A0A096MXI7_PAPAN Loading...

Ras homolog family member D

AlphaFold DB (A0A2K5YGQ8), UniProt , Accession A0A096MXI7, Species PAPAN (Papio anubis, Olive baboon), Gene RHOD, Length 210 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
1M32Very low40.5Very low245 Ų245117.6 Ų117.6100%1.20772%0.718SS**  0112.40-69.6178.9-168.300105.9A3M1-A3 PolarHBondContact O-N 3.19Å
2T27.7Very low42.1Very low147 Ų147113.9 Ų113.990%0.90270%0.698SS**  trans-68.9116.6-170.4-8.50000109.3A4T2-A4 PolarHBondContact O-N 3.43Å
3A32.4Very low43.4Very low58 Ų58116 Ų11648%0.47972%0.715SS.*  trans-69.8110.3164.400000106.7M1 A38M1-A3 PolarHBondContact O-N 3.19Å; A3-A38 WeakPolarHBondContact CB-O 3.36Å
4A36.2Very low45.5Very low86 Ų86113.6 Ų113.671%0.71173%0.725SS**  trans-71.9135.817700000109.5T2 A6T2-A4 PolarHBondContact O-N 3.43Å; A4-A6 PolarHBondContact O-N 2.98Å
5Q37.9Very low47.9Very low173 Ų173108.5 Ų108.581%0.80869%0.691SS**  trans-54.8108.3154.8-76.3171.1-37.200108.2
6A40.1Very low50.5Low49 Ų49107.8 Ų107.841%0.40567%0.671SS.*  trans-99.99716400000107.9A4 G8 M55A4-A6 PolarHBondContact O-N 2.98Å; A6-G8 PolarHBondContact O-N 3.1Å; A6-G8 VanDerWaalsContact O-N 3.13Å; A6-M55 HydrophobicContact CB-CE 4.29Å
7A38.1Very low53.1Low101 Ų101104.9 Ų104.984%0.83566%0.655SS**  trans-60111.6163.100000108.5E9A7-E9 PolarHBondContact O-N 3.31Å
8G43.8Very low55.4Low76 Ų7699.2 Ų99.278%0.78462%0.62SS**SBendtrans63.628.1153.100000118.9A6 E10A6-G8 PolarHBondContact O-N 3.1Å; A6-G8 VanDerWaalsContact O-N 3.13Å; G8-E10 PolarHBondContact O-N 3.46Å
9E48.6Very low57.7Low146 Ų14695.5 Ų95.568%0.68259%0.594SS**  trans-82.1114.8172.1-131.6174.7-172.700110.5A7 M55A7-E9 PolarHBondContact O-N 3.31Å; E9-M55 HydrophobicContact CB-CE 4.37Å; E9-M55 WeakPolarHBondContact O-CE 3.45Å
10E52.3Low59.7Low187 Ų18790.8 Ų90.887%0.87456%0.564SS**PPolyproline II helixtrans-61.7141.7173.4-127.3175.9-177.100109.9G8G8-E10 PolarHBondContact O-N 3.46Å
11A56.1Low61.5Low26 Ų2686.4 Ų86.422%0.21554%0.537CS..PPolyproline II helixtrans-60138-176.100000111.2V15 H66A11-V15 HydrophobicContact CB-CB 4.39Å; A11-H66 WeakPolarHBondContact CA-ND1 3.32Å; A11-H66 HydrophobicContact CB-CB 4.4Å; A11-H66 WeakPolarHBondContact CB-ND1 3.35Å
12P60.4Low64.7Low73 Ų7374.8 Ų74.847%0.47448%0.48SS..PPolyproline II helixtrans-53.6144.6173.6-21.329.6000110.7G14 V15 H66P12-G14 PolarHBondContact O-N 3.45Å; P12-G14 VanDerWaalsContact O-N 3.11Å; P12-V15 HydrophobicContact CB-CG2 4.24Å; P12-V15 HydrophobicContact CG-CG2 4.35Å; P12-V15 PolarHBondContact O-N 3.01Å; P12-V15 VanDerWaalsContact O-N 3.09Å; P12-H66 VanDerWaalsContact CD-CE1 3.45Å; P12-H66 WeakPolarHBondContact CD-CE1 3.29Å
13P58.2Low68.1Low141 Ų14167.8 Ų67.892%0.91644%0.437SS*.THydrogen-bonded Turntrans-54.1122.7-179.64.5-11.1000111
14G72.8Confident71.2Confident83 Ų8365 Ų6586%0.85642%0.415SS*.THydrogen-bonded Turntrans102.5-8.7179.500000115.8P12P12-G14 PolarHBondContact O-N 3.45Å; P12-G14 VanDerWaalsContact O-N 3.11Å
15V82.2Confident74.2Confident37 Ų3761.9 Ų61.922%0.22439%0.386CS..  trans-83.7133.6171.9-172.40000110.1A11 P12 P64 H66A11-V15 HydrophobicContact CB-CB 4.39Å; P12-V15 HydrophobicContact CB-CG2 4.24Å; P12-V15 HydrophobicContact CG-CG2 4.35Å; P12-V15 PolarHBondContact O-N 3.01Å; P12-V15 VanDerWaalsContact O-N 3.09Å; V15-P64 HydrophobicContact CG1-CB 4.24Å; V15-P64 HydrophobicContact CG1-CG 4.42Å; V15-H66 WeakPolarHBondContact CG1-CD2 3.33Å
16R90Very high77Confident97 Ų9755.4 Ų55.437%0.36637%0.366SS..EExtended strand (participates in β ladder)trans-78134.5179.6-67.9-175.6-64.3169.61.2110.1V65 H66 L191R16-V65 CarbonylContact O-C 3.5Å; R16-V65 WeakPolarHBondContact O-CA 3.44Å; R16-V65 WeakPolarHBondContact O-CG1 3.33Å; R16-H66 PolarHBondContact O-N 3.03Å; R16-L191 HydrophobicContact CB-CD2 4.06Å
17S93.4Very high79.7Confident58 Ų5854.5 Ų54.541%0.40636%0.361SS..EExtended strand (participates in β ladder)trans-106.8139.4176.1-64.10000111H66S17-H66 CarbonylContact C-O 3.59Å; S17-H66 WeakPolarHBondContact CA-O 3.07Å
18V95.9Very high82.5Confident2 Ų249.8 Ų49.81%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-127.6121.7178.7170.30000109V20 V65 H66 H68 V91 A190 L191V18-V20 HydrophobicContact CG1-CG2 3.97Å; V18-V65 HydrophobicContact CB-CG1 4.29Å; V18-V65 HydrophobicContact CG2-CG1 3.77Å; V18-H66 PolarHBondContact N-O 2.92Å; V18-H68 WeakPolarHBondContact O-CB 3.08Å; V18-H68 PolarHBondContact O-N 2.77Å; V18-V91 HydrophobicContact CG1-CG1 4.36Å; V18-A190 HydrophobicContact CB-CB 4.29Å; V18-A190 HydrophobicContact CG1-CB 3.38Å; V18-A190 HydrophobicContact CG2-CB 3.9Å; V18-L191 HydrophobicContact CG2-CD1 4.27Å; V18-L191 HydrophobicContact CG2-CD2 3.72Å; V18-L191 HydrophobicContact CG2-CG 3.78Å
19K97.5Very high85.1Confident30 Ų3046.7 Ų46.713%0.1329%0.29CS..EExtended strand (participates in β ladder)trans-90.9116.9172.9-176.2175.7173179.40110.6V21 H68 W70 F85 P87 S90 V91K19-V21 HydrophobicContact CG-CG2 4.33Å; K19-H68 CarbonylContact C-O 3.54Å; K19-H68 WeakPolarHBondContact CA-O 3.11Å; K19-H68 HydrophobicContact CB-CB 4.43Å; K19-W70 HydrophobicContact CD-CD2 4.44Å; K19-W70 HydrophobicContact CD-CZ2 4.4Å; K19-W70 HydrophobicContact CG-CD2 4.3Å; K19-W70 HydrophobicContact CG-CE3 4.06Å; K19-W70 HydrophobicContact CG-CZ3 4.41Å; K19-F85 WeakPolarHBondContact CE-O 3.43Å; K19-F85 PolarHBondContact NZ-O 3.5Å; K19-P87 PolarHBondContact NZ-O 3.28Å; K19-S90 PolarHBondContact N-OG 3.03Å; K19-S90 WeakPolarHBondContact O-CA 3.45Å; K19-S90 WeakPolarHBondContact O-CB 3.44Å; K19-S90 PolarHBondContact O-N 3.15Å; K19-V91 PolarHBondContact O-N 3.04Å
20V98.3Very high87.5Confident0 Ų040.1 Ų40.10%026%0.259CS..EExtended strand (participates in β ladder)trans-107.1127.3175.7-172.90000108.3V18 L22 L67 H68 I69 W70 V91 L93 A186V18-V20 HydrophobicContact CG1-CG2 3.97Å; V20-L22 HydrophobicContact CG1-CD1 4.06Å; V20-L67 HydrophobicContact CG2-CD2 4.16Å; V20-H68 PolarHBondContact N-O 3.11Å; V20-I69 HydrophobicContact CB-CG1 4.39Å; V20-I69 WeakPolarHBondContact O-CA 3.48Å; V20-W70 PolarHBondContact O-N 3.21Å; V20-V91 HydrophobicContact CB-CG1 4.24Å; V20-V91 HydrophobicContact CG1-CG1 4.17Å; V20-V91 HydrophobicContact CG2-CG1 3.79Å; V20-L93 HydrophobicContact CG1-CD1 3.77Å; V20-L93 HydrophobicContact CG1-CG 3.74Å; V20-A186 HydrophobicContact CG1-CB 4.3Å; V20-A186 HydrophobicContact CG2-CB 4.2Å
21V98.5Very high89.7Confident0 Ų032.8 Ų32.80%023%0.227CC..EExtended strand (participates in β ladder)trans-116.8127.1174.8-1720000109.8K19 V23 W70 T72 Y86 A89 V91 L92 L93K19-V21 HydrophobicContact CG-CG2 4.33Å; V21-V23 HydrophobicContact CG1-CG1 4.32Å; V21-W70 HydrophobicContact CB-CB 4.37Å; V21-W70 HydrophobicContact CG1-CB 4.13Å; V21-W70 HydrophobicContact CG2-CB 4.12Å; V21-T72 HydrophobicContact CG1-CG2 3.91Å; V21-Y86 HydrophobicContact CG1-CD1 4.05Å; V21-Y86 HydrophobicContact CG1-CE1 4.01Å; V21-A89 HydrophobicContact CG2-CB 3.85Å; V21-V91 PolarHBondContact N-O 3.01Å; V21-L92 HydrophobicContact CB-CD2 3.88Å; V21-L92 HydrophobicContact CG2-CD2 4.41Å; V21-L92 WeakPolarHBondContact O-CA 3.46Å; V21-L93 PolarHBondContact O-N 2.85Å
22L98.7Very high91.6Very high0 Ų032.8 Ų32.80%023%0.226CC..EExtended strand (participates in β ladder)trans-95.7129.4176.7-73.767.9000109.4V20 K30 L33 I69 W70 T72 L93 F183V20-L22 HydrophobicContact CG1-CD1 4.06Å; L22-K30 HydrophobicContact CB-CB 4.3Å; L22-K30 HydrophobicContact CB-CD 4.23Å; L22-K30 HydrophobicContact CB-CG 4.46Å; L22-K30 HydrophobicContact CD2-CB 4.04Å; L22-L33 HydrophobicContact CD2-CD2 4.44Å; L22-I69 HydrophobicContact CD1-CG2 3.44Å; L22-I69 VanDerWaalsContact CD1-CG2 3.44Å; L22-W70 PolarHBondContact N-O 3.23Å; L22-T72 PolarHBondContact O-OG1 3.39Å; L22-L93 HydrophobicContact CD1-CD1 4Å; L22-L93 HydrophobicContact CG-CB 4.13Å; L22-L93 HydrophobicContact CG-CD1 4.06Å; L22-F183 HydrophobicContact CD1-CE1 4.28Å
23V98.6Very high93.5Very high0 Ų029.4 Ų29.40%020%0.203CC..EExtended strand (participates in β ladder)trans-134.8156.7175.4-610000110.3V21 Y86 L93 L94 C95 W111 V115V21-V23 HydrophobicContact CG1-CG1 4.32Å; V23-Y86 HydrophobicContact CG1-CE1 3.71Å; V23-Y86 WeakPolarHBondContact CG1-OH 3.41Å; V23-L93 PolarHBondContact N-O 3.08Å; V23-L94 HydrophobicContact CG2-CD1 3.44Å; V23-L94 VanDerWaalsContact CG2-CD1 3.44Å; V23-L94 HydrophobicContact CG2-CG 3.77Å; V23-C95 PolarHBondContact O-N 2.86Å; V23-W111 HydrophobicContact CB-CE3 4.1Å; V23-V115 HydrophobicContact CG1-CG1 4.42Å; V23-V115 HydrophobicContact CG2-CG1 3.87Å
24G98.6Very high95.3Very high1 Ų122.8 Ų22.81%0.0116%0.16CC..  trans146.5169.1-174.100000112.2K30 G74 C95 W111G24-K30 PolarHBondContact O-NZ 2.78Å; G24-G74 WeakPolarHBondContact O-CA 3.3Å; G24-C95 VanDerWaalsContact CA-O 3.32Å; G24-C95 WeakPolarHBondContact CA-O 3.35Å; G24-W111 VanDerWaalsContact CA-CE2 3.41Å; G24-W111 VanDerWaalsContact O-CZ2 3.27Å; G24-W111 WeakPolarHBondContact O-CZ2 3.4Å
25D98.5Very high96.4Very high19 Ų1921 Ų2110%0.10213%0.131CC..SBendtrans-53.3153-176.2-81.919.8000113.6G27 C28 K30 S103 N106 W111D25-G27 PolarHBondContact O-N 3.36Å; D25-C28 HydrophobicContact CB-CB 4.26Å; D25-C28 WeakPolarHBondContact O-CB 3.18Å; D25-C28 PolarHBondContact O-N 3.09Å; D25-C28 PolarHBondContact O-SG 2.98Å; D25-K30 PolarHBondContact O-NZ 3.13Å; D25-S103 VanDerWaalsContact OD2-CA 3.28Å; D25-S103 WeakPolarHBondContact OD2-CA 3.28Å; D25-S103 WeakPolarHBondContact OD2-CB 3.43Å; D25-N106 WeakPolarHBondContact OD1-CB 3.26Å; D25-N106 PolarHBondContact OD1-ND2 2.75Å; D25-N106 VanDerWaalsContact OD1-ND2 3.16Å; D25-N106 PolarHBondContact OD2-ND2 3.23Å; D25-W111 PolarHBondContact OD1-NE1 2.92Å
26G96.8Very high97.1Very high38 Ų3819.7 Ų19.739%0.39212%0.122SC..THydrogen-bonded Turntrans-52.4129167.600000110.8C28 G74G26-C28 VanDerWaalsContact C-N 3.26Å; G26-C28 PolarHBondContact O-N 3.42Å; G26-G74 PolarHBondContact N-O 3.03Å
27G96.4Very high97.4Very high29 Ų2916 Ų1630%0.29911%0.109SC..THydrogen-bonded Turntrans72.77.5177.900000115.7D25 G29 K130D25-G27 PolarHBondContact O-N 3.36Å; G27-G29 PolarHBondContact O-N 3.19Å; G27-K130 WeakPolarHBondContact O-CE 3.49Å; G27-K130 PolarHBondContact O-NZ 2.86Å
28C98.1Very high97.4Very high3 Ų313.6 Ų13.62%0.029%0.093CC..SBendtrans-70.7-14.1-179.574.50000114.5D25 G26 C95 D97 C129 K130D25-C28 HydrophobicContact CB-CB 4.26Å; D25-C28 WeakPolarHBondContact O-CB 3.18Å; D25-C28 PolarHBondContact O-N 3.09Å; D25-C28 PolarHBondContact O-SG 2.98Å; G26-C28 VanDerWaalsContact C-N 3.26Å; G26-C28 PolarHBondContact O-N 3.42Å; C28-C95 PolarHBondContact SG-O 2.96Å; C28-C95 VanDerWaalsContact SG-O 3.4Å; C28-D97 HydrophobicContact CB-CB 4.23Å; C28-C129 WeakPolarHBondContact O-CB 3.34Å; C28-K130 WeakPolarHBondContact O-CE 3.27Å
29G97.9Very high97.2Very high11 Ų1116.6 Ų16.611%0.11311%0.108CC..SBendtrans118.28.717400000115.9G27 T31 S32 L33G27-G29 PolarHBondContact O-N 3.19Å; G29-T31 PolarHBondContact O-N 3.05Å; G29-S32 PolarHBondContact O-N 3.03Å; G29-L33 VanDerWaalsContact O-CB 3.3Å; G29-L33 WeakPolarHBondContact O-CB 3.27Å; G29-L33 PolarHBondContact O-N 3.33Å
30K98.4Very high97Very high8 Ų817.3 Ų17.34%0.03513%0.125CC..Hα-helixtrans-54.5-52.4179.6-55-175.1-59.5-74.70112.9L22 G24 D25 L33 L34 D71 T72 C95L22-K30 HydrophobicContact CB-CB 4.3Å; L22-K30 HydrophobicContact CB-CD 4.23Å; L22-K30 HydrophobicContact CB-CG 4.46Å; L22-K30 HydrophobicContact CD2-CB 4.04Å; G24-K30 PolarHBondContact O-NZ 2.78Å; D25-K30 PolarHBondContact O-NZ 3.13Å; K30-L33 WeakPolarHBondContact O-CB 3.37Å; K30-L33 PolarHBondContact O-N 3.34Å; K30-L34 PolarHBondContact O-N 3.27Å; K30-D71 WeakPolarHBondContact CB-OD1 3.41Å; K30-T72 WeakPolarHBondContact CE-O 3.41Å; K30-C95 HydrophobicContact CD-CB 4.47Å; K30-C95 HydrophobicContact CG-CB 3.85Å
31T97.6Very high96.7Very high33 Ų3320 Ų2020%0.20215%0.146CC..Hα-helixtrans-66.3-42.5-178.3-43.90000111.9G29 L33 L34 M35 T49 D71G29-T31 PolarHBondContact O-N 3.05Å; T31-L33 VanDerWaalsContact C-N 3.32Å; T31-L33 PolarHBondContact O-N 3.26Å; T31-L34 PolarHBondContact O-N 2.99Å; T31-M35 HydrophobicContact CG2-CE 3.87Å; T31-M35 HydrophobicContact CG2-CG 4.49Å; T31-M35 HydrophobicContact CG2-SD 4.12Å; T31-M35 WeakPolarHBondContact O-CG 3.45Å; T31-M35 PolarHBondContact O-N 2.83Å; T31-T49 PolarHBondContact OG1-OG1 3.06Å; T31-D71 VanDerWaalsContact CA-OD2 3.24Å; T31-D71 WeakPolarHBondContact CA-OD2 3.35Å; T31-D71 VanDerWaalsContact CB-OD2 3.22Å; T31-D71 WeakPolarHBondContact CB-OD2 3.35Å; T31-D71 WeakPolarHBondContact CG2-OD2 3.23Å; T31-D71 PolarHBondContact OG1-OD2 2.9Å
32S97.8Very high96.5Very high26 Ų2623.3 Ų23.318%0.18216%0.161CC..Hα-helixtrans-62.3-40.4174.5-52.10000111.9G29 V36G29-S32 PolarHBondContact O-N 3.03Å; S32-V36 WeakPolarHBondContact O-CB 3.44Å; S32-V36 VanDerWaalsContact O-CG2 3.22Å; S32-V36 WeakPolarHBondContact O-CG2 3.38Å; S32-V36 PolarHBondContact O-N 3.45Å
33L98.4Very high96Very high1 Ų124.8 Ų24.81%0.00517%0.171CC..Hα-helixtrans-61.8-45.8174.7172.261.6000111.2L22 G29 K30 T31 F37 V127 V179 V182 F183L22-L33 HydrophobicContact CD2-CD2 4.44Å; G29-L33 VanDerWaalsContact O-CB 3.3Å; G29-L33 WeakPolarHBondContact O-CB 3.27Å; G29-L33 PolarHBondContact O-N 3.33Å; K30-L33 WeakPolarHBondContact O-CB 3.37Å; K30-L33 PolarHBondContact O-N 3.34Å; T31-L33 VanDerWaalsContact C-N 3.32Å; T31-L33 PolarHBondContact O-N 3.26Å; L33-F37 WeakPolarHBondContact O-CB 3.42Å; L33-F37 PolarHBondContact O-N 3.05Å; L33-F37 VanDerWaalsContact O-N 3.14Å; L33-V127 HydrophobicContact CD2-CG1 4.26Å; L33-V179 HydrophobicContact CD1-CB 4.25Å; L33-V179 HydrophobicContact CD1-CG1 3.88Å; L33-V179 HydrophobicContact CD1-CG2 4.1Å; L33-V182 HydrophobicContact CD2-CG1 4.24Å; L33-F183 HydrophobicContact CD1-CE2 3.82Å; L33-F183 HydrophobicContact CD2-CE2 4.44Å; L33-F183 HydrophobicContact CD2-CZ 4.47Å; L33-F183 HydrophobicContact CG-CE2 3.75Å; L33-F183 HydrophobicContact CG-CZ 4.01Å
34L97.3Very high95.5Very high2 Ų234.5 Ų34.51%0.0122%0.216CC..Hα-helixtrans-60.7-55176173.454.7000112.1K30 T31 V36 F37 A38 Y54 I69 D71K30-L34 PolarHBondContact O-N 3.27Å; T31-L34 PolarHBondContact O-N 2.99Å; L34-V36 VanDerWaalsContact C-N 3.34Å; L34-V36 PolarHBondContact O-N 3.29Å; L34-F37 WeakPolarHBondContact O-CB 3.29Å; L34-F37 PolarHBondContact O-N 3.42Å; L34-F37 VanDerWaalsContact O-N 3.09Å; L34-A38 HydrophobicContact CD1-CB 4.47Å; L34-A38 WeakPolarHBondContact O-CB 3.39Å; L34-A38 PolarHBondContact O-N 3.47Å; L34-Y54 HydrophobicContact CD1-CG 4.25Å; L34-Y54 HydrophobicContact CD2-CD2 4.01Å; L34-Y54 HydrophobicContact CD2-CG 4.42Å; L34-Y54 HydrophobicContact CG-CD2 4.41Å; L34-I69 HydrophobicContact CD1-CB 3.97Å; L34-I69 HydrophobicContact CD1-CD1 3.87Å; L34-I69 HydrophobicContact CD1-CG2 3.68Å; L34-I69 HydrophobicContact CD2-CG2 4.44Å; L34-D71 HydrophobicContact CD2-CB 3.6Å
35M95.3Very high95Very high47 Ų4738.7 Ų38.723%0.23225%0.245CC..Hα-helixtrans-65.5-37-174.3-68.1-177.9-53.400112.2T31 F37 A38 D39 G40 P43T31-M35 HydrophobicContact CG2-CE 3.87Å; T31-M35 HydrophobicContact CG2-CG 4.49Å; T31-M35 HydrophobicContact CG2-SD 4.12Å; T31-M35 WeakPolarHBondContact O-CG 3.45Å; T31-M35 PolarHBondContact O-N 2.83Å; M35-F37 VanDerWaalsContact C-N 3.3Å; M35-F37 PolarHBondContact O-N 3.01Å; M35-A38 PolarHBondContact O-N 3.48Å; M35-D39 WeakPolarHBondContact O-CA 3.38Å; M35-D39 WeakPolarHBondContact O-CB 3.36Å; M35-D39 PolarHBondContact O-N 2.86Å; M35-G40 PolarHBondContact O-N 3.45Å; M35-P43 HydrophobicContact CE-CB 3.3Å; M35-P43 HydrophobicContact CE-CG 3.22Å
36V97.3Very high94.2Very high8 Ų844.6 Ų44.65%0.04827%0.267CS..Hα-helixtrans-67.2-34.8174.7174.30000111.3S32 L34 G40 A41 F42 A173 H176 V179S32-V36 WeakPolarHBondContact O-CB 3.44Å; S32-V36 VanDerWaalsContact O-CG2 3.22Å; S32-V36 WeakPolarHBondContact O-CG2 3.38Å; S32-V36 PolarHBondContact O-N 3.45Å; L34-V36 VanDerWaalsContact C-N 3.34Å; L34-V36 PolarHBondContact O-N 3.29Å; V36-G40 VanDerWaalsContact O-CA 3.24Å; V36-G40 WeakPolarHBondContact O-CA 2.99Å; V36-G40 PolarHBondContact O-N 3.04Å; V36-G40 VanDerWaalsContact O-N 3.16Å; V36-A41 WeakPolarHBondContact CG2-O 3.32Å; V36-F42 HydrophobicContact CG2-CB 3.98Å; V36-F42 HydrophobicContact CG2-CD2 4.03Å; V36-F42 HydrophobicContact CG2-CG 4.5Å; V36-A173 HydrophobicContact CB-CB 4.41Å; V36-A173 HydrophobicContact CG2-CB 4.03Å; V36-A173 WeakPolarHBondContact CG2-O 3.47Å; V36-H176 VanDerWaalsContact CG1-ND1 3.34Å; V36-H176 WeakPolarHBondContact CG1-ND1 2.79Å; V36-V179 HydrophobicContact CB-CG1 4.32Å; V36-V179 HydrophobicContact CG1-CB 4.35Å; V36-V179 HydrophobicContact CG1-CG1 4.03Å; V36-V179 HydrophobicContact CG1-CG2 3.99Å
37F96.6Very high93.7Very high20 Ų2047.7 Ų47.79%0.08828%0.279CS..Hα-helixtrans-69.5-45.7174.7175-109000112.6L33 L34 M35 V56 L58 I69 V179 H180 F183L33-F37 WeakPolarHBondContact O-CB 3.42Å; L33-F37 PolarHBondContact O-N 3.05Å; L33-F37 VanDerWaalsContact O-N 3.14Å; L34-F37 WeakPolarHBondContact O-CB 3.29Å; L34-F37 PolarHBondContact O-N 3.42Å; L34-F37 VanDerWaalsContact O-N 3.09Å; M35-F37 VanDerWaalsContact C-N 3.3Å; M35-F37 PolarHBondContact O-N 3.01Å; F37-V56 HydrophobicContact CD1-CG2 4.21Å; F37-V56 HydrophobicContact CE1-CB 3.81Å; F37-V56 HydrophobicContact CE1-CG1 3.68Å; F37-V56 HydrophobicContact CE1-CG2 3.87Å; F37-V56 HydrophobicContact CZ-CB 4.45Å; F37-V56 HydrophobicContact CZ-CG1 3.91Å; F37-L58 HydrophobicContact CZ-CD1 4.38Å; F37-I69 HydrophobicContact CD1-CD1 3.65Å; F37-I69 HydrophobicContact CE1-CD1 3.57Å; F37-V179 HydrophobicContact CB-CG1 3.68Å; F37-H180 AromaticContact CE2-CD2 3.72Å; F37-F183 HydrophobicContact CB-CD2 3.55Å; F37-F183 HydrophobicContact CB-CE2 3.37Å; F37-F183 HydrophobicContact CB-CG 4.49Å; F37-F183 HydrophobicContact CB-CZ 4.21Å; F37-F183 HydrophobicContact CD1-CB 4.24Å; F37-F183 HydrophobicContact CD1-CD1 4.07Å; F37-F183 AromaticContact CD1-CD2 3.61Å; F37-F183 HydrophobicContact CD1-CD2 3.61Å; F37-F183 HydrophobicContact CD1-CE1 4.33Å; F37-F183 AromaticContact CD1-CE2 3.88Å; F37-F183 HydrophobicContact CD1-CE2 3.88Å; F37-F183 AromaticContact CD1-CG 3.7Å; F37-F183 HydrophobicContact CD1-CG 3.7Å; F37-F183 HydrophobicContact CD1-CZ 4.23Å; F37-F183 HydrophobicContact CD2-CB 3.91Å; F37-F183 AromaticContact CD2-CD2 3.43Å; F37-F183 HydrophobicContact CD2-CD2 3.43Å; F37-F183 VanDerWaalsContact CD2-CD2 3.43Å; F37-F183 HydrophobicContact CD2-CE2 4.19Å; F37-F183 AromaticContact CD2-CG 3.88Å; F37-F183 HydrophobicContact CD2-CG 3.88Å; F37-F183 HydrophobicContact CE1-CB 3.89Å; F37-F183 HydrophobicContact CE1-CD1 4.14Å; F37-F183 HydrophobicContact CE1-CD2 4.16Å; F37-F183 AromaticContact CE1-CG 3.8Å; F37-F183 HydrophobicContact CE1-CG 3.8Å; F37-F183 HydrophobicContact CE2-CB 3.53Å; F37-F183 AromaticContact CE2-CD2 3.99Å; F37-F183 HydrophobicContact CE2-CD2 3.99Å; F37-F183 AromaticContact CE2-CG 3.97Å; F37-F183 HydrophobicContact CE2-CG 3.97Å; F37-F183 HydrophobicContact CG-CB 4.25Å; F37-F183 HydrophobicContact CG-CD1 4.49Å; F37-F183 AromaticContact CG-CD2 3.2Å; F37-F183 HydrophobicContact CG-CD2 3.2Å; F37-F183 AromaticContact CG-CE2 3.54Å; F37-F183 HydrophobicContact CG-CE2 3.54Å; F37-F183 AromaticContact CG-CG 3.74Å; F37-F183 HydrophobicContact CG-CG 3.74Å; F37-F183 HydrophobicContact CG-CZ 4.32Å; F37-F183 HydrophobicContact CZ-CB 3.52Å; F37-F183 HydrophobicContact CZ-CD2 4.32Å; F37-F183 AromaticContact CZ-CG 3.93Å; F37-F183 HydrophobicContact CZ-CG 3.93Å
38A92.9Very high93.3Very high8 Ų850 Ų507%0.06629%0.288CS..Hα-helixtrans-77.4-48.1-174.900000112.5A3 L34 M35 Y54 V56A3-A38 WeakPolarHBondContact CB-O 3.36Å; L34-A38 HydrophobicContact CD1-CB 4.47Å; L34-A38 WeakPolarHBondContact O-CB 3.39Å; L34-A38 PolarHBondContact O-N 3.47Å; M35-A38 PolarHBondContact O-N 3.48Å; A38-Y54 HydrophobicContact CB-CD1 3.43Å; A38-Y54 VanDerWaalsContact CB-CD1 3.43Å; A38-Y54 HydrophobicContact CB-CE1 3.65Å; A38-Y54 HydrophobicContact CB-CG 4.27Å; A38-V56 HydrophobicContact CB-CG2 4.01Å
39D92.3Very high92.8Very high64 Ų6450.6 Ų50.634%0.34229%0.292SS..Hα-helixtrans-109.7-10.2-168-53.6-37.1000112.8M35 A41 Y54M35-D39 WeakPolarHBondContact O-CA 3.38Å; M35-D39 WeakPolarHBondContact O-CB 3.36Å; M35-D39 PolarHBondContact O-N 2.86Å; D39-A41 PolarHBondContact O-N 3.24Å; D39-Y54 PolarHBondContact OD2-OH 3.15Å
40G92.6Very high92.4Very high46 Ų4653.4 Ų53.447%0.47431%0.307SS..SBendtrans68.617-176.900000113.5M35 V36 H176M35-G40 PolarHBondContact O-N 3.45Å; V36-G40 VanDerWaalsContact O-CA 3.24Å; V36-G40 WeakPolarHBondContact O-CA 2.99Å; V36-G40 PolarHBondContact O-N 3.04Å; V36-G40 VanDerWaalsContact O-N 3.16Å; G40-H176 PolarHBondContact O-CE1 2.68Å; G40-H176 VanDerWaalsContact O-CE1 3.25Å
41A92.4Very high91.9Very high55 Ų5556 Ų5646%0.45532%0.318SS..  trans-127.1133-178.100000111.5V36 D39V36-A41 WeakPolarHBondContact CG2-O 3.32Å; D39-A41 PolarHBondContact O-N 3.24Å
42F93.4Very high91.5Very high71 Ų7159.2 Ų59.231%0.31133%0.331SS..  trans-81.9136.9173-173.6-90.2000109.9V36 A173 R174V36-F42 HydrophobicContact CG2-CB 3.98Å; V36-F42 HydrophobicContact CG2-CD2 4.03Å; V36-F42 HydrophobicContact CG2-CG 4.5Å; F42-A173 HydrophobicContact CD2-CB 4Å; F42-A173 HydrophobicContact CE2-CB 3.99Å; F42-R174 HydrophobicContact CD2-CB 4.2Å; F42-R174 HydrophobicContact CE2-CB 3.95Å; F42-R174 HydrophobicContact CZ-CB 4.34Å
43P89.8Confident91.3Very high31 Ų3164.5 Ų64.520%0.20135%0.347CS..  trans-66.7134.6-179.226-32.9000112.3M35M35-P43 HydrophobicContact CE-CB 3.3Å; M35-P43 HydrophobicContact CE-CG 3.22Å
44E87.5Confident91Very high204 Ų20466.7 Ų66.795%0.95336%0.355SS*.SBendtrans-78.5-26.3177.2-62.8-168.4161.600113.1
45S87.6Confident90.8Very high88 Ų8868.3 Ų68.362%0.61536%0.363SS*.SBendtrans-126.4149.9179.161.90000111.4
46Y82.8Confident90.7Very high144 Ų14467.3 Ų67.357%0.56536%0.36SS*.  trans-92.4116.6174.6175.5-112000110.2P48Y46-P48 HydrophobicContact CE1-CG 3.84Å
47T86.1Confident90.5Very high103 Ų10372.2 Ų72.263%0.63239%0.386SS*.  trans-116.2122.4168.4-55.10000108.4T49T47-T49 PolarHBondContact O-N 3.18Å
48P87.8Confident90.3Very high76 Ų7671.7 Ų71.749%0.49438%0.384SS..  trans-55.2121.6174-2936.9000112.5Y46Y46-P48 HydrophobicContact CE1-CG 3.84Å
49T88.1Confident90.2Very high17 Ų1778.2 Ų78.210%0.10441%0.413CS..  trans-72.1134.6177-50.40000111.2T31 T47 E52 A73T31-T49 PolarHBondContact OG1-OG1 3.06Å; T47-T49 PolarHBondContact O-N 3.18Å; T49-E52 HydrophobicContact CG2-CG 4.15Å; T49-A73 WeakPolarHBondContact O-CA 3.37Å; T49-A73 WeakPolarHBondContact O-CB 3.13Å
50V88.4Confident90Very high70 Ų7075.7 Ų75.742%0.42440%0.399SS..SBendtrans-89.5-58.8163.7178.30000109A73 Y78 L81V50-A73 WeakPolarHBondContact O-CB 3.4Å; V50-A73 PolarHBondContact O-N 3.36Å; V50-Y78 HydrophobicContact CB-CE1 4.25Å; V50-Y78 HydrophobicContact CG1-CD1 4.03Å; V50-Y78 HydrophobicContact CG1-CE1 3.53Å; V50-Y78 HydrophobicContact CG2-CE1 4.09Å; V50-Y78 WeakPolarHBondContact CG2-OH 3.2Å; V50-L81 HydrophobicContact CG1-CD2 4.39Å
51F88.4Confident89.8Confident62 Ų6280 Ų8027%0.27241%0.405SS..EExtended strand (participates in β ladder)trans-164.6139.5176.1171.4-109000109.1R53 W70 D71 F85F51-R53 HydrophobicContact CE1-CB 4.12Å; F51-R53 HydrophobicContact CZ-CB 3.92Å; F51-W70 HydrophobicContact CE2-CB 4.08Å; F51-W70 AromaticContact CE2-CD1 3.34Å; F51-W70 AromaticContact CE2-CG 3.89Å; F51-W70 HydrophobicContact CE2-CG 3.89Å; F51-W70 AromaticContact CZ-CD1 3.49Å; F51-W70 VanDerWaalsContact CZ-CD1 3.49Å; F51-W70 HydrophobicContact CZ-CG 4.14Å; F51-W70 AromaticContact CZ-NE1 3.77Å; F51-D71 WeakPolarHBondContact CA-O 3.41Å; F51-D71 WeakPolarHBondContact CD2-O 3.43Å; F51-F85 HydrophobicContact CB-CE2 4.09Å; F51-F85 HydrophobicContact CB-CZ 3.83Å; F51-F85 AromaticContact CD1-CE1 3.87Å; F51-F85 HydrophobicContact CD1-CE1 3.87Å; F51-F85 AromaticContact CD1-CZ 4Å; F51-F85 HydrophobicContact CD1-CZ 4Å; F51-F85 AromaticContact CD2-CD1 3.79Å; F51-F85 HydrophobicContact CD2-CD1 3.79Å; F51-F85 AromaticContact CD2-CD2 3.86Å; F51-F85 HydrophobicContact CD2-CD2 3.86Å; F51-F85 AromaticContact CD2-CE1 3.62Å; F51-F85 HydrophobicContact CD2-CE1 3.62Å; F51-F85 AromaticContact CD2-CE2 3.7Å; F51-F85 HydrophobicContact CD2-CE2 3.7Å; F51-F85 AromaticContact CD2-CG 3.91Å; F51-F85 HydrophobicContact CD2-CG 3.91Å; F51-F85 AromaticContact CD2-CZ 3.58Å; F51-F85 HydrophobicContact CD2-CZ 3.58Å; F51-F85 HydrophobicContact CE1-CD1 4.39Å; F51-F85 AromaticContact CE1-CE1 3.93Å; F51-F85 HydrophobicContact CE1-CE1 3.93Å; F51-F85 AromaticContact CE2-CD1 3.53Å; F51-F85 HydrophobicContact CE2-CD1 3.53Å; F51-F85 HydrophobicContact CE2-CD2 4.26Å; F51-F85 AromaticContact CE2-CE1 3.7Å; F51-F85 HydrophobicContact CE2-CE1 3.7Å; F51-F85 HydrophobicContact CE2-CE2 4.41Å; F51-F85 AromaticContact CE2-CG 3.83Å; F51-F85 HydrophobicContact CE2-CG 3.83Å; F51-F85 HydrophobicContact CE2-CZ 4.16Å; F51-F85 HydrophobicContact CG-CD1 4.35Å; F51-F85 AromaticContact CG-CE1 3.71Å; F51-F85 HydrophobicContact CG-CE1 3.71Å; F51-F85 AromaticContact CG-CE2 3.95Å; F51-F85 HydrophobicContact CG-CE2 3.95Å; F51-F85 AromaticContact CG-CZ 3.49Å; F51-F85 HydrophobicContact CG-CZ 3.49Å; F51-F85 VanDerWaalsContact CG-CZ 3.49Å; F51-F85 AromaticContact CZ-CD1 3.84Å; F51-F85 HydrophobicContact CZ-CD1 3.84Å; F51-F85 AromaticContact CZ-CE1 3.84Å; F51-F85 HydrophobicContact CZ-CE1 3.84Å
52E89.5Confident89.5Confident100 Ų10080.5 Ų80.547%0.46742%0.415SS..EExtended strand (participates in β ladder)trans-137.4142.1172.4-74-68170.800110.2T49 D71T49-E52 HydrophobicContact CG2-CG 4.15Å; E52-D71 HydrophobicContact CB-CB 4.24Å; E52-D71 PolarHBondContact N-O 2.83Å; E52-D71 PolarHBondContact O-N 3.14Å
53R92.5Very high89.2Confident137 Ų13784.8 Ų84.852%0.51743%0.43SS..EExtended strand (participates in β ladder)trans-121.4124.3174.8176.6-179.7165.1163.3-0.9109.9F51 I69 W70F51-R53 HydrophobicContact CE1-CB 4.12Å; F51-R53 HydrophobicContact CZ-CB 3.92Å; R53-I69 WeakPolarHBondContact CA-O 3.41Å; R53-W70 HydrophobicContact CG-CD2 4.49Å; R53-W70 HydrophobicContact CG-CE3 4.28Å; R53-W70 HydrophobicContact CG-CH2 3.95Å; R53-W70 HydrophobicContact CG-CZ2 4.27Å; R53-W70 HydrophobicContact CG-CZ3 3.83Å; R53-W70 VanDerWaalsContact CZ-CH2 3.45Å; R53-W70 VanDerWaalsContact NE-CH2 3.33Å
54Y92.9Very high89.3Confident48 Ų4887 Ų8719%0.18844%0.444CS..EExtended strand (participates in β ladder)trans-118.6149.8174.1-99.5-101000111.7L34 A38 D39 I69L34-Y54 HydrophobicContact CD1-CG 4.25Å; L34-Y54 HydrophobicContact CD2-CD2 4.01Å; L34-Y54 HydrophobicContact CD2-CG 4.42Å; L34-Y54 HydrophobicContact CG-CD2 4.41Å; A38-Y54 HydrophobicContact CB-CD1 3.43Å; A38-Y54 VanDerWaalsContact CB-CD1 3.43Å; A38-Y54 HydrophobicContact CB-CE1 3.65Å; A38-Y54 HydrophobicContact CB-CG 4.27Å; D39-Y54 PolarHBondContact OD2-OH 3.15Å; Y54-I69 PolarHBondContact N-O 3.44Å; Y54-I69 PolarHBondContact O-N 3.02Å
55M93.7Very high89.6Confident35 Ų3577.2 Ų77.217%0.17240%0.398CS..EExtended strand (participates in β ladder)trans-121.3126.1169.7-169.4177.880.100109.4A6 E9 L67 H68A6-M55 HydrophobicContact CB-CE 4.29Å; E9-M55 HydrophobicContact CB-CE 4.37Å; E9-M55 WeakPolarHBondContact O-CE 3.45Å; M55-L67 CarbonylContact C-O 3.51Å; M55-L67 VanDerWaalsContact CA-O 3.28Å; M55-L67 WeakPolarHBondContact CA-O 3.38Å; M55-H68 VanDerWaalsContact SD-CE1 3.59Å
56V92.9Very high89.9Confident27 Ų2773.8 Ų73.816%0.16437%0.372CS..EExtended strand (participates in β ladder)trans-131.9132.7-179.4-177.50000109.6F37 A38 L67 I69F37-V56 HydrophobicContact CD1-CG2 4.21Å; F37-V56 HydrophobicContact CE1-CB 3.81Å; F37-V56 HydrophobicContact CE1-CG1 3.68Å; F37-V56 HydrophobicContact CE1-CG2 3.87Å; F37-V56 HydrophobicContact CZ-CB 4.45Å; F37-V56 HydrophobicContact CZ-CG1 3.91Å; A38-V56 HydrophobicContact CB-CG2 4.01Å; V56-L67 PolarHBondContact N-O 3.3Å; V56-L67 PolarHBondContact O-N 3.48Å; V56-I69 HydrophobicContact CG2-CD1 4.24Å
57N92.6Very high90.5Very high111 Ų11166.9 Ų66.959%0.59435%0.345SS*.EExtended strand (participates in β ladder)trans-85.1120.7172.9-66.8-30.1000109.6H66N57-H66 PolarHBondContact OD1-CD2 2.65Å; N57-H66 PolarHBondContact OD1-NE2 2.88Å
58L91.5Very high91.1Very high9 Ų963.3 Ų63.35%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-121.1143.8179.7-173.568.5000110.4F37 V60 V65 L67 H180 Q184 A187F37-L58 HydrophobicContact CZ-CD1 4.38Å; L58-V60 HydrophobicContact CD2-CG2 3.9Å; L58-V60 HydrophobicContact CG-CG2 4.18Å; L58-V65 PolarHBondContact N-O 3.25Å; L58-V65 PolarHBondContact O-N 3.11Å; L58-L67 HydrophobicContact CB-CD1 3.39Å; L58-L67 HydrophobicContact CD2-CD1 3.64Å; L58-L67 HydrophobicContact CD2-CD2 4.19Å; L58-L67 HydrophobicContact CG-CD1 4.16Å; L58-H180 WeakPolarHBondContact CD1-NE2 3.44Å; L58-Q184 HydrophobicContact CD1-CG 4.14Å; L58-Q184 HydrophobicContact CD2-CG 4.03Å; L58-A187 HydrophobicContact CD2-CB 3.96Å
59Q91.1Very high91.5Very high145 Ų14559.7 Ų59.768%0.67830%0.298SS*.EExtended strand (participates in β ladder)trans-92.9121.3167.6-67.8-165.2-1.300110.6
60V89.1Confident92Very high10 Ų1060 Ų606%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-118.5112.3174.8-1780000108.5L58 G62 R63 V65 A187 E188 L191L58-V60 HydrophobicContact CD2-CG2 3.9Å; L58-V60 HydrophobicContact CG-CG2 4.18Å; V60-G62 VanDerWaalsContact C-N 3.28Å; V60-G62 PolarHBondContact O-N 3.07Å; V60-R63 PolarHBondContact N-O 3.3Å; V60-R63 PolarHBondContact O-N 3.35Å; V60-R63 VanDerWaalsContact O-N 3.07Å; V60-V65 HydrophobicContact CB-CG2 3.9Å; V60-V65 HydrophobicContact CG2-CB 4.3Å; V60-V65 HydrophobicContact CG2-CG2 3.84Å; V60-A187 HydrophobicContact CG2-CB 3.72Å; V60-E188 HydrophobicContact CG1-CG 3.63Å; V60-L191 HydrophobicContact CG1-CD1 4.45Å
61K87.3Confident92.4Very high137 Ų13756.7 Ų56.760%0.59628%0.277SS*.THydrogen-bonded Turntrans53.145.2-177.3-57.6-179.2-179.7-178.20112.5R63 E188K61-R63 PolarHBondContact O-N 3.09Å; K61-E188 WeakPolarHBondContact CE-OE1 3.14Å; K61-E188 IonicContact NZ-OE2 2.64Å
62G86.2Confident92.8Very high65 Ų6553.8 Ų53.867%0.6726%0.264SS*.THydrogen-bonded Turntrans71.76.4-179.800000115.1V60V60-G62 VanDerWaalsContact C-N 3.28Å; V60-G62 PolarHBondContact O-N 3.07Å
63R88.4Confident93.1Very high162 Ų16249.2 Ų49.261%0.61124%0.243SC*.EExtended strand (participates in β ladder)trans-109.1134.5176.5-61-176.1-174.5-174.50.7110.4V60 K61V60-R63 PolarHBondContact N-O 3.3Å; V60-R63 PolarHBondContact O-N 3.35Å; V60-R63 VanDerWaalsContact O-N 3.07Å; K61-R63 PolarHBondContact O-N 3.09Å
64P91.3Very high93.1Very high76 Ų7642.9 Ų42.949%0.49422%0.221SC..EExtended strand (participates in β ladder)trans-65.9140.4173.828.4-33.8000110.6V15V15-P64 HydrophobicContact CG1-CB 4.24Å; V15-P64 HydrophobicContact CG1-CG 4.42Å
65V93.4Very high93.2Very high0 Ų042.6 Ų42.60%022%0.221CC..EExtended strand (participates in β ladder)trans-138.2132.1177.3-178.40000107.8R16 V18 L58 V60 L67 L191R16-V65 CarbonylContact O-C 3.5Å; R16-V65 WeakPolarHBondContact O-CA 3.44Å; R16-V65 WeakPolarHBondContact O-CG1 3.33Å; V18-V65 HydrophobicContact CB-CG1 4.29Å; V18-V65 HydrophobicContact CG2-CG1 3.77Å; L58-V65 PolarHBondContact N-O 3.25Å; L58-V65 PolarHBondContact O-N 3.11Å; V60-V65 HydrophobicContact CB-CG2 3.9Å; V60-V65 HydrophobicContact CG2-CB 4.3Å; V60-V65 HydrophobicContact CG2-CG2 3.84Å; V65-L67 HydrophobicContact CB-CD1 4.4Å; V65-L67 HydrophobicContact CG1-CD1 4.02Å; V65-L191 HydrophobicContact CB-CD1 4.45Å; V65-L191 HydrophobicContact CG1-CD1 4Å; V65-L191 HydrophobicContact CG2-CD1 3.56Å
66H94.6Very high93.1Very high15 Ų1545.9 Ų45.97%0.06924%0.239CC..EExtended strand (participates in β ladder)trans-90.5112.9173.9-73.1-149.2000108.3A11 P12 V15 R16 S17 V18 N57A11-H66 WeakPolarHBondContact CA-ND1 3.32Å; A11-H66 HydrophobicContact CB-CB 4.4Å; A11-H66 WeakPolarHBondContact CB-ND1 3.35Å; P12-H66 VanDerWaalsContact CD-CE1 3.45Å; P12-H66 WeakPolarHBondContact CD-CE1 3.29Å; V15-H66 WeakPolarHBondContact CG1-CD2 3.33Å; R16-H66 PolarHBondContact O-N 3.03Å; S17-H66 CarbonylContact C-O 3.59Å; S17-H66 WeakPolarHBondContact CA-O 3.07Å; V18-H66 PolarHBondContact N-O 2.92Å; N57-H66 PolarHBondContact OD1-CD2 2.65Å; N57-H66 PolarHBondContact OD1-NE2 2.88Å
67L95.7Very high93.2Very high0 Ų051.6 Ų51.60%027%0.269CS..EExtended strand (participates in β ladder)trans-87.5126.1171.7-82.878.6000109.1V20 M55 V56 L58 V65 I69 F183 A187V20-L67 HydrophobicContact CG2-CD2 4.16Å; M55-L67 CarbonylContact C-O 3.51Å; M55-L67 VanDerWaalsContact CA-O 3.28Å; M55-L67 WeakPolarHBondContact CA-O 3.38Å; V56-L67 PolarHBondContact N-O 3.3Å; V56-L67 PolarHBondContact O-N 3.48Å; L58-L67 HydrophobicContact CB-CD1 3.39Å; L58-L67 HydrophobicContact CD2-CD1 3.64Å; L58-L67 HydrophobicContact CD2-CD2 4.19Å; L58-L67 HydrophobicContact CG-CD1 4.16Å; V65-L67 HydrophobicContact CB-CD1 4.4Å; V65-L67 HydrophobicContact CG1-CD1 4.02Å; L67-I69 HydrophobicContact CB-CD1 4.36Å; L67-I69 HydrophobicContact CB-CG1 4.14Å; L67-F183 HydrophobicContact CD2-CB 4.09Å; L67-F183 HydrophobicContact CD2-CD1 4.33Å; L67-A187 HydrophobicContact CD1-CB 4.08Å; L67-A187 HydrophobicContact CD2-CB 4.38Å; L67-A187 HydrophobicContact CG-CB 4.45Å
68H96.8Very high93.3Very high27 Ų2749.8 Ų49.813%0.12525%0.254CS..EExtended strand (participates in β ladder)trans-105.3103.9174.4-85.3-44.2000106V18 K19 V20 M55 W70V18-H68 WeakPolarHBondContact O-CB 3.08Å; V18-H68 PolarHBondContact O-N 2.77Å; K19-H68 CarbonylContact C-O 3.54Å; K19-H68 WeakPolarHBondContact CA-O 3.11Å; K19-H68 HydrophobicContact CB-CB 4.43Å; V20-H68 PolarHBondContact N-O 3.11Å; M55-H68 VanDerWaalsContact SD-CE1 3.59Å; H68-W70 VanDerWaalsContact CA-CZ3 3.43Å; H68-W70 HydrophobicContact CB-CE3 4.07Å; H68-W70 HydrophobicContact CB-CH2 3.71Å; H68-W70 HydrophobicContact CB-CZ3 3.18Å; H68-W70 AromaticContact CG-CZ3 3.92Å; H68-W70 VanDerWaalsContact O-CE3 3.29Å
69I97.8Very high93.4Very high0 Ų052.1 Ų52.10%027%0.267CS..EExtended strand (participates in β ladder)trans-109.2121.9-172.6-52.2166.4000111V20 L22 L34 F37 R53 Y54 V56 L67 F183V20-I69 HydrophobicContact CB-CG1 4.39Å; V20-I69 WeakPolarHBondContact O-CA 3.48Å; L22-I69 HydrophobicContact CD1-CG2 3.44Å; L22-I69 VanDerWaalsContact CD1-CG2 3.44Å; L34-I69 HydrophobicContact CD1-CB 3.97Å; L34-I69 HydrophobicContact CD1-CD1 3.87Å; L34-I69 HydrophobicContact CD1-CG2 3.68Å; L34-I69 HydrophobicContact CD2-CG2 4.44Å; F37-I69 HydrophobicContact CD1-CD1 3.65Å; F37-I69 HydrophobicContact CE1-CD1 3.57Å; R53-I69 WeakPolarHBondContact CA-O 3.41Å; Y54-I69 PolarHBondContact N-O 3.44Å; Y54-I69 PolarHBondContact O-N 3.02Å; V56-I69 HydrophobicContact CG2-CD1 4.24Å; L67-I69 HydrophobicContact CB-CD1 4.36Å; L67-I69 HydrophobicContact CB-CG1 4.14Å; I69-F183 HydrophobicContact CD1-CD1 3.77Å; I69-F183 HydrophobicContact CD1-CE1 3.65Å; I69-F183 HydrophobicContact CD1-CZ 4.41Å; I69-F183 HydrophobicContact CG1-CD1 4.36Å; I69-F183 HydrophobicContact CG1-CE1 4.17Å; I69-F183 HydrophobicContact CG2-CE1 3.95Å
70W97.8Very high93.6Very high25 Ų2556.6 Ų56.610%0.09528%0.278CS..EExtended strand (participates in β ladder)trans-107.4109.1-179.8-81.7-124.1000107K19 V20 V21 L22 F51 R53 H68K19-W70 HydrophobicContact CD-CD2 4.44Å; K19-W70 HydrophobicContact CD-CZ2 4.4Å; K19-W70 HydrophobicContact CG-CD2 4.3Å; K19-W70 HydrophobicContact CG-CE3 4.06Å; K19-W70 HydrophobicContact CG-CZ3 4.41Å; V20-W70 PolarHBondContact O-N 3.21Å; V21-W70 HydrophobicContact CB-CB 4.37Å; V21-W70 HydrophobicContact CG1-CB 4.13Å; V21-W70 HydrophobicContact CG2-CB 4.12Å; L22-W70 PolarHBondContact N-O 3.23Å; F51-W70 HydrophobicContact CE2-CB 4.08Å; F51-W70 AromaticContact CE2-CD1 3.34Å; F51-W70 AromaticContact CE2-CG 3.89Å; F51-W70 HydrophobicContact CE2-CG 3.89Å; F51-W70 AromaticContact CZ-CD1 3.49Å; F51-W70 VanDerWaalsContact CZ-CD1 3.49Å; F51-W70 HydrophobicContact CZ-CG 4.14Å; F51-W70 AromaticContact CZ-NE1 3.77Å; R53-W70 HydrophobicContact CG-CD2 4.49Å; R53-W70 HydrophobicContact CG-CE3 4.28Å; R53-W70 HydrophobicContact CG-CH2 3.95Å; R53-W70 HydrophobicContact CG-CZ2 4.27Å; R53-W70 HydrophobicContact CG-CZ3 3.83Å; R53-W70 VanDerWaalsContact CZ-CH2 3.45Å; R53-W70 VanDerWaalsContact NE-CH2 3.33Å; H68-W70 VanDerWaalsContact CA-CZ3 3.43Å; H68-W70 HydrophobicContact CB-CE3 4.07Å; H68-W70 HydrophobicContact CB-CH2 3.71Å; H68-W70 HydrophobicContact CB-CZ3 3.18Å; H68-W70 AromaticContact CG-CZ3 3.92Å; H68-W70 VanDerWaalsContact O-CE3 3.29Å
71D97.1Very high93.9Very high0 Ų059.2 Ų59.20%029%0.291CS..EExtended strand (participates in β ladder)trans-90.9133168.3-17630.4000109.3K30 T31 L34 F51 E52K30-D71 WeakPolarHBondContact CB-OD1 3.41Å; T31-D71 VanDerWaalsContact CA-OD2 3.24Å; T31-D71 WeakPolarHBondContact CA-OD2 3.35Å; T31-D71 VanDerWaalsContact CB-OD2 3.22Å; T31-D71 WeakPolarHBondContact CB-OD2 3.35Å; T31-D71 WeakPolarHBondContact CG2-OD2 3.23Å; T31-D71 PolarHBondContact OG1-OD2 2.9Å; L34-D71 HydrophobicContact CD2-CB 3.6Å; F51-D71 WeakPolarHBondContact CA-O 3.41Å; F51-D71 WeakPolarHBondContact CD2-O 3.43Å; E52-D71 HydrophobicContact CB-CB 4.24Å; E52-D71 PolarHBondContact N-O 2.83Å; E52-D71 PolarHBondContact O-N 3.14Å
72T97.1Very high94.3Very high1 Ų152.8 Ų52.81%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-122.2148.9-171.170.30000111.8V21 L22 K30 R82 F85V21-T72 HydrophobicContact CG1-CG2 3.91Å; L22-T72 PolarHBondContact O-OG1 3.39Å; K30-T72 WeakPolarHBondContact CE-O 3.41Å; T72-R82 HydrophobicContact CG2-CG 4.27Å; T72-F85 HydrophobicContact CG2-CB 4.46Å; T72-F85 HydrophobicContact CG2-CD2 4.28Å
73A94.6Very high94.8Very high3 Ų350.8 Ų50.83%0.02524%0.238CC..  trans-56.4137.1170.700000111.9T49 V50 Y78 R82T49-A73 WeakPolarHBondContact O-CA 3.37Å; T49-A73 WeakPolarHBondContact O-CB 3.13Å; V50-A73 WeakPolarHBondContact O-CB 3.4Å; V50-A73 PolarHBondContact O-N 3.36Å; A73-Y78 HydrophobicContact CB-CD1 4.4Å; A73-Y78 HydrophobicContact CB-CD2 3.37Å; A73-Y78 HydrophobicContact CB-CE2 4.17Å; A73-Y78 HydrophobicContact CB-CG 3.5Å; A73-R82 PolarHBondContact O-NE 3.39Å; A73-R82 PolarHBondContact O-NH2 3.16Å
74G94.1Very high95.2Very high4 Ų448.8 Ų48.84%0.04124%0.239CC..  trans-100.23175.500000114.1G24 G26G24-G74 WeakPolarHBondContact O-CA 3.3Å; G26-G74 PolarHBondContact N-O 3.03Å
75Q93.4Very high95.4Very high42 Ų4246.8 Ų46.820%0.19622%0.223CC..SBendtrans-91.5149.8-178.5-55.780-8.200110.6D77 Y78 R82Q75-D77 PolarHBondContact O-N 3.02Å; Q75-Y78 HydrophobicContact CB-CD2 4.14Å; Q75-Y78 PolarHBondContact O-N 2.77Å; Q75-R82 PolarHBondContact O-NH2 3.04Å; Q75-R82 VanDerWaalsContact O-NH2 3.11Å
76D92.4Very high95.6Very high104 Ų10447.1 Ų47.156%0.55622%0.224SC*.G310 helixtrans-63.6-31.2-175.9-57.92000112.1Y78 D79 R110D76-Y78 PolarHBondContact O-N 3.13Å; D76-D79 WeakPolarHBondContact O-CB 3.43Å; D76-D79 PolarHBondContact O-N 2.99Å; D76-R110 IonicContact OD1-CZ 3.24Å; D76-R110 IonicContact OD1-NH1 2.65Å; D76-R110 PolarHBondContact OD1-NH1 3.44Å; D76-R110 IonicContact OD1-NH2 3.73Å; D76-R110 PolarHBondContact OD1-NH2 3.2Å
77D94.9Very high95.7Very high148 Ų14849.9 Ų49.979%0.79124%0.244SC*.G310 helixtrans-55.6-22.5177.3-61.8-36000113Q75Q75-D77 PolarHBondContact O-N 3.02Å
78Y94.4Very high95.7Very high72 Ų7256.9 Ų56.928%0.28228%0.281SS..G310 helixtrans-106.68.2-178.2-59.3-76.8000113.9V50 A73 Q75 D76 R80 L81 R82V50-Y78 HydrophobicContact CB-CE1 4.25Å; V50-Y78 HydrophobicContact CG1-CD1 4.03Å; V50-Y78 HydrophobicContact CG1-CE1 3.53Å; V50-Y78 HydrophobicContact CG2-CE1 4.09Å; V50-Y78 WeakPolarHBondContact CG2-OH 3.2Å; A73-Y78 HydrophobicContact CB-CD1 4.4Å; A73-Y78 HydrophobicContact CB-CD2 3.37Å; A73-Y78 HydrophobicContact CB-CE2 4.17Å; A73-Y78 HydrophobicContact CB-CG 3.5Å; Q75-Y78 HydrophobicContact CB-CD2 4.14Å; Q75-Y78 PolarHBondContact O-N 2.77Å; D76-Y78 PolarHBondContact O-N 3.13Å; Y78-R80 PolarHBondContact O-N 3.47Å; Y78-R80 VanDerWaalsContact O-N 3.17Å; Y78-L81 HydrophobicContact CD1-CD2 4.04Å; Y78-L81 PolarHBondContact O-N 2.91Å; Y78-R82 PolarHBondContact O-N 3.24Å
79D94.4Very high95.7Very high59 Ų5956 Ų5632%0.31628%0.279SS..THydrogen-bonded Turntrans-58.5-31.3-177.9-78.9-11.8000113.6D76 R82 P83 R110D76-D79 WeakPolarHBondContact O-CB 3.43Å; D76-D79 PolarHBondContact O-N 2.99Å; D79-R82 IonicContact OD1-CZ 3.72Å; D79-R82 VanDerWaalsContact OD1-CZ 3.25Å; D79-R82 IonicContact OD1-NH1 3.25Å; D79-R82 PolarHBondContact OD1-NH1 3Å; D79-R82 IonicContact OD1-NH2 2.85Å; D79-R82 PolarHBondContact OD1-NH2 3.47Å; D79-P83 WeakPolarHBondContact O-CD 3.39Å; D79-R110 IonicContact OD1-CZ 3.82Å; D79-R110 IonicContact OD1-NH2 2.97Å; D79-R110 PolarHBondContact OD1-NH2 3.1Å; D79-R110 IonicContact OD2-NH2 2.99Å; D79-R110 PolarHBondContact OD2-NH2 3.44Å
80R95.1Very high95.7Very high238 Ų23857.9 Ų57.990%0.89829%0.292SS*.THydrogen-bonded Turntrans-81.5-24.5176.2-64.2-176.1-178.7-177.51.2113.4Y78Y78-R80 PolarHBondContact O-N 3.47Å; Y78-R80 VanDerWaalsContact O-N 3.17Å
81L94.8Very high95.7Very high66 Ų6656.7 Ų56.735%0.34629%0.287SS..THydrogen-bonded Turntrans-85.4-41-178.7-169.982.2000111.1V50 Y78 P83 L84 F85V50-L81 HydrophobicContact CG1-CD2 4.39Å; Y78-L81 HydrophobicContact CD1-CD2 4.04Å; Y78-L81 PolarHBondContact O-N 2.91Å; L81-P83 VanDerWaalsContact C-CD 3.43Å; L81-P83 VanDerWaalsContact C-N 3.33Å; L81-L84 HydrophobicContact CD1-CD1 4.07Å; L81-L84 VanDerWaalsContact O-CB 3.28Å; L81-L84 WeakPolarHBondContact O-CB 3.23Å; L81-L84 WeakPolarHBondContact O-CG 3.35Å; L81-L84 PolarHBondContact O-N 3.34Å; L81-F85 HydrophobicContact CD2-CE2 4.06Å; L81-F85 HydrophobicContact CD2-CZ 4.18Å; L81-F85 HydrophobicContact CG-CE2 4.04Å; L81-F85 HydrophobicContact CG-CZ 4.24Å
82R96.7Very high95.8Very high2 Ų256.8 Ų56.81%0.00829%0.287CS..G310 helixtrans-51.2-42.1-174.8-162-176.8-48.1106.54.8113.8T72 A73 Q75 Y78 D79 L84 F85 Y86 W111 E114T72-R82 HydrophobicContact CG2-CG 4.27Å; A73-R82 PolarHBondContact O-NE 3.39Å; A73-R82 PolarHBondContact O-NH2 3.16Å; Q75-R82 PolarHBondContact O-NH2 3.04Å; Q75-R82 VanDerWaalsContact O-NH2 3.11Å; Y78-R82 PolarHBondContact O-N 3.24Å; D79-R82 IonicContact OD1-CZ 3.72Å; D79-R82 VanDerWaalsContact OD1-CZ 3.25Å; D79-R82 IonicContact OD1-NH1 3.25Å; D79-R82 PolarHBondContact OD1-NH1 3Å; D79-R82 IonicContact OD1-NH2 2.85Å; D79-R82 PolarHBondContact OD1-NH2 3.47Å; R82-L84 PolarHBondContact O-N 3.2Å; R82-L84 VanDerWaalsContact O-N 3.15Å; R82-F85 WeakPolarHBondContact O-CB 3.47Å; R82-F85 WeakPolarHBondContact O-CD2 3.46Å; R82-F85 PolarHBondContact O-N 2.97Å; R82-F85 VanDerWaalsContact O-N 3.08Å; R82-Y86 WeakPolarHBondContact CD-OH 3.49Å; R82-Y86 HydrophobicContact CG-CE1 4.39Å; R82-W111 VanDerWaalsContact CZ-CZ3 3.44Å; R82-E114 WeakPolarHBondContact CD-OE1 3.34Å; R82-E114 IonicContact CZ-OE1 2.65Å; R82-E114 IonicContact NE-OE1 3.77Å; R82-E114 VanDerWaalsContact NH1-CD 3.27Å; R82-E114 IonicContact NH1-OE1 3.11Å; R82-E114 PolarHBondContact NH1-OE1 2.79Å; R82-E114 IonicContact NH1-OE2 2.98Å; R82-E114 PolarHBondContact NH1-OE2 3.02Å
83P96.7Very high95.9Very high22 Ų2256.7 Ų56.714%0.14329%0.287CS..G310 helixtrans-62.9-21.9-179.7-25.937.1000115.1D79 L81 F85 Y86 F118D79-P83 WeakPolarHBondContact O-CD 3.39Å; L81-P83 VanDerWaalsContact C-CD 3.43Å; L81-P83 VanDerWaalsContact C-N 3.33Å; P83-F85 PolarHBondContact O-N 3.33Å; P83-Y86 VanDerWaalsContact CA-CD2 3.49Å; P83-Y86 HydrophobicContact CB-CD2 4.09Å; P83-Y86 HydrophobicContact CB-CE2 4.27Å; P83-Y86 HydrophobicContact CG-CE2 4.41Å; P83-Y86 WeakPolarHBondContact O-CB 3.38Å; P83-Y86 PolarHBondContact O-N 2.69Å; P83-F118 HydrophobicContact CB-CD1 3.97Å; P83-F118 HydrophobicContact CB-CD2 4.08Å; P83-F118 HydrophobicContact CB-CE1 3.77Å; P83-F118 HydrophobicContact CB-CE2 3.89Å; P83-F118 HydrophobicContact CB-CG 4.13Å; P83-F118 HydrophobicContact CB-CZ 3.74Å; P83-F118 HydrophobicContact CG-CD2 4.11Å; P83-F118 HydrophobicContact CG-CE1 4.22Å; P83-F118 HydrophobicContact CG-CE2 3.58Å; P83-F118 HydrophobicContact CG-CZ 3.64Å
84L95.8Very high96Very high121 Ų12156.6 Ų56.663%0.63429%0.286SS*.G310 helixtrans-65.3-17.6176.8-56.8179.6000112.5L81 R82 P87L81-L84 HydrophobicContact CD1-CD1 4.07Å; L81-L84 VanDerWaalsContact O-CB 3.28Å; L81-L84 WeakPolarHBondContact O-CB 3.23Å; L81-L84 WeakPolarHBondContact O-CG 3.35Å; L81-L84 PolarHBondContact O-N 3.34Å; R82-L84 PolarHBondContact O-N 3.2Å; R82-L84 VanDerWaalsContact O-N 3.15Å; L84-P87 WeakPolarHBondContact O-CD 3.34Å
85F95.9Very high96.3Very high33 Ų3356.5 Ų56.515%0.14529%0.285CS..G310 helixtrans-92.3-9.8-179.3-58.9-53000113.9K19 F51 T72 L81 R82 P83K19-F85 WeakPolarHBondContact CE-O 3.43Å; K19-F85 PolarHBondContact NZ-O 3.5Å; F51-F85 HydrophobicContact CB-CE2 4.09Å; F51-F85 HydrophobicContact CB-CZ 3.83Å; F51-F85 AromaticContact CD1-CE1 3.87Å; F51-F85 HydrophobicContact CD1-CE1 3.87Å; F51-F85 AromaticContact CD1-CZ 4Å; F51-F85 HydrophobicContact CD1-CZ 4Å; F51-F85 AromaticContact CD2-CD1 3.79Å; F51-F85 HydrophobicContact CD2-CD1 3.79Å; F51-F85 AromaticContact CD2-CD2 3.86Å; F51-F85 HydrophobicContact CD2-CD2 3.86Å; F51-F85 AromaticContact CD2-CE1 3.62Å; F51-F85 HydrophobicContact CD2-CE1 3.62Å; F51-F85 AromaticContact CD2-CE2 3.7Å; F51-F85 HydrophobicContact CD2-CE2 3.7Å; F51-F85 AromaticContact CD2-CG 3.91Å; F51-F85 HydrophobicContact CD2-CG 3.91Å; F51-F85 AromaticContact CD2-CZ 3.58Å; F51-F85 HydrophobicContact CD2-CZ 3.58Å; F51-F85 HydrophobicContact CE1-CD1 4.39Å; F51-F85 AromaticContact CE1-CE1 3.93Å; F51-F85 HydrophobicContact CE1-CE1 3.93Å; F51-F85 AromaticContact CE2-CD1 3.53Å; F51-F85 HydrophobicContact CE2-CD1 3.53Å; F51-F85 HydrophobicContact CE2-CD2 4.26Å; F51-F85 AromaticContact CE2-CE1 3.7Å; F51-F85 HydrophobicContact CE2-CE1 3.7Å; F51-F85 HydrophobicContact CE2-CE2 4.41Å; F51-F85 AromaticContact CE2-CG 3.83Å; F51-F85 HydrophobicContact CE2-CG 3.83Å; F51-F85 HydrophobicContact CE2-CZ 4.16Å; F51-F85 HydrophobicContact CG-CD1 4.35Å; F51-F85 AromaticContact CG-CE1 3.71Å; F51-F85 HydrophobicContact CG-CE1 3.71Å; F51-F85 AromaticContact CG-CE2 3.95Å; F51-F85 HydrophobicContact CG-CE2 3.95Å; F51-F85 AromaticContact CG-CZ 3.49Å; F51-F85 HydrophobicContact CG-CZ 3.49Å; F51-F85 VanDerWaalsContact CG-CZ 3.49Å; F51-F85 AromaticContact CZ-CD1 3.84Å; F51-F85 HydrophobicContact CZ-CD1 3.84Å; F51-F85 AromaticContact CZ-CE1 3.84Å; F51-F85 HydrophobicContact CZ-CE1 3.84Å; T72-F85 HydrophobicContact CG2-CB 4.46Å; T72-F85 HydrophobicContact CG2-CD2 4.28Å; L81-F85 HydrophobicContact CD2-CE2 4.06Å; L81-F85 HydrophobicContact CD2-CZ 4.18Å; L81-F85 HydrophobicContact CG-CE2 4.04Å; L81-F85 HydrophobicContact CG-CZ 4.24Å; R82-F85 WeakPolarHBondContact O-CB 3.47Å; R82-F85 WeakPolarHBondContact O-CD2 3.46Å; R82-F85 PolarHBondContact O-N 2.97Å; R82-F85 VanDerWaalsContact O-N 3.08Å; P83-F85 PolarHBondContact O-N 3.33Å
86Y97.5Very high96.5Very high7 Ų754.5 Ų54.53%0.02728%0.275CS..  trans-77.7-29.5-177.7-66.3-22000117.9V21 V23 R82 P83 D88 A89 E114 F118 C119V21-Y86 HydrophobicContact CG1-CD1 4.05Å; V21-Y86 HydrophobicContact CG1-CE1 4.01Å; V23-Y86 HydrophobicContact CG1-CE1 3.71Å; V23-Y86 WeakPolarHBondContact CG1-OH 3.41Å; R82-Y86 WeakPolarHBondContact CD-OH 3.49Å; R82-Y86 HydrophobicContact CG-CE1 4.39Å; P83-Y86 VanDerWaalsContact CA-CD2 3.49Å; P83-Y86 HydrophobicContact CB-CD2 4.09Å; P83-Y86 HydrophobicContact CB-CE2 4.27Å; P83-Y86 HydrophobicContact CG-CE2 4.41Å; P83-Y86 WeakPolarHBondContact O-CB 3.38Å; P83-Y86 PolarHBondContact O-N 2.69Å; Y86-D88 PolarHBondContact O-N 3.16Å; Y86-A89 VanDerWaalsContact O-CB 3.23Å; Y86-A89 WeakPolarHBondContact O-CB 3.47Å; Y86-A89 PolarHBondContact O-N 2.9Å; Y86-E114 HydrophobicContact CE2-CG 4.28Å; Y86-E114 PolarHBondContact OH-OE1 3.15Å; Y86-F118 HydrophobicContact CD2-CB 3.44Å; Y86-F118 VanDerWaalsContact CD2-CB 3.44Å; Y86-F118 HydrophobicContact CD2-CD2 4.01Å; Y86-F118 AromaticContact CD2-CG 3.87Å; Y86-F118 HydrophobicContact CD2-CG 3.87Å; Y86-F118 HydrophobicContact CE2-CB 4.08Å; Y86-F118 AromaticContact CE2-CD2 3.88Å; Y86-F118 HydrophobicContact CE2-CD2 3.88Å; Y86-F118 HydrophobicContact CE2-CG 4.23Å; Y86-F118 HydrophobicContact CG-CB 4.38Å; Y86-C119 WeakPolarHBondContact CB-SG 3.39Å
87P96.8Very high96.8Very high74 Ų7450.3 Ų50.348%0.48125%0.253SS..THydrogen-bonded Turntrans-50.1135.8179.6-30.336.8000111.9K19 L84 A89K19-P87 PolarHBondContact NZ-O 3.28Å; L84-P87 WeakPolarHBondContact O-CD 3.34Å; P87-A89 PolarHBondContact O-N 3.4Å; P87-A89 VanDerWaalsContact O-N 3.16Å
88D94.7Very high97Very high146 Ų14643.2 Ų43.278%0.78122%0.215SC*.THydrogen-bonded Turntrans63.214.6179.8-45.9-49.7000116Y86 S90Y86-D88 PolarHBondContact O-N 3.16Å; D88-S90 PolarHBondContact O-N 3.29Å
89A97.7Very high97.2Very high10 Ų1040.4 Ų40.48%0.08321%0.205CC..  trans-55.9124.4171.600000110.4V21 Y86 P87 L92 V122V21-A89 HydrophobicContact CG2-CB 3.85Å; Y86-A89 VanDerWaalsContact O-CB 3.23Å; Y86-A89 WeakPolarHBondContact O-CB 3.47Å; Y86-A89 PolarHBondContact O-N 2.9Å; P87-A89 PolarHBondContact O-N 3.4Å; P87-A89 VanDerWaalsContact O-N 3.16Å; A89-L92 HydrophobicContact CB-CD2 3.96Å; A89-V122 HydrophobicContact CB-CG1 4.23Å; A89-V122 WeakPolarHBondContact O-CG1 3.28Å; A89-V122 WeakPolarHBondContact O-CG2 3.5Å
90S97.4Very high97.4Very high39 Ų3939.3 Ų39.327%0.27320%0.202SC..SBendtrans-86.4-29178.2-46.80000111.8K19 D88 P123K19-S90 PolarHBondContact N-OG 3.03Å; K19-S90 WeakPolarHBondContact O-CA 3.45Å; K19-S90 WeakPolarHBondContact O-CB 3.44Å; K19-S90 PolarHBondContact O-N 3.15Å; D88-S90 PolarHBondContact O-N 3.29Å; S90-P123 WeakPolarHBondContact O-CD 3.45Å; S90-P123 WeakPolarHBondContact O-CG 3.39Å
91V98.2Very high97.5Very high0 Ų028.7 Ų28.70%016%0.164CC..EExtended strand (participates in β ladder)trans-158.1148.6177.360.50000109.7V18 K19 V20 V21 P123 I125 A186 V189 A190V18-V91 HydrophobicContact CG1-CG1 4.36Å; K19-V91 PolarHBondContact O-N 3.04Å; V20-V91 HydrophobicContact CB-CG1 4.24Å; V20-V91 HydrophobicContact CG1-CG1 4.17Å; V20-V91 HydrophobicContact CG2-CG1 3.79Å; V21-V91 PolarHBondContact N-O 3.01Å; V91-P123 HydrophobicContact CB-CG 4.29Å; V91-P123 HydrophobicContact CG2-CG 4.31Å; V91-I125 HydrophobicContact CG2-CD1 4.04Å; V91-I125 HydrophobicContact CG2-CG1 4.17Å; V91-A186 HydrophobicContact CG1-CB 3.91Å; V91-V189 HydrophobicContact CG2-CB 4.44Å; V91-V189 HydrophobicContact CG2-CG1 3.99Å; V91-A190 HydrophobicContact CB-CB 4.33Å; V91-A190 HydrophobicContact CG1-CB 4.22Å
92L98.6Very high97.7Very high1 Ų130.2 Ų30.21%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-113.6137.8177.5-58.6171.7000110.8V21 A89 L94 V115 C119 V122 P123 I124 I125V21-L92 HydrophobicContact CB-CD2 3.88Å; V21-L92 HydrophobicContact CG2-CD2 4.41Å; V21-L92 WeakPolarHBondContact O-CA 3.46Å; A89-L92 HydrophobicContact CB-CD2 3.96Å; L92-L94 HydrophobicContact CB-CD1 4.07Å; L92-V115 HydrophobicContact CD1-CB 3.57Å; L92-V115 HydrophobicContact CD1-CG1 3.96Å; L92-V115 HydrophobicContact CD1-CG2 3.93Å; L92-C119 HydrophobicContact CD1-CB 3.65Å; L92-V122 HydrophobicContact CD1-CB 4.41Å; L92-V122 HydrophobicContact CD1-CG1 4.28Å; L92-V122 HydrophobicContact CG-CB 4.48Å; L92-V122 HydrophobicContact CG-CG1 3.83Å; L92-P123 PolarHBondContact N-O 2.89Å; L92-I124 HydrophobicContact CB-CG1 4.31Å; L92-I124 HydrophobicContact CD1-CG1 4.08Å; L92-I125 PolarHBondContact O-N 2.89Å
93L98.8Very high97.8Very high0 Ų030.2 Ų30.20%017%0.173CC..EExtended strand (participates in β ladder)trans-106.1110.1169.7-57.6-172.8000109V20 V21 L22 V23 I125 V127 V182 F183 A186V20-L93 HydrophobicContact CG1-CD1 3.77Å; V20-L93 HydrophobicContact CG1-CG 3.74Å; V21-L93 PolarHBondContact O-N 2.85Å; L22-L93 HydrophobicContact CD1-CD1 4Å; L22-L93 HydrophobicContact CG-CB 4.13Å; L22-L93 HydrophobicContact CG-CD1 4.06Å; V23-L93 PolarHBondContact N-O 3.08Å; L93-I125 CarbonylContact C-O 3.58Å; L93-I125 WeakPolarHBondContact CA-O 3.1Å; L93-I125 HydrophobicContact CD2-CB 3.73Å; L93-I125 HydrophobicContact CD2-CD1 4.1Å; L93-I125 HydrophobicContact CD2-CG1 4.37Å; L93-I125 HydrophobicContact CD2-CG2 4.14Å; L93-V127 HydrophobicContact CB-CG2 4.33Å; L93-V127 HydrophobicContact CD2-CG2 4.28Å; L93-V182 HydrophobicContact CD1-CG1 3.82Å; L93-V182 HydrophobicContact CD2-CG1 4.47Å; L93-F183 HydrophobicContact CD1-CD1 4.47Å; L93-F183 HydrophobicContact CD1-CE1 4.11Å; L93-A186 HydrophobicContact CD2-CB 4.15Å
94L98.7Very high97.8Very high1 Ų130.1 Ų30.11%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-91.6101.1174.5-93.365000108.4V23 L92 V107 W111 V115 I124 I125 V126 V127V23-L94 HydrophobicContact CG2-CD1 3.44Å; V23-L94 VanDerWaalsContact CG2-CD1 3.44Å; V23-L94 HydrophobicContact CG2-CG 3.77Å; L92-L94 HydrophobicContact CB-CD1 4.07Å; L94-V107 HydrophobicContact CB-CG1 4.46Å; L94-V107 HydrophobicContact CD2-CG1 4.03Å; L94-W111 HydrophobicContact CD2-CB 4.27Å; L94-W111 HydrophobicContact CG-CB 4.34Å; L94-V115 HydrophobicContact CD1-CG1 4.17Å; L94-V115 HydrophobicContact CD1-CG2 3.94Å; L94-V115 HydrophobicContact CD2-CG2 4.21Å; L94-I124 HydrophobicContact CB-CG2 4.28Å; L94-I124 HydrophobicContact CD1-CG1 4.44Å; L94-I124 HydrophobicContact CD1-CG2 3.85Å; L94-I124 HydrophobicContact CD2-CG2 4.04Å; L94-I124 HydrophobicContact CG-CG2 4.26Å; L94-I125 PolarHBondContact N-O 2.86Å; L94-V126 HydrophobicContact CB-CG2 4.25Å; L94-V126 CarbonylContact O-C 3.49Å; L94-V126 WeakPolarHBondContact O-CA 3.36Å; L94-V127 PolarHBondContact O-N 2.98Å
95C98.9Very high98Very high1 Ų127.9 Ų27.91%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-99136.9-172.2-59.50000111.8V23 G24 C28 K30 V127V23-C95 PolarHBondContact O-N 2.86Å; G24-C95 VanDerWaalsContact CA-O 3.32Å; G24-C95 WeakPolarHBondContact CA-O 3.35Å; C28-C95 PolarHBondContact SG-O 2.96Å; C28-C95 VanDerWaalsContact SG-O 3.4Å; K30-C95 HydrophobicContact CD-CB 4.47Å; K30-C95 HydrophobicContact CG-CB 3.85Å; C95-V127 WeakPolarHBondContact CA-O 3.4Å
96F98.9Very high98.1Very high0 Ų027.8 Ų27.80%016%0.16CC..EExtended strand (participates in β ladder)trans-135.6161.9169.872.9-85.7000111V98 F104 V107 V126 V127 C129 V151 M159 Y168F96-V98 HydrophobicContact CE2-CB 4.44Å; F96-V98 HydrophobicContact CE2-CG1 3.91Å; F96-V98 HydrophobicContact CZ-CG1 4.33Å; F96-F104 HydrophobicContact CD2-CB 3.87Å; F96-F104 HydrophobicContact CD2-CD2 4.18Å; F96-F104 HydrophobicContact CE1-CD2 4.4Å; F96-F104 HydrophobicContact CE2-CB 4.2Å; F96-F104 AromaticContact CE2-CD2 3.8Å; F96-F104 HydrophobicContact CE2-CD2 3.8Å; F96-F104 HydrophobicContact CE2-CG 4.47Å; F96-F104 HydrophobicContact CG-CB 4.46Å; F96-F104 AromaticContact CZ-CD2 3.91Å; F96-F104 HydrophobicContact CZ-CD2 3.91Å; F96-V107 HydrophobicContact CB-CG2 3.82Å; F96-V107 HydrophobicContact CD1-CG2 4.09Å; F96-V107 HydrophobicContact CG-CG2 4.22Å; F96-V126 HydrophobicContact CD1-CG1 4.08Å; F96-V126 HydrophobicContact CE1-CG1 3.77Å; F96-V127 WeakPolarHBondContact CD1-O 3.45Å; F96-V127 PolarHBondContact N-O 3.2Å; F96-C129 WeakPolarHBondContact O-CB 3.48Å; F96-C129 PolarHBondContact O-N 3.49Å; F96-V151 HydrophobicContact CE2-CB 4.03Å; F96-V151 HydrophobicContact CE2-CG1 3.88Å; F96-V151 HydrophobicContact CE2-CG2 4.15Å; F96-V151 HydrophobicContact CZ-CG1 4.17Å; F96-M159 HydrophobicContact CD1-CE 3.96Å; F96-M159 HydrophobicContact CE1-CE 3.73Å; F96-M159 HydrophobicContact CZ-CE 4.48Å; F96-Y168 AromaticContact CE1-CE2 3.84Å; F96-Y168 HydrophobicContact CE1-CE2 3.84Å; F96-Y168 HydrophobicContact CZ-CE2 4.09Å
97D98.8Very high98.2Very high16 Ų1627.4 Ų27.49%0.08616%0.159CC..EExtended strand (participates in β ladder)trans-91.9120.7175.2177-15.9000109C28 T99 S100 S103 K130C28-D97 HydrophobicContact CB-CB 4.23Å; D97-T99 PolarHBondContact O-N 3.25Å; D97-T99 WeakPolarHBondContact OD1-CA 3.35Å; D97-T99 WeakPolarHBondContact OD1-CB 3.47Å; D97-T99 PolarHBondContact OD1-N 3.04Å; D97-T99 PolarHBondContact OD1-OG1 3.19Å; D97-S100 PolarHBondContact O-N 2.85Å; D97-S103 PolarHBondContact N-OG 3.38Å; D97-S103 PolarHBondContact O-OG 3.28Å; D97-K130 WeakPolarHBondContact OD2-CD 3.28Å; D97-K130 VanDerWaalsContact OD2-CE 3.26Å; D97-K130 WeakPolarHBondContact OD2-CE 3.44Å; D97-K130 IonicContact OD2-NZ 3.93Å; D97-K130 PolarHBondContact OD2-NZ 3.34Å
98V98.8Very high98.1Very high0 Ų029.3 Ų29.30%016%0.16CC..THydrogen-bonded Turntrans-64.5-12.6-176.8-57.50000113.6F96 C129 T131 R134 P150 V151F96-V98 HydrophobicContact CE2-CB 4.44Å; F96-V98 HydrophobicContact CE2-CG1 3.91Å; F96-V98 HydrophobicContact CZ-CG1 4.33Å; V98-C129 WeakPolarHBondContact CG1-O 3.3Å; V98-C129 WeakPolarHBondContact CG2-O 3.47Å; V98-C129 PolarHBondContact N-O 2.76Å; V98-T131 HydrophobicContact CG1-CG2 4.26Å; V98-T131 HydrophobicContact CG2-CG2 4.34Å; V98-R134 VanDerWaalsContact CG1-NH2 3.27Å; V98-R134 HydrophobicContact CG2-CG 3.75Å; V98-P150 CarbonylContact O-C 3.51Å; V98-P150 WeakPolarHBondContact O-CA 3.41Å; V98-V151 PolarHBondContact O-N 2.96Å
99T98.2Very high98.3Very high12 Ų1227.6 Ų27.67%0.07415%0.15CC..THydrogen-bonded Turntrans-100.60.3175.269.10000113.8D97 P101 L133 L139 L143D97-T99 PolarHBondContact O-N 3.25Å; D97-T99 WeakPolarHBondContact OD1-CA 3.35Å; D97-T99 WeakPolarHBondContact OD1-CB 3.47Å; D97-T99 PolarHBondContact OD1-N 3.04Å; D97-T99 PolarHBondContact OD1-OG1 3.19Å; T99-P101 WeakPolarHBondContact O-CD 3.22Å; T99-L133 HydrophobicContact CG2-CB 3.48Å; T99-L133 VanDerWaalsContact CG2-CB 3.48Å; T99-L139 HydrophobicContact CG2-CD2 3.96Å; T99-L143 WeakPolarHBondContact O-CD1 3.42Å
100S98.4Very high98.3Very high36 Ų3629.5 Ų29.525%0.25216%0.155SC..  trans-116.195.6174.91770000110.3D97 N102 S103 F104D97-S100 PolarHBondContact O-N 2.85Å; S100-N102 PolarHBondContact O-N 2.82Å; S100-S103 WeakPolarHBondContact CB-OG 3.48Å; S100-S103 PolarHBondContact O-N 3.41Å; S100-S103 PolarHBondContact O-OG 3.01Å; S100-S103 PolarHBondContact OG-N 2.87Å; S100-F104 PolarHBondContact O-N 3.48Å
101P97.6Very high98.3Very high16 Ų1627.7 Ų27.710%0.10414%0.142CC..Hα-helixtrans-52.8-35.7173.6-28.836.9000113T99 S103 F104 D105 L148 E149T99-P101 WeakPolarHBondContact O-CD 3.22Å; P101-S103 PolarHBondContact O-N 3.26Å; P101-F104 WeakPolarHBondContact O-CB 3.33Å; P101-F104 PolarHBondContact O-N 3.43Å; P101-D105 PolarHBondContact O-N 2.94Å; P101-L148 HydrophobicContact CG-CB 4.28Å; P101-L148 HydrophobicContact CG-CD1 4.49Å; P101-L148 HydrophobicContact CG-CD2 4.42Å; P101-E149 WeakPolarHBondContact CG-O 3.38Å
102N98.1Very high98.3Very high98 Ų9830.4 Ų30.452%0.52415%0.153SC..Hα-helixtrans-60.2-45175.3-17580.1000112.4S100 F104 D105 N106S100-N102 PolarHBondContact O-N 2.82Å; N102-F104 PolarHBondContact O-N 2.85Å; N102-D105 PolarHBondContact O-N 3Å; N102-N106 PolarHBondContact ND2-ND2 3.29Å; N102-N106 WeakPolarHBondContact O-CB 3.32Å; N102-N106 PolarHBondContact O-N 2.9Å
103S98.6Very high98.3Very high2 Ų233.3 Ų33.31%0.01417%0.172CC..Hα-helixtrans-66.3-29.3178.175.10000112.8D25 D97 S100 P101 V107D25-S103 VanDerWaalsContact OD2-CA 3.28Å; D25-S103 WeakPolarHBondContact OD2-CA 3.28Å; D25-S103 WeakPolarHBondContact OD2-CB 3.43Å; D97-S103 PolarHBondContact N-OG 3.38Å; D97-S103 PolarHBondContact O-OG 3.28Å; S100-S103 WeakPolarHBondContact CB-OG 3.48Å; S100-S103 PolarHBondContact O-N 3.41Å; S100-S103 PolarHBondContact O-OG 3.01Å; S100-S103 PolarHBondContact OG-N 2.87Å; P101-S103 PolarHBondContact O-N 3.26Å; S103-V107 WeakPolarHBondContact O-CG2 3.41Å; S103-V107 PolarHBondContact O-N 2.9Å
104F98.7Very high98.3Very high19 Ų1934.6 Ų34.68%0.08318%0.178CC..Hα-helixtrans-69.9-46.5173.6168.9-92.5000111.5F96 S100 P101 N102 N106 V107 V151 R155 M159F96-F104 HydrophobicContact CD2-CB 3.87Å; F96-F104 HydrophobicContact CD2-CD2 4.18Å; F96-F104 HydrophobicContact CE1-CD2 4.4Å; F96-F104 HydrophobicContact CE2-CB 4.2Å; F96-F104 AromaticContact CE2-CD2 3.8Å; F96-F104 HydrophobicContact CE2-CD2 3.8Å; F96-F104 HydrophobicContact CE2-CG 4.47Å; F96-F104 HydrophobicContact CG-CB 4.46Å; F96-F104 AromaticContact CZ-CD2 3.91Å; F96-F104 HydrophobicContact CZ-CD2 3.91Å; S100-F104 PolarHBondContact O-N 3.48Å; P101-F104 WeakPolarHBondContact O-CB 3.33Å; P101-F104 PolarHBondContact O-N 3.43Å; N102-F104 PolarHBondContact O-N 2.85Å; F104-N106 VanDerWaalsContact C-N 3.28Å; F104-N106 PolarHBondContact O-N 3.26Å; F104-V107 WeakPolarHBondContact O-CB 3.47Å; F104-V107 WeakPolarHBondContact O-CG2 3.4Å; F104-V107 PolarHBondContact O-N 2.89Å; F104-V107 VanDerWaalsContact O-N 3.1Å; F104-V151 HydrophobicContact CB-CG2 3.66Å; F104-V151 HydrophobicContact CD1-CG2 4.39Å; F104-V151 HydrophobicContact CD2-CB 4.43Å; F104-V151 HydrophobicContact CD2-CG1 3.58Å; F104-V151 HydrophobicContact CD2-CG2 4.01Å; F104-V151 HydrophobicContact CE2-CG1 3.72Å; F104-V151 HydrophobicContact CG-CG1 4.15Å; F104-V151 HydrophobicContact CG-CG2 3.77Å; F104-V151 HydrophobicContact CZ-CG1 4.42Å; F104-R155 HydrophobicContact CZ-CB 4.26Å; F104-M159 HydrophobicContact CD2-CE 3.97Å; F104-M159 HydrophobicContact CE2-CB 3.52Å; F104-M159 HydrophobicContact CE2-CE 3.93Å; F104-M159 HydrophobicContact CE2-CG 3.91Å; F104-M159 HydrophobicContact CZ-CB 3.6Å; F104-M159 HydrophobicContact CZ-CG 4.07Å
105D98.4Very high98.2Very high74 Ų7434.6 Ų34.640%0.39618%0.178SC..Hα-helixtrans-63.6-37.3177.3-65.1-26.2000111.2P101 N102 V107 F108 N109P101-D105 PolarHBondContact O-N 2.94Å; N102-D105 PolarHBondContact O-N 3Å; D105-V107 PolarHBondContact O-N 2.81Å; D105-F108 PolarHBondContact O-N 3.34Å; D105-N109 PolarHBondContact O-N 2.96Å; D105-N109 PolarHBondContact O-ND2 2.97Å
106N98.7Very high98.1Very high31 Ų3138.3 Ų38.317%0.16620%0.198CC..Hα-helixtrans-63.2-20.4175.4-79.5-15.1000113.8D25 N102 F104 F108 R110 W111D25-N106 WeakPolarHBondContact OD1-CB 3.26Å; D25-N106 PolarHBondContact OD1-ND2 2.75Å; D25-N106 VanDerWaalsContact OD1-ND2 3.16Å; D25-N106 PolarHBondContact OD2-ND2 3.23Å; N102-N106 PolarHBondContact ND2-ND2 3.29Å; N102-N106 WeakPolarHBondContact O-CB 3.32Å; N102-N106 PolarHBondContact O-N 2.9Å; F104-N106 VanDerWaalsContact C-N 3.28Å; F104-N106 PolarHBondContact O-N 3.26Å; N106-F108 VanDerWaalsContact C-N 3.28Å; N106-F108 PolarHBondContact O-N 2.98Å; N106-R110 WeakPolarHBondContact O-CA 3.34Å; N106-R110 WeakPolarHBondContact O-CB 3.34Å; N106-R110 PolarHBondContact O-N 3.49Å; N106-W111 PolarHBondContact O-N 3.41Å
107V98.5Very high98Very high0 Ų044.3 Ų44.30%023%0.226CC..Iπ-helixtrans-59.1-45171.4-176.10000110.1L94 F96 S103 F104 D105 Y112 M159L94-V107 HydrophobicContact CB-CG1 4.46Å; L94-V107 HydrophobicContact CD2-CG1 4.03Å; F96-V107 HydrophobicContact CB-CG2 3.82Å; F96-V107 HydrophobicContact CD1-CG2 4.09Å; F96-V107 HydrophobicContact CG-CG2 4.22Å; S103-V107 WeakPolarHBondContact O-CG2 3.41Å; S103-V107 PolarHBondContact O-N 2.9Å; F104-V107 WeakPolarHBondContact O-CB 3.47Å; F104-V107 WeakPolarHBondContact O-CG2 3.4Å; F104-V107 PolarHBondContact O-N 2.89Å; F104-V107 VanDerWaalsContact O-N 3.1Å; D105-V107 PolarHBondContact O-N 2.81Å; V107-Y112 WeakPolarHBondContact O-CB 3.49Å; V107-Y112 PolarHBondContact O-N 3.28Å; V107-M159 HydrophobicContact CB-CE 3.85Å; V107-M159 HydrophobicContact CB-SD 3.85Å; V107-M159 HydrophobicContact CG1-CE 3.75Å; V107-M159 HydrophobicContact CG1-SD 3.39Å; V107-M159 WeakPolarHBondContact CG1-SD 3.25Å; V107-M159 HydrophobicContact CG2-CE 3.82Å; V107-M159 HydrophobicContact CG2-SD 4.48Å
108F96.5Very high98Very high114 Ų11448.4 Ų48.450%0.524%0.243SC..Iπ-helixtrans-80.8-41.3179-170.6-93.7000112.3D105 N106 P113 V163D105-F108 PolarHBondContact O-N 3.34Å; N106-F108 VanDerWaalsContact C-N 3.28Å; N106-F108 PolarHBondContact O-N 2.98Å; F108-P113 WeakPolarHBondContact O-CD 3.22Å; F108-P113 VanDerWaalsContact O-CG 3.29Å; F108-P113 WeakPolarHBondContact O-CG 3.42Å; F108-V163 HydrophobicContact CD2-CG1 4Å
109N97.4Very high97.8Very high110 Ų11048.8 Ų48.859%0.58825%0.246SC*.Iπ-helixtrans-79.7-21.6-171.4-64.3-26.6000113.8D105D105-N109 PolarHBondContact O-N 2.96Å; D105-N109 PolarHBondContact O-ND2 2.97Å
110R97.5Very high97.5Very high49 Ų4955.5 Ų55.519%0.18527%0.274CS..Iπ-helixtrans-134.7-62.6-172.9-179.6-175.1-179.21624.3113.1D76 D79 N106 Y112 P113 E114D76-R110 IonicContact OD1-CZ 3.24Å; D76-R110 IonicContact OD1-NH1 2.65Å; D76-R110 PolarHBondContact OD1-NH1 3.44Å; D76-R110 IonicContact OD1-NH2 3.73Å; D76-R110 PolarHBondContact OD1-NH2 3.2Å; D79-R110 IonicContact OD1-CZ 3.82Å; D79-R110 IonicContact OD1-NH2 2.97Å; D79-R110 PolarHBondContact OD1-NH2 3.1Å; D79-R110 IonicContact OD2-NH2 2.99Å; D79-R110 PolarHBondContact OD2-NH2 3.44Å; N106-R110 WeakPolarHBondContact O-CA 3.34Å; N106-R110 WeakPolarHBondContact O-CB 3.34Å; N106-R110 PolarHBondContact O-N 3.49Å; R110-Y112 PolarHBondContact O-N 3.07Å; R110-P113 WeakPolarHBondContact O-CD 3.26Å; R110-E114 WeakPolarHBondContact O-CB 3.31Å; R110-E114 PolarHBondContact O-N 2.84Å
111W98.6Very high97.1Very high1 Ų161.7 Ų61.70%0.00430%0.296CS..Iπ-helixtrans-68.3-43.7-166.4-60.6113.6000112.3V23 G24 D25 R82 L94 N106 E114 V115V23-W111 HydrophobicContact CB-CE3 4.1Å; G24-W111 VanDerWaalsContact CA-CE2 3.41Å; G24-W111 VanDerWaalsContact O-CZ2 3.27Å; G24-W111 WeakPolarHBondContact O-CZ2 3.4Å; D25-W111 PolarHBondContact OD1-NE1 2.92Å; R82-W111 VanDerWaalsContact CZ-CZ3 3.44Å; L94-W111 HydrophobicContact CD2-CB 4.27Å; L94-W111 HydrophobicContact CG-CB 4.34Å; N106-W111 PolarHBondContact O-N 3.41Å; W111-E114 PolarHBondContact O-N 2.96Å; W111-V115 WeakPolarHBondContact O-CG2 3.41Å; W111-V115 PolarHBondContact O-N 3.24Å
112Y98.4Very high97.1Very high58 Ų5862.4 Ų62.423%0.22730%0.3CS..Hα-helixtrans-62.6-52174.8170.9-107000112.6V107 R110 E114 V115 N116 I124 V163V107-Y112 WeakPolarHBondContact O-CB 3.49Å; V107-Y112 PolarHBondContact O-N 3.28Å; R110-Y112 PolarHBondContact O-N 3.07Å; Y112-E114 VanDerWaalsContact C-N 3.28Å; Y112-E114 PolarHBondContact O-N 2.84Å; Y112-V115 PolarHBondContact O-N 3.17Å; Y112-N116 HydrophobicContact CD2-CB 4.38Å; Y112-N116 HydrophobicContact CE2-CB 4.04Å; Y112-N116 WeakPolarHBondContact O-CB 3.25Å; Y112-N116 PolarHBondContact O-N 2.84Å; Y112-I124 HydrophobicContact CD2-CD1 4.03Å; Y112-I124 HydrophobicContact CE2-CD1 4.23Å; Y112-V163 HydrophobicContact CD1-CB 4.4Å; Y112-V163 HydrophobicContact CD1-CG1 4.25Å; Y112-V163 HydrophobicContact CD2-CB 3.67Å; Y112-V163 HydrophobicContact CD2-CG1 4.26Å; Y112-V163 HydrophobicContact CE2-CB 4.11Å; Y112-V163 WeakPolarHBondContact CE2-O 3.48Å; Y112-V163 HydrophobicContact CG-CB 3.82Å; Y112-V163 HydrophobicContact CG-CG1 3.87Å
113P98.2Very high97Very high61 Ų6159.5 Ų59.540%0.39629%0.287SS..Hα-helixtrans-52-44.7174.7-29.633.5000113.5F108 R110 H117F108-P113 WeakPolarHBondContact O-CD 3.22Å; F108-P113 VanDerWaalsContact O-CG 3.29Å; F108-P113 WeakPolarHBondContact O-CG 3.42Å; R110-P113 WeakPolarHBondContact O-CD 3.26Å; P113-H117 WeakPolarHBondContact O-CB 3.46Å; P113-H117 PolarHBondContact O-N 2.92Å
114E98.3Very high97Very high27 Ų2760.1 Ų60.113%0.12629%0.29CS..Hα-helixtrans-62.4-55.1179.4-175.9174.2141.500111.6R82 Y86 R110 W111 Y112 N116 H117 F118R82-E114 WeakPolarHBondContact CD-OE1 3.34Å; R82-E114 IonicContact CZ-OE1 2.65Å; R82-E114 IonicContact NE-OE1 3.77Å; R82-E114 VanDerWaalsContact NH1-CD 3.27Å; R82-E114 IonicContact NH1-OE1 3.11Å; R82-E114 PolarHBondContact NH1-OE1 2.79Å; R82-E114 IonicContact NH1-OE2 2.98Å; R82-E114 PolarHBondContact NH1-OE2 3.02Å; Y86-E114 HydrophobicContact CE2-CG 4.28Å; Y86-E114 PolarHBondContact OH-OE1 3.15Å; R110-E114 WeakPolarHBondContact O-CB 3.31Å; R110-E114 PolarHBondContact O-N 2.84Å; W111-E114 PolarHBondContact O-N 2.96Å; Y112-E114 VanDerWaalsContact C-N 3.28Å; Y112-E114 PolarHBondContact O-N 2.84Å; E114-N116 VanDerWaalsContact C-N 3.31Å; E114-N116 PolarHBondContact O-N 2.92Å; E114-H117 WeakPolarHBondContact O-CB 3.2Å; E114-H117 PolarHBondContact O-N 2.76Å; E114-H117 VanDerWaalsContact O-N 3.14Å; E114-F118 HydrophobicContact CG-CD2 4.06Å; E114-F118 HydrophobicContact CG-CE2 4.14Å; E114-F118 VanDerWaalsContact O-CD2 3.26Å; E114-F118 WeakPolarHBondContact O-CD2 3.5Å; E114-F118 PolarHBondContact O-N 2.85Å; E114-F118 VanDerWaalsContact O-N 3.13Å
115V97.7Very high97Very high1 Ų159.2 Ų59.21%0.00629%0.286CS..Hα-helixtrans-69.9-30-178.4-58.50000112.8V23 L92 L94 W111 Y112 H117 C119 I124V23-V115 HydrophobicContact CG1-CG1 4.42Å; V23-V115 HydrophobicContact CG2-CG1 3.87Å; L92-V115 HydrophobicContact CD1-CB 3.57Å; L92-V115 HydrophobicContact CD1-CG1 3.96Å; L92-V115 HydrophobicContact CD1-CG2 3.93Å; L94-V115 HydrophobicContact CD1-CG1 4.17Å; L94-V115 HydrophobicContact CD1-CG2 3.94Å; L94-V115 HydrophobicContact CD2-CG2 4.21Å; W111-V115 WeakPolarHBondContact O-CG2 3.41Å; W111-V115 PolarHBondContact O-N 3.24Å; Y112-V115 PolarHBondContact O-N 3.17Å; V115-H117 PolarHBondContact O-N 3.38Å; V115-C119 CarbonylContact O-C 3.57Å; V115-C119 VanDerWaalsContact O-CA 3.3Å; V115-C119 WeakPolarHBondContact O-CA 3.05Å; V115-C119 WeakPolarHBondContact O-CB 3.29Å; V115-C119 PolarHBondContact O-N 2.7Å; V115-I124 HydrophobicContact CG2-CD1 3.75Å; V115-I124 HydrophobicContact CG2-CG1 4.37Å
116N96.5Very high97Very high80 Ų8055.7 Ų55.743%0.42827%0.267SS..Hα-helixtrans-68.9-28.7175.1-172.449.7000111.5Y112 E114 K120Y112-N116 HydrophobicContact CD2-CB 4.38Å; Y112-N116 HydrophobicContact CE2-CB 4.04Å; Y112-N116 WeakPolarHBondContact O-CB 3.25Å; Y112-N116 PolarHBondContact O-N 2.84Å; E114-N116 VanDerWaalsContact C-N 3.31Å; E114-N116 PolarHBondContact O-N 2.92Å; N116-K120 WeakPolarHBondContact O-CG 3.42Å
117H97.2Very high97Very high126 Ų12654.2 Ų54.258%0.58326%0.259SS*.Hα-helixtrans-69.9-52.2173.3-176.982.2000111.8P113 E114 V115P113-H117 WeakPolarHBondContact O-CB 3.46Å; P113-H117 PolarHBondContact O-N 2.92Å; E114-H117 WeakPolarHBondContact O-CB 3.2Å; E114-H117 PolarHBondContact O-N 2.76Å; E114-H117 VanDerWaalsContact O-N 3.14Å; V115-H117 PolarHBondContact O-N 3.38Å
118F97.6Very high97.1Very high101 Ų10154.2 Ų54.244%0.44326%0.259SS..Hα-helixtrans-89.6-31.4-171.8-66.8-72.2000114.9P83 Y86 E114P83-F118 HydrophobicContact CB-CD1 3.97Å; P83-F118 HydrophobicContact CB-CD2 4.08Å; P83-F118 HydrophobicContact CB-CE1 3.77Å; P83-F118 HydrophobicContact CB-CE2 3.89Å; P83-F118 HydrophobicContact CB-CG 4.13Å; P83-F118 HydrophobicContact CB-CZ 3.74Å; P83-F118 HydrophobicContact CG-CD2 4.11Å; P83-F118 HydrophobicContact CG-CE1 4.22Å; P83-F118 HydrophobicContact CG-CE2 3.58Å; P83-F118 HydrophobicContact CG-CZ 3.64Å; Y86-F118 HydrophobicContact CD2-CB 3.44Å; Y86-F118 VanDerWaalsContact CD2-CB 3.44Å; Y86-F118 HydrophobicContact CD2-CD2 4.01Å; Y86-F118 AromaticContact CD2-CG 3.87Å; Y86-F118 HydrophobicContact CD2-CG 3.87Å; Y86-F118 HydrophobicContact CE2-CB 4.08Å; Y86-F118 AromaticContact CE2-CD2 3.88Å; Y86-F118 HydrophobicContact CE2-CD2 3.88Å; Y86-F118 HydrophobicContact CE2-CG 4.23Å; Y86-F118 HydrophobicContact CG-CB 4.38Å; E114-F118 HydrophobicContact CG-CD2 4.06Å; E114-F118 HydrophobicContact CG-CE2 4.14Å; E114-F118 VanDerWaalsContact O-CD2 3.26Å; E114-F118 WeakPolarHBondContact O-CD2 3.5Å; E114-F118 PolarHBondContact O-N 2.85Å; E114-F118 VanDerWaalsContact O-N 3.13Å
119C95.6Very high97.2Very high9 Ų949 Ų496%0.06124%0.236CC..SBendtrans-114.647.5-170.3-54.30000111.9Y86 L92 V115 K121 V122Y86-C119 WeakPolarHBondContact CB-SG 3.39Å; L92-C119 HydrophobicContact CD1-CB 3.65Å; V115-C119 CarbonylContact O-C 3.57Å; V115-C119 VanDerWaalsContact O-CA 3.3Å; V115-C119 WeakPolarHBondContact O-CA 3.05Å; V115-C119 WeakPolarHBondContact O-CB 3.29Å; V115-C119 PolarHBondContact O-N 2.7Å; C119-K121 PolarHBondContact O-N 2.64Å; C119-V122 HydrophobicContact CB-CB 3.98Å; C119-V122 HydrophobicContact CB-CG2 3.86Å; C119-V122 WeakPolarHBondContact O-CB 3.47Å; C119-V122 WeakPolarHBondContact O-CG2 3.34Å; C119-V122 PolarHBondContact O-N 2.85Å
120K91.8Very high97.2Very high153 Ų15346.5 Ų46.567%0.66522%0.22SC*.THydrogen-bonded Turntrans-52.9131.2-178.1-66.4-177.6-176.9178.60111.1N116 V122N116-K120 WeakPolarHBondContact O-CG 3.42Å; K120-V122 PolarHBondContact O-N 2.85Å
121K90.1Very high97.3Very high165 Ų16545.1 Ų45.172%0.71722%0.217SC*.THydrogen-bonded Turntrans66.210.2178.7-45.4172.3178.5174.80115.1C119 R194C119-K121 PolarHBondContact O-N 2.64Å; K121-R194 VanDerWaalsContact CB-NH2 3.28Å; K121-R194 PolarHBondContact O-NH2 3.25Å
122V96.4Very high97.3Very high31 Ų3146.7 Ų46.719%0.18823%0.226CC..  trans-81.9129.3167.9-176.90000107.7A89 L92 C119 K120A89-V122 HydrophobicContact CB-CG1 4.23Å; A89-V122 WeakPolarHBondContact O-CG1 3.28Å; A89-V122 WeakPolarHBondContact O-CG2 3.5Å; L92-V122 HydrophobicContact CD1-CB 4.41Å; L92-V122 HydrophobicContact CD1-CG1 4.28Å; L92-V122 HydrophobicContact CG-CB 4.48Å; L92-V122 HydrophobicContact CG-CG1 3.83Å; C119-V122 HydrophobicContact CB-CB 3.98Å; C119-V122 HydrophobicContact CB-CG2 3.86Å; C119-V122 WeakPolarHBondContact O-CB 3.47Å; C119-V122 WeakPolarHBondContact O-CG2 3.34Å; C119-V122 PolarHBondContact O-N 2.85Å; K120-V122 PolarHBondContact O-N 2.85Å
123P97.3Very high97.2Very high38 Ų3846 Ų4625%0.24723%0.226CC..  trans-66.4141.8-179.827.2-34.3000111.5S90 V91 L92 V166 V189S90-P123 WeakPolarHBondContact O-CD 3.45Å; S90-P123 WeakPolarHBondContact O-CG 3.39Å; V91-P123 HydrophobicContact CB-CG 4.29Å; V91-P123 HydrophobicContact CG2-CG 4.31Å; L92-P123 PolarHBondContact N-O 2.89Å; P123-V166 HydrophobicContact CB-CG1 4.18Å; P123-V166 HydrophobicContact CB-CG2 4.32Å; P123-V189 HydrophobicContact CB-CG1 3.47Å; P123-V189 VanDerWaalsContact CB-CG1 3.47Å; P123-V189 HydrophobicContact CG-CG1 3.44Å; P123-V189 VanDerWaalsContact CG-CG1 3.44Å
124I98Very high97.2Very high15 Ų1546.1 Ų46.18%0.07722%0.218CC..EExtended strand (participates in β ladder)trans-109.4133.8179.4-66.3166.7000109.2L92 L94 Y112 V115 V126 A165 V166L92-I124 HydrophobicContact CB-CG1 4.31Å; L92-I124 HydrophobicContact CD1-CG1 4.08Å; L94-I124 HydrophobicContact CB-CG2 4.28Å; L94-I124 HydrophobicContact CD1-CG1 4.44Å; L94-I124 HydrophobicContact CD1-CG2 3.85Å; L94-I124 HydrophobicContact CD2-CG2 4.04Å; L94-I124 HydrophobicContact CG-CG2 4.26Å; Y112-I124 HydrophobicContact CD2-CD1 4.03Å; Y112-I124 HydrophobicContact CE2-CD1 4.23Å; V115-I124 HydrophobicContact CG2-CD1 3.75Å; V115-I124 HydrophobicContact CG2-CG1 4.37Å; I124-V126 HydrophobicContact CG2-CG2 4.36Å; I124-A165 HydrophobicContact CB-CB 4.41Å; I124-A165 HydrophobicContact CG2-CB 4.01Å; I124-A165 CarbonylContact O-C 3.59Å; I124-A165 VanDerWaalsContact O-CA 3.27Å; I124-A165 WeakPolarHBondContact O-CA 3.35Å; I124-A165 WeakPolarHBondContact O-CB 3.5Å; I124-V166 WeakPolarHBondContact O-CG2 3.45Å; I124-V166 PolarHBondContact O-N 3Å
125I98.6Very high97.1Very high0 Ų053.2 Ų53.20%025%0.249CC..EExtended strand (participates in β ladder)trans-113.3129.8164.4-59.9176.6000107.1V91 L92 L93 L94 V127 V166 A167 L169 E185 A186 V189V91-I125 HydrophobicContact CG2-CD1 4.04Å; V91-I125 HydrophobicContact CG2-CG1 4.17Å; L92-I125 PolarHBondContact O-N 2.89Å; L93-I125 CarbonylContact C-O 3.58Å; L93-I125 WeakPolarHBondContact CA-O 3.1Å; L93-I125 HydrophobicContact CD2-CB 3.73Å; L93-I125 HydrophobicContact CD2-CD1 4.1Å; L93-I125 HydrophobicContact CD2-CG1 4.37Å; L93-I125 HydrophobicContact CD2-CG2 4.14Å; L94-I125 PolarHBondContact N-O 2.86Å; I125-V127 HydrophobicContact CG2-CG2 4.11Å; I125-V166 HydrophobicContact CG1-CG2 4.06Å; I125-A167 HydrophobicContact CG1-CB 4.27Å; I125-A167 HydrophobicContact CG2-CB 4.11Å; I125-L169 HydrophobicContact CG2-CD1 3.39Å; I125-E185 HydrophobicContact CD1-CB 4.45Å; I125-E185 HydrophobicContact CD1-CG 4.24Å; I125-A186 HydrophobicContact CD1-CB 4.25Å; I125-V189 HydrophobicContact CD1-CB 4.37Å; I125-V189 HydrophobicContact CD1-CG2 3.95Å; I125-V189 HydrophobicContact CG1-CG2 4.42Å
126V98.8Very high97Very high0 Ų056.3 Ų56.30%027%0.266CS..EExtended strand (participates in β ladder)trans-90.9135.1172170.80000109.2L94 F96 I124 M159 A160 V163 A165 A167 Y168 L169L94-V126 HydrophobicContact CB-CG2 4.25Å; L94-V126 CarbonylContact O-C 3.49Å; L94-V126 WeakPolarHBondContact O-CA 3.36Å; F96-V126 HydrophobicContact CD1-CG1 4.08Å; F96-V126 HydrophobicContact CE1-CG1 3.77Å; I124-V126 HydrophobicContact CG2-CG2 4.36Å; V126-M159 HydrophobicContact CG1-CE 3.4Å; V126-M159 VanDerWaalsContact CG1-CE 3.4Å; V126-M159 HydrophobicContact CG1-SD 4.18Å; V126-M159 HydrophobicContact CG2-CE 4.42Å; V126-M159 HydrophobicContact CG2-SD 4.17Å; V126-A160 HydrophobicContact CB-CB 3.82Å; V126-A160 HydrophobicContact CG1-CB 4.3Å; V126-A160 HydrophobicContact CG2-CB 3.96Å; V126-V163 HydrophobicContact CG2-CG2 3.92Å; V126-A165 HydrophobicContact CG2-CB 3.86Å; V126-A167 PolarHBondContact N-O 2.96Å; V126-Y168 HydrophobicContact CB-CD2 4.05Å; V126-Y168 HydrophobicContact CG1-CD2 3.68Å; V126-Y168 HydrophobicContact CG1-CE2 3.93Å; V126-Y168 WeakPolarHBondContact O-CA 3.24Å; V126-Y168 WeakPolarHBondContact O-CD2 3.47Å; V126-L169 PolarHBondContact O-N 2.68Å
127V98.9Very high97Very high0 Ų060.7 Ų60.70%028%0.281CS..EExtended strand (participates in β ladder)trans-125117-177.7-171.70000110.6L33 L93 L94 C95 F96 I125 L169 V182L33-V127 HydrophobicContact CD2-CG1 4.26Å; L93-V127 HydrophobicContact CB-CG2 4.33Å; L93-V127 HydrophobicContact CD2-CG2 4.28Å; L94-V127 PolarHBondContact O-N 2.98Å; C95-V127 WeakPolarHBondContact CA-O 3.4Å; F96-V127 WeakPolarHBondContact CD1-O 3.45Å; F96-V127 PolarHBondContact N-O 3.2Å; I125-V127 HydrophobicContact CG2-CG2 4.11Å; V127-L169 CarbonylContact C-O 3.58Å; V127-L169 VanDerWaalsContact CA-O 3.29Å; V127-L169 WeakPolarHBondContact CA-O 3.37Å; V127-V182 HydrophobicContact CG1-CG1 4.39Å; V127-V182 HydrophobicContact CG1-CG2 4.12Å; V127-V182 HydrophobicContact CG2-CG1 3.94Å
128G98.9Very high97.1Very high0 Ų058.9 Ų58.90%028%0.282CS..EExtended strand (participates in β ladder)trans-85.7107.3169.400000111.2L169 E170 C171G128-L169 PolarHBondContact N-O 2.73Å; G128-E170 CarbonylContact O-C 3.49Å; G128-E170 WeakPolarHBondContact O-CA 3.37Å; G128-C171 PolarHBondContact O-N 3.26Å
129C98.9Very high97Very high3 Ų356.1 Ų56.12%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-89.5161-178.6-64.30000112.3C28 F96 V98 C171C28-C129 WeakPolarHBondContact O-CB 3.34Å; F96-C129 WeakPolarHBondContact O-CB 3.48Å; F96-C129 PolarHBondContact O-N 3.49Å; V98-C129 WeakPolarHBondContact CG1-O 3.3Å; V98-C129 WeakPolarHBondContact CG2-O 3.47Å; V98-C129 PolarHBondContact N-O 2.76Å; C129-C171 CarbonylContact C-O 3.04Å
130K98.5Very high97Very high58 Ų5856.3 Ų56.325%0.25227%0.273SS..  trans64.839.6173-44-168.7-162165.30114.3G27 C28 D97 D132 L133 C171G27-K130 WeakPolarHBondContact O-CE 3.49Å; G27-K130 PolarHBondContact O-NZ 2.86Å; C28-K130 WeakPolarHBondContact O-CE 3.27Å; D97-K130 WeakPolarHBondContact OD2-CD 3.28Å; D97-K130 VanDerWaalsContact OD2-CE 3.26Å; D97-K130 WeakPolarHBondContact OD2-CE 3.44Å; D97-K130 IonicContact OD2-NZ 3.93Å; D97-K130 PolarHBondContact OD2-NZ 3.34Å; K130-D132 WeakPolarHBondContact CA-OD1 3.38Å; K130-D132 PolarHBondContact O-N 3.47Å; K130-D132 VanDerWaalsContact O-N 3.17Å; K130-L133 HydrophobicContact CB-CD1 3.93Å; K130-L133 HydrophobicContact CB-CG 4.18Å; K130-L133 HydrophobicContact CD-CD1 3.83Å; K130-L133 WeakPolarHBondContact O-CB 3.45Å; K130-L133 PolarHBondContact O-N 3.31Å; K130-C171 PolarHBondContact N-O 3.12Å
131T98.7Very high97.3Very high20 Ų2053 Ų5312%0.12326%0.262CS..G310 helixtrans-62-22.5-179.854.70000114.7V98 L133 R134 E170 C171V98-T131 HydrophobicContact CG1-CG2 4.26Å; V98-T131 HydrophobicContact CG2-CG2 4.34Å; T131-L133 PolarHBondContact O-N 3.49Å; T131-R134 WeakPolarHBondContact O-CB 3.32Å; T131-R134 PolarHBondContact O-N 2.92Å; T131-E170 HydrophobicContact CG2-CB 3.66Å; T131-E170 HydrophobicContact CG2-CG 4.14Å; T131-C171 PolarHBondContact N-O 3Å; T131-C171 PolarHBondContact OG1-O 3.22Å
132D98.3Very high97.6Very high34 Ų3451.4 Ų51.418%0.18226%0.255CS..G310 helixtrans-57.1-36171.655.2-72.1000112.5K130 R134 K135 S172 L175K130-D132 WeakPolarHBondContact CA-OD1 3.38Å; K130-D132 PolarHBondContact O-N 3.47Å; K130-D132 VanDerWaalsContact O-N 3.17Å; D132-R134 PolarHBondContact O-N 2.81Å; D132-K135 PolarHBondContact O-N 3.15Å; D132-K135 VanDerWaalsContact O-N 3.13Å; D132-S172 WeakPolarHBondContact CB-OG 3.45Å; D132-S172 VanDerWaalsContact OD1-CB 3.29Å; D132-S172 WeakPolarHBondContact OD1-CB 3.28Å; D132-S172 PolarHBondContact OD1-OG 3.39Å; D132-L175 HydrophobicContact CB-CD1 3.53Å; D132-L175 HydrophobicContact CB-CG 3.77Å
133L98Very high97.6Very high44 Ų4451 Ų5123%0.2325%0.252CS..G310 helixtrans-72.6-13.2-177.7-61.4-175.7000113.7T99 K130 T131 K135 D136 L139T99-L133 HydrophobicContact CG2-CB 3.48Å; T99-L133 VanDerWaalsContact CG2-CB 3.48Å; K130-L133 HydrophobicContact CB-CD1 3.93Å; K130-L133 HydrophobicContact CB-CG 4.18Å; K130-L133 HydrophobicContact CD-CD1 3.83Å; K130-L133 WeakPolarHBondContact O-CB 3.45Å; K130-L133 PolarHBondContact O-N 3.31Å; T131-L133 PolarHBondContact O-N 3.49Å; L133-K135 PolarHBondContact O-N 2.65Å; L133-D136 WeakPolarHBondContact O-CB 3.41Å; L133-D136 PolarHBondContact O-N 3.33Å; L133-L139 HydrophobicContact CB-CD1 4.25Å; L133-L139 HydrophobicContact CD1-CD1 4.13Å
134R97.2Very high97.6Very high63 Ų6355.8 Ų55.824%0.23827%0.265CS..G310 helixtrans-64.8-22.5169.9-68.4-175179.8142-1.9112.7V98 T131 D132 P150 V151 E170V98-R134 VanDerWaalsContact CG1-NH2 3.27Å; V98-R134 HydrophobicContact CG2-CG 3.75Å; T131-R134 WeakPolarHBondContact O-CB 3.32Å; T131-R134 PolarHBondContact O-N 2.92Å; D132-R134 PolarHBondContact O-N 2.81Å; R134-P150 HydrophobicContact CG-CB 4.13Å; R134-V151 PolarHBondContact NE-O 2.92Å; R134-V151 PolarHBondContact NH2-O 3.43Å; R134-E170 IonicContact CZ-OE1 2.73Å; R134-E170 VanDerWaalsContact CZ-OE1 3.25Å; R134-E170 IonicContact CZ-OE2 3.32Å; R134-E170 IonicContact NH1-OE1 2.73Å; R134-E170 PolarHBondContact NH1-OE1 2.92Å; R134-E170 IonicContact NH1-OE2 2.72Å; R134-E170 PolarHBondContact NH1-OE2 3.32Å; R134-E170 IonicContact NH2-OE1 3.95Å; R134-E170 PolarHBondContact NH2-OE1 3.23Å; R134-E170 IonicContact NH2-OE2 3.73Å
135K95.1Very high97.5Very high177 Ų17764.4 Ų64.477%0.7730%0.297SS*.G310 helixtrans-90.6-8.6177.9-60.8177.8-177.5174.30112.4D132 L133 K137D132-K135 PolarHBondContact O-N 3.15Å; D132-K135 VanDerWaalsContact O-N 3.13Å; L133-K135 PolarHBondContact O-N 2.65Å; K135-K137 PolarHBondContact O-N 3.32Å; K135-K137 VanDerWaalsContact O-N 3.15Å
136D97.2Very high97.4Very high66 Ų6669.8 Ų69.835%0.35333%0.326SS..  trans-74.9102.4176.1-176.6-22.8000110.4L133 S138 L139 V140L133-D136 WeakPolarHBondContact O-CB 3.41Å; L133-D136 PolarHBondContact O-N 3.33Å; D136-S138 VanDerWaalsContact C-N 3.26Å; D136-S138 PolarHBondContact O-N 2.72Å; D136-S138 WeakPolarHBondContact OD1-CA 2.9Å; D136-S138 VanDerWaalsContact OD1-CB 3.29Å; D136-S138 WeakPolarHBondContact OD1-CB 3.35Å; D136-S138 PolarHBondContact OD1-N 2.73Å; D136-L139 HydrophobicContact CB-CB 3.94Å; D136-L139 PolarHBondContact O-N 2.73Å; D136-L139 PolarHBondContact OD1-N 2.85Å; D136-L139 VanDerWaalsContact OD1-N 3.07Å; D136-V140 WeakPolarHBondContact O-CB 3.34Å; D136-V140 VanDerWaalsContact O-CG2 3.24Å; D136-V140 WeakPolarHBondContact O-CG2 3.4Å; D136-V140 PolarHBondContact O-N 2.97Å
137K96.9Very high97.3Very high172 Ų17273.2 Ų73.275%0.74836%0.36SS*.Hα-helixtrans-59.7-35.6-179.9-63-175-179.7178.60112.8K135 N141K135-K137 PolarHBondContact O-N 3.32Å; K135-K137 VanDerWaalsContact O-N 3.15Å; K137-N141 WeakPolarHBondContact O-CB 3.45Å; K137-N141 PolarHBondContact O-N 3.46Å; K137-N141 PolarHBondContact O-ND2 2.88Å; K137-N141 VanDerWaalsContact O-ND2 3.11Å
138S97.4Very high97.2Very high87 Ų8776.8 Ų76.861%0.60838%0.379SS*.Hα-helixtrans-67-47.8-179-175.70000110.5D136 N141 K142D136-S138 VanDerWaalsContact C-N 3.26Å; D136-S138 PolarHBondContact O-N 2.72Å; D136-S138 WeakPolarHBondContact OD1-CA 2.9Å; D136-S138 VanDerWaalsContact OD1-CB 3.29Å; D136-S138 WeakPolarHBondContact OD1-CB 3.35Å; D136-S138 PolarHBondContact OD1-N 2.73Å; S138-N141 PolarHBondContact O-N 3.28Å; S138-K142 PolarHBondContact O-N 3.16Å
139L95.5Very high97.1Very high43 Ų4381.9 Ų81.923%0.22540%0.403CS..Hα-helixtrans-63.1-49.2177.7-168157.3000111T99 L133 D136 N141 K142 L143T99-L139 HydrophobicContact CG2-CD2 3.96Å; L133-L139 HydrophobicContact CB-CD1 4.25Å; L133-L139 HydrophobicContact CD1-CD1 4.13Å; D136-L139 HydrophobicContact CB-CB 3.94Å; D136-L139 PolarHBondContact O-N 2.73Å; D136-L139 PolarHBondContact OD1-N 2.85Å; D136-L139 VanDerWaalsContact OD1-N 3.07Å; L139-N141 VanDerWaalsContact C-N 3.32Å; L139-N141 PolarHBondContact O-N 3.17Å; L139-K142 WeakPolarHBondContact O-CB 3.37Å; L139-K142 PolarHBondContact O-N 3.28Å; L139-K142 VanDerWaalsContact O-N 3.08Å; L139-L143 HydrophobicContact CD2-CD1 3.61Å; L139-L143 HydrophobicContact CD2-CG 4.12Å; L139-L143 PolarHBondContact O-N 3.01Å
140V96.4Very high97.1Very high14 Ų1482.7 Ų82.79%0.08541%0.408CS..Hα-helixtrans-60.1-42.8179.4172.90000111.3D136 K142 L143 R144 P150D136-V140 WeakPolarHBondContact O-CB 3.34Å; D136-V140 VanDerWaalsContact O-CG2 3.24Å; D136-V140 WeakPolarHBondContact O-CG2 3.4Å; D136-V140 PolarHBondContact O-N 2.97Å; V140-K142 VanDerWaalsContact C-N 3.31Å; V140-K142 PolarHBondContact O-N 3.2Å; V140-L143 PolarHBondContact O-N 3.17Å; V140-R144 WeakPolarHBondContact O-CG 3.47Å; V140-R144 PolarHBondContact O-N 3.11Å; V140-P150 HydrophobicContact CG2-CG 3.84Å
141N97.4Very high97.1Very high83 Ų8379.9 Ų79.944%0.44440%0.396SS..Hα-helixtrans-66-33.9176.4-71.2-18.4000112.3K137 S138 L139 R145K137-N141 WeakPolarHBondContact O-CB 3.45Å; K137-N141 PolarHBondContact O-N 3.46Å; K137-N141 PolarHBondContact O-ND2 2.88Å; K137-N141 VanDerWaalsContact O-ND2 3.11Å; S138-N141 PolarHBondContact O-N 3.28Å; L139-N141 VanDerWaalsContact C-N 3.32Å; L139-N141 PolarHBondContact O-N 3.17Å; N141-R145 WeakPolarHBondContact O-CG 3.37Å; N141-R145 PolarHBondContact O-N 2.81Å; N141-R145 VanDerWaalsContact O-N 3.12Å
142K97.1Very high97.1Very high132 Ų13282.3 Ų82.357%0.57441%0.411SS*.Hα-helixtrans-64.2-44.8173.3-173.4-177.6177.4-1770111.6S138 L139 V140 R145S138-K142 PolarHBondContact O-N 3.16Å; L139-K142 WeakPolarHBondContact O-CB 3.37Å; L139-K142 PolarHBondContact O-N 3.28Å; L139-K142 VanDerWaalsContact O-N 3.08Å; V140-K142 VanDerWaalsContact C-N 3.31Å; V140-K142 PolarHBondContact O-N 3.2Å; K142-R145 PolarHBondContact O-N 2.88Å
143L96.3Very high97.1Very high23 Ų2385.1 Ų85.112%0.1242%0.42CS..Hα-helixtrans-60.2-47.9175.4-72.4171000111.4T99 L139 V140 R145 N146 G147 L148 P150T99-L143 WeakPolarHBondContact O-CD1 3.42Å; L139-L143 HydrophobicContact CD2-CD1 3.61Å; L139-L143 HydrophobicContact CD2-CG 4.12Å; L139-L143 PolarHBondContact O-N 3.01Å; V140-L143 PolarHBondContact O-N 3.17Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.35Å; L143-N146 CarbonylContact O-C 3.59Å; L143-N146 WeakPolarHBondContact O-CA 3.18Å; L143-N146 WeakPolarHBondContact O-CB 3.19Å; L143-N146 PolarHBondContact O-N 2.7Å; L143-G147 PolarHBondContact O-N 3.08Å; L143-L148 CarbonylContact C-O 3.6Å; L143-L148 HydrophobicContact CB-CB 4.26Å; L143-L148 HydrophobicContact CD2-CB 4.23Å; L143-L148 HydrophobicContact CD2-CD1 4.44Å; L143-L148 PolarHBondContact O-N 2.77Å; L143-L148 VanDerWaalsContact O-O 3.13Å; L143-P150 HydrophobicContact CD1-CG 3.93Å
144R96.6Very high97.1Very high138 Ų13888.3 Ų88.352%0.52143%0.433SS..Hα-helixtrans-60.8-37-178.9-76.1179.4172.6154.7-0.7113.5V140 N146 G147 L148 E149V140-R144 WeakPolarHBondContact O-CG 3.47Å; V140-R144 PolarHBondContact O-N 3.11Å; R144-N146 PolarHBondContact O-N 3.35Å; R144-G147 PolarHBondContact O-N 3.35Å; R144-L148 VanDerWaalsContact CA-O 3.25Å; R144-L148 WeakPolarHBondContact CA-O 3.32Å; R144-L148 PolarHBondContact N-O 2.82Å; R144-L148 VanDerWaalsContact N-O 3.12Å; R144-E149 HydrophobicContact CG-CG 4.41Å; R144-E149 IonicContact NE-OE1 2.73Å; R144-E149 PolarHBondContact NE-OE1 3.16Å; R144-E149 IonicContact NH2-OE1 3.35Å
145R97.2Very high97.1Very high195 Ų19590 Ų9074%0.73644%0.439SS*.Hα-helixtrans-60.3-25.6173.7-78.1-175.1-69.1-174.5-0.9113.2N141 K142 L143N141-R145 WeakPolarHBondContact O-CG 3.37Å; N141-R145 PolarHBondContact O-N 2.81Å; N141-R145 VanDerWaalsContact O-N 3.12Å; K142-R145 PolarHBondContact O-N 2.88Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.35Å
146N96.1Very high97.3Very high114 Ų11481.5 Ų81.561%0.6140%0.403SS*.THydrogen-bonded Turntrans-95.511.9176-62.4-16.8000112.6L143 R144 L148L143-N146 CarbonylContact O-C 3.59Å; L143-N146 WeakPolarHBondContact O-CA 3.18Å; L143-N146 WeakPolarHBondContact O-CB 3.19Å; L143-N146 PolarHBondContact O-N 2.7Å; R144-N146 PolarHBondContact O-N 3.35Å; N146-L148 VanDerWaalsContact C-N 3.26Å; N146-L148 HydrophobicContact CB-CD1 4.47Å; N146-L148 HydrophobicContact CB-CG 4.5Å; N146-L148 PolarHBondContact O-N 3.21Å
147G96.8Very high97.3Very high71 Ų7180 Ų8073%0.73239%0.393SS*.THydrogen-bonded Turntrans7119-17700000114.1L143 R144L143-G147 PolarHBondContact O-N 3.08Å; R144-G147 PolarHBondContact O-N 3.35Å
148L97.1Very high97.4Very high75 Ų7576 Ų7639%0.39338%0.378SS..  trans-113.4158-178.3-62176.4000111.2P101 L143 R144 N146P101-L148 HydrophobicContact CG-CB 4.28Å; P101-L148 HydrophobicContact CG-CD1 4.49Å; P101-L148 HydrophobicContact CG-CD2 4.42Å; L143-L148 CarbonylContact C-O 3.6Å; L143-L148 HydrophobicContact CB-CB 4.26Å; L143-L148 HydrophobicContact CD2-CB 4.23Å; L143-L148 HydrophobicContact CD2-CD1 4.44Å; L143-L148 PolarHBondContact O-N 2.77Å; L143-L148 VanDerWaalsContact O-O 3.13Å; R144-L148 VanDerWaalsContact CA-O 3.25Å; R144-L148 WeakPolarHBondContact CA-O 3.32Å; R144-L148 PolarHBondContact N-O 2.82Å; R144-L148 VanDerWaalsContact N-O 3.12Å; N146-L148 VanDerWaalsContact C-N 3.26Å; N146-L148 HydrophobicContact CB-CD1 4.47Å; N146-L148 HydrophobicContact CB-CG 4.5Å; N146-L148 PolarHBondContact O-N 3.21Å
149E97Very high97.4Very high107 Ų10772.6 Ų72.650%0.535%0.352SS..  trans-136.1153.1173.4-62.9-158.4126.800110.9P101 R144P101-E149 WeakPolarHBondContact CG-O 3.38Å; R144-E149 HydrophobicContact CG-CG 4.41Å; R144-E149 IonicContact NE-OE1 2.73Å; R144-E149 PolarHBondContact NE-OE1 3.16Å; R144-E149 IonicContact NH2-OE1 3.35Å
150P98.1Very high97.5Very high20 Ų2070.6 Ų70.613%0.1334%0.341CS..PPolyproline II helixtrans-55.3143.7168.9-19.429.6000111.1V98 R134 V140 L143 T152V98-P150 CarbonylContact O-C 3.51Å; V98-P150 WeakPolarHBondContact O-CA 3.41Å; R134-P150 HydrophobicContact CG-CB 4.13Å; V140-P150 HydrophobicContact CG2-CG 3.84Å; L143-P150 HydrophobicContact CD1-CG 3.93Å; P150-T152 PolarHBondContact O-N 3.02Å
151V98.4Very high97.6Very high0 Ų076.2 Ų76.20%036%0.361CS..PPolyproline II helixtrans-63.6129.6174.2-176.80000108.5F96 V98 F104 R134 R155F96-V151 HydrophobicContact CE2-CB 4.03Å; F96-V151 HydrophobicContact CE2-CG1 3.88Å; F96-V151 HydrophobicContact CE2-CG2 4.15Å; F96-V151 HydrophobicContact CZ-CG1 4.17Å; V98-V151 PolarHBondContact O-N 2.96Å; F104-V151 HydrophobicContact CB-CG2 3.66Å; F104-V151 HydrophobicContact CD1-CG2 4.39Å; F104-V151 HydrophobicContact CD2-CB 4.43Å; F104-V151 HydrophobicContact CD2-CG1 3.58Å; F104-V151 HydrophobicContact CD2-CG2 4.01Å; F104-V151 HydrophobicContact CE2-CG1 3.72Å; F104-V151 HydrophobicContact CG-CG1 4.15Å; F104-V151 HydrophobicContact CG-CG2 3.77Å; F104-V151 HydrophobicContact CZ-CG1 4.42Å; R134-V151 PolarHBondContact NE-O 2.92Å; R134-V151 PolarHBondContact NH2-O 3.43Å; V151-R155 HydrophobicContact CG1-CB 3.97Å
152T98.4Very high97.5Very high70 Ų7076.5 Ų76.543%0.42937%0.37SS..PPolyproline II helixtrans-83.7160.7175.464.30000111.1P150 H154 R155 G156P150-T152 PolarHBondContact O-N 3.02Å; T152-H154 PolarHBondContact O-N 2.99Å; T152-R155 PolarHBondContact O-N 3.4Å; T152-R155 PolarHBondContact OG1-N 3.2Å; T152-G156 PolarHBondContact O-N 2.65Å
153Y98.3Very high97.5Very high93 Ų9370.3 Ų70.337%0.36534%0.343SS..Hα-helixtrans-54.5-42174.7-175.8-84.9000112R155 G156 Q157 Y168 E170Y153-R155 PolarHBondContact O-N 2.77Å; Y153-G156 PolarHBondContact O-N 2.88Å; Y153-Q157 HydrophobicContact CE1-CB 4.42Å; Y153-Q157 WeakPolarHBondContact O-CB 3.42Å; Y153-Q157 PolarHBondContact O-N 2.77Å; Y153-Y168 HydrophobicContact CD2-CD1 4.33Å; Y153-Y168 AromaticContact CD2-CE1 3.77Å; Y153-Y168 HydrophobicContact CD2-CE1 3.77Å; Y153-Y168 HydrophobicContact CE1-CD1 4.36Å; Y153-Y168 AromaticContact CE2-CD1 3.92Å; Y153-Y168 HydrophobicContact CE2-CD1 3.92Å; Y153-Y168 AromaticContact CE2-CE1 3.81Å; Y153-Y168 HydrophobicContact CE2-CE1 3.81Å; Y153-Y168 HydrophobicContact CG-CE1 4.12Å; Y153-Y168 AromaticContact CZ-CD1 3.93Å; Y153-Y168 WeakPolarHBondContact O-CE1 3.48Å; Y153-E170 VanDerWaalsContact CA-OE1 3.31Å; Y153-E170 WeakPolarHBondContact CA-OE1 3.44Å; Y153-E170 VanDerWaalsContact CD2-CD 3.47Å; Y153-E170 HydrophobicContact CD2-CG 4.04Å; Y153-E170 HydrophobicContact CE2-CG 4.37Å
154H98.3Very high97.4Very high112 Ų11272 Ų7252%0.51937%0.366SS..Hα-helixtrans-58.5-50.1178-175.4-89.1000112.1T152 G156 Q157 E158T152-H154 PolarHBondContact O-N 2.99Å; H154-G156 VanDerWaalsContact C-N 3.31Å; H154-G156 PolarHBondContact O-N 3.02Å; H154-Q157 PolarHBondContact O-N 3.03Å; H154-Q157 VanDerWaalsContact O-N 3.16Å; H154-E158 IonicContact CE1-OE1 2.79Å; H154-E158 PolarHBondContact CE1-OE1 3.26Å; H154-E158 IonicContact CE1-OE2 2.68Å; H154-E158 PolarHBondContact CE1-OE2 3.14Å; H154-E158 VanDerWaalsContact CE1-OE2 3.24Å; H154-E158 VanDerWaalsContact ND1-CD 3.3Å; H154-E158 IonicContact ND1-OE1 3.77Å; H154-E158 IonicContact ND1-OE2 3.25Å; H154-E158 PolarHBondContact ND1-OE2 2.91Å; H154-E158 WeakPolarHBondContact O-CG 3.2Å; H154-E158 PolarHBondContact O-N 2.91Å
155R98.2Very high97.4Very high97 Ų9765.5 Ų65.537%0.36634%0.342SS..Hα-helixtrans-62-39.7178.4-72.6-17566.4-161.6-2.2112F104 V151 T152 Y153 E158 M159F104-R155 HydrophobicContact CZ-CB 4.26Å; V151-R155 HydrophobicContact CG1-CB 3.97Å; T152-R155 PolarHBondContact O-N 3.4Å; T152-R155 PolarHBondContact OG1-N 3.2Å; Y153-R155 PolarHBondContact O-N 2.77Å; R155-E158 PolarHBondContact O-N 3.45Å; R155-M159 WeakPolarHBondContact O-CB 3.34Å; R155-M159 PolarHBondContact O-N 2.9Å
156G98.4Very high97.4Very high0 Ų058 Ų580%032%0.318CS..Hα-helixtrans-59.6-45.5173.400000112.7T152 Y153 H154 M159 A160T152-G156 PolarHBondContact O-N 2.65Å; Y153-G156 PolarHBondContact O-N 2.88Å; H154-G156 VanDerWaalsContact C-N 3.31Å; H154-G156 PolarHBondContact O-N 3.02Å; G156-M159 PolarHBondContact O-N 2.99Å; G156-A160 WeakPolarHBondContact O-CB 3.45Å; G156-A160 PolarHBondContact O-N 2.98Å
157Q98Very high97.4Very high33 Ų3352.6 Ų52.615%0.15429%0.289CS..Hα-helixtrans-65.5-42.6177.8-174.4177.584.400112.5Y153 H154 A160 R161 Y168 W199Y153-Q157 HydrophobicContact CE1-CB 4.42Å; Y153-Q157 WeakPolarHBondContact O-CB 3.42Å; Y153-Q157 PolarHBondContact O-N 2.77Å; H154-Q157 PolarHBondContact O-N 3.03Å; H154-Q157 VanDerWaalsContact O-N 3.16Å; Q157-A160 PolarHBondContact O-N 2.89Å; Q157-R161 WeakPolarHBondContact O-CG 3.46Å; Q157-R161 PolarHBondContact O-N 3.44Å; Q157-Y168 HydrophobicContact CB-CD1 3.86Å; Q157-Y168 HydrophobicContact CB-CE1 4.49Å; Q157-Y168 HydrophobicContact CB-CG 4.49Å; Q157-W199 HydrophobicContact CG-CH2 4.37Å; Q157-W199 HydrophobicContact CG-CZ3 3.92Å
158E98.3Very high97.5Very high90 Ų9049.3 Ų49.342%0.42125%0.254SS..Hα-helixtrans-61.6-47.3176-73.3-179.9128.600111.6H154 R155 A160 R161 S162H154-E158 IonicContact CE1-OE1 2.79Å; H154-E158 PolarHBondContact CE1-OE1 3.26Å; H154-E158 IonicContact CE1-OE2 2.68Å; H154-E158 PolarHBondContact CE1-OE2 3.14Å; H154-E158 VanDerWaalsContact CE1-OE2 3.24Å; H154-E158 VanDerWaalsContact ND1-CD 3.3Å; H154-E158 IonicContact ND1-OE1 3.77Å; H154-E158 IonicContact ND1-OE2 3.25Å; H154-E158 PolarHBondContact ND1-OE2 2.91Å; H154-E158 WeakPolarHBondContact O-CG 3.2Å; H154-E158 PolarHBondContact O-N 2.91Å; R155-E158 PolarHBondContact O-N 3.45Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-A160 PolarHBondContact O-N 3.37Å; E158-R161 WeakPolarHBondContact O-CB 3.19Å; E158-R161 PolarHBondContact O-N 3.01Å; E158-S162 PolarHBondContact O-N 2.9Å; E158-S162 PolarHBondContact O-OG 2.97Å; E158-S162 VanDerWaalsContact O-OG 3.13Å
159M98.1Very high97.6Very high15 Ų1546.1 Ų46.17%0.07424%0.238CC..Hα-helixtrans-59.8-44.4176.5177.8-82.2-74.300111.5F96 F104 V107 V126 R155 G156 R161 S162 V163F96-M159 HydrophobicContact CD1-CE 3.96Å; F96-M159 HydrophobicContact CE1-CE 3.73Å; F96-M159 HydrophobicContact CZ-CE 4.48Å; F104-M159 HydrophobicContact CD2-CE 3.97Å; F104-M159 HydrophobicContact CE2-CB 3.52Å; F104-M159 HydrophobicContact CE2-CE 3.93Å; F104-M159 HydrophobicContact CE2-CG 3.91Å; F104-M159 HydrophobicContact CZ-CB 3.6Å; F104-M159 HydrophobicContact CZ-CG 4.07Å; V107-M159 HydrophobicContact CB-CE 3.85Å; V107-M159 HydrophobicContact CB-SD 3.85Å; V107-M159 HydrophobicContact CG1-CE 3.75Å; V107-M159 HydrophobicContact CG1-SD 3.39Å; V107-M159 WeakPolarHBondContact CG1-SD 3.25Å; V107-M159 HydrophobicContact CG2-CE 3.82Å; V107-M159 HydrophobicContact CG2-SD 4.48Å; V126-M159 HydrophobicContact CG1-CE 3.4Å; V126-M159 VanDerWaalsContact CG1-CE 3.4Å; V126-M159 HydrophobicContact CG1-SD 4.18Å; V126-M159 HydrophobicContact CG2-CE 4.42Å; V126-M159 HydrophobicContact CG2-SD 4.17Å; R155-M159 WeakPolarHBondContact O-CB 3.34Å; R155-M159 PolarHBondContact O-N 2.9Å; G156-M159 PolarHBondContact O-N 2.99Å; M159-R161 VanDerWaalsContact C-N 3.28Å; M159-R161 PolarHBondContact O-N 3.19Å; M159-S162 WeakPolarHBondContact O-CB 3.47Å; M159-S162 PolarHBondContact O-N 2.98Å; M159-V163 PolarHBondContact O-N 3.18Å; M159-V163 HydrophobicContact SD-CG1 4.25Å; M159-V163 HydrophobicContact SD-CG2 4.22Å
160A98Very high97.7Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-58.7-39.6177.300000112.2V126 G156 Q157 E158 V163 G164 A165 Y168 W199V126-A160 HydrophobicContact CB-CB 3.82Å; V126-A160 HydrophobicContact CG1-CB 4.3Å; V126-A160 HydrophobicContact CG2-CB 3.96Å; G156-A160 WeakPolarHBondContact O-CB 3.45Å; G156-A160 PolarHBondContact O-N 2.98Å; Q157-A160 PolarHBondContact O-N 2.89Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-A160 PolarHBondContact O-N 3.37Å; A160-V163 WeakPolarHBondContact O-CG2 3.38Å; A160-G164 PolarHBondContact O-N 3.15Å; A160-A165 HydrophobicContact CB-CB 4.11Å; A160-A165 WeakPolarHBondContact O-CB 3.43Å; A160-A165 PolarHBondContact O-N 2.84Å; A160-Y168 HydrophobicContact CB-CD2 4.26Å; A160-Y168 HydrophobicContact CB-CG 4.24Å; A160-W199 HydrophobicContact CB-CH2 3.81Å; A160-W199 HydrophobicContact CB-CZ2 4.25Å
161R97.1Very high97.7Very high132 Ų13241.5 Ų41.550%0.49821%0.214SC..Hα-helixtrans-64.7-43.6172.8-70.3176.5-177.6157.86111.9Q157 E158 M159 V163 G164 W199Q157-R161 WeakPolarHBondContact O-CG 3.46Å; Q157-R161 PolarHBondContact O-N 3.44Å; E158-R161 WeakPolarHBondContact O-CB 3.19Å; E158-R161 PolarHBondContact O-N 3.01Å; M159-R161 VanDerWaalsContact C-N 3.28Å; M159-R161 PolarHBondContact O-N 3.19Å; R161-V163 VanDerWaalsContact C-N 3.29Å; R161-V163 PolarHBondContact O-N 3.31Å; R161-G164 PolarHBondContact O-N 3.13Å; R161-W199 HydrophobicContact CG-CH2 4.01Å; R161-W199 HydrophobicContact CG-CZ2 3.79Å
162S96.4Very high97.7Very high89 Ų8941.5 Ų41.562%0.62221%0.214SC*.Hα-helixtrans-62.4-33-179.3-62.40000113.5E158 M159 G164E158-S162 PolarHBondContact O-N 2.9Å; E158-S162 PolarHBondContact O-OG 2.97Å; E158-S162 VanDerWaalsContact O-OG 3.13Å; M159-S162 WeakPolarHBondContact O-CB 3.47Å; M159-S162 PolarHBondContact O-N 2.98Å; S162-G164 VanDerWaalsContact C-N 3.29Å
163V96.1Very high97.7Very high2 Ų238.6 Ų38.61%0.01220%0.198CC..THydrogen-bonded Turntrans-88.67.3175.7-57.40000113.3F108 Y112 V126 M159 A160 R161 A165F108-V163 HydrophobicContact CD2-CG1 4Å; Y112-V163 HydrophobicContact CD1-CB 4.4Å; Y112-V163 HydrophobicContact CD1-CG1 4.25Å; Y112-V163 HydrophobicContact CD2-CB 3.67Å; Y112-V163 HydrophobicContact CD2-CG1 4.26Å; Y112-V163 HydrophobicContact CE2-CB 4.11Å; Y112-V163 WeakPolarHBondContact CE2-O 3.48Å; Y112-V163 HydrophobicContact CG-CB 3.82Å; Y112-V163 HydrophobicContact CG-CG1 3.87Å; V126-V163 HydrophobicContact CG2-CG2 3.92Å; M159-V163 PolarHBondContact O-N 3.18Å; M159-V163 HydrophobicContact SD-CG1 4.25Å; M159-V163 HydrophobicContact SD-CG2 4.22Å; A160-V163 WeakPolarHBondContact O-CG2 3.38Å; R161-V163 VanDerWaalsContact C-N 3.29Å; R161-V163 PolarHBondContact O-N 3.31Å; V163-A165 VanDerWaalsContact C-N 3.25Å; V163-A165 HydrophobicContact CG2-CB 4.12Å; V163-A165 PolarHBondContact O-N 3.4Å
164G95.3Very high97.7Very high58 Ų5841.2 Ų41.260%0.59821%0.207SC*.THydrogen-bonded Turntrans67.323.5-179.800000114A160 R161 S162A160-G164 PolarHBondContact O-N 3.15Å; R161-G164 PolarHBondContact O-N 3.13Å; S162-G164 VanDerWaalsContact C-N 3.29Å
165A96.8Very high97.6Very high2 Ų240.9 Ų40.92%0.01721%0.208CC..  trans-63.2147.6174.700000110.4I124 V126 A160 V163 A167 W199I124-A165 HydrophobicContact CB-CB 4.41Å; I124-A165 HydrophobicContact CG2-CB 4.01Å; I124-A165 CarbonylContact O-C 3.59Å; I124-A165 VanDerWaalsContact O-CA 3.27Å; I124-A165 WeakPolarHBondContact O-CA 3.35Å; I124-A165 WeakPolarHBondContact O-CB 3.5Å; V126-A165 HydrophobicContact CG2-CB 3.86Å; A160-A165 HydrophobicContact CB-CB 4.11Å; A160-A165 WeakPolarHBondContact O-CB 3.43Å; A160-A165 PolarHBondContact O-N 2.84Å; V163-A165 VanDerWaalsContact C-N 3.25Å; V163-A165 HydrophobicContact CG2-CB 4.12Å; V163-A165 PolarHBondContact O-N 3.4Å; A165-A167 VanDerWaalsContact C-N 3.34Å; A165-W199 VanDerWaalsContact O-CZ2 3.23Å; A165-W199 WeakPolarHBondContact O-CZ2 3.19Å; A165-W199 PolarHBondContact O-NE1 2.98Å
166V96.5Very high97.6Very high39 Ų3941.1 Ų41.124%0.23621%0.213CC..SBendtrans-80.5-21.9176.6-59.30000111.7P123 I124 I125 V189 F198P123-V166 HydrophobicContact CB-CG1 4.18Å; P123-V166 HydrophobicContact CB-CG2 4.32Å; I124-V166 WeakPolarHBondContact O-CG2 3.45Å; I124-V166 PolarHBondContact O-N 3Å; I125-V166 HydrophobicContact CG1-CG2 4.06Å; V166-V189 HydrophobicContact CG2-CG1 3.88Å; V166-V189 HydrophobicContact CG2-CG2 3.79Å; V166-F198 HydrophobicContact CB-CB 4.14Å; V166-F198 HydrophobicContact CB-CD1 4.42Å; V166-F198 HydrophobicContact CB-CG 4.45Å; V166-F198 HydrophobicContact CG2-CD1 4.33Å; V166-F198 WeakPolarHBondContact O-CB 3.46Å; V166-F198 WeakPolarHBondContact O-CD1 3.01Å
167A96.5Very high97.6Very high0 Ų045.5 Ų45.50%024%0.237CC..EExtended strand (participates in β ladder)trans-151.2157.6-179.700000112.6I125 V126 A165 L169 F198 I202I125-A167 HydrophobicContact CG1-CB 4.27Å; I125-A167 HydrophobicContact CG2-CB 4.11Å; V126-A167 PolarHBondContact N-O 2.96Å; A165-A167 VanDerWaalsContact C-N 3.34Å; A167-L169 HydrophobicContact CB-CD1 3.91Å; A167-F198 HydrophobicContact CB-CD1 3.78Å; A167-F198 HydrophobicContact CB-CE1 3.74Å; A167-I202 HydrophobicContact CB-CD1 3.59Å
168Y98.5Very high97.5Very high1 Ų145.7 Ų45.70%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-124126163.9178-122.4000109.4F96 V126 Y153 Q157 A160 E170F96-Y168 AromaticContact CE1-CE2 3.84Å; F96-Y168 HydrophobicContact CE1-CE2 3.84Å; F96-Y168 HydrophobicContact CZ-CE2 4.09Å; V126-Y168 HydrophobicContact CB-CD2 4.05Å; V126-Y168 HydrophobicContact CG1-CD2 3.68Å; V126-Y168 HydrophobicContact CG1-CE2 3.93Å; V126-Y168 WeakPolarHBondContact O-CA 3.24Å; V126-Y168 WeakPolarHBondContact O-CD2 3.47Å; Y153-Y168 HydrophobicContact CD2-CD1 4.33Å; Y153-Y168 AromaticContact CD2-CE1 3.77Å; Y153-Y168 HydrophobicContact CD2-CE1 3.77Å; Y153-Y168 HydrophobicContact CE1-CD1 4.36Å; Y153-Y168 AromaticContact CE2-CD1 3.92Å; Y153-Y168 HydrophobicContact CE2-CD1 3.92Å; Y153-Y168 AromaticContact CE2-CE1 3.81Å; Y153-Y168 HydrophobicContact CE2-CE1 3.81Å; Y153-Y168 HydrophobicContact CG-CE1 4.12Å; Y153-Y168 AromaticContact CZ-CD1 3.93Å; Y153-Y168 WeakPolarHBondContact O-CE1 3.48Å; Q157-Y168 HydrophobicContact CB-CD1 3.86Å; Q157-Y168 HydrophobicContact CB-CE1 4.49Å; Q157-Y168 HydrophobicContact CB-CG 4.49Å; A160-Y168 HydrophobicContact CB-CD2 4.26Å; A160-Y168 HydrophobicContact CB-CG 4.24Å; Y168-E170 HydrophobicContact CE1-CG 3.9Å; Y168-E170 HydrophobicContact CE2-CG 4.36Å; Y168-E170 VanDerWaalsContact OH-CG 3.26Å; Y168-E170 WeakPolarHBondContact OH-CG 3.26Å; Y168-E170 PolarHBondContact OH-OE1 3.41Å
169L98.6Very high97.5Very high9 Ų941.8 Ų41.85%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-127.5159172.5-61.698.2000109.9I125 V126 V127 G128 A167 V182 E185I125-L169 HydrophobicContact CG2-CD1 3.39Å; V126-L169 PolarHBondContact O-N 2.68Å; V127-L169 CarbonylContact C-O 3.58Å; V127-L169 VanDerWaalsContact CA-O 3.29Å; V127-L169 WeakPolarHBondContact CA-O 3.37Å; G128-L169 PolarHBondContact N-O 2.73Å; A167-L169 HydrophobicContact CB-CD1 3.91Å; L169-V182 HydrophobicContact CB-CG2 4.14Å; L169-V182 HydrophobicContact CD2-CG2 4.49Å; L169-E185 HydrophobicContact CD1-CB 4.36Å; L169-E185 HydrophobicContact CD1-CG 4.09Å; L169-E185 HydrophobicContact CD2-CB 4.28Å; L169-E185 HydrophobicContact CD2-CG 4.47Å
170E98.8Very high97.5Very high29 Ų2945.5 Ų45.514%0.13624%0.238CC..EExtended strand (participates in β ladder)trans-125.4149.7172.7-76-173.1173.300109.8G128 T131 R134 Y153 Y168 N178G128-E170 CarbonylContact O-C 3.49Å; G128-E170 WeakPolarHBondContact O-CA 3.37Å; T131-E170 HydrophobicContact CG2-CB 3.66Å; T131-E170 HydrophobicContact CG2-CG 4.14Å; R134-E170 IonicContact CZ-OE1 2.73Å; R134-E170 VanDerWaalsContact CZ-OE1 3.25Å; R134-E170 IonicContact CZ-OE2 3.32Å; R134-E170 IonicContact NH1-OE1 2.73Å; R134-E170 PolarHBondContact NH1-OE1 2.92Å; R134-E170 IonicContact NH1-OE2 2.72Å; R134-E170 PolarHBondContact NH1-OE2 3.32Å; R134-E170 IonicContact NH2-OE1 3.95Å; R134-E170 PolarHBondContact NH2-OE1 3.23Å; R134-E170 IonicContact NH2-OE2 3.73Å; Y153-E170 VanDerWaalsContact CA-OE1 3.31Å; Y153-E170 WeakPolarHBondContact CA-OE1 3.44Å; Y153-E170 VanDerWaalsContact CD2-CD 3.47Å; Y153-E170 HydrophobicContact CD2-CG 4.04Å; Y153-E170 HydrophobicContact CE2-CG 4.37Å; Y168-E170 HydrophobicContact CE1-CG 3.9Å; Y168-E170 HydrophobicContact CE2-CG 4.36Å; Y168-E170 VanDerWaalsContact OH-CG 3.26Å; Y168-E170 WeakPolarHBondContact OH-CG 3.26Å; Y168-E170 PolarHBondContact OH-OE1 3.41Å; E170-N178 VanDerWaalsContact O-CB 3.25Å; E170-N178 WeakPolarHBondContact O-CB 3.2Å; E170-N178 PolarHBondContact O-ND2 3.22Å
171C98.8Very high97.4Very high1 Ų146.9 Ų46.91%0.00725%0.249CC..EExtended strand (participates in β ladder)trans-149.4157177.464.10000112.6G128 C129 K130 T131 D177 N178 V182G128-C171 PolarHBondContact O-N 3.26Å; C129-C171 CarbonylContact C-O 3.04Å; K130-C171 PolarHBondContact N-O 3.12Å; T131-C171 PolarHBondContact N-O 3Å; T131-C171 PolarHBondContact OG1-O 3.22Å; C171-D177 WeakPolarHBondContact CA-O 3.33Å; C171-D177 WeakPolarHBondContact CB-O 3.3Å; C171-N178 HydrophobicContact CB-CB 4.25Å; C171-V182 HydrophobicContact CB-CG2 4.23Å
172S98.6Very high97.5Very high0 Ų040.6 Ų40.60%023%0.226CC..BIsolated β-bridgetrans-119.8105.6163.6174.90000109.1D132 R174 L175 H176 D177D132-S172 WeakPolarHBondContact CB-OG 3.45Å; D132-S172 VanDerWaalsContact OD1-CB 3.29Å; D132-S172 WeakPolarHBondContact OD1-CB 3.28Å; D132-S172 PolarHBondContact OD1-OG 3.39Å; S172-R174 PolarHBondContact O-N 3.44Å; S172-R174 PolarHBondContact OG-N 3.3Å; S172-L175 PolarHBondContact O-N 3.26Å; S172-L175 PolarHBondContact OG-N 3.18Å; S172-H176 CarbonylContact O-C 3.52Å; S172-H176 PolarHBondContact O-N 2.98Å; S172-D177 PolarHBondContact N-O 2.73Å; S172-D177 PolarHBondContact O-N 2.81Å
173A98.3Very high97.6Very high9 Ų936.3 Ų36.37%0.07420%0.196CC..THydrogen-bonded Turntrans-58.9-37170.500000111.1V36 F42 L175 H176V36-A173 HydrophobicContact CB-CB 4.41Å; V36-A173 HydrophobicContact CG2-CB 4.03Å; V36-A173 WeakPolarHBondContact CG2-O 3.47Å; F42-A173 HydrophobicContact CD2-CB 4Å; F42-A173 HydrophobicContact CE2-CB 3.99Å; A173-L175 VanDerWaalsContact C-N 3.34Å; A173-L175 PolarHBondContact O-N 3.31Å; A173-H176 PolarHBondContact O-N 3.22Å
174R97.3Very high97.6Very high148 Ų14839.9 Ų39.956%0.55821%0.212SC*.THydrogen-bonded Turntrans-63.4-37.9-179.6-179.858.7176.1141.1-3.8113F42 S172F42-R174 HydrophobicContact CD2-CB 4.2Å; F42-R174 HydrophobicContact CE2-CB 3.95Å; F42-R174 HydrophobicContact CZ-CB 4.34Å; S172-R174 PolarHBondContact O-N 3.44Å; S172-R174 PolarHBondContact OG-N 3.3Å
175L97.4Very high97.7Very high105 Ų10538.4 Ų38.455%0.5519%0.19SC..THydrogen-bonded Turntrans-97.85.8179.6-58.6-177000113.2D132 S172 A173 D177D132-L175 HydrophobicContact CB-CD1 3.53Å; D132-L175 HydrophobicContact CB-CG 3.77Å; S172-L175 PolarHBondContact O-N 3.26Å; S172-L175 PolarHBondContact OG-N 3.18Å; A173-L175 VanDerWaalsContact C-N 3.34Å; A173-L175 PolarHBondContact O-N 3.31Å; L175-D177 HydrophobicContact CB-CB 4.32Å; L175-D177 PolarHBondContact O-N 2.73Å; L175-D177 VanDerWaalsContact O-N 3.15Å
176H97.3Very high97.7Very high102 Ų10238.3 Ų38.347%0.47219%0.189SC..THydrogen-bonded Turntrans55.724.1-172-62.2-107.3000113.4V36 G40 S172 A173V36-H176 VanDerWaalsContact CG1-ND1 3.34Å; V36-H176 WeakPolarHBondContact CG1-ND1 2.79Å; G40-H176 PolarHBondContact O-CE1 2.68Å; G40-H176 VanDerWaalsContact O-CE1 3.25Å; S172-H176 CarbonylContact O-C 3.52Å; S172-H176 PolarHBondContact O-N 2.98Å; A173-H176 PolarHBondContact O-N 3.22Å
177D98.1Very high97.7Very high91 Ų9136.5 Ų36.549%0.48718%0.178SC..BIsolated β-bridgetrans-87.8125.5-174.9-174.629.3000110.7C171 S172 L175 V179C171-D177 WeakPolarHBondContact CA-O 3.33Å; C171-D177 WeakPolarHBondContact CB-O 3.3Å; S172-D177 PolarHBondContact N-O 2.73Å; S172-D177 PolarHBondContact O-N 2.81Å; L175-D177 HydrophobicContact CB-CB 4.32Å; L175-D177 PolarHBondContact O-N 2.73Å; L175-D177 VanDerWaalsContact O-N 3.15Å; D177-V179 PolarHBondContact O-N 2.9Å
178N97.9Very high97.6Very high38 Ų3838.2 Ų38.220%0.20319%0.186CC..SBendtrans57.18.8178-150.642.9000116.4E170 C171 H180 A181 V182E170-N178 VanDerWaalsContact O-CB 3.25Å; E170-N178 WeakPolarHBondContact O-CB 3.2Å; E170-N178 PolarHBondContact O-ND2 3.22Å; C171-N178 HydrophobicContact CB-CB 4.25Å; N178-H180 PolarHBondContact O-N 3.42Å; N178-A181 PolarHBondContact O-N 3.48Å; N178-A181 WeakPolarHBondContact OD1-CB 3.22Å; N178-V182 WeakPolarHBondContact O-CG2 3.45Å; N178-V182 PolarHBondContact O-N 3.13Å
179V98.2Very high97.4Very high7 Ų738.5 Ų38.54%0.04219%0.188CC..Hα-helixtrans-58.8-51.1-178.5169.30000111.8L33 V36 F37 D177 A181 V182 F183L33-V179 HydrophobicContact CD1-CB 4.25Å; L33-V179 HydrophobicContact CD1-CG1 3.88Å; L33-V179 HydrophobicContact CD1-CG2 4.1Å; V36-V179 HydrophobicContact CB-CG1 4.32Å; V36-V179 HydrophobicContact CG1-CB 4.35Å; V36-V179 HydrophobicContact CG1-CG1 4.03Å; V36-V179 HydrophobicContact CG1-CG2 3.99Å; F37-V179 HydrophobicContact CB-CG1 3.68Å; D177-V179 PolarHBondContact O-N 2.9Å; V179-A181 VanDerWaalsContact C-N 3.3Å; V179-A181 PolarHBondContact O-N 3.25Å; V179-V182 PolarHBondContact O-N 3.18Å; V179-F183 WeakPolarHBondContact O-CD2 3.24Å
180H96.5Very high97.2Very high93 Ų9339.4 Ų39.443%0.43120%0.197SC..Hα-helixtrans-65.5-34.8-179-168.2-87.8000112.4F37 L58 N178 V182 F183 Q184F37-H180 AromaticContact CE2-CD2 3.72Å; L58-H180 WeakPolarHBondContact CD1-NE2 3.44Å; N178-H180 PolarHBondContact O-N 3.42Å; H180-V182 VanDerWaalsContact C-N 3.34Å; H180-V182 PolarHBondContact O-N 3.26Å; H180-F183 PolarHBondContact O-N 3.32Å; H180-Q184 PolarHBondContact CE1-NE2 2.87Å; H180-Q184 VanDerWaalsContact CE1-NE2 3.29Å; H180-Q184 PolarHBondContact ND1-OE1 3.44Å; H180-Q184 WeakPolarHBondContact O-CG 3.48Å; H180-Q184 PolarHBondContact O-N 3.17Å
181A97.2Very high96.9Very high29 Ų2940.1 Ų40.124%0.2420%0.201CC..Hα-helixtrans-65.3-36.9179.300000112.1N178 V179 F183 Q184 E185N178-A181 PolarHBondContact O-N 3.48Å; N178-A181 WeakPolarHBondContact OD1-CB 3.22Å; V179-A181 VanDerWaalsContact C-N 3.3Å; V179-A181 PolarHBondContact O-N 3.25Å; A181-F183 VanDerWaalsContact C-N 3.33Å; A181-F183 PolarHBondContact O-N 2.77Å; A181-Q184 PolarHBondContact O-N 2.57Å; A181-E185 VanDerWaalsContact O-CB 3.3Å; A181-E185 WeakPolarHBondContact O-CB 3.36Å; A181-E185 PolarHBondContact O-N 3.28Å
182V98.5Very high96.4Very high0 Ų041.4 Ų41.40%021%0.211CC..Hα-helixtrans-56.9-46.9175.5170.90000111.1L33 L93 V127 L169 C171 N178 V179 H180 E185 A186L33-V182 HydrophobicContact CD2-CG1 4.24Å; L93-V182 HydrophobicContact CD1-CG1 3.82Å; L93-V182 HydrophobicContact CD2-CG1 4.47Å; V127-V182 HydrophobicContact CG1-CG1 4.39Å; V127-V182 HydrophobicContact CG1-CG2 4.12Å; V127-V182 HydrophobicContact CG2-CG1 3.94Å; L169-V182 HydrophobicContact CB-CG2 4.14Å; L169-V182 HydrophobicContact CD2-CG2 4.49Å; C171-V182 HydrophobicContact CB-CG2 4.23Å; N178-V182 WeakPolarHBondContact O-CG2 3.45Å; N178-V182 PolarHBondContact O-N 3.13Å; V179-V182 PolarHBondContact O-N 3.18Å; H180-V182 VanDerWaalsContact C-N 3.34Å; H180-V182 PolarHBondContact O-N 3.26Å; V182-E185 PolarHBondContact O-N 3.22Å; V182-A186 WeakPolarHBondContact O-CB 3.22Å; V182-A186 PolarHBondContact O-N 3.02Å
183F97.9Very high94.8Very high0 Ų045.6 Ų45.60%024%0.24CC..Hα-helixtrans-78.5-30.7-178.8-68.8-79.8000113.3L22 L33 F37 L67 I69 L93 V179 H180 A181 E185 A186 A187L22-F183 HydrophobicContact CD1-CE1 4.28Å; L33-F183 HydrophobicContact CD1-CE2 3.82Å; L33-F183 HydrophobicContact CD2-CE2 4.44Å; L33-F183 HydrophobicContact CD2-CZ 4.47Å; L33-F183 HydrophobicContact CG-CE2 3.75Å; L33-F183 HydrophobicContact CG-CZ 4.01Å; F37-F183 HydrophobicContact CB-CD2 3.55Å; F37-F183 HydrophobicContact CB-CE2 3.37Å; F37-F183 HydrophobicContact CB-CG 4.49Å; F37-F183 HydrophobicContact CB-CZ 4.21Å; F37-F183 HydrophobicContact CD1-CB 4.24Å; F37-F183 HydrophobicContact CD1-CD1 4.07Å; F37-F183 AromaticContact CD1-CD2 3.61Å; F37-F183 HydrophobicContact CD1-CD2 3.61Å; F37-F183 HydrophobicContact CD1-CE1 4.33Å; F37-F183 AromaticContact CD1-CE2 3.88Å; F37-F183 HydrophobicContact CD1-CE2 3.88Å; F37-F183 AromaticContact CD1-CG 3.7Å; F37-F183 HydrophobicContact CD1-CG 3.7Å; F37-F183 HydrophobicContact CD1-CZ 4.23Å; F37-F183 HydrophobicContact CD2-CB 3.91Å; F37-F183 AromaticContact CD2-CD2 3.43Å; F37-F183 HydrophobicContact CD2-CD2 3.43Å; F37-F183 VanDerWaalsContact CD2-CD2 3.43Å; F37-F183 HydrophobicContact CD2-CE2 4.19Å; F37-F183 AromaticContact CD2-CG 3.88Å; F37-F183 HydrophobicContact CD2-CG 3.88Å; F37-F183 HydrophobicContact CE1-CB 3.89Å; F37-F183 HydrophobicContact CE1-CD1 4.14Å; F37-F183 HydrophobicContact CE1-CD2 4.16Å; F37-F183 AromaticContact CE1-CG 3.8Å; F37-F183 HydrophobicContact CE1-CG 3.8Å; F37-F183 HydrophobicContact CE2-CB 3.53Å; F37-F183 AromaticContact CE2-CD2 3.99Å; F37-F183 HydrophobicContact CE2-CD2 3.99Å; F37-F183 AromaticContact CE2-CG 3.97Å; F37-F183 HydrophobicContact CE2-CG 3.97Å; F37-F183 HydrophobicContact CG-CB 4.25Å; F37-F183 HydrophobicContact CG-CD1 4.49Å; F37-F183 AromaticContact CG-CD2 3.2Å; F37-F183 HydrophobicContact CG-CD2 3.2Å; F37-F183 AromaticContact CG-CE2 3.54Å; F37-F183 HydrophobicContact CG-CE2 3.54Å; F37-F183 AromaticContact CG-CG 3.74Å; F37-F183 HydrophobicContact CG-CG 3.74Å; F37-F183 HydrophobicContact CG-CZ 4.32Å; F37-F183 HydrophobicContact CZ-CB 3.52Å; F37-F183 HydrophobicContact CZ-CD2 4.32Å; F37-F183 AromaticContact CZ-CG 3.93Å; F37-F183 HydrophobicContact CZ-CG 3.93Å; L67-F183 HydrophobicContact CD2-CB 4.09Å; L67-F183 HydrophobicContact CD2-CD1 4.33Å; I69-F183 HydrophobicContact CD1-CD1 3.77Å; I69-F183 HydrophobicContact CD1-CE1 3.65Å; I69-F183 HydrophobicContact CD1-CZ 4.41Å; I69-F183 HydrophobicContact CG1-CD1 4.36Å; I69-F183 HydrophobicContact CG1-CE1 4.17Å; I69-F183 HydrophobicContact CG2-CE1 3.95Å; L93-F183 HydrophobicContact CD1-CD1 4.47Å; L93-F183 HydrophobicContact CD1-CE1 4.11Å; V179-F183 WeakPolarHBondContact O-CD2 3.24Å; H180-F183 PolarHBondContact O-N 3.32Å; A181-F183 VanDerWaalsContact C-N 3.33Å; A181-F183 PolarHBondContact O-N 2.77Å; F183-E185 VanDerWaalsContact C-N 3.35Å; F183-A186 PolarHBondContact O-N 3.27Å; F183-A187 WeakPolarHBondContact O-CB 3.29Å; F183-A187 PolarHBondContact O-N 3.03Å
184Q96.4Very high92.7Very high76 Ų7655 Ų5536%0.35527%0.273SS..Hα-helixtrans-60.4-46.1168-80-177.1-46.100111.5L58 H180 A181 A187 E188L58-Q184 HydrophobicContact CD1-CG 4.14Å; L58-Q184 HydrophobicContact CD2-CG 4.03Å; H180-Q184 PolarHBondContact CE1-NE2 2.87Å; H180-Q184 VanDerWaalsContact CE1-NE2 3.29Å; H180-Q184 PolarHBondContact ND1-OE1 3.44Å; H180-Q184 WeakPolarHBondContact O-CG 3.48Å; H180-Q184 PolarHBondContact O-N 3.17Å; A181-Q184 PolarHBondContact O-N 2.57Å; Q184-A187 PolarHBondContact O-N 2.56Å; Q184-E188 WeakPolarHBondContact O-CG 3.41Å; Q184-E188 PolarHBondContact O-N 3.04Å
185E96.9Very high90.5Very high28 Ų2851.8 Ų51.813%0.13129%0.286CS..Hα-helixtrans-65.5-41.6179.6-16375.9147.100111.3I125 L169 A181 V182 F183 A187 E188 V189 F198 I202I125-E185 HydrophobicContact CD1-CB 4.45Å; I125-E185 HydrophobicContact CD1-CG 4.24Å; L169-E185 HydrophobicContact CD1-CB 4.36Å; L169-E185 HydrophobicContact CD1-CG 4.09Å; L169-E185 HydrophobicContact CD2-CB 4.28Å; L169-E185 HydrophobicContact CD2-CG 4.47Å; A181-E185 VanDerWaalsContact O-CB 3.3Å; A181-E185 WeakPolarHBondContact O-CB 3.36Å; A181-E185 PolarHBondContact O-N 3.28Å; V182-E185 PolarHBondContact O-N 3.22Å; F183-E185 VanDerWaalsContact C-N 3.35Å; E185-A187 PolarHBondContact O-N 3.25Å; E185-E188 PolarHBondContact O-N 3.05Å; E185-V189 WeakPolarHBondContact O-CB 3.41Å; E185-V189 VanDerWaalsContact O-CG2 3.29Å; E185-V189 WeakPolarHBondContact O-CG2 3.5Å; E185-V189 PolarHBondContact O-N 3.42Å; E185-F198 HydrophobicContact CG-CE1 3.46Å; E185-F198 VanDerWaalsContact CG-CE1 3.46Å; E185-F198 HydrophobicContact CG-CZ 3.5Å; E185-F198 VanDerWaalsContact CG-CZ 3.5Å; E185-F198 WeakPolarHBondContact OE1-CE1 3.38Å; E185-F198 WeakPolarHBondContact OE1-CZ 3.41Å; E185-F198 WeakPolarHBondContact OE2-CZ 3.37Å; E185-I202 WeakPolarHBondContact OE1-CD1 3.43Å; E185-I202 WeakPolarHBondContact OE1-CG1 3.29Å
186A97.3Very high88.6Confident0 Ų052.8 Ų52.80%028%0.283CS..Hα-helixtrans-55.5-48.8172.900000112V20 V91 L93 I125 V182 F183 V189 A190V20-A186 HydrophobicContact CG1-CB 4.3Å; V20-A186 HydrophobicContact CG2-CB 4.2Å; V91-A186 HydrophobicContact CG1-CB 3.91Å; L93-A186 HydrophobicContact CD2-CB 4.15Å; I125-A186 HydrophobicContact CD1-CB 4.25Å; V182-A186 WeakPolarHBondContact O-CB 3.22Å; V182-A186 PolarHBondContact O-N 3.02Å; F183-A186 PolarHBondContact O-N 3.27Å; A186-V189 PolarHBondContact O-N 3.43Å; A186-A190 WeakPolarHBondContact O-CB 3.47Å; A186-A190 PolarHBondContact O-N 3.35Å
187A96.6Very high86.7Confident0 Ų054 Ų540%029%0.293CS..Hα-helixtrans-64.9-41.5178.300000112.1L58 V60 L67 F183 Q184 E185 A190 L191L58-A187 HydrophobicContact CD2-CB 3.96Å; V60-A187 HydrophobicContact CG2-CB 3.72Å; L67-A187 HydrophobicContact CD1-CB 4.08Å; L67-A187 HydrophobicContact CD2-CB 4.38Å; L67-A187 HydrophobicContact CG-CB 4.45Å; F183-A187 WeakPolarHBondContact O-CB 3.29Å; F183-A187 PolarHBondContact O-N 3.03Å; Q184-A187 PolarHBondContact O-N 2.56Å; E185-A187 PolarHBondContact O-N 3.25Å; A187-A190 PolarHBondContact O-N 3.45Å; A187-L191 WeakPolarHBondContact O-CB 3.34Å; A187-L191 WeakPolarHBondContact O-CD1 3.44Å; A187-L191 WeakPolarHBondContact O-CG 3.24Å; A187-L191 PolarHBondContact O-N 3.09Å
188E95.1Very high85Confident36 Ų3650 Ų5017%0.16827%0.271CS..Hα-helixtrans-63.8-43.2176.6-77.5-153.7176.200113.3V60 K61 Q184 E185 L191 S192 R201V60-E188 HydrophobicContact CG1-CG 3.63Å; K61-E188 WeakPolarHBondContact CE-OE1 3.14Å; K61-E188 IonicContact NZ-OE2 2.64Å; Q184-E188 WeakPolarHBondContact O-CG 3.41Å; Q184-E188 PolarHBondContact O-N 3.04Å; E185-E188 PolarHBondContact O-N 3.05Å; E188-L191 PolarHBondContact O-N 3.16Å; E188-S192 WeakPolarHBondContact O-CB 3.41Å; E188-S192 PolarHBondContact O-N 3.37Å; E188-S192 VanDerWaalsContact O-N 3.11Å; E188-R201 IonicContact OE1-NH2 3.09Å; E188-R201 IonicContact OE2-CZ 3.15Å; E188-R201 IonicContact OE2-NH1 2.78Å; E188-R201 PolarHBondContact OE2-NH1 3.23Å; E188-R201 IonicContact OE2-NH2 3.64Å; E188-R201 PolarHBondContact OE2-NH2 3.33Å
189V94.9Very high83.4Confident7 Ų751.3 Ų51.34%0.04227%0.273CS..Hα-helixtrans-59.5-51.9175.9164.90000109.9V91 P123 I125 V166 E185 A186 L191 S192 F198V91-V189 HydrophobicContact CG2-CB 4.44Å; V91-V189 HydrophobicContact CG2-CG1 3.99Å; P123-V189 HydrophobicContact CB-CG1 3.47Å; P123-V189 VanDerWaalsContact CB-CG1 3.47Å; P123-V189 HydrophobicContact CG-CG1 3.44Å; P123-V189 VanDerWaalsContact CG-CG1 3.44Å; I125-V189 HydrophobicContact CD1-CB 4.37Å; I125-V189 HydrophobicContact CD1-CG2 3.95Å; I125-V189 HydrophobicContact CG1-CG2 4.42Å; V166-V189 HydrophobicContact CG2-CG1 3.88Å; V166-V189 HydrophobicContact CG2-CG2 3.79Å; E185-V189 WeakPolarHBondContact O-CB 3.41Å; E185-V189 VanDerWaalsContact O-CG2 3.29Å; E185-V189 WeakPolarHBondContact O-CG2 3.5Å; E185-V189 PolarHBondContact O-N 3.42Å; A186-V189 PolarHBondContact O-N 3.43Å; V189-L191 VanDerWaalsContact C-N 3.26Å; V189-L191 PolarHBondContact O-N 3.4Å; V189-S192 PolarHBondContact O-N 2.78Å; V189-S192 VanDerWaalsContact O-N 3.15Å; V189-S192 PolarHBondContact O-OG 3.3Å; V189-F198 HydrophobicContact CB-CZ 4.5Å; V189-F198 HydrophobicContact CG2-CD1 4.18Å; V189-F198 HydrophobicContact CG2-CD2 4.08Å; V189-F198 HydrophobicContact CG2-CE1 3.53Å; V189-F198 HydrophobicContact CG2-CE2 3.49Å; V189-F198 VanDerWaalsContact CG2-CE2 3.49Å; V189-F198 HydrophobicContact CG2-CG 4.37Å; V189-F198 HydrophobicContact CG2-CZ 3.15Å
190A94.3Very high81.4Confident29 Ų2960.1 Ų60.124%0.2431%0.306CS..Hα-helixtrans-60.2-35-17900000113.1V18 V91 A186 A187V18-A190 HydrophobicContact CB-CB 4.29Å; V18-A190 HydrophobicContact CG1-CB 3.38Å; V18-A190 HydrophobicContact CG2-CB 3.9Å; V91-A190 HydrophobicContact CB-CB 4.33Å; V91-A190 HydrophobicContact CG1-CB 4.22Å; A186-A190 WeakPolarHBondContact O-CB 3.47Å; A186-A190 PolarHBondContact O-N 3.35Å; A187-A190 PolarHBondContact O-N 3.45Å
191L92.3Very high79.6Confident43 Ų4360.2 Ų60.223%0.22530%0.302CS..THydrogen-bonded Turntrans-89.2-2.7-178.6-64.1171.9000113.8R16 V18 V60 V65 A187 E188 V189R16-L191 HydrophobicContact CB-CD2 4.06Å; V18-L191 HydrophobicContact CG2-CD1 4.27Å; V18-L191 HydrophobicContact CG2-CD2 3.72Å; V18-L191 HydrophobicContact CG2-CG 3.78Å; V60-L191 HydrophobicContact CG1-CD1 4.45Å; V65-L191 HydrophobicContact CB-CD1 4.45Å; V65-L191 HydrophobicContact CG1-CD1 4Å; V65-L191 HydrophobicContact CG2-CD1 3.56Å; A187-L191 WeakPolarHBondContact O-CB 3.34Å; A187-L191 WeakPolarHBondContact O-CD1 3.44Å; A187-L191 WeakPolarHBondContact O-CG 3.24Å; A187-L191 PolarHBondContact O-N 3.09Å; E188-L191 PolarHBondContact O-N 3.16Å; V189-L191 VanDerWaalsContact C-N 3.26Å; V189-L191 PolarHBondContact O-N 3.4Å
192S88.1Confident77.6Confident29 Ų2959.7 Ų59.720%0.20330%0.295CS..SBendtrans-85.7142.7-179.272.90000112.3E188 V189 R194E188-S192 WeakPolarHBondContact O-CB 3.41Å; E188-S192 PolarHBondContact O-N 3.37Å; E188-S192 VanDerWaalsContact O-N 3.11Å; V189-S192 PolarHBondContact O-N 2.78Å; V189-S192 VanDerWaalsContact O-N 3.15Å; V189-S192 PolarHBondContact O-OG 3.3Å; S192-R194 PolarHBondContact O-N 3.06Å
193S64.3Low75.3Confident88 Ų8864.1 Ų64.162%0.61532%0.323SS*.PPolyproline II helixtrans-63.9129171.8-34.40000109.4G195S193-G195 PolarHBondContact O-N 3.3Å
194R55.1Low72.8Confident206 Ų20672 Ų7278%0.77736%0.359SS*.THydrogen-bonded Turntrans-48.3121.6177.1-77.5-178.6164161.9-0.2110.1K121 S192K121-R194 VanDerWaalsContact CB-NH2 3.28Å; K121-R194 PolarHBondContact O-NH2 3.25Å; S192-R194 PolarHBondContact O-N 3.06Å
195G51.2Low70.1Confident81 Ų8171.6 Ų71.684%0.83538%0.375SS*.THydrogen-bonded Turntrans127.84.417600000117.4S193S193-G195 PolarHBondContact O-N 3.3Å
196R56.6Low67.6Low126 Ų12676 Ų7648%0.47539%0.394SS..  trans-87.1128.6174.3-71.1-175.5-136.4154.55.7111.9F198R196-F198 VanDerWaalsContact C-N 3.34Å; R196-F198 PolarHBondContact O-N 3.38Å
197N57.5Low64.5Low126 Ų12681.3 Ų81.367%0.67443%0.43SS*.  trans-69.288.8170.5-76.7-39.6000110.5W199 R200N197-W199 VanDerWaalsContact C-N 3.35Å; N197-W199 PolarHBondContact O-N 3.12Å; N197-R200 PolarHBondContact O-N 3.08Å
198F61.8Low61.6Low9 Ų987 Ų874%0.03947%0.465CS..THydrogen-bonded Turntrans-69.5-32.3-170.6-157.7-100.9000113.3V166 A167 E185 V189 R196 R200 R201 I202V166-F198 HydrophobicContact CB-CB 4.14Å; V166-F198 HydrophobicContact CB-CD1 4.42Å; V166-F198 HydrophobicContact CB-CG 4.45Å; V166-F198 HydrophobicContact CG2-CD1 4.33Å; V166-F198 WeakPolarHBondContact O-CB 3.46Å; V166-F198 WeakPolarHBondContact O-CD1 3.01Å; A167-F198 HydrophobicContact CB-CD1 3.78Å; A167-F198 HydrophobicContact CB-CE1 3.74Å; E185-F198 HydrophobicContact CG-CE1 3.46Å; E185-F198 VanDerWaalsContact CG-CE1 3.46Å; E185-F198 HydrophobicContact CG-CZ 3.5Å; E185-F198 VanDerWaalsContact CG-CZ 3.5Å; E185-F198 WeakPolarHBondContact OE1-CE1 3.38Å; E185-F198 WeakPolarHBondContact OE1-CZ 3.41Å; E185-F198 WeakPolarHBondContact OE2-CZ 3.37Å; V189-F198 HydrophobicContact CB-CZ 4.5Å; V189-F198 HydrophobicContact CG2-CD1 4.18Å; V189-F198 HydrophobicContact CG2-CD2 4.08Å; V189-F198 HydrophobicContact CG2-CE1 3.53Å; V189-F198 HydrophobicContact CG2-CE2 3.49Å; V189-F198 VanDerWaalsContact CG2-CE2 3.49Å; V189-F198 HydrophobicContact CG2-CG 4.37Å; V189-F198 HydrophobicContact CG2-CZ 3.15Å; R196-F198 VanDerWaalsContact C-N 3.34Å; R196-F198 PolarHBondContact O-N 3.38Å; F198-R200 PolarHBondContact O-N 2.99Å; F198-R200 VanDerWaalsContact O-N 3.1Å; F198-R201 PolarHBondContact O-N 3.2Å; F198-I202 HydrophobicContact CD1-CD1 4.28Å; F198-I202 HydrophobicContact CE1-CD1 4.18Å
199W65.4Low58.5Low65 Ų6591.4 Ų91.425%0.24649%0.494CS..Hα-helixtrans-52.9-30.4172.8-69.2105.8000114.6Q157 A160 R161 A165 N197 T203Q157-W199 HydrophobicContact CG-CH2 4.37Å; Q157-W199 HydrophobicContact CG-CZ3 3.92Å; A160-W199 HydrophobicContact CB-CH2 3.81Å; A160-W199 HydrophobicContact CB-CZ2 4.25Å; R161-W199 HydrophobicContact CG-CH2 4.01Å; R161-W199 HydrophobicContact CG-CZ2 3.79Å; A165-W199 VanDerWaalsContact O-CZ2 3.23Å; A165-W199 WeakPolarHBondContact O-CZ2 3.19Å; A165-W199 PolarHBondContact O-NE1 2.98Å; N197-W199 VanDerWaalsContact C-N 3.35Å; N197-W199 PolarHBondContact O-N 3.12Å; W199-T203 PolarHBondContact O-OG1 3.45Å
200R56.3Low55.6Low192 Ų192100.7 Ų100.773%0.72555%0.551SS**Hα-helixtrans-73.9-24.8178.5-82.2-175.6166.1-170.6-3.8113.9N197 F198 T203N197-R200 PolarHBondContact O-N 3.08Å; F198-R200 PolarHBondContact O-N 2.99Å; F198-R200 VanDerWaalsContact O-N 3.1Å; R200-T203 PolarHBondContact O-OG1 2.94Å; R200-T203 VanDerWaalsContact O-OG1 3.08Å
201R57.6Low53.7Low95 Ų95104.3 Ų104.336%0.35857%0.566SS.*Hα-helixtrans-77.4-42.4-178.6-76.417870.8-160.50.2111.8E188 F198 T203 Q204 G205E188-R201 IonicContact OE1-NH2 3.09Å; E188-R201 IonicContact OE2-CZ 3.15Å; E188-R201 IonicContact OE2-NH1 2.78Å; E188-R201 PolarHBondContact OE2-NH1 3.23Å; E188-R201 IonicContact OE2-NH2 3.64Å; E188-R201 PolarHBondContact OE2-NH2 3.33Å; F198-R201 PolarHBondContact O-N 3.2Å; R201-T203 PolarHBondContact O-N 3.45Å; R201-Q204 PolarHBondContact O-N 3.33Å; R201-G205 PolarHBondContact O-N 3.39Å
202I55.2Low51.7Low18 Ų18107.5 Ų107.59%0.09258%0.584CS.*Hα-helixtrans-66.4-38.9-177.6-60.4-178.3000111A167 E185 F198 Q204 G205 F206A167-I202 HydrophobicContact CB-CD1 3.59Å; E185-I202 WeakPolarHBondContact OE1-CD1 3.43Å; E185-I202 WeakPolarHBondContact OE1-CG1 3.29Å; F198-I202 HydrophobicContact CD1-CD1 4.28Å; F198-I202 HydrophobicContact CE1-CD1 4.18Å; I202-Q204 PolarHBondContact O-N 3.07Å; I202-G205 PolarHBondContact O-N 3.11Å; I202-F206 HydrophobicContact CG2-CD2 3.81Å; I202-F206 HydrophobicContact CG2-CE2 4.25Å; I202-F206 PolarHBondContact O-N 2.95Å; I202-F206 VanDerWaalsContact O-N 3.15Å
203T50.6Low49.6Very low93 Ų93111.9 Ų111.957%0.57161%0.606SS**Hα-helixtrans-64.6-21.8177.4520000113.9W199 R200 R201W199-T203 PolarHBondContact O-OG1 3.45Å; R200-T203 PolarHBondContact O-OG1 2.94Å; R200-T203 VanDerWaalsContact O-OG1 3.08Å; R201-T203 PolarHBondContact O-N 3.45Å
204Q44.7Very low48.8Very low165 Ų165113.3 Ų113.377%0.77161%0.605SS**Hα-helixtrans-92.5-26.6176.9-70-172.9-22.500112.8R201 I202R201-Q204 PolarHBondContact O-N 3.33Å; I202-Q204 PolarHBondContact O-N 3.07Å
205G40.2Very low48.4Very low67 Ų67107.5 Ų107.569%0.69159%0.594SS**Hα-helixtrans-83.6-20.8178.400000114.8R201 I202R201-G205 PolarHBondContact O-N 3.39Å; I202-G205 PolarHBondContact O-N 3.11Å
206F43.7Very low48.2Very low121 Ų121109.3 Ų109.353%0.53158%0.578SS.*THydrogen-bonded Turntrans-102.419.6-179.9-87.7-87.1000114.1I202 V208I202-F206 HydrophobicContact CG2-CD2 3.81Å; I202-F206 HydrophobicContact CG2-CE2 4.25Å; I202-F206 PolarHBondContact O-N 2.95Å; I202-F206 VanDerWaalsContact O-N 3.15Å; F206-V208 PolarHBondContact O-N 2.83Å
207C33.9Very low47.6Very low111 Ų111108.1 Ų108.175%0.7559%0.585SS**  trans-70.375.7166.9-145.90000108.6V209C207-V209 PolarHBondContact O-N 3.3Å
208V34.5Very low46.8Very low121 Ų121106.7 Ų106.773%0.73358%0.579SS**  trans-71.9113.5165.2-175.40000105.3F206 T210F206-V208 PolarHBondContact O-N 2.83Å; V208-T210 PolarHBondContact O-N 3.15Å
209V30.1Very low45.6Very low128 Ų128114.8 Ų114.878%0.77662%0.624SS**  trans-42122.1166.6179.90000108.6C207C207-V209 PolarHBondContact O-N 3.3Å
210T34.9Very low43.8Very low202 Ų202119.4 Ų119.4100%1.23966%0.658SS**  trans-53.10166.6440000112.3V208V208-T210 PolarHBondContact O-N 3.15Å

Retrieved 210 of 210 residues in 112.4 ms (Link to these results)

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