans-96.2137175.6-69.4175.4000108.4L197 A202 L204 P359 Q361 L376 I380L197-I357 HydrophobicContact CB-CD1 4.29Å; L197-I357 HydrophobicContact CD1-CD1 3.93Å; L197-I357 HydrophobicContact CD2-CD1 4.16Å; L197-I357 HydrophobicContact CG-CD1 4.35Å; A202-I357 HydrophobicContact CB-CD1 3.75Å; A202-I357 HydrophobicContact CB-CG1 4.05Å; L204-I357 HydrophobicContact CD2-CD1 4.24Å; L204-I357 HydrophobicContact CD2-CG1 3.49Å; L204-I357 VanDerWaalsContact CD2-CG1 3.49Å; I357-P359 WeakPolarHBondContact O-CD 3.42Å; I357-Q361 HydrophobicContact CG2-CB 4.43Å; I357-L376 HydrophobicContact CB-CD1 4.03Å; I357-L376 HydrophobicContact CD1-CD1 3.46Å; I357-L376 VanDerWaalsContact CD1-CD1 3.46Å; I357-L376 HydrophobicContact CG1-CD1 4.26Å; I357-L376 HydrophobicContact CG2-CD1 4.11Å; I357-I380 HydrophobicContact CD1-CD1 4.31Å; I357-I380 HydrophobicContact CD1-CG1 4.48Å; I357-I380 HydrophobicContact CG1-CG1 4.46Å; I357-I380 PolarHBondContact N-O 3.44Å
358D94.2Very high93.9Very high15 Ų1515.1 Ų15.18%0.087%0.073CC..  trans-55.2111.7171.3178.51.1000110.2R203 R360 Q361R203-D358 HydrophobicContact CB-CB 4.38Å; R203-D358 IonicContact CZ-OD2 3.05Å; R203-D358 IonicContact NE-OD2 2.86Å; R203-D358 IonicContact NH2-OD2 2.68Å; R203-D358 PolarHBondContact NH2-OD2 3.34Å; R203-D358 PolarHBondContact O-N 3.49Å; R203-D358 VanDerWaalsContact O-N 3.15Å; D358-R360 PolarHBondContact O-N 3.5Å; D358-R360 WeakPolarHBondContact OD1-CB 3.45Å; D358-R360 IonicContact OD1-CZ 3.22Å; D358-R360 PolarHBondContact OD1-N 3.35Å; D358-R360 VanDerWaalsContact OD1-N 3.16Å; D358-R360 IonicContact OD1-NE 2.65Å; D358-R360 PolarHBondContact OD1-NE 3.12Å; D358-R360 IonicContact OD1-NH2 3.56Å; D358-R360 PolarHBondContact OD1-NH2 2.89Å; D358-R360 IonicContact OD2-CZ 3.32Å; D358-R360 IonicContact OD2-NE 3.09Å; D358-R360 PolarHBondContact OD2-NE 2.85Å; D358-R360 VanDerWaalsContact OD2-NE 3.13Å; D358-R360 IonicContact OD2-NH2 2.88Å; D358-R360 PolarHBondContact OD2-NH2 3.34Å; D358-Q361 WeakPolarHBondContact O-CB 3.36Å; D358-Q361 PolarHBondContact O-N 3.29Å
359P95.4Very high93.7Very high0 Ų016.1 Ų16.10%07%0.074CC..G310 helixtrans-66.8-10.9-171.824-31.1000113.4I357 Q361 L362 N381 L426 T431I357-P359 WeakPolarHBondContact O-CD 3.42Å; P359-Q361 PolarHBondContact O-N 2.92Å; P359-L362 HydrophobicContact CB-CD1 4.37Å; P359-L362 VanDerWaalsContact O-CB 3.31Å; P359-L362 WeakPolarHBondContact O-CB 3.5Å; P359-L362 PolarHBondContact O-N 3.46Å; P359-N381 WeakPolarHBondContact CG-O 3.23Å; P359-L426 HydrophobicContact CB-CB 3.9Å; P359-L426 HydrophobicContact CG-CB 4.12Å; P359-L426 HydrophobicContact CG-CD2 4.14Å; P359-L426 WeakPolarHBondContact CG-O 3.49Å; P359-T431 HydrophobicContact CG-CG2 4.44Å
360R94Very high93.5Very high42 Ų4217.9 Ų17.916%0.1588%0.082CC..G310 helixtrans-65.2-14.9169.4-65.2169.9-69-173.17.7113.3D358 L362 K369D358-R360 PolarHBondContact O-N 3.5Å; D358-R360 WeakPolarHBondContact OD1-CB 3.45Å; D358-R360 IonicContact OD1-CZ 3.22Å; D358-R360 PolarHBondContact OD1-N 3.35Å; D358-R360 VanDerWaalsContact OD1-N 3.16Å; D358-R360 IonicContact OD1-NE 2.65Å; D358-R360 PolarHBondContact OD1-NE 3.12Å; D358-R360 IonicContact OD1-NH2 3.56Å; D358-R360 PolarHBondContact OD1-NH2 2.89Å; D358-R360 IonicContact OD2-CZ 3.32Å; D358-R360 IonicContact OD2-NE 3.09Å; D358-R360 PolarHBondContact OD2-NE 2.85Å; D358-R360 VanDerWaalsContact OD2-NE 3.13Å; D358-R360 IonicContact OD2-NH2 2.88Å; D358-R360 PolarHBondContact OD2-NH2 3.34Å; R360-L362 PolarHBondContact O-N 3.02Å; R360-K369 PolarHBondContact O-NZ 3.03Å
361Q94Very high93.5Very high22 Ų2216.5 Ų16.510%0.1038%0.076CC..G310 helixtrans-80.52169.8-62.5-171.6-83.100113.4G201 R203 I357 D358 P359 K369 F370G201-Q361 PolarHBondContact O-NE2 3.22Å; R203-Q361 VanDerWaalsContact CB-OE1 3.28Å; I357-Q361 HydrophobicContact CG2-CB 4.43Å; D358-Q361 WeakPolarHBondContact O-CB 3.36Å; D358-Q361 PolarHBondContact O-N 3.29Å; P359-Q361 PolarHBondContact O-N 2.92Å; Q361-K369 WeakPolarHBondContact O-CB 3.14Å; Q361-K369 WeakPolarHBondContact O-CG 3.45Å; Q361-K369 PolarHBondContact O-N 3.4Å; Q361-F370 HydrophobicContact CB-CD1 4.23Å; Q361-F370 HydrophobicContact CB-CE1 4.17Å
362L95.6Very high93.7Very high1 Ų119 Ų191%0.0059%0.09CC..BIsolated β-bridgetrans-103.9148.2175.3-53.6176.7000111.2P359 R360 L366 E367 T368 K369 L376 N381 T427P359-L362 HydrophobicContact CB-CD1 4.37Å; P359-L362 VanDerWaalsContact O-CB 3.31Å; P359-L362 WeakPolarHBondContact O-CB 3.5Å; P359-L362 PolarHBondContact O-N 3.46Å; R360-L362 PolarHBondContact O-N 3.02Å; L362-L366 HydrophobicContact CD1-CD2 4.25Å; L362-E367 CarbonylContact C-O 3.54Å; L362-E367 WeakPolarHBondContact CA-O 3.45Å; L362-T368 HydrophobicContact CD2-CG2 3.76Å; L362-K369 VanDerWaalsContact O-CE 3.3Å; L362-K369 WeakPolarHBondContact O-CE 3.18Å; L362-L376 HydrophobicContact CD1-CB 4.37Å; L362-L376 HydrophobicContact CD2-CB 4.17Å; L362-L376 HydrophobicContact CD2-CD1 3.89Å; L362-L376 HydrophobicContact CD2-CG 3.99Å; L362-N381 HydrophobicContact CD1-CB 4.44Å; L362-N381 WeakPolarHBondContact CD1-OD1 3.45Å; L362-T427 HydrophobicContact CB-CG2 3.96Å
363K94.7Very high94.1Very high47 Ų4718.7 Ų18.720%0.2049%0.089CC..  trans-73.7164.8162.9-59179-165.7165.10109.1S365 L366 E367 K369K363-S365 WeakPolarHBondContact CB-OG 3.31Å; K363-S365 PolarHBondContact O-N 3.4Å; K363-L366 WeakPolarHBondContact O-CA 3.19Å; K363-L366 PolarHBondContact O-N 2.78Å; K363-E367 HydrophobicContact CD-CB 4.32Å; K363-E367 PolarHBondContact N-O 3.08Å; K363-E367 IonicContact NZ-OE2 3.81Å; K363-E367 PolarHBondContact NZ-OE2 3.14Å; K363-K369 HydrophobicContact CG-CG 3.96Å
364T94.6Very high94.5Very high21 Ų2117.3 Ų17.313%0.1298%0.082CC..THydrogen-bonded Turntrans-65.1-10.8174.256.70000113.2L366 V411 I423T364-L366 VanDerWaalsContact C-N 3.26Å; T364-V411 WeakPolarHBondContact OG1-CG1 3.43Å; T364-I423 WeakPolarHBondContact O-CG2 3.32Å
365S96.6Very high94.9Very high8 Ų817.3 Ų17.36%0.0568%0.082CC..THydrogen-bonded Turntrans-80.6-2.517059.30000113.9K363 E367 N399K363-S365 WeakPolarHBondContact CB-OG 3.31Å; K363-S365 PolarHBondContact O-N 3.4Å; S365-E367 PolarHBondContact O-N 3.08Å; S365-E367 WeakPolarHBondContact OG-CB 3.09Å; S365-E367 PolarHBondContact OG-N 3.2Å; S365-N399 WeakPolarHBondContact CA-ND2 3.45Å; S365-N399 WeakPolarHBondContact CB-ND2 3.47Å; S365-N399 PolarHBondContact O-ND2 2.89Å
366L98.1Very high95.2Very high1 Ų116.5 Ų16.51%0.0058%0.078CC..SBendtrans66.66.5-168.7-56.2177.3000115.2L362 K363 T364 F375 L376 Q392 I395 A396 I423L362-L366 HydrophobicContact CD1-CD2 4.25Å; K363-L366 WeakPolarHBondContact O-CA 3.19Å; K363-L366 PolarHBondContact O-N 2.78Å; T364-L366 VanDerWaalsContact C-N 3.26Å; L366-F375 WeakPolarHBondContact O-CA 3.22Å; L366-L376 PolarHBondContact O-N 3.46Å; L366-L376 VanDerWaalsContact O-N 3.15Å; L366-Q392 HydrophobicContact CD1-CB 3.84Å; L366-Q392 HydrophobicContact CD1-CG 4.18Å; L366-Q392 VanDerWaalsContact CD1-O 3.28Å; L366-Q392 WeakPolarHBondContact CD1-O 3.15Å; L366-I395 HydrophobicContact CD1-CB 4.11Å; L366-I395 HydrophobicContact CD1-CG2 4.14Å; L366-I395 HydrophobicContact CG-CG2 4.38Å; L366-A396 HydrophobicContact CB-CB 4.39Å; L366-A396 HydrophobicContact CD1-CB 4.15Å; L366-I423 HydrophobicContact CD1-CD1 4.02Å; L366-I423 HydrophobicContact CD2-CD1 4.27Å; L366-I423 HydrophobicContact CD2-CG1 4.16Å; L366-I423 HydrophobicContact CD2-CG2 3.99Å; L366-I423 HydrophobicContact CG-CD1 4.11Å
367E97.5Very high95.4Very high21 Ų2115.7 Ų15.710%0.0988%0.075CC..BIsolated β-bridgetrans-70.9140.9167.5-163.8-177.1-153.400109.9L362 K363 S365 G373 L374 F375L362-E367 CarbonylContact C-O 3.54Å; L362-E367 WeakPolarHBondContact CA-O 3.45Å; K363-E367 HydrophobicContact CD-CB 4.32Å; K363-E367 PolarHBondContact N-O 3.08Å; K363-E367 IonicContact NZ-OE2 3.81Å; K363-E367 PolarHBondContact NZ-OE2 3.14Å; S365-E367 PolarHBondContact O-N 3.08Å; S365-E367 WeakPolarHBondContact OG-CB 3.09Å; S365-E367 PolarHBondContact OG-N 3.2Å; E367-G373 PolarHBondContact OE1-N 3.22Å; E367-L374 CarbonylContact C-O 3.21Å; E367-L374 WeakPolarHBondContact CA-O 3.14Å; E367-F375 HydrophobicContact CB-CD1 3.87Å; E367-F375 HydrophobicContact CB-CE1 3.49Å; E367-F375 VanDerWaalsContact CB-CE1 3.49Å; E367-F375 HydrophobicContact CB-CZ 3.92Å; E367-F375 HydrophobicContact CG-CD1 4.42Å; E367-F375 HydrophobicContact CG-CE1 3.97Å; E367-F375 HydrophobicContact CG-CE2 4.26Å; E367-F375 HydrophobicContact CG-CZ 3.88Å
368T95.4Very high95.5Very high0 Ų015.7 Ų15.70%08%0.075CC..BIsolated β-bridgetrans-68.7143.3174.473.10000111.2L362 F370 M371 L374 L376L362-T368 HydrophobicContact CD2-CG2 3.76Å; T368-F370 VanDerWaalsContact C-N 3.3Å; T368-F370 HydrophobicContact CG2-CE1 3.96Å; T368-F370 HydrophobicContact CG2-CE2 4.33Å; T368-F370 HydrophobicContact CG2-CZ 3.74Å; T368-M371 WeakPolarHBondContact OG1-CA 3.27Å; T368-M371 WeakPolarHBondContact OG1-CB 3.34Å; T368-M371 PolarHBondContact OG1-N 3.08Å; T368-M371 VanDerWaalsContact OG1-N 3.09Å; T368-M371 PolarHBondContact OG1-O 3.29Å; T368-L374 HydrophobicContact CG2-CB 4.3Å; T368-L374 HydrophobicContact CG2-CD2 3.96Å; T368-L374 HydrophobicContact CG2-CG 3.94Å; T368-L374 WeakPolarHBondContact CG2-O 3.49Å; T368-L374 PolarHBondContact N-O 2.95Å; T368-L376 HydrophobicContact CG2-CD1 4.01Å; T368-L376 HydrophobicContact CG2-CD2 4.27Å; T368-L376 HydrophobicContact CG2-CG 3.76Å
369K91.7Very high95.5Very high56 Ų5616.4 Ų16.424%0.2438%0.078CC..SBendtrans-73.4-23.6174.7-68.4175.1177.1168.90112.6R360 Q361 L362 K363 R605R360-K369 PolarHBondContact O-NZ 3.03Å; Q361-K369 WeakPolarHBondContact O-CB 3.14Å; Q361-K369 WeakPolarHBondContact O-CG 3.45Å; Q361-K369 PolarHBondContact O-N 3.4Å; L362-K369 VanDerWaalsContact O-CE 3.3Å; L362-K369 WeakPolarHBondContact O-CE 3.18Å; K363-K369 HydrophobicContact CG-CG 3.96Å; K369-R605 PolarHBondContact NZ-O 3.29Å
370F90.6Very high95.5Very high37 Ų3716.4 Ų16.416%0.1628%0.078CC..SBendtrans-95.8-11.9-175.959.5-96.6000113.8L200 A202 Q361 T368 L374L200-F370 HydrophobicContact CB-CD2 4.47Å; L200-F370 HydrophobicContact CB-CE2 4.41Å; A202-F370 HydrophobicContact CB-CE1 4.27Å; A202-F370 HydrophobicContact CB-CE2 4.49Å; A202-F370 HydrophobicContact CB-CZ 3.89Å; Q361-F370 HydrophobicContact CB-CD1 4.23Å; Q361-F370 HydrophobicContact CB-CE1 4.17Å; T368-F370 VanDerWaalsContact C-N 3.3Å; T368-F370 HydrophobicContact CG2-CE1 3.96Å; T368-F370 HydrophobicContact CG2-CE2 4.33Å; T368-F370 HydrophobicContact CG2-CZ 3.74Å; F370-L374 HydrophobicContact CE2-CD2 4.27Å
371M93.2Very high95.6Very high1 Ų114.4 Ų14.41%0.0057%0.07CC..SBendtrans-146.5122.5178.5-177.5170.2-63.600112.1L134 I136 P143 V145 L200 T368 L374L134-M371 HydrophobicContact CD1-SD 4.4Å; I136-M371 HydrophobicContact CD1-CE 4.03Å; I136-M371 HydrophobicContact CG1-CE 3.77Å; I136-M371 HydrophobicContact CG1-SD 4.4Å; I136-M371 HydrophobicContact CG2-CE 4.27Å; P143-M371 HydrophobicContact CB-CE 4.46Å; P143-M371 WeakPolarHBondContact O-CA 3.47Å; V145-M371 HydrophobicContact CB-CG 4.42Å; V145-M371 HydrophobicContact CB-SD 3.96Å; V145-M371 HydrophobicContact CG2-SD 4.48Å; L200-M371 HydrophobicContact CB-CE 4.12Å; L200-M371 HydrophobicContact CD1-CE 3.34Å; L200-M371 HydrophobicContact CD1-SD 4.39Å; L200-M371 HydrophobicContact CD2-CE 3.64Å; L200-M371 HydrophobicContact CG-CE 3.83Å; T368-M371 WeakPolarHBondContact OG1-CA 3.27Å; T368-M371 WeakPolarHBondContact OG1-CB 3.34Å; T368-M371 PolarHBondContact OG1-N 3.08Å; T368-M371 VanDerWaalsContact OG1-N 3.09Å; T368-M371 PolarHBondContact OG1-O 3.29Å; M371-L374 HydrophobicContact CB-CB 4.04Å; M371-L374 HydrophobicContact CB-CD2 4.18Å; M371-L374 HydrophobicContact CG-CB 3.81Å; M371-L374 HydrophobicContact CG-CD2 4.31Å; M371-L374 HydrophobicContact SD-CB 3.98Å; M371-L374 HydrophobicContact SD-CD2 3.74Å; M371-L374 HydrophobicContact SD-CG 4.41Å
372N94.8Very high95.6Very high53 Ų5313.4 Ų13.428%0.2837%0.065SC..BIsolated β-bridgetrans-71.8140.9176.2-67.6-20.7000111C142 P143 T144 V145 L374C142-N372 WeakPolarHBondContact CB-ND2 3.14Å; P143-N372 PolarHBondContact O-N 3.37Å; T144-N372 HydrophobicContact CG2-CB 4.1Å; V145-N372 PolarHBondContact N-O 3.28Å; N372-L374 PolarHBondContact O-N 2.9Å
373G96.7Very high95.5Very high3 Ų313.3 Ų13.33%0.0317%0.065CC..THydrogen-bonded Turntrans74.53.1-179.600000114.5V145 S160 V161 E367V145-G373 VanDerWaalsContact CG1-C 3.47Å; V145-G373 VanDerWaalsContact CG1-O 3.27Å; V145-G373 WeakPolarHBondContact CG1-O 3.27Å; S160-G373 CarbonylContact C-O 3.53Å; S160-G373 WeakPolarHBondContact CA-O 3.39Å; S160-G373 PolarHBondContact OG-O 3.06Å; S160-G373 VanDerWaalsContact OG-O 3.11Å; V161-G373 PolarHBondContact N-O 3.21Å; E367-G373 PolarHBondContact OE1-N 3.22Å
374L97.8Very high95.3Very high0 Ų012.2 Ų12.20%06%0.062CC..EExtended strand (participates in β ladder)trans-101.9122.3175.4-178.864.2000110.2L134 V161 I163 L197 E367 T368 F370 M371 N372 L376L134-L374 HydrophobicContact CD1-CD1 4.05Å; L134-L374 HydrophobicContact CD1-CD2 4.02Å; V161-L374 HydrophobicContact CB-CD1 4.06Å; V161-L374 HydrophobicContact CG1-CD1 4.07Å; I163-L374 HydrophobicContact CD1-CD1 3.71Å; I163-L374 HydrophobicContact CG1-CD1 3.95Å; L197-L374 HydrophobicContact CD2-CD2 3.99Å; E367-L374 CarbonylContact C-O 3.21Å; E367-L374 WeakPolarHBondContact CA-O 3.14Å; T368-L374 HydrophobicContact CG2-CB 4.3Å; T368-L374 HydrophobicContact CG2-CD2 3.96Å; T368-L374 HydrophobicContact CG2-CG 3.94Å; T368-L374 WeakPolarHBondContact CG2-O 3.49Å; T368-L374 PolarHBondContact N-O 2.95Å; F370-L374 HydrophobicContact CE2-CD2 4.27Å; M371-L374 HydrophobicContact CB-CB 4.04Å; M371-L374 HydrophobicContact CB-CD2 4.18Å; M371-L374 HydrophobicContact CG-CB 3.81Å; M371-L374 HydrophobicContact CG-CD2 4.31Å; M371-L374 HydrophobicContact SD-CB 3.98Å; M371-L374 HydrophobicContact SD-CD2 3.74Å; M371-L374 HydrophobicContact SD-CG 4.41Å; N372-L374 PolarHBondContact O-N 2.9Å; L374-L376 HydrophobicContact CG-CD2 4.37Å
375F98.6Very high95.2Very high1 Ų111.8 Ų11.80%0.0046%0.062CC..EExtended strand (participates in β ladder)trans-118.3142.8179.9-63.5-97000110.5S160 V161 V162 I163 L366 E367 A396 N399 A400S160-F375 WeakPolarHBondContact OG-CE2 3.37Å; V161-F375 PolarHBondContact O-N 2.97Å; V162-F375 CarbonylContact C-O 3.03Å; V162-F375 WeakPolarHBondContact CA-O 3.29Å; V162-F375 HydrophobicContact CB-CB 4.48Å; V162-F375 HydrophobicContact CG1-CB 4.39Å; V162-F375 HydrophobicContact CG2-CB 4.12Å; I163-F375 PolarHBondContact N-O 3.39Å; L366-F375 WeakPolarHBondContact O-CA 3.22Å; E367-F375 HydrophobicContact CB-CD1 3.87Å; E367-F375 HydrophobicContact CB-CE1 3.49Å; E367-F375 VanDerWaalsContact CB-CE1 3.49Å; E367-F375 HydrophobicContact CB-CZ 3.92Å; E367-F375 HydrophobicContact CG-CD1 4.42Å; E367-F375 HydrophobicContact CG-CE1 3.97Å; E367-F375 HydrophobicContact CG-CE2 4.26Å; E367-F375 HydrophobicContact CG-CZ 3.88Å; F375-A396 HydrophobicContact CB-CB 4.2Å; F375-N399 HydrophobicContact CD1-CB 4.11Å; F375-N399 HydrophobicContact CE1-CB 3.44Å; F375-N399 VanDerWaalsContact CE1-CB 3.44Å; F375-N399 HydrophobicContact CZ-CB 4.09Å; F375-A400 HydrophobicContact CD2-CB 3.84Å; F375-A400 HydrophobicContact CE2-CB 4Å; F375-A400 HydrophobicContact CG-CB 4.37Å
376L98.2Very high95.1Very high0 Ų012.1 Ų12.10%06%0.062CC..EExtended strand (participates in β ladder)trans-120.9138.2177.9-52.2-173.1000110.3I163 I357 L362 L366 T368 L374 I380 N381I163-L376 HydrophobicContact CB-CD2 3.8Å; I163-L376 HydrophobicContact CD1-CD2 4.07Å; I163-L376 HydrophobicContact CG1-CD2 4.25Å; I163-L376 HydrophobicContact CG2-CD2 4.49Å; I357-L376 HydrophobicContact CB-CD1 4.03Å; I357-L376 HydrophobicContact CD1-CD1 3.46Å; I357-L376 VanDerWaalsContact CD1-CD1 3.46Å; I357-L376 HydrophobicContact CG1-CD1 4.26Å; I357-L376 HydrophobicContact CG2-CD1 4.11Å; L362-L376 HydrophobicContact CD1-CB 4.37Å; L362-L376 HydrophobicContact CD2-CB 4.17Å; L362-L376 HydrophobicContact CD2-CD1 3.89Å; L362-L376 HydrophobicContact CD2-CG 3.99Å; L366-L376 PolarHBondContact O-N 3.46Å; L366-L376 VanDerWaalsContact O-N 3.15Å; T368-L376 HydrophobicContact CG2-CD1 4.01Å; T368-L376 HydrophobicContact CG2-CD2 4.27Å; T368-L376 HydrophobicContact CG2-CG 3.76Å; L374-L376 HydrophobicContact CG-CD2 4.37Å; L376-I380 HydrophobicContact CB-CG2 4.04Å; L376-I380 HydrophobicContact CD2-CD1 4.3Å; L376-N381 WeakPolarHBondContact CB-OD1 3.4Å; L376-N381 PolarHBondContact O-ND2 3.05Å
377C98.1Very high95.1Very high0 Ų012.3 Ų12.30%06%0.063CC..  trans-147.5149.5177.559.30000113.8A23 V162 I163 I380 Q392 A396A23-C377 HydrophobicContact CB-CB 4.27Å; V162-C377 WeakPolarHBondContact CG1-SG 3.32Å; I163-C377 PolarHBondContact O-N 3.14Å; C377-I380 WeakPolarHBondContact O-CG2 3.43Å; C377-Q392 HydrophobicContact CB-CB 3.7Å; C377-A396 HydrophobicContact CB-CB 3.82Å
378G96.6Very high95.1Very high0 Ų011.3 Ų11.30%06%0.059CC..G310 helixtrans82.9-144.1178.700000113I380 N381 T383G378-I380 PolarHBondContact O-N 2.86Å; G378-I380 VanDerWaalsContact O-N 3.14Å; G378-N381 WeakPolarHBondContact O-CB 3.16Å; G378-N381 PolarHBondContact O-N 2.77Å; G378-T383 PolarHBondContact O-OG1 3.25Å; G378-T383 VanDerWaalsContact O-OG1 3.1Å
379Q94.2Very high95.2Very high30 Ų3011.4 Ų11.414%0.146%0.059CC..G310 helixtrans-60.1-27.5-170-76.375-4.700114G166 T167 Y354 N381 G382 T383G166-Q379 WeakPolarHBondContact O-CB 3.47Å; T167-Q379 HydrophobicContact CG2-CG 4.43Å; Y354-Q379 HydrophobicContact CE2-CB 4.1Å; Q379-N381 PolarHBondContact O-N 3.02Å; Q379-G382 PolarHBondContact O-N 3.41Å; Q379-T383 WeakPolarHBondContact CA-O 3.39Å
380I95.2Very high95.5Very high0 Ų08.7 Ų8.70%05%0.047CC..G310 helixtrans-62.1-22.9175.6-168.2169.2000112.7I163 L169 L197 Y356 I357 L376 C377 G378 G382I163-I380 HydrophobicContact CG2-CD1 3.71Å; L169-I380 HydrophobicContact CD2-CD1 3.93Å; L169-I380 HydrophobicContact CD2-CG1 4.32Å; L197-I380 HydrophobicContact CD1-CD1 4.1Å; Y356-I380 CarbonylContact C-O 3.58Å; Y356-I380 WeakPolarHBondContact CA-O 3.31Å; Y356-I380 WeakPolarHBondContact CB-O 3.36Å; I357-I380 HydrophobicContact CD1-CD1 4.31Å; I357-I380 HydrophobicContact CD1-CG1 4.48Å; I357-I380 HydrophobicContact CG1-CG1 4.46Å; I357-I380 PolarHBondContact N-O 3.44Å; L376-I380 HydrophobicContact CB-CG2 4.04Å; L376-I380 HydrophobicContact CD2-CD1 4.3Å; C377-I380 WeakPolarHBondContact O-CG2 3.43Å; G378-I380 PolarHBondContact O-N 2.86Å; G378-I380 VanDerWaalsContact O-N 3.14Å; I380-G382 VanDerWaalsContact C-N 3.28Å
381N96.4Very high95.9Very high1 Ų17 Ų71%0.0054%0.04CC..G310 helixtrans-89.27.3175.3-65.7-9.9000112.9P359 L362 L376 G378 Q379 Q392P359-N381 WeakPolarHBondContact CG-O 3.23Å; L362-N381 HydrophobicContact CD1-CB 4.44Å; L362-N381 WeakPolarHBondContact CD1-OD1 3.45Å; L376-N381 WeakPolarHBondContact CB-OD1 3.4Å; L376-N381 PolarHBondContact O-ND2 3.05Å; G378-N381 WeakPolarHBondContact O-CB 3.16Å; G378-N381 PolarHBondContact O-N 2.77Å; Q379-N381 PolarHBondContact O-N 3.02Å; N381-Q392 VanDerWaalsContact CB-OE1 3.28Å; N381-Q392 PolarHBondContact ND2-OE1 2.78Å
382G93.3Very high96.2Very high0 Ų06.9 Ų6.90%04%0.04CC..THydrogen-bonded Turntrans82.31517900000115.2L207 Q379 I380 P434 Y435L207-G382 VanDerWaalsContact CD1-CA 3.49Å; Q379-G382 PolarHBondContact O-N 3.41Å; I380-G382 VanDerWaalsContact C-N 3.28Å; G382-P434 CarbonylContact O-C 3.56Å; G382-P434 VanDerWaalsContact O-CA 3.31Å; G382-P434 WeakPolarHBondContact O-CA 3.49Å; G382-Y435 PolarHBondContact O-N 3.06Å
383T94Very high96.3Very high0 Ų04.4 Ų4.40%03%0.026CC..BIsolated β-bridgetrans-89.2158170.961.50000112.4G378 Q379 E388 Q392 M422 L426 Y435G378-T383 PolarHBondContact O-OG1 3.25Å; G378-T383 VanDerWaalsContact O-OG1 3.1Å; Q379-T383 WeakPolarHBondContact CA-O 3.39Å; T383-E388 HydrophobicContact CG2-CB 4.35Å; T383-Q392 PolarHBondContact OG1-NE2 3.38Å; T383-M422 HydrophobicContact CG2-SD 4.43Å; T383-L426 HydrophobicContact CG2-CD1 3.5Å; T383-L426 VanDerWaalsContact CG2-CD1 3.5Å; T383-L426 HydrophobicContact CG2-CD2 3.9Å; T383-L426 HydrophobicContact CG2-CG 4.28Å; T383-Y435 HydrophobicContact CG2-CD1 4.24Å
384T89.5Confident96.4Very high23 Ų234.2 Ų4.214%0.1413%0.025CC..  trans-131.9132.2167.4-176.50000112.2P434 Y435 R436T384-P434 HydrophobicContact CG2-CB 3.45Å; T384-P434 VanDerWaalsContact CG2-CB 3.45Å; T384-Y435 PolarHBondContact N-O 3.17Å; T384-R436 HydrophobicContact CG2-CG 3.61Å
385G91.8Very high96.5Very high13 Ų134.3 Ų4.313%0.1343%0.025CC..SBendtrans129.7150.7-176.800000111.5E387 E388 A389G385-E387 VanDerWaalsContact C-N 3.33Å; G385-E388 WeakPolarHBondContact CA-OE2 3.44Å; G385-A389 VanDerWaalsContact O-CB 3.31Å; G385-A389 WeakPolarHBondContact O-CB 3.3Å; G385-A389 PolarHBondContact O-N 2.88Å
386Y95.9Very high96.5Very high15 Ų154.2 Ų4.26%0.0593%0.025CC..Hα-helixtrans-73.1-34-179.1-45-44.1000111H22 M51 S52 C53 N54 F57 A389 A390H22-Y386 AromaticContact CE1-CD1 3.31Å; H22-Y386 WeakPolarHBondContact CE1-CD1 3.42Å; H22-Y386 AromaticContact CE1-CE1 3.79Å; H22-Y386 AromaticContact CE1-CG 3.63Å; H22-Y386 AromaticContact ND1-CD1 3.42Å; H22-Y386 WeakPolarHBondContact ND1-CD1 3.42Å; H22-Y386 AromaticContact ND1-CG 3.81Å; M51-Y386 HydrophobicContact CB-CE2 4.36Å; M51-Y386 HydrophobicContact CE-CD2 3.93Å; M51-Y386 HydrophobicContact CE-CE2 3.5Å; M51-Y386 VanDerWaalsContact CE-CE2 3.5Å; M51-Y386 HydrophobicContact CG-CE2 4.41Å; S52-Y386 PolarHBondContact N-OH 3.27Å; C53-Y386 VanDerWaalsContact CA-OH 3.24Å; C53-Y386 WeakPolarHBondContact CA-OH 3.39Å; C53-Y386 WeakPolarHBondContact CB-OH 3.28Å; C53-Y386 PolarHBondContact N-OH 3.16Å; N54-Y386 PolarHBondContact N-OH 3.16Å; N54-Y386 WeakPolarHBondContact O-CE2 3.4Å; N54-Y386 PolarHBondContact O-OH 2.74Å; F57-Y386 HydrophobicContact CD2-CD2 4.39Å; F57-Y386 HydrophobicContact CE1-CD2 4.44Å; F57-Y386 HydrophobicContact CE1-CG 4.46Å; F57-Y386 HydrophobicContact CE2-CD2 4.11Å; F57-Y386 HydrophobicContact CZ-CD2 4.14Å; F57-Y386 HydrophobicContact CZ-CG 4.21Å; Y386-A389 PolarHBondContact O-N 3.08Å; Y386-A390 VanDerWaalsContact O-CB 3.27Å; Y386-A390 WeakPolarHBondContact O-CB 3.48Å; Y386-A390 PolarHBondContact O-N 3.37Å
387E97.8Very high96.5Very high5 Ų54.2 Ų4.22%0.0233%0.025CC..Hα-helixtrans-71-46.7-177.2-52.185.8170.200110.8F57 G58 K62 L65 M66 G385 A389 A390 A391F57-E387 WeakPolarHBondContact CA-OE1 3.47Å; F57-E387 HydrophobicContact CD1-CG 3.96Å; G58-E387 PolarHBondContact N-OE1 2.94Å; K62-E387 HydrophobicContact CB-CB 4.15Å; K62-E387 HydrophobicContact CB-CG 3.82Å; K62-E387 WeakPolarHBondContact CD-OE2 3.43Å; K62-E387 HydrophobicContact CG-CB 4.28Å; K62-E387 HydrophobicContact CG-CG 4.2Å; K62-E387 IonicContact NZ-OE2 3.33Å; K62-E387 PolarHBondContact NZ-OE2 2.72Å; L65-E387 HydrophobicContact CB-CB 4.3Å; L65-E387 HydrophobicContact CD1-CB 4.26Å; M66-E387 HydrophobicContact CG-CB 4.02Å; M66-E387 HydrophobicContact CG-CG 3.52Å; M66-E387 HydrophobicContact SD-CB 4.12Å; M66-E387 HydrophobicContact SD-CG 3.79Å; G385-E387 VanDerWaalsContact C-N 3.33Å; E387-A389 PolarHBondContact O-N 3.19Å; E387-A390 PolarHBondContact O-N 2.79Å; E387-A391 WeakPolarHBondContact O-CB 3.14Å; E387-A391 PolarHBondContact O-N 2.75Å
388E97.2Very high96.6Very high0 Ų04.2 Ų4.20%03%0.025CC..Hα-helixtrans-58.5-40172.2-68.985.1167.700110.9K62 L65 T383 G385 Q392 M422 M437K62-E388 VanDerWaalsContact NZ-CD 3.26Å; K62-E388 IonicContact NZ-OE1 3.54Å; K62-E388 PolarHBondContact NZ-OE1 2.64Å; K62-E388 VanDerWaalsContact NZ-OE1 3.09Å; K62-E388 IonicContact NZ-OE2 3.79Å; K62-E388 PolarHBondContact NZ-OE2 2.9Å; L65-E388 HydrophobicContact CD1-CB 4.36Å; L65-E388 HydrophobicContact CD1-CG 3.9Å; T383-E388 HydrophobicContact CG2-CB 4.35Å; G385-E388 WeakPolarHBondContact CA-OE2 3.44Å; E388-Q392 WeakPolarHBondContact O-CG 3.46Å; E388-Q392 PolarHBondContact O-N 2.94Å; E388-Q392 VanDerWaalsContact O-N 3.11Å; E388-Q392 PolarHBondContact O-NE2 2.77Å; E388-M422 HydrophobicContact CB-SD 3.67Å; E388-M422 HydrophobicContact CG-SD 3.7Å; E388-M437 HydrophobicContact CG-CG 4.04Å; E388-M437 PolarHBondContact OE1-N 3.05Å
389A97.5Very high96.7Very high1 Ų14.3 Ų4.31%0.0083%0.025CC..Hα-helixtrans-68.6-48.7178.500000112.2A23 G385 Y386 E387 A391 Q392 G393A23-A389 WeakPolarHBondContact CA-O 3.42Å; A23-A389 HydrophobicContact CB-CB 4.05Å; A23-A389 WeakPolarHBondContact CB-O 3.23Å; G385-A389 VanDerWaalsContact O-CB 3.31Å; G385-A389 WeakPolarHBondContact O-CB 3.3Å; G385-A389 PolarHBondContact O-N 2.88Å; Y386-A389 PolarHBondContact O-N 3.08Å; E387-A389 PolarHBondContact O-N 3.19Å; A389-A391 VanDerWaalsContact C-N 3.35Å; A389-A391 PolarHBondContact O-N 3.19Å; A389-Q392 PolarHBondContact O-N 2.86Å; A389-G393 PolarHBondContact O-N 2.97Å
390A98.4Very high96.9Very high0 Ų02.9 Ų2.90%02%0.018CC..Hα-helixtrans-59-44.9176.400000111.6E26 C76 Y386 E387 Q392 G393 I394E26-A390 HydrophobicContact CG-CB 3.84Å; C76-A390 HydrophobicContact CB-CB 4.49Å; Y386-A390 VanDerWaalsContact O-CB 3.27Å; Y386-A390 WeakPolarHBondContact O-CB 3.48Å; Y386-A390 PolarHBondContact O-N 3.37Å; E387-A390 PolarHBondContact O-N 2.79Å; A390-Q392 PolarHBondContact O-N 3.13Å; A390-G393 PolarHBondContact O-N 3.1Å; A390-G393 VanDerWaalsContact O-N 3.13Å; A390-I394 PolarHBondContact O-N 2.75Å
391A98.6Very high97.1Very high0 Ų02.9 Ų2.90%02%0.018CC..Hα-helixtrans-60.1-39176.200000113.6L65 V69 E387 A389 I394 I395 I419 M422L65-A391 HydrophobicContact CB-CB 4.35Å; L65-A391 HydrophobicContact CD1-CB 4.18Å; L65-A391 HydrophobicContact CD2-CB 3.98Å; L65-A391 HydrophobicContact CG-CB 4.42Å; V69-A391 HydrophobicContact CG2-CB 3.95Å; E387-A391 WeakPolarHBondContact O-CB 3.14Å; E387-A391 PolarHBondContact O-N 2.75Å; A389-A391 VanDerWaalsContact C-N 3.35Å; A389-A391 PolarHBondContact O-N 3.19Å; A391-I394 VanDerWaalsContact O-CG2 3.27Å; A391-I394 WeakPolarHBondContact O-CG2 3.24Å; A391-I395 WeakPolarHBondContact O-CG1 3.44Å; A391-I419 HydrophobicContact CB-CD1 4.21Å; A391-I419 HydrophobicContact CB-CG1 3.88Å; A391-M422 HydrophobicContact CB-CE 3.59Å
392Q98.8Very high97.2Very high0 Ų02.9 Ų2.90%02%0.018CC..Hα-helixtrans-73.4-39.3172.4-71.1167.275.700111.7L366 C377 N381 T383 E388 A389 A390 I394 I395 A396 M422L366-Q392 HydrophobicContact CD1-CB 3.84Å; L366-Q392 HydrophobicContact CD1-CG 4.18Å; L366-Q392 VanDerWaalsContact CD1-O 3.28Å; L366-Q392 WeakPolarHBondContact CD1-O 3.15Å; C377-Q392 HydrophobicContact CB-CB 3.7Å; N381-Q392 VanDerWaalsContact CB-OE1 3.28Å; N381-Q392 PolarHBondContact ND2-OE1 2.78Å; T383-Q392 PolarHBondContact OG1-NE2 3.38Å; E388-Q392 WeakPolarHBondContact O-CG 3.46Å; E388-Q392 PolarHBondContact O-N 2.94Å; E388-Q392 VanDerWaalsContact O-N 3.11Å; E388-Q392 PolarHBondContact O-NE2 2.77Å; A389-Q392 PolarHBondContact O-N 2.86Å; A390-Q392 PolarHBondContact O-N 3.13Å; Q392-I394 PolarHBondContact O-N 3.35Å; Q392-I395 PolarHBondContact O-N 2.88Å; Q392-A396 WeakPolarHBondContact O-CB 3.12Å; Q392-A396 PolarHBondContact O-N 3.42Å; Q392-M422 HydrophobicContact CG-CE 3.66Å
393G98.7Very high97.4Very high0 Ų05.9 Ų5.90%04%0.037CC..Hα-helixtrans-55.1-51179.600000112.3A23 A27 A389 A390 I395 A396 G397A23-G393 WeakPolarHBondContact O-CA 3.22Å; A27-G393 WeakPolarHBondContact CA-O 3.43Å; A27-G393 VanDerWaalsContact CB-O 3.29Å; A27-G393 WeakPolarHBondContact CB-O 3.43Å; A27-G393 PolarHBondContact N-O 3.38Å; A389-G393 PolarHBondContact O-N 2.97Å; A390-G393 PolarHBondContact O-N 3.1Å; A390-G393 VanDerWaalsContact O-N 3.13Å; G393-I395 PolarHBondContact O-N 3.12Å; G393-A396 PolarHBondContact O-N 2.93Å; G393-G397 PolarHBondContact O-N 2.79Å
394I98.8Very high97.5Very high0 Ų06.2 Ų6.20%04%0.039CC..Hα-helixtrans-60.3-44179.7-167.5154.5000111.8E26 A30 V69 L72 A390 A391 Q392 G397 I398E26-I394 HydrophobicContact CB-CB 4.19Å; A30-I394 HydrophobicContact CB-CG1 4.19Å; V69-I394 HydrophobicContact CG1-CD1 4.24Å; V69-I394 HydrophobicContact CG2-CG2 4.19Å; L72-I394 HydrophobicContact CB-CD1 3.51Å; L72-I394 HydrophobicContact CB-CG1 4.17Å; L72-I394 HydrophobicContact CD1-CD1 4.5Å; L72-I394 HydrophobicContact CD1-CG1 4.49Å; L72-I394 HydrophobicContact CD1-CG2 4.23Å; A390-I394 PolarHBondContact O-N 2.75Å; A391-I394 VanDerWaalsContact O-CG2 3.27Å; A391-I394 WeakPolarHBondContact O-CG2 3.24Å; Q392-I394 PolarHBondContact O-N 3.35Å; I394-G397 PolarHBondContact O-N 2.98Å; I394-I398 HydrophobicContact CG1-CD1 3.95Å; I394-I398 WeakPolarHBondContact O-CB 3.38Å; I394-I398 WeakPolarHBondContact O-CD1 3.37Å; I394-I398 WeakPolarHBondContact O-CG1 3.48Å; I394-I398 PolarHBondContact O-N 2.79Å
395I98.8Very high97.9Very high1 Ų18.9 Ų8.91%0.0055%0.052CC..Hα-helixtrans-67.1-43.9178.5-61-58.9000111.7L72 L366 A391 Q392 G393 G397 I398 N399 F410 L412 I419 I423L72-I395 HydrophobicContact CD1-CD1 3.92Å; L366-I395 HydrophobicContact CD1-CB 4.11Å; L366-I395 HydrophobicContact CD1-CG2 4.14Å; L366-I395 HydrophobicContact CG-CG2 4.38Å; A391-I395 WeakPolarHBondContact O-CG1 3.44Å; Q392-I395 PolarHBondContact O-N 2.88Å; G393-I395 PolarHBondContact O-N 3.12Å; I395-G397 PolarHBondContact O-N 2.81Å; I395-I398 PolarHBondContact O-N 3.09Å; I395-N399 WeakPolarHBondContact CG2-ND2 3.44Å; I395-N399 WeakPolarHBondContact O-CB 3.35Å; I395-N399 PolarHBondContact O-N 2.63Å; I395-N399 PolarHBondContact O-ND2 3.19Å; I395-F410 HydrophobicContact CD1-CD1 3.9Å; I395-F410 HydrophobicContact CD1-CE1 3.95Å; I395-L412 HydrophobicContact CD1-CD1 3.94Å; I395-L412 HydrophobicContact CD1-CG 4.17Å; I395-I419 HydrophobicContact CD1-CG2 4.11Å; I395-I419 HydrophobicContact CG1-CG2 3.61Å; I395-I423 HydrophobicContact CB-CD1 4.09Å; I395-I423 HydrophobicContact CG1-CD1 3.95Å; I395-I423 HydrophobicContact CG2-CD1 3.9Å
396A98.8Very high98.1Very high0 Ų011.7 Ų11.70%08%0.081CC..Hα-helixtrans-63.5-40.7177.800000111.7V162 L366 F375 C377 Q392 G393 N399 A400V162-A396 HydrophobicContact CG1-CB 3.86Å; L366-A396 HydrophobicContact CB-CB 4.39Å; L366-A396 HydrophobicContact CD1-CB 4.15Å; F375-A396 HydrophobicContact CB-CB 4.2Å; C377-A396 HydrophobicContact CB-CB 3.82Å; Q392-A396 WeakPolarHBondContact O-CB 3.12Å; Q392-A396 PolarHBondContact O-N 3.42Å; G393-A396 PolarHBondContact O-N 2.93Å; A396-N399 PolarHBondContact O-N 3.41Å; A396-A400 WeakPolarHBondContact O-CB 3.32Å; A396-A400 PolarHBondContact O-N 3.3Å
397G98.8Very high98.2Very high0 Ų015.5 Ų15.50%010%0.098CC..Hα-helixtrans-63.9-46.117500000112.8A27 S31 G393 I394 I395 N399 A400 A401A27-G397 WeakPolarHBondContact O-CA 3.17Å; S31-G397 WeakPolarHBondContact CB-O 3.46Å; G393-G397 PolarHBondContact O-N 2.79Å; I394-G397 PolarHBondContact O-N 2.98Å; I395-G397 PolarHBondContact O-N 2.81Å; G397-N399 VanDerWaalsContact C-N 3.32Å; G397-N399 PolarHBondContact O-N 3.17Å; G397-A400 PolarHBondContact O-N 2.86Å; G397-A401 PolarHBondContact O-N 2.9Å
398I98.8Very high98.1Very high0 Ų023.4 Ų23.40%014%0.135CC..Hα-helixtrans-59-46.2176.6-68.2164.6000110.5A30 M34 I394 I395 A401 S402 F410 Q464 C466A30-I398 HydrophobicContact CB-CG1 4.04Å; M34-I398 HydrophobicContact CE-CG2 4.48Å; M34-I398 HydrophobicContact SD-CB 4.14Å; M34-I398 HydrophobicContact SD-CG1 4.28Å; M34-I398 HydrophobicContact SD-CG2 3.84Å; I394-I398 HydrophobicContact CG1-CD1 3.95Å; I394-I398 WeakPolarHBondContact O-CB 3.38Å; I394-I398 WeakPolarHBondContact O-CD1 3.37Å; I394-I398 WeakPolarHBondContact O-CG1 3.48Å; I394-I398 PolarHBondContact O-N 2.79Å; I395-I398 PolarHBondContact O-N 3.09Å; I398-A401 PolarHBondContact O-N 2.95Å; I398-S402 WeakPolarHBondContact O-CB 3.04Å; I398-S402 PolarHBondContact O-N 3.3Å; I398-S402 PolarHBondContact O-OG 3.26Å; I398-F410 HydrophobicContact CD1-CD1 4.06Å; I398-F410 HydrophobicContact CD1-CE1 4.22Å; I398-F410 HydrophobicContact CG2-CB 3.46Å; I398-F410 VanDerWaalsContact CG2-CB 3.46Å; I398-F410 HydrophobicContact CG2-CD1 4.04Å; I398-F410 HydrophobicContact CG2-CG 3.83Å; I398-Q464 HydrophobicContact CG2-CG 3.77Å; I398-C466 HydrophobicContact CD1-CB 3.88Å; I398-C466 VanDerWaalsContact CD1-SG 3.52Å; I398-C466 HydrophobicContact CG1-CB 3.63Å
399N98.9Very high98Very high2 Ų225.7 Ų25.71%0.01115%0.153CC..Hα-helixtrans-74.6-34.2-177.4-71.5-34.7000112.9S365 F375 I395 A396 G397 A401 S402 T403 F410S365-N399 WeakPolarHBondContact CA-ND2 3.45Å; S365-N399 WeakPolarHBondContact CB-ND2 3.47Å; S365-N399 PolarHBondContact O-ND2 2.89Å; F375-N399 HydrophobicContact CD1-CB 4.11Å; F375-N399 HydrophobicContact CE1-CB 3.44Å; F375-N399 VanDerWaalsContact CE1-CB 3.44Å; F375-N399 HydrophobicContact CZ-CB 4.09Å; I395-N399 WeakPolarHBondContact CG2-ND2 3.44Å; I395-N399 WeakPolarHBondContact O-CB 3.35Å; I395-N399 PolarHBondContact O-N 2.63Å; I395-N399 PolarHBondContact O-ND2 3.19Å; A396-N399 PolarHBondContact O-N 3.41Å; G397-N399 VanDerWaalsContact C-N 3.32Å; G397-N399 PolarHBondContact O-N 3.17Å; N399-A401 VanDerWaalsContact C-N 3.32Å; N399-A401 PolarHBondContact O-N 2.84Å; N399-S402 PolarHBondContact O-N 3.48Å; N399-T403 PolarHBondContact O-N 2.63Å; N399-T403 PolarHBondContact O-OG1 2.87Å; N399-F410 PolarHBondContact ND2-O 2.93Å; N399-F410 WeakPolarHBondContact OD1-CA 3.13Å; N399-F410 WeakPolarHBondContact OD1-CB 3.24Å; N399-F410 PolarHBondContact OD1-N 3.43Å; N399-F410 PolarHBondContact OD1-O 2.89Å
400A98.8Very high98Very high0 Ų026.3 Ų26.30%016%0.156CC..Hα-helixtrans-58.9-45.1171.200000111.4V15 S160 V162 F375 A396 G397 V404V15-A400 HydrophobicContact CG1-CB 3.87Å; V15-A400 HydrophobicContact CG2-CB 4.13Å; S160-A400 WeakPolarHBondContact OG-CB 3.2Å; V162-A400 HydrophobicContact CG2-CB 3.51Å; F375-A400 HydrophobicContact CD2-CB 3.84Å; F375-A400 HydrophobicContact CE2-CB 4Å; F375-A400 HydrophobicContact CG-CB 4.37Å; A396-A400 WeakPolarHBondContact O-CB 3.32Å; A396-A400 PolarHBondContact O-N 3.3Å; G397-A400 PolarHBondContact O-N 2.86Å; A400-V404 WeakPolarHBondContact O-CG2 3.17Å; A400-V404 PolarHBondContact O-N 3.31Å
401A98.7Very high97.9Very high0 Ų028.9 Ų28.90%017%0.172CC..Hα-helixtrans-67.1-40.8174.200000112.2M34 C36 G397 I398 N399 T403 V404 L405M34-A401 HydrophobicContact CB-CB 3.93Å; M34-A401 HydrophobicContact CE-CB 4.1Å; M34-A401 HydrophobicContact CG-CB 4.4Å; M34-A401 HydrophobicContact SD-CB 3.75Å; C36-A401 HydrophobicContact CB-CB 4.39Å; C36-A401 VanDerWaalsContact SG-CB 3.56Å; G397-A401 PolarHBondContact O-N 2.9Å; I398-A401 PolarHBondContact O-N 2.95Å; N399-A401 VanDerWaalsContact C-N 3.32Å; N399-A401 PolarHBondContact O-N 2.84Å; A401-T403 VanDerWaalsContact C-N 3.33Å; A401-T403 PolarHBondContact O-N 2.81Å; A401-V404 PolarHBondContact O-N 3.18Å; A401-V404 VanDerWaalsContact O-N 3.12Å; A401-L405 WeakPolarHBondContact O-CB 3.29Å; A401-L405 VanDerWaalsContact O-CG 3.26Å; A401-L405 WeakPolarHBondContact O-CG 3.19Å; A401-L405 PolarHBondContact O-N 3.07Å
402S98.5Very high97.8Very high1 Ų129.5 Ų29.51%0.00718%0.175CC..Hα-helixtrans-59.7-42.8178.7-59.20000111.9I398 N399 V404 L405 G406 K407 Q464I398-S402 WeakPolarHBondContact O-CB 3.04Å; I398-S402 PolarHBondContact O-N 3.3Å; I398-S402 PolarHBondContact O-OG 3.26Å; N399-S402 PolarHBondContact O-N 3.48Å; S402-V404 VanDerWaalsContact C-N 3.34Å; S402-V404 PolarHBondContact O-N 3.02Å; S402-L405 CarbonylContact O-C 3.56Å; S402-L405 PolarHBondContact O-N 3.5Å; S402-G406 PolarHBondContact O-N 2.96Å; S402-K407 PolarHBondContact O-N 3.01Å; S402-Q464 PolarHBondContact OG-NE2 3.49Å
403T97.5Very high97.4Very high62 Ų6231.5 Ų31.538%0.3819%0.186SC..Hα-helixtrans-59.2-43.1174.1-65.10000112N399 A401 G406N399-T403 PolarHBondContact O-N 2.63Å; N399-T403 PolarHBondContact O-OG1 2.87Å; A401-T403 VanDerWaalsContact C-N 3.33Å; A401-T403 PolarHBondContact O-N 2.81Å; T403-G406 PolarHBondContact O-N 3.19Å
404V97.4Very high97.2Very high8 Ų831.7 Ų31.75%0.04819%0.186CC..Hα-helixtrans-66.9-40.4178.8175.90000111.9D14 V15 R159 A400 A401 S402 G406D14-V404 HydrophobicContact CB-CG1 3.84Å; D14-V404 HydrophobicContact CB-CG2 4.41Å; D14-V404 WeakPolarHBondContact O-CG2 3.5Å; D14-V404 WeakPolarHBondContact OD1-CG1 3.33Å; V15-V404 HydrophobicContact CG2-CG2 4.17Å; R159-V404 HydrophobicContact CB-CG1 4.49Å; R159-V404 HydrophobicContact CB-CG2 3.83Å; R159-V404 PolarHBondContact NH1-O 2.75Å; R159-V404 PolarHBondContact NH2-O 2.66Å; A400-V404 WeakPolarHBondContact O-CG2 3.17Å; A400-V404 PolarHBondContact O-N 3.31Å; A401-V404 PolarHBondContact O-N 3.18Å; A401-V404 VanDerWaalsContact O-N 3.12Å; S402-V404 VanDerWaalsContact C-N 3.34Å; S402-V404 PolarHBondContact O-N 3.02Å; V404-G406 VanDerWaalsContact C-N 3.27Å; V404-G406 PolarHBondContact O-N 3.39Å
405L97.6Very high96.9Very high79 Ų7931.8 Ų31.841%0.41419%0.187SC..Hα-helixtrans-80.9-3.5-178.4-64173000113.4M34 A401 S402 K407M34-L405 HydrophobicContact CB-CD1 4.36Å; M34-L405 HydrophobicContact CE-CD1 4.16Å; A401-L405 WeakPolarHBondContact O-CB 3.29Å; A401-L405 VanDerWaalsContact O-CG 3.26Å; A401-L405 WeakPolarHBondContact O-CG 3.19Å; A401-L405 PolarHBondContact O-N 3.07Å; S402-L405 CarbonylContact O-C 3.56Å; S402-L405 PolarHBondContact O-N 3.5Å; L405-K407 VanDerWaalsContact C-N 3.29Å; L405-K407 HydrophobicContact CB-CG 4.14Å; L405-K407 PolarHBondContact O-N 3.32Å
406G96.4Very high96.6Very high72 Ų7232 Ų3274%0.74219%0.188SC*.THydrogen-bonded Turntrans67.527.4-176.800000113.8S402 T403 V404S402-G406 PolarHBondContact O-N 2.96Å; T403-G406 PolarHBondContact O-N 3.19Å; V404-G406 VanDerWaalsContact C-N 3.27Å; V404-G406 PolarHBondContact O-N 3.39Å
407K97Very high96.4Very high95 Ų9532 Ų3241%0.41319%0.188SC..PPolyproline II helixtrans-91.9157.3176.5-66-170.9179.3-169.80111.4S402 L405 Q464S402-K407 PolarHBondContact O-N 3.01Å; L405-K407 VanDerWaalsContact C-N 3.29Å; L405-K407 HydrophobicContact CB-CG 4.14Å; L405-K407 PolarHBondContact O-N 3.32Å; K407-Q464 PolarHBondContact NZ-O 3.13Å
408E95.8Very high96.4Very high171 Ų17132.7 Ų32.780%0.79919%0.191SC*.PPolyproline II helixtrans-61.6147169.8-168.1178.3177.600110.8F410 Q464E408-F410 PolarHBondContact O-N 2.68Å; E408-Q464 PolarHBondContact O-NE2 3.04Å
409A96.4Very high96.3Very high47 Ų4732.7 Ų32.739%0.38819%0.191SC..PPolyproline II helixtrans-63.8129.4177.500000111.3V411A409-V411 HydrophobicContact CB-CG2 4.32Å; A409-V411 PolarHBondContact O-N 2.88Å
410F97.7Very high96.2Very high14 Ų1432.6 Ų32.66%0.06119%0.191CC..  trans-74.2101170.9-169.3-103.7000110.2L72 I395 I398 N399 E408 L412 K460 Q464L72-F410 HydrophobicContact CD1-CE1 4.2Å; L72-F410 HydrophobicContact CD2-CE1 3.82Å; L72-F410 HydrophobicContact CD2-CZ 3.69Å; I395-F410 HydrophobicContact CD1-CD1 3.9Å; I395-F410 HydrophobicContact CD1-CE1 3.95Å; I398-F410 HydrophobicContact CD1-CD1 4.06Å; I398-F410 HydrophobicContact CD1-CE1 4.22Å; I398-F410 HydrophobicContact CG2-CB 3.46Å; I398-F410 VanDerWaalsContact CG2-CB 3.46Å; I398-F410 HydrophobicContact CG2-CD1 4.04Å; I398-F410 HydrophobicContact CG2-CG 3.83Å; N399-F410 PolarHBondContact ND2-O 2.93Å; N399-F410 WeakPolarHBondContact OD1-CA 3.13Å; N399-F410 WeakPolarHBondContact OD1-CB 3.24Å; N399-F410 PolarHBondContact OD1-N 3.43Å; N399-F410 PolarHBondContact OD1-O 2.89Å; E408-F410 PolarHBondContact O-N 2.68Å; F410-L412 HydrophobicContact CE1-CD1 4.35Å; F410-L412 HydrophobicContact CE1-CD2 3.71Å; F410-L412 HydrophobicContact CE1-CG 3.92Å; F410-L412 HydrophobicContact CZ-CD2 3.73Å; F410-L412 HydrophobicContact CZ-CG 4.45Å; F410-K460 HydrophobicContact CE2-CB 3.95Å; F410-K460 HydrophobicContact CZ-CB 4.21Å; F410-Q464 HydrophobicContact CB-CG 4.03Å; F410-Q464 HydrophobicContact CD2-CB 3.79Å; F410-Q464 HydrophobicContact CD2-CG 3.77Å; F410-Q464 HydrophobicContact CE2-CB 4.15Å; F410-Q464 HydrophobicContact CG-CG 4.14Å
411V95.9Very high96.1Very high55 Ų5532.6 Ų32.633%0.33319%0.191SC..  trans-113.6126.2177.9178.60000109.2T364 A409T364-V411 WeakPolarHBondContact OG1-CG1 3.43Å; A409-V411 HydrophobicContact CB-CG2 4.32Å; A409-V411 PolarHBondContact O-N 2.88Å
412L95.4Very high96Very high12 Ų1232.6 Ų32.66%0.06319%0.191CC..  trans-94.4132.3169.5-61.4-176.1000110.1L72 I395 F410 S417 I419 G420 L457L72-L412 HydrophobicContact CD1-CD1 4.11Å; I395-L412 HydrophobicContact CD1-CD1 3.94Å; I395-L412 HydrophobicContact CD1-CG 4.17Å; F410-L412 HydrophobicContact CE1-CD1 4.35Å; F410-L412 HydrophobicContact CE1-CD2 3.71Å; F410-L412 HydrophobicContact CE1-CG 3.92Å; F410-L412 HydrophobicContact CZ-CD2 3.73Å; F410-L412 HydrophobicContact CZ-CG 4.45Å; L412-S417 WeakPolarHBondContact CB-OG 3.13Å; L412-I419 HydrophobicContact CD1-CB 4.02Å; L412-I419 HydrophobicContact CD1-CD1 4.38Å; L412-I419 HydrophobicContact CD1-CG2 4.04Å; L412-G420 VanDerWaalsContact O-CA 3.3Å; L412-G420 WeakPolarHBondContact O-CA 3.34Å; L412-L457 HydrophobicContact CD1-CD1 4.3Å; L412-L457 HydrophobicContact CD1-CD2 4.09Å; L412-L457 HydrophobicContact CD2-CD2 3.79Å
413D91.2Very high95.9Very high43 Ų4332.9 Ų32.923%0.2319%0.192CC..  trans-90.8158.9178.172.988.2000111.6T415 T416 S417D413-T415 PolarHBondContact O-N 2.65Å; D413-T415 VanDerWaalsContact OD1-CA 3.26Å; D413-T415 WeakPolarHBondContact OD1-CA 3.48Å; D413-T415 WeakPolarHBondContact OD1-CB 3.4Å; D413-T415 PolarHBondContact OD1-N 2.96Å; D413-T415 PolarHBondContact OD1-OG1 2.91Å; D413-T416 VanDerWaalsContact CG-OG1 3.26Å; D413-T416 PolarHBondContact O-N 3.05Å; D413-T416 VanDerWaalsContact O-N 3.09Å; D413-T416 PolarHBondContact O-OG1 3.3Å; D413-T416 PolarHBondContact OD1-N 3.22Å; D413-T416 VanDerWaalsContact OD1-N 3.15Å; D413-T416 WeakPolarHBondContact OD2-CB 3.44Å; D413-T416 WeakPolarHBondContact OD2-CG2 3.49Å; D413-T416 PolarHBondContact OD2-OG1 3.34Å; D413-S417 PolarHBondContact O-N 3.01Å; D413-S417 PolarHBondContact O-OG 3.44Å
414R93.7Very high95.8Very high4 Ų430.3 Ų30.32%0.01518%0.176CC..THydrogen-bonded Turntrans-67.6-14.5-177.874.7-176.2-58.3103.7-0.3114.5V421 D424 D425 E443 L574 Y578R414-V421 HydrophobicContact CB-CB 4.46Å; R414-V421 HydrophobicContact CB-CG2 3.82Å; R414-V421 WeakPolarHBondContact O-CG2 3.36Å; R414-D424 WeakPolarHBondContact CD-OD2 3.35Å; R414-D424 IonicContact CZ-OD2 2.95Å; R414-D424 IonicContact NE-OD2 3.35Å; R414-D424 IonicContact NH1-OD2 3.38Å; R414-D424 PolarHBondContact NH1-OD2 3.22Å; R414-D425 IonicContact CZ-OD1 2.8Å; R414-D425 IonicContact NH1-OD1 3.58Å; R414-D425 PolarHBondContact NH1-OD1 3.27Å; R414-D425 VanDerWaalsContact NH1-OD1 3.07Å; R414-D425 IonicContact NH2-OD1 2.97Å; R414-D425 PolarHBondContact NH2-OD1 2.84Å; R414-E443 IonicContact CZ-OE1 3.57Å; R414-E443 IonicContact CZ-OE2 3.58Å; R414-E443 IonicContact NE-OE1 2.69Å; R414-E443 PolarHBondContact NE-OE1 3.39Å; R414-E443 IonicContact NE-OE2 3.02Å; R414-E443 PolarHBondContact NE-OE2 2.85Å; R414-E443 VanDerWaalsContact NE-OE2 3.08Å; R414-E443 IonicContact NH2-OE1 2.96Å; R414-E443 PolarHBondContact NH2-OE1 2.89Å; R414-E443 IonicContact NH2-OE2 3.69Å; R414-E443 PolarHBondContact NH2-OE2 3.2Å; R414-L574 HydrophobicContact CG-CD2 4.08Å; R414-Y578 VanDerWaalsContact CD-CZ 3.47Å; R414-Y578 VanDerWaalsContact CD-OH 3.24Å; R414-Y578 WeakPolarHBondContact CD-OH 3.48Å; R414-Y578 HydrophobicContact CG-CE2 4.39Å
415T92.6Very high95.6Very high2 Ų230.5 Ų30.51%0.01218%0.177CC..THydrogen-bonded Turntrans-85-16.6174.479.50000112.7D413 F444 Y447 L448 I571 L574 R575D413-T415 PolarHBondContact O-N 2.65Å; D413-T415 VanDerWaalsContact OD1-CA 3.26Å; D413-T415 WeakPolarHBondContact OD1-CA 3.48Å; D413-T415 WeakPolarHBondContact OD1-CB 3.4Å; D413-T415 PolarHBondContact OD1-N 2.96Å; D413-T415 PolarHBondContact OD1-OG1 2.91Å; T415-F444 HydrophobicContact CG2-CD2 4.24Å; T415-F444 HydrophobicContact CG2-CE2 3.78Å; T415-Y447 WeakPolarHBondContact O-CD1 3.38Å; T415-Y447 WeakPolarHBondContact O-CE1 3.3Å; T415-L448 WeakPolarHBondContact O-CD2 3.4Å; T415-I571 HydrophobicContact CG2-CG2 4.39Å; T415-L574 HydrophobicContact CG2-CB 4.13Å; T415-L574 HydrophobicContact CG2-CD2 3.89Å; T415-L574 HydrophobicContact CG2-CG 4.24Å; T415-R575 HydrophobicContact CG2-CG 4.08Å; T415-R575 PolarHBondContact OG1-NE 3.36Å; T415-R575 PolarHBondContact OG1-NH2 3.49Å
416T92.1Very high95.5Very high4 Ų426.8 Ų26.83%0.02516%0.157CC..THydrogen-bonded Turntrans-110.7-15.8-175.858.90000114.1D413 L448 R456D413-T416 VanDerWaalsContact CG-OG1 3.26Å; D413-T416 PolarHBondContact O-N 3.05Å; D413-T416 VanDerWaalsContact O-N 3.09Å; D413-T416 PolarHBondContact O-OG1 3.3Å; D413-T416 PolarHBondContact OD1-N 3.22Å; D413-T416 VanDerWaalsContact OD1-N 3.15Å; D413-T416 WeakPolarHBondContact OD2-CB 3.44Å; D413-T416 WeakPolarHBondContact OD2-CG2 3.49Å; D413-T416 PolarHBondContact OD2-OG1 3.34Å; T416-L448 WeakPolarHBondContact O-CD2 3.42Å; T416-R456 PolarHBondContact O-NH1 3.3Å
417S96.2Very high95.4Very high0 Ų023.5 Ų23.50%012%0.122CC..  trans-158.6153.1-179.661.90000115.3E68 L412 D413 I419 G420 V421E68-S417 WeakPolarHBondContact OE1-CA 3.44Å; E68-S417 WeakPolarHBondContact OE1-CB 3.42Å; E68-S417 WeakPolarHBondContact OE2-CB 3.31Å; L412-S417 WeakPolarHBondContact CB-OG 3.13Å; D413-S417 PolarHBondContact O-N 3.01Å; D413-S417 PolarHBondContact O-OG 3.44Å; S417-I419 VanDerWaalsContact C-N 3.31Å; S417-G420 PolarHBondContact O-N 3.19Å; S417-G420 WeakPolarHBondContact OG-CA 3.35Å; S417-G420 PolarHBondContact OG-N 3.1Å; S417-V421 WeakPolarHBondContact O-CG2 3.43Å; S417-V421 PolarHBondContact O-N 3.44Å
418Y96.9Very high95.2Very high15 Ų1519 Ų196%0.05910%0.103CC..Hα-helixtrans-64.5-33.8164.7-94.3-112.6000111.7H64 E68 G420 V421 M422 M437 A442 L448H64-Y418 HydrophobicContact CB-CD1 3.87Å; H64-Y418 HydrophobicContact CB-CD2 3.91Å; H64-Y418 HydrophobicContact CB-CE1 4.31Å; H64-Y418 HydrophobicContact CB-CE2 4.3Å; H64-Y418 HydrophobicContact CB-CG 3.71Å; H64-Y418 AromaticContact CD2-CD2 3.97Å; H64-Y418 AromaticContact CD2-CE2 3.58Å; H64-Y418 AromaticContact CD2-CZ 3.86Å; E68-Y418 PolarHBondContact OE1-N 3.42Å; E68-Y418 WeakPolarHBondContact OE2-CA 3.35Å; E68-Y418 WeakPolarHBondContact OE2-CB 3.18Å; E68-Y418 PolarHBondContact OE2-N 3.09Å; Y418-G420 VanDerWaalsContact C-N 3.31Å; Y418-G420 PolarHBondContact O-N 2.94Å; Y418-V421 PolarHBondContact O-N 2.95Å; Y418-M422 WeakPolarHBondContact O-CB 3.48Å; Y418-M422 PolarHBondContact O-N 3.01Å; Y418-M437 HydrophobicContact CD1-CE 3.26Å; Y418-M437 HydrophobicContact CE1-CE 4.11Å; Y418-M437 HydrophobicContact CG-CE 3.91Å; Y418-M437 WeakPolarHBondContact O-CE 3.35Å; Y418-A442 HydrophobicContact CE1-CB 4.27Å; Y418-A442 HydrophobicContact CE2-CB 3.95Å; Y418-L448 HydrophobicContact CD2-CB 3.8Å; Y418-L448 HydrophobicContact CD2-CD1 4.21Å; Y418-L448 HydrophobicContact CE2-CB 3.68Å; Y418-L448 HydrophobicContact CE2-CD1 4.32Å; Y418-L448 WeakPolarHBondContact CE2-O 3.46Å
419I97.9Very high95Very high0 Ų013.6 Ų13.60%08%0.079CC..Hα-helixtrans-58.1-46.2170.7-63.9178.7000110.1L65 E68 V69 L72 A391 I395 L412 S417 M422 I423L65-I419 HydrophobicContact CD2-CB 4.43Å; L65-I419 HydrophobicContact CD2-CG1 3.78Å; E68-I419 HydrophobicContact CB-CD1 3.68Å; E68-I419 HydrophobicContact CB-CG1 3.97Å; E68-I419 WeakPolarHBondContact OE2-CG1 3.24Å; E68-I419 PolarHBondContact OE2-N 3.11Å; V69-I419 HydrophobicContact CG2-CD1 4.26Å; L72-I419 HydrophobicContact CD1-CD1 4.12Å; A391-I419 HydrophobicContact CB-CD1 4.21Å; A391-I419 HydrophobicContact CB-CG1 3.88Å; I395-I419 HydrophobicContact CD1-CG2 4.11Å; I395-I419 HydrophobicContact CG1-CG2 3.61Å; L412-I419 HydrophobicContact CD1-CB 4.02Å; L412-I419 HydrophobicContact CD1-CD1 4.38Å; L412-I419 HydrophobicContact CD1-CG2 4.04Å; S417-I419 VanDerWaalsContact C-N 3.31Å; I419-M422 WeakPolarHBondContact O-CB 3.46Å; I419-M422 PolarHBondContact O-N 3.05Å; I419-I423 HydrophobicContact CG2-CD1 3.81Å; I419-I423 HydrophobicContact CG2-CG1 4.44Å; I419-I423 WeakPolarHBondContact O-CG1 3.4Å; I419-I423 PolarHBondContact O-N 2.84Å
420G96.2Very high94.8Very high1 Ų111.8 Ų11.81%0.017%0.065CC..Hα-helixtrans-63.4-42176.300000112.7L412 S417 Y418 D424L412-G420 VanDerWaalsContact O-CA 3.3Å; L412-G420 WeakPolarHBondContact O-CA 3.34Å; S417-G420 PolarHBondContact O-N 3.19Å; S417-G420 WeakPolarHBondContact OG-CA 3.35Å; S417-G420 PolarHBondContact OG-N 3.1Å; Y418-G420 VanDerWaalsContact C-N 3.31Å; Y418-G420 PolarHBondContact O-N 2.94Å; G420-D424 WeakPolarHBondContact O-CB 3.43Å; G420-D424 PolarHBondContact O-N 3.35Å
421V96.1Very high94.4Very high0 Ų012.2 Ų12.20%07%0.069CC..Hα-helixtrans-57.7-49.1172.5172.20000110.7R414 S417 Y418 D424 D425 M437 A442 L448R414-V421 HydrophobicContact CB-CB 4.46Å; R414-V421 HydrophobicContact CB-CG2 3.82Å; R414-V421 WeakPolarHBondContact O-CG2 3.36Å; S417-V421 WeakPolarHBondContact O-CG2 3.43Å; S417-V421 PolarHBondContact O-N 3.44Å; Y418-V421 PolarHBondContact O-N 2.95Å; V421-D424 PolarHBondContact O-N 3.14Å; V421-D425 WeakPolarHBondContact O-CB 3.39Å; V421-D425 PolarHBondContact O-N 3.25Å; V421-M437 HydrophobicContact CB-CE 4.29Å; V421-M437 HydrophobicContact CG1-CE 4.21Å; V421-A442 HydrophobicContact CG1-CB 4.5Å; V421-A442 HydrophobicContact CG2-CB 4.07Å; V421-L448 HydrophobicContact CG2-CD1 4.31Å
422M97Very high93.7Very high0 Ų012.7 Ų12.70%08%0.075CC..Hα-helixtrans-59.3-54.1-179.7-175175.755.800111.8L65 T383 E388 A391 Q392 Y418 I419 D424 D425 L426 Y435 M437L65-M422 HydrophobicContact CD1-CE 4.47Å; L65-M422 HydrophobicContact CD1-SD 4.1Å; L65-M422 HydrophobicContact CD2-CE 4.32Å; T383-M422 HydrophobicContact CG2-SD 4.43Å; E388-M422 HydrophobicContact CB-SD 3.67Å; E388-M422 HydrophobicContact CG-SD 3.7Å; A391-M422 HydrophobicContact CB-CE 3.59Å; Q392-M422 HydrophobicContact CG-CE 3.66Å; Y418-M422 WeakPolarHBondContact O-CB 3.48Å; Y418-M422 PolarHBondContact O-N 3.01Å; I419-M422 WeakPolarHBondContact O-CB 3.46Å; I419-M422 PolarHBondContact O-N 3.05Å; M422-D424 VanDerWaalsContact C-N 3.3Å; M422-D424 PolarHBondContact O-N 2.87Å; M422-D425 PolarHBondContact O-N 2.88Å; M422-L426 HydrophobicContact CG-CD1 3.91Å; M422-L426 WeakPolarHBondContact O-CB 3.2Å; M422-L426 VanDerWaalsContact O-CG 3.25Å; M422-L426 WeakPolarHBondContact O-CG 3.32Å; M422-L426 PolarHBondContact O-N 3.41Å; M422-Y435 HydrophobicContact CB-CE1 4.42Å; M422-Y435 HydrophobicContact CG-CD1 4.25Å; M422-Y435 HydrophobicContact CG-CE1 3.73Å; M422-M437 HydrophobicContact CB-CE 4.16Å; M422-M437 HydrophobicContact CB-SD 3.44Å; M422-M437 WeakPolarHBondContact CB-SD 3.5Å; M422-M437 HydrophobicContact CG-SD 3.8Å; M422-M437 HydrophobicContact SD-CG 4.26Å; M422-M437 HydrophobicContact SD-SD 4.28Å
423I96.8Very high93.1Very high6 Ų613.1 Ų13.13%0.0318%0.076CC..Hα-helixtrans-64.7-40-175.5-68.2176.7000110.1T364 L366 I395 I419 L426 T427T364-I423 WeakPolarHBondContact O-CG2 3.32Å; L366-I423 HydrophobicContact CD1-CD1 4.02Å; L366-I423 HydrophobicContact CD2-CD1 4.27Å; L366-I423 HydrophobicContact CD2-CG1 4.16Å; L366-I423 HydrophobicContact CD2-CG2 3.99Å; L366-I423 HydrophobicContact CG-CD1 4.11Å; I395-I423 HydrophobicContact CB-CD1 4.09Å; I395-I423 HydrophobicContact CG1-CD1 3.95Å; I395-I423 HydrophobicContact CG2-CD1 3.9Å; I419-I423 HydrophobicContact CG2-CD1 3.81Å; I419-I423 HydrophobicContact CG2-CG1 4.44Å; I419-I423 WeakPolarHBondContact O-CG1 3.4Å; I419-I423 PolarHBondContact O-N 2.84Å; I423-L426 PolarHBondContact O-N 3.44Å; I423-T427 HydrophobicContact CG2-CG2 4.15Å; I423-T427 WeakPolarHBondContact O-CB 3.42Å; I423-T427 VanDerWaalsContact O-CG2 3.3Å; I423-T427 WeakPolarHBondContact O-CG2 3.48Å; I423-T427 PolarHBondContact O-N 3Å; I423-T427 PolarHBondContact O-OG1 3.38Å
424D94.9Very high92.9Very high8 Ų811.3 Ų11.34%0.0437%0.067CC..Hα-helixtrans-69.5-39.2177.7-179.637.7000112.2R414 G420 V421 M422 S428 Y578 R614R414-D424 WeakPolarHBondContact CD-OD2 3.35Å; R414-D424 IonicContact CZ-OD2 2.95Å; R414-D424 IonicContact NE-OD2 3.35Å; R414-D424 IonicContact NH1-OD2 3.38Å; R414-D424 PolarHBondContact NH1-OD2 3.22Å; G420-D424 WeakPolarHBondContact O-CB 3.43Å; G420-D424 PolarHBondContact O-N 3.35Å; V421-D424 PolarHBondContact O-N 3.14Å; M422-D424 VanDerWaalsContact C-N 3.3Å; M422-D424 PolarHBondContact O-N 2.87Å; D424-S428 WeakPolarHBondContact O-CB 3.38Å; D424-S428 PolarHBondContact O-N 3.32Å; D424-S428 PolarHBondContact O-OG 2.66Å; D424-S428 VanDerWaalsContact O-OG 3.13Å; D424-S428 PolarHBondContact OD1-OG 2.94Å; D424-Y578 WeakPolarHBondContact OD2-CE1 3.38Å; D424-Y578 PolarHBondContact OD2-OH 3.26Å; D424-R614 VanDerWaalsContact C-NH2 3.26Å; D424-R614 PolarHBondContact O-NH2 3.17Å; D424-R614 IonicContact OD1-NH2 3.13Å; D424-R614 PolarHBondContact OD1-NH2 3.09Å; D424-R614 IonicContact OD2-CZ 3.36Å; D424-R614 IonicContact OD2-NE 2.85Å; D424-R614 PolarHBondContact OD2-NE 3.35Å; D424-R614 IonicContact OD2-NH2 2.8Å; D424-R614 PolarHBondContact OD2-NH2 3.22Å
425D94.6Very high92.8Very high13 Ų1312.1 Ų12.17%0.077%0.071CC..Iπ-helixtrans-58.9-48.5172.1-72.1-2000111R414 V421 M422 L429 Y435 R614R414-D425 IonicContact CZ-OD1 2.8Å; R414-D425 IonicContact NH1-OD1 3.58Å; R414-D425 PolarHBondContact NH1-OD1 3.27Å; R414-D425 VanDerWaalsContact NH1-OD1 3.07Å; R414-D425 IonicContact NH2-OD1 2.97Å; R414-D425 PolarHBondContact NH2-OD1 2.84Å; V421-D425 WeakPolarHBondContact O-CB 3.39Å; V421-D425 PolarHBondContact O-N 3.25Å; M422-D425 PolarHBondContact O-N 2.88Å; D425-L429 WeakPolarHBondContact O-CA 3.36Å; D425-L429 VanDerWaalsContact O-CB 3.25Å; D425-L429 WeakPolarHBondContact O-CB 3.41Å; D425-L429 PolarHBondContact O-N 3.23Å; D425-Y435 HydrophobicContact CB-CE2 3.62Å; D425-Y435 PolarHBondContact OD2-OH 3.48Å; D425-R614 IonicContact OD1-CZ 3.73Å; D425-R614 IonicContact OD1-NH1 3.08Å; D425-R614 PolarHBondContact OD1-NH1 3.1Å; D425-R614 IonicContact OD1-NH2 3.82Å
426L95.1Very high92.6Very high1 Ų113.9 Ų13.91%0.0058%0.077CC..Iπ-helixtrans-62-50.6178.8-69.4169.5000112.1P359 T383 M422 I423 G430 Y435P359-L426 HydrophobicContact CB-CB 3.9Å; P359-L426 HydrophobicContact CG-CB 4.12Å; P359-L426 HydrophobicContact CG-CD2 4.14Å; P359-L426 WeakPolarHBondContact CG-O 3.49Å; T383-L426 HydrophobicContact CG2-CD1 3.5Å; T383-L426 VanDerWaalsContact CG2-CD1 3.5Å; T383-L426 HydrophobicContact CG2-CD2 3.9Å; T383-L426 HydrophobicContact CG2-CG 4.28Å; M422-L426 HydrophobicContact CG-CD1 3.91Å; M422-L426 WeakPolarHBondContact O-CB 3.2Å; M422-L426 VanDerWaalsContact O-CG 3.25Å; M422-L426 WeakPolarHBondContact O-CG 3.32Å; M422-L426 PolarHBondContact O-N 3.41Å; I423-L426 PolarHBondContact O-N 3.44Å; L426-G430 VanDerWaalsContact O-CA 3.3Å; L426-G430 WeakPolarHBondContact O-CA 3.2Å; L426-G430 PolarHBondContact O-N 3.4Å; L426-Y435 HydrophobicContact CD2-CD1 4.45Å; L426-Y435 HydrophobicContact CD2-CD2 4.19Å; L426-Y435 HydrophobicContact CD2-CG 3.91Å
427T94.6Very high92.5Very high2 Ų213.7 Ų13.71%0.0128%0.076CC..Iπ-helixtrans-78.9-22.1-172.257.60000113.8L362 I423L362-T427 HydrophobicContact CB-CG2 3.96Å; I423-T427 HydrophobicContact CG2-CG2 4.15Å; I423-T427 WeakPolarHBondContact O-CB 3.42Å; I423-T427 VanDerWaalsContact O-CG2 3.3Å; I423-T427 WeakPolarHBondContact O-CG2 3.48Å; I423-T427 PolarHBondContact O-N 3Å; I423-T427 PolarHBondContact O-OG1 3.38Å
428S92.3Very high91.8Very high2 Ų217.6 Ų17.61%0.0149%0.093CC..Iπ-helixtrans-98.5-41.3178.8-58.70000112.8D424 H604 A611D424-S428 WeakPolarHBondContact O-CB 3.38Å; D424-S428 PolarHBondContact O-N 3.32Å; D424-S428 PolarHBondContact O-OG 2.66Å; D424-S428 VanDerWaalsContact O-OG 3.13Å; D424-S428 PolarHBondContact OD1-OG 2.94Å; S428-H604 PolarHBondContact O-ND1 3.34Å; S428-A611 VanDerWaalsContact OG-CB 3.25Å; S428-A611 WeakPolarHBondContact OG-CB 3.21Å
429L91.7Very high90.8Very high56 Ų5619.3 Ų19.329%0.29311%0.105SC..Iπ-helixtrans-99.3-23.2-174.4-52.8179.4000112.8D425 H604 R614D425-L429 WeakPolarHBondContact O-CA 3.36Å; D425-L429 VanDerWaalsContact O-CB 3.25Å; D425-L429 WeakPolarHBondContact O-CB 3.41Å; D425-L429 PolarHBondContact O-N 3.23Å; L429-H604 PolarHBondContact O-CE1 2.96Å; L429-R614 HydrophobicContact CD2-CB 4.3Å; L429-R614 WeakPolarHBondContact CD2-O 3.46Å
430G92.3Very high89.9Confident9 Ų919.7 Ų19.79%0.09311%0.108CC..  trans75.8-169.3-168.800000111.5L426L426-G430 VanDerWaalsContact O-CA 3.3Å; L426-G430 WeakPolarHBondContact O-CA 3.2Å; L426-G430 PolarHBondContact O-N 3.4Å
431T89.4Confident89Confident24 Ų2429.5 Ų29.515%0.14714%0.144CC..  trans-148.6138.7170.2-159.80000111.5Y356 P359 E433Y356-T431 HydrophobicContact CE2-CG2 3.98Å; Y356-T431 PolarHBondContact OH-O 3Å; P359-T431 HydrophobicContact CG-CG2 4.44Å; T431-E433 PolarHBondContact OG1-O 2.78Å
432S81.2Confident88.5Confident64 Ų6429.7 Ų29.745%0.44815%0.146SC..SBendtrans-103-15.6176.558.10000113.2N282N282-S432 WeakPolarHBondContact CB-O 3.26Å
433E83Confident88Confident21 Ų2133.8 Ų33.810%0.09817%0.165CC..SBendtrans-133.6169.8173.965.4-175.5140.600108.6R285 T431 Y435R285-E433 WeakPolarHBondContact CB-OE2 3.32Å; R285-E433 IonicContact CZ-OE1 3.4Å; R285-E433 PolarHBondContact N-OE2 2.66Å; R285-E433 IonicContact NE-OE1 3.87Å; R285-E433 PolarHBondContact NE-OE1 3.2Å; R285-E433 IonicContact NE-OE2 3.61Å; R285-E433 IonicContact NH2-OE1 2.81Å; R285-E433 PolarHBondContact NH2-OE1 2.87Å; T431-E433 PolarHBondContact OG1-O 2.78Å; E433-Y435 PolarHBondContact O-N 3.36Å
434P86.7Confident87.7Confident6 Ų633.9 Ų33.94%0.03917%0.165CC..  trans-62.5115.3177.2-22.735.6000111.4L207 T209 P284 G382 T384L207-P434 HydrophobicContact CB-CG 4.3Å; L207-P434 HydrophobicContact CD1-CG 4.27Å; L207-P434 HydrophobicContact CD2-CG 4.15Å; L207-P434 HydrophobicContact CG-CG 4.46Å; T209-P434 HydrophobicContact CG2-CB 4.42Å; T209-P434 HydrophobicContact CG2-CG 4.01Å; P284-P434 HydrophobicContact CG-CG 4.27Å; G382-P434 CarbonylContact O-C 3.56Å; G382-P434 VanDerWaalsContact O-CA 3.31Å; G382-P434 WeakPolarHBondContact O-CA 3.49Å; T384-P434 HydrophobicContact CG2-CB 3.45Å; T384-P434 VanDerWaalsContact CG2-CB 3.45Å
435Y91.8Very high87.5Confident21 Ų2139.1 Ų39.18%0.08218%0.184CC..BIsolated β-bridgetrans-65.3139.1-178.7-179-79.9000111G382 T383 T384 M422 D425 L426 E433 M437 S440G382-Y435 PolarHBondContact O-N 3.06Å; T383-Y435 HydrophobicContact CG2-CD1 4.24Å; T384-Y435 PolarHBondContact N-O 3.17Å; M422-Y435 HydrophobicContact CB-CE1 4.42Å; M422-Y435 HydrophobicContact CG-CD1 4.25Å; M422-Y435 HydrophobicContact CG-CE1 3.73Å; D425-Y435 HydrophobicContact CB-CE2 3.62Å; D425-Y435 PolarHBondContact OD2-OH 3.48Å; L426-Y435 HydrophobicContact CD2-CD1 4.45Å; L426-Y435 HydrophobicContact CD2-CD2 4.19Å; L426-Y435 HydrophobicContact CD2-CG 3.91Å; E433-Y435 PolarHBondContact O-N 3.36Å; Y435-M437 HydrophobicContact CE1-CG 4.3Å; Y435-M437 HydrophobicContact CE1-SD 3.52Å; Y435-M437 VanDerWaalsContact CE1-SD 3.52Å; Y435-M437 PolarHBondContact OH-SD 3.02Å; Y435-S440 WeakPolarHBondContact OH-CB 3.46Å
436R88.2Confident87.3Confident38 Ų3840.5 Ų40.514%0.14319%0.191CC..  trans-135137.5178.5-60.5-173.9-174.8-132.51.6110.4Y286 C287 T384 F438 T439Y286-R436 PolarHBondContact O-NE 2.99Å; Y286-R436 VanDerWaalsContact O-NE 3.07Å; Y286-R436 PolarHBondContact O-NH2 2.95Å; C287-R436 PolarHBondContact SG-NH1 2.8Å; T384-R436 HydrophobicContact CG2-CG 3.61Å; R436-F438 VanDerWaalsContact C-N 3.29Å; R436-F438 HydrophobicContact CB-CD1 3.85Å; R436-F438 HydrophobicContact CB-CE1 3.85Å; R436-F438 HydrophobicContact CG-CE1 4.36Å; R436-F438 PolarHBondContact O-N 3.11Å; R436-T439 PolarHBondContact O-N 2.81Å; R436-T439 PolarHBondContact O-OG1 2.81Å
437M89.2Confident87.1Confident1 Ų143.1 Ų43.11%0.00520%0.202CC..G310 helixtrans-65.2-29-172.4-90-49.7-80.700115.4L65 E388 Y418 V421 M422 Y435 T439 S440L65-M437 HydrophobicContact CD1-CB 4.18Å; L65-M437 HydrophobicContact CD1-CG 3.31Å; L65-M437 HydrophobicContact CD2-CE 4.36Å; L65-M437 HydrophobicContact CD2-CG 4.15Å; L65-M437 HydrophobicContact CG-CG 3.76Å; E388-M437 HydrophobicContact CG-CG 4.04Å; E388-M437 PolarHBondContact OE1-N 3.05Å; Y418-M437 HydrophobicContact CD1-CE 3.26Å; Y418-M437 HydrophobicContact CE1-CE 4.11Å; Y418-M437 HydrophobicContact CG-CE 3.91Å; Y418-M437 WeakPolarHBondContact O-CE 3.35Å; V421-M437 HydrophobicContact CB-CE 4.29Å; V421-M437 HydrophobicContact CG1-CE 4.21Å; M422-M437 HydrophobicContact CB-CE 4.16Å; M422-M437 HydrophobicContact CB-SD 3.44Å; M422-M437 WeakPolarHBondContact CB-SD 3.5Å; M422-M437 HydrophobicContact CG-SD 3.8Å; M422-M437 HydrophobicContact SD-CG 4.26Å; M422-M437 HydrophobicContact SD-SD 4.28Å; Y435-M437 HydrophobicContact CE1-CG 4.3Å; Y435-M437 HydrophobicContact CE1-SD 3.52Å; Y435-M437 VanDerWaalsContact CE1-SD 3.52Å; Y435-M437 PolarHBondContact OH-SD 3.02Å; M437-T439 PolarHBondContact O-N 3.4Å; M437-S440 WeakPolarHBondContact CE-OG 3.39Å; M437-S440 VanDerWaalsContact O-CB 3.23Å; M437-S440 WeakPolarHBondContact O-CB 3.17Å; M437-S440 PolarHBondContact O-N 2.77Å; M437-S440 PolarHBondContact O-OG 2.82Å
438F81.9Confident87.1Confident82 Ų8243 Ų4336%0.3620%0.201SC..G310 helixtrans-68.2-17.8-178.577.4-97.2000113.3Y286 R436 S440Y286-F438 AromaticContact CD1-CE2 3.54Å; Y286-F438 HydrophobicContact CD1-CE2 3.54Å; Y286-F438 AromaticContact CD1-CZ 3.78Å; Y286-F438 HydrophobicContact CD1-CZ 3.78Å; Y286-F438 HydrophobicContact CE1-CE2 4.22Å; Y286-F438 HydrophobicContact CG-CE2 4.1Å; Y286-F438 AromaticContact CG-CZ 3.98Å; Y286-F438 HydrophobicContact CG-CZ 3.98Å; R436-F438 VanDerWaalsContact C-N 3.29Å; R436-F438 HydrophobicContact CB-CD1 3.85Å; R436-F438 HydrophobicContact CB-CE1 3.85Å; R436-F438 HydrophobicContact CG-CE1 4.36Å; R436-F438 PolarHBondContact O-N 3.11Å; F438-S440 VanDerWaalsContact C-N 3.32Å
439T75.9Confident87.2Confident51 Ų5143 Ų4331%0.31320%0.201SC..G310 helixtrans-86.2-10.2175.262.80000112.1Y286 R436 M437Y286-T439 HydrophobicContact CD1-CG2 3.7Å; Y286-T439 HydrophobicContact CD2-CG2 3.34Å; Y286-T439 HydrophobicContact CE1-CG2 3.94Å; Y286-T439 HydrophobicContact CE2-CG2 3.59Å; Y286-T439 HydrophobicContact CG-CG2 3.37Å; R436-T439 PolarHBondContact O-N 2.81Å; R436-T439 PolarHBondContact O-OG1 2.81Å; M437-T439 PolarHBondContact O-N 3.4Å
440S79.3Confident87.3Confident8 Ų840.3 Ų40.36%0.05619%0.187CC..  trans-70.3148.2-179.7770000111.5Y435 M437 F438Y435-S440 WeakPolarHBondContact OH-CB 3.46Å; M437-S440 WeakPolarHBondContact CE-OG 3.39Å; M437-S440 VanDerWaalsContact O-CB 3.23Å; M437-S440 WeakPolarHBondContact O-CB 3.17Å; M437-S440 PolarHBondContact O-N 2.77Å; M437-S440 PolarHBondContact O-OG 2.82Å; F438-S440 VanDerWaalsContact C-N 3.32Å
441R76.9Confident87.4Confident206 Ų20640 Ų4078%0.77718%0.183SC*.  trans-104.980.6171.7-68.4-173.4-179.1-175.60.6108.7E443R441-E443 PolarHBondContact O-N 3.42Å
442A85.8Confident87.7Confident5 Ų539.6 Ų39.64%0.04118%0.18CC..  trans-63.5120.4162.400000108.6Y418 V421 F444 R445 L448Y418-A442 HydrophobicContact CE1-CB 4.27Å; Y418-A442 HydrophobicContact CE2-CB 3.95Å; V421-A442 HydrophobicContact CG1-CB 4.5Å; V421-A442 HydrophobicContact CG2-CB 4.07Å; A442-F444 VanDerWaalsContact C-N 3.33Å; A442-R445 HydrophobicContact CB-CG 4.2Å; A442-R445 WeakPolarHBondContact O-CG 3.16Å; A442-R445 PolarHBondContact O-NE 3.07Å; A442-L448 HydrophobicContact CB-CD1 4.25Å
443E86.6Confident88.5Confident85 Ų8536.6 Ų36.640%0.39716%0.159SC..THydrogen-bonded Turntrans-70.6-32.9-176.7-60.783.117500111.4R414 R441R414-E443 IonicContact CZ-OE1 3.57Å; R414-E443 IonicContact CZ-OE2 3.58Å; R414-E443 IonicContact NE-OE1 2.69Å; R414-E443 PolarHBondContact NE-OE1 3.39Å; R414-E443 IonicContact NE-OE2 3.02Å; R414-E443 PolarHBondContact NE-OE2 2.85Å; R414-E443 VanDerWaalsContact NE-OE2 3.08Å; R414-E443 IonicContact NH2-OE1 2.96Å; R414-E443 PolarHBondContact NH2-OE1 2.89Å; R414-E443 IonicContact NH2-OE2 3.69Å; R414-E443 PolarHBondContact NH2-OE2 3.2Å; R441-E443 PolarHBondContact O-N 3.42Å
444F90.8Very high89.2Confident8 Ų835.9 Ų35.94%0.03516%0.156CC..THydrogen-bonded Turntrans-110.348.9-172.1-55.4-70.3000112.6T415 A442 I446 Y447 L448 D567 R570 I571 L574T415-F444 HydrophobicContact CG2-CD2 4.24Å; T415-F444 HydrophobicContact CG2-CE2 3.78Å; A442-F444 VanDerWaalsContact C-N 3.33Å; F444-I446 PolarHBondContact O-N 3.36Å; F444-I446 VanDerWaalsContact O-N 3.11Å; F444-Y447 PolarHBondContact O-N 2.88Å; F444-L448 HydrophobicContact CB-CD1 4.38Å; F444-L448 HydrophobicContact CB-CG 4.28Å; F444-L448 WeakPolarHBondContact O-CB 3.21Å; F444-L448 WeakPolarHBondContact O-CG 3.43Å; F444-L448 PolarHBondContact O-N 2.93Å; F444-D567 HydrophobicContact CD1-CB 4.31Å; F444-R570 HydrophobicContact CE1-CB 3.82Å; F444-R570 HydrophobicContact CZ-CB 4.18Å; F444-I571 HydrophobicContact CD1-CD1 4Å; F444-I571 HydrophobicContact CD1-CG1 3.45Å; F444-I571 VanDerWaalsContact CD1-CG1 3.45Å; F444-I571 HydrophobicContact CD2-CG1 4.05Å; F444-I571 HydrophobicContact CE1-CB 4.4Å; F444-I571 HydrophobicContact CE1-CD1 4.39Å; F444-I571 HydrophobicContact CE1-CG1 3.39Å; F444-I571 HydrophobicContact CE2-CG1 4Å; F444-I571 HydrophobicContact CG-CD1 4.2Å; F444-I571 HydrophobicContact CG-CG1 3.77Å; F444-I571 HydrophobicContact CZ-CB 4.38Å; F444-I571 HydrophobicContact CZ-CG1 3.67Å; F444-L574 HydrophobicContact CE2-CD2 3.69Å; F444-L574 HydrophobicContact CZ-CB 4.49Å; F444-L574 HydrophobicContact CZ-CD2 4.27Å
445R89.3Confident89.6Confident118 Ų11838.2 Ų38.245%0.44517%0.17SC..THydrogen-bonded Turntrans-55.9-31.7-174.4-59.6-176177.3179.2-9.5114A442A442-R445 HydrophobicContact CB-CG 4.2Å; A442-R445 WeakPolarHBondContact O-CG 3.16Å; A442-R445 PolarHBondContact O-NE 3.07Å
446I90.5Very high89.9Confident42 Ų4237.8 Ų37.822%0.21517%0.168CC..THydrogen-bonded Turntrans-75.4-30.8-178.8-64173.5000111.7A97 F444 R449 Y560 V563 L564A97-I446 HydrophobicContact CB-CG1 4.22Å; F444-I446 PolarHBondContact O-N 3.36Å; F444-I446 VanDerWaalsContact O-N 3.11Å; I446-R449 VanDerWaalsContact O-CD 3.25Å; I446-R449 WeakPolarHBondContact O-CD 3.27Å; I446-R449 WeakPolarHBondContact O-CG 3.43Å; I446-R449 PolarHBondContact O-NH1 2.91Å; I446-Y560 HydrophobicContact CG2-CD1 3.54Å; I446-Y560 HydrophobicContact CG2-CD2 4.31Å; I446-Y560 HydrophobicContact CG2-CE1 4.22Å; I446-Y560 HydrophobicContact CG2-CG 3.59Å; I446-V563 HydrophobicContact CD1-CB 4.14Å; I446-V563 HydrophobicContact CD1-CG1 3.4Å; I446-V563 VanDerWaalsContact CD1-CG1 3.4Å; I446-L564 HydrophobicContact CG2-CD2 3.84Å; I446-L564 HydrophobicContact CG2-CG 4.07Å
447Y92.4Very high90.3Very high57 Ų5736 Ų3622%0.22416%0.161CC..THydrogen-bonded Turntrans-80.6-42.4172.9-179-104.4000111.8T415 F444 R449 N452 R456 L564 I571T415-Y447 WeakPolarHBondContact O-CD1 3.38Å; T415-Y447 WeakPolarHBondContact O-CE1 3.3Å; F444-Y447 PolarHBondContact O-N 2.88Å; Y447-R449 VanDerWaalsContact C-N 3.26Å; Y447-R449 PolarHBondContact O-N 2.78Å; Y447-N452 PolarHBondContact O-ND2 2.83Å; Y447-N452 PolarHBondContact O-OD1 3.34Å; Y447-R456 HydrophobicContact CE1-CG 4.27Å; Y447-L564 HydrophobicContact CD2-CD2 4.1Å; Y447-I571 HydrophobicContact CD1-CD1 4.21Å; Y447-I571 HydrophobicContact CD2-CD1 4.48Å; Y447-I571 HydrophobicContact CG-CD1 4.08Å
448L94.2Very high90.8Very high0 Ų036 Ų360%016%0.161CC..SBendtrans-83.161.9-176.1-61.3-179.9000111.9H64 T415 T416 Y418 V421 A442 F444H64-L448 PolarHBondContact CD2-O 3.25Å; H64-L448 VanDerWaalsContact CD2-O 3.24Å; T415-L448 WeakPolarHBondContact O-CD2 3.4Å; T416-L448 WeakPolarHBondContact O-CD2 3.42Å; Y418-L448 HydrophobicContact CD2-CB 3.8Å; Y418-L448 HydrophobicContact CD2-CD1 4.21Å; Y418-L448 HydrophobicContact CE2-CB 3.68Å; Y418-L448 HydrophobicContact CE2-CD1 4.32Å; Y418-L448 WeakPolarHBondContact CE2-O 3.46Å; V421-L448 HydrophobicContact CG2-CD1 4.31Å; A442-L448 HydrophobicContact CB-CD1 4.25Å; F444-L448 HydrophobicContact CB-CD1 4.38Å; F444-L448 HydrophobicContact CB-CG 4.28Å; F444-L448 WeakPolarHBondContact O-CB 3.21Å; F444-L448 WeakPolarHBondContact O-CG 3.43Å; F444-L448 PolarHBondContact O-N 2.93Å
449R94Very high91.6Very high0 Ų034.1 Ų34.10%016%0.161CC..  trans-92.1157-177.3-48.4-164.1-56.3-86.1-2.4112.1A97 I446 Y447 D451 N452 R456 D557A97-R449 HydrophobicContact CB-CG 4.33Å; I446-R449 VanDerWaalsContact O-CD 3.25Å; I446-R449 WeakPolarHBondContact O-CD 3.27Å; I446-R449 WeakPolarHBondContact O-CG 3.43Å; I446-R449 PolarHBondContact O-NH1 2.91Å; Y447-R449 VanDerWaalsContact C-N 3.26Å; Y447-R449 PolarHBondContact O-N 2.78Å; R449-D451 VanDerWaalsContact C-N 3.33Å; R449-D451 WeakPolarHBondContact CB-OD1 3.05Å; R449-D451 IonicContact CZ-OD1 2.79Å; R449-D451 IonicContact CZ-OD2 2.71Å; R449-D451 IonicContact NE-OD1 3.35Å; R449-D451 PolarHBondContact NE-OD1 2.9Å; R449-D451 IonicContact NE-OD2 3.84Å; R449-D451 PolarHBondContact NE-OD2 3.47Å; R449-D451 IonicContact NH2-OD2 3.58Å; R449-D451 PolarHBondContact NH2-OD2 3.5Å; R449-N452 PolarHBondContact N-OD1 2.89Å; R449-N452 PolarHBondContact O-OD1 2.8Å; R449-R456 PolarHBondContact O-NH2 3.33Å; R449-D557 IonicContact CZ-OD1 2.95Å; R449-D557 IonicContact NH1-OD1 3.81Å; R449-D557 IonicContact NH2-OD1 3.79Å; R449-D557 PolarHBondContact NH2-OD1 2.96Å
450P94.7Very high92.6Very high0 Ų035.3 Ų35.30%016%0.162CC..SBendtrans-71.6-26.7176.127.5-33.2000112.9R67 W99 Y101 F239R67-P450 HydrophobicContact CB-CB 4.24Å; R67-P450 WeakPolarHBondContact CB-O 3.22Å; R67-P450 HydrophobicContact CG-CB 3.84Å; R67-P450 PolarHBondContact NE-O 3.01Å; W99-P450 HydrophobicContact CB-CG 4.34Å; Y101-P450 HydrophobicContact CD2-CB 3.8Å; Y101-P450 HydrophobicContact CD2-CG 3.94Å; Y101-P450 HydrophobicContact CE2-CB 3.72Å; Y101-P450 HydrophobicContact CE2-CG 3.69Å; F239-P450 WeakPolarHBondContact CZ-O 3.44Å
451D93.9Very high93.5Very high3 Ų335 Ų352%0.01616%0.159CC..THydrogen-bonded Turntrans-74.5-24.9-178.559.6-80.4000114F239 R449 M556F239-D451 WeakPolarHBondContact CE1-O 3.47Å; R449-D451 VanDerWaalsContact C-N 3.33Å; R449-D451 WeakPolarHBondContact CB-OD1 3.05Å; R449-D451 IonicContact CZ-OD1 2.79Å; R449-D451 IonicContact CZ-OD2 2.71Å; R449-D451 IonicContact NE-OD1 3.35Å; R449-D451 PolarHBondContact NE-OD1 2.9Å; R449-D451 IonicContact NE-OD2 3.84Å; R449-D451 PolarHBondContact NE-OD2 3.47Å; R449-D451 IonicContact NH2-OD2 3.58Å; R449-D451 PolarHBondContact NH2-OD2 3.5Å; D451-M556 HydrophobicContact CB-SD 3.54Å; D451-M556 VanDerWaalsContact CB-SD 3.54Å
452N95.6Very high94.5Very high16 Ų1628.9 Ų28.99%0.08614%0.139CC..THydrogen-bonded Turntrans-110.513.7-176.674.3-1.4000113.8Y447 R449 D454 V455 R456Y447-N452 PolarHBondContact O-ND2 2.83Å; Y447-N452 PolarHBondContact O-OD1 3.34Å; R449-N452 PolarHBondContact N-OD1 2.89Å; R449-N452 PolarHBondContact O-OD1 2.8Å; N452-D454 VanDerWaalsContact C-N 3.27Å; N452-D454 PolarHBondContact O-N 3.31Å; N452-V455 WeakPolarHBondContact O-CB 3.39Å; N452-V455 PolarHBondContact O-N 3.36Å; N452-R456 WeakPolarHBondContact O-CG 3.17Å; N452-R456 PolarHBondContact O-N 3.22Å; N452-R456 VanDerWaalsContact O-N 3.13Å; N452-R456 PolarHBondContact OD1-NE 3.03Å
453A97.3Very high95.1Very high0 Ų036.6 Ų36.60%017%0.174CC..Hα-helixtrans-61.1-35.3-176.900000113R67 E68 A71 F239 R456 L457R67-A453 HydrophobicContact CB-CB 3.99Å; E68-A453 HydrophobicContact CG-CB 3.9Å; A71-A453 HydrophobicContact CB-CB 4.3Å; A71-A453 WeakPolarHBondContact CB-O 3.43Å; F239-A453 HydrophobicContact CE2-CB 3.96Å; F239-A453 HydrophobicContact CZ-CB 3.96Å; A453-R456 PolarHBondContact O-N 3.23Å; A453-L457 WeakPolarHBondContact O-CB 3.41Å; A453-L457 PolarHBondContact O-N 3.12Å
454D97.5Very high95.6Very high6 Ų633.9 Ų33.93%0.03216%0.161CC..Hα-helixtrans-63.1-45.6174.257.5-14.5000112.2A71 F239 N452 R456 L457 T458 F475 R553A71-D454 HydrophobicContact CB-CB 4.46Å; F239-D454 HydrophobicContact CD1-CB 4.06Å; F239-D454 WeakPolarHBondContact CD1-OD2 3.48Å; F239-D454 HydrophobicContact CD2-CB 3.98Å; F239-D454 HydrophobicContact CE1-CB 3.95Å; F239-D454 WeakPolarHBondContact CE1-OD1 3.37Å; F239-D454 WeakPolarHBondContact CE1-OD2 3.49Å; F239-D454 HydrophobicContact CE2-CB 3.96Å; F239-D454 HydrophobicContact CG-CB 4.03Å; F239-D454 HydrophobicContact CZ-CB 3.93Å; N452-D454 VanDerWaalsContact C-N 3.27Å; N452-D454 PolarHBondContact O-N 3.31Å; D454-R456 PolarHBondContact O-N 3.28Å; D454-L457 PolarHBondContact O-N 3.06Å; D454-T458 WeakPolarHBondContact CA-OG1 3.27Å; D454-T458 WeakPolarHBondContact CB-OG1 3.49Å; D454-T458 VanDerWaalsContact O-CB 3.24Å; D454-T458 WeakPolarHBondContact O-CB 3.43Å; D454-T458 PolarHBondContact O-N 3.39Å; D454-T458 PolarHBondContact O-OG1 2.81Å; D454-F475 HydrophobicContact CB-CD2 4.1Å; D454-R553 VanDerWaalsContact CG-NH1 3.35Å; D454-R553 IonicContact OD1-CZ 2.71Å; D454-R553 IonicContact OD1-NH1 2.56Å; D454-R553 PolarHBondContact OD1-NH1 2.95Å; D454-R553 IonicContact OD2-CZ 3.6Å; D454-R553 IonicContact OD2-NH1 3.67Å; D454-R553 PolarHBondContact OD2-NH1 3.48Å; D454-R553 IonicContact OD2-NH2 2.7Å; D454-R553 PolarHBondContact OD2-NH2 3.4Å
455V96.4Very high96Very high55 Ų5534.9 Ų34.933%0.33317%0.173SC..Hα-helixtrans-57.8-37.6174.1179.50000111.9N452 F475 F479N452-V455 WeakPolarHBondContact O-CB 3.39Å; N452-V455 PolarHBondContact O-N 3.36Å; V455-F475 HydrophobicContact CG2-CE2 4.34Å; V455-F479 HydrophobicContact CG1-CD2 4.02Å; V455-F479 HydrophobicContact CG1-CE2 3.83Å; V455-F479 HydrophobicContact CG2-CD2 4.24Å
456R96.7Very high96.4Very high12 Ų1229.2 Ų29.25%0.04515%0.152CC..Hα-helixtrans-76.8-33.9-179-67.9-177.9-69.1106.3-9.2113.5E68 T416 Y447 R449 N452 A453 D454E68-R456 IonicContact OE1-CZ 3.45Å; E68-R456 IonicContact OE1-NH1 2.82Å; E68-R456 PolarHBondContact OE1-NH1 2.99Å; E68-R456 IonicContact OE1-NH2 3.46Å; E68-R456 PolarHBondContact OE1-NH2 3.25Å; T416-R456 PolarHBondContact O-NH1 3.3Å; Y447-R456 HydrophobicContact CE1-CG 4.27Å; R449-R456 PolarHBondContact O-NH2 3.33Å; N452-R456 WeakPolarHBondContact O-CG 3.17Å; N452-R456 PolarHBondContact O-N 3.22Å; N452-R456 VanDerWaalsContact O-N 3.13Å; N452-R456 PolarHBondContact OD1-NE 3.03Å; A453-R456 PolarHBondContact O-N 3.23Å; D454-R456 PolarHBondContact O-N 3.28Å
457L98.4Very high96.7Very high0 Ų027.6 Ų27.60%014%0.144CC..Hα-helixtrans-125.6-30-162-57.3-178.5000115.7E68 A71 L72 L412 A453 D454 A459 K460 G461E68-L457 HydrophobicContact CB-CD1 3.58Å; E68-L457 HydrophobicContact CG-CD1 3.64Å; A71-L457 HydrophobicContact CB-CB 3.96Å; A71-L457 HydrophobicContact CB-CD1 4.5Å; L72-L457 HydrophobicContact CD2-CB 4.03Å; L72-L457 HydrophobicContact CG-CB 4.44Å; L412-L457 HydrophobicContact CD1-CD1 4.3Å; L412-L457 HydrophobicContact CD1-CD2 4.09Å; L412-L457 HydrophobicContact CD2-CD2 3.79Å; A453-L457 WeakPolarHBondContact O-CB 3.41Å; A453-L457 PolarHBondContact O-N 3.12Å; D454-L457 PolarHBondContact O-N 3.06Å; L457-A459 PolarHBondContact O-N 3.44Å; L457-K460 PolarHBondContact O-N 2.98Å; L457-K460 VanDerWaalsContact O-N 3.16Å; L457-G461 PolarHBondContact O-N 3.27Å
458T98.6Very high97Very high1 Ų126.6 Ų26.61%0.00615%0.146CC..Hα-helixtrans-61.8-43.2-171.1-56.70000112.2A71 D454 K460 G461 F462 V467 R471 F475A71-T458 WeakPolarHBondContact O-CA 3.36Å; A71-T458 PolarHBondContact O-OG1 3.35Å; D454-T458 WeakPolarHBondContact CA-OG1 3.27Å; D454-T458 WeakPolarHBondContact CB-OG1 3.49Å; D454-T458 VanDerWaalsContact O-CB 3.24Å; D454-T458 WeakPolarHBondContact O-CB 3.43Å; D454-T458 PolarHBondContact O-N 3.39Å; D454-T458 PolarHBondContact O-OG1 2.81Å; T458-K460 VanDerWaalsContact C-N 3.35Å; T458-K460 PolarHBondContact O-N 3.48Å; T458-G461 PolarHBondContact O-N 2.89Å; T458-F462 PolarHBondContact O-N 2.9Å; T458-V467 HydrophobicContact CG2-CG1 3.89Å; T458-R471 HydrophobicContact CG2-CG 4.34Å; T458-F475 HydrophobicContact CG2-CB 3.72Å; T458-F475 HydrophobicContact CG2-CD1 3.75Å; T458-F475 HydrophobicContact CG2-CD2 4.43Å; T458-F475 HydrophobicContact CG2-CG 3.67Å
459A98Very high97.2Very high44 Ų4436.1 Ų36.136%0.36418%0.181SC..Hα-helixtrans-62.8-40.817800000112.5L457 F462 Q463 Y472 F475L457-A459 PolarHBondContact O-N 3.44Å; A459-F462 PolarHBondContact O-N 2.79Å; A459-Q463 PolarHBondContact O-N 2.86Å; A459-Y472 HydrophobicContact CB-CE2 4.4Å; A459-F475 HydrophobicContact CB-CE1 4.09Å
460K97.9Very high97.3Very high76 Ų7643.1 Ų43.133%0.3321%0.214SC..Hα-helixtrans-63.8-44176.5-61.2-177179.6-176.70111.1F410 L457 T458 F462 Q463 Q464F410-K460 HydrophobicContact CE2-CB 3.95Å; F410-K460 HydrophobicContact CZ-CB 4.21Å; L457-K460 PolarHBondContact O-N 2.98Å; L457-K460 VanDerWaalsContact O-N 3.16Å; T458-K460 VanDerWaalsContact C-N 3.35Å; T458-K460 PolarHBondContact O-N 3.48Å; K460-F462 VanDerWaalsContact C-N 3.33Å; K460-F462 PolarHBondContact O-N 3.43Å; K460-Q463 PolarHBondContact O-N 2.95Å; K460-Q464 PolarHBondContact O-N 3.39Å
461G98.3Very high97.4Very high0 Ų043.5 Ų43.50%022%0.216CC..Hα-helixtrans-63.9-37.6177.100000112.8L457 T458 Q464 G465 C466 V467L457-G461 PolarHBondContact O-N 3.27Å; T458-G461 PolarHBondContact O-N 2.89Å; G461-Q464 PolarHBondContact O-N 3.42Å; G461-G465 PolarHBondContact O-N 3.3Å; G461-C466 WeakPolarHBondContact CA-SG 3.3Å; G461-C466 PolarHBondContact O-N 3.02Å; G461-C466 PolarHBondContact O-SG 2.64Å; G461-V467 PolarHBondContact O-N 3.18Å
462F98.4Very high97.6Very high78 Ų7846.1 Ų46.134%0.34223%0.226SC..Hα-helixtrans-66.4-43.6176.1-173.7-103000111.9T458 A459 K460 Q464 G465 V467 Y472T458-F462 PolarHBondContact O-N 2.9Å; A459-F462 PolarHBondContact O-N 2.79Å; K460-F462 VanDerWaalsContact C-N 3.33Å; K460-F462 PolarHBondContact O-N 3.43Å; F462-Q464 VanDerWaalsContact C-N 3.3Å; F462-Q464 PolarHBondContact O-N 3.17Å; F462-G465 WeakPolarHBondContact O-CA 3.5Å; F462-G465 PolarHBondContact O-N 2.86Å; F462-V467 HydrophobicContact CB-CB 4.11Å; F462-V467 HydrophobicContact CB-CG1 4.29Å; F462-V467 HydrophobicContact CD2-CG1 4.43Å; F462-V467 WeakPolarHBondContact CD2-O 3Å; F462-Y472 HydrophobicContact CB-CD2 3.41Å; F462-Y472 VanDerWaalsContact CB-CD2 3.41Å; F462-Y472 HydrophobicContact CB-CE2 3.91Å; F462-Y472 HydrophobicContact CB-CG 4.02Å; F462-Y472 HydrophobicContact CD1-CD1 4.03Å; F462-Y472 AromaticContact CD1-CD2 3.78Å; F462-Y472 HydrophobicContact CD1-CD2 3.78Å; F462-Y472 HydrophobicContact CD1-CE1 4.11Å; F462-Y472 AromaticContact CD1-CE2 3.85Å; F462-Y472 HydrophobicContact CD1-CE2 3.85Å; F462-Y472 AromaticContact CD1-CG 3.86Å; F462-Y472 HydrophobicContact CD1-CG 3.86Å; F462-Y472 VanDerWaalsContact CD2-CB 3.45Å; F462-Y472 HydrophobicContact CD2-CD1 4.24Å; F462-Y472 AromaticContact CD2-CD2 3.95Å; F462-Y472 HydrophobicContact CD2-CD2 3.95Å; F462-Y472 AromaticContact CD2-CG 3.61Å; F462-Y472 HydrophobicContact CD2-CG 3.61Å; F462-Y472 AromaticContact CE1-CD1 3.99Å; F462-Y472 HydrophobicContact CE1-CD1 3.99Å; F462-Y472 HydrophobicContact CE1-CE1 4.1Å; F462-Y472 HydrophobicContact CE1-CG 4.21Å; F462-Y472 HydrophobicContact CE2-CD1 4.21Å; F462-Y472 AromaticContact CE2-CG 3.99Å; F462-Y472 HydrophobicContact CE2-CG 3.99Å; F462-Y472 HydrophobicContact CG-CD1 4.16Å; F462-Y472 AromaticContact CG-CD2 3.43Å; F462-Y472 HydrophobicContact CG-CD2 3.43Å; F462-Y472 VanDerWaalsContact CG-CD2 3.43Å; F462-Y472 AromaticContact CG-CE2 3.95Å; F462-Y472 HydrophobicContact CG-CE2 3.95Å; F462-Y472 AromaticContact CG-CG 3.54Å; F462-Y472 HydrophobicContact CG-CG 3.54Å; F462-Y472 HydrophobicContact CZ-CD1 4.08Å; F462-Y472 HydrophobicContact CZ-CG 4.27Å
463Q97.6Very high97.7Very high167 Ų16748.6 Ų48.678%0.7824%0.244SC*.Hα-helixtrans-60.7-39.2174.6-172.9-179.87.300112.2A459 K460 G465A459-Q463 PolarHBondContact O-N 2.86Å; K460-Q463 PolarHBondContact O-N 2.95Å; Q463-G465 VanDerWaalsContact C-N 3.28Å; Q463-G465 PolarHBondContact O-N 3.49Å
464Q97.8Very high97.7Very high29 Ų2951.4 Ų51.414%0.13626%0.264CS..Hα-helixtrans-68.3-30.6174.9-166.164.914.300112.3M34 I398 S402 K407 E408 F410 K460 G461 F462M34-Q464 HydrophobicContact CE-CG 4.13Å; I398-Q464 HydrophobicContact CG2-CG 3.77Å; S402-Q464 PolarHBondContact OG-NE2 3.49Å; K407-Q464 PolarHBondContact NZ-O 3.13Å; E408-Q464 PolarHBondContact O-NE2 3.04Å; F410-Q464 HydrophobicContact CB-CG 4.03Å; F410-Q464 HydrophobicContact CD2-CB 3.79Å; F410-Q464 HydrophobicContact CD2-CG 3.77Å; F410-Q464 HydrophobicContact CE2-CB 4.15Å; F410-Q464 HydrophobicContact CG-CG 4.14Å; K460-Q464 PolarHBondContact O-N 3.39Å; G461-Q464 PolarHBondContact O-N 3.42Å; F462-Q464 VanDerWaalsContact C-N 3.3Å; F462-Q464 PolarHBondContact O-N 3.17Å
465G97.6Very high97.7Very high28 Ų2851.8 Ų51.829%0.28927%0.265SS..THydrogen-bonded Turntrans101.111.4-178.900000114.4M34 G461 F462 Q463M34-G465 WeakPolarHBondContact CG-O 3.13Å; G461-G465 PolarHBondContact O-N 3.3Å; F462-G465 WeakPolarHBondContact O-CA 3.5Å; F462-G465 PolarHBondContact O-N 2.86Å; Q463-G465 VanDerWaalsContact C-N 3.28Å; Q463-G465 PolarHBondContact O-N 3.49Å
466C97.8Very high97.7Very high0 Ų054.1 Ų54.10%027%0.271CS..  trans-94.2-9.8179.767.80000114.2R33 M34 I398 G461R33-C466 WeakPolarHBondContact CD-O 3.3Å; R33-C466 PolarHBondContact NH1-O 3.21Å; M34-C466 HydrophobicContact CG-CB 3.91Å; M34-C466 HydrophobicContact SD-CB 3.99Å; I398-C466 HydrophobicContact CD1-CB 3.88Å; I398-C466 VanDerWaalsContact CD1-SG 3.52Å; I398-C466 HydrophobicContact CG1-CB 3.63Å; G461-C466 WeakPolarHBondContact CA-SG 3.3Å; G461-C466 PolarHBondContact O-N 3.02Å; G461-C466 PolarHBondContact O-SG 2.64Å
467V98.6Very high97.7Very high7 Ų756.7 Ų56.74%0.04228%0.284CS..SBendtrans-101.3131.4174.2168.70000109.5D73 T458 G461 F462 R471D73-V467 HydrophobicContact CB-CB 4.35Å; D73-V467 HydrophobicContact CB-CG1 4.5Å; D73-V467 HydrophobicContact CB-CG2 4.07Å; T458-V467 HydrophobicContact CG2-CG1 3.89Å; G461-V467 PolarHBondContact O-N 3.18Å; F462-V467 HydrophobicContact CB-CB 4.11Å; F462-V467 HydrophobicContact CB-CG1 4.29Å; F462-V467 HydrophobicContact CD2-CG1 4.43Å; F462-V467 WeakPolarHBondContact CD2-O 3Å; V467-R471 HydrophobicContact CG1-CB 4.11Å; V467-R471 HydrophobicContact CG1-CG 4.1Å
468S97.5Very high97.6Very high37 Ų3757.7 Ų57.726%0.25929%0.289SS..  trans-66.4155.6176.259.60000113D73 E470 R471 Y472D73-S468 WeakPolarHBondContact OD2-CB 3.34Å; D73-S468 PolarHBondContact OD2-N 2.66Å; D73-S468 PolarHBondContact OD2-OG 3.2Å; S468-E470 VanDerWaalsContact C-N 3.3Å; S468-E470 PolarHBondContact O-N 2.49Å; S468-R471 PolarHBondContact O-N 3.32Å; S468-R471 PolarHBondContact OG-N 2.92Å; S468-Y472 WeakPolarHBondContact O-CB 3.45Å; S468-Y472 PolarHBondContact O-N 3.01Å
469R97.7Very high97.5Very high199 Ų19960.2 Ų60.275%0.75130%0.299SS*.Hα-helixtrans-61.6-38.6177.1-170.2172.8-176.4174.60.7112.4Y472 S473R469-Y472 PolarHBondContact O-N 2.82Å; R469-S473 WeakPolarHBondContact O-CB 3.43Å; R469-S473 PolarHBondContact O-N 3.09Å; R469-S473 PolarHBondContact O-OG 3.38Å
470E96.9Very high97.4Very high148 Ų14859 Ų5969%0.69229%0.287SS*.Hα-helixtrans-58.9-52.9177.3-178.8-177.6179.200111.5M240 S468 Y472 S473 S474M240-E470 HydrophobicContact CE-CG 4.14Å; S468-E470 VanDerWaalsContact C-N 3.3Å; S468-E470 PolarHBondContact O-N 2.49Å; E470-Y472 VanDerWaalsContact C-N 3.35Å; E470-Y472 PolarHBondContact O-N 3.15Å; E470-S473 PolarHBondContact O-N 3.08Å; E470-S474 PolarHBondContact O-N 2.97Å
471R97.4Very high97.3Very high7 Ų755.6 Ų55.63%0.02627%0.273CS..Hα-helixtrans-61-44.2177178.3175.8-66.5-95.511.5111.9D70 D73 M240 T458 V467 S468 S473 S474 F475D70-R471 VanDerWaalsContact CG-NH1 3.28Å; D70-R471 PolarHBondContact O-NH1 3.16Å; D70-R471 IonicContact OD1-CZ 3.12Å; D70-R471 IonicContact OD1-NH1 3.6Å; D70-R471 PolarHBondContact OD1-NH1 3.17Å; D70-R471 IonicContact OD1-NH2 2.87Å; D70-R471 PolarHBondContact OD1-NH2 3.32Å; D70-R471 IonicContact OD2-CZ 3.81Å; D70-R471 IonicContact OD2-NH1 2.7Å; D70-R471 PolarHBondContact OD2-NH1 3.15Å; D70-R471 IonicContact OD2-NH2 3.57Å; D73-R471 VanDerWaalsContact CG-NE 3.27Å; D73-R471 IonicContact OD1-CZ 3.33Å; D73-R471 IonicContact OD1-NE 2.73Å; D73-R471 PolarHBondContact OD1-NE 2.71Å; D73-R471 IonicContact OD1-NH2 3Å; D73-R471 PolarHBondContact OD1-NH2 3.04Å; M240-R471 HydrophobicContact CE-CB 4.43Å; M240-R471 VanDerWaalsContact CG-CZ 3.44Å; M240-R471 HydrophobicContact SD-CB 3.95Å; M240-R471 HydrophobicContact SD-CG 3.83Å; T458-R471 HydrophobicContact CG2-CG 4.34Å; V467-R471 HydrophobicContact CG1-CB 4.11Å; V467-R471 HydrophobicContact CG1-CG 4.1Å; S468-R471 PolarHBondContact O-N 3.32Å; S468-R471 PolarHBondContact OG-N 2.92Å; R471-S473 VanDerWaalsContact C-N 3.32Å; R471-S473 PolarHBondContact O-N 3.34Å; R471-S474 PolarHBondContact O-N 3.44Å; R471-F475 WeakPolarHBondContact O-CB 3.22Å; R471-F475 PolarHBondContact O-N 3.15Å
472Y98.4Very high97.2Very high59 Ų5956.1 Ų56.123%0.23128%0.276CS..Hα-helixtrans-61.2-41.7178.7-176.2-100.1000111.9A459 F462 S468 R469 E470 F475 F476A459-Y472 HydrophobicContact CB-CE2 4.4Å; F462-Y472 HydrophobicContact CB-CD2 3.41Å; F462-Y472 VanDerWaalsContact CB-CD2 3.41Å; F462-Y472 HydrophobicContact CB-CE2 3.91Å; F462-Y472 HydrophobicContact CB-CG 4.02Å; F462-Y472 HydrophobicContact CD1-CD1 4.03Å; F462-Y472 AromaticContact CD1-CD2 3.78Å; F462-Y472 HydrophobicContact CD1-CD2 3.78Å; F462-Y472 HydrophobicContact CD1-CE1 4.11Å; F462-Y472 AromaticContact CD1-CE2 3.85Å; F462-Y472 HydrophobicContact CD1-CE2 3.85Å; F462-Y472 AromaticContact CD1-CG 3.86Å; F462-Y472 HydrophobicContact CD1-CG 3.86Å; F462-Y472 VanDerWaalsContact CD2-CB 3.45Å; F462-Y472 HydrophobicContact CD2-CD1 4.24Å; F462-Y472 AromaticContact CD2-CD2 3.95Å; F462-Y472 HydrophobicContact CD2-CD2 3.95Å; F462-Y472 AromaticContact CD2-CG 3.61Å; F462-Y472 HydrophobicContact CD2-CG 3.61Å; F462-Y472 AromaticContact CE1-CD1 3.99Å; F462-Y472 HydrophobicContact CE1-CD1 3.99Å; F462-Y472 HydrophobicContact CE1-CE1 4.1Å; F462-Y472 HydrophobicContact CE1-CG 4.21Å; F462-Y472 HydrophobicContact CE2-CD1 4.21Å; F462-Y472 AromaticContact CE2-CG 3.99Å; F462-Y472 HydrophobicContact CE2-CG 3.99Å; F462-Y472 HydrophobicContact CG-CD1 4.16Å; F462-Y472 AromaticContact CG-CD2 3.43Å; F462-Y472 HydrophobicContact CG-CD2 3.43Å; F462-Y472 VanDerWaalsContact CG-CD2 3.43Å; F462-Y472 AromaticContact CG-CE2 3.95Å; F462-Y472 HydrophobicContact CG-CE2 3.95Å; F462-Y472 AromaticContact CG-CG 3.54Å; F462-Y472 HydrophobicContact CG-CG 3.54Å; F462-Y472 HydrophobicContact CZ-CD1 4.08Å; F462-Y472 HydrophobicContact CZ-CG 4.27Å; S468-Y472 WeakPolarHBondContact O-CB 3.45Å; S468-Y472 PolarHBondContact O-N 3.01Å; R469-Y472 PolarHBondContact O-N 2.82Å; E470-Y472 VanDerWaalsContact C-N 3.35Å; E470-Y472 PolarHBondContact O-N 3.15Å; Y472-F475 HydrophobicContact CD2-CD1 4.09Å; Y472-F475 HydrophobicContact CE2-CD1 4.15Å; Y472-F475 HydrophobicContact CE2-CE1 4.26Å; Y472-F475 PolarHBondContact O-N 3.07Å; Y472-F476 HydrophobicContact CE1-CB 4.4Å; Y472-F476 HydrophobicContact CE1-CD2 4.48Å; Y472-F476 VanDerWaalsContact O-CB 3.23Å; Y472-F476 WeakPolarHBondContact O-CB 3.39Å; Y472-F476 PolarHBondContact O-N 3.35Å
473S97.6Very high97.1Very high67 Ų6757.6 Ų57.647%0.46928%0.284SS..Hα-helixtrans-61.9-45.3175.2-72.60000112.3R469 E470 R471 F476 Q477R469-S473 WeakPolarHBondContact O-CB 3.43Å; R469-S473 PolarHBondContact O-N 3.09Å; R469-S473 PolarHBondContact O-OG 3.38Å; E470-S473 PolarHBondContact O-N 3.08Å; R471-S473 VanDerWaalsContact C-N 3.32Å; R471-S473 PolarHBondContact O-N 3.34Å; S473-F476 PolarHBondContact O-N 2.63Å; S473-Q477 PolarHBondContact O-N 2.82Å; S473-Q477 VanDerWaalsContact O-N 3.08Å
474S96.2Very high97Very high59 Ų5956.7 Ų56.741%0.41327%0.273SS..Hα-helixtrans-60.2-46.3175.7-173.70000111.8E470 R471 M478E470-S474 PolarHBondContact O-N 2.97Å; R471-S474 PolarHBondContact O-N 3.44Å; S474-M478 PolarHBondContact O-N 3.48Å
475F97.2Very high97Very high15 Ų1555.3 Ų55.37%0.06627%0.267CS..Hα-helixtrans-60.5-48.3175.3158.7-106.8000112.1D454 V455 T458 A459 R471 Y472 Q477 M478 F479D454-F475 HydrophobicContact CB-CD2 4.1Å; V455-F475 HydrophobicContact CG2-CE2 4.34Å; T458-F475 HydrophobicContact CG2-CB 3.72Å; T458-F475 HydrophobicContact CG2-CD1 3.75Å; T458-F475 HydrophobicContact CG2-CD2 4.43Å; T458-F475 HydrophobicContact CG2-CG 3.67Å; A459-F475 HydrophobicContact CB-CE1 4.09Å; R471-F475 WeakPolarHBondContact O-CB 3.22Å; R471-F475 PolarHBondContact O-N 3.15Å; Y472-F475 HydrophobicContact CD2-CD1 4.09Å; Y472-F475 HydrophobicContact CE2-CD1 4.15Å; Y472-F475 HydrophobicContact CE2-CE1 4.26Å; Y472-F475 PolarHBondContact O-N 3.07Å; F475-Q477 VanDerWaalsContact C-N 3.29Å; F475-Q477 PolarHBondContact O-N 2.82Å; F475-M478 PolarHBondContact O-N 3.41Å; F475-F479 HydrophobicContact CD2-CB 4.34Å; F475-F479 HydrophobicContact CE2-CB 3.79Å; F475-F479 HydrophobicContact CE2-CD2 4.14Å; F475-F479 HydrophobicContact CE2-CG 4.15Å; F475-F479 HydrophobicContact CZ-CB 3.91Å; F475-F479 HydrophobicContact CZ-CD2 4.06Å; F475-F479 AromaticContact CZ-CG 3.93Å; F475-F479 HydrophobicContact CZ-CG 3.93Å; F475-F479 VanDerWaalsContact O-CB 3.28Å; F475-F479 WeakPolarHBondContact O-CB 3.28Å; F475-F479 PolarHBondContact O-N 3.41Å
476F97.4Very high96.9Very high103 Ų10354.8 Ų54.845%0.45226%0.258SS..Hα-helixtrans-63.8-36.8-175-174.5-98.9000111.8Y472 S473 T480Y472-F476 HydrophobicContact CE1-CB 4.4Å; Y472-F476 HydrophobicContact CE1-CD2 4.48Å; Y472-F476 VanDerWaalsContact O-CB 3.23Å; Y472-F476 WeakPolarHBondContact O-CB 3.39Å; Y472-F476 PolarHBondContact O-N 3.35Å; S473-F476 PolarHBondContact O-N 2.63Å; F476-T480 VanDerWaalsContact O-CB 3.29Å; F476-T480 WeakPolarHBondContact O-CB 3.24Å; F476-T480 PolarHBondContact O-N 3.18Å; F476-T480 PolarHBondContact O-OG1 3.43Å
477Q96.1Very high96.8Very high67 Ų6761.7 Ų61.731%0.31329%0.29SS..Hα-helixtrans-62.8-52.3173.9-172.16161.900111.2S473 F475 F479 T480 D481 N544 T545S473-Q477 PolarHBondContact O-N 2.82Å; S473-Q477 VanDerWaalsContact O-N 3.08Å; F475-Q477 VanDerWaalsContact C-N 3.29Å; F475-Q477 PolarHBondContact O-N 2.82Å; Q477-F479 PolarHBondContact O-N 2.87Å; Q477-T480 PolarHBondContact O-N 3.38Å; Q477-D481 PolarHBondContact NE2-OD1 2.74Å; Q477-D481 PolarHBondContact O-N 3Å; Q477-N544 HydrophobicContact CG-CB 4.18Å; Q477-N544 PolarHBondContact NE2-ND2 2.84Å; Q477-T545 HydrophobicContact CB-CG2 4.42Å; Q477-T545 HydrophobicContact CG-CG2 3.84Å
478M95.7Very high96.8Very high20 Ų2062 Ų6210%0.09929%0.293CS..Hα-helixtrans-59-45.6177.3177.558.275.400112S474 F475 T480 D481 L482 T545 E549 L550S474-M478 PolarHBondContact O-N 3.48Å; F475-M478 PolarHBondContact O-N 3.41Å; M478-T480 PolarHBondContact O-N 3.07Å; M478-D481 PolarHBondContact O-N 2.79Å; M478-L482 HydrophobicContact CG-CD1 4.33Å; M478-L482 WeakPolarHBondContact O-CB 3.43Å; M478-L482 PolarHBondContact O-N 3.19Å; M478-L482 HydrophobicContact SD-CD1 4.36Å; M478-T545 HydrophobicContact CB-CG2 4.03Å; M478-T545 HydrophobicContact CE-CG2 3.93Å; M478-T545 HydrophobicContact SD-CG2 4.2Å; M478-E549 HydrophobicContact CE-CB 4.19Å; M478-E549 HydrophobicContact CE-CG 3.75Å; M478-L550 HydrophobicContact SD-CD1 4.28Å
479F96.5Very high96.7Very high54 Ų5460.2 Ų60.224%0.23728%0.281CS..Hα-helixtrans-61.7-44179.3179.5-102.9000112.3V455 F475 Q477 L482 Q483V455-F479 HydrophobicContact CG1-CD2 4.02Å; V455-F479 HydrophobicContact CG1-CE2 3.83Å; V455-F479 HydrophobicContact CG2-CD2 4.24Å; F475-F479 HydrophobicContact CD2-CB 4.34Å; F475-F479 HydrophobicContact CE2-CB 3.79Å; F475-F479 HydrophobicContact CE2-CD2 4.14Å; F475-F479 HydrophobicContact CE2-CG 4.15Å; F475-F479 HydrophobicContact CZ-CB 3.91Å; F475-F479 HydrophobicContact CZ-CD2 4.06Å; F475-F479 AromaticContact CZ-CG 3.93Å; F475-F479 HydrophobicContact CZ-CG 3.93Å; F475-F479 VanDerWaalsContact O-CB 3.28Å; F475-F479 WeakPolarHBondContact O-CB 3.28Å; F475-F479 PolarHBondContact O-N 3.41Å; Q477-F479 PolarHBondContact O-N 2.87Å; F479-L482 WeakPolarHBondContact O-CB 3.35Å; F479-L482 PolarHBondContact O-N 2.65Å; F479-Q483 VanDerWaalsContact CE1-CD 3.42Å; F479-Q483 HydrophobicContact CE1-CG 4.25Å; F479-Q483 HydrophobicContact CE2-CG 4.36Å; F479-Q483 VanDerWaalsContact CZ-CD 3.44Å; F479-Q483 HydrophobicContact CZ-CG 4.14Å; F479-Q483 WeakPolarHBondContact O-CG 2.86Å; F479-Q483 PolarHBondContact O-N 2.73Å
480T96.8Very high96.6Very high18 Ų1856.1 Ų56.111%0.1127%0.265CS..Hα-helixtrans-65.8-44.7178.9-59.40000111.5F476 Q477 M478 Q483 R484F476-T480 VanDerWaalsContact O-CB 3.29Å; F476-T480 WeakPolarHBondContact O-CB 3.24Å; F476-T480 PolarHBondContact O-N 3.18Å; F476-T480 PolarHBondContact O-OG1 3.43Å; Q477-T480 PolarHBondContact O-N 3.38Å; M478-T480 PolarHBondContact O-N 3.07Å; T480-Q483 PolarHBondContact O-N 3.21Å; T480-R484 HydrophobicContact CG2-CG 4.44Å; T480-R484 VanDerWaalsContact CG2-CZ 3.44Å; T480-R484 WeakPolarHBondContact O-CG 3.46Å; T480-R484 PolarHBondContact O-N 2.99Å
481D96.3Very high96.6Very high5 Ų553.2 Ų53.23%0.02726%0.261CS..Hα-helixtrans-63-43.2177-71.62.9000110.7Q477 M478 Q483 M485 N544 T545 L550Q477-D481 PolarHBondContact NE2-OD1 2.74Å; Q477-D481 PolarHBondContact O-N 3Å; M478-D481 PolarHBondContact O-N 2.79Å; D481-Q483 PolarHBondContact O-N 3.17Å; D481-M485 WeakPolarHBondContact O-CB 3.43Å; D481-M485 PolarHBondContact O-N 3.36Å; D481-N544 PolarHBondContact OD2-N 2.79Å; D481-T545 HydrophobicContact CB-CG2 4.48Å; D481-T545 WeakPolarHBondContact OD2-CB 3.4Å; D481-T545 WeakPolarHBondContact OD2-CG2 3.37Å; D481-T545 PolarHBondContact OD2-N 3.21Å; D481-T545 PolarHBondContact OD2-OG1 3.13Å; D481-L550 HydrophobicContact CB-CD1 4.28Å; D481-L550 HydrophobicContact CB-CD2 4.48Å
482L96.1Very high96.6Very high12 Ų1253.2 Ų53.26%0.06326%0.262CS..Hα-helixtrans-54.8-50.7173.8-111161.7000112M478 F479 T486 L550 R553 I554M478-L482 HydrophobicContact CG-CD1 4.33Å; M478-L482 WeakPolarHBondContact O-CB 3.43Å; M478-L482 PolarHBondContact O-N 3.19Å; M478-L482 HydrophobicContact SD-CD1 4.36Å; F479-L482 WeakPolarHBondContact O-CB 3.35Å; F479-L482 PolarHBondContact O-N 2.65Å; L482-T486 WeakPolarHBondContact O-CB 3.39Å; L482-T486 PolarHBondContact O-N 3.21Å; L482-T486 PolarHBondContact O-OG1 3Å; L482-L550 HydrophobicContact CB-CD1 4.34Å; L482-L550 HydrophobicContact CG-CD1 3.9Å; L482-R553 HydrophobicContact CD1-CB 4.1Å; L482-R553 HydrophobicContact CD2-CB 4.15Å; L482-R553 HydrophobicContact CG-CB 4.46Å; L482-I554 HydrophobicContact CD2-CG1 3.73Å
483Q95.7Very high96.5Very high109 Ų10953 Ų5351%0.50927%0.267SS..Hα-helixtrans-64.2-52-178.1-75.2-168.8-37.100111.9F479 T480 D481 M485 T486 E487F479-Q483 VanDerWaalsContact CE1-CD 3.42Å; F479-Q483 HydrophobicContact CE1-CG 4.25Å; F479-Q483 HydrophobicContact CE2-CG 4.36Å; F479-Q483 VanDerWaalsContact CZ-CD 3.44Å; F479-Q483 HydrophobicContact CZ-CG 4.14Å; F479-Q483 WeakPolarHBondContact O-CG 2.86Å; F479-Q483 PolarHBondContact O-N 2.73Å; T480-Q483 PolarHBondContact O-N 3.21Å; D481-Q483 PolarHBondContact O-N 3.17Å; Q483-M485 PolarHBondContact O-N 2.8Å; Q483-T486 PolarHBondContact O-N 2.93Å; Q483-E487 WeakPolarHBondContact O-CB 3.44Å; Q483-E487 PolarHBondContact O-N 2.96Å
484R96.5Very high96.3Very high148 Ų14851.8 Ų51.856%0.55825%0.254SS*.Hα-helixtrans-62.2-46.2-178-70.3178.5-175.5167.42.6111.8T480 E487 A488 P541T480-R484 HydrophobicContact CG2-CG 4.44Å; T480-R484 VanDerWaalsContact CG2-CZ 3.44Å; T480-R484 WeakPolarHBondContact O-CG 3.46Å; T480-R484 PolarHBondContact O-N 2.99Å; R484-E487 PolarHBondContact O-N 3.31Å; R484-A488 WeakPolarHBondContact O-CB 3.43Å; R484-A488 PolarHBondContact O-N 2.8Å; R484-P541 HydrophobicContact CB-CG 4.26Å
485M96.9Very high96.2Very high0 Ų050.6 Ų50.60%025%0.245CC..Hα-helixtrans-66.4-42.7179.8-174.858.176.200111.1D481 Q483 E487 A488 L489 L529 M533 L540 P541 V543 I554D481-M485 WeakPolarHBondContact O-CB 3.43Å; D481-M485 PolarHBondContact O-N 3.36Å; Q483-M485 PolarHBondContact O-N 2.8Å; M485-E487 PolarHBondContact O-N 3.27Å; M485-A488 PolarHBondContact O-N 2.95Å; M485-L489 HydrophobicContact CG-CD1 3.86Å; M485-L489 HydrophobicContact CG-CG 4.21Å; M485-L489 WeakPolarHBondContact O-CB 3.33Å; M485-L489 WeakPolarHBondContact O-CG 3.38Å; M485-L489 PolarHBondContact O-N 3.38Å; M485-L489 HydrophobicContact SD-CD1 4.29Å; M485-L489 HydrophobicContact SD-CG 4.07Å; M485-L529 HydrophobicContact CG-CD1 4.17Å; M485-L529 HydrophobicContact CG-CD2 4.38Å; M485-L529 HydrophobicContact SD-CD1 3.99Å; M485-M533 HydrophobicContact CE-CE 4.11Å; M485-M533 HydrophobicContact CE-CG 4.29Å; M485-M533 HydrophobicContact CE-SD 3.82Å; M485-L540 HydrophobicContact SD-CB 4.31Å; M485-L540 HydrophobicContact SD-CD2 4.34Å; M485-P541 HydrophobicContact CE-CG 4.11Å; M485-P541 WeakPolarHBondContact CE-O 3.39Å; M485-P541 HydrophobicContact SD-CG 4.43Å; M485-V543 HydrophobicContact CE-CG1 3.52Å; M485-I554 HydrophobicContact CB-CD1 3.96Å; M485-I554 HydrophobicContact CG-CD1 3.53Å
486T95.7Very high95.8Very high16 Ų1651.6 Ų51.610%0.09825%0.249CC..Hα-helixtrans-62.2-42.5177.8-62.30000112L482 Q483 R490 F519L482-T486 WeakPolarHBondContact O-CB 3.39Å; L482-T486 PolarHBondContact O-N 3.21Å; L482-T486 PolarHBondContact O-OG1 3Å; Q483-T486 PolarHBondContact O-N 2.93Å; T486-R490 WeakPolarHBondContact O-CG 3.5Å; T486-R490 PolarHBondContact O-N 3.26Å; T486-R490 VanDerWaalsContact O-N 3.1Å; T486-F519 HydrophobicContact CG2-CD2 3.95Å; T486-F519 HydrophobicContact CG2-CE2 3.64Å; T486-F519 HydrophobicContact CG2-CZ 4.38Å
487E96.5Very high95.4Very high146 Ų14652.7 Ų52.768%0.68226%0.255SS*.Hα-helixtrans-65.1-43.6177-173.3166.3-160.400111.9Q483 R484 M485 R490 S491Q483-E487 WeakPolarHBondContact O-CB 3.44Å; Q483-E487 PolarHBondContact O-N 2.96Å; R484-E487 PolarHBondContact O-N 3.31Å; M485-E487 PolarHBondContact O-N 3.27Å; E487-R490 PolarHBondContact O-N 2.93Å; E487-S491 PolarHBondContact O-N 2.74Å; E487-S491 VanDerWaalsContact O-N 3.13Å
488A97.2Very high95.2Very high12 Ų1253.1 Ų53.110%0.09926%0.257CS..Hα-helixtrans-64-43.717600000112.5R484 M485 R490 S491 V492 L540 P541R484-A488 WeakPolarHBondContact O-CB 3.43Å; R484-A488 PolarHBondContact O-N 2.8Å; M485-A488 PolarHBondContact O-N 2.95Å; A488-R490 PolarHBondContact O-N 3.37Å; A488-S491 PolarHBondContact O-N 2.78Å; A488-S491 VanDerWaalsContact O-N 3.14Å; A488-S491 PolarHBondContact O-OG 3.1Å; A488-V492 PolarHBondContact O-N 2.86Å; A488-L540 HydrophobicContact CB-CD2 3.75Å; A488-P541 HydrophobicContact CB-CG 4.44Å
489L96.7Very high95.2Very high0 Ų052.1 Ų52.10%025%0.252CS..Hα-helixtrans-62.8-31176.3-73.5171.3000112.6M485 A518 F519 L522 L529 L532 L540 I554M485-L489 HydrophobicContact CG-CD1 3.86Å; M485-L489 HydrophobicContact CG-CG 4.21Å; M485-L489 WeakPolarHBondContact O-CB 3.33Å; M485-L489 WeakPolarHBondContact O-CG 3.38Å; M485-L489 PolarHBondContact O-N 3.38Å; M485-L489 HydrophobicContact SD-CD1 4.29Å; M485-L489 HydrophobicContact SD-CG 4.07Å; L489-A518 HydrophobicContact CB-CB 4.35Å; L489-A518 HydrophobicContact CD2-CB 3.67Å; L489-A518 WeakPolarHBondContact O-CB 3.39Å; L489-A518 PolarHBondContact O-N 2.9Å; L489-A518 VanDerWaalsContact O-N 3.08Å; L489-F519 HydrophobicContact CB-CB 3.81Å; L489-F519 HydrophobicContact CB-CD2 4.42Å; L489-F519 PolarHBondContact O-N 3.08Å; L489-L522 HydrophobicContact CD1-CD1 4.36Å; L489-L529 HydrophobicContact CD1-CD1 3.99Å; L489-L529 HydrophobicContact CD2-CD1 4.11Å; L489-L532 HydrophobicContact CD2-CB 4.5Å; L489-L532 HydrophobicContact CD2-CD1 3.96Å; L489-L540 HydrophobicContact CD2-CD1 3.9Å; L489-L540 HydrophobicContact CD2-CD2 3.92Å; L489-L540 HydrophobicContact CG-CD2 4.21Å; L489-I554 HydrophobicContact CD1-CD1 4.16Å; L489-I554 HydrophobicContact CD1-CG2 3.8Å
490R95.5Very high94.9Very high113 Ų11352.5 Ų52.543%0.42626%0.255SS..Hα-helixtrans-75-29.7175.5-77.4175.9172.61592.2113T486 E487 A488 F519 E561T486-R490 WeakPolarHBondContact O-CG 3.5Å; T486-R490 PolarHBondContact O-N 3.26Å; T486-R490 VanDerWaalsContact O-N 3.1Å; E487-R490 PolarHBondContact O-N 2.93Å; A488-R490 PolarHBondContact O-N 3.37Å; R490-F519 HydrophobicContact CG-CB 3.87Å; R490-F519 HydrophobicContact CG-CD1 4.37Å; R490-F519 HydrophobicContact CG-CG 4.02Å; R490-E561 IonicContact CZ-OE1 3.34Å; R490-E561 IonicContact CZ-OE2 2.73Å; R490-E561 IonicContact NE-OE1 2.77Å; R490-E561 IonicContact NE-OE2 3.18Å; R490-E561 IonicContact NH2-OE1 3.45Å; R490-E561 PolarHBondContact NH2-OE1 3.29Å; R490-E561 IonicContact NH2-OE2 2.75Å; R490-E561 PolarHBondContact NH2-OE2 2.75Å
491S96.4Very high94.8Very high87 Ų8755.5 Ų55.561%0.60828%0.276SS*.Hα-helixtrans-77.4-29.1-179.474.30000112.6E487 A488 V493E487-S491 PolarHBondContact O-N 2.74Å; E487-S491 VanDerWaalsContact O-N 3.13Å; A488-S491 PolarHBondContact O-N 2.78Å; A488-S491 VanDerWaalsContact O-N 3.14Å; A488-S491 PolarHBondContact O-OG 3.1Å; S491-V493 PolarHBondContact O-N 2.95Å; S491-V493 VanDerWaalsContact O-N 3.15Å
492V96.5Very high94.7Very high8 Ų858.5 Ų58.55%0.04829%0.291CS..  trans-76.9100.3175.1179.10000109.8A488 W499 S517 A518 F536 E539 L540A488-V492 PolarHBondContact O-N 2.86Å; V492-W499 HydrophobicContact CG1-CH2 4.14Å; V492-W499 HydrophobicContact CG1-CZ2 4.31Å; V492-S517 CarbonylContact O-C 3.42Å; V492-S517 WeakPolarHBondContact O-CA 3.48Å; V492-A518 HydrophobicContact CB-CB 4.01Å; V492-A518 HydrophobicContact CG1-CB 4.16Å; V492-A518 PolarHBondContact O-N 2.94Å; V492-F536 HydrophobicContact CG1-CD1 3.86Å; V492-F536 HydrophobicContact CG1-CD2 3.89Å; V492-F536 HydrophobicContact CG1-CE1 3.67Å; V492-F536 HydrophobicContact CG1-CE2 3.72Å; V492-F536 HydrophobicContact CG1-CG 3.94Å; V492-F536 HydrophobicContact CG1-CZ 3.58Å; V492-F536 HydrophobicContact CG2-CG 4.49Å; V492-E539 HydrophobicContact CG2-CB 3.79Å; V492-E539 HydrophobicContact CG2-CG 4.34Å; V492-L540 HydrophobicContact CG2-CD2 4.23Å
493V96.3Very high94.6Very high53 Ų5358 Ų5832%0.32129%0.288SS..EExtended strand (participates in β ladder)trans-121.4117.5-179.7-177.30000110.6S491 R515S491-V493 PolarHBondContact O-N 2.95Å; S491-V493 VanDerWaalsContact O-N 3.15Å; V493-R515 HydrophobicContact CG1-CB 3.83Å; V493-R515 PolarHBondContact O-NH2 3.45Å
494Q94.5Very high94.3Very high42 Ų4257.3 Ų57.320%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-117.9157175.4-55.8-64.3-17.900111.4Q498 W499 L502 R515 Y516 F536Q494-Q498 HydrophobicContact CB-CB 3.87Å; Q494-Q498 HydrophobicContact CG-CB 4.5Å; Q494-Q498 VanDerWaalsContact OE1-CD 3.24Å; Q494-W499 HydrophobicContact CB-CD2 4.06Å; Q494-W499 HydrophobicContact CB-CG 4.09Å; Q494-W499 HydrophobicContact CB-CZ2 4.21Å; Q494-W499 HydrophobicContact CG-CD2 4.42Å; Q494-W499 HydrophobicContact CG-CZ2 4.08Å; Q494-L502 HydrophobicContact CG-CD1 4.18Å; Q494-R515 CarbonylContact O-C 3.59Å; Q494-R515 WeakPolarHBondContact O-CA 3.11Å; Q494-Y516 PolarHBondContact N-O 3.4Å; Q494-Y516 VanDerWaalsContact N-O 3.11Å; Q494-Y516 PolarHBondContact O-N 3.46Å; Q494-F536 HydrophobicContact CG-CZ 4Å
495S92.9Very high94.1Very high34 Ų3456 Ų5624%0.23829%0.294CS..EExtended strand (participates in β ladder)trans-68.4156.6164.166.60000110.1H497 Q498 W499S495-H497 VanDerWaalsContact C-N 3.28Å; S495-H497 PolarHBondContact O-N 2.94Å; S495-Q498 WeakPolarHBondContact O-CB 3.18Å; S495-Q498 PolarHBondContact O-N 3.27Å; S495-Q498 VanDerWaalsContact O-N 3.08Å; S495-Q498 VanDerWaalsContact OG-CD 3.3Å; S495-Q498 VanDerWaalsContact OG-CG 3.29Å; S495-Q498 WeakPolarHBondContact OG-CG 3.42Å; S495-Q498 PolarHBondContact OG-N 3.02Å; S495-Q498 PolarHBondContact OG-OE1 3.34Å; S495-W499 PolarHBondContact O-N 3.02Å
496R88.5Confident93.5Very high36 Ų3656.6 Ų56.614%0.13630%0.3CS..Hα-helixtrans-54.7-42.4177.6179.9170.2149.8-132.8-26.3113.7Q498 W499 E500 F508 G509 T510 A512 G514 Y516R496-Q498 VanDerWaalsContact C-N 3.29Å; R496-Q498 PolarHBondContact O-N 3.03Å; R496-W499 WeakPolarHBondContact O-CB 3.33Å; R496-W499 PolarHBondContact O-N 3.34Å; R496-W499 VanDerWaalsContact O-N 3.13Å; R496-E500 IonicContact CZ-OE1 3.3Å; R496-E500 VanDerWaalsContact CZ-OE1 3.3Å; R496-E500 IonicContact NE-OE1 2.88Å; R496-E500 PolarHBondContact NE-OE1 3.38Å; R496-E500 IonicContact NH2-OE1 3.09Å; R496-E500 PolarHBondContact NH2-OE1 3.45Å; R496-E500 PolarHBondContact O-N 3.36Å; R496-F508 WeakPolarHBondContact CD-O 3.42Å; R496-F508 HydrophobicContact CG-CB 3.89Å; R496-F508 PolarHBondContact NE-O 3.44Å; R496-G509 VanDerWaalsContact CZ-C 3.49Å; R496-G509 PolarHBondContact NE-O 3.03Å; R496-G509 PolarHBondContact NH2-O 3.11Å; R496-T510 VanDerWaalsContact NH1-CA 3.25Å; R496-T510 PolarHBondContact NH1-O 3.36Å; R496-A512 PolarHBondContact NH1-O 2.88Å; R496-G514 PolarHBondContact N-O 3.19Å; R496-Y516 HydrophobicContact CB-CD2 4.48Å; R496-Y516 HydrophobicContact CB-CE2 4.29Å
497H89.1Confident93.1Very high127 Ų12762.3 Ų62.359%0.58833%0.33SS*.Hα-helixtrans-62-39.4178-179.858.1000112S495 W499 E500 C501S495-H497 VanDerWaalsContact C-N 3.28Å; S495-H497 PolarHBondContact O-N 2.94Å; H497-W499 VanDerWaalsContact C-N 3.34Å; H497-E500 PolarHBondContact O-N 3.18Å; H497-C501 PolarHBondContact O-N 3.29Å; H497-C501 PolarHBondContact O-SG 3.03Å
498Q93.6Very high92.5Very high75 Ų7555.7 Ų55.735%0.3530%0.299SS..Hα-helixtrans-64.7-40.4174.7-72.5167.1-54.200111.3Q494 S495 R496 C501 L502Q494-Q498 HydrophobicContact CB-CB 3.87Å; Q494-Q498 HydrophobicContact CG-CB 4.5Å; Q494-Q498 VanDerWaalsContact OE1-CD 3.24Å; S495-Q498 WeakPolarHBondContact O-CB 3.18Å; S495-Q498 PolarHBondContact O-N 3.27Å; S495-Q498 VanDerWaalsContact O-N 3.08Å; S495-Q498 VanDerWaalsContact OG-CD 3.3Å; S495-Q498 VanDerWaalsContact OG-CG 3.29Å; S495-Q498 WeakPolarHBondContact OG-CG 3.42Å; S495-Q498 PolarHBondContact OG-N 3.02Å; S495-Q498 PolarHBondContact OG-OE1 3.34Å; R496-Q498 VanDerWaalsContact C-N 3.29Å; R496-Q498 PolarHBondContact O-N 3.03Å; Q498-C501 PolarHBondContact O-N 2.9Å; Q498-L502 WeakPolarHBondContact O-CB 3.43Å; Q498-L502 WeakPolarHBondContact O-CD1 3.28Å; Q498-L502 WeakPolarHBondContact O-CG 3.39Å; Q498-L502 PolarHBondContact O-N 3.16Å
499W93.9Very high91.6Very high0 Ų056.9 Ų56.90%031%0.312CS..Hα-helixtrans-60.7-45.5173.8-79123.3000112.7V492 Q494 S495 R496 H497 C501 L502 I503 F508 Y516 A518 V521 L532 F536V492-W499 HydrophobicContact CG1-CH2 4.14Å; V492-W499 HydrophobicContact CG1-CZ2 4.31Å; Q494-W499 HydrophobicContact CB-CD2 4.06Å; Q494-W499 HydrophobicContact CB-CG 4.09Å; Q494-W499 HydrophobicContact CB-CZ2 4.21Å; Q494-W499 HydrophobicContact CG-CD2 4.42Å; Q494-W499 HydrophobicContact CG-CZ2 4.08Å; S495-W499 PolarHBondContact O-N 3.02Å; R496-W499 WeakPolarHBondContact O-CB 3.33Å; R496-W499 PolarHBondContact O-N 3.34Å; R496-W499 VanDerWaalsContact O-N 3.13Å; H497-W499 VanDerWaalsContact C-N 3.34Å; W499-C501 VanDerWaalsContact C-N 3.29Å; W499-C501 PolarHBondContact O-N 2.85Å; W499-L502 PolarHBondContact O-N 3.36Å; W499-I503 HydrophobicContact CE3-CD1 3.94Å; W499-I503 HydrophobicContact CE3-CG1 4.42Å; W499-I503 HydrophobicContact CZ3-CD1 3.88Å; W499-I503 PolarHBondContact O-N 3.21Å; W499-F508 HydrophobicContact CB-CD1 4.1Å; W499-F508 HydrophobicContact CB-CD2 4.48Å; W499-F508 HydrophobicContact CB-CE1 3.72Å; W499-F508 HydrophobicContact CB-CE2 4.11Å; W499-F508 HydrophobicContact CB-CG 4.48Å; W499-F508 HydrophobicContact CB-CZ 3.74Å; W499-F508 HydrophobicContact CG-CE1 4.2Å; W499-F508 HydrophobicContact CG-CZ 4.47Å; W499-Y516 PolarHBondContact NE1-O 2.98Å; W499-A518 HydrophobicContact CH2-CB 3.8Å; W499-A518 HydrophobicContact CZ2-CB 4.07Å; W499-V521 HydrophobicContact CD2-CG2 3.93Å; W499-V521 HydrophobicContact CG-CG2 4.19Å; W499-V521 HydrophobicContact CZ2-CG2 3.98Å; W499-L532 HydrophobicContact CH2-CD2 3.86Å; W499-L532 HydrophobicContact CZ3-CD2 3.66Å; W499-F536 HydrophobicContact CE3-CE2 4.5Å; W499-F536 HydrophobicContact CH2-CD2 4.31Å; W499-F536 AromaticContact CH2-CE2 3.41Å; W499-F536 HydrophobicContact CH2-CE2 3.41Å; W499-F536 VanDerWaalsContact CH2-CE2 3.41Å; W499-F536 AromaticContact CH2-CZ 3.97Å; W499-F536 HydrophobicContact CH2-CZ 3.97Å; W499-F536 HydrophobicContact CZ2-CE2 4.47Å; W499-F536 HydrophobicContact CZ3-CD2 4.47Å; W499-F536 AromaticContact CZ3-CE2 3.45Å; W499-F536 HydrophobicContact CZ3-CE2 3.45Å; W499-F536 VanDerWaalsContact CZ3-CE2 3.45Å; W499-F536 HydrophobicContact CZ3-CZ 4.11Å
500E91.8Very high90.3Very high62 Ų6263.1 Ų63.129%0.2935%0.35SS..Hα-helixtrans-59.6-38.4175.2-73.4167.8-178.600111.9R496 H497 I503 P504 F508R496-E500 IonicContact CZ-OE1 3.3Å; R496-E500 VanDerWaalsContact CZ-OE1 3.3Å; R496-E500 IonicContact NE-OE1 2.88Å; R496-E500 PolarHBondContact NE-OE1 3.38Å; R496-E500 IonicContact NH2-OE1 3.09Å; R496-E500 PolarHBondContact NH2-OE1 3.45Å; R496-E500 PolarHBondContact O-N 3.36Å; H497-E500 PolarHBondContact O-N 3.18Å; E500-I503 CarbonylContact O-C 3.51Å; E500-P504 VanDerWaalsContact O-CA 3.22Å; E500-P504 WeakPolarHBondContact O-CA 3.28Å; E500-F508 HydrophobicContact CB-CD2 4.38Å; E500-F508 HydrophobicContact CG-CB 3.98Å; E500-F508 HydrophobicContact CG-CD2 3.59Å; E500-F508 HydrophobicContact CG-CE2 4.49Å; E500-F508 HydrophobicContact CG-CG 4.1Å
501C93.4Very high88.6Confident81 Ų8163.5 Ų63.555%0.54737%0.37SS..Hα-helixtrans-70.4-37.6175.9-70.90000113H497 Q498 W499H497-C501 PolarHBondContact O-N 3.29Å; H497-C501 PolarHBondContact O-SG 3.03Å; Q498-C501 PolarHBondContact O-N 2.9Å; W499-C501 VanDerWaalsContact C-N 3.29Å; W499-C501 PolarHBondContact O-N 2.85Å
502L94.7Very high86.7Confident67 Ų6761.1 Ų61.135%0.35136%0.356SS..Hα-helixtrans-79.3-31.9-178.1-70169000112.6Q494 Q498 W499 V535 F536Q494-L502 HydrophobicContact CG-CD1 4.18Å; Q498-L502 WeakPolarHBondContact O-CB 3.43Å; Q498-L502 WeakPolarHBondContact O-CD1 3.28Å; Q498-L502 WeakPolarHBondContact O-CG 3.39Å; Q498-L502 PolarHBondContact O-N 3.16Å; W499-L502 PolarHBondContact O-N 3.36Å; L502-V535 HydrophobicContact CB-CG1 3.91Å; L502-V535 HydrophobicContact CD1-CG1 4.27Å; L502-V535 HydrophobicContact CD2-CG1 4.03Å; L502-V535 HydrophobicContact CG-CG1 4.3Å; L502-F536 HydrophobicContact CD1-CE1 4.36Å; L502-F536 HydrophobicContact CD1-CE2 4.35Å; L502-F536 HydrophobicContact CD1-CZ 3.62Å
503I94.4Very high85.2Confident1 Ų168.4 Ų68.41%0.00540%0.401CS..  trans-134.173.1-177.6-49.2-176.7000108.6W499 E500 E505 G506 F508 I527 R531 L532 V535W499-I503 HydrophobicContact CE3-CD1 3.94Å; W499-I503 HydrophobicContact CE3-CG1 4.42Å; W499-I503 HydrophobicContact CZ3-CD1 3.88Å; W499-I503 PolarHBondContact O-N 3.21Å; E500-I503 CarbonylContact O-C 3.51Å; I503-E505 HydrophobicContact CG2-CG 3.99Å; I503-E505 WeakPolarHBondContact CG2-OE1 3.38Å; I503-E505 PolarHBondContact O-N 3.24Å; I503-E505 VanDerWaalsContact O-N 3.13Å; I503-G506 PolarHBondContact O-N 3.02Å; I503-F508 HydrophobicContact CB-CE2 4.25Å; I503-F508 HydrophobicContact CB-CZ 4.2Å; I503-F508 WeakPolarHBondContact O-CE2 3.41Å; I503-I527 HydrophobicContact CD1-CG2 3.9Å; I503-I527 HydrophobicContact CG2-CD1 4.17Å; I503-R531 HydrophobicContact CG2-CG 4.4Å; I503-L532 HydrophobicContact CD1-CD2 3.93Å; I503-V535 HydrophobicContact CD1-CG2 4.38Å; I503-V535 HydrophobicContact CG1-CG2 4.05Å
504P90.2Very high84.4Confident96 Ų9667 Ų6762%0.62340%0.397SS*.THydrogen-bonded Turntrans-58.8-27.7-175.4-24.534.6000114.5E500 G506E500-P504 VanDerWaalsContact O-CA 3.22Å; E500-P504 WeakPolarHBondContact O-CA 3.28Å; P504-G506 VanDerWaalsContact C-N 3.25Å; P504-G506 PolarHBondContact O-N 2.73Å
505E90.6Very high84.3Confident120 Ų12072.4 Ų72.456%0.56142%0.416SS*.THydrogen-bonded Turntrans-73.3-12.8175.364.6-84.4-166.800114.1I503 R531I503-E505 HydrophobicContact CG2-CG 3.99Å; I503-E505 WeakPolarHBondContact CG2-OE1 3.38Å; I503-E505 PolarHBondContact O-N 3.24Å; I503-E505 VanDerWaalsContact O-N 3.13Å; E505-R531 IonicContact OE1-CZ 2.74Å; E505-R531 IonicContact OE1-NE 2.79Å; E505-R531 PolarHBondContact OE1-NE 3.22Å; E505-R531 IonicContact OE1-NH2 3.1Å; E505-R531 PolarHBondContact OE1-NH2 3.02Å
506G85.7Confident84.3Confident13 Ų1372.7 Ų72.713%0.13441%0.411CS..SBendtrans-75.8132.8-179.700000112.5I503 P504 F508I503-G506 PolarHBondContact O-N 3.02Å; P504-G506 VanDerWaalsContact C-N 3.25Å; P504-G506 PolarHBondContact O-N 2.73Å; G506-F508 WeakPolarHBondContact O-CD2 3.38Å; G506-F508 PolarHBondContact O-N 2.87Å
507N86.6Confident84.6Confident135 Ų13571.5 Ų71.572%0.72241%0.409SS*.  trans-89.382.7177.8-1745.5000111.2G509 F525N507-G509 VanDerWaalsContact C-N 3.25Å; N507-G509 PolarHBondContact O-N 2.69Å; N507-G509 PolarHBondContact OD1-N 2.86Å; N507-F525 WeakPolarHBondContact O-CD1 3.37Å
508F84.6Confident84.8Confident8 Ų865.4 Ų65.44%0.03538%0.381CS..  trans-81.34.9-177.6-59.8-79000114.8R496 W499 E500 I503 G506 V521 F525 I527R496-F508 WeakPolarHBondContact CD-O 3.42Å; R496-F508 HydrophobicContact CG-CB 3.89Å; R496-F508 PolarHBondContact NE-O 3.44Å; W499-F508 HydrophobicContact CB-CD1 4.1Å; W499-F508 HydrophobicContact CB-CD2 4.48Å; W499-F508 HydrophobicContact CB-CE1 3.72Å; W499-F508 HydrophobicContact CB-CE2 4.11Å; W499-F508 HydrophobicContact CB-CG 4.48Å; W499-F508 HydrophobicContact CB-CZ 3.74Å; W499-F508 HydrophobicContact CG-CE1 4.2Å; W499-F508 HydrophobicContact CG-CZ 4.47Å; E500-F508 HydrophobicContact CB-CD2 4.38Å; E500-F508 HydrophobicContact CG-CB 3.98Å; E500-F508 HydrophobicContact CG-CD2 3.59Å; E500-F508 HydrophobicContact CG-CE2 4.49Å; E500-F508 HydrophobicContact CG-CG 4.1Å; I503-F508 HydrophobicContact CB-CE2 4.25Å; I503-F508 HydrophobicContact CB-CZ 4.2Å; I503-F508 WeakPolarHBondContact O-CE2 3.41Å; G506-F508 WeakPolarHBondContact O-CD2 3.38Å; G506-F508 PolarHBondContact O-N 2.87Å; F508-V521 HydrophobicContact CE1-CG1 3.9Å; F508-V521 HydrophobicContact CE1-CG2 4.33Å; F508-V521 HydrophobicContact CZ-CG1 4.44Å; F508-F525 HydrophobicContact CB-CD1 4.47Å; F508-F525 HydrophobicContact CB-CE1 4.34Å; F508-F525 HydrophobicContact CD1-CB 4.14Å; F508-F525 AromaticContact CD1-CD1 3.94Å; F508-F525 HydrophobicContact CD1-CD1 3.94Å; F508-F525 AromaticContact CD1-CD2 3.45Å; F508-F525 HydrophobicContact CD1-CD2 3.45Å; F508-F525 VanDerWaalsContact CD1-CD2 3.45Å; F508-F525 HydrophobicContact CD1-CE1 4.17Å; F508-F525 AromaticContact CD1-CE2 3.77Å; F508-F525 HydrophobicContact CD1-CE2 3.77Å; F508-F525 AromaticContact CD1-CG 3.57Å; F508-F525 HydrophobicContact CD1-CG 3.57Å; F508-F525 HydrophobicContact CD1-CZ 4.11Å; F508-F525 HydrophobicContact CE1-CB 4.08Å; F508-F525 AromaticContact CE1-CD2 3.65Å; F508-F525 HydrophobicContact CE1-CD2 3.65Å; F508-F525 HydrophobicContact CE1-CE2 4.28Å; F508-F525 AromaticContact CE1-CG 3.9Å; F508-F525 HydrophobicContact CE1-CG 3.9Å; F508-I527 HydrophobicContact CZ-CD1 4.48Å; F508-I527 HydrophobicContact CZ-CG1 4.43Å
509G77.3Confident84.8Confident36 Ų3662 Ų6237%0.37136%0.364SS..  trans73.1-162.818000000113.3R496 N507R496-G509 VanDerWaalsContact CZ-C 3.49Å; R496-G509 PolarHBondContact NE-O 3.03Å; R496-G509 PolarHBondContact NH2-O 3.11Å; N507-G509 VanDerWaalsContact C-N 3.25Å; N507-G509 PolarHBondContact O-N 2.69Å; N507-G509 PolarHBondContact OD1-N 2.86Å
510T70.3Confident84.7Confident131 Ų13164.6 Ų64.680%0.80438%0.377SS*.SBendtrans-128.3-17.2174.353.60000114.7R496R496-T510 VanDerWaalsContact NH1-CA 3.25Å; R496-T510 PolarHBondContact NH1-O 3.36Å
511S59.5Low84.7Confident121 Ų12161.7 Ų61.785%0.84636%0.363SS*.SBendtrans-95.9-3.8-159.446.80000117.4
512A57.1Low84.6Confident38 Ų3857.8 Ų57.831%0.31434%0.337SS..  trans-124.6123.2-177.500000113.7R496 G514 Y516R496-A512 PolarHBondContact NH1-O 2.88Å; A512-G514 VanDerWaalsContact C-N 3.32Å; A512-G514 PolarHBondContact O-N 2.97Å; A512-Y516 VanDerWaalsContact CB-OH 3.24Å; A512-Y516 WeakPolarHBondContact CB-OH 3.43Å
513T63.9Low84.2Confident160 Ų16056.3 Ų56.398%0.98233%0.332SS*.  trans-86.169.3166.453.60000109.3
514G80.8Confident83.8Confident23 Ų2361.4 Ų61.424%0.23736%0.359CS..  trans-115.8155.4-178.900000113R496 A512R496-G514 PolarHBondContact N-O 3.19Å; A512-G514 VanDerWaalsContact C-N 3.32Å; A512-G514 PolarHBondContact O-N 2.97Å
515R92.1Very high83.7Confident157 Ų15758.5 Ų58.559%0.59234%0.337SS*.EExtended strand (participates in β ladder)trans-93136.2158.5-66.1-176.472.896.63.3107.8V493 Q494V493-R515 HydrophobicContact CG1-CB 3.83Å; V493-R515 PolarHBondContact O-NH2 3.45Å; Q494-R515 CarbonylContact O-C 3.59Å; Q494-R515 WeakPolarHBondContact O-CA 3.11Å
516Y91.8Very high83.7Confident39 Ų3958.5 Ų58.515%0.15334%0.34CS..EExtended strand (participates in β ladder)trans-124.2136180-60.2-82.1000109.3Q494 R496 W499 A512 L524 F525Q494-Y516 PolarHBondContact N-O 3.4Å; Q494-Y516 VanDerWaalsContact N-O 3.11Å; Q494-Y516 PolarHBondContact O-N 3.46Å; R496-Y516 HydrophobicContact CB-CD2 4.48Å; R496-Y516 HydrophobicContact CB-CE2 4.29Å; W499-Y516 PolarHBondContact NE1-O 2.98Å; A512-Y516 VanDerWaalsContact CB-OH 3.24Å; A512-Y516 WeakPolarHBondContact CB-OH 3.43Å; Y516-L524 HydrophobicContact CD1-CD1 4.22Å; Y516-L524 HydrophobicContact CE1-CD1 4.2Å; Y516-F525 HydrophobicContact CD1-CE2 4.18Å; Y516-F525 HydrophobicContact CD1-CZ 4.42Å; Y516-F525 HydrophobicContact CD2-CE2 4.16Å; Y516-F525 HydrophobicContact CD2-CZ 4.28Å; Y516-F525 HydrophobicContact CE1-CE2 4.44Å; Y516-F525 HydrophobicContact CE1-CZ 4.23Å; Y516-F525 HydrophobicContact CE2-CE2 4.42Å; Y516-F525 HydrophobicContact CE2-CZ 4.08Å; Y516-F525 HydrophobicContact CG-CE2 4.03Å; Y516-F525 HydrophobicContact CG-CZ 4.44Å
517S94.4Very high84Confident11 Ų1158.3 Ų58.38%0.07734%0.336CS..EExtended strand (participates in β ladder)trans-71.5155.2166.961.90000110.9V492 F519 E520 V521V492-S517 CarbonylContact O-C 3.42Å; V492-S517 WeakPolarHBondContact O-CA 3.48Å; S517-F519 PolarHBondContact O-N 3.48Å; S517-E520 WeakPolarHBondContact CB-OE2 3.35Å; S517-E520 PolarHBondContact N-OE2 3.03Å; S517-E520 PolarHBondContact O-N 2.94Å; S517-E520 VanDerWaalsContact O-N 3.09Å; S517-E520 VanDerWaalsContact OG-CG 3.31Å; S517-E520 WeakPolarHBondContact OG-CG 3.45Å; S517-E520 PolarHBondContact OG-N 3.39Å; S517-E520 PolarHBondContact OG-OE2 3.46Å; S517-V521 WeakPolarHBondContact O-CG2 3.18Å; S517-V521 PolarHBondContact O-N 2.91Å
518A94.7Very high84.4Confident0 Ų054.9 Ų54.90%032%0.321CS..Hα-helixtrans-59-30.4173.300000111.4L489 V492 W499 V521 L522 L532L489-A518 HydrophobicContact CB-CB 4.35Å; L489-A518 HydrophobicContact CD2-CB 3.67Å; L489-A518 WeakPolarHBondContact O-CB 3.39Å; L489-A518 PolarHBondContact O-N 2.9Å; L489-A518 VanDerWaalsContact O-N 3.08Å; V492-A518 HydrophobicContact CB-CB 4.01Å; V492-A518 HydrophobicContact CG1-CB 4.16Å; V492-A518 PolarHBondContact O-N 2.94Å; W499-A518 HydrophobicContact CH2-CB 3.8Å; W499-A518 HydrophobicContact CZ2-CB 4.07Å; A518-V521 PolarHBondContact O-N 3.35Å; A518-L522 WeakPolarHBondContact O-CB 3.34Å; A518-L522 PolarHBondContact O-N 3.2Å; A518-L532 HydrophobicContact CB-CD1 4.33Å; A518-L532 HydrophobicContact CB-CD2 4.29Å
519F93.9Very high84.9Confident2 Ų254.5 Ų54.51%0.00932%0.32CS..Hα-helixtrans-63.6-39.7174.4-177.2-96.1000113.5T486 L489 R490 S517 I554 S558 E561T486-F519 HydrophobicContact CG2-CD2 3.95Å; T486-F519 HydrophobicContact CG2-CE2 3.64Å; T486-F519 HydrophobicContact CG2-CZ 4.38Å; L489-F519 HydrophobicContact CB-CB 3.81Å; L489-F519 HydrophobicContact CB-CD2 4.42Å; L489-F519 PolarHBondContact O-N 3.08Å; R490-F519 HydrophobicContact CG-CB 3.87Å; R490-F519 HydrophobicContact CG-CD1 4.37Å; R490-F519 HydrophobicContact CG-CG 4.02Å; S517-F519 PolarHBondContact O-N 3.48Å; F519-I554 HydrophobicContact CD2-CG2 3.89Å; F519-I554 HydrophobicContact CE2-CG2 3.77Å; F519-S558 WeakPolarHBondContact CE1-OG 3.39Å; F519-S558 PolarHBondContact O-OG 3.4Å; F519-E561 WeakPolarHBondContact CE1-OE2 3.23Å
520E91.4Very high85.7Confident56 Ų5658.3 Ų58.326%0.26233%0.328SS..Hα-helixtrans-74.5-39.2173.5-71162.4130.500111S517 L522 S523 L524S517-E520 WeakPolarHBondContact CB-OE2 3.35Å; S517-E520 PolarHBondContact N-OE2 3.03Å; S517-E520 PolarHBondContact O-N 2.94Å; S517-E520 VanDerWaalsContact O-N 3.09Å; S517-E520 VanDerWaalsContact OG-CG 3.31Å; S517-E520 WeakPolarHBondContact OG-CG 3.45Å; S517-E520 PolarHBondContact OG-N 3.39Å; S517-E520 PolarHBondContact OG-OE2 3.46Å; E520-L522 VanDerWaalsContact C-N 3.3Å; E520-L522 PolarHBondContact O-N 3.04Å; E520-S523 PolarHBondContact O-N 3.02Å; E520-S523 VanDerWaalsContact O-N 3.16Å; E520-S523 PolarHBondContact O-OG 3.28Å; E520-L524 HydrophobicContact CB-CD1 4.1Å; E520-L524 VanDerWaalsContact O-CB 3.32Å; E520-L524 WeakPolarHBondContact O-CB 3.47Å; E520-L524 WeakPolarHBondContact O-CG 3.38Å; E520-L524 PolarHBondContact O-N 3.18Å
521V91.8Very high86.9Confident0 Ų055.5 Ų55.50%030%0.302CS..Hα-helixtrans-61.2-41.6-179164.60000112W499 F508 S517 A518 S523 F525 I527 L532W499-V521 HydrophobicContact CD2-CG2 3.93Å; W499-V521 HydrophobicContact CG-CG2 4.19Å; W499-V521 HydrophobicContact CZ2-CG2 3.98Å; F508-V521 HydrophobicContact CE1-CG1 3.9Å; F508-V521 HydrophobicContact CE1-CG2 4.33Å; F508-V521 HydrophobicContact CZ-CG1 4.44Å; S517-V521 WeakPolarHBondContact O-CG2 3.18Å; S517-V521 PolarHBondContact O-N 2.91Å; A518-V521 PolarHBondContact O-N 3.35Å; V521-S523 PolarHBondContact O-N 3.44Å; V521-F525 HydrophobicContact CB-CD2 4.12Å; V521-F525 HydrophobicContact CG1-CD2 4.16Å; V521-F525 HydrophobicContact CG2-CD2 3.88Å; V521-F525 HydrophobicContact CG2-CE2 4.07Å; V521-F525 PolarHBondContact O-N 2.89Å; V521-F525 VanDerWaalsContact O-N 3.09Å; V521-I527 HydrophobicContact CG1-CB 3.98Å; V521-I527 HydrophobicContact CG1-CG1 3.58Å; V521-L532 HydrophobicContact CG1-CD2 4.33Å
522L90.9Very high88.6Confident0 Ų049.8 Ų49.80%026%0.262CS..Hα-helixtrans-56.2-36.1177171.2145000112.4L489 A518 E520 L529 L532 E551 I554 R555L489-L522 HydrophobicContact CD1-CD1 4.36Å; A518-L522 WeakPolarHBondContact O-CB 3.34Å; A518-L522 PolarHBondContact O-N 3.2Å; E520-L522 VanDerWaalsContact C-N 3.3Å; E520-L522 PolarHBondContact O-N 3.04Å; L522-L529 HydrophobicContact CD1-CB 4.06Å; L522-L529 HydrophobicContact CD1-CD1 4.09Å; L522-L532 HydrophobicContact CB-CD1 3.88Å; L522-L532 HydrophobicContact CD1-CD1 4.23Å; L522-E551 HydrophobicContact CD1-CG 4.43Å; L522-I554 HydrophobicContact CD1-CG2 4.21Å; L522-I554 HydrophobicContact CD2-CG2 3.89Å; L522-R555 HydrophobicContact CD2-CB 4.06Å; L522-R555 HydrophobicContact CD2-CG 3.26Å; L522-R555 HydrophobicContact CG-CG 3.96Å; L522-R555 VanDerWaalsContact O-CZ 3.32Å; L522-R555 PolarHBondContact O-NH1 3.35Å
523S85.7Confident90.4Very high36 Ų3649.6 Ų49.625%0.25226%0.255SS..Hα-helixtrans-96.3-42.7-179.464.90000114E520 V521 S558E520-S523 PolarHBondContact O-N 3.02Å; E520-S523 VanDerWaalsContact O-N 3.16Å; E520-S523 PolarHBondContact O-OG 3.28Å; V521-S523 PolarHBondContact O-N 3.44Å; S523-S558 VanDerWaalsContact CB-OG 3.3Å; S523-S558 WeakPolarHBondContact CB-OG 3.38Å; S523-S558 PolarHBondContact OG-OG 3Å
524L86.6Confident91.9Very high108 Ų10847 Ų4757%0.56523%0.232SC*.Hα-helixtrans-75.1-32.8-174.6-66.3178.4000113.1Y516 E520Y516-L524 HydrophobicContact CD1-CD1 4.22Å; Y516-L524 HydrophobicContact CE1-CD1 4.2Å; E520-L524 HydrophobicContact CB-CD1 4.1Å; E520-L524 VanDerWaalsContact O-CB 3.32Å; E520-L524 WeakPolarHBondContact O-CB 3.47Å; E520-L524 WeakPolarHBondContact O-CG 3.38Å; E520-L524 PolarHBondContact O-N 3.18Å
525F88.6Confident92.6Very high35 Ų3547.3 Ų47.315%0.15423%0.229CC..SBendtrans-116.29.9-176.1-51-66.9000113N507 F508 Y516 V521 I527N507-F525 WeakPolarHBondContact O-CD1 3.37Å; F508-F525 HydrophobicContact CB-CD1 4.47Å; F508-F525 HydrophobicContact CB-CE1 4.34Å; F508-F525 HydrophobicContact CD1-CB 4.14Å; F508-F525 AromaticContact CD1-CD1 3.94Å; F508-F525 HydrophobicContact CD1-CD1 3.94Å; F508-F525 AromaticContact CD1-CD2 3.45Å; F508-F525 HydrophobicContact CD1-CD2 3.45Å; F508-F525 VanDerWaalsContact CD1-CD2 3.45Å; F508-F525 HydrophobicContact CD1-CE1 4.17Å; F508-F525 AromaticContact CD1-CE2 3.77Å; F508-F525 HydrophobicContact CD1-CE2 3.77Å; F508-F525 AromaticContact CD1-CG 3.57Å; F508-F525 HydrophobicContact CD1-CG 3.57Å; F508-F525 HydrophobicContact CD1-CZ 4.11Å; F508-F525 HydrophobicContact CE1-CB 4.08Å; F508-F525 AromaticContact CE1-CD2 3.65Å; F508-F525 HydrophobicContact CE1-CD2 3.65Å; F508-F525 HydrophobicContact CE1-CE2 4.28Å; F508-F525 AromaticContact CE1-CG 3.9Å; F508-F525 HydrophobicContact CE1-CG 3.9Å; Y516-F525 HydrophobicContact CD1-CE2 4.18Å; Y516-F525 HydrophobicContact CD1-CZ 4.42Å; Y516-F525 HydrophobicContact CD2-CE2 4.16Å; Y516-F525 HydrophobicContact CD2-CZ 4.28Å; Y516-F525 HydrophobicContact CE1-CE2 4.44Å; Y516-F525 HydrophobicContact CE1-CZ 4.23Å; Y516-F525 HydrophobicContact CE2-CE2 4.42Å; Y516-F525 HydrophobicContact CE2-CZ 4.08Å; Y516-F525 HydrophobicContact CG-CE2 4.03Å; Y516-F525 HydrophobicContact CG-CZ 4.44Å; V521-F525 HydrophobicContact CB-CD2 4.12Å; V521-F525 HydrophobicContact CG1-CD2 4.16Å; V521-F525 HydrophobicContact CG2-CD2 3.88Å; V521-F525 HydrophobicContact CG2-CE2 4.07Å; V521-F525 PolarHBondContact O-N 2.89Å; V521-F525 VanDerWaalsContact O-N 3.09Å; F525-I527 HydrophobicContact CB-CG1 4.14Å; F525-I527 PolarHBondContact O-N 3.24Å
526D89.5Confident92.8Very high119 Ų11940.5 Ų40.564%0.63620%0.204SC*.  trans57.129.7176-158.425.6000115.2R555D526-R555 PolarHBondContact O-NH2 2.7Å; D526-R555 IonicContact OD1-CZ 2.87Å; D526-R555 IonicContact OD1-NH1 3.95Å; D526-R555 PolarHBondContact OD1-NH1 3.38Å; D526-R555 IonicContact OD1-NH2 3.81Å; D526-R555 PolarHBondContact OD1-NH2 2.86Å
527I93Very high92.9Very high10 Ų1043.2 Ų43.25%0.05123%0.226CC..  trans-77.6127.3-178.9-55.9-54.6000111.1I503 F508 V521 F525 R531 L532 R555I503-I527 HydrophobicContact CD1-CG2 3.9Å; I503-I527 HydrophobicContact CG2-CD1 4.17Å; F508-I527 HydrophobicContact CZ-CD1 4.48Å; F508-I527 HydrophobicContact CZ-CG1 4.43Å; V521-I527 HydrophobicContact CG1-CB 3.98Å; V521-I527 HydrophobicContact CG1-CG1 3.58Å; F525-I527 HydrophobicContact CB-CG1 4.14Å; F525-I527 PolarHBondContact O-N 3.24Å; I527-R531 HydrophobicContact CG2-CB 4.18Å; I527-R531 HydrophobicContact CG2-CG 4.32Å; I527-L532 HydrophobicContact CG2-CD2 4.11Å; I527-L532 HydrophobicContact CG2-CG 4Å; I527-R555 PolarHBondContact O-NH2 3.12Å; I527-R555 VanDerWaalsContact O-NH2 3.12Å
528P94.1Very high92.9Very high63 Ų6347.7 Ų47.741%0.40926%0.258SS..  trans-60.3144.9177.1-23.834000113.2Q530 R531 L532P528-Q530 VanDerWaalsContact C-N 3.26Å; P528-Q530 PolarHBondContact O-N 2.8Å; P528-R531 HydrophobicContact CB-CB 4.45Å; P528-R531 WeakPolarHBondContact O-CB 3.07Å; P528-R531 PolarHBondContact O-N 2.99Å; P528-R531 VanDerWaalsContact O-N 3.09Å; P528-L532 PolarHBondContact O-N 3.43Å
529L95.1Very high92.9Very high0 Ų052.2 Ų52.20%028%0.279CS..Hα-helixtrans-60.8-40.4178.7178.458.9000111.1M485 L489 L522 R531 L532 M533 M547 L550 E551 I554M485-L529 HydrophobicContact CG-CD1 4.17Å; M485-L529 HydrophobicContact CG-CD2 4.38Å; M485-L529 HydrophobicContact SD-CD1 3.99Å; L489-L529 HydrophobicContact CD1-CD1 3.99Å; L489-L529 HydrophobicContact CD2-CD1 4.11Å; L522-L529 HydrophobicContact CD1-CB 4.06Å; L522-L529 HydrophobicContact CD1-CD1 4.09Å; L529-R531 PolarHBondContact O-N 3.39Å; L529-L532 PolarHBondContact O-N 2.89Å; L529-L532 VanDerWaalsContact O-N 3.13Å; L529-M533 HydrophobicContact CD1-CG 4.45Å; L529-M533 HydrophobicContact CG-SD 4.19Å; L529-M533 WeakPolarHBondContact O-CG 3.48Å; L529-M533 PolarHBondContact O-N 3.28Å; L529-M547 HydrophobicContact CD2-CG 4.47Å; L529-L550 HydrophobicContact CD2-CD2 4.13Å; L529-L550 HydrophobicContact CD2-CG 4.28Å; L529-E551 HydrophobicContact CB-CB 3.87Å; L529-E551 HydrophobicContact CB-CG 3.83Å; L529-E551 VanDerWaalsContact CB-OE2 3.3Å; L529-E551 WeakPolarHBondContact CB-OE2 3.37Å; L529-E551 HydrophobicContact CD2-CB 4.1Å; L529-E551 VanDerWaalsContact N-CD 3.33Å; L529-E551 PolarHBondContact N-OE2 2.94Å; L529-I554 HydrophobicContact CD2-CD1 4.28Å
530Q94.3Very high92.9Very high115 Ų11552.6 Ų52.654%0.53728%0.281SS..Hα-helixtrans-54.7-41.5176.5-172.6167.92.200111.9P528 M533 E534 M547P528-Q530 VanDerWaalsContact C-N 3.26Å; P528-Q530 PolarHBondContact O-N 2.8Å; Q530-M533 PolarHBondContact O-N 3.44Å; Q530-E534 WeakPolarHBondContact O-CG 3.01Å; Q530-E534 PolarHBondContact O-N 3Å; Q530-M547 HydrophobicContact CB-SD 3.68Å; Q530-M547 HydrophobicContact CG-SD 4.08Å
531R95Very high93Very high73 Ų7352 Ų5228%0.27528%0.282SS..Hα-helixtrans-67.4-40.4-179.8-173.656.2176145.98111.9I503 E505 I527 P528 L529 M533 E534 V535I503-R531 HydrophobicContact CG2-CG 4.4Å; E505-R531 IonicContact OE1-CZ 2.74Å; E505-R531 IonicContact OE1-NE 2.79Å; E505-R531 PolarHBondContact OE1-NE 3.22Å; E505-R531 IonicContact OE1-NH2 3.1Å; E505-R531 PolarHBondContact OE1-NH2 3.02Å; I527-R531 HydrophobicContact CG2-CB 4.18Å; I527-R531 HydrophobicContact CG2-CG 4.32Å; P528-R531 HydrophobicContact CB-CB 4.45Å; P528-R531 WeakPolarHBondContact O-CB 3.07Å; P528-R531 PolarHBondContact O-N 2.99Å; P528-R531 VanDerWaalsContact O-N 3.09Å; L529-R531 PolarHBondContact O-N 3.39Å; R531-M533 VanDerWaalsContact C-N 3.29Å; R531-M533 PolarHBondContact O-N 2.96Å; R531-E534 VanDerWaalsContact CD-OE2 3.3Å; R531-E534 WeakPolarHBondContact CD-OE2 3.42Å; R531-E534 IonicContact CZ-OE2 2.77Å; R531-E534 IonicContact NE-OE2 2.78Å; R531-E534 IonicContact NH1-OE2 3.3Å; R531-E534 PolarHBondContact NH1-OE2 3.18Å; R531-E534 PolarHBondContact O-N 2.73Å; R531-V535 WeakPolarHBondContact O-CG2 3.49Å; R531-V535 PolarHBondContact O-N 3.29Å; R531-V535 VanDerWaalsContact O-N 3.13Å
532L95.5Very high92.9Very high0 Ų056.9 Ų56.90%032%0.316CS..Hα-helixtrans-62.4-39175-66.6169.9000111.4L489 W499 I503 A518 V521 L522 I527 P528 L529 V535 F536 L540L489-L532 HydrophobicContact CD2-CB 4.5Å; L489-L532 HydrophobicContact CD2-CD1 3.96Å; W499-L532 HydrophobicContact CH2-CD2 3.86Å; W499-L532 HydrophobicContact CZ3-CD2 3.66Å; I503-L532 HydrophobicContact CD1-CD2 3.93Å; A518-L532 HydrophobicContact CB-CD1 4.33Å; A518-L532 HydrophobicContact CB-CD2 4.29Å; V521-L532 HydrophobicContact CG1-CD2 4.33Å; L522-L532 HydrophobicContact CB-CD1 3.88Å; L522-L532 HydrophobicContact CD1-CD1 4.23Å; I527-L532 HydrophobicContact CG2-CD2 4.11Å; I527-L532 HydrophobicContact CG2-CG 4Å; P528-L532 PolarHBondContact O-N 3.43Å; L529-L532 PolarHBondContact O-N 2.89Å; L529-L532 VanDerWaalsContact O-N 3.13Å; L532-V535 PolarHBondContact O-N 3.29Å; L532-F536 PolarHBondContact O-N 3.29Å; L532-L540 HydrophobicContact CB-CD1 3.92Å; L532-L540 WeakPolarHBondContact O-CD1 3.45Å
533M95.1Very high92.8Very high34 Ų3458.3 Ų58.317%0.16733%0.325CS..Hα-helixtrans-66.6-33.9176.2-66.5178.468.700113.1M485 L529 Q530 R531 F536 P537 L540 P541 M547M485-M533 HydrophobicContact CE-CE 4.11Å; M485-M533 HydrophobicContact CE-CG 4.29Å; M485-M533 HydrophobicContact CE-SD 3.82Å; L529-M533 HydrophobicContact CD1-CG 4.45Å; L529-M533 HydrophobicContact CG-SD 4.19Å; L529-M533 WeakPolarHBondContact O-CG 3.48Å; L529-M533 PolarHBondContact O-N 3.28Å; Q530-M533 PolarHBondContact O-N 3.44Å; R531-M533 VanDerWaalsContact C-N 3.29Å; R531-M533 PolarHBondContact O-N 2.96Å; M533-F536 CarbonylContact O-C 3.51Å; M533-P537 VanDerWaalsContact O-CA 3.3Å; M533-P537 WeakPolarHBondContact O-CA 3.34Å; M533-L540 HydrophobicContact CG-CB 4.21Å; M533-L540 HydrophobicContact CG-CD1 4.05Å; M533-P541 WeakPolarHBondContact CE-O 3.25Å; M533-M547 HydrophobicContact CE-CE 4.13Å; M533-M547 HydrophobicContact SD-CE 3.59Å; M533-M547 VanDerWaalsContact SD-CE 3.59Å
534E95.2Very high92.9Very high105 Ų10562.3 Ų62.349%0.49134%0.343SS..Hα-helixtrans-67.4-37.5173.5-71167.8-171.400112.5Q530 R531Q530-E534 WeakPolarHBondContact O-CG 3.01Å; Q530-E534 PolarHBondContact O-N 3Å; R531-E534 VanDerWaalsContact CD-OE2 3.3Å; R531-E534 WeakPolarHBondContact CD-OE2 3.42Å; R531-E534 IonicContact CZ-OE2 2.77Å; R531-E534 IonicContact NE-OE2 2.78Å; R531-E534 IonicContact NH1-OE2 3.3Å; R531-E534 PolarHBondContact NH1-OE2 3.18Å; R531-E534 PolarHBondContact O-N 2.73Å
535V95.5Very high93Very high31 Ų3158.3 Ų58.319%0.18832%0.323CS..Hα-helixtrans-77.8-35.1-179176.70000111.6L502 I503 R531 L532 P537L502-V535 HydrophobicContact CB-CG1 3.91Å; L502-V535 HydrophobicContact CD1-CG1 4.27Å; L502-V535 HydrophobicContact CD2-CG1 4.03Å; L502-V535 HydrophobicContact CG-CG1 4.3Å; I503-V535 HydrophobicContact CD1-CG2 4.38Å; I503-V535 HydrophobicContact CG1-CG2 4.05Å; R531-V535 WeakPolarHBondContact O-CG2 3.49Å; R531-V535 PolarHBondContact O-N 3.29Å; R531-V535 VanDerWaalsContact O-N 3.13Å; L532-V535 PolarHBondContact O-N 3.29Å; V535-P537 WeakPolarHBondContact O-CD 3.47Å
536F96.1Very high93.1Very high13 Ų1361.5 Ų61.56%0.05734%0.339CS..  trans-124.161.2-178.3-61.4-78.6000112.6V492 Q494 W499 L502 L532 M533 S538 E539 L540V492-F536 HydrophobicContact CG1-CD1 3.86Å; V492-F536 HydrophobicContact CG1-CD2 3.89Å; V492-F536 HydrophobicContact CG1-CE1 3.67Å; V492-F536 HydrophobicContact CG1-CE2 3.72Å; V492-F536 HydrophobicContact CG1-CG 3.94Å; V492-F536 HydrophobicContact CG1-CZ 3.58Å; V492-F536 HydrophobicContact CG2-CG 4.49Å; Q494-F536 HydrophobicContact CG-CZ 4Å; W499-F536 HydrophobicContact CE3-CE2 4.5Å; W499-F536 HydrophobicContact CH2-CD2 4.31Å; W499-F536 AromaticContact CH2-CE2 3.41Å; W499-F536 HydrophobicContact CH2-CE2 3.41Å; W499-F536 VanDerWaalsContact CH2-CE2 3.41Å; W499-F536 AromaticContact CH2-CZ 3.97Å; W499-F536 HydrophobicContact CH2-CZ 3.97Å; W499-F536 HydrophobicContact CZ2-CE2 4.47Å; W499-F536 HydrophobicContact CZ3-CD2 4.47Å; W499-F536 AromaticContact CZ3-CE2 3.45Å; W499-F536 HydrophobicContact CZ3-CE2 3.45Å; W499-F536 VanDerWaalsContact CZ3-CE2 3.45Å; W499-F536 HydrophobicContact CZ3-CZ 4.11Å; L502-F536 HydrophobicContact CD1-CE1 4.36Å; L502-F536 HydrophobicContact CD1-CE2 4.35Å; L502-F536 HydrophobicContact CD1-CZ 3.62Å; L532-F536 PolarHBondContact O-N 3.29Å; M533-F536 CarbonylContact O-C 3.51Å; F536-S538 VanDerWaalsContact C-N 3.27Å; F536-S538 PolarHBondContact O-N 3.02Å; F536-E539 HydrophobicContact CB-CB 4.25Å; F536-E539 PolarHBondContact O-N 2.89Å; F536-L540 HydrophobicContact CB-CD1 4.25Å; F536-L540 HydrophobicContact CB-CG 4.07Å; F536-L540 WeakPolarHBondContact O-CB 3.44Å; F536-L540 PolarHBondContact O-N 2.83Å
537P94.6Very high93.2Very high96 Ų9658.5 Ų58.562%0.62332%0.322SS*.THydrogen-bonded Turntrans-70.1-22-17429-36000113.5M533 V535M533-P537 VanDerWaalsContact O-CA 3.3Å; M533-P537 WeakPolarHBondContact O-CA 3.34Å; V535-P537 WeakPolarHBondContact O-CD 3.47Å
538S93.6Very high93.1Very high105 Ų10563.7 Ų63.773%0.73435%0.346SS*.THydrogen-bonded Turntrans-84.9-28.7177.633.40000113.4F536F536-S538 VanDerWaalsContact C-N 3.27Å; F536-S538 PolarHBondContact O-N 3.02Å
539E95Very high93Very high96 Ų9662.9 Ų62.945%0.44934%0.337SS..THydrogen-bonded Turntrans-95-31.5-173.7-61.185.6158.900112V492 F536V492-E539 HydrophobicContact CG2-CB 3.79Å; V492-E539 HydrophobicContact CG2-CG 4.34Å; F536-E539 HydrophobicContact CB-CB 4.25Å; F536-E539 PolarHBondContact O-N 2.89Å
540L94.4Very high93Very high9 Ų962.9 Ų62.95%0.04734%0.337CS..SBendtrans-96.8128.1-179.1-59-175.2000111.2M485 A488 L489 V492 L532 M533 F536M485-L540 HydrophobicContact SD-CB 4.31Å; M485-L540 HydrophobicContact SD-CD2 4.34Å; A488-L540 HydrophobicContact CB-CD2 3.75Å; L489-L540 HydrophobicContact CD2-CD1 3.9Å; L489-L540 HydrophobicContact CD2-CD2 3.92Å; L489-L540 HydrophobicContact CG-CD2 4.21Å; V492-L540 HydrophobicContact CG2-CD2 4.23Å; L532-L540 HydrophobicContact CB-CD1 3.92Å; L532-L540 WeakPolarHBondContact O-CD1 3.45Å; M533-L540 HydrophobicContact CG-CB 4.21Å; M533-L540 HydrophobicContact CG-CD1 4.05Å; F536-L540 HydrophobicContact CB-CD1 4.25Å; F536-L540 HydrophobicContact CB-CG 4.07Å; F536-L540 WeakPolarHBondContact O-CB 3.44Å; F536-L540 PolarHBondContact O-N 2.83Å
541P93.4Very high93Very high43 Ų4359 Ų5928%0.27932%0.318SS..PPolyproline II helixtrans-71.7153.7-17629.9-35.4000111.9R484 M485 A488 M533R484-P541 HydrophobicContact CB-CG 4.26Å; M485-P541 HydrophobicContact CE-CG 4.11Å; M485-P541 WeakPolarHBondContact CE-O 3.39Å; M485-P541 HydrophobicContact SD-CG 4.43Å; A488-P541 HydrophobicContact CB-CG 4.44Å; M533-P541 WeakPolarHBondContact CE-O 3.25Å
542S90.2Very high92.9Very high104 Ų10458 Ų5873%0.72732%0.316SS*.PPolyproline II helixtrans-67153.316459.10000110.9
543V89.3Confident92.8Very high30 Ų3058.6 Ų58.618%0.18232%0.318CS..  trans-120.2145.6-175.3-59.30000109.8M485 M547 L550M485-V543 HydrophobicContact CE-CG1 3.52Å; V543-M547 HydrophobicContact CG2-CE 4.29Å; V543-L550 HydrophobicContact CB-CD2 3.92Å; V543-L550 HydrophobicContact CG1-CD2 3.41Å; V543-L550 VanDerWaalsContact CG1-CD2 3.41Å; V543-L550 HydrophobicContact CG2-CD2 4.29Å
544N87.6Confident92.9Very high119 Ų11957 Ų5764%0.63631%0.31SS*.SBendtrans-104-6.8176.1-57.4-65.6000112Q477 D481Q477-N544 HydrophobicContact CG-CB 4.18Å; Q477-N544 PolarHBondContact NE2-ND2 2.84Å; D481-N544 PolarHBondContact OD2-N 2.79Å
545T88.6Confident92.8Very high24 Ų2454.3 Ų54.315%0.14730%0.296CS..SBendtrans-92164.3174.947.60000112.6Q477 M478 D481 M547Q477-T545 HydrophobicContact CB-CG2 4.42Å; Q477-T545 HydrophobicContact CG-CG2 3.84Å; M478-T545 HydrophobicContact CB-CG2 4.03Å; M478-T545 HydrophobicContact CE-CG2 3.93Å; M478-T545 HydrophobicContact SD-CG2 4.2Å; D481-T545 HydrophobicContact CB-CG2 4.48Å; D481-T545 WeakPolarHBondContact OD2-CB 3.4Å; D481-T545 WeakPolarHBondContact OD2-CG2 3.37Å; D481-T545 PolarHBondContact OD2-N 3.21Å; D481-T545 PolarHBondContact OD2-OG1 3.13Å; T545-M547 PolarHBondContact O-N 3.34Å
546E89.7Confident92.6Very high103 Ų10353.3 Ų53.348%0.48129%0.289SS..  trans-60.3117.6173.2-67.9-67.3154.200110.1K242 E548 E549 L550K242-E546 HydrophobicContact CD-CG 3.94Å; K242-E546 IonicContact NZ-OE1 2.74Å; K242-E546 PolarHBondContact NZ-OE1 3.46Å; E546-E548 PolarHBondContact O-N 3.27Å; E546-E549 PolarHBondContact O-N 3.2Å; E546-L550 PolarHBondContact O-N 3.29Å; E546-L550 VanDerWaalsContact O-N 3.07Å
547M91.3Very high92.3Very high56 Ų5655 Ų5528%0.27630%0.299SS..Hα-helixtrans-57.9-36.6-173.7-174.9172.7-73.800112.5L529 Q530 M533 V543 T545 L550 E551L529-M547 HydrophobicContact CD2-CG 4.47Å; Q530-M547 HydrophobicContact CB-SD 3.68Å; Q530-M547 HydrophobicContact CG-SD 4.08Å; M533-M547 HydrophobicContact CE-CE 4.13Å; M533-M547 HydrophobicContact SD-CE 3.59Å; M533-M547 VanDerWaalsContact SD-CE 3.59Å; V543-M547 HydrophobicContact CG2-CE 4.29Å; T545-M547 PolarHBondContact O-N 3.34Å; M547-L550 PolarHBondContact O-N 3.08Å; M547-E551 VanDerWaalsContact O-CB 3.3Å; M547-E551 WeakPolarHBondContact O-CB 3.45Å; M547-E551 PolarHBondContact O-N 3.35Å
548E91.5Very high92Very high118 Ų11850.8 Ų50.855%0.55127%0.272SS*.Hα-helixtrans-65.4-45.4180-170.5-175.7173.300112.5K233 E546 K552K233-E548 WeakPolarHBondContact CE-OE1 3.32Å; K233-E548 IonicContact NZ-OE1 3.77Å; K233-E548 PolarHBondContact NZ-OE1 2.75Å; K233-E548 IonicContact NZ-OE2 2.93Å; K233-E548 PolarHBondContact NZ-OE2 2.73Å; E546-E548 PolarHBondContact O-N 3.27Å; E548-K552 VanDerWaalsContact O-CB 3.24Å; E548-K552 WeakPolarHBondContact O-CB 3.28Å; E548-K552 PolarHBondContact O-N 2.67Å
549E92.2Very high91.7Very high47 Ų4751.8 Ų51.822%0.2227%0.265CS..Hα-helixtrans-70.7-36179.6178.663.2-167.500110.8M478 E546 K552 R553M478-E549 HydrophobicContact CE-CB 4.19Å; M478-E549 HydrophobicContact CE-CG 3.75Å; E546-E549 PolarHBondContact O-N 3.2Å; E549-K552 IonicContact OE2-NZ 3.77Å; E549-K552 PolarHBondContact OE2-NZ 3.4Å; E549-K552 VanDerWaalsContact OE2-NZ 3.12Å; E549-R553 WeakPolarHBondContact O-CG 3.18Å; E549-R553 PolarHBondContact O-N 3.12Å; E549-R553 VanDerWaalsContact O-N 3.1Å; E549-R553 IonicContact OE1-CZ 3.4Å; E549-R553 IonicContact OE1-NE 2.7Å; E549-R553 PolarHBondContact OE1-NE 2.69Å; E549-R553 IonicContact OE1-NH2 3.47Å; E549-R553 PolarHBondContact OE1-NH2 2.92Å
550L94.6Very high91.4Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-61.1-52.8173179.365000111.3M478 D481 L482 L529 V543 E546 M547 K552 R553 I554M478-L550 HydrophobicContact SD-CD1 4.28Å; D481-L550 HydrophobicContact CB-CD1 4.28Å; D481-L550 HydrophobicContact CB-CD2 4.48Å; L482-L550 HydrophobicContact CB-CD1 4.34Å; L482-L550 HydrophobicContact CG-CD1 3.9Å; L529-L550 HydrophobicContact CD2-CD2 4.13Å; L529-L550 HydrophobicContact CD2-CG 4.28Å; V543-L550 HydrophobicContact CB-CD2 3.92Å; V543-L550 HydrophobicContact CG1-CD2 3.41Å; V543-L550 VanDerWaalsContact CG1-CD2 3.41Å; V543-L550 HydrophobicContact CG2-CD2 4.29Å; E546-L550 PolarHBondContact O-N 3.29Å; E546-L550 VanDerWaalsContact O-N 3.07Å; M547-L550 PolarHBondContact O-N 3.08Å; L550-K552 VanDerWaalsContact C-N 3.32Å; L550-K552 PolarHBondContact O-N 3.1Å; L550-R553 PolarHBondContact O-N 3.17Å; L550-I554 HydrophobicContact CD1-CD1 3.94Å; L550-I554 HydrophobicContact CD1-CG1 4.37Å; L550-I554 HydrophobicContact CG-CD1 3.86Å; L550-I554 WeakPolarHBondContact O-CG1 3.35Å; L550-I554 PolarHBondContact O-N 3.21Å
551E95.1Very high91.1Very high33 Ų3349.3 Ų49.315%0.15425%0.252CS..Hα-helixtrans-56.4-47.5177.8176.5174.6156.500110.9L522 L529 M547 R553 I554 R555L522-E551 HydrophobicContact CD1-CG 4.43Å; L529-E551 HydrophobicContact CB-CB 3.87Å; L529-E551 HydrophobicContact CB-CG 3.83Å; L529-E551 VanDerWaalsContact CB-OE2 3.3Å; L529-E551 WeakPolarHBondContact CB-OE2 3.37Å; L529-E551 HydrophobicContact CD2-CB 4.1Å; L529-E551 VanDerWaalsContact N-CD 3.33Å; L529-E551 PolarHBondContact N-OE2 2.94Å; M547-E551 VanDerWaalsContact O-CB 3.3Å; M547-E551 WeakPolarHBondContact O-CB 3.45Å; M547-E551 PolarHBondContact O-N 3.35Å; E551-R553 VanDerWaalsContact C-N 3.32Å; E551-R553 PolarHBondContact O-N 3.17Å; E551-I554 PolarHBondContact O-N 3.26Å; E551-R555 HydrophobicContact CG-CG 4.28Å; E551-R555 WeakPolarHBondContact O-CB 3.33Å; E551-R555 WeakPolarHBondContact O-CG 3.39Å; E551-R555 PolarHBondContact O-N 3.24Å; E551-R555 IonicContact OE1-CZ 3.55Å; E551-R555 IonicContact OE1-NE 2.63Å; E551-R555 PolarHBondContact OE1-NE 2.98Å; E551-R555 IonicContact OE1-NH2 3.95Å; E551-R555 PolarHBondContact OE1-NH2 3.37Å
552K92.6Very high90.6Very high52 Ų5254.6 Ų54.623%0.22627%0.271CS..Hα-helixtrans-55.2-46.3178.6176.2-177.9159.8-156.60111.6E548 E549 L550 R555 M556E548-K552 VanDerWaalsContact O-CB 3.24Å; E548-K552 WeakPolarHBondContact O-CB 3.28Å; E548-K552 PolarHBondContact O-N 2.67Å; E549-K552 IonicContact OE2-NZ 3.77Å; E549-K552 PolarHBondContact OE2-NZ 3.4Å; E549-K552 VanDerWaalsContact OE2-NZ 3.12Å; L550-K552 VanDerWaalsContact C-N 3.32Å; L550-K552 PolarHBondContact O-N 3.1Å; K552-R555 PolarHBondContact O-N 3.08Å; K552-M556 HydrophobicContact CD-CE 4.13Å; K552-M556 HydrophobicContact CG-CE 3.51Å; K552-M556 HydrophobicContact CG-SD 4.31Å; K552-M556 WeakPolarHBondContact O-CG 3.43Å; K552-M556 PolarHBondContact O-N 3.35Å; K552-M556 VanDerWaalsContact O-N 3.12Å
553R94.2Very high90.4Very high13 Ų1352.8 Ų52.85%0.04926%0.255CS..Hα-helixtrans-68.5-42179.6-69.5-178.1-177.2-151.89.3112.6D454 L482 E549 L550 E551 R555 M556 D557D454-R553 VanDerWaalsContact CG-NH1 3.35Å; D454-R553 IonicContact OD1-CZ 2.71Å; D454-R553 IonicContact OD1-NH1 2.56Å; D454-R553 PolarHBondContact OD1-NH1 2.95Å; D454-R553 IonicContact OD2-CZ 3.6Å; D454-R553 IonicContact OD2-NH1 3.67Å; D454-R553 PolarHBondContact OD2-NH1 3.48Å; D454-R553 IonicContact OD2-NH2 2.7Å; D454-R553 PolarHBondContact OD2-NH2 3.4Å; L482-R553 HydrophobicContact CD1-CB 4.1Å; L482-R553 HydrophobicContact CD2-CB 4.15Å; L482-R553 HydrophobicContact CG-CB 4.46Å; E549-R553 WeakPolarHBondContact O-CG 3.18Å; E549-R553 PolarHBondContact O-N 3.12Å; E549-R553 VanDerWaalsContact O-N 3.1Å; E549-R553 IonicContact OE1-CZ 3.4Å; E549-R553 IonicContact OE1-NE 2.7Å; E549-R553 PolarHBondContact OE1-NE 2.69Å; E549-R553 IonicContact OE1-NH2 3.47Å; E549-R553 PolarHBondContact OE1-NH2 2.92Å; L550-R553 PolarHBondContact O-N 3.17Å; E551-R553 VanDerWaalsContact C-N 3.32Å; E551-R553 PolarHBondContact O-N 3.17Å; R553-R555 VanDerWaalsContact C-N 3.33Å; R553-R555 PolarHBondContact O-N 3.36Å; R553-M556 WeakPolarHBondContact O-CB 3.29Å; R553-M556 PolarHBondContact O-N 3.11Å; R553-D557 PolarHBondContact O-N 2.87Å
554I95.4Very high90.3Very high0 Ų052.8 Ų52.80%025%0.254CS..Hα-helixtrans-60.5-44.1175.9-66.3171.7000110.4L482 M485 L489 F519 L522 L529 L550 E551 M556 D557 S558L482-I554 HydrophobicContact CD2-CG1 3.73Å; M485-I554 HydrophobicContact CB-CD1 3.96Å; M485-I554 HydrophobicContact CG-CD1 3.53Å; L489-I554 HydrophobicContact CD1-CD1 4.16Å; L489-I554 HydrophobicContact CD1-CG2 3.8Å; F519-I554 HydrophobicContact CD2-CG2 3.89Å; F519-I554 HydrophobicContact CE2-CG2 3.77Å; L522-I554 HydrophobicContact CD1-CG2 4.21Å; L522-I554 HydrophobicContact CD2-CG2 3.89Å; L529-I554 HydrophobicContact CD2-CD1 4.28Å; L550-I554 HydrophobicContact CD1-CD1 3.94Å; L550-I554 HydrophobicContact CD1-CG1 4.37Å; L550-I554 HydrophobicContact CG-CD1 3.86Å; L550-I554 WeakPolarHBondContact O-CG1 3.35Å; L550-I554 PolarHBondContact O-N 3.21Å; E551-I554 PolarHBondContact O-N 3.26Å; I554-M556 VanDerWaalsContact C-N 3.31Å; I554-M556 PolarHBondContact O-N 2.87Å; I554-D557 PolarHBondContact O-N 2.8Å; I554-S558 VanDerWaalsContact O-CB 3.3Å; I554-S558 WeakPolarHBondContact O-CB 3.48Å; I554-S558 PolarHBondContact O-N 2.82Å
555R93Very high90.2Very high49 Ų4953.6 Ų53.619%0.18525%0.252CS..Hα-helixtrans-57.2-44.1175-75.8179.4178.9-97.910.7111.7L522 D526 I527 E551 K552 R553 S558 H559L522-R555 HydrophobicContact CD2-CB 4.06Å; L522-R555 HydrophobicContact CD2-CG 3.26Å; L522-R555 HydrophobicContact CG-CG 3.96Å; L522-R555 VanDerWaalsContact O-CZ 3.32Å; L522-R555 PolarHBondContact O-NH1 3.35Å; D526-R555 PolarHBondContact O-NH2 2.7Å; D526-R555 IonicContact OD1-CZ 2.87Å; D526-R555 IonicContact OD1-NH1 3.95Å; D526-R555 PolarHBondContact OD1-NH1 3.38Å; D526-R555 IonicContact OD1-NH2 3.81Å; D526-R555 PolarHBondContact OD1-NH2 2.86Å; I527-R555 PolarHBondContact O-NH2 3.12Å; I527-R555 VanDerWaalsContact O-NH2 3.12Å; E551-R555 HydrophobicContact CG-CG 4.28Å; E551-R555 WeakPolarHBondContact O-CB 3.33Å; E551-R555 WeakPolarHBondContact O-CG 3.39Å; E551-R555 PolarHBondContact O-N 3.24Å; E551-R555 IonicContact OE1-CZ 3.55Å; E551-R555 IonicContact OE1-NE 2.63Å; E551-R555 PolarHBondContact OE1-NE 2.98Å; E551-R555 IonicContact OE1-NH2 3.95Å; E551-R555 PolarHBondContact OE1-NH2 3.37Å; K552-R555 PolarHBondContact O-N 3.08Å; R553-R555 VanDerWaalsContact C-N 3.33Å; R553-R555 PolarHBondContact O-N 3.36Å; R555-S558 PolarHBondContact O-N 3.21Å; R555-H559 WeakPolarHBondContact O-CB 3.45Å; R555-H559 PolarHBondContact O-N 2.7Å
556M91.4Very high89.9Confident9 Ų955.8 Ų55.84%0.04427%0.273CS..Hα-helixtrans-65-43.8179.8-67.2174.1177.700112.5P96 W99 D451 K552 R553 I554 S558 H559 Y560P96-M556 HydrophobicContact CB-CB 4.45Å; P96-M556 HydrophobicContact CB-CE 4.35Å; P96-M556 HydrophobicContact CB-CG 4.01Å; P96-M556 HydrophobicContact CB-SD 4.07Å; P96-M556 HydrophobicContact CG-CB 4.11Å; P96-M556 HydrophobicContact CG-CE 4.21Å; P96-M556 HydrophobicContact CG-CG 3.54Å; P96-M556 HydrophobicContact CG-SD 4.17Å; W99-M556 HydrophobicContact CE3-CE 4.14Å; W99-M556 HydrophobicContact CH2-CE 3.3Å; W99-M556 HydrophobicContact CZ2-CE 4.39Å; W99-M556 HydrophobicContact CZ3-CE 3.15Å; D451-M556 HydrophobicContact CB-SD 3.54Å; D451-M556 VanDerWaalsContact CB-SD 3.54Å; K552-M556 HydrophobicContact CD-CE 4.13Å; K552-M556 HydrophobicContact CG-CE 3.51Å; K552-M556 HydrophobicContact CG-SD 4.31Å; K552-M556 WeakPolarHBondContact O-CG 3.43Å; K552-M556 PolarHBondContact O-N 3.35Å; K552-M556 VanDerWaalsContact O-N 3.12Å; R553-M556 WeakPolarHBondContact O-CB 3.29Å; R553-M556 PolarHBondContact O-N 3.11Å; I554-M556 VanDerWaalsContact C-N 3.31Å; I554-M556 PolarHBondContact O-N 2.87Å; M556-S558 VanDerWaalsContact C-N 3.35Å; M556-H559 PolarHBondContact O-N 3.19Å; M556-Y560 WeakPolarHBondContact O-CD2 3.35Å; M556-Y560 PolarHBondContact O-N 3.45Å
557D90.9Very high89.7Confident49 Ų4952 Ų5226%0.26226%0.256SS..Hα-helixtrans-66.4-39.8176.9-76.7-22.4000111.4R449 R553 I554 H559 Y560 E561R449-D557 IonicContact CZ-OD1 2.95Å; R449-D557 IonicContact NH1-OD1 3.81Å; R449-D557 IonicContact NH2-OD1 3.79Å; R449-D557 PolarHBondContact NH2-OD1 2.96Å; R553-D557 PolarHBondContact O-N 2.87Å; I554-D557 PolarHBondContact O-N 2.8Å; D557-H559 PolarHBondContact O-N 3.07Å; D557-Y560 PolarHBondContact O-N 2.94Å; D557-E561 PolarHBondContact O-N 2.77Å
558S89.1Confident89.6Confident8 Ų853.1 Ų53.16%0.05626%0.26CS..Hα-helixtrans-61.2-44.3176.4-1750000112.2F519 S523 I554 R555 M556 Y560 E561F519-S558 WeakPolarHBondContact CE1-OG 3.39Å; F519-S558 PolarHBondContact O-OG 3.4Å; S523-S558 VanDerWaalsContact CB-OG 3.3Å; S523-S558 WeakPolarHBondContact CB-OG 3.38Å; S523-S558 PolarHBondContact OG-OG 3Å; I554-S558 VanDerWaalsContact O-CB 3.3Å; I554-S558 WeakPolarHBondContact O-CB 3.48Å; I554-S558 PolarHBondContact O-N 2.82Å; R555-S558 PolarHBondContact O-N 3.21Å; M556-S558 VanDerWaalsContact C-N 3.35Å; S558-Y560 PolarHBondContact O-N 3.2Å; S558-Y560 VanDerWaalsContact O-N 3.14Å; S558-E561 PolarHBondContact O-N 3.42Å
559H86.2Confident89.3Confident126 Ų12650.6 Ų50.658%0.58326%0.259SS*.Hα-helixtrans-59.8-28.4179.1-168.574.9000113.6R555 M556 D557R555-H559 WeakPolarHBondContact O-CB 3.45Å; R555-H559 PolarHBondContact O-N 2.7Å; M556-H559 PolarHBondContact O-N 3.19Å; D557-H559 PolarHBondContact O-N 3.07Å
560Y88.7Confident89.2Confident23 Ų2356.3 Ų56.39%0.0928%0.279CS..Hα-helixtrans-110.71.6-175.7-67.8-58.9000114.8G95 P96 A97 I446 M556 D557 S558 F562 V563 L564G95-Y560 VanDerWaalsContact C-OH 3.29Å; G95-Y560 WeakPolarHBondContact CA-OH 3.33Å; P96-Y560 HydrophobicContact CB-CE2 3.99Å; P96-Y560 WeakPolarHBondContact CD-OH 3.36Å; P96-Y560 HydrophobicContact CG-CE2 3.91Å; A97-Y560 HydrophobicContact CB-CE1 4.41Å; A97-Y560 HydrophobicContact CB-CE2 4.15Å; A97-Y560 PolarHBondContact N-OH 2.82Å; I446-Y560 HydrophobicContact CG2-CD1 3.54Å; I446-Y560 HydrophobicContact CG2-CD2 4.31Å; I446-Y560 HydrophobicContact CG2-CE1 4.22Å; I446-Y560 HydrophobicContact CG2-CG 3.59Å; M556-Y560 WeakPolarHBondContact O-CD2 3.35Å; M556-Y560 PolarHBondContact O-N 3.45Å; D557-Y560 PolarHBondContact O-N 2.94Å; S558-Y560 PolarHBondContact O-N 3.2Å; S558-Y560 VanDerWaalsContact O-N 3.14Å; Y560-F562 VanDerWaalsContact C-N 3.33Å; Y560-F562 PolarHBondContact O-N 2.91Å; Y560-V563 PolarHBondContact O-N 3.27Å; Y560-V563 VanDerWaalsContact O-N 3.07Å; Y560-L564 WeakPolarHBondContact O-CG 3.24Å; Y560-L564 PolarHBondContact O-N 3.03Å
561E87.8Confident89.1Confident30 Ų3056.4 Ų56.414%0.1428%0.279CS..Hα-helixtrans-52-48.7-170.8177.4167.6170.100112.9R490 F519 D557 S558 V563 L564 K565R490-E561 IonicContact CZ-OE1 3.34Å; R490-E561 IonicContact CZ-OE2 2.73Å; R490-E561 IonicContact NE-OE1 2.77Å; R490-E561 IonicContact NE-OE2 3.18Å; R490-E561 IonicContact NH2-OE1 3.45Å; R490-E561 PolarHBondContact NH2-OE1 3.29Å; R490-E561 IonicContact NH2-OE2 2.75Å; R490-E561 PolarHBondContact NH2-OE2 2.75Å; F519-E561 WeakPolarHBondContact CE1-OE2 3.23Å; D557-E561 PolarHBondContact O-N 2.77Å; S558-E561 PolarHBondContact O-N 3.42Å; E561-V563 VanDerWaalsContact C-N 3.33Å; E561-V563 PolarHBondContact O-N 3.43Å; E561-L564 PolarHBondContact O-N 3.45Å; E561-K565 HydrophobicContact CG-CD 4.36Å; E561-K565 WeakPolarHBondContact O-CG 3.16Å; E561-K565 PolarHBondContact O-N 3.03Å; E561-K565 WeakPolarHBondContact OE1-CE 3.34Å; E561-K565 IonicContact OE1-NZ 3.44Å; E561-K565 PolarHBondContact OE1-NZ 3.19Å
562F84.4Confident88.9Confident153 Ų15358 Ų5867%0.67129%0.287SS*.Hα-helixtrans-62.2-41.2-177.6-63.9-76.4000112.4Y560 A566Y560-F562 VanDerWaalsContact C-N 3.33Å; Y560-F562 PolarHBondContact O-N 2.91Å; F562-A566 PolarHBondContact O-N 2.71Å
563V86Confident88.8Confident66 Ų6660.6 Ų60.640%0.430%0.3SS..Hα-helixtrans-74.5-38.4-178.5-169.30000110.6I446 Y560 E561 K565 A566 D567I446-V563 HydrophobicContact CD1-CB 4.14Å; I446-V563 HydrophobicContact CD1-CG1 3.4Å; I446-V563 VanDerWaalsContact CD1-CG1 3.4Å; Y560-V563 PolarHBondContact O-N 3.27Å; Y560-V563 VanDerWaalsContact O-N 3.07Å; E561-V563 VanDerWaalsContact C-N 3.33Å; E561-V563 PolarHBondContact O-N 3.43Å; V563-K565 PolarHBondContact O-N 3.37Å; V563-A566 PolarHBondContact O-N 2.56Å; V563-D567 PolarHBondContact O-N 3.21Å
564L86.7Confident88.6Confident31 Ų3161.4 Ų61.416%0.16231%0.305CS..Hα-helixtrans-62.7-39.8176.8-72.1172.5000112.4I446 Y447 Y560 E561 A566 D567 Q568I446-L564 HydrophobicContact CG2-CD2 3.84Å; I446-L564 HydrophobicContact CG2-CG 4.07Å; Y447-L564 HydrophobicContact CD2-CD2 4.1Å; Y560-L564 WeakPolarHBondContact O-CG 3.24Å; Y560-L564 PolarHBondContact O-N 3.03Å; E561-L564 PolarHBondContact O-N 3.45Å; L564-A566 VanDerWaalsContact C-N 3.3Å; L564-A566 PolarHBondContact O-N 3.2Å; L564-D567 PolarHBondContact O-N 3.07Å; L564-Q568 PolarHBondContact O-N 2.95Å; L564-Q568 VanDerWaalsContact O-N 3.11Å
565K85.7Confident88.4Confident135 Ų13565.6 Ų65.659%0.58732%0.321SS*.Hα-helixtrans-61.6-38.3174.8-75.8179.9-176.9170.50112.2E561 V563E561-K565 HydrophobicContact CG-CD 4.36Å; E561-K565 WeakPolarHBondContact O-CG 3.16Å; E561-K565 PolarHBondContact O-N 3.03Å; E561-K565 WeakPolarHBondContact OE1-CE 3.34Å; E561-K565 IonicContact OE1-NZ 3.44Å; E561-K565 PolarHBondContact OE1-NZ 3.19Å; V563-K565 PolarHBondContact O-N 3.37Å
566A81.4Confident88.3Confident71 Ų7170.6 Ų70.659%0.58734%0.339SS*.Hα-helixtrans-69.9-36.5177.200000112.4F562 V563 L564F562-A566 PolarHBondContact O-N 2.71Å; V563-A566 PolarHBondContact O-N 2.56Å; L564-A566 VanDerWaalsContact C-N 3.3Å; L564-A566 PolarHBondContact O-N 3.2Å
567D86.2Confident88.2Confident24 Ų2471.8 Ų71.813%0.12835%0.346CS..Hα-helixtrans-74-24.4-179.9-87-9.6000113.5F444 V563 L564 A569 R570 I571F444-D567 HydrophobicContact CD1-CB 4.31Å; V563-D567 PolarHBondContact O-N 3.21Å; L564-D567 PolarHBondContact O-N 3.07Å; D567-A569 PolarHBondContact O-N 2.77Å; D567-R570 WeakPolarHBondContact O-CB 3.39Å; D567-R570 PolarHBondContact O-N 3.19Å; D567-R570 VanDerWaalsContact O-N 3.1Å; D567-I571 WeakPolarHBondContact O-CG1 3.46Å; D567-I571 PolarHBondContact O-N 3Å
568Q87.9Confident88.2Confident79 Ų7971 Ų7137%0.36934%0.34SS..Hα-helixtrans-53.1-53.2-176.3-163.764.236.300111.7L564 R570 I571 E572L564-Q568 PolarHBondContact O-N 2.95Å; L564-Q568 VanDerWaalsContact O-N 3.11Å; Q568-R570 VanDerWaalsContact C-N 3.26Å; Q568-R570 PolarHBondContact O-N 2.91Å; Q568-I571 WeakPolarHBondContact O-CA 3.41Å; Q568-I571 VanDerWaalsContact O-CB 3.28Å; Q568-I571 WeakPolarHBondContact O-CB 3.45Å; Q568-I571 PolarHBondContact O-N 3.35Å; Q568-E572 PolarHBondContact NE2-OE1 2.91Å; Q568-E572 PolarHBondContact O-N 2.95Å
569A87Confident88.3Confident64 Ų6474.4 Ų74.453%0.52936%0.364SS..Hα-helixtrans-58.2-36.4-179.400000113.4D567 E572 E573D567-A569 PolarHBondContact O-N 2.77Å; A569-E572 WeakPolarHBondContact CA-OE2 3.35Å; A569-E572 PolarHBondContact N-OE2 3.32Å; A569-E572 PolarHBondContact O-N 2.86Å; A569-E573 PolarHBondContact O-N 3.21Å
570R89.9Confident88.5Confident168 Ų16870.2 Ų70.263%0.63435%0.346SS*.Hα-helixtrans-69.2-37.4174-99-177176.3162.91112.2F444 D567 Q568 E573 L574F444-R570 HydrophobicContact CE1-CB 3.82Å; F444-R570 HydrophobicContact CZ-CB 4.18Å; D567-R570 WeakPolarHBondContact O-CB 3.39Å; D567-R570 PolarHBondContact O-N 3.19Å; D567-R570 VanDerWaalsContact O-N 3.1Å; Q568-R570 VanDerWaalsContact C-N 3.26Å; Q568-R570 PolarHBondContact O-N 2.91Å; R570-E573 PolarHBondContact O-N 3.47Å; R570-L574 PolarHBondContact O-N 3.43Å
571I90.8Very high88.6Confident2 Ų275.2 Ų75.21%0.0136%0.364CS..Hα-helixtrans-60.7-46.7173.7-70.1170.9000109.7T415 F444 Y447 D567 Q568 E573 L574 R575T415-I571 HydrophobicContact CG2-CG2 4.39Å; F444-I571 HydrophobicContact CD1-CD1 4Å; F444-I571 HydrophobicContact CD1-CG1 3.45Å; F444-I571 VanDerWaalsContact CD1-CG1 3.45Å; F444-I571 HydrophobicContact CD2-CG1 4.05Å; F444-I571 HydrophobicContact CE1-CB 4.4Å; F444-I571 HydrophobicContact CE1-CD1 4.39Å; F444-I571 HydrophobicContact CE1-CG1 3.39Å; F444-I571 HydrophobicContact CE2-CG1 4Å; F444-I571 HydrophobicContact CG-CD1 4.2Å; F444-I571 HydrophobicContact CG-CG1 3.77Å; F444-I571 HydrophobicContact CZ-CB 4.38Å; F444-I571 HydrophobicContact CZ-CG1 3.67Å; Y447-I571 HydrophobicContact CD1-CD1 4.21Å; Y447-I571 HydrophobicContact CD2-CD1 4.48Å; Y447-I571 HydrophobicContact CG-CD1 4.08Å; D567-I571 WeakPolarHBondContact O-CG1 3.46Å; D567-I571 PolarHBondContact O-N 3Å; Q568-I571 WeakPolarHBondContact O-CA 3.41Å; Q568-I571 VanDerWaalsContact O-CB 3.28Å; Q568-I571 WeakPolarHBondContact O-CB 3.45Å; Q568-I571 PolarHBondContact O-N 3.35Å; I571-E573 PolarHBondContact O-N 3.45Å; I571-L574 PolarHBondContact O-N 3.39Å; I571-R575 HydrophobicContact CG2-CG 4.43Å; I571-R575 VanDerWaalsContact CG2-CZ 3.4Å; I571-R575 WeakPolarHBondContact O-CB 3.32Å; I571-R575 VanDerWaalsContact O-CG 3.28Å; I571-R575 WeakPolarHBondContact O-CG 3.32Å; I571-R575 PolarHBondContact O-N 3.43Å
572E91.6Very high88.7Confident67 Ų6774.2 Ų74.231%0.31336%0.36SS..Hα-helixtrans-64.4-37.4177.1-80.387-128.500113.4Q568 A569 R576Q568-E572 PolarHBondContact NE2-OE1 2.91Å; Q568-E572 PolarHBondContact O-N 2.95Å; A569-E572 WeakPolarHBondContact CA-OE2 3.35Å; A569-E572 PolarHBondContact N-OE2 3.32Å; A569-E572 PolarHBondContact O-N 2.86Å; E572-R576 WeakPolarHBondContact O-CG 3.48Å; E572-R576 PolarHBondContact O-N 2.99Å; E572-R576 VanDerWaalsContact O-N 3.15Å; E572-R576 PolarHBondContact O-NE 3.01Å; E572-R576 VanDerWaalsContact O-NE 3.08Å
573E89.8Confident88.8Confident106 Ų10670.1 Ų70.150%0.49534%0.343SS..Hα-helixtrans-62.1-51.8174.3-175.8176.9-157.500110.8A569 R570 I571 R575 R576 D577A569-E573 PolarHBondContact O-N 3.21Å; R570-E573 PolarHBondContact O-N 3.47Å; I571-E573 PolarHBondContact O-N 3.45Å; E573-R575 VanDerWaalsContact C-N 3.31Å; E573-R575 PolarHBondContact O-N 3.01Å; E573-R576 WeakPolarHBondContact O-CB 3.13Å; E573-R576 PolarHBondContact O-N 3.45Å; E573-D577 PolarHBondContact O-N 3.1Å
574L90.3Very high88.6Confident30 Ų3070.8 Ų70.816%0.15734%0.344CS..Hα-helixtrans-63.1-39.3-179.6-164.363.5000111.6R414 T415 F444 R570 I571 R576 D577 Y578R414-L574 HydrophobicContact CG-CD2 4.08Å; T415-L574 HydrophobicContact CG2-CB 4.13Å; T415-L574 HydrophobicContact CG2-CD2 3.89Å; T415-L574 HydrophobicContact CG2-CG 4.24Å; F444-L574 HydrophobicContact CE2-CD2 3.69Å; F444-L574 HydrophobicContact CZ-CB 4.49Å; F444-L574 HydrophobicContact CZ-CD2 4.27Å; R570-L574 PolarHBondContact O-N 3.43Å; I571-L574 PolarHBondContact O-N 3.39Å; L574-R576 VanDerWaalsContact C-N 3.28Å; L574-R576 PolarHBondContact O-N 2.9Å; L574-D577 PolarHBondContact O-N 2.92Å; L574-D577 VanDerWaalsContact O-N 3.16Å; L574-Y578 HydrophobicContact CD1-CD2 4.11Å; L574-Y578 HydrophobicContact CD1-CE2 3.78Å; L574-Y578 HydrophobicContact CD2-CE2 4.34Å; L574-Y578 HydrophobicContact CG-CD2 3.93Å; L574-Y578 HydrophobicContact CG-CE2 3.86Å; L574-Y578 VanDerWaalsContact O-CD2 3.32Å; L574-Y578 WeakPolarHBondContact O-CD2 3.3Å; L574-Y578 PolarHBondContact O-N 3.46Å
575R91.5Very high88.5Confident88 Ų8875.2 Ų75.233%0.33237%0.368SS..Hα-helixtrans-59.2-38.9175-77.7177.1-178165.15.6112.3T415 I571 E573 Y578 S579T415-R575 HydrophobicContact CG2-CG 4.08Å; T415-R575 PolarHBondContact OG1-NE 3.36Å; T415-R575 PolarHBondContact OG1-NH2 3.49Å; I571-R575 HydrophobicContact CG2-CG 4.43Å; I571-R575 VanDerWaalsContact CG2-CZ 3.4Å; I571-R575 WeakPolarHBondContact O-CB 3.32Å; I571-R575 VanDerWaalsContact O-CG 3.28Å; I571-R575 WeakPolarHBondContact O-CG 3.32Å; I571-R575 PolarHBondContact O-N 3.43Å; E573-R575 VanDerWaalsContact C-N 3.31Å; E573-R575 PolarHBondContact O-N 3.01Å; R575-Y578 PolarHBondContact O-N 3.48Å; R575-S579 WeakPolarHBondContact O-CB 3.45Å; R575-S579 PolarHBondContact O-N 3.17Å
576R91.3Very high88.7Confident153 Ų15368.9 Ų68.958%0.57734%0.34SS*.Hα-helixtrans-61.3-44.9174.7-77.8175.6-87.7158.9-9.9111.1E572 E573 L574 Y578 S579 L580E572-R576 WeakPolarHBondContact O-CG 3.48Å; E572-R576 PolarHBondContact O-N 2.99Å; E572-R576 VanDerWaalsContact O-N 3.15Å; E572-R576 PolarHBondContact O-NE 3.01Å; E572-R576 VanDerWaalsContact O-NE 3.08Å; E573-R576 WeakPolarHBondContact O-CB 3.13Å; E573-R576 PolarHBondContact O-N 3.45Å; L574-R576 VanDerWaalsContact C-N 3.28Å; L574-R576 PolarHBondContact O-N 2.9Å; R576-Y578 PolarHBondContact O-N 2.86Å; R576-S579 WeakPolarHBondContact O-CB 3.3Å; R576-S579 PolarHBondContact O-N 3.34Å; R576-S579 PolarHBondContact O-OG 3.12Å; R576-L580 PolarHBondContact O-N 2.69Å
577D90Very high89.2Confident34 Ų3467.8 Ų67.818%0.18232%0.324CS..Hα-helixtrans-65.6-36.2178.3-65.4-23000113.2E573 L574 L580 G610E573-D577 PolarHBondContact O-N 3.1Å; L574-D577 PolarHBondContact O-N 2.92Å; L574-D577 VanDerWaalsContact O-N 3.16Å; D577-L580 PolarHBondContact O-N 2.95Å; D577-G610 PolarHBondContact O-N 3.3Å; D577-G610 VanDerWaalsContact O-N 3.14Å
578Y90.4Very high89.6Confident32 Ų3266.7 Ų66.713%0.12532%0.319CS..Hα-helixtrans-74.1-24.6175.1-84.4-98.5000113.3R414 D424 L574 R575 R576 L580 T608 G610 A611 R614R414-Y578 VanDerWaalsContact CD-CZ 3.47Å; R414-Y578 VanDerWaalsContact CD-OH 3.24Å; R414-Y578 WeakPolarHBondContact CD-OH 3.48Å; R414-Y578 HydrophobicContact CG-CE2 4.39Å; D424-Y578 WeakPolarHBondContact OD2-CE1 3.38Å; D424-Y578 PolarHBondContact OD2-OH 3.26Å; L574-Y578 HydrophobicContact CD1-CD2 4.11Å; L574-Y578 HydrophobicContact CD1-CE2 3.78Å; L574-Y578 HydrophobicContact CD2-CE2 4.34Å; L574-Y578 HydrophobicContact CG-CD2 3.93Å; L574-Y578 HydrophobicContact CG-CE2 3.86Å; L574-Y578 VanDerWaalsContact O-CD2 3.32Å; L574-Y578 WeakPolarHBondContact O-CD2 3.3Å; L574-Y578 PolarHBondContact O-N 3.46Å; R575-Y578 PolarHBondContact O-N 3.48Å; R576-Y578 PolarHBondContact O-N 2.86Å; Y578-L580 PolarHBondContact O-N 3.49Å; Y578-T608 HydrophobicContact CD1-CG2 4.38Å; Y578-T608 WeakPolarHBondContact O-CG2 3.38Å; Y578-G610 VanDerWaalsContact CZ-C 3.47Å; Y578-G610 PolarHBondContact OH-O 2.99Å; Y578-A611 HydrophobicContact CE1-CB 4.47Å; Y578-R614 WeakPolarHBondContact OH-CD 3.3Å; Y578-R614 PolarHBondContact OH-NE 2.91Å
579S90.1Very high89.8Confident81 Ų8167.8 Ų67.857%0.56633%0.327SS*.Hα-helixtrans-69.9-22.2173.777.80000113.3R575 R576 R581R575-S579 WeakPolarHBondContact O-CB 3.45Å; R575-S579 PolarHBondContact O-N 3.17Å; R576-S579 WeakPolarHBondContact O-CB 3.3Å; R576-S579 PolarHBondContact O-N 3.34Å; R576-S579 PolarHBondContact O-OG 3.12Å; S579-R581 PolarHBondContact O-N 2.97Å; S579-R581 VanDerWaalsContact O-N 3.1Å
580L91Very high90.1Very high38 Ų3872.9 Ų72.920%0.19934%0.337CS..SBendtrans-78.894.5177-64.2176.2000109.6R576 D577 Y578 T608 I609 M627R576-L580 PolarHBondContact O-N 2.69Å; D577-L580 PolarHBondContact O-N 2.95Å; Y578-L580 PolarHBondContact O-N 3.49Å; L580-T608 VanDerWaalsContact O-CA 3.29Å; L580-T608 WeakPolarHBondContact O-CA 3.39Å; L580-I609 HydrophobicContact CB-CB 4.09Å; L580-I609 HydrophobicContact CB-CG1 3.59Å; L580-I609 HydrophobicContact CD1-CG1 4.17Å; L580-I609 PolarHBondContact O-N 3.47Å; L580-M627 HydrophobicContact CD1-CG 4.33Å
581R90.8Very high90.2Very high128 Ų12866 Ų6648%0.48331%0.313SS..BIsolated β-bridgetrans-73.3146.2-179.5-66.6-73.4-178.5172.53112S579 S630S579-R581 PolarHBondContact O-N 2.97Å; S579-R581 VanDerWaalsContact O-N 3.1Å; R581-S630 PolarHBondContact O-OG 2.92Å
582L91Very high90.3Very high9 Ų972.5 Ų72.55%0.04735%0.348CS..  trans-111.3139.1166.9-65.4173.8000108.2L586 P606 Q607 I609 A612 L626L582-L586 HydrophobicContact CD2-CD2 4.07Å; L582-P606 HydrophobicContact CD1-CG 4.14Å; L582-Q607 PolarHBondContact N-O 3.02Å; L582-I609 HydrophobicContact CD1-CD1 4.27Å; L582-I609 HydrophobicContact CD2-CD1 3.85Å; L582-I609 HydrophobicContact CG-CD1 4.2Å; L582-A612 HydrophobicContact CD1-CB 4.44Å; L582-L626 HydrophobicContact CD2-CB 4.44Å; L582-L626 HydrophobicContact CD2-CD2 4.33Å
583Q86.2Confident90.4Very high67 Ų6770.4 Ų70.431%0.31334%0.338SS..  trans-70.7143.6174.9-83.5-176-22.600111.9D585 L586 Q633Q583-D585 VanDerWaalsContact C-N 3.26Å; Q583-D585 WeakPolarHBondContact CB-OD1 3.22Å; Q583-D585 PolarHBondContact O-N 3.04Å; Q583-L586 VanDerWaalsContact O-CB 3.26Å; Q583-L586 WeakPolarHBondContact O-CB 3.3Å; Q583-L586 PolarHBondContact O-N 3.41Å; Q583-Q633 VanDerWaalsContact CG-OE1 3.31Å; Q583-Q633 VanDerWaalsContact NE2-NE2 3.16Å
584D80.7Confident90.7Very high80 Ų8068.2 Ų68.243%0.42834%0.335SS..THydrogen-bonded Turntrans-64.4-30.5179.9-73.1-29.8000112.6R605D584-R605 PolarHBondContact O-NH1 2.89Å; D584-R605 VanDerWaalsContact O-NH1 3.12Å
585D84.4Confident90.9Very high123 Ų12370.7 Ų70.766%0.65836%0.359SS*.THydrogen-bonded Turntrans-95.513.7179.667.7-29.5000113.6Q583 D587Q583-D585 VanDerWaalsContact C-N 3.26Å; Q583-D585 WeakPolarHBondContact CB-OD1 3.22Å; Q583-D585 PolarHBondContact O-N 3.04Å; D585-D587 PolarHBondContact O-N 3.33Å; D585-D587 VanDerWaalsContact O-N 3.12Å
586L90.4Very high91.1Very high3 Ų370.1 Ų70.12%0.01636%0.363CS..  trans-55.7117.9176.3175.753.2000111.3L582 Q583 Y588 L591 R605 L626 Y629L582-L586 HydrophobicContact CD2-CD2 4.07Å; Q583-L586 VanDerWaalsContact O-CB 3.26Å; Q583-L586 WeakPolarHBondContact O-CB 3.3Å; Q583-L586 PolarHBondContact O-N 3.41Å; L586-Y588 HydrophobicContact CB-CE1 4.44Å; L586-Y588 HydrophobicContact CD2-CD1 3.91Å; L586-Y588 HydrophobicContact CD2-CE1 3.44Å; L586-Y588 VanDerWaalsContact CD2-CE1 3.44Å; L586-Y588 HydrophobicContact CG-CD1 3.95Å; L586-Y588 HydrophobicContact CG-CE1 3.78Å; L586-Y588 PolarHBondContact O-N 3.25Å; L586-L591 HydrophobicContact CD1-CD1 4.38Å; L586-L591 HydrophobicContact CD2-CD1 4.39Å; L586-R605 PolarHBondContact O-NH1 3.26Å; L586-L626 HydrophobicContact CD2-CD2 4.12Å; L586-Y629 HydrophobicContact CD1-CD1 3.97Å; L586-Y629 HydrophobicContact CD1-CD2 4.33Å; L586-Y629 HydrophobicContact CD1-CE1 3.44Å; L586-Y629 VanDerWaalsContact CD1-CE1 3.44Å; L586-Y629 HydrophobicContact CD1-CE2 3.82Å; L586-Y629 HydrophobicContact CD1-CG 4.39Å; L586-Y629 HydrophobicContact CD2-CD1 4.09Å; L586-Y629 HydrophobicContact CD2-CE1 4.05Å; L586-Y629 HydrophobicContact CG-CE1 4.3Å
587D92Very high91.3Very high47 Ų4762.9 Ų62.925%0.25134%0.336SS..  trans-83.998.3171.5-178.55.5000110.5D585 N589 K590D585-D587 PolarHBondContact O-N 3.33Å; D585-D587 VanDerWaalsContact O-N 3.12Å; D587-N589 PolarHBondContact O-N 3.37Å; D587-N589 WeakPolarHBondContact OD1-CB 3.34Å; D587-N589 PolarHBondContact OD1-N 3.49Å; D587-N589 VanDerWaalsContact OD1-N 3.11Å; D587-N589 PolarHBondContact OD1-ND2 3.14Å; D587-K590 HydrophobicContact CB-CD 4.18Å; D587-K590 HydrophobicContact CB-CG 4.39Å; D587-K590 PolarHBondContact O-N 3.35Å; D587-K590 WeakPolarHBondContact OD2-CE 3.36Å; D587-K590 IonicContact OD2-NZ 3.79Å
588Y94.1Very high91.6Very high2 Ų262.6 Ų62.61%0.00833%0.334CS..G310 helixtrans-64.3-18.8-178.6-58.9-71.8000113.7L586 K590 L591 L601 W602 L626L586-Y588 HydrophobicContact CB-CE1 4.44Å; L586-Y588 HydrophobicContact CD2-CD1 3.91Å; L586-Y588 HydrophobicContact CD2-CE1 3.44Å; L586-Y588 VanDerWaalsContact CD2-CE1 3.44Å; L586-Y588 HydrophobicContact CG-CD1 3.95Å; L586-Y588 HydrophobicContact CG-CE1 3.78Å; L586-Y588 PolarHBondContact O-N 3.25Å; Y588-K590 PolarHBondContact O-N 3.4Å; Y588-L591 HydrophobicContact CD1-CD1 4.35Å; Y588-L591 PolarHBondContact O-N 3.39Å; Y588-L601 HydrophobicContact CD1-CB 3.8Å; Y588-L601 HydrophobicContact CD1-CD1 3.77Å; Y588-L601 HydrophobicContact CD1-CG 4.31Å; Y588-L601 HydrophobicContact CD2-CB 3.81Å; Y588-L601 HydrophobicContact CE1-CB 3.8Å; Y588-L601 HydrophobicContact CE1-CD1 4.08Å; Y588-L601 HydrophobicContact CE1-CD2 4.27Å; Y588-L601 HydrophobicContact CE1-CG 4.26Å; Y588-L601 HydrophobicContact CE2-CB 3.81Å; Y588-L601 WeakPolarHBondContact CE2-O 3.46Å; Y588-L601 HydrophobicContact CG-CB 3.81Å; Y588-L601 HydrophobicContact CG-CD1 4.34Å; Y588-W602 AromaticContact CD2-CD2 3.96Å; Y588-W602 HydrophobicContact CD2-CD2 3.96Å; Y588-W602 AromaticContact CD2-CE2 3.85Å; Y588-W602 HydrophobicContact CD2-CG 4.04Å; Y588-W602 HydrophobicContact CD2-CZ2 4.37Å; Y588-W602 AromaticContact CD2-NE1 3.94Å; Y588-L626 HydrophobicContact CD1-CD2 4.1Å; Y588-L626 HydrophobicContact CE1-CD2 3.94Å
589N93.6Very high91.8Very high101 Ų10167.6 Ų67.654%0.5436%0.359SS..G310 helixtrans-69.8-18.4177.9-56.9-70.4000112.6D587 L591 W602D587-N589 PolarHBondContact O-N 3.37Å; D587-N589 WeakPolarHBondContact OD1-CB 3.34Å; D587-N589 PolarHBondContact OD1-N 3.49Å; D587-N589 VanDerWaalsContact OD1-N 3.11Å; D587-N589 PolarHBondContact OD1-ND2 3.14Å; N589-L591 VanDerWaalsContact C-N 3.26Å; N589-W602 PolarHBondContact ND2-NE1 2.79Å
590K92.4Very high92Very high171 Ų17166 Ų6674%0.74334%0.342SS*.G310 helixtrans-83-3.2176.1-65.7178.1-179.2166.80113D587 Y588D587-K590 HydrophobicContact CB-CD 4.18Å; D587-K590 HydrophobicContact CB-CG 4.39Å; D587-K590 PolarHBondContact O-N 3.35Å; D587-K590 WeakPolarHBondContact OD2-CE 3.36Å; D587-K590 IonicContact OD2-NZ 3.79Å; Y588-K590 PolarHBondContact O-N 3.4Å
591L91.8Very high92.2Very high25 Ų2564.2 Ų64.213%0.13133%0.332CS..SBendtrans-103.4149.1179.6-56.5-178.5000110.1L586 Y588 N589 L593 L626 Y629L586-L591 HydrophobicContact CD1-CD1 4.38Å; L586-L591 HydrophobicContact CD2-CD1 4.39Å; Y588-L591 HydrophobicContact CD1-CD1 4.35Å; Y588-L591 PolarHBondContact O-N 3.39Å; N589-L591 VanDerWaalsContact C-N 3.26Å; L591-L593 HydrophobicContact CB-CD1 3.71Å; L591-L593 HydrophobicContact CB-CG 3.73Å; L591-L593 HydrophobicContact CD1-CD1 3.99Å; L591-L593 HydrophobicContact CG-CD1 4.46Å; L591-L593 PolarHBondContact O-N 2.88Å; L591-L626 HydrophobicContact CD1-CD2 3.67Å; L591-Y629 HydrophobicContact CD2-CD2 3.67Å; L591-Y629 HydrophobicContact CD2-CE2 4.48Å; L591-Y629 HydrophobicContact CD2-CG 4.05Å
592N93.6Very high92.3Very high138 Ų13862.2 Ų62.274%0.73833%0.325SS*.SBendtrans-7775.7176.8-17222.6000110.7
593L94.3Very high92.2Very high22 Ų2265.6 Ų65.612%0.11534%0.342CS..  trans-122.3152-175.1-62.1175.9000110.2L591 I598 L601 A622 Q625L591-L593 HydrophobicContact CB-CD1 3.71Å; L591-L593 HydrophobicContact CB-CG 3.73Å; L591-L593 HydrophobicContact CD1-CD1 3.99Å; L591-L593 HydrophobicContact CG-CD1 4.46Å; L591-L593 PolarHBondContact O-N 2.88Å; L593-I598 HydrophobicContact CB-CD1 4.11Å; L593-I598 HydrophobicContact CB-CG1 3.67Å; L593-I598 HydrophobicContact CD1-CG1 4.34Å; L593-L601 HydrophobicContact CD1-CD1 3.63Å; L593-A622 HydrophobicContact CD2-CB 3.62Å; L593-Q625 HydrophobicContact CD2-CB 3.88Å; L593-Q625 HydrophobicContact CD2-CG 4.31Å
594S94.9Very high92.4Very high61 Ų6163.4 Ų63.443%0.42733%0.332SS..  trans-67.7153.1171.766.30000111D596 C597 I598S594-D596 VanDerWaalsContact C-N 3.28Å; S594-D596 PolarHBondContact O-N 3.47Å; S594-C597 PolarHBondContact O-N 2.79Å; S594-C597 WeakPolarHBondContact OG-CB 3.3Å; S594-C597 PolarHBondContact OG-N 2.71Å; S594-C597 PolarHBondContact OG-SG 3.12Å; S594-C597 VanDerWaalsContact OG-SG 3.35Å; S594-I598 WeakPolarHBondContact O-CG1 3.45Å; S594-I598 PolarHBondContact O-N 3.43Å
595A94.9Very high92.9Very high81 Ų8162.9 Ų62.967%0.66932%0.324SS*.Hα-helixtrans-55.5-42.3178.800000112.6C597 I598 E599A595-C597 PolarHBondContact O-N 2.76Å; A595-I598 WeakPolarHBondContact O-CB 3.1Å; A595-I598 PolarHBondContact O-N 2.74Å; A595-E599 PolarHBondContact O-N 3.47Å
596D94.6Very high93.3Very high77 Ų7757.1 Ų57.141%0.41229%0.294SS..Hα-helixtrans-63-4017617267.4000112.6S594 K600S594-D596 VanDerWaalsContact C-N 3.28Å; S594-D596 PolarHBondContact O-N 3.47Å; D596-K600 WeakPolarHBondContact O-CG 3.44Å; D596-K600 PolarHBondContact O-N 2.84Å; D596-K600 VanDerWaalsContact O-N 3.13Å; D596-K600 VanDerWaalsContact OD1-CE 3.23Å; D596-K600 WeakPolarHBondContact OD1-CE 3.41Å; D596-K600 IonicContact OD1-NZ 3.16Å; D596-K600 PolarHBondContact OD1-NZ 3Å; D596-K600 IonicContact OD2-NZ 3.96Å; D596-K600 PolarHBondContact OD2-NZ 2.83Å
597C95.9Very high93.3Very high0 Ų057.8 Ų57.80%030%0.296CS..Hα-helixtrans-67.1-40.3173.9-76.90000111.7S594 A595 K600 L601 I618 A622S594-C597 PolarHBondContact O-N 2.79Å; S594-C597 WeakPolarHBondContact OG-CB 3.3Å; S594-C597 PolarHBondContact OG-N 2.71Å; S594-C597 PolarHBondContact OG-SG 3.12Å; S594-C597 VanDerWaalsContact OG-SG 3.35Å; A595-C597 PolarHBondContact O-N 2.76Å; C597-K600 PolarHBondContact O-N 3.34Å; C597-L601 WeakPolarHBondContact O-CB 3.36Å; C597-L601 WeakPolarHBondContact O-CD1 3.33Å; C597-L601 WeakPolarHBondContact O-CG 2.91Å; C597-L601 PolarHBondContact O-N 3.27Å; C597-I618 HydrophobicContact CB-CD1 4.14Å; C597-A622 HydrophobicContact CB-CB 4.24Å
598I96.2Very high93.4Very high28 Ų2855.8 Ų55.814%0.14429%0.286CS..Hα-helixtrans-60.3-49.8176.7-70.8171.8000110L593 S594 A595 K600 L601 W602L593-I598 HydrophobicContact CB-CD1 4.11Å; L593-I598 HydrophobicContact CB-CG1 3.67Å; L593-I598 HydrophobicContact CD1-CG1 4.34Å; S594-I598 WeakPolarHBondContact O-CG1 3.45Å; S594-I598 PolarHBondContact O-N 3.43Å; A595-I598 WeakPolarHBondContact O-CB 3.1Å; A595-I598 PolarHBondContact O-N 2.74Å; I598-K600 PolarHBondContact O-N 3.49Å; I598-L601 PolarHBondContact O-N 3.45Å; I598-W602 VanDerWaalsContact CG2-CD1 3.44Å; I598-W602 PolarHBondContact O-N 3.16Å
599E95.1Very high93.4Very high138 Ų13855.7 Ų55.765%0.64529%0.286SS*.Hα-helixtrans-55.9-49.3178.4-174.8-176.9165.400111.6A595 L601 W602 L603A595-E599 PolarHBondContact O-N 3.47Å; E599-L601 PolarHBondContact O-N 2.97Å; E599-W602 PolarHBondContact O-N 3.37Å; E599-L603 WeakPolarHBondContact O-CB 3.47Å; E599-L603 PolarHBondContact O-N 2.88Å
600K94.2Very high93.3Very high48 Ų4850.9 Ų50.921%0.20926%0.26CS..Hα-helixtrans-61.3-44.6177.6-73.6167.7179.6158.30112.2D596 C597 I598 W602 L603 H604 I615 P616 I618D596-K600 WeakPolarHBondContact O-CG 3.44Å; D596-K600 PolarHBondContact O-N 2.84Å; D596-K600 VanDerWaalsContact O-N 3.13Å; D596-K600 VanDerWaalsContact OD1-CE 3.23Å; D596-K600 WeakPolarHBondContact OD1-CE 3.41Å; D596-K600 IonicContact OD1-NZ 3.16Å; D596-K600 PolarHBondContact OD1-NZ 3Å; D596-K600 IonicContact OD2-NZ 3.96Å; D596-K600 PolarHBondContact OD2-NZ 2.83Å; C597-K600 PolarHBondContact O-N 3.34Å; I598-K600 PolarHBondContact O-N 3.49Å; K600-W602 PolarHBondContact O-N 2.71Å; K600-L603 PolarHBondContact O-N 3.23Å; K600-H604 WeakPolarHBondContact O-CB 3.16Å; K600-H604 PolarHBondContact O-CD2 2.63Å; K600-H604 PolarHBondContact O-N 3.1Å; K600-I615 HydrophobicContact CB-CG2 4.22Å; K600-P616 WeakPolarHBondContact CD-O 3.34Å; K600-P616 WeakPolarHBondContact CE-O 3.3Å; K600-I618 HydrophobicContact CB-CD1 3.96Å; K600-I618 HydrophobicContact CD-CD1 4.48Å
601L94.9Very high93.3Very high0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-66.2-37.3179.2-71.1167.3000112Y588 L593 C597 I598 E599 R605 P606 A612 I615 I618 L626Y588-L601 HydrophobicContact CD1-CB 3.8Å; Y588-L601 HydrophobicContact CD1-CD1 3.77Å; Y588-L601 HydrophobicContact CD1-CG 4.31Å; Y588-L601 HydrophobicContact CD2-CB 3.81Å; Y588-L601 HydrophobicContact CE1-CB 3.8Å; Y588-L601 HydrophobicContact CE1-CD1 4.08Å; Y588-L601 HydrophobicContact CE1-CD2 4.27Å; Y588-L601 HydrophobicContact CE1-CG 4.26Å; Y588-L601 HydrophobicContact CE2-CB 3.81Å; Y588-L601 WeakPolarHBondContact CE2-O 3.46Å; Y588-L601 HydrophobicContact CG-CB 3.81Å; Y588-L601 HydrophobicContact CG-CD1 4.34Å; L593-L601 HydrophobicContact CD1-CD1 3.63Å; C597-L601 WeakPolarHBondContact O-CB 3.36Å; C597-L601 WeakPolarHBondContact O-CD1 3.33Å; C597-L601 WeakPolarHBondContact O-CG 2.91Å; C597-L601 PolarHBondContact O-N 3.27Å; I598-L601 PolarHBondContact O-N 3.45Å; E599-L601 PolarHBondContact O-N 2.97Å; L601-R605 WeakPolarHBondContact O-CA 3.36Å; L601-R605 PolarHBondContact O-N 3.13Å; L601-P606 HydrophobicContact CD2-CG 3.84Å; L601-A612 HydrophobicContact CD2-CB 4.4Å; L601-I615 HydrophobicContact CD2-CD1 4.26Å; L601-I618 HydrophobicContact CD1-CD1 4.38Å; L601-I618 HydrophobicContact CD2-CD1 4.06Å; L601-I618 HydrophobicContact CG-CD1 3.82Å; L601-L626 HydrophobicContact CD1-CD1 4.05Å; L601-L626 HydrophobicContact CD1-CD2 4.36Å; L601-L626 HydrophobicContact CD2-CD1 3.94Å
602W92.4Very high93.5Very high86 Ų8641.6 Ų41.633%0.32622%0.219SC..Hα-helixtrans-65.8-39.4172.7-83.6110.9000112.9Y588 N589 I598 E599 K600 R605Y588-W602 AromaticContact CD2-CD2 3.96Å; Y588-W602 HydrophobicContact CD2-CD2 3.96Å; Y588-W602 AromaticContact CD2-CE2 3.85Å; Y588-W602 HydrophobicContact CD2-CG 4.04Å; Y588-W602 HydrophobicContact CD2-CZ2 4.37Å; Y588-W602 AromaticContact CD2-NE1 3.94Å; N589-W602 PolarHBondContact ND2-NE1 2.79Å; I598-W602 VanDerWaalsContact CG2-CD1 3.44Å; I598-W602 PolarHBondContact O-N 3.16Å; E599-W602 PolarHBondContact O-N 3.37Å; K600-W602 PolarHBondContact O-N 2.71Å; W602-R605 VanDerWaalsContact CE3-NE 3.3Å; W602-R605 WeakPolarHBondContact O-CD 3.32Å; W602-R605 WeakPolarHBondContact O-CG 3.4Å
603L89.5Confident93.5Very high80 Ų8039.7 Ų39.742%0.41921%0.205SC..Hα-helixtrans-66.7-45.9177.5178.562.4000111.7E599 K600E599-L603 WeakPolarHBondContact O-CB 3.47Å; E599-L603 PolarHBondContact O-N 2.88Å; K600-L603 PolarHBondContact O-N 3.23Å
604H91.3Very high93.3Very high20 Ų2040.9 Ų40.99%0.09321%0.208CC..Hα-helixtrans-87.7-32.1-172-75.9-88.3000114.4S428 L429 K600 I615S428-H604 PolarHBondContact O-ND1 3.34Å; L429-H604 PolarHBondContact O-CE1 2.96Å; K600-H604 WeakPolarHBondContact O-CB 3.16Å; K600-H604 PolarHBondContact O-CD2 2.63Å; K600-H604 PolarHBondContact O-N 3.1Å; H604-I615 HydrophobicContact CB-CD1 3.48Å; H604-I615 VanDerWaalsContact CB-CD1 3.48Å; H604-I615 HydrophobicContact CB-CG1 4.05Å
605R91Very high93.3Very high69 Ų6938.1 Ų38.126%0.2619%0.189SC..  trans43.359.3-176.4-60.9-59.1-153.1124.527.6113K369 D584 L586 L601 W602K369-R605 PolarHBondContact NZ-O 3.29Å; D584-R605 PolarHBondContact O-NH1 2.89Å; D584-R605 VanDerWaalsContact O-NH1 3.12Å; L586-R605 PolarHBondContact O-NH1 3.26Å; L601-R605 WeakPolarHBondContact O-CA 3.36Å; L601-R605 PolarHBondContact O-N 3.13Å; W602-R605 VanDerWaalsContact CE3-NE 3.3Å; W602-R605 WeakPolarHBondContact O-CD 3.32Å; W602-R605 WeakPolarHBondContact O-CG 3.4Å
606P92.5Very high93.1Very high3 Ų338.9 Ų38.92%0.01919%0.187CC..  trans-63139.7-179.327.9-35.5000111.4L582 L601 A611 A612 I615L582-P606 HydrophobicContact CD1-CG 4.14Å; L601-P606 HydrophobicContact CD2-CG 3.84Å; P606-A611 HydrophobicContact CB-CB 3.93Å; P606-A612 HydrophobicContact CB-CB 3.98Å; P606-A612 HydrophobicContact CG-CB 3.7Å; P606-I615 HydrophobicContact CB-CD1 4.1Å; P606-I615 HydrophobicContact CG-CD1 3.78Å
607Q90.9Very high92.9Very high16 Ų1637.3 Ų37.38%0.07519%0.189CC..SBendtrans-84.6-13.6-179.9-71.7167.173.700113.4L582L582-Q607 PolarHBondContact N-O 3.02Å
608T92.9Very high92.9Very high6 Ų638.3 Ų38.34%0.03719%0.194CC..BIsolated β-bridgetrans-143161.1-177.169.20000110.9Y578 L580 G610 A611 A612Y578-T608 HydrophobicContact CD1-CG2 4.38Å; Y578-T608 WeakPolarHBondContact O-CG2 3.38Å; L580-T608 VanDerWaalsContact O-CA 3.29Å; L580-T608 WeakPolarHBondContact O-CA 3.39Å; T608-G610 VanDerWaalsContact C-N 3.33Å; T608-A611 PolarHBondContact O-N 3.09Å; T608-A611 VanDerWaalsContact OG1-CB 3.29Å; T608-A611 WeakPolarHBondContact OG1-CB 3.31Å; T608-A611 PolarHBondContact OG1-N 3.21Å; T608-A612 PolarHBondContact O-N 3.29Å
609I93.7Very high92.8Very high0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-62.3-43.6171.3-61.3-63.1000110.7L580 L582 A611 A612 Q613 L626 M627L580-I609 HydrophobicContact CB-CB 4.09Å; L580-I609 HydrophobicContact CB-CG1 3.59Å; L580-I609 HydrophobicContact CD1-CG1 4.17Å; L580-I609 PolarHBondContact O-N 3.47Å; L582-I609 HydrophobicContact CD1-CD1 4.27Å; L582-I609 HydrophobicContact CD2-CD1 3.85Å; L582-I609 HydrophobicContact CG-CD1 4.2Å; I609-A611 VanDerWaalsContact C-N 3.26Å; I609-A611 PolarHBondContact O-N 3.25Å; I609-A612 WeakPolarHBondContact O-CB 3.49Å; I609-A612 PolarHBondContact O-N 3.09Å; I609-Q613 PolarHBondContact O-N 3Å; I609-L626 HydrophobicContact CD1-CB 3.47Å; I609-L626 VanDerWaalsContact CD1-CB 3.47Å; I609-M627 HydrophobicContact CD1-CG 4.06Å; I609-M627 HydrophobicContact CG1-CG 4.04Å; I609-M627 HydrophobicContact CG2-CE 3.93Å; I609-M627 HydrophobicContact CG2-CG 3.75Å; I609-M627 HydrophobicContact CG2-SD 4.42Å
610G92.6Very high92.8Very high0 Ų038.4 Ų38.40%021%0.207CC..Hα-helixtrans-58.1-36.6176.500000113.2D577 Y578 T608D577-G610 PolarHBondContact O-N 3.3Å; D577-G610 VanDerWaalsContact O-N 3.14Å; Y578-G610 VanDerWaalsContact CZ-C 3.47Å; Y578-G610 PolarHBondContact OH-O 2.99Å; T608-G610 VanDerWaalsContact C-N 3.33Å
611A92.8Very high92.8Very high1 Ų139.9 Ų39.91%0.00822%0.224CC..Hα-helixtrans-69.1-43.3172.600000112S428 Y578 P606 T608 I609 Q613 R614S428-A611 VanDerWaalsContact OG-CB 3.25Å; S428-A611 WeakPolarHBondContact OG-CB 3.21Å; Y578-A611 HydrophobicContact CE1-CB 4.47Å; P606-A611 HydrophobicContact CB-CB 3.93Å; T608-A611 PolarHBondContact O-N 3.09Å; T608-A611 VanDerWaalsContact OG1-CB 3.29Å; T608-A611 WeakPolarHBondContact OG1-CB 3.31Å; T608-A611 PolarHBondContact OG1-N 3.21Å; I609-A611 VanDerWaalsContact C-N 3.26Å; I609-A611 PolarHBondContact O-N 3.25Å; A611-Q613 VanDerWaalsContact C-N 3.28Å; A611-Q613 PolarHBondContact O-N 2.88Å; A611-R614 PolarHBondContact O-N 3.14Å; A611-R614 VanDerWaalsContact O-N 3.14Å
612A94.4Very high92.8Very high0 Ų040 Ų400%023%0.225CC..Hα-helixtrans-60.6-37.3178.900000112.4L582 L601 P606 T608 I609 R614 I615 L623 L626L582-A612 HydrophobicContact CD1-CB 4.44Å; L601-A612 HydrophobicContact CD2-CB 4.4Å; P606-A612 HydrophobicContact CB-CB 3.98Å; P606-A612 HydrophobicContact CG-CB 3.7Å; T608-A612 PolarHBondContact O-N 3.29Å; I609-A612 WeakPolarHBondContact O-CB 3.49Å; I609-A612 PolarHBondContact O-N 3.09Å; A612-R614 PolarHBondContact O-N 3.38Å; A612-I615 WeakPolarHBondContact O-CB 3.42Å; A612-I615 PolarHBondContact O-N 3.22Å; A612-L623 HydrophobicContact CB-CD2 3.98Å; A612-L626 HydrophobicContact CB-CD1 4.08Å
613Q93.9Very high92.9Very high97 Ų9736.8 Ų36.845%0.45321%0.214SC..Hα-helixtrans-60.9-27.9177.4-178.7177.7-1.500113.4I609 A611 L623I609-Q613 PolarHBondContact O-N 3Å; A611-Q613 VanDerWaalsContact C-N 3.28Å; A611-Q613 PolarHBondContact O-N 2.88Å; Q613-L623 HydrophobicContact CB-CD1 3.86Å; Q613-L623 HydrophobicContact CB-CD2 4.12Å; Q613-L623 HydrophobicContact CG-CD1 3.82Å
614R91.8Very high93.1Very high48 Ų4836.5 Ų36.518%0.18122%0.215CC..THydrogen-bonded Turntrans-85.1-10.7-179-59.9-168.4-53.1114.37.5113.3D424 D425 L429 Y578 A611 A612 P616D424-R614 VanDerWaalsContact C-NH2 3.26Å; D424-R614 PolarHBondContact O-NH2 3.17Å; D424-R614 IonicContact OD1-NH2 3.13Å; D424-R614 PolarHBondContact OD1-NH2 3.09Å; D424-R614 IonicContact OD2-CZ 3.36Å; D424-R614 IonicContact OD2-NE 2.85Å; D424-R614 PolarHBondContact OD2-NE 3.35Å; D424-R614 IonicContact OD2-NH2 2.8Å; D424-R614 PolarHBondContact OD2-NH2 3.22Å; D425-R614 IonicContact OD1-CZ 3.73Å; D425-R614 IonicContact OD1-NH1 3.08Å; D425-R614 PolarHBondContact OD1-NH1 3.1Å; D425-R614 IonicContact OD1-NH2 3.82Å; L429-R614 HydrophobicContact CD2-CB 4.3Å; L429-R614 WeakPolarHBondContact CD2-O 3.46Å; Y578-R614 WeakPolarHBondContact OH-CD 3.3Å; Y578-R614 PolarHBondContact OH-NE 2.91Å; A611-R614 PolarHBondContact O-N 3.14Å; A611-R614 VanDerWaalsContact O-N 3.14Å; A612-R614 PolarHBondContact O-N 3.38Å; R614-P616 WeakPolarHBondContact O-CD 3.48Å
615I93.4Very high93.3Very high3 Ų338.1 Ų38.12%0.01522%0.223CC..SBendtrans-68.9121.5179.1-61.5168.1000108.8K600 L601 H604 P606 A612 G617 I618K600-I615 HydrophobicContact CB-CG2 4.22Å; L601-I615 HydrophobicContact CD2-CD1 4.26Å; H604-I615 HydrophobicContact CB-CD1 3.48Å; H604-I615 VanDerWaalsContact CB-CD1 3.48Å; H604-I615 HydrophobicContact CB-CG1 4.05Å; P606-I615 HydrophobicContact CB-CD1 4.1Å; P606-I615 HydrophobicContact CG-CD1 3.78Å; A612-I615 WeakPolarHBondContact O-CB 3.42Å; A612-I615 PolarHBondContact O-N 3.22Å; I615-G617 PolarHBondContact O-N 3.05Å; I615-I618 HydrophobicContact CB-CB 4.48Å; I615-I618 HydrophobicContact CB-CG1 3.63Å; I615-I618 HydrophobicContact CD1-CG1 4.43Å; I615-I618 HydrophobicContact CG2-CG1 3.75Å; I615-I618 PolarHBondContact O-N 3.08Å; I615-I618 VanDerWaalsContact O-N 3.15Å
616P90.3Very high93.4Very high96 Ų9634.9 Ų34.962%0.62321%0.211SC*.THydrogen-bonded Turntrans-56.1123.9-179.8-27.236000112.6K600 R614K600-P616 WeakPolarHBondContact CD-O 3.34Å; K600-P616 WeakPolarHBondContact CE-O 3.3Å; R614-P616 WeakPolarHBondContact O-CD 3.48Å
617G92.1Very high93.4Very high45 Ų4537.3 Ų37.346%0.46422%0.223SC..THydrogen-bonded Turntrans85.53.917700000115.6I615I615-G617 PolarHBondContact O-N 3.05Å
618I95.3Very high93.4Very high20 Ų2040 Ų4010%0.10324%0.237CC..  trans-69.5130.3163.7-67.2-60000109.3C597 K600 L601 I615 A622 L623C597-I618 HydrophobicContact CB-CD1 4.14Å; K600-I618 HydrophobicContact CB-CD1 3.96Å; K600-I618 HydrophobicContact CD-CD1 4.48Å; L601-I618 HydrophobicContact CD1-CD1 4.38Å; L601-I618 HydrophobicContact CD2-CD1 4.06Å; L601-I618 HydrophobicContact CG-CD1 3.82Å; I615-I618 HydrophobicContact CB-CB 4.48Å; I615-I618 HydrophobicContact CB-CG1 3.63Å; I615-I618 HydrophobicContact CD1-CG1 4.43Å; I615-I618 HydrophobicContact CG2-CG1 3.75Å; I615-I618 PolarHBondContact O-N 3.08Å; I615-I618 VanDerWaalsContact O-N 3.15Å; I618-A622 HydrophobicContact CG2-CB 4.19Å; I618-L623 HydrophobicContact CG2-CD2 3.68Å; I618-L623 HydrophobicContact CG2-CG 3.85Å
619T94.8Very high93.3Very high61 Ų6142.7 Ų42.737%0.37425%0.247SC..  trans-88.4154.9-176.1650000112.1S621 A622 L623T619-S621 PolarHBondContact O-N 3.27Å; T619-A622 WeakPolarHBondContact O-CB 3.2Å; T619-A622 PolarHBondContact O-N 2.87Å; T619-A622 VanDerWaalsContact O-N 3.09Å; T619-A622 PolarHBondContact OG1-N 2.83Å; T619-L623 PolarHBondContact O-N 3.44Å; T619-L623 VanDerWaalsContact O-N 3.13Å
620P94.1Very high93Very high107 Ų10743 Ų4370%0.69525%0.249SC*.Hα-helixtrans-55.5-37.3173.3-27.235.5000113.5A622 L623 V624P620-A622 PolarHBondContact O-N 3.13Å; P620-L623 PolarHBondContact O-N 3.25Å; P620-V624 WeakPolarHBondContact O-CG2 3.36Å; P620-V624 PolarHBondContact O-N 3.13Å
621S94.3Very high92.7Very high80 Ų8048.9 Ų48.956%0.55928%0.275SS*.Hα-helixtrans-61.9-43.4176.3-175.10000112T619 L623 V624 Q625T619-S621 PolarHBondContact O-N 3.27Å; S621-L623 VanDerWaalsContact C-N 3.33Å; S621-L623 PolarHBondContact O-N 2.92Å; S621-V624 PolarHBondContact O-N 2.78Å; S621-Q625 PolarHBondContact O-N 2.79Å; S621-Q625 VanDerWaalsContact O-N 3.13Å
622A95.6Very high92.4Very high3 Ų355.5 Ų55.53%0.02530%0.303CS..Hα-helixtrans-61.5-41175.700000112.1L593 C597 I618 T619 P620 V624 Q625 L626L593-A622 HydrophobicContact CD2-CB 3.62Å; C597-A622 HydrophobicContact CB-CB 4.24Å; I618-A622 HydrophobicContact CG2-CB 4.19Å; T619-A622 WeakPolarHBondContact O-CB 3.2Å; T619-A622 PolarHBondContact O-N 2.87Å; T619-A622 VanDerWaalsContact O-N 3.09Å; T619-A622 PolarHBondContact OG1-N 2.83Å; P620-A622 PolarHBondContact O-N 3.13Å; A622-V624 PolarHBondContact O-N 3.31Å; A622-Q625 PolarHBondContact O-N 3.26Å; A622-L626 WeakPolarHBondContact O-CG 3.44Å; A622-L626 PolarHBondContact O-N 3.02Å
623L94.4Very high91.7Very high17 Ų1757.1 Ų57.19%0.08931%0.311CS..Hα-helixtrans-62.3-42.5176.1-64173.5000111.9A612 Q613 I618 T619 P620 S621 Q625 L626 M627A612-L623 HydrophobicContact CB-CD2 3.98Å; Q613-L623 HydrophobicContact CB-CD1 3.86Å; Q613-L623 HydrophobicContact CB-CD2 4.12Å; Q613-L623 HydrophobicContact CG-CD1 3.82Å; I618-L623 HydrophobicContact CG2-CD2 3.68Å; I618-L623 HydrophobicContact CG2-CG 3.85Å; T619-L623 PolarHBondContact O-N 3.44Å; T619-L623 VanDerWaalsContact O-N 3.13Å; P620-L623 PolarHBondContact O-N 3.25Å; S621-L623 VanDerWaalsContact C-N 3.33Å; S621-L623 PolarHBondContact O-N 2.92Å; L623-Q625 VanDerWaalsContact C-N 3.32Å; L623-Q625 PolarHBondContact O-N 3.04Å; L623-L626 PolarHBondContact O-N 3.2Å; L623-M627 HydrophobicContact CB-CE 3.9Å; L623-M627 VanDerWaalsContact O-CG 3.31Å; L623-M627 WeakPolarHBondContact O-CG 3.33Å; L623-M627 PolarHBondContact O-N 3.46Å
624V93.8Very high90.9Very high74 Ų7454.8 Ų54.845%0.44831%0.305SS..Hα-helixtrans-59.8-43.2176.3172.40000111P620 S621 A622 L626 M627 I628P620-V624 WeakPolarHBondContact O-CG2 3.36Å; P620-V624 PolarHBondContact O-N 3.13Å; S621-V624 PolarHBondContact O-N 2.78Å; A622-V624 PolarHBondContact O-N 3.31Å; V624-L626 PolarHBondContact O-N 3.33Å; V624-M627 PolarHBondContact O-N 3.04Å; V624-I628 HydrophobicContact CG1-CD1 3.87Å; V624-I628 HydrophobicContact CG1-CG1 4.46Å; V624-I628 VanDerWaalsContact O-CG1 3.29Å; V624-I628 WeakPolarHBondContact O-CG1 3.24Å; V624-I628 PolarHBondContact O-N 2.92Å
625Q94.5Very high90.3Very high55 Ų5558.1 Ų58.126%0.25732%0.324SS..Hα-helixtrans-62.2-42.9176.5-67-60.7-32.600112.3L593 S621 A622 L623 I628 Y629L593-Q625 HydrophobicContact CD2-CB 3.88Å; L593-Q625 HydrophobicContact CD2-CG 4.31Å; S621-Q625 PolarHBondContact O-N 2.79Å; S621-Q625 VanDerWaalsContact O-N 3.13Å; A622-Q625 PolarHBondContact O-N 3.26Å; L623-Q625 VanDerWaalsContact C-N 3.32Å; L623-Q625 PolarHBondContact O-N 3.04Å; Q625-I628 PolarHBondContact O-N 3.37Å; Q625-Y629 PolarHBondContact O-N 3.32Å
626L94Very high89.5Confident0 Ų060.4 Ų60.40%034%0.343CS..Hα-helixtrans-63.3-40.8175.2-69.5170.7000112L582 L586 Y588 L591 L601 I609 A612 A622 L623 V624 Y629 S630L582-L626 HydrophobicContact CD2-CB 4.44Å; L582-L626 HydrophobicContact CD2-CD2 4.33Å; L586-L626 HydrophobicContact CD2-CD2 4.12Å; Y588-L626 HydrophobicContact CD1-CD2 4.1Å; Y588-L626 HydrophobicContact CE1-CD2 3.94Å; L591-L626 HydrophobicContact CD1-CD2 3.67Å; L601-L626 HydrophobicContact CD1-CD1 4.05Å; L601-L626 HydrophobicContact CD1-CD2 4.36Å; L601-L626 HydrophobicContact CD2-CD1 3.94Å; I609-L626 HydrophobicContact CD1-CB 3.47Å; I609-L626 VanDerWaalsContact CD1-CB 3.47Å; A612-L626 HydrophobicContact CB-CD1 4.08Å; A622-L626 WeakPolarHBondContact O-CG 3.44Å; A622-L626 PolarHBondContact O-N 3.02Å; L623-L626 PolarHBondContact O-N 3.2Å; V624-L626 PolarHBondContact O-N 3.33Å; L626-Y629 WeakPolarHBondContact O-CB 3.47Å; L626-Y629 PolarHBondContact O-N 2.9Å; L626-S630 WeakPolarHBondContact O-CB 3.41Å; L626-S630 PolarHBondContact O-N 3.15Å
627M92.1Very high88.5Confident54 Ų5461.3 Ų61.327%0.26634%0.339SS..Hα-helixtrans-63.8-43176.3-72.6-178.8-13400111.9L580 I609 L623 V624 Y629 S630 K631L580-M627 HydrophobicContact CD1-CG 4.33Å; I609-M627 HydrophobicContact CD1-CG 4.06Å; I609-M627 HydrophobicContact CG1-CG 4.04Å; I609-M627 HydrophobicContact CG2-CE 3.93Å; I609-M627 HydrophobicContact CG2-CG 3.75Å; I609-M627 HydrophobicContact CG2-SD 4.42Å; L623-M627 HydrophobicContact CB-CE 3.9Å; L623-M627 VanDerWaalsContact O-CG 3.31Å; L623-M627 WeakPolarHBondContact O-CG 3.33Å; L623-M627 PolarHBondContact O-N 3.46Å; V624-M627 PolarHBondContact O-N 3.04Å; M627-Y629 VanDerWaalsContact C-N 3.31Å; M627-Y629 PolarHBondContact O-N 3.28Å; M627-S630 PolarHBondContact O-N 3.46Å; M627-K631 WeakPolarHBondContact O-CB 3.39Å; M627-K631 WeakPolarHBondContact O-CG 3.2Å; M627-K631 PolarHBondContact O-N 3.37Å
628I90.7Very high87.5Confident72 Ų7269.2 Ų69.237%0.36936%0.355SS..Hα-helixtrans-60.3-44.5175.7-68.9165.4000110V624 Q625 K632V624-I628 HydrophobicContact CG1-CD1 3.87Å; V624-I628 HydrophobicContact CG1-CG1 4.46Å; V624-I628 VanDerWaalsContact O-CG1 3.29Å; V624-I628 WeakPolarHBondContact O-CG1 3.24Å; V624-I628 PolarHBondContact O-N 2.92Å; Q625-I628 PolarHBondContact O-N 3.37Å; I628-K632 HydrophobicContact CG2-CD 4.34Å; I628-K632 WeakPolarHBondContact O-CG 3.22Å; I628-K632 PolarHBondContact O-N 3.11Å
629Y90.3Very high86Confident64 Ų6472.3 Ų72.325%0.25138%0.384SS..Hα-helixtrans-59.7-52.6176178.1-90.9000112L586 L591 Q625 L626 M627 K631 K632 Q633L586-Y629 HydrophobicContact CD1-CD1 3.97Å; L586-Y629 HydrophobicContact CD1-CD2 4.33Å; L586-Y629 HydrophobicContact CD1-CE1 3.44Å; L586-Y629 VanDerWaalsContact CD1-CE1 3.44Å; L586-Y629 HydrophobicContact CD1-CE2 3.82Å; L586-Y629 HydrophobicContact CD1-CG 4.39Å; L586-Y629 HydrophobicContact CD2-CD1 4.09Å; L586-Y629 HydrophobicContact CD2-CE1 4.05Å; L586-Y629 HydrophobicContact CG-CE1 4.3Å; L591-Y629 HydrophobicContact CD2-CD2 3.67Å; L591-Y629 HydrophobicContact CD2-CE2 4.48Å; L591-Y629 HydrophobicContact CD2-CG 4.05Å; Q625-Y629 PolarHBondContact O-N 3.32Å; L626-Y629 WeakPolarHBondContact O-CB 3.47Å; L626-Y629 PolarHBondContact O-N 2.9Å; M627-Y629 VanDerWaalsContact C-N 3.31Å; M627-Y629 PolarHBondContact O-N 3.28Å; Y629-K631 VanDerWaalsContact C-N 3.32Å; Y629-K631 PolarHBondContact O-N 3.39Å; Y629-K632 PolarHBondContact O-N 3.3Å; Y629-K632 VanDerWaalsContact O-N 3.16Å; Y629-Q633 PolarHBondContact O-N 3.13Å; Y629-Q633 PolarHBondContact OH-NE2 2.77Å
630S88.2Confident84Confident7 Ų778.1 Ų78.15%0.04940%0.404CS..Hα-helixtrans-58.5-41.7-179.5-1790000112.1R581 L626 M627 Q633 S634R581-S630 PolarHBondContact O-OG 2.92Å; L626-S630 WeakPolarHBondContact O-CB 3.41Å; L626-S630 PolarHBondContact O-N 3.15Å; M627-S630 PolarHBondContact O-N 3.46Å; S630-Q633 PolarHBondContact O-N 2.9Å; S630-S634 PolarHBondContact O-N 3.13Å; S630-S634 PolarHBondContact O-OG 2.8Å
631K85.9Confident81.3Confident123 Ų12376.9 Ų76.954%0.53540%0.398SS..Hα-helixtrans-65.3-42.5175.2-75.6-175.6179.5-179.70113.1M627 Y629 Q633 S634 M635M627-K631 WeakPolarHBondContact O-CB 3.39Å; M627-K631 WeakPolarHBondContact O-CG 3.2Å; M627-K631 PolarHBondContact O-N 3.37Å; Y629-K631 VanDerWaalsContact C-N 3.32Å; Y629-K631 PolarHBondContact O-N 3.39Å; K631-Q633 VanDerWaalsContact C-N 3.25Å; K631-Q633 PolarHBondContact O-N 3.28Å; K631-S634 PolarHBondContact O-N 2.78Å; K631-S634 PolarHBondContact O-OG 2.88Å; K631-M635 WeakPolarHBondContact O-CE 3.39Å; K631-M635 WeakPolarHBondContact O-CG 3.19Å; K631-M635 PolarHBondContact O-N 3.39Å; K631-M635 VanDerWaalsContact O-N 3.12Å
632K86Confident78.7Confident139 Ų13978.5 Ų78.560%0.60441%0.406SS*.Hα-helixtrans-60.5-39.8176.1-77.8-179.8178.8-178.40111.4I628 Y629 M635 A636I628-K632 HydrophobicContact CG2-CD 4.34Å; I628-K632 WeakPolarHBondContact O-CG 3.22Å; I628-K632 PolarHBondContact O-N 3.11Å; Y629-K632 PolarHBondContact O-N 3.3Å; Y629-K632 VanDerWaalsContact O-N 3.16Å; K632-M635 HydrophobicContact CG-CE 4.46Å; K632-A636 WeakPolarHBondContact O-CB 3.5Å; K632-A636 PolarHBondContact O-N 3Å
633Q80.3Confident75.8Confident35 Ų3589.9 Ų89.916%0.16445%0.449CS..Hα-helixtrans-69.9-43.8179.5-178166.573.700113.2Q583 Y629 S630 K631 M635 A636 Q637Q583-Q633 VanDerWaalsContact CG-OE1 3.31Å; Q583-Q633 VanDerWaalsContact NE2-NE2 3.16Å; Y629-Q633 PolarHBondContact O-N 3.13Å; Y629-Q633 PolarHBondContact OH-NE2 2.77Å; S630-Q633 PolarHBondContact O-N 2.9Å; K631-Q633 VanDerWaalsContact C-N 3.25Å; K631-Q633 PolarHBondContact O-N 3.28Å; Q633-M635 VanDerWaalsContact C-N 3.27Å; Q633-M635 PolarHBondContact O-N 3.28Å; Q633-A636 PolarHBondContact O-N 2.66Å; Q633-A636 VanDerWaalsContact O-N 3.13Å; Q633-Q637 PolarHBondContact O-N 3.47Å
634S77Confident72.8Confident48 Ų4895.5 Ų95.534%0.33648%0.479SS..Hα-helixtrans-62.6-36.7176.966.40000111.8S630 K631 R638S630-S634 PolarHBondContact O-N 3.13Å; S630-S634 PolarHBondContact O-OG 2.8Å; K631-S634 PolarHBondContact O-N 2.78Å; K631-S634 PolarHBondContact O-OG 2.88Å; S634-R638 WeakPolarHBondContact O-CG 3.42Å; S634-R638 PolarHBondContact O-N 3.4Å
635M78.7Confident70Confident118 Ų11896.9 Ų96.958%0.58150%0.498SS*.Hα-helixtrans-64.3-43.8171.2-70.7-172.1-68.100112.2K631 K632 Q633 Q637 R638 A639K631-M635 WeakPolarHBondContact O-CE 3.39Å; K631-M635 WeakPolarHBondContact O-CG 3.19Å; K631-M635 PolarHBondContact O-N 3.39Å; K631-M635 VanDerWaalsContact O-N 3.12Å; K632-M635 HydrophobicContact CG-CE 4.46Å; Q633-M635 VanDerWaalsContact C-N 3.27Å; Q633-M635 PolarHBondContact O-N 3.28Å; M635-Q637 PolarHBondContact O-N 2.75Å; M635-R638 PolarHBondContact O-N 2.92Å; M635-A639 WeakPolarHBondContact O-CB 3.42Å; M635-A639 PolarHBondContact O-N 3.27Å
636A77Confident66.9Low50 Ų50103.5 Ų103.541%0.41353%0.529SS..Hα-helixtrans-65.4-37177.900000112.9K632 Q633 A639 K640K632-A636 WeakPolarHBondContact O-CB 3.5Å; K632-A636 PolarHBondContact O-N 3Å; Q633-A636 PolarHBondContact O-N 2.66Å; Q633-A636 VanDerWaalsContact O-N 3.13Å; A636-A639 PolarHBondContact O-N 3.43Å; A636-K640 WeakPolarHBondContact O-CG 3.29Å; A636-K640 PolarHBondContact O-N 3.21Å; A636-K640 VanDerWaalsContact O-N 3.15Å
637Q69.9Low63.9Low115 Ų115107.4 Ų107.454%0.53756%0.556SS.*Hα-helixtrans-66.5-43.9174-76.2177.3-9.900111.6Q633 M635 A639 K640 S641Q633-Q637 PolarHBondContact O-N 3.47Å; M635-Q637 PolarHBondContact O-N 2.75Å; Q637-A639 VanDerWaalsContact C-N 3.26Å; Q637-A639 PolarHBondContact O-N 3.08Å; Q637-K640 PolarHBondContact O-N 2.83Å; Q637-K640 VanDerWaalsContact O-N 3.08Å; Q637-S641 PolarHBondContact O-N 3.01Å; Q637-S641 VanDerWaalsContact O-N 3.1Å
638R70.2Confident60.9Low211 Ų211112.5 Ų112.580%0.79658%0.584SS**Hα-helixtrans-61.1-34.8174.1-75.4179.2-179.7-170.90.2112.6S634 M635 K640S634-R638 WeakPolarHBondContact O-CG 3.42Å; S634-R638 PolarHBondContact O-N 3.4Å; M635-R638 PolarHBondContact O-N 2.92Å; R638-K640 VanDerWaalsContact C-N 3.32Å
639A64.2Low58.2Low86 Ų86118.4 Ų118.471%0.71161%0.61SS**Hα-helixtrans-73-22175.700000113.7M635 A636 Q637M635-A639 WeakPolarHBondContact O-CB 3.42Å; M635-A639 PolarHBondContact O-N 3.27Å; A636-A639 PolarHBondContact O-N 3.43Å; Q637-A639 VanDerWaalsContact C-N 3.26Å; Q637-A639 PolarHBondContact O-N 3.08Å
640K52.5Low55.7Low182 Ų182124.5 Ų124.579%0.79164%0.643SS**Hα-helixtrans-93.5-14178.3-75.8-177.6178.5-1750114.3A636 Q637 R638A636-K640 WeakPolarHBondContact O-CG 3.29Å; A636-K640 PolarHBondContact O-N 3.21Å; A636-K640 VanDerWaalsContact O-N 3.15Å; Q637-K640 PolarHBondContact O-N 2.83Å; Q637-K640 VanDerWaalsContact O-N 3.08Å; R638-K640 VanDerWaalsContact C-N 3.32Å
641S38.3Very low53.3Low81 Ų81135.8 Ų135.857%0.56670%0.703SS**SBendtrans-72.8126.8174.1-152.10000108.6Q637 R643Q637-S641 PolarHBondContact O-N 3.01Å; Q637-S641 VanDerWaalsContact O-N 3.1Å; S641-R643 PolarHBondContact O-N 3Å; S641-R643 VanDerWaalsContact O-N 3.11Å
642P38.8Very low51.6Low114 Ų114136.5 Ų136.574%0.7471%0.712SS**  trans-58.5121.9-178-15.225.9000109.4D644P642-D644 PolarHBondContact O-N 3.32Å
643R34.5Very low49.8Very low243 Ų243136.3 Ų136.392%0.91772%0.717SS**SBendtrans-70.488.4159.9-74.2-179.6178-177.7-1.5105.7S641S641-R643 PolarHBondContact O-N 3Å; S641-R643 VanDerWaalsContact O-N 3.11Å
644D33.1Very low48.1Very low135 Ų135141.9 Ų141.972%0.72275%0.748SS**  trans-175.196.2159.4-85.3-27.8000110.6P642P642-D644 PolarHBondContact O-N 3.32Å
645A33Very low46.4Very low103 Ų103147.5 Ų147.585%0.85177%0.773SS**SBendtrans-148.920.9152.900000111.5
646Q30.2Very low44.4Very low194 Ų194149.3 Ų149.391%0.90778%0.784SS**SBendtrans-143.259.6175.5-78.1-171-15.900110.7
647S30.2Very low42.3Very low81 Ų81155.9 Ų155.957%0.56681%0.809SS**SBendtrans-176.886.9157.150.30000108.2
648N30.4Very low40.3Very low161 Ų161158.9 Ų158.986%0.86183%0.829SS**SBendtrans153.676.9156-80.8-17.2000109.7
649E34.3Very low38Very low196 Ų196154.8 Ų154.892%0.91683%0.831SS**SBendtrans-17669.9151-105.9177.2-160.700108
650M36.1Very low35.8Very low192 Ų192160.6 Ų160.695%0.94684%0.841SS**  trans-170.182.1153.5-104.9-178.384.800107.2
651N38.2Very low34.3Very low245 Ų245158.6 Ų158.6100%1.3185%0.846SS**  trans-146.50153.8-111.5-3000107.2

Retrieved 651 of 651 residues in 150.2 ms (Link to these results)

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