A0A077ZET9_TRITR Loading...

Fe-ADH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZET9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 395 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
1M93.5Very high94.7Very high101 Ų10191 Ų9150%0.49846%0.461SS..  0138.60-174.8-179.5-54.900108.3F4 E209 G210 T211 Q214M1-F4 HydrophobicContact CG-CE1 4.39Å; M1-F4 HydrophobicContact SD-CE1 3.9Å; M1-E209 PolarHBondContact N-O 2.89Å; M1-G210 WeakPolarHBondContact CB-O 3.21Å; M1-T211 HydrophobicContact CB-CG2 4.15Å; M1-T211 HydrophobicContact CG-CG2 4.44Å; M1-Q214 PolarHBondContact SD-NE2 3.08Å
2E94.8Very high95Very high108 Ų10886.1 Ų86.151%0.50544%0.436SS..  trans-97.9169.6179.7-66.7-175.2-143.600112.6F4 T208 G260 P262E2-F4 WeakPolarHBondContact O-CD1 3.44Å; E2-T208 HydrophobicContact CG-CG2 4.16Å; E2-G260 PolarHBondContact N-O 3.36Å; E2-G260 VanDerWaalsContact N-O 3.08Å; E2-P262 HydrophobicContact CG-CG 4.39Å; E2-P262 VanDerWaalsContact OE1-CG 3.27Å; E2-P262 WeakPolarHBondContact OE1-CG 3.38Å; E2-P262 VanDerWaalsContact OE2-CG 3.3Å; E2-P262 WeakPolarHBondContact OE2-CG 3.36Å
3N96.4Very high95.3Very high173 Ų17382.5 Ų82.593%0.92541%0.414SS*.  trans-68.7139.8176.2-69.8-22.7000111.3
4F95.4Very high95.5Very high95 Ų9581.3 Ų81.342%0.41741%0.405SS..  trans-151.4155.3176.362.6-87.5000112M1 E2 F6 S259 G260M1-F4 HydrophobicContact CG-CE1 4.39Å; M1-F4 HydrophobicContact SD-CE1 3.9Å; E2-F4 WeakPolarHBondContact O-CD1 3.44Å; F4-F6 HydrophobicContact CD2-CB 4.04Å; F4-F6 HydrophobicContact CE2-CB 3.88Å; F4-S259 VanDerWaalsContact CD2-CB 3.41Å; F4-G260 VanDerWaalsContact CD1-N 3.33Å
5D92.5Very high95.7Very high136 Ų13676.5 Ų76.573%0.72739%0.385SS*.  trans-97.7121.3164.6-70.2-24.5000109.1K167D5-K167 IonicContact OD2-NZ 2.76Å
6F94.3Very high95.8Very high102 Ų10279.1 Ų79.145%0.44739%0.393SS..  trans-99.7108.2171.2-172.6-103.8000110.2F4 V8F4-F6 HydrophobicContact CD2-CB 4.04Å; F4-F6 HydrophobicContact CE2-CB 3.88Å; F6-V8 HydrophobicContact CD1-CG2 4.39Å; F6-V8 HydrophobicContact CD2-CG2 4.16Å; F6-V8 HydrophobicContact CE1-CB 4.15Å; F6-V8 HydrophobicContact CE1-CG2 3.83Å; F6-V8 HydrophobicContact CE2-CG2 3.55Å; F6-V8 HydrophobicContact CZ-CB 4.03Å; F6-V8 HydrophobicContact CZ-CG2 3.37Å
7H89.9Confident95.6Very high101 Ų10181.9 Ų81.947%0.46841%0.41SS..  trans-129.495.4-177.6-173.282.2000110.9T9H7-T9 VanDerWaalsContact CE1-CG2 3.45Å; H7-T9 WeakPolarHBondContact CE1-CG2 3.36Å
8V92.2Very high95.8Very high30 Ų3081.3 Ų81.318%0.18240%0.402CS..  trans-134.486.1-179.2-1690000108.9F6 M147 N254F6-V8 HydrophobicContact CD1-CG2 4.39Å; F6-V8 HydrophobicContact CD2-CG2 4.16Å; F6-V8 HydrophobicContact CE1-CB 4.15Å; F6-V8 HydrophobicContact CE1-CG2 3.83Å; F6-V8 HydrophobicContact CE2-CG2 3.55Å; F6-V8 HydrophobicContact CZ-CB 4.03Å; F6-V8 HydrophobicContact CZ-CG2 3.37Å; V8-M147 HydrophobicContact CG1-CE 3.52Å; V8-M147 HydrophobicContact CG1-CG 3.56Å; V8-M147 HydrophobicContact CG1-SD 4.09Å; V8-N254 HydrophobicContact CG1-CB 4.13Å; V8-N254 WeakPolarHBondContact CG2-O 3.41Å
9T95.4Very high95.9Very high84 Ų8478.6 Ų78.652%0.51539%0.389SS..  trans-102.812.2-172.763.20000113.9H7 D11H7-T9 VanDerWaalsContact CE1-CG2 3.45Å; H7-T9 WeakPolarHBondContact CE1-CG2 3.36Å; T9-D11 PolarHBondContact O-N 2.93Å
10T98.4Very high96Very high9 Ų978.3 Ų78.36%0.05540%0.399CS..PPolyproline II helixtrans-62.9125176.8-53.50000109.9I12 E146 L170 P171 S174T10-I12 HydrophobicContact CG2-CD1 3.78Å; T10-I12 PolarHBondContact O-N 3.13Å; T10-E146 WeakPolarHBondContact CG2-O 3.41Å; T10-L170 WeakPolarHBondContact OG1-CG 3.36Å; T10-P171 WeakPolarHBondContact CA-O 3.28Å; T10-P171 WeakPolarHBondContact CB-O 3.47Å; T10-P171 HydrophobicContact CG2-CB 4.09Å; T10-P171 WeakPolarHBondContact CG2-O 3.26Å; T10-P171 PolarHBondContact OG1-O 3.24Å; T10-S174 WeakPolarHBondContact CG2-OG 3.41Å
11D98.5Very high96.1Very high62 Ų6276.8 Ų76.833%0.33239%0.391SS..EExtended strand (participates in β ladder)trans-74.9118.7170.4176.75.8000109.5T9 R13 K172 V173 S174T9-D11 PolarHBondContact O-N 2.93Å; D11-R13 IonicContact OD1-CZ 3.44Å; D11-R13 IonicContact OD1-NE 3.97Å; D11-R13 PolarHBondContact OD1-NE 2.9Å; D11-R13 IonicContact OD1-NH2 2.74Å; D11-R13 IonicContact OD2-CZ 3.52Å; D11-R13 VanDerWaalsContact OD2-CZ 3.31Å; D11-R13 IonicContact OD2-NE 2.66Å; D11-R13 PolarHBondContact OD2-NE 2.87Å; D11-R13 IonicContact OD2-NH2 3.51Å; D11-R13 PolarHBondContact OD2-NH2 2.7Å; D11-K172 PolarHBondContact N-O 3.09Å; D11-V173 HydrophobicContact CB-CB 4.48Å; D11-V173 HydrophobicContact CB-CG1 4.29Å; D11-V173 HydrophobicContact CB-CG2 4.12Å; D11-V173 CarbonylContact O-C 3.46Å; D11-V173 VanDerWaalsContact O-CA 3.25Å; D11-V173 WeakPolarHBondContact O-CA 3.18Å; D11-V173 WeakPolarHBondContact O-CG1 3.23Å; D11-S174 PolarHBondContact O-N 2.96Å
12I98.7Very high96.4Very high32 Ų3272 Ų7216%0.16437%0.367CS..EExtended strand (participates in β ladder)trans-98.8119.7-176.7-59.9-59.2000110.5T10 F14 M147 L176 W247T10-I12 HydrophobicContact CG2-CD1 3.78Å; T10-I12 PolarHBondContact O-N 3.13Å; I12-F14 HydrophobicContact CG2-CB 3.88Å; I12-F14 PolarHBondContact O-N 2.87Å; I12-M147 HydrophobicContact CD1-CB 4.38Å; I12-M147 HydrophobicContact CD1-CG 4.15Å; I12-M147 HydrophobicContact CD1-SD 4.17Å; I12-M147 HydrophobicContact CG1-CE 4.15Å; I12-M147 HydrophobicContact CG1-SD 4.16Å; I12-L176 HydrophobicContact CD1-CD1 4.21Å; I12-L176 HydrophobicContact CG2-CD1 4.27Å; I12-L176 HydrophobicContact CG2-CD2 4.13Å; I12-W247 HydrophobicContact CG1-CH2 4.44Å; I12-W247 HydrophobicContact CG1-CZ3 4.36Å; I12-W247 HydrophobicContact CG2-CH2 4.4Å; I12-W247 HydrophobicContact CG2-CZ3 3.93Å
13R98.6Very high96.5Very high40 Ų4067.9 Ų67.915%0.15135%0.35CS..EExtended strand (participates in β ladder)trans-98.477.1169-52.2-54.6175.6124.9-5.4109.1D11 E21 V173 S174 F175 L176D11-R13 IonicContact OD1-CZ 3.44Å; D11-R13 IonicContact OD1-NE 3.97Å; D11-R13 PolarHBondContact OD1-NE 2.9Å; D11-R13 IonicContact OD1-NH2 2.74Å; D11-R13 IonicContact OD2-CZ 3.52Å; D11-R13 VanDerWaalsContact OD2-CZ 3.31Å; D11-R13 IonicContact OD2-NE 2.66Å; D11-R13 PolarHBondContact OD2-NE 2.87Å; D11-R13 IonicContact OD2-NH2 3.51Å; D11-R13 PolarHBondContact OD2-NH2 2.7Å; R13-E21 WeakPolarHBondContact CD-OE2 3.38Å; R13-E21 IonicContact CZ-OE2 3.43Å; R13-E21 IonicContact NE-OE2 3.31Å; R13-E21 IonicContact NH1-OE2 3.34Å; R13-E21 PolarHBondContact NH1-OE2 3.32Å; R13-V173 HydrophobicContact CG-CG1 3.88Å; R13-S174 PolarHBondContact N-O 3.49Å; R13-F175 HydrophobicContact CB-CD1 3.54Å; R13-F175 HydrophobicContact CB-CE1 3.75Å; R13-F175 HydrophobicContact CB-CG 4.1Å; R13-F175 HydrophobicContact CB-CZ 4.47Å; R13-F175 HydrophobicContact CG-CD1 4.08Å; R13-F175 HydrophobicContact CG-CE1 3.82Å; R13-F175 HydrophobicContact CG-CZ 4.11Å; R13-F175 WeakPolarHBondContact O-CA 3.42Å; R13-L176 PolarHBondContact O-N 3.3Å
14F98.8Very high96.6Very high65 Ų6565.4 Ų65.429%0.28533%0.333SS..EExtended strand (participates in β ladder)trans-84.1140.7179.7-168.2-87.2000111.6I12 R18 L176 P178 A243 M246 W247I12-F14 HydrophobicContact CG2-CB 3.88Å; I12-F14 PolarHBondContact O-N 2.87Å; F14-R18 WeakPolarHBondContact O-CD 3.33Å; F14-R18 PolarHBondContact O-NH1 3.38Å; F14-L176 WeakPolarHBondContact CA-O 3.19Å; F14-L176 HydrophobicContact CB-CB 4.44Å; F14-L176 HydrophobicContact CD2-CB 3.58Å; F14-L176 HydrophobicContact CD2-CD2 4.04Å; F14-L176 HydrophobicContact CD2-CG 4.49Å; F14-L176 HydrophobicContact CE2-CB 4.24Å; F14-L176 HydrophobicContact CG-CB 4.35Å; F14-P178 HydrophobicContact CE1-CG 4.41Å; F14-P178 HydrophobicContact CZ-CG 4.07Å; F14-A243 HydrophobicContact CE1-CB 4.35Å; F14-A243 HydrophobicContact CZ-CB 3.92Å; F14-M246 HydrophobicContact CE2-CG 4.28Å; F14-M246 HydrophobicContact CE2-SD 4.19Å; F14-W247 HydrophobicContact CD2-CE3 4.04Å; F14-W247 HydrophobicContact CE2-CB 4.04Å; F14-W247 HydrophobicContact CE2-CE3 4.27Å; F14-W247 HydrophobicContact CZ-CB 4.39Å
15G98.4Very high96.8Very high10 Ų1060.9 Ų60.910%0.10331%0.313CS..SBendtrans111.6167.1173.500000113.9L176G15-L176 PolarHBondContact N-O 3.29Å
16K96.8Very high97.1Very high118 Ų11854.4 Ų54.451%0.51328%0.278SS..THydrogen-bonded Turntrans-66.9155.4179.160.7177.8-174.3-178.80114.3R18 D177 Q179 Y239K16-R18 WeakPolarHBondContact O-CG 3.39Å; K16-R18 PolarHBondContact O-N 3.16Å; K16-D177 WeakPolarHBondContact CA-OD2 3.5Å; K16-Q179 HydrophobicContact CB-CG 4.35Å; K16-Y239 HydrophobicContact CB-CE2 4.14Å; K16-Y239 HydrophobicContact CD-CE2 4.44Å; K16-Y239 HydrophobicContact CG-CE2 4.42Å; K16-Y239 PolarHBondContact N-OH 3.31Å
17D93.5Very high97.3Very high127 Ų12753.3 Ų53.368%0.67928%0.277SS*.THydrogen-bonded Turntrans63.820.3169-56.3-52.4000115D177D17-D177 PolarHBondContact N-OD2 2.55Å
18R97.9Very high97.7Very high71 Ų7153.9 Ų53.927%0.26828%0.28SS..  trans-92.1-3.2-178.8-57.7-162.368.5-176.5-2.2114.9F14 K16 A20 E21 F175F14-R18 WeakPolarHBondContact O-CD 3.33Å; F14-R18 PolarHBondContact O-NH1 3.38Å; K16-R18 WeakPolarHBondContact O-CG 3.39Å; K16-R18 PolarHBondContact O-N 3.16Å; R18-A20 PolarHBondContact O-N 2.97Å; R18-A20 VanDerWaalsContact O-N 3.11Å; R18-E21 IonicContact CZ-OE1 3.46Å; R18-E21 VanDerWaalsContact CZ-OE1 3.28Å; R18-E21 IonicContact CZ-OE2 3.58Å; R18-E21 IonicContact NE-OE1 2.94Å; R18-E21 PolarHBondContact NE-OE1 3.39Å; R18-E21 IonicContact NE-OE2 3.01Å; R18-E21 VanDerWaalsContact NH2-CD 3.29Å; R18-E21 IonicContact NH2-OE1 3.66Å; R18-E21 PolarHBondContact NH2-OE1 2.98Å; R18-E21 IonicContact NH2-OE2 3.72Å; R18-E21 PolarHBondContact NH2-OE2 3.31Å; R18-E21 WeakPolarHBondContact O-CB 3.02Å; R18-E21 WeakPolarHBondContact O-CG 3.36Å; R18-E21 PolarHBondContact O-N 3.37Å; R18-F175 WeakPolarHBondContact O-CE1 3.07Å
19L97.9Very high98Very high30 Ų3055.7 Ų55.716%0.15728%0.284CS..G310 helixtrans-59.9-24.9-177.9-175.962000113.2E21 L22 L47 K50 V51 Q54 I137L19-E21 PolarHBondContact O-N 3.48Å; L19-E21 VanDerWaalsContact O-N 3.16Å; L19-L22 HydrophobicContact CD1-CB 4.23Å; L19-L22 HydrophobicContact CD1-CD2 4Å; L19-L22 WeakPolarHBondContact O-CB 3.32Å; L19-L22 PolarHBondContact O-N 3.47Å; L19-L47 HydrophobicContact CD2-CD1 4.17Å; L19-K50 HydrophobicContact CD2-CB 3.69Å; L19-V51 HydrophobicContact CD1-CG2 4.18Å; L19-V51 HydrophobicContact CD2-CG2 4.31Å; L19-Q54 HydrophobicContact CG-CG 4.16Å; L19-I137 HydrophobicContact CD1-CD1 3.69Å
20A97.7Very high98.1Very high72 Ų7252.5 Ų52.560%0.59527%0.267SS*.G310 helixtrans-64-13.8175.200000113.8R18 L22 P23R18-A20 PolarHBondContact O-N 2.97Å; R18-A20 VanDerWaalsContact O-N 3.11Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-P23 WeakPolarHBondContact O-CD 3.44Å
21E98.6Very high98.1Very high46 Ų4656 Ų5622%0.21528%0.282CS..G310 helixtrans-82.6-11.2174.2-55.2171.9-153.800112.4R13 R18 L19 E24 V25 F175R13-E21 WeakPolarHBondContact CD-OE2 3.38Å; R13-E21 IonicContact CZ-OE2 3.43Å; R13-E21 IonicContact NE-OE2 3.31Å; R13-E21 IonicContact NH1-OE2 3.34Å; R13-E21 PolarHBondContact NH1-OE2 3.32Å; R18-E21 IonicContact CZ-OE1 3.46Å; R18-E21 VanDerWaalsContact CZ-OE1 3.28Å; R18-E21 IonicContact CZ-OE2 3.58Å; R18-E21 IonicContact NE-OE1 2.94Å; R18-E21 PolarHBondContact NE-OE1 3.39Å; R18-E21 IonicContact NE-OE2 3.01Å; R18-E21 VanDerWaalsContact NH2-CD 3.29Å; R18-E21 IonicContact NH2-OE1 3.66Å; R18-E21 PolarHBondContact NH2-OE1 2.98Å; R18-E21 IonicContact NH2-OE2 3.72Å; R18-E21 PolarHBondContact NH2-OE2 3.31Å; R18-E21 WeakPolarHBondContact O-CB 3.02Å; R18-E21 WeakPolarHBondContact O-CG 3.36Å; R18-E21 PolarHBondContact O-N 3.37Å; L19-E21 PolarHBondContact O-N 3.48Å; L19-E21 VanDerWaalsContact O-N 3.16Å; E21-E24 PolarHBondContact O-N 2.86Å; E21-V25 PolarHBondContact O-N 2.98Å; E21-F175 HydrophobicContact CB-CE1 4.09Å; E21-F175 HydrophobicContact CB-CZ 4.36Å
22L98.8Very high98.1Very high0 Ų055.7 Ų55.70%028%0.278CS..Hα-helixtrans-56.4-43.4-177.617966.7000113.7L19 A20 E24 V25 L26 V51 Q54 L93 V135 I137 F175L19-L22 HydrophobicContact CD1-CB 4.23Å; L19-L22 HydrophobicContact CD1-CD2 4Å; L19-L22 WeakPolarHBondContact O-CB 3.32Å; L19-L22 PolarHBondContact O-N 3.47Å; A20-L22 VanDerWaalsContact C-N 3.34Å; L22-E24 PolarHBondContact O-N 3.1Å; L22-V25 PolarHBondContact O-N 3.14Å; L22-L26 HydrophobicContact CD1-CD1 3.91Å; L22-L26 HydrophobicContact CD1-CD2 4.37Å; L22-L26 HydrophobicContact CD1-CG 3.91Å; L22-L26 HydrophobicContact CD2-CD1 4.4Å; L22-L26 HydrophobicContact CG-CD1 3.83Å; L22-L26 HydrophobicContact CG-CG 4.25Å; L22-L26 WeakPolarHBondContact O-CG 3.25Å; L22-L26 PolarHBondContact O-N 3.02Å; L22-V51 HydrophobicContact CD2-CG1 4.26Å; L22-Q54 HydrophobicContact CD2-CB 4.18Å; L22-L93 HydrophobicContact CD1-CD1 4Å; L22-L93 HydrophobicContact CD1-CD2 4.35Å; L22-L93 HydrophobicContact CD2-CD2 4Å; L22-V135 HydrophobicContact CD1-CG1 4.2Å; L22-I137 HydrophobicContact CD2-CD1 4.29Å; L22-F175 HydrophobicContact CB-CZ 4.21Å; L22-F175 HydrophobicContact CD1-CE2 3.88Å; L22-F175 HydrophobicContact CD1-CZ 4.38Å
23P98.6Very high98.1Very high23 Ų2354.2 Ų54.215%0.14927%0.27CS..Hα-helixtrans-53.3-48174.1-31.840.1000114A20 V25 L26 N27 Q54 N58A20-P23 WeakPolarHBondContact O-CD 3.44Å; P23-V25 VanDerWaalsContact C-N 3.33Å; P23-V25 PolarHBondContact O-N 2.96Å; P23-L26 PolarHBondContact O-N 2.85Å; P23-N27 WeakPolarHBondContact O-CB 3.48Å; P23-N27 PolarHBondContact O-N 3.28Å; P23-N27 PolarHBondContact O-ND2 3.06Å; P23-N27 VanDerWaalsContact O-ND2 3.08Å; P23-N27 PolarHBondContact O-OD1 2.91Å; P23-Q54 HydrophobicContact CG-CB 4.29Å; P23-N58 HydrophobicContact CB-CB 3.8Å; P23-N58 HydrophobicContact CG-CB 4.17Å; P23-N58 PolarHBondContact O-ND2 2.94Å
24E98.2Very high98.2Very high120 Ų12052.3 Ų52.356%0.56126%0.263SS*.Hα-helixtrans-60.8-44179.5-176.2-166.5155.100111E21 L22 N27E21-E24 PolarHBondContact O-N 2.86Å; L22-E24 PolarHBondContact O-N 3.1Å; E24-N27 PolarHBondContact O-N 2.91Å
25V98.7Very high98.2Very high0 Ų049.2 Ų49.20%025%0.249CC..Hα-helixtrans-61.8-48.8178.1167.80000111.5E21 L22 P23 N27 Q28 Y29 V135 V173 F175E21-V25 PolarHBondContact O-N 2.98Å; L22-V25 PolarHBondContact O-N 3.14Å; P23-V25 VanDerWaalsContact C-N 3.33Å; P23-V25 PolarHBondContact O-N 2.96Å; V25-N27 VanDerWaalsContact C-N 3.3Å; V25-N27 PolarHBondContact O-N 2.92Å; V25-Q28 WeakPolarHBondContact O-CB 3.22Å; V25-Q28 PolarHBondContact O-N 3.5Å; V25-Y29 HydrophobicContact CG1-CE2 4.28Å; V25-Y29 VanDerWaalsContact O-CD2 3.31Å; V25-Y29 WeakPolarHBondContact O-CD2 3.42Å; V25-Y29 WeakPolarHBondContact O-CE2 3.37Å; V25-V135 HydrophobicContact CG1-CG1 3.99Å; V25-V135 HydrophobicContact CG1-CG2 3.8Å; V25-V173 HydrophobicContact CG1-CB 3.72Å; V25-V173 HydrophobicContact CG1-CG1 3.98Å; V25-V173 HydrophobicContact CG1-CG2 3.61Å; V25-V173 HydrophobicContact CG2-CG1 3.99Å; V25-V173 HydrophobicContact CG2-CG2 4.44Å; V25-F175 HydrophobicContact CB-CZ 4.43Å; V25-F175 HydrophobicContact CG1-CE2 4.45Å; V25-F175 HydrophobicContact CG2-CE2 4.28Å; V25-F175 HydrophobicContact CG2-CZ 3.91Å
26L98.8Very high98.2Very high1 Ų148.7 Ų48.71%0.00524%0.244CC..Hα-helixtrans-67.2-32.3-177.5-66.8173.1000112.5L22 P23 Q28 Y29 G30 V33 L55 V91 V135L22-L26 HydrophobicContact CD1-CD1 3.91Å; L22-L26 HydrophobicContact CD1-CD2 4.37Å; L22-L26 HydrophobicContact CD1-CG 3.91Å; L22-L26 HydrophobicContact CD2-CD1 4.4Å; L22-L26 HydrophobicContact CG-CD1 3.83Å; L22-L26 HydrophobicContact CG-CG 4.25Å; L22-L26 WeakPolarHBondContact O-CG 3.25Å; L22-L26 PolarHBondContact O-N 3.02Å; P23-L26 PolarHBondContact O-N 2.85Å; L26-Q28 PolarHBondContact O-N 3.48Å; L26-Q28 VanDerWaalsContact O-N 3.11Å; L26-Y29 PolarHBondContact O-N 2.92Å; L26-G30 PolarHBondContact O-N 3.41Å; L26-V33 HydrophobicContact CD1-CG2 4.4Å; L26-L55 HydrophobicContact CD1-CD2 3.33Å; L26-V91 HydrophobicContact CD2-CG1 3.95Å; L26-V91 HydrophobicContact CD2-CG2 4.19Å; L26-V135 HydrophobicContact CD2-CB 4.48Å; L26-V135 HydrophobicContact CD2-CG2 4.22Å
27N98.6Very high98.3Very high79 Ų7943.6 Ų43.642%0.42222%0.222SC..THydrogen-bonded Turntrans-62.9-16.7178.8-71.9-21.1000113.9P23 E24 V25 Y29 K31 N58P23-N27 WeakPolarHBondContact O-CB 3.48Å; P23-N27 PolarHBondContact O-N 3.28Å; P23-N27 PolarHBondContact O-ND2 3.06Å; P23-N27 VanDerWaalsContact O-ND2 3.08Å; P23-N27 PolarHBondContact O-OD1 2.91Å; E24-N27 PolarHBondContact O-N 2.91Å; V25-N27 VanDerWaalsContact C-N 3.3Å; V25-N27 PolarHBondContact O-N 2.92Å; N27-Y29 VanDerWaalsContact C-N 3.28Å; N27-K31 PolarHBondContact OD1-NZ 3.17Å; N27-N58 PolarHBondContact ND2-OD1 3.44Å; N27-N58 PolarHBondContact OD1-ND2 2.75Å; N27-N58 PolarHBondContact OD1-OD1 3.42Å; N27-N58 VanDerWaalsContact OD1-OD1 3.13Å
28Q98.3Very high98.4Very high113 Ų11338 Ų3853%0.52819%0.194SC..THydrogen-bonded Turntrans-73.8-19.8173.1-59.1174.843.400112.9V25 L26V25-Q28 WeakPolarHBondContact O-CB 3.22Å; V25-Q28 PolarHBondContact O-N 3.5Å; L26-Q28 PolarHBondContact O-N 3.48Å; L26-Q28 VanDerWaalsContact O-N 3.11Å
29Y98.5Very high98.1Very high68 Ų6838.5 Ų38.527%0.26722%0.221SC..THydrogen-bonded Turntrans-116.8-40.7-170.8-53.8-65.6000113.3V25 L26 N27 V91 P133 V135 K172V25-Y29 HydrophobicContact CG1-CE2 4.28Å; V25-Y29 VanDerWaalsContact O-CD2 3.31Å; V25-Y29 WeakPolarHBondContact O-CD2 3.42Å; V25-Y29 WeakPolarHBondContact O-CE2 3.37Å; L26-Y29 PolarHBondContact O-N 2.92Å; N27-Y29 VanDerWaalsContact C-N 3.28Å; Y29-V91 HydrophobicContact CD2-CG2 4.05Å; Y29-V91 HydrophobicContact CG-CG2 4.18Å; Y29-P133 HydrophobicContact CD1-CB 3.45Å; Y29-P133 VanDerWaalsContact CD1-CB 3.45Å; Y29-P133 HydrophobicContact CD1-CG 3.73Å; Y29-P133 HydrophobicContact CE1-CB 3.86Å; Y29-P133 HydrophobicContact CG-CB 3.84Å; Y29-P133 HydrophobicContact CG-CG 3.89Å; Y29-V135 HydrophobicContact CD2-CG2 4.24Å; Y29-V135 HydrophobicContact CE2-CG2 3.99Å; Y29-K172 HydrophobicContact CE1-CB 4.28Å; Y29-K172 HydrophobicContact CE1-CG 4.16Å; Y29-K172 WeakPolarHBondContact OH-CB 3.39Å
30G98.1Very high97.7Very high16 Ų1637.6 Ų37.617%0.16522%0.219CC..  trans157.9-170.8177.100000114.4L26L26-G30 PolarHBondContact O-N 3.41Å
31K98.5Very high97.5Very high84 Ų8437.2 Ų37.237%0.36521%0.212SC..SBendtrans-108.2-23.8-174.3-69.5-61.2-171.1-178.80113.4N27 N58 N60 E61 D90N27-K31 PolarHBondContact OD1-NZ 3.17Å; K31-N58 PolarHBondContact NZ-O 3.23Å; K31-N58 PolarHBondContact NZ-OD1 3.13Å; K31-N60 WeakPolarHBondContact CA-ND2 3.49Å; K31-N60 CarbonylContact O-C 3.59Å; K31-N60 VanDerWaalsContact O-CA 3.27Å; K31-N60 WeakPolarHBondContact O-CA 3.49Å; K31-N60 WeakPolarHBondContact O-CB 3.49Å; K31-N60 PolarHBondContact O-ND2 3.01Å; K31-E61 PolarHBondContact O-N 2.87Å; K31-D90 PolarHBondContact N-OD2 2.87Å
32K98.9Very high97.4Very high55 Ų5535 Ų3524%0.23920%0.202CC..EExtended strand (participates in β ladder)trans-87.5110176.7-70.2-176.4161.1-165.70110.6E61 F63 E87 N88 D90 V91K32-E61 WeakPolarHBondContact CA-O 3.28Å; K32-E61 WeakPolarHBondContact CE-OE2 3.4Å; K32-E61 HydrophobicContact CG-CB 4.2Å; K32-F63 HydrophobicContact CB-CE2 4.22Å; K32-F63 HydrophobicContact CD-CE2 4.47Å; K32-F63 HydrophobicContact CG-CE2 4.32Å; K32-E87 WeakPolarHBondContact CD-O 3.43Å; K32-E87 PolarHBondContact NZ-O 2.97Å; K32-N88 WeakPolarHBondContact CD-O 3.33Å; K32-D90 WeakPolarHBondContact CB-OD2 3.22Å; K32-D90 PolarHBondContact N-OD2 2.88Å; K32-D90 PolarHBondContact O-N 2.73Å; K32-V91 PolarHBondContact O-N 3.34Å
33V98.9Very high97.3Very high0 Ų039.5 Ų39.50%022%0.221CC..EExtended strand (participates in β ladder)trans-112.5128.2-173.2-175.50000109.9L26 L55 N60 E61 V62 F63 V91 L93L26-V33 HydrophobicContact CD1-CG2 4.4Å; V33-L55 HydrophobicContact CG1-CD2 4.39Å; V33-L55 HydrophobicContact CG2-CD2 4.2Å; V33-N60 HydrophobicContact CG2-CB 4.05Å; V33-N60 WeakPolarHBondContact CG2-ND2 3.47Å; V33-E61 PolarHBondContact N-O 3.37Å; V33-V62 WeakPolarHBondContact O-CA 3.29Å; V33-F63 PolarHBondContact O-N 3.19Å; V33-V91 WeakPolarHBondContact CA-O 3.24Å; V33-V91 HydrophobicContact CB-CG1 4.43Å; V33-V91 HydrophobicContact CG1-CG1 4.47Å; V33-V91 HydrophobicContact CG2-CG1 3.8Å; V33-L93 HydrophobicContact CG1-CB 3.7Å
34L98.9Very high97.1Very high0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-90.3111.4160.6-179.868.6000108.7V36 F63 L65 I83 C84 V89 V91 I92 L93 V107L34-V36 HydrophobicContact CD2-CG2 3.93Å; L34-V36 HydrophobicContact CG-CG2 3.97Å; L34-F63 CarbonylContact C-O 3.56Å; L34-F63 WeakPolarHBondContact CA-O 3.47Å; L34-F63 HydrophobicContact CD1-CB 3.94Å; L34-L65 HydrophobicContact CD1-CB 4.05Å; L34-L65 HydrophobicContact CD2-CB 4.35Å; L34-L65 HydrophobicContact CG-CB 4.41Å; L34-I83 HydrophobicContact CD1-CB 4.5Å; L34-I83 HydrophobicContact CD1-CG2 3.89Å; L34-C84 WeakPolarHBondContact CD2-SG 3.46Å; L34-V89 HydrophobicContact CB-CG1 3.85Å; L34-V89 HydrophobicContact CB-CG2 4.2Å; L34-V91 PolarHBondContact N-O 3.34Å; L34-I92 HydrophobicContact CB-CG1 4.41Å; L34-I92 HydrophobicContact CD2-CD1 4.5Å; L34-I92 WeakPolarHBondContact O-CA 3.35Å; L34-L93 PolarHBondContact O-N 2.97Å; L34-V107 HydrophobicContact CD2-CG1 3.99Å
35I98.9Very high97Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-83.3125.6168.5-169.5177000109.7Y37 V51 M52 V62 F63 E64 L65 L93 V95I35-Y37 HydrophobicContact CG1-CD1 4.26Å; I35-Y37 HydrophobicContact CG2-CD1 4.4Å; I35-Y37 HydrophobicContact CG2-CE1 4.31Å; I35-V51 HydrophobicContact CD1-CG1 3.86Å; I35-M52 HydrophobicContact CD1-SD 4.39Å; I35-V62 HydrophobicContact CB-CG1 4.48Å; I35-V62 HydrophobicContact CG2-CG1 3.85Å; I35-F63 WeakPolarHBondContact CG2-O 3.47Å; I35-F63 PolarHBondContact N-O 3.41Å; I35-E64 HydrophobicContact CG2-CB 4.11Å; I35-E64 HydrophobicContact CG2-CG 3.61Å; I35-L65 PolarHBondContact O-N 3.45Å; I35-L93 CarbonylContact C-O 3.52Å; I35-L93 VanDerWaalsContact CA-O 3.32Å; I35-L93 WeakPolarHBondContact CA-O 3.32Å; I35-V95 HydrophobicContact CD1-CG2 4.05Å; I35-V95 HydrophobicContact CG1-CG2 4.04Å
36V98.9Very high96.9Very high0 Ų045.6 Ų45.60%025%0.252CS..EExtended strand (participates in β ladder)trans-113.1125.8179.9-175.30000108.9L34 L65 V68 I92 L93 V95 T100 A104L34-V36 HydrophobicContact CD2-CG2 3.93Å; L34-V36 HydrophobicContact CG-CG2 3.97Å; V36-L65 WeakPolarHBondContact CA-O 3.42Å; V36-L65 HydrophobicContact CG1-CB 4.47Å; V36-L65 HydrophobicContact CG1-CD2 4.03Å; V36-L65 HydrophobicContact CG1-CG 4.45Å; V36-L65 HydrophobicContact CG2-CB 4.2Å; V36-L65 HydrophobicContact CG2-CD2 4.23Å; V36-V68 HydrophobicContact CG1-CG2 3.6Å; V36-I92 HydrophobicContact CG2-CG2 3.58Å; V36-L93 PolarHBondContact N-O 3.34Å; V36-V95 PolarHBondContact O-N 3.06Å; V36-T100 HydrophobicContact CB-CG2 4.41Å; V36-T100 HydrophobicContact CG1-CG2 3.99Å; V36-T100 WeakPolarHBondContact O-CG2 3.27Å; V36-A104 HydrophobicContact CB-CB 4.23Å; V36-A104 HydrophobicContact CG1-CB 4.29Å; V36-A104 HydrophobicContact CG2-CB 4.18Å
37Y98.7Very high96.8Very high11 Ų1145.9 Ų45.94%0.04325%0.253CS..EExtended strand (participates in β ladder)trans-151.3159.2-179.563.4-87.1000113.4I35 I42 K43 Y48 E64 L65 A66 G67 V68 V95I35-Y37 HydrophobicContact CG1-CD1 4.26Å; I35-Y37 HydrophobicContact CG2-CD1 4.4Å; I35-Y37 HydrophobicContact CG2-CE1 4.31Å; Y37-I42 VanDerWaalsContact CB-CD1 3.45Å; Y37-I42 HydrophobicContact CD1-CD1 4.37Å; Y37-I42 HydrophobicContact CD2-CD1 4.04Å; Y37-I42 HydrophobicContact CD2-CG1 4.26Å; Y37-I42 HydrophobicContact CG-CD1 3.73Å; Y37-I42 HydrophobicContact CG-CG1 4.41Å; Y37-K43 WeakPolarHBondContact OH-CE 3.41Å; Y37-K43 PolarHBondContact OH-NZ 2.95Å; Y37-Y48 HydrophobicContact CE1-CD2 4.46Å; Y37-Y48 AromaticContact CE1-CE2 3.96Å; Y37-Y48 HydrophobicContact CE1-CE2 3.96Å; Y37-Y48 AromaticContact CZ-CE2 4Å; Y37-E64 HydrophobicContact CE1-CB 4.27Å; Y37-E64 HydrophobicContact CE1-CG 4.46Å; Y37-E64 WeakPolarHBondContact CE1-OE2 3.5Å; Y37-E64 VanDerWaalsContact CZ-OE2 3.27Å; Y37-E64 PolarHBondContact OH-OE2 3.11Å; Y37-L65 PolarHBondContact N-O 2.96Å; Y37-A66 HydrophobicContact CD2-CB 4.25Å; Y37-A66 HydrophobicContact CE1-CB 3.89Å; Y37-A66 HydrophobicContact CE2-CB 3.52Å; Y37-A66 CarbonylContact O-C 3.58Å; Y37-A66 WeakPolarHBondContact OH-CB 3.4Å; Y37-G67 PolarHBondContact O-N 3.42Å; Y37-V68 PolarHBondContact O-N 2.8Å; Y37-V68 VanDerWaalsContact O-N 3.12Å; Y37-V95 WeakPolarHBondContact CB-O 3.49Å
38G96.7Very high96.9Very high9 Ų943.3 Ų43.39%0.09324%0.238CC..EExtended strand (participates in β ladder)trans-78.2-154.8-177.400000114.4G40 G67 V68G38-G40 PolarHBondContact O-N 3.29Å; G38-G67 PolarHBondContact O-N 2.92Å; G38-V68 WeakPolarHBondContact CA-O 3.28Å
39G90.4Very high96.9Very high82 Ų8243 Ų4385%0.84524%0.24SC*.SBendtrans-68.39.9-175.100000117.6
40G89.1Confident96.9Very high11 Ų1146 Ų4611%0.11325%0.254CS..SBendtrans11210.9171.200000116.9G38 I42 K43 K44G38-G40 PolarHBondContact O-N 3.29Å; G40-I42 PolarHBondContact O-N 3.4Å; G40-K43 WeakPolarHBondContact O-CB 3.42Å; G40-K43 PolarHBondContact O-N 3.05Å; G40-K43 VanDerWaalsContact O-N 3.08Å; G40-K44 PolarHBondContact O-N 3.45Å; G40-K44 VanDerWaalsContact O-N 3.15Å
41S93.6Very high96.9Very high63 Ų6345.3 Ų45.344%0.44125%0.247SC..Hα-helixtrans-53-43.9172.3520000112.1K43 K44 I45S41-K43 PolarHBondContact O-N 2.91Å; S41-K44 WeakPolarHBondContact O-CB 3.43Å; S41-K44 PolarHBondContact O-N 3.47Å; S41-K44 VanDerWaalsContact O-N 3.11Å; S41-I45 PolarHBondContact O-N 3.34Å
42I97.4Very high96.9Very high1 Ų143.6 Ų43.61%0.00524%0.241CC..Hα-helixtrans-64.3-27.1179.966.7161.3000113.1Y37 G40 L47 Y48 V95 T139Y37-I42 VanDerWaalsContact CB-CD1 3.45Å; Y37-I42 HydrophobicContact CD1-CD1 4.37Å; Y37-I42 HydrophobicContact CD2-CD1 4.04Å; Y37-I42 HydrophobicContact CD2-CG1 4.26Å; Y37-I42 HydrophobicContact CG-CD1 3.73Å; Y37-I42 HydrophobicContact CG-CG1 4.41Å; G40-I42 PolarHBondContact O-N 3.4Å; I42-L47 HydrophobicContact CB-CB 4.38Å; I42-L47 HydrophobicContact CG2-CD2 4.28Å; I42-L47 PolarHBondContact O-N 3.13Å; I42-Y48 HydrophobicContact CD1-CD2 3.96Å; I42-Y48 PolarHBondContact O-N 2.95Å; I42-V95 HydrophobicContact CB-CG1 4.44Å; I42-V95 HydrophobicContact CD1-CB 4.02Å; I42-V95 HydrophobicContact CD1-CG1 3.92Å; I42-V95 HydrophobicContact CG2-CG1 3.99Å; I42-T139 HydrophobicContact CG2-CG2 4.13Å
43K97.2Very high96.9Very high93 Ų9345.6 Ų45.640%0.40425%0.251SS..Hα-helixtrans-74.2-44.3173.6-67-172.4177-1740110.4Y37 G40 S41 I45 G46 Y48Y37-K43 WeakPolarHBondContact OH-CE 3.41Å; Y37-K43 PolarHBondContact OH-NZ 2.95Å; G40-K43 WeakPolarHBondContact O-CB 3.42Å; G40-K43 PolarHBondContact O-N 3.05Å; G40-K43 VanDerWaalsContact O-N 3.08Å; S41-K43 PolarHBondContact O-N 2.91Å; K43-I45 PolarHBondContact O-N 3.45Å; K43-G46 PolarHBondContact O-N 2.71Å; K43-G46 VanDerWaalsContact O-N 3.09Å; K43-Y48 HydrophobicContact CD-CD1 4.48Å; K43-Y48 HydrophobicContact CD-CG 4.37Å; K43-Y48 HydrophobicContact CG-CD1 4.07Å; K43-Y48 HydrophobicContact CG-CD2 4.08Å; K43-Y48 HydrophobicContact CG-CG 3.67Å
44K94.7Very high96.9Very high188 Ų18847.9 Ų47.982%0.81726%0.261SS*.Hα-helixtrans-59-33.7179.2-66.8179.3-177.8179.60113.3G40 S41G40-K44 PolarHBondContact O-N 3.45Å; G40-K44 VanDerWaalsContact O-N 3.15Å; S41-K44 WeakPolarHBondContact O-CB 3.43Å; S41-K44 PolarHBondContact O-N 3.47Å; S41-K44 VanDerWaalsContact O-N 3.11Å
45I94.4Very high96.9Very high62 Ų6247.9 Ų47.932%0.31826%0.261SS..THydrogen-bonded Turntrans-93.53.1-179.968175.9000113.9S41 K43 L47 S183S41-I45 PolarHBondContact O-N 3.34Å; K43-I45 PolarHBondContact O-N 3.45Å; I45-L47 HydrophobicContact CD1-CB 3.86Å; I45-L47 HydrophobicContact CD1-CD2 4.28Å; I45-L47 HydrophobicContact CG1-CB 3.74Å; I45-L47 PolarHBondContact O-N 3.08Å; I45-S183 VanDerWaalsContact CG2-CB 3.5Å; I45-S183 WeakPolarHBondContact CG2-OG 3.29Å
46G97Very high96.8Very high21 Ų2155.1 Ų55.122%0.21629%0.293CS..THydrogen-bonded Turntrans71.35.4-177.700000115.1K43 Y48 D49 K50K43-G46 PolarHBondContact O-N 2.71Å; K43-G46 VanDerWaalsContact O-N 3.09Å; G46-Y48 VanDerWaalsContact C-N 3.33Å; G46-D49 PolarHBondContact O-N 2.76Å; G46-K50 WeakPolarHBondContact O-CG 3.5Å; G46-K50 PolarHBondContact O-N 3.43Å
47L98.2Very high96.7Very high7 Ų759.9 Ų59.94%0.03732%0.322CS..Hα-helixtrans-66.2-37.8176.6178.561000111.1L19 I42 I45 D49 K50 V51 V95 I137 T139L19-L47 HydrophobicContact CD2-CD1 4.17Å; I42-L47 HydrophobicContact CB-CB 4.38Å; I42-L47 HydrophobicContact CG2-CD2 4.28Å; I42-L47 PolarHBondContact O-N 3.13Å; I45-L47 HydrophobicContact CD1-CB 3.86Å; I45-L47 HydrophobicContact CD1-CD2 4.28Å; I45-L47 HydrophobicContact CG1-CB 3.74Å; I45-L47 PolarHBondContact O-N 3.08Å; L47-D49 PolarHBondContact O-N 3.44Å; L47-K50 PolarHBondContact O-N 2.74Å; L47-V51 HydrophobicContact CD1-CG2 4.16Å; L47-V51 HydrophobicContact CG-CG2 4.35Å; L47-V51 WeakPolarHBondContact O-CG2 3.4Å; L47-V51 PolarHBondContact O-N 3.47Å; L47-V95 HydrophobicContact CD2-CG1 3.8Å; L47-V95 HydrophobicContact CG-CG1 4.2Å; L47-I137 HydrophobicContact CD2-CG2 4.26Å; L47-T139 HydrophobicContact CD2-CG2 3.71Å
48Y98.6Very high96.7Very high26 Ų2660.5 Ų60.510%0.10233%0.326CS..Hα-helixtrans-55.1-51.4175.5177.4-92.8000111.4Y37 I42 K43 G46 K50 V51 M52 E64Y37-Y48 HydrophobicContact CE1-CD2 4.46Å; Y37-Y48 AromaticContact CE1-CE2 3.96Å; Y37-Y48 HydrophobicContact CE1-CE2 3.96Å; Y37-Y48 AromaticContact CZ-CE2 4Å; I42-Y48 HydrophobicContact CD1-CD2 3.96Å; I42-Y48 PolarHBondContact O-N 2.95Å; K43-Y48 HydrophobicContact CD-CD1 4.48Å; K43-Y48 HydrophobicContact CD-CG 4.37Å; K43-Y48 HydrophobicContact CG-CD1 4.07Å; K43-Y48 HydrophobicContact CG-CD2 4.08Å; K43-Y48 HydrophobicContact CG-CG 3.67Å; G46-Y48 VanDerWaalsContact C-N 3.33Å; Y48-K50 VanDerWaalsContact C-N 3.32Å; Y48-K50 PolarHBondContact O-N 2.84Å; Y48-V51 PolarHBondContact O-N 3.07Å; Y48-V51 VanDerWaalsContact O-N 3.17Å; Y48-M52 HydrophobicContact CD1-CG 4.01Å; Y48-M52 HydrophobicContact CD2-CG 4.41Å; Y48-M52 HydrophobicContact CE1-CG 3.58Å; Y48-M52 HydrophobicContact CE2-CG 4.03Å; Y48-M52 HydrophobicContact CE2-SD 4.24Å; Y48-M52 HydrophobicContact CG-CG 4.39Å; Y48-M52 WeakPolarHBondContact O-CG 3.37Å; Y48-M52 PolarHBondContact O-N 3.48Å; Y48-E64 PolarHBondContact OH-OE1 2.65Å; Y48-E64 VanDerWaalsContact OH-OE1 3.13Å; Y48-E64 PolarHBondContact OH-OE2 3.01Å; Y48-E64 VanDerWaalsContact OH-OE2 3.13Å
49D98.5Very high96.8Very high105 Ų10562.6 Ų62.656%0.56135%0.347SS*.Hα-helixtrans-64-39.7-178-61.2-34.8000111.4G46 L47 V51 M52 E53G46-D49 PolarHBondContact O-N 2.76Å; L47-D49 PolarHBondContact O-N 3.44Å; D49-V51 PolarHBondContact O-N 3.41Å; D49-M52 PolarHBondContact O-N 3.21Å; D49-E53 WeakPolarHBondContact O-CB 3.44Å; D49-E53 PolarHBondContact O-N 2.93Å
50K98.6Very high97.2Very high133 Ų13359.5 Ų59.558%0.57831%0.312SS*.Hα-helixtrans-60.6-44.6174.3-68.2176.7-177.2-177.40111.9L19 G46 L47 Y48 E53 Q54L19-K50 HydrophobicContact CD2-CB 3.69Å; G46-K50 WeakPolarHBondContact O-CG 3.5Å; G46-K50 PolarHBondContact O-N 3.43Å; L47-K50 PolarHBondContact O-N 2.74Å; Y48-K50 VanDerWaalsContact C-N 3.32Å; Y48-K50 PolarHBondContact O-N 2.84Å; K50-E53 PolarHBondContact O-N 3.13Å; K50-Q54 WeakPolarHBondContact O-CG 3.1Å; K50-Q54 PolarHBondContact O-N 2.86Å; K50-Q54 VanDerWaalsContact O-N 3.17Å
51V98.7Very high97.7Very high0 Ų063.5 Ų63.50%033%0.327CS..Hα-helixtrans-64.4-47.3177.4170.50000110.6L19 L22 I35 L47 Y48 D49 E53 Q54 L55 L93 V95 I137L19-V51 HydrophobicContact CD1-CG2 4.18Å; L19-V51 HydrophobicContact CD2-CG2 4.31Å; L22-V51 HydrophobicContact CD2-CG1 4.26Å; I35-V51 HydrophobicContact CD1-CG1 3.86Å; L47-V51 HydrophobicContact CD1-CG2 4.16Å; L47-V51 HydrophobicContact CG-CG2 4.35Å; L47-V51 WeakPolarHBondContact O-CG2 3.4Å; L47-V51 PolarHBondContact O-N 3.47Å; Y48-V51 PolarHBondContact O-N 3.07Å; Y48-V51 VanDerWaalsContact O-N 3.17Å; D49-V51 PolarHBondContact O-N 3.41Å; V51-E53 VanDerWaalsContact C-N 3.27Å; V51-E53 PolarHBondContact O-N 3.37Å; V51-Q54 WeakPolarHBondContact O-CB 3.34Å; V51-Q54 PolarHBondContact O-N 3.47Å; V51-Q54 VanDerWaalsContact O-N 3.14Å; V51-L55 HydrophobicContact CG1-CD1 3.94Å; V51-L55 HydrophobicContact CG1-CG 4.34Å; V51-L55 WeakPolarHBondContact O-CG 3.43Å; V51-L55 PolarHBondContact O-N 3.14Å; V51-L93 HydrophobicContact CG1-CD2 3.76Å; V51-V95 HydrophobicContact CG1-CG2 4.45Å; V51-V95 HydrophobicContact CG2-CG1 4.49Å; V51-V95 HydrophobicContact CG2-CG2 4.49Å; V51-I137 HydrophobicContact CG2-CD1 3.7Å
52M98.7Very high97.9Very high48 Ų4862.5 Ų62.524%0.23632%0.319CS..Hα-helixtrans-61.7-35.7179.2-68.2-54.6-66.400112.2I35 Y48 D49 L55 K56 V62I35-M52 HydrophobicContact CD1-SD 4.39Å; Y48-M52 HydrophobicContact CD1-CG 4.01Å; Y48-M52 HydrophobicContact CD2-CG 4.41Å; Y48-M52 HydrophobicContact CE1-CG 3.58Å; Y48-M52 HydrophobicContact CE2-CG 4.03Å; Y48-M52 HydrophobicContact CE2-SD 4.24Å; Y48-M52 HydrophobicContact CG-CG 4.39Å; Y48-M52 WeakPolarHBondContact O-CG 3.37Å; Y48-M52 PolarHBondContact O-N 3.48Å; D49-M52 PolarHBondContact O-N 3.21Å; M52-L55 PolarHBondContact O-N 3.38Å; M52-L55 HydrophobicContact SD-CD1 3.97Å; M52-K56 VanDerWaalsContact O-CB 3.28Å; M52-K56 WeakPolarHBondContact O-CB 3.39Å; M52-K56 PolarHBondContact O-N 3.16Å; M52-V62 HydrophobicContact CE-CB 4.27Å; M52-V62 HydrophobicContact CE-CG1 3.98Å; M52-V62 HydrophobicContact CE-CG2 4.34Å; M52-V62 HydrophobicContact SD-CG1 4.23Å
53E98.7Very high98Very high98 Ų9864 Ų6446%0.45833%0.325SS..Hα-helixtrans-67-39.5175.1-173.460.4-167.200112.2D49 K50 V51 T57D49-E53 WeakPolarHBondContact O-CB 3.44Å; D49-E53 PolarHBondContact O-N 2.93Å; K50-E53 PolarHBondContact O-N 3.13Å; V51-E53 VanDerWaalsContact C-N 3.27Å; V51-E53 PolarHBondContact O-N 3.37Å; E53-T57 VanDerWaalsContact O-CB 3.28Å; E53-T57 WeakPolarHBondContact O-CB 3.47Å; E53-T57 PolarHBondContact O-N 2.93Å; E53-T57 PolarHBondContact O-OG1 3.25Å
54Q98.6Very high98.1Very high47 Ų4763.6 Ų63.622%0.2232%0.324CS..Hα-helixtrans-61.7-46172.4-65.7-55.4-53.900111.4L19 L22 P23 K50 V51 T57 N58L19-Q54 HydrophobicContact CG-CG 4.16Å; L22-Q54 HydrophobicContact CD2-CB 4.18Å; P23-Q54 HydrophobicContact CG-CB 4.29Å; K50-Q54 WeakPolarHBondContact O-CG 3.1Å; K50-Q54 PolarHBondContact O-N 2.86Å; K50-Q54 VanDerWaalsContact O-N 3.17Å; V51-Q54 WeakPolarHBondContact O-CB 3.34Å; V51-Q54 PolarHBondContact O-N 3.47Å; V51-Q54 VanDerWaalsContact O-N 3.14Å; Q54-T57 PolarHBondContact O-N 3.47Å; Q54-N58 VanDerWaalsContact O-CB 3.29Å; Q54-N58 WeakPolarHBondContact O-CB 3.03Å; Q54-N58 PolarHBondContact O-N 3.23Å
55L98.8Very high98.2Very high0 Ų054.9 Ų54.90%029%0.287CS..Hα-helixtrans-62.1-45.5179-68.3173.5000111.7L26 V33 V51 M52 N58 G59 N60 V62 L93L26-L55 HydrophobicContact CD1-CD2 3.33Å; V33-L55 HydrophobicContact CG1-CD2 4.39Å; V33-L55 HydrophobicContact CG2-CD2 4.2Å; V51-L55 HydrophobicContact CG1-CD1 3.94Å; V51-L55 HydrophobicContact CG1-CG 4.34Å; V51-L55 WeakPolarHBondContact O-CG 3.43Å; V51-L55 PolarHBondContact O-N 3.14Å; M52-L55 PolarHBondContact O-N 3.38Å; M52-L55 HydrophobicContact SD-CD1 3.97Å; L55-N58 PolarHBondContact O-N 2.83Å; L55-G59 PolarHBondContact O-N 3.43Å; L55-G59 VanDerWaalsContact O-N 3.17Å; L55-N60 HydrophobicContact CB-CB 4.13Å; L55-N60 HydrophobicContact CD2-CB 4.02Å; L55-N60 WeakPolarHBondContact O-CB 3.47Å; L55-N60 PolarHBondContact O-N 3.45Å; L55-N60 PolarHBondContact O-OD1 2.84Å; L55-V62 HydrophobicContact CB-CG2 3.94Å; L55-V62 HydrophobicContact CD1-CG1 4.23Å; L55-V62 HydrophobicContact CD1-CG2 3.84Å; L55-V62 HydrophobicContact CG-CG2 4.39Å; L55-L93 HydrophobicContact CD1-CD2 4.34Å; L55-L93 HydrophobicContact CD2-CD2 4.31Å
56K98.2Very high98.4Very high153 Ų15353.9 Ų53.967%0.66529%0.288SS*.Hα-helixtrans-62.3-47.8177.1-179.1-174.5173-166.10111.6M52 N58 G59M52-K56 VanDerWaalsContact O-CB 3.28Å; M52-K56 WeakPolarHBondContact O-CB 3.39Å; M52-K56 PolarHBondContact O-N 3.16Å; K56-N58 PolarHBondContact O-N 2.83Å; K56-G59 PolarHBondContact O-N 2.72Å
57T96.7Very high98.4Very high100 Ų10054.5 Ų54.561%0.61330%0.295SS*.Hα-helixtrans-61-36.3178.9-60.80000111.5E53 Q54 G59E53-T57 VanDerWaalsContact O-CB 3.28Å; E53-T57 WeakPolarHBondContact O-CB 3.47Å; E53-T57 PolarHBondContact O-N 2.93Å; E53-T57 PolarHBondContact O-OG1 3.25Å; Q54-T57 PolarHBondContact O-N 3.47Å; T57-G59 VanDerWaalsContact C-N 3.25Å; T57-G59 PolarHBondContact O-N 2.88Å
58N98.4Very high98.4Very high24 Ų2454.5 Ų54.513%0.12830%0.295CS..THydrogen-bonded Turntrans-80.9-0.8177.3-166.344.4000113.7P23 N27 K31 Q54 L55 K56 N60P23-N58 HydrophobicContact CB-CB 3.8Å; P23-N58 HydrophobicContact CG-CB 4.17Å; P23-N58 PolarHBondContact O-ND2 2.94Å; N27-N58 PolarHBondContact ND2-OD1 3.44Å; N27-N58 PolarHBondContact OD1-ND2 2.75Å; N27-N58 PolarHBondContact OD1-OD1 3.42Å; N27-N58 VanDerWaalsContact OD1-OD1 3.13Å; K31-N58 PolarHBondContact NZ-O 3.23Å; K31-N58 PolarHBondContact NZ-OD1 3.13Å; Q54-N58 VanDerWaalsContact O-CB 3.29Å; Q54-N58 WeakPolarHBondContact O-CB 3.03Å; Q54-N58 PolarHBondContact O-N 3.23Å; L55-N58 PolarHBondContact O-N 2.83Å; K56-N58 PolarHBondContact O-N 2.83Å; N58-N60 VanDerWaalsContact C-N 3.34Å; N58-N60 WeakPolarHBondContact CB-OD1 3.37Å; N58-N60 PolarHBondContact ND2-OD1 3.05Å; N58-N60 PolarHBondContact O-N 3.28Å
59G98.4Very high98.4Very high52 Ų5254.9 Ų54.954%0.53630%0.297SS..THydrogen-bonded Turntrans65.834.1-17900000113.5L55 K56 T57L55-G59 PolarHBondContact O-N 3.43Å; L55-G59 VanDerWaalsContact O-N 3.17Å; K56-G59 PolarHBondContact O-N 2.72Å; T57-G59 VanDerWaalsContact C-N 3.25Å; T57-G59 PolarHBondContact O-N 2.88Å
60N98.8Very high98Very high17 Ų1754.8 Ų54.89%0.09130%0.303CS..  trans-76140.4173.3-71.4110.6000111.1K31 V33 L55 N58 V62K31-N60 WeakPolarHBondContact CA-ND2 3.49Å; K31-N60 CarbonylContact O-C 3.59Å; K31-N60 VanDerWaalsContact O-CA 3.27Å; K31-N60 WeakPolarHBondContact O-CA 3.49Å; K31-N60 WeakPolarHBondContact O-CB 3.49Å; K31-N60 PolarHBondContact O-ND2 3.01Å; V33-N60 HydrophobicContact CG2-CB 4.05Å; V33-N60 WeakPolarHBondContact CG2-ND2 3.47Å; L55-N60 HydrophobicContact CB-CB 4.13Å; L55-N60 HydrophobicContact CD2-CB 4.02Å; L55-N60 WeakPolarHBondContact O-CB 3.47Å; L55-N60 PolarHBondContact O-N 3.45Å; L55-N60 PolarHBondContact O-OD1 2.84Å; N58-N60 VanDerWaalsContact C-N 3.34Å; N58-N60 WeakPolarHBondContact CB-OD1 3.37Å; N58-N60 PolarHBondContact ND2-OD1 3.05Å; N58-N60 PolarHBondContact O-N 3.28Å; N60-V62 HydrophobicContact CB-CG2 4.27Å
61E98.8Very high97.8Very high96 Ų9649 Ų4945%0.44928%0.278SS..EExtended strand (participates in β ladder)trans-87.6125.6163.6-175.8178.1174.700107.7K31 K32 V33 F63K31-E61 PolarHBondContact O-N 2.87Å; K32-E61 WeakPolarHBondContact CA-O 3.28Å; K32-E61 WeakPolarHBondContact CE-OE2 3.4Å; K32-E61 HydrophobicContact CG-CB 4.2Å; V33-E61 PolarHBondContact N-O 3.37Å; E61-F63 HydrophobicContact CG-CE2 4.06Å; E61-F63 HydrophobicContact CG-CZ 3.95Å; E61-F63 WeakPolarHBondContact OE1-CZ 3.3Å
62V98.9Very high97.7Very high42 Ų4249.3 Ų49.326%0.25528%0.28SS..EExtended strand (participates in β ladder)trans-116.9129.4-167.3-174.50000111V33 I35 M52 L55 N60V33-V62 WeakPolarHBondContact O-CA 3.29Å; I35-V62 HydrophobicContact CB-CG1 4.48Å; I35-V62 HydrophobicContact CG2-CG1 3.85Å; M52-V62 HydrophobicContact CE-CB 4.27Å; M52-V62 HydrophobicContact CE-CG1 3.98Å; M52-V62 HydrophobicContact CE-CG2 4.34Å; M52-V62 HydrophobicContact SD-CG1 4.23Å; L55-V62 HydrophobicContact CB-CG2 3.94Å; L55-V62 HydrophobicContact CD1-CG1 4.23Å; L55-V62 HydrophobicContact CD1-CG2 3.84Å; L55-V62 HydrophobicContact CG-CG2 4.39Å; N60-V62 HydrophobicContact CB-CG2 4.27Å
63F98.9Very high97.7Very high33 Ų3350.5 Ų50.515%0.14528%0.282CS..EExtended strand (participates in β ladder)trans-114.2149168.5-53.5-82.3000108.7K32 V33 L34 I35 E61 I83 E87 V89K32-F63 HydrophobicContact CB-CE2 4.22Å; K32-F63 HydrophobicContact CD-CE2 4.47Å; K32-F63 HydrophobicContact CG-CE2 4.32Å; V33-F63 PolarHBondContact O-N 3.19Å; L34-F63 CarbonylContact C-O 3.56Å; L34-F63 WeakPolarHBondContact CA-O 3.47Å; L34-F63 HydrophobicContact CD1-CB 3.94Å; I35-F63 WeakPolarHBondContact CG2-O 3.47Å; I35-F63 PolarHBondContact N-O 3.41Å; E61-F63 HydrophobicContact CG-CE2 4.06Å; E61-F63 HydrophobicContact CG-CZ 3.95Å; E61-F63 WeakPolarHBondContact OE1-CZ 3.3Å; F63-I83 HydrophobicContact CB-CG2 3.8Å; F63-I83 HydrophobicContact CG-CG2 4.24Å; F63-E87 HydrophobicContact CD1-CB 4.04Å; F63-E87 HydrophobicContact CD1-CG 3.71Å; F63-E87 HydrophobicContact CD2-CB 4.24Å; F63-E87 HydrophobicContact CE1-CB 3.6Å; F63-E87 HydrophobicContact CE1-CG 3.46Å; F63-E87 VanDerWaalsContact CE1-CG 3.46Å; F63-E87 HydrophobicContact CE2-CB 3.82Å; F63-E87 HydrophobicContact CG-CB 4.34Å; F63-E87 HydrophobicContact CG-CG 4.36Å; F63-E87 HydrophobicContact CZ-CB 3.49Å; F63-E87 VanDerWaalsContact CZ-CB 3.49Å; F63-E87 HydrophobicContact CZ-CG 3.93Å; F63-V89 HydrophobicContact CD2-CG2 3.87Å; F63-V89 HydrophobicContact CE2-CG2 4.39Å
64E98.7Very high97.7Very high83 Ų8345.8 Ų45.839%0.38826%0.26SS..EExtended strand (participates in β ladder)trans-119.9131.6-175.1-59-170.6-12400112I35 Y37 Y48I35-E64 HydrophobicContact CG2-CB 4.11Å; I35-E64 HydrophobicContact CG2-CG 3.61Å; Y37-E64 HydrophobicContact CE1-CB 4.27Å; Y37-E64 HydrophobicContact CE1-CG 4.46Å; Y37-E64 WeakPolarHBondContact CE1-OE2 3.5Å; Y37-E64 VanDerWaalsContact CZ-OE2 3.27Å; Y37-E64 PolarHBondContact OH-OE2 3.11Å; Y48-E64 PolarHBondContact OH-OE1 2.65Å; Y48-E64 VanDerWaalsContact OH-OE1 3.13Å; Y48-E64 PolarHBondContact OH-OE2 3.01Å; Y48-E64 VanDerWaalsContact OH-OE2 3.13Å
65L98.8Very high97.7Very high5 Ų547 Ų473%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-112.792.1161.4-178.167.2000108.4L34 I35 V36 Y37 T76 R79 V107L34-L65 HydrophobicContact CD1-CB 4.05Å; L34-L65 HydrophobicContact CD2-CB 4.35Å; L34-L65 HydrophobicContact CG-CB 4.41Å; I35-L65 PolarHBondContact O-N 3.45Å; V36-L65 WeakPolarHBondContact CA-O 3.42Å; V36-L65 HydrophobicContact CG1-CB 4.47Å; V36-L65 HydrophobicContact CG1-CD2 4.03Å; V36-L65 HydrophobicContact CG1-CG 4.45Å; V36-L65 HydrophobicContact CG2-CB 4.2Å; V36-L65 HydrophobicContact CG2-CD2 4.23Å; Y37-L65 PolarHBondContact N-O 2.96Å; L65-T76 HydrophobicContact CD1-CG2 4.08Å; L65-T76 HydrophobicContact CD2-CG2 4.13Å; L65-T76 HydrophobicContact CG-CG2 4.18Å; L65-R79 HydrophobicContact CD1-CB 4.15Å; L65-V107 HydrophobicContact CD2-CG2 4.07Å
66A97.9Very high97.7Very high41 Ų4147 Ų4734%0.33927%0.266SS..EExtended strand (participates in β ladder)trans-92.4158.7-179.700000112.2Y37Y37-A66 HydrophobicContact CD2-CB 4.25Å; Y37-A66 HydrophobicContact CE1-CB 3.89Å; Y37-A66 HydrophobicContact CE2-CB 3.52Å; Y37-A66 CarbonylContact O-C 3.58Å; Y37-A66 WeakPolarHBondContact OH-CB 3.4Å
67G97.3Very high97.7Very high35 Ų3539.7 Ų39.736%0.36123%0.234SC..EExtended strand (participates in β ladder)trans79.328.6169.300000114.4Y37 G38 E69Y37-G67 PolarHBondContact O-N 3.42Å; G38-G67 PolarHBondContact O-N 2.92Å; G67-E69 PolarHBondContact O-N 2.79Å
68V98.5Very high97.8Very high6 Ų638.3 Ų38.34%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-57.6129.9169.5-177.40000110V36 Y37 G38 P72 T76 C103V36-V68 HydrophobicContact CG1-CG2 3.6Å; Y37-V68 PolarHBondContact O-N 2.8Å; Y37-V68 VanDerWaalsContact O-N 3.12Å; G38-V68 WeakPolarHBondContact CA-O 3.28Å; V68-P72 HydrophobicContact CG1-CB 3.88Å; V68-T76 HydrophobicContact CG2-CG2 3.99Å; V68-C103 HydrophobicContact CG1-CB 3.62Å; V68-C103 HydrophobicContact CG2-CB 4.19Å
69E96.8Very high97.8Very high34 Ų3442.6 Ų42.616%0.15923%0.232CC..  trans-74.8154.6-177.4-5688.8165.400111.9G67 N71 R73 T76 S99G67-E69 PolarHBondContact O-N 2.79Å; E69-N71 WeakPolarHBondContact CB-O 3.27Å; E69-N71 PolarHBondContact O-N 3.37Å; E69-R73 HydrophobicContact CB-CG 4.38Å; E69-R73 HydrophobicContact CG-CG 4.13Å; E69-R73 PolarHBondContact OE2-N 2.98Å; E69-T76 PolarHBondContact OE1-OG1 3.24Å; E69-T76 VanDerWaalsContact OE1-OG1 3.07Å; E69-T76 PolarHBondContact OE2-OG1 3.44Å; E69-S99 VanDerWaalsContact O-CB 3.27Å; E69-S99 WeakPolarHBondContact O-CB 3.33Å; E69-S99 PolarHBondContact O-OG 3.23Å
70P92Very high97.8Very high104 Ų10440.1 Ų40.168%0.67521%0.206SC*.SBendtrans-56.5-37.4173.1-25.935.5000113.2P72 S99P70-P72 WeakPolarHBondContact O-CD 3.32Å; P70-S99 WeakPolarHBondContact O-CB 3.46Å
71N92.8Very high97.8Very high11 Ų1139.3 Ų39.36%0.05920%0.202CC..SBendtrans-103.791.6166.1-69.7-52.6000107.4E69 R73 K161 D279E69-N71 WeakPolarHBondContact CB-O 3.27Å; E69-N71 PolarHBondContact O-N 3.37Å; N71-R73 WeakPolarHBondContact O-CG 3.31Å; N71-R73 PolarHBondContact O-N 3.45Å; N71-K161 WeakPolarHBondContact OD1-CE 3.24Å; N71-K161 PolarHBondContact OD1-NZ 3.24Å; N71-D279 PolarHBondContact ND2-OD1 3.34Å
72P97.1Very high97.8Very high6 Ų640.5 Ų40.54%0.03921%0.208CC..  trans-65.7132.3-164.327.6-35.2000110.9V68 P70 D102 C103 V152 I153 S154V68-P72 HydrophobicContact CG1-CB 3.88Å; P70-P72 WeakPolarHBondContact O-CD 3.32Å; P72-D102 HydrophobicContact CG-CB 4.44Å; P72-C103 HydrophobicContact CB-CB 3.94Å; P72-V152 VanDerWaalsContact CG-O 3.24Å; P72-V152 WeakPolarHBondContact CG-O 3.43Å; P72-I153 HydrophobicContact CB-CD1 4.26Å; P72-I153 HydrophobicContact CG-CD1 4.04Å; P72-S154 PolarHBondContact O-N 3.02Å
73R98Very high97.8Very high73 Ų7340.8 Ų40.828%0.27521%0.207SC..BIsolated β-bridgetrans-98.3147.4-169-58.2-180-176.1173.3-2.7112.5E69 N71 E75 T76 V77 S154E69-R73 HydrophobicContact CB-CG 4.38Å; E69-R73 HydrophobicContact CG-CG 4.13Å; E69-R73 PolarHBondContact OE2-N 2.98Å; N71-R73 WeakPolarHBondContact O-CG 3.31Å; N71-R73 PolarHBondContact O-N 3.45Å; R73-E75 WeakPolarHBondContact CB-OE2 3.42Å; R73-E75 PolarHBondContact O-N 3.41Å; R73-T76 WeakPolarHBondContact O-CB 3.46Å; R73-T76 PolarHBondContact O-N 3.34Å; R73-V77 PolarHBondContact O-N 2.86Å; R73-S154 WeakPolarHBondContact CA-O 3.29Å
74V98.6Very high97.8Very high0 Ų039.3 Ų39.30%020%0.201CC..Hα-helixtrans-60.6-29178.367.90000112.4T76 V77 R78 A117 W118 I153 S154 N155V74-T76 VanDerWaalsContact C-N 3.33Å; V74-T76 PolarHBondContact O-N 3.26Å; V74-V77 WeakPolarHBondContact O-CB 3.43Å; V74-V77 PolarHBondContact O-N 3.18Å; V74-R78 WeakPolarHBondContact O-CG 3.49Å; V74-R78 PolarHBondContact O-N 3.19Å; V74-A117 HydrophobicContact CG2-CB 3.98Å; V74-W118 HydrophobicContact CB-CE3 4.01Å; V74-W118 HydrophobicContact CG1-CE3 4.41Å; V74-W118 HydrophobicContact CG2-CB 3.99Å; V74-W118 HydrophobicContact CG2-CE3 4.02Å; V74-I153 HydrophobicContact CB-CG2 3.95Å; V74-S154 PolarHBondContact N-O 3.33Å; V74-N155 HydrophobicContact CG1-CB 4.08Å
75E98.5Very high97.8Very high71 Ų7140.5 Ų40.533%0.33220%0.202SC..Hα-helixtrans-62.6-38.7173.9-65.868.5-145.700112.1R73 R78 R79R73-E75 WeakPolarHBondContact CB-OE2 3.42Å; R73-E75 PolarHBondContact O-N 3.41Å; E75-R78 PolarHBondContact O-N 3Å; E75-R78 IonicContact OE1-NH1 3.2Å; E75-R78 PolarHBondContact OE1-NH1 3.2Å; E75-R79 WeakPolarHBondContact O-CG 3.45Å; E75-R79 PolarHBondContact O-N 2.55Å; E75-R79 VanDerWaalsContact O-N 3.14Å
76T98.7Very high97.8Very high1 Ų147.7 Ų47.71%0.00623%0.233CC..Hα-helixtrans-70-37.7175.7-61.30000111L65 V68 E69 R73 V74 R79 G80L65-T76 HydrophobicContact CD1-CG2 4.08Å; L65-T76 HydrophobicContact CD2-CG2 4.13Å; L65-T76 HydrophobicContact CG-CG2 4.18Å; V68-T76 HydrophobicContact CG2-CG2 3.99Å; E69-T76 PolarHBondContact OE1-OG1 3.24Å; E69-T76 VanDerWaalsContact OE1-OG1 3.07Å; E69-T76 PolarHBondContact OE2-OG1 3.44Å; R73-T76 WeakPolarHBondContact O-CB 3.46Å; R73-T76 PolarHBondContact O-N 3.34Å; V74-T76 VanDerWaalsContact C-N 3.33Å; V74-T76 PolarHBondContact O-N 3.26Å; T76-R79 PolarHBondContact O-N 2.98Å; T76-R79 PolarHBondContact OG1-NH2 3.34Å; T76-G80 PolarHBondContact O-N 3.22Å
77V98.9Very high97.9Very high0 Ų048.1 Ų48.10%023%0.228CC..Hα-helixtrans-61.7-45.9172.7177.30000111.6R73 V74 R79 G80 A81 V106 V107 A110 A117 I153R73-V77 PolarHBondContact O-N 2.86Å; V74-V77 WeakPolarHBondContact O-CB 3.43Å; V74-V77 PolarHBondContact O-N 3.18Å; V77-R79 PolarHBondContact O-N 3.13Å; V77-G80 PolarHBondContact O-N 3.46Å; V77-A81 PolarHBondContact O-N 3.02Å; V77-V106 HydrophobicContact CG1-CB 3.99Å; V77-V106 HydrophobicContact CG1-CG1 3.64Å; V77-V106 HydrophobicContact CG2-CB 4.23Å; V77-V106 HydrophobicContact CG2-CG1 4.44Å; V77-V107 HydrophobicContact CB-CG2 4.38Å; V77-V107 HydrophobicContact CG1-CG2 4.14Å; V77-A110 HydrophobicContact CG1-CB 4.27Å; V77-A117 HydrophobicContact CB-CB 4.39Å; V77-A117 HydrophobicContact CG1-CB 3.69Å; V77-I153 HydrophobicContact CG2-CD1 3.85Å; V77-I153 HydrophobicContact CG2-CG1 4.47Å; V77-I153 HydrophobicContact CG2-CG2 4.41Å
78R98.7Very high97.9Very high70 Ų7051.9 Ų51.926%0.26424%0.24SC..Hα-helixtrans-57.3-49.9177.6-73.3171.9-177.3134.13.1111.4V74 E75 G80 A81 E82 D116 A117V74-R78 WeakPolarHBondContact O-CG 3.49Å; V74-R78 PolarHBondContact O-N 3.19Å; E75-R78 PolarHBondContact O-N 3Å; E75-R78 IonicContact OE1-NH1 3.2Å; E75-R78 PolarHBondContact OE1-NH1 3.2Å; R78-G80 VanDerWaalsContact C-N 3.33Å; R78-G80 PolarHBondContact O-N 3.07Å; R78-A81 PolarHBondContact O-N 3.03Å; R78-E82 WeakPolarHBondContact O-CG 3.37Å; R78-E82 PolarHBondContact O-N 3.02Å; R78-D116 IonicContact CZ-OD1 2.77Å; R78-D116 IonicContact CZ-OD2 3.56Å; R78-D116 IonicContact NE-OD1 3.79Å; R78-D116 PolarHBondContact NE-OD1 3.34Å; R78-D116 IonicContact NE-OD2 3.79Å; R78-D116 PolarHBondContact NE-OD2 3.31Å; R78-D116 IonicContact NH2-OD1 3.72Å; R78-D116 PolarHBondContact NH2-OD1 3.12Å; R78-D116 IonicContact NH2-OD2 3.77Å; R78-D116 PolarHBondContact NH2-OD2 2.94Å; R78-A117 HydrophobicContact CG-CB 4.08Å
79R98.7Very high97.9Very high114 Ų11451.9 Ų51.943%0.4324%0.24SC..Hα-helixtrans-57.1-44.9176.2-70.6-176.2-63.6152.40.4112.1L65 E75 T76 V77 E82 I83L65-R79 HydrophobicContact CD1-CB 4.15Å; E75-R79 WeakPolarHBondContact O-CG 3.45Å; E75-R79 PolarHBondContact O-N 2.55Å; E75-R79 VanDerWaalsContact O-N 3.14Å; T76-R79 PolarHBondContact O-N 2.98Å; T76-R79 PolarHBondContact OG1-NH2 3.34Å; V77-R79 PolarHBondContact O-N 3.13Å; R79-E82 PolarHBondContact O-N 2.87Å; R79-I83 WeakPolarHBondContact O-CG1 3.19Å; R79-I83 PolarHBondContact O-N 3Å
80G98.9Very high98Very high0 Ų053.2 Ų53.20%025%0.248CC..Hα-helixtrans-60-47.4176.700000112.8T76 V77 R78 E82 I83 C84 V107T76-G80 PolarHBondContact O-N 3.22Å; V77-G80 PolarHBondContact O-N 3.46Å; R78-G80 VanDerWaalsContact C-N 3.33Å; R78-G80 PolarHBondContact O-N 3.07Å; G80-E82 VanDerWaalsContact C-N 3.34Å; G80-E82 PolarHBondContact O-N 3.46Å; G80-I83 PolarHBondContact O-N 3.47Å; G80-C84 PolarHBondContact O-N 3.15Å; G80-C84 PolarHBondContact O-SG 3.23Å; G80-V107 VanDerWaalsContact C-CG1 3.47Å
81A98.9Very high98.4Very high1 Ų148.2 Ų48.21%0.00822%0.216CC..Hα-helixtrans-65.6-37.3-179.900000111.9V77 R78 C84 R85 A110V77-A81 PolarHBondContact O-N 3.02Å; R78-A81 PolarHBondContact O-N 3.03Å; A81-C84 PolarHBondContact O-N 3.23Å; A81-R85 WeakPolarHBondContact O-CG 3.44Å; A81-R85 PolarHBondContact O-N 3.12Å; A81-A110 HydrophobicContact CB-CB 3.95Å
82E98.7Very high98.6Very high121 Ų12147.7 Ų47.757%0.56521%0.213SC*.Hα-helixtrans-60.9-47.1173.4-75.1170.7-171.400112.1R78 R79 G80 C84 R85 K86R78-E82 WeakPolarHBondContact O-CG 3.37Å; R78-E82 PolarHBondContact O-N 3.02Å; R79-E82 PolarHBondContact O-N 2.87Å; G80-E82 VanDerWaalsContact C-N 3.34Å; G80-E82 PolarHBondContact O-N 3.46Å; E82-C84 PolarHBondContact O-N 3.33Å; E82-R85 PolarHBondContact O-N 3.26Å; E82-K86 WeakPolarHBondContact O-CB 3.47Å; E82-K86 PolarHBondContact O-N 2.83Å
83I98.9Very high98.7Very high48 Ų4847.4 Ų47.425%0.24621%0.211CC..Hα-helixtrans-58.9-48.7175.3-65.2163.7000109.9L34 F63 R79 G80 R85 K86 E87L34-I83 HydrophobicContact CD1-CB 4.5Å; L34-I83 HydrophobicContact CD1-CG2 3.89Å; F63-I83 HydrophobicContact CB-CG2 3.8Å; F63-I83 HydrophobicContact CG-CG2 4.24Å; R79-I83 WeakPolarHBondContact O-CG1 3.19Å; R79-I83 PolarHBondContact O-N 3Å; G80-I83 PolarHBondContact O-N 3.47Å; I83-R85 VanDerWaalsContact C-N 3.35Å; I83-R85 PolarHBondContact O-N 3.4Å; I83-K86 PolarHBondContact O-N 3.41Å; I83-E87 HydrophobicContact CG2-CG 4.25Å; I83-E87 WeakPolarHBondContact O-CB 3.46Å; I83-E87 WeakPolarHBondContact O-CG 3.25Å; I83-E87 PolarHBondContact O-N 3.16Å
84C98.9Very high98.8Very high2 Ų244 Ų441%0.01420%0.198CC..Hα-helixtrans-58.5-43.8-179.5-76.30000113.1L34 G80 A81 E82 N88 V89 T111 L132L34-C84 WeakPolarHBondContact CD2-SG 3.46Å; G80-C84 PolarHBondContact O-N 3.15Å; G80-C84 PolarHBondContact O-SG 3.23Å; A81-C84 PolarHBondContact O-N 3.23Å; E82-C84 PolarHBondContact O-N 3.33Å; C84-N88 WeakPolarHBondContact O-CA 3.4Å; C84-N88 PolarHBondContact O-N 2.88Å; C84-N88 VanDerWaalsContact O-N 3.13Å; C84-V89 HydrophobicContact CB-CB 4.11Å; C84-V89 HydrophobicContact CB-CG2 4.37Å; C84-V89 PolarHBondContact O-N 3.39Å; C84-T111 HydrophobicContact CB-CG2 3.65Å; C84-T111 VanDerWaalsContact CB-OG1 3.22Å; C84-T111 WeakPolarHBondContact CB-OG1 3.37Å; C84-L132 HydrophobicContact CB-CD1 3.99Å
85R98.6Very high98.8Very high108 Ų10844 Ų4441%0.40820%0.198SC..Hα-helixtrans-70.3-45.2178.5-68.7-177.8-162.6127.3-14.8112A81 E82 I83 A110 T111 F113A81-R85 WeakPolarHBondContact O-CG 3.44Å; A81-R85 PolarHBondContact O-N 3.12Å; E82-R85 PolarHBondContact O-N 3.26Å; I83-R85 VanDerWaalsContact C-N 3.35Å; I83-R85 PolarHBondContact O-N 3.4Å; R85-A110 PolarHBondContact NH2-O 3.43Å; R85-T111 HydrophobicContact CG-CG2 4.01Å; R85-T111 PolarHBondContact NE-O 2.86Å; R85-T111 VanDerWaalsContact NE-O 3.16Å; R85-F113 PolarHBondContact NH2-O 3.31Å
86K98.7Very high98.8Very high156 Ų15640.7 Ų40.768%0.67818%0.183SC*.Hα-helixtrans-64-45.7-177.5-178.2-173.1169.4-142.90111.6E82 I83E82-K86 WeakPolarHBondContact O-CB 3.47Å; E82-K86 PolarHBondContact O-N 2.83Å; I83-K86 PolarHBondContact O-N 3.41Å
87E98.8Very high98.7Very high50 Ų5041 Ų4123%0.23419%0.187CC..Hα-helixtrans-94-3.5-171.1-53.4-59.5161.200112.9K32 F63 I83 V89K32-E87 WeakPolarHBondContact CD-O 3.43Å; K32-E87 PolarHBondContact NZ-O 2.97Å; F63-E87 HydrophobicContact CD1-CB 4.04Å; F63-E87 HydrophobicContact CD1-CG 3.71Å; F63-E87 HydrophobicContact CD2-CB 4.24Å; F63-E87 HydrophobicContact CE1-CB 3.6Å; F63-E87 HydrophobicContact CE1-CG 3.46Å; F63-E87 VanDerWaalsContact CE1-CG 3.46Å; F63-E87 HydrophobicContact CE2-CB 3.82Å; F63-E87 HydrophobicContact CG-CB 4.34Å; F63-E87 HydrophobicContact CG-CG 4.36Å; F63-E87 HydrophobicContact CZ-CB 3.49Å; F63-E87 VanDerWaalsContact CZ-CB 3.49Å; F63-E87 HydrophobicContact CZ-CG 3.93Å; I83-E87 HydrophobicContact CG2-CG 4.25Å; I83-E87 WeakPolarHBondContact O-CB 3.46Å; I83-E87 WeakPolarHBondContact O-CG 3.25Å; I83-E87 PolarHBondContact O-N 3.16Å; E87-V89 HydrophobicContact CB-CG2 4.49Å
88N98.5Very high98.7Very high113 Ų11341.2 Ų41.260%0.60419%0.189SC*.THydrogen-bonded Turntrans55.557.3-174.8-57.6-82000111.4K32 C84K32-N88 WeakPolarHBondContact CD-O 3.33Å; C84-N88 WeakPolarHBondContact O-CA 3.4Å; C84-N88 PolarHBondContact O-N 2.88Å; C84-N88 VanDerWaalsContact O-N 3.13Å
89V98.9Very high98.7Very high7 Ų739.4 Ų39.44%0.04219%0.187CC..  trans-64.2134.4178.51690000110.5L34 F63 C84 E87 V91 L132L34-V89 HydrophobicContact CB-CG1 3.85Å; L34-V89 HydrophobicContact CB-CG2 4.2Å; F63-V89 HydrophobicContact CD2-CG2 3.87Å; F63-V89 HydrophobicContact CE2-CG2 4.39Å; C84-V89 HydrophobicContact CB-CB 4.11Å; C84-V89 HydrophobicContact CB-CG2 4.37Å; C84-V89 PolarHBondContact O-N 3.39Å; E87-V89 HydrophobicContact CB-CG2 4.49Å; V89-V91 VanDerWaalsContact CG1-O 3.25Å; V89-V91 WeakPolarHBondContact CG1-O 3.47Å; V89-L132 HydrophobicContact CB-CD1 4.31Å; V89-L132 HydrophobicContact CG1-CD1 4.12Å; V89-L132 WeakPolarHBondContact O-CD2 3.42Å
90D98.9Very high98.7Very high61 Ų6134.1 Ų34.133%0.32617%0.168SC..  trans-85.8-41.2179.8-59.5-46.3000111.7K31 K32 P133K31-D90 PolarHBondContact N-OD2 2.87Å; K32-D90 WeakPolarHBondContact CB-OD2 3.22Å; K32-D90 PolarHBondContact N-OD2 2.88Å; K32-D90 PolarHBondContact O-N 2.73Å; D90-P133 VanDerWaalsContact O-CD 3.24Å; D90-P133 WeakPolarHBondContact O-CD 3.37Å; D90-P133 VanDerWaalsContact O-CG 3.22Å; D90-P133 WeakPolarHBondContact O-CG 3.4Å
91V98.9Very high98.7Very high0 Ų034.1 Ų34.10%017%0.168CC..EExtended strand (participates in β ladder)trans-146.8145-172.261.80000111.5L26 Y29 K32 V33 L34 V89 P133 V135L26-V91 HydrophobicContact CD2-CG1 3.95Å; L26-V91 HydrophobicContact CD2-CG2 4.19Å; Y29-V91 HydrophobicContact CD2-CG2 4.05Å; Y29-V91 HydrophobicContact CG-CG2 4.18Å; K32-V91 PolarHBondContact O-N 3.34Å; V33-V91 WeakPolarHBondContact CA-O 3.24Å; V33-V91 HydrophobicContact CB-CG1 4.43Å; V33-V91 HydrophobicContact CG1-CG1 4.47Å; V33-V91 HydrophobicContact CG2-CG1 3.8Å; L34-V91 PolarHBondContact N-O 3.34Å; V89-V91 VanDerWaalsContact CG1-O 3.25Å; V89-V91 WeakPolarHBondContact CG1-O 3.47Å; V91-P133 HydrophobicContact CB-CG 4.04Å; V91-P133 HydrophobicContact CG2-CB 4.25Å; V91-P133 HydrophobicContact CG2-CG 4.08Å; V91-P133 WeakPolarHBondContact CG2-O 3.39Å; V91-V135 HydrophobicContact CG2-CG2 4.12Å
92I99Very high98.7Very high0 Ų034.7 Ų34.70%017%0.171CC..EExtended strand (participates in β ladder)trans-101.2132.4173.8-55.8-173.5000109.2L34 V36 A104 V107 A108 L132 P133 L134 V135L34-I92 HydrophobicContact CB-CG1 4.41Å; L34-I92 HydrophobicContact CD2-CD1 4.5Å; L34-I92 WeakPolarHBondContact O-CA 3.35Å; V36-I92 HydrophobicContact CG2-CG2 3.58Å; I92-A104 HydrophobicContact CG2-CB 3.94Å; I92-V107 HydrophobicContact CD1-CB 4.1Å; I92-V107 HydrophobicContact CD1-CG1 3.6Å; I92-A108 HydrophobicContact CD1-CB 3.81Å; I92-L132 HydrophobicContact CD1-CB 4.46Å; I92-L132 HydrophobicContact CD1-CD1 4.3Å; I92-L132 HydrophobicContact CG1-CB 4.32Å; I92-L132 HydrophobicContact CG1-CD1 4.19Å; I92-P133 PolarHBondContact N-O 2.93Å; I92-L134 HydrophobicContact CB-CD1 4.04Å; I92-L134 HydrophobicContact CG2-CD1 3.89Å; I92-V135 PolarHBondContact O-N 2.82Å
93L98.9Very high98.7Very high0 Ų029 Ų290%014%0.144CC..EExtended strand (participates in β ladder)trans-112.9103.6172.8177.660.9000109.7L22 V33 L34 I35 V36 V51 L55 V95 V135 I137L22-L93 HydrophobicContact CD1-CD1 4Å; L22-L93 HydrophobicContact CD1-CD2 4.35Å; L22-L93 HydrophobicContact CD2-CD2 4Å; V33-L93 HydrophobicContact CG1-CB 3.7Å; L34-L93 PolarHBondContact O-N 2.97Å; I35-L93 CarbonylContact C-O 3.52Å; I35-L93 VanDerWaalsContact CA-O 3.32Å; I35-L93 WeakPolarHBondContact CA-O 3.32Å; V36-L93 PolarHBondContact N-O 3.34Å; V51-L93 HydrophobicContact CG1-CD2 3.76Å; L55-L93 HydrophobicContact CD1-CD2 4.34Å; L55-L93 HydrophobicContact CD2-CD2 4.31Å; L93-V95 HydrophobicContact CD1-CG2 4.45Å; L93-V95 HydrophobicContact CD2-CG2 4.35Å; L93-V95 HydrophobicContact CG-CG2 3.95Å; L93-V135 CarbonylContact C-O 3.43Å; L93-V135 WeakPolarHBondContact CA-O 3.47Å; L93-V135 HydrophobicContact CD1-CB 4.05Å; L93-V135 HydrophobicContact CD1-CG1 3.82Å; L93-I137 HydrophobicContact CD1-CD1 4.16Å; L93-I137 HydrophobicContact CD1-CG1 4.15Å
94A98.9Very high98.7Very high0 Ų026.7 Ų26.70%013%0.132CC..EExtended strand (participates in β ladder)trans-87.6123.5175.600000110.7T100 I101 A104 L134 V135 T136 I137A94-T100 HydrophobicContact CB-CG2 4.31Å; A94-I101 HydrophobicContact CB-CG1 4.14Å; A94-A104 HydrophobicContact CB-CB 3.65Å; A94-L134 HydrophobicContact CB-CD1 4.03Å; A94-V135 PolarHBondContact N-O 3.46Å; A94-T136 HydrophobicContact CB-CG2 4.31Å; A94-T136 CarbonylContact O-C 3.44Å; A94-T136 WeakPolarHBondContact O-CA 3.36Å; A94-I137 PolarHBondContact O-N 2.92Å
95V98.8Very high98.7Very high0 Ų026.6 Ų26.60%013%0.131CC..EExtended strand (participates in β ladder)trans-122.197.6178.1-168.80000108.4I35 V36 Y37 I42 L47 V51 L93 I137I35-V95 HydrophobicContact CD1-CG2 4.05Å; I35-V95 HydrophobicContact CG1-CG2 4.04Å; V36-V95 PolarHBondContact O-N 3.06Å; Y37-V95 WeakPolarHBondContact CB-O 3.49Å; I42-V95 HydrophobicContact CB-CG1 4.44Å; I42-V95 HydrophobicContact CD1-CB 4.02Å; I42-V95 HydrophobicContact CD1-CG1 3.92Å; I42-V95 HydrophobicContact CG2-CG1 3.99Å; L47-V95 HydrophobicContact CD2-CG1 3.8Å; L47-V95 HydrophobicContact CG-CG1 4.2Å; V51-V95 HydrophobicContact CG1-CG2 4.45Å; V51-V95 HydrophobicContact CG2-CG1 4.49Å; V51-V95 HydrophobicContact CG2-CG2 4.49Å; L93-V95 HydrophobicContact CD1-CG2 4.45Å; L93-V95 HydrophobicContact CD2-CG2 4.35Å; L93-V95 HydrophobicContact CG-CG2 3.95Å; V95-I137 HydrophobicContact CG1-CB 4.1Å; V95-I137 HydrophobicContact CG1-CG2 4.29Å; V95-I137 HydrophobicContact CG2-CB 4.35Å; V95-I137 HydrophobicContact CG2-CD1 4.04Å; V95-I137 HydrophobicContact CG2-CG1 4.45Å
96G98.5Very high98.7Very high2 Ų221.5 Ų21.52%0.02111%0.112CC..EExtended strand (participates in β ladder)trans171-165.6-170.200000114.9I137 T139G96-I137 PolarHBondContact N-O 3.39Å; G96-I137 VanDerWaalsContact N-O 3.09Å; G96-T139 WeakPolarHBondContact CA-OG1 3.48Å; G96-T139 PolarHBondContact O-N 3.26Å; G96-T139 PolarHBondContact O-OG1 3.06Å
97G97.7Very high98.7Very high9 Ų914 Ų149%0.0938%0.08CC..SBendtrans-89-168.2172.700000111.6S99 T100 I101 T139G97-S99 VanDerWaalsContact C-N 3.28Å; G97-S99 PolarHBondContact O-N 2.97Å; G97-T100 WeakPolarHBondContact O-CB 3.42Å; G97-T100 PolarHBondContact O-N 3.49Å; G97-T100 VanDerWaalsContact O-N 3.15Å; G97-I101 WeakPolarHBondContact O-CG1 3.37Å; G97-I101 PolarHBondContact O-N 2.93Å; G97-I101 VanDerWaalsContact O-N 3.14Å; G97-T139 PolarHBondContact N-OG1 2.87Å
98G98.1Very high98.7Very high4 Ų411.7 Ų11.74%0.0417%0.069CC..Hα-helixtrans-50.7-43.6179.600000113.8T100 I101 D102 T143G98-T100 PolarHBondContact O-N 3.17Å; G98-I101 PolarHBondContact O-N 3.17Å; G98-I101 VanDerWaalsContact O-N 3.15Å; G98-D102 WeakPolarHBondContact O-CB 3.26Å; G98-D102 PolarHBondContact O-N 3.4Å; G98-T143 VanDerWaalsContact CA-OG1 3.29Å; G98-T143 WeakPolarHBondContact CA-OG1 3.19Å
99S98.2Very high98.7Very high31 Ų316.3 Ų6.322%0.2174%0.04CC..Hα-helixtrans-60.5-43.418067.40000113.8E69 P70 G97 C103E69-S99 VanDerWaalsContact O-CB 3.27Å; E69-S99 WeakPolarHBondContact O-CB 3.33Å; E69-S99 PolarHBondContact O-OG 3.23Å; P70-S99 WeakPolarHBondContact O-CB 3.46Å; G97-S99 VanDerWaalsContact C-N 3.28Å; G97-S99 PolarHBondContact O-N 2.97Å; S99-C103 WeakPolarHBondContact O-CB 3.47Å; S99-C103 PolarHBondContact O-N 3.14Å
100T98.8Very high98.7Very high4 Ų46.1 Ų6.13%0.0254%0.039CC..Hα-helixtrans-62.3-44.9174.9-57.60000111.1V36 A94 G97 G98 A104V36-T100 HydrophobicContact CB-CG2 4.41Å; V36-T100 HydrophobicContact CG1-CG2 3.99Å; V36-T100 WeakPolarHBondContact O-CG2 3.27Å; A94-T100 HydrophobicContact CB-CG2 4.31Å; G97-T100 WeakPolarHBondContact O-CB 3.42Å; G97-T100 PolarHBondContact O-N 3.49Å; G97-T100 VanDerWaalsContact O-N 3.15Å; G98-T100 PolarHBondContact O-N 3.17Å; T100-A104 WeakPolarHBondContact O-CB 3.42Å; T100-A104 PolarHBondContact O-N 3.25Å
101I98.9Very high98.7Very high0 Ų03.9 Ų3.90%03%0.028CC..Hα-helixtrans-69.1-42.2-177.6-62.8170.9000110.3A94 G97 G98 A104 K105 T136 L138 E146A94-I101 HydrophobicContact CB-CG1 4.14Å; G97-I101 WeakPolarHBondContact O-CG1 3.37Å; G97-I101 PolarHBondContact O-N 2.93Å; G97-I101 VanDerWaalsContact O-N 3.14Å; G98-I101 PolarHBondContact O-N 3.17Å; G98-I101 VanDerWaalsContact O-N 3.15Å; I101-A104 WeakPolarHBondContact O-CB 3.28Å; I101-A104 PolarHBondContact O-N 2.9Å; I101-A104 VanDerWaalsContact O-N 3.16Å; I101-K105 HydrophobicContact CG2-CD 4.44Å; I101-K105 HydrophobicContact CG2-CG 4.46Å; I101-K105 VanDerWaalsContact O-CG 3.31Å; I101-K105 WeakPolarHBondContact O-CG 3.41Å; I101-K105 PolarHBondContact O-N 2.94Å; I101-T136 HydrophobicContact CD1-CG2 4.31Å; I101-T136 HydrophobicContact CG1-CG2 4.16Å; I101-T136 HydrophobicContact CG2-CG2 3.88Å; I101-L138 HydrophobicContact CD1-CD1 3.68Å; I101-E146 HydrophobicContact CD1-CB 4.04Å
102D98.8Very high98.7Very high13 Ų139.8 Ų9.87%0.075%0.053CC..Hα-helixtrans-63.5-44.9177.3-78.313.7000111.6P72 G98 A104 K105 V106 S145 A151 V152P72-D102 HydrophobicContact CG-CB 4.44Å; G98-D102 WeakPolarHBondContact O-CB 3.26Å; G98-D102 PolarHBondContact O-N 3.4Å; D102-A104 VanDerWaalsContact C-N 3.31Å; D102-A104 PolarHBondContact O-N 2.71Å; D102-K105 WeakPolarHBondContact O-CB 3.34Å; D102-K105 PolarHBondContact O-N 2.86Å; D102-K105 IonicContact OD1-NZ 2.69Å; D102-V106 WeakPolarHBondContact O-CG2 3.49Å; D102-V106 PolarHBondContact O-N 3.08Å; D102-V106 VanDerWaalsContact O-N 3.12Å; D102-S145 VanDerWaalsContact OD1-CB 3.24Å; D102-S145 WeakPolarHBondContact OD1-CB 3.36Å; D102-S145 PolarHBondContact OD1-OG 3.31Å; D102-A151 HydrophobicContact CB-CB 3.81Å; D102-A151 WeakPolarHBondContact OD2-CA 3.43Å; D102-V152 PolarHBondContact OD2-N 3.36Å
103C98.9Very high98.6Very high0 Ų011.1 Ų11.10%06%0.06CC..Hα-helixtrans-55.8-48.5170.6-177.70000110.9V68 P72 S99 K105 V106 V107V68-C103 HydrophobicContact CG1-CB 3.62Å; V68-C103 HydrophobicContact CG2-CB 4.19Å; P72-C103 HydrophobicContact CB-CB 3.94Å; S99-C103 WeakPolarHBondContact O-CB 3.47Å; S99-C103 PolarHBondContact O-N 3.14Å; C103-K105 PolarHBondContact O-N 3.4Å; C103-V106 PolarHBondContact O-N 2.71Å; C103-V107 VanDerWaalsContact O-CG2 3.25Å; C103-V107 WeakPolarHBondContact O-CG2 3.47Å; C103-V107 PolarHBondContact O-N 3.46Å
104A98.9Very high98.4Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-63.4-37.8-178.900000113.1V36 I92 A94 T100 I101 D102 V107 A108 L134V36-A104 HydrophobicContact CB-CB 4.23Å; V36-A104 HydrophobicContact CG1-CB 4.29Å; V36-A104 HydrophobicContact CG2-CB 4.18Å; I92-A104 HydrophobicContact CG2-CB 3.94Å; A94-A104 HydrophobicContact CB-CB 3.65Å; T100-A104 WeakPolarHBondContact O-CB 3.42Å; T100-A104 PolarHBondContact O-N 3.25Å; I101-A104 WeakPolarHBondContact O-CB 3.28Å; I101-A104 PolarHBondContact O-N 2.9Å; I101-A104 VanDerWaalsContact O-N 3.16Å; D102-A104 VanDerWaalsContact C-N 3.31Å; D102-A104 PolarHBondContact O-N 2.71Å; A104-V107 PolarHBondContact O-N 2.79Å; A104-A108 WeakPolarHBondContact O-CB 3.23Å; A104-A108 PolarHBondContact O-N 3.04Å; A104-L134 HydrophobicContact CB-CD1 3.77Å
105K98.9Very high98.3Very high0 Ų022.1 Ų22.10%012%0.122CC..Hα-helixtrans-58.8-48.7173.4-75173.4178.6164.20111.5I101 D102 C103 A108 A109 L134 S145 N148 G150 A151 M169I101-K105 HydrophobicContact CG2-CD 4.44Å; I101-K105 HydrophobicContact CG2-CG 4.46Å; I101-K105 VanDerWaalsContact O-CG 3.31Å; I101-K105 WeakPolarHBondContact O-CG 3.41Å; I101-K105 PolarHBondContact O-N 2.94Å; D102-K105 WeakPolarHBondContact O-CB 3.34Å; D102-K105 PolarHBondContact O-N 2.86Å; D102-K105 IonicContact OD1-NZ 2.69Å; C103-K105 PolarHBondContact O-N 3.4Å; K105-A108 WeakPolarHBondContact O-CB 3.39Å; K105-A108 PolarHBondContact O-N 3.16Å; K105-A109 PolarHBondContact O-N 2.91Å; K105-A109 VanDerWaalsContact O-N 3.13Å; K105-L134 HydrophobicContact CB-CD2 4.37Å; K105-L134 HydrophobicContact CG-CD2 3.5Å; K105-L134 VanDerWaalsContact CG-CD2 3.5Å; K105-S145 WeakPolarHBondContact CE-O 3.46Å; K105-S145 VanDerWaalsContact NZ-CA 3.31Å; K105-S145 PolarHBondContact NZ-O 2.8Å; K105-N148 WeakPolarHBondContact CE-O 3.34Å; K105-N148 PolarHBondContact NZ-O 3.42Å; K105-N148 PolarHBondContact NZ-OD1 2.88Å; K105-G150 WeakPolarHBondContact CD-O 3.4Å; K105-G150 WeakPolarHBondContact CE-O 3.37Å; K105-G150 PolarHBondContact NZ-O 2.75Å; K105-A151 HydrophobicContact CB-CB 4.22Å; K105-A151 HydrophobicContact CD-CB 4.14Å; K105-M169 HydrophobicContact CB-CB 4.19Å; K105-M169 HydrophobicContact CG-CB 4.4Å; K105-M169 WeakPolarHBondContact CG-O 3.28Å
106V98.9Very high98.2Very high1 Ų124.6 Ų24.61%0.00614%0.136CC..Hα-helixtrans-72.5-34.4-178.9-170.10000110.7V77 D102 C103 A108 A109 A110 L120 V121 A151 I153 T164V77-V106 HydrophobicContact CG1-CB 3.99Å; V77-V106 HydrophobicContact CG1-CG1 3.64Å; V77-V106 HydrophobicContact CG2-CB 4.23Å; V77-V106 HydrophobicContact CG2-CG1 4.44Å; D102-V106 WeakPolarHBondContact O-CG2 3.49Å; D102-V106 PolarHBondContact O-N 3.08Å; D102-V106 VanDerWaalsContact O-N 3.12Å; C103-V106 PolarHBondContact O-N 2.71Å; V106-A108 VanDerWaalsContact C-N 3.33Å; V106-A108 PolarHBondContact O-N 2.99Å; V106-A109 PolarHBondContact O-N 2.72Å; V106-A110 WeakPolarHBondContact O-CA 3.25Å; V106-A110 WeakPolarHBondContact O-CB 3.18Å; V106-A110 PolarHBondContact O-N 2.76Å; V106-L120 HydrophobicContact CG1-CD2 4.02Å; V106-V121 HydrophobicContact CG1-CG2 4.15Å; V106-A151 HydrophobicContact CG2-CB 3.66Å; V106-I153 HydrophobicContact CB-CD1 4.23Å; V106-I153 HydrophobicContact CB-CG1 4.18Å; V106-I153 HydrophobicContact CG1-CG1 4.4Å; V106-I153 HydrophobicContact CG2-CD1 3.86Å; V106-I153 HydrophobicContact CG2-CG1 3.6Å; V106-T164 HydrophobicContact CG2-CG2 3.81Å
107V98.9Very high98.2Very high0 Ų024.8 Ų24.80%014%0.137CC..Hα-helixtrans-58.4-45.3169.6172.70000111L34 L65 V77 G80 I92 C103 A104 A109 A110 T111L34-V107 HydrophobicContact CD2-CG1 3.99Å; L65-V107 HydrophobicContact CD2-CG2 4.07Å; V77-V107 HydrophobicContact CB-CG2 4.38Å; V77-V107 HydrophobicContact CG1-CG2 4.14Å; G80-V107 VanDerWaalsContact C-CG1 3.47Å; I92-V107 HydrophobicContact CD1-CB 4.1Å; I92-V107 HydrophobicContact CD1-CG1 3.6Å; C103-V107 VanDerWaalsContact O-CG2 3.25Å; C103-V107 WeakPolarHBondContact O-CG2 3.47Å; C103-V107 PolarHBondContact O-N 3.46Å; A104-V107 PolarHBondContact O-N 2.79Å; V107-A109 PolarHBondContact O-N 3.06Å; V107-A110 PolarHBondContact O-N 3.39Å; V107-T111 WeakPolarHBondContact O-CB 3.43Å; V107-T111 PolarHBondContact O-N 3.38Å; V107-T111 PolarHBondContact O-OG1 3.44Å
108A98.9Very high98.3Very high1 Ų125.2 Ų25.21%0.00814%0.136CC..Hα-helixtrans-58.9-46.3-179.200000112I92 A104 K105 V106 A131 L132I92-A108 HydrophobicContact CD1-CB 3.81Å; A104-A108 WeakPolarHBondContact O-CB 3.23Å; A104-A108 PolarHBondContact O-N 3.04Å; K105-A108 WeakPolarHBondContact O-CB 3.39Å; K105-A108 PolarHBondContact O-N 3.16Å; V106-A108 VanDerWaalsContact C-N 3.33Å; V106-A108 PolarHBondContact O-N 2.99Å; A108-A131 HydrophobicContact CB-CB 3.98Å; A108-A131 VanDerWaalsContact O-CA 3.3Å; A108-A131 WeakPolarHBondContact O-CA 3.49Å; A108-L132 HydrophobicContact CB-CB 4.24Å; A108-L132 WeakPolarHBondContact CB-O 3.32Å; A108-L132 PolarHBondContact O-N 3.11Å
109A98.8Very high98.3Very high0 Ų028.8 Ų28.80%015%0.154CC..Hα-helixtrans-74.3-45.117800000112.2K105 V106 V107 T111 K112 F113 L120 Y127 A131 M169K105-A109 PolarHBondContact O-N 2.91Å; K105-A109 VanDerWaalsContact O-N 3.13Å; V106-A109 PolarHBondContact O-N 2.72Å; V107-A109 PolarHBondContact O-N 3.06Å; A109-T111 PolarHBondContact O-N 3.01Å; A109-K112 PolarHBondContact O-N 2.81Å; A109-F113 PolarHBondContact O-N 3.3Å; A109-L120 HydrophobicContact CB-CD2 3.72Å; A109-Y127 HydrophobicContact CB-CD1 4.34Å; A109-Y127 HydrophobicContact CB-CE1 3.81Å; A109-A131 HydrophobicContact CB-CB 4.12Å; A109-M169 HydrophobicContact CB-CE 3.31Å; A109-M169 HydrophobicContact CB-CG 3.91Å; A109-M169 HydrophobicContact CB-SD 4.38Å
110A98.7Very high98.2Very high2 Ų227.3 Ų27.32%0.01714%0.144CC..Hα-helixtrans-58.2-35.9179.300000111.6V77 A81 R85 V106 V107 K112 F113 A117 L120V77-A110 HydrophobicContact CG1-CB 4.27Å; A81-A110 HydrophobicContact CB-CB 3.95Å; R85-A110 PolarHBondContact NH2-O 3.43Å; V106-A110 WeakPolarHBondContact O-CA 3.25Å; V106-A110 WeakPolarHBondContact O-CB 3.18Å; V106-A110 PolarHBondContact O-N 2.76Å; V107-A110 PolarHBondContact O-N 3.39Å; A110-K112 PolarHBondContact O-N 3.49Å; A110-K112 VanDerWaalsContact O-N 3.14Å; A110-F113 PolarHBondContact O-N 3.12Å; A110-F113 VanDerWaalsContact O-N 3.1Å; A110-A117 HydrophobicContact CB-CB 4.17Å; A110-L120 HydrophobicContact CB-CD2 4.12Å
111T98.8Very high98.2Very high15 Ų1527.1 Ų27.19%0.09214%0.143CC..THydrogen-bonded Turntrans-52.8-36.3174.5-61.50000112.7C84 R85 V107 A109 L132C84-T111 HydrophobicContact CB-CG2 3.65Å; C84-T111 VanDerWaalsContact CB-OG1 3.22Å; C84-T111 WeakPolarHBondContact CB-OG1 3.37Å; R85-T111 HydrophobicContact CG-CG2 4.01Å; R85-T111 PolarHBondContact NE-O 2.86Å; R85-T111 VanDerWaalsContact NE-O 3.16Å; V107-T111 WeakPolarHBondContact O-CB 3.43Å; V107-T111 PolarHBondContact O-N 3.38Å; V107-T111 PolarHBondContact O-OG1 3.44Å; A109-T111 PolarHBondContact O-N 3.01Å; T111-L132 HydrophobicContact CG2-CD1 3.84Å; T111-L132 HydrophobicContact CG2-CG 4.09Å
112K98Very high98.1Very high123 Ų12331 Ų3154%0.53516%0.163SC..THydrogen-bonded Turntrans-99-11.2-179.5-58-60.8-175.7-175.50113.7A109 A110 G130A109-K112 PolarHBondContact O-N 2.81Å; A110-K112 PolarHBondContact O-N 3.49Å; A110-K112 VanDerWaalsContact O-N 3.14Å; K112-G130 WeakPolarHBondContact CB-O 3.18Å
113F97.9Very high97.9Very high29 Ų2933.4 Ų33.413%0.12717%0.174CC..SBendtrans-80.2133.2-179.8-177.9-112.7000111.2R85 A109 A110 G115 D116 D119 L120 Q123 Y127R85-F113 PolarHBondContact NH2-O 3.31Å; A109-F113 PolarHBondContact O-N 3.3Å; A110-F113 PolarHBondContact O-N 3.12Å; A110-F113 VanDerWaalsContact O-N 3.1Å; F113-G115 PolarHBondContact O-N 2.79Å; F113-D116 WeakPolarHBondContact CE1-O 3.45Å; F113-D119 HydrophobicContact CE1-CB 4.05Å; F113-D119 HydrophobicContact CZ-CB 4.34Å; F113-L120 HydrophobicContact CB-CD1 4.47Å; F113-L120 HydrophobicContact CB-CD2 4.45Å; F113-L120 HydrophobicContact CD1-CB 3.82Å; F113-L120 HydrophobicContact CD2-CD1 4.04Å; F113-L120 HydrophobicContact CE1-CB 3.98Å; F113-L120 HydrophobicContact CE2-CD1 4.47Å; F113-L120 HydrophobicContact CG-CB 4.17Å; F113-L120 HydrophobicContact CG-CD1 4.11Å; F113-L120 HydrophobicContact CZ-CB 4.47Å; F113-Q123 VanDerWaalsContact CE2-NE2 3.29Å; F113-Q123 VanDerWaalsContact CZ-NE2 3.3Å; F113-Y127 HydrophobicContact CB-CE2 4.44Å; F113-Y127 HydrophobicContact CD2-CD2 4Å; F113-Y127 AromaticContact CD2-CE2 3.68Å; F113-Y127 HydrophobicContact CD2-CE2 3.68Å; F113-Y127 HydrophobicContact CE2-CD2 4.45Å; F113-Y127 HydrophobicContact CE2-CE2 4.49Å; F113-Y127 HydrophobicContact CG-CE2 4.49Å
114E94.4Very high97.6Very high187 Ų18737.1 Ų37.187%0.87419%0.188SC*.SBendtrans-84.592.5171.9-66.3-177.3178.800109.6
115G96.1Very high97.3Very high43 Ų4345.3 Ų45.344%0.44322%0.219SC..SBendtrans149.8-171.417900000112.8F113F113-G115 PolarHBondContact O-N 2.79Å
116D98.1Very high97.1Very high53 Ų5353.5 Ų53.528%0.28325%0.254SS..  trans-73.8149.4174.8-173.9-109.4000111.3R78 F113 W118 D119 L120R78-D116 IonicContact CZ-OD1 2.77Å; R78-D116 IonicContact CZ-OD2 3.56Å; R78-D116 IonicContact NE-OD1 3.79Å; R78-D116 PolarHBondContact NE-OD1 3.34Å; R78-D116 IonicContact NE-OD2 3.79Å; R78-D116 PolarHBondContact NE-OD2 3.31Å; R78-D116 IonicContact NH2-OD1 3.72Å; R78-D116 PolarHBondContact NH2-OD1 3.12Å; R78-D116 IonicContact NH2-OD2 3.77Å; R78-D116 PolarHBondContact NH2-OD2 2.94Å; F113-D116 WeakPolarHBondContact CE1-O 3.45Å; D116-W118 PolarHBondContact O-N 2.9Å; D116-W118 WeakPolarHBondContact OD1-CA 3.41Å; D116-W118 WeakPolarHBondContact OD1-CB 3.47Å; D116-W118 PolarHBondContact OD1-N 2.94Å; D116-D119 PolarHBondContact O-N 3.42Å; D116-D119 VanDerWaalsContact O-N 3.16Å; D116-L120 PolarHBondContact O-N 3.42Å
117A98.2Very high97Very high6 Ų654.2 Ų54.25%0.0526%0.257CS..Hα-helixtrans-61.3-29.3177.100000112.6V74 V77 R78 A110 L120 V121V74-A117 HydrophobicContact CG2-CB 3.98Å; V77-A117 HydrophobicContact CB-CB 4.39Å; V77-A117 HydrophobicContact CG1-CB 3.69Å; R78-A117 HydrophobicContact CG-CB 4.08Å; A110-A117 HydrophobicContact CB-CB 4.17Å; A117-L120 WeakPolarHBondContact O-CB 3.5Å; A117-L120 PolarHBondContact O-N 3.39Å; A117-V121 WeakPolarHBondContact O-CG2 3.4Å; A117-V121 PolarHBondContact O-N 3.41Å
118W98.3Very high96.8Very high17 Ų1761.6 Ų61.66%0.06429%0.292CS..Hα-helixtrans-70.3-36.9176.3-164.1-122.6000112.4V74 D116 L120 V121 L122 I153 N155 Q160 L162V74-W118 HydrophobicContact CB-CE3 4.01Å; V74-W118 HydrophobicContact CG1-CE3 4.41Å; V74-W118 HydrophobicContact CG2-CB 3.99Å; V74-W118 HydrophobicContact CG2-CE3 4.02Å; D116-W118 PolarHBondContact O-N 2.9Å; D116-W118 WeakPolarHBondContact OD1-CA 3.41Å; D116-W118 WeakPolarHBondContact OD1-CB 3.47Å; D116-W118 PolarHBondContact OD1-N 2.94Å; W118-L120 PolarHBondContact O-N 2.85Å; W118-V121 HydrophobicContact CD2-CB 4.46Å; W118-V121 HydrophobicContact CE3-CB 3.83Å; W118-V121 HydrophobicContact CE3-CG1 4.01Å; W118-V121 HydrophobicContact CE3-CG2 4.06Å; W118-V121 HydrophobicContact CH2-CG1 4.08Å; W118-V121 HydrophobicContact CZ3-CB 4Å; W118-V121 HydrophobicContact CZ3-CG1 3.63Å; W118-V121 HydrophobicContact CZ3-CG2 4.26Å; W118-V121 WeakPolarHBondContact O-CA 3.46Å; W118-V121 WeakPolarHBondContact O-CB 3.39Å; W118-V121 PolarHBondContact O-N 3.02Å; W118-L122 WeakPolarHBondContact O-CG 3.48Å; W118-L122 PolarHBondContact O-N 2.98Å; W118-I153 HydrophobicContact CE3-CG2 4.5Å; W118-I153 HydrophobicContact CZ3-CB 4.39Å; W118-I153 HydrophobicContact CZ3-CG2 4.1Å; W118-N155 HydrophobicContact CD2-CB 3.85Å; W118-N155 HydrophobicContact CE3-CB 3.81Å; W118-N155 HydrophobicContact CH2-CB 3.47Å; W118-N155 VanDerWaalsContact CH2-CB 3.47Å; W118-N155 HydrophobicContact CZ2-CB 3.5Å; W118-N155 HydrophobicContact CZ3-CB 3.62Å; W118-N155 PolarHBondContact NE1-ND2 3.15Å; W118-Q160 HydrophobicContact CH2-CB 4.09Å; W118-Q160 HydrophobicContact CZ2-CB 3.81Å; W118-L162 HydrophobicContact CH2-CB 4.16Å; W118-L162 HydrophobicContact CH2-CD1 3.98Å; W118-L162 HydrophobicContact CH2-CG 3.96Å; W118-L162 HydrophobicContact CZ2-CD1 3.75Å; W118-L162 HydrophobicContact CZ2-CG 4.19Å
119D98.1Very high96.7Very high79 Ų7963 Ų6342%0.42231%0.306SS..Hα-helixtrans-62.1-36.4176.3-62.7-36.4000111.2F113 D116 L122 Q123F113-D119 HydrophobicContact CE1-CB 4.05Å; F113-D119 HydrophobicContact CZ-CB 4.34Å; D116-D119 PolarHBondContact O-N 3.42Å; D116-D119 VanDerWaalsContact O-N 3.16Å; D119-L122 PolarHBondContact O-N 3Å; D119-Q123 WeakPolarHBondContact O-CG 3.46Å; D119-Q123 PolarHBondContact O-N 2.92Å; D119-Q123 VanDerWaalsContact O-N 3.15Å
120L97.9Very high96.6Very high0 Ų065 Ų650%033%0.327CS..Hα-helixtrans-62.4-41.9171.2178.168.6000112V106 A109 A110 F113 D116 A117 W118 Q123 Y127 T164 M169V106-L120 HydrophobicContact CG1-CD2 4.02Å; A109-L120 HydrophobicContact CB-CD2 3.72Å; A110-L120 HydrophobicContact CB-CD2 4.12Å; F113-L120 HydrophobicContact CB-CD1 4.47Å; F113-L120 HydrophobicContact CB-CD2 4.45Å; F113-L120 HydrophobicContact CD1-CB 3.82Å; F113-L120 HydrophobicContact CD2-CD1 4.04Å; F113-L120 HydrophobicContact CE1-CB 3.98Å; F113-L120 HydrophobicContact CE2-CD1 4.47Å; F113-L120 HydrophobicContact CG-CB 4.17Å; F113-L120 HydrophobicContact CG-CD1 4.11Å; F113-L120 HydrophobicContact CZ-CB 4.47Å; D116-L120 PolarHBondContact O-N 3.42Å; A117-L120 WeakPolarHBondContact O-CB 3.5Å; A117-L120 PolarHBondContact O-N 3.39Å; W118-L120 PolarHBondContact O-N 2.85Å; L120-Q123 WeakPolarHBondContact O-CB 3.36Å; L120-Q123 PolarHBondContact O-N 3.09Å; L120-Y127 HydrophobicContact CD1-CD1 3.72Å; L120-Y127 HydrophobicContact CD1-CD2 3.54Å; L120-Y127 HydrophobicContact CD1-CE1 4.18Å; L120-Y127 HydrophobicContact CD1-CE2 4.04Å; L120-Y127 HydrophobicContact CD1-CG 3.35Å; L120-T164 PolarHBondContact O-OG1 3.26Å; L120-M169 HydrophobicContact CD1-CE 4.39Å; L120-M169 HydrophobicContact CD2-CE 4.11Å; L120-M169 HydrophobicContact CG-CE 4.34Å
121V98.1Very high96.6Very high1 Ų166 Ų661%0.00633%0.334CS..Hα-helixtrans-64.8-43.1176.71760000110.8V106 A117 W118 Q123 R124 I153 L162 T164V106-V121 HydrophobicContact CG1-CG2 4.15Å; A117-V121 WeakPolarHBondContact O-CG2 3.4Å; A117-V121 PolarHBondContact O-N 3.41Å; W118-V121 HydrophobicContact CD2-CB 4.46Å; W118-V121 HydrophobicContact CE3-CB 3.83Å; W118-V121 HydrophobicContact CE3-CG1 4.01Å; W118-V121 HydrophobicContact CE3-CG2 4.06Å; W118-V121 HydrophobicContact CH2-CG1 4.08Å; W118-V121 HydrophobicContact CZ3-CB 4Å; W118-V121 HydrophobicContact CZ3-CG1 3.63Å; W118-V121 HydrophobicContact CZ3-CG2 4.26Å; W118-V121 WeakPolarHBondContact O-CA 3.46Å; W118-V121 WeakPolarHBondContact O-CB 3.39Å; W118-V121 PolarHBondContact O-N 3.02Å; V121-Q123 PolarHBondContact O-N 3.24Å; V121-R124 PolarHBondContact O-N 3.22Å; V121-I153 HydrophobicContact CG1-CB 4.49Å; V121-I153 HydrophobicContact CG2-CB 3.96Å; V121-I153 HydrophobicContact CG2-CG1 4.05Å; V121-I153 HydrophobicContact CG2-CG2 4.31Å; V121-L162 HydrophobicContact CG1-CB 3.83Å; V121-T164 HydrophobicContact CG1-CG2 4.44Å; V121-T164 HydrophobicContact CG2-CG2 4.14Å
122L96.9Very high96.6Very high81 Ų8165.7 Ų65.742%0.42433%0.332SS..Hα-helixtrans-62.7-24.3177.8-69.2173.4000113.2W118 D119 R124 L162W118-L122 WeakPolarHBondContact O-CG 3.48Å; W118-L122 PolarHBondContact O-N 2.98Å; D119-L122 PolarHBondContact O-N 3Å; L122-R124 PolarHBondContact O-N 2.95Å; L122-L162 HydrophobicContact CD2-CD1 3.89Å
123Q94.9Very high96.6Very high63 Ų6361.1 Ų61.129%0.29432%0.315SS..THydrogen-bonded Turntrans-68.7-8.7171.8-73.2178.930.800113.9F113 D119 L120 V121 R125 K126F113-Q123 VanDerWaalsContact CE2-NE2 3.29Å; F113-Q123 VanDerWaalsContact CZ-NE2 3.3Å; D119-Q123 WeakPolarHBondContact O-CG 3.46Å; D119-Q123 PolarHBondContact O-N 2.92Å; D119-Q123 VanDerWaalsContact O-N 3.15Å; L120-Q123 WeakPolarHBondContact O-CB 3.36Å; L120-Q123 PolarHBondContact O-N 3.09Å; V121-Q123 PolarHBondContact O-N 3.24Å; Q123-R125 PolarHBondContact O-N 2.78Å; Q123-K126 HydrophobicContact CB-CB 4.37Å; Q123-K126 VanDerWaalsContact O-CB 3.26Å; Q123-K126 WeakPolarHBondContact O-CB 3.34Å; Q123-K126 WeakPolarHBondContact O-CG 3.38Å; Q123-K126 PolarHBondContact O-N 2.79Å
124R93Very high96.7Very high78 Ų7859.9 Ų59.929%0.29431%0.31SS..THydrogen-bonded Turntrans54.1-108.8-179-53.9-59.5-169145.711.7111.1V121 L122 G163 T164 G165 H365V121-R124 PolarHBondContact O-N 3.22Å; L122-R124 PolarHBondContact O-N 2.95Å; R124-G163 WeakPolarHBondContact CD-O 3.08Å; R124-G163 PolarHBondContact NH1-O 2.87Å; R124-T164 CarbonylContact O-C 3.57Å; R124-T164 WeakPolarHBondContact O-CA 3.27Å; R124-T164 PolarHBondContact O-OG1 2.6Å; R124-G165 PolarHBondContact O-N 3.23Å; R124-H365 PolarHBondContact NH2-O 3.09Å
125R92.6Very high96.9Very high173 Ų17351 Ų5165%0.65327%0.268SS*.THydrogen-bonded Turntrans-104.511.9178.1-68.2-174173-131.51.3114.6Q123 G165Q123-R125 PolarHBondContact O-N 2.78Å; R125-G165 WeakPolarHBondContact CA-O 3.4Å
126K94.2Very high97Very high171 Ų17148.9 Ų48.974%0.74325%0.247SC*.  trans-82.2-17.6-176.3-62.2178-178.6176.80113.5Q123 Q128Q123-K126 HydrophobicContact CB-CB 4.37Å; Q123-K126 VanDerWaalsContact O-CB 3.26Å; Q123-K126 WeakPolarHBondContact O-CB 3.34Å; Q123-K126 WeakPolarHBondContact O-CG 3.38Å; Q123-K126 PolarHBondContact O-N 2.79Å; K126-Q128 PolarHBondContact O-N 3.09Å
127Y95.6Very high97.1Very high16 Ų1646.5 Ų46.56%0.06323%0.234CC..  trans-65115.8179.9179.9-115.4000111.9A109 F113 L120 G129 G130 S166 M169A109-Y127 HydrophobicContact CB-CD1 4.34Å; A109-Y127 HydrophobicContact CB-CE1 3.81Å; F113-Y127 HydrophobicContact CB-CE2 4.44Å; F113-Y127 HydrophobicContact CD2-CD2 4Å; F113-Y127 AromaticContact CD2-CE2 3.68Å; F113-Y127 HydrophobicContact CD2-CE2 3.68Å; F113-Y127 HydrophobicContact CE2-CD2 4.45Å; F113-Y127 HydrophobicContact CE2-CE2 4.49Å; F113-Y127 HydrophobicContact CG-CE2 4.49Å; L120-Y127 HydrophobicContact CD1-CD1 3.72Å; L120-Y127 HydrophobicContact CD1-CD2 3.54Å; L120-Y127 HydrophobicContact CD1-CE1 4.18Å; L120-Y127 HydrophobicContact CD1-CE2 4.04Å; L120-Y127 HydrophobicContact CD1-CG 3.35Å; Y127-G129 VanDerWaalsContact CE1-O 3.29Å; Y127-G129 WeakPolarHBondContact CE1-O 3.48Å; Y127-G129 VanDerWaalsContact CZ-C 3.44Å; Y127-G129 VanDerWaalsContact OH-C 3.31Å; Y127-G129 WeakPolarHBondContact OH-CA 3.33Å; Y127-G130 WeakPolarHBondContact CE1-O 3.48Å; Y127-G130 PolarHBondContact OH-N 3.02Å; Y127-G130 PolarHBondContact OH-O 3.15Å; Y127-S166 WeakPolarHBondContact O-CB 3.24Å; Y127-S166 PolarHBondContact O-OG 3.14Å; Y127-M169 HydrophobicContact CD1-CE 4.22Å
128Q95Very high97.1Very high156 Ų15646.2 Ų46.273%0.72923%0.232SC*.  trans-105.63.9177.9-60.3-56.2-48.900113.3K126K126-Q128 PolarHBondContact O-N 3.09Å
129G96.5Very high97.1Very high30 Ų3046 Ų4631%0.30923%0.232SC..SBendtrans-77.6175.3-179.100000113.6Y127 S168Y127-G129 VanDerWaalsContact CE1-O 3.29Å; Y127-G129 WeakPolarHBondContact CE1-O 3.48Å; Y127-G129 VanDerWaalsContact CZ-C 3.44Å; Y127-G129 VanDerWaalsContact OH-C 3.31Å; Y127-G129 WeakPolarHBondContact OH-CA 3.33Å; G129-S168 VanDerWaalsContact O-CB 3.27Å; G129-S168 WeakPolarHBondContact O-CB 3.31Å; G129-S168 PolarHBondContact O-OG 2.79Å
130G97.5Very high97.1Very high42 Ų4244 Ų4443%0.43322%0.222SC..  trans-73.1168.6178.400000113.6K112 Y127K112-G130 WeakPolarHBondContact CB-O 3.18Å; Y127-G130 WeakPolarHBondContact CE1-O 3.48Å; Y127-G130 PolarHBondContact OH-N 3.02Å; Y127-G130 PolarHBondContact OH-O 3.15Å
131A98.6Very high97.1Very high22 Ų2244.7 Ų44.718%0.18223%0.227CC..  trans-139.9156.516900000108.2A108 A109 S168A108-A131 HydrophobicContact CB-CB 3.98Å; A108-A131 VanDerWaalsContact O-CA 3.3Å; A108-A131 WeakPolarHBondContact O-CA 3.49Å; A109-A131 HydrophobicContact CB-CB 4.12Å; A131-S168 WeakPolarHBondContact CB-O 3.48Å
132L98.8Very high97.1Very high10 Ų1045 Ų455%0.05223%0.229CC..  trans-59.6148.1165.8-69.6-179.4000110.3C84 V89 I92 A108 T111 L134C84-L132 HydrophobicContact CB-CD1 3.99Å; V89-L132 HydrophobicContact CB-CD1 4.31Å; V89-L132 HydrophobicContact CG1-CD1 4.12Å; V89-L132 WeakPolarHBondContact O-CD2 3.42Å; I92-L132 HydrophobicContact CD1-CB 4.46Å; I92-L132 HydrophobicContact CD1-CD1 4.3Å; I92-L132 HydrophobicContact CG1-CB 4.32Å; I92-L132 HydrophobicContact CG1-CD1 4.19Å; A108-L132 HydrophobicContact CB-CB 4.24Å; A108-L132 WeakPolarHBondContact CB-O 3.32Å; A108-L132 PolarHBondContact O-N 3.11Å; T111-L132 HydrophobicContact CG2-CD1 3.84Å; T111-L132 HydrophobicContact CG2-CG 4.09Å; L132-L134 PolarHBondContact O-N 3.23Å
133P98.8Very high97.2Very high26 Ų2642.4 Ų42.417%0.16922%0.217CC..  trans-58.9138.3171.424.6-31.6000110.2Y29 D90 V91 I92 K172Y29-P133 HydrophobicContact CD1-CB 3.45Å; Y29-P133 VanDerWaalsContact CD1-CB 3.45Å; Y29-P133 HydrophobicContact CD1-CG 3.73Å; Y29-P133 HydrophobicContact CE1-CB 3.86Å; Y29-P133 HydrophobicContact CG-CB 3.84Å; Y29-P133 HydrophobicContact CG-CG 3.89Å; D90-P133 VanDerWaalsContact O-CD 3.24Å; D90-P133 WeakPolarHBondContact O-CD 3.37Å; D90-P133 VanDerWaalsContact O-CG 3.22Å; D90-P133 WeakPolarHBondContact O-CG 3.4Å; V91-P133 HydrophobicContact CB-CG 4.04Å; V91-P133 HydrophobicContact CG2-CB 4.25Å; V91-P133 HydrophobicContact CG2-CG 4.08Å; V91-P133 WeakPolarHBondContact CG2-O 3.39Å; I92-P133 PolarHBondContact N-O 2.93Å; P133-K172 HydrophobicContact CB-CG 4.05Å
134L98.9Very high97.3Very high3 Ų339.4 Ų39.42%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-118.4124.1-179.2174.561.3000109.4I92 A94 A104 K105 L132 T136 P171 K172I92-L134 HydrophobicContact CB-CD1 4.04Å; I92-L134 HydrophobicContact CG2-CD1 3.89Å; A94-L134 HydrophobicContact CB-CD1 4.03Å; A104-L134 HydrophobicContact CB-CD1 3.77Å; K105-L134 HydrophobicContact CB-CD2 4.37Å; K105-L134 HydrophobicContact CG-CD2 3.5Å; K105-L134 VanDerWaalsContact CG-CD2 3.5Å; L132-L134 PolarHBondContact O-N 3.23Å; L134-T136 HydrophobicContact CD1-CG2 4.26Å; L134-T136 HydrophobicContact CD2-CG2 4.26Å; L134-T136 HydrophobicContact CG-CG2 3.96Å; L134-P171 HydrophobicContact CD2-CG 3.99Å; L134-P171 HydrophobicContact CG-CB 4.48Å; L134-P171 HydrophobicContact CG-CG 4.44Å; L134-P171 CarbonylContact O-C 3.55Å; L134-P171 WeakPolarHBondContact O-CA 3.41Å; L134-K172 PolarHBondContact O-N 3.15Å
135V98.9Very high97.6Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-109.8139.6168.7179.30000107.9L22 V25 L26 Y29 V91 I92 L93 A94 V173 F175L22-V135 HydrophobicContact CD1-CG1 4.2Å; V25-V135 HydrophobicContact CG1-CG1 3.99Å; V25-V135 HydrophobicContact CG1-CG2 3.8Å; L26-V135 HydrophobicContact CD2-CB 4.48Å; L26-V135 HydrophobicContact CD2-CG2 4.22Å; Y29-V135 HydrophobicContact CD2-CG2 4.24Å; Y29-V135 HydrophobicContact CE2-CG2 3.99Å; V91-V135 HydrophobicContact CG2-CG2 4.12Å; I92-V135 PolarHBondContact O-N 2.82Å; L93-V135 CarbonylContact C-O 3.43Å; L93-V135 WeakPolarHBondContact CA-O 3.47Å; L93-V135 HydrophobicContact CD1-CB 4.05Å; L93-V135 HydrophobicContact CD1-CG1 3.82Å; A94-V135 PolarHBondContact N-O 3.46Å; V135-V173 CarbonylContact C-O 3.12Å; V135-V173 VanDerWaalsContact CA-O 3.28Å; V135-V173 WeakPolarHBondContact CA-O 3.33Å; V135-V173 HydrophobicContact CG1-CB 4.37Å; V135-F175 HydrophobicContact CG1-CD2 4.27Å; V135-F175 HydrophobicContact CG1-CE2 4.04Å
136T98.9Very high97.9Very high0 Ų027.6 Ų27.60%016%0.159CC..EExtended strand (participates in β ladder)trans-124.5148.9-178.579.20000112.4A94 I101 L134 P171 V173 S174 F175A94-T136 HydrophobicContact CB-CG2 4.31Å; A94-T136 CarbonylContact O-C 3.44Å; A94-T136 WeakPolarHBondContact O-CA 3.36Å; I101-T136 HydrophobicContact CD1-CG2 4.31Å; I101-T136 HydrophobicContact CG1-CG2 4.16Å; I101-T136 HydrophobicContact CG2-CG2 3.88Å; L134-T136 HydrophobicContact CD1-CG2 4.26Å; L134-T136 HydrophobicContact CD2-CG2 4.26Å; L134-T136 HydrophobicContact CG-CG2 3.96Å; T136-P171 HydrophobicContact CG2-CB 3.91Å; T136-P171 HydrophobicContact CG2-CG 3.89Å; T136-V173 PolarHBondContact N-O 3.15Å; T136-S174 CarbonylContact O-C 3.57Å; T136-S174 WeakPolarHBondContact O-CA 3.1Å; T136-S174 WeakPolarHBondContact OG1-CB 3.34Å; T136-S174 PolarHBondContact OG1-OG 3.06Å; T136-F175 PolarHBondContact O-N 2.68Å
137I98.9Very high98.1Very high2 Ų220.6 Ų20.61%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-124.3107.7166.8-57.2175000106.3L19 L22 L47 V51 L93 A94 V95 G96 F175L19-I137 HydrophobicContact CD1-CD1 3.69Å; L22-I137 HydrophobicContact CD2-CD1 4.29Å; L47-I137 HydrophobicContact CD2-CG2 4.26Å; V51-I137 HydrophobicContact CG2-CD1 3.7Å; L93-I137 HydrophobicContact CD1-CD1 4.16Å; L93-I137 HydrophobicContact CD1-CG1 4.15Å; A94-I137 PolarHBondContact O-N 2.92Å; V95-I137 HydrophobicContact CG1-CB 4.1Å; V95-I137 HydrophobicContact CG1-CG2 4.29Å; V95-I137 HydrophobicContact CG2-CB 4.35Å; V95-I137 HydrophobicContact CG2-CD1 4.04Å; V95-I137 HydrophobicContact CG2-CG1 4.45Å; G96-I137 PolarHBondContact N-O 3.39Å; G96-I137 VanDerWaalsContact N-O 3.09Å; I137-F175 HydrophobicContact CB-CB 4.44Å; I137-F175 HydrophobicContact CG1-CB 4.07Å; I137-F175 HydrophobicContact CG1-CD2 4.17Å; I137-F175 HydrophobicContact CG1-CG 4.38Å; I137-F175 HydrophobicContact CG2-CB 4.42Å
138L98.7Very high98.2Very high0 Ų020.6 Ų20.60%013%0.13CC..EExtended strand (participates in β ladder)trans-77.9137.4-174.7-17169000111I101 L140 E146 F175 L176 N180 M246I101-L138 HydrophobicContact CD1-CD1 3.68Å; L138-L140 VanDerWaalsContact CD1-O 3.3Å; L138-L140 WeakPolarHBondContact CD1-O 3.22Å; L138-E146 HydrophobicContact CD1-CB 4.43Å; L138-E146 HydrophobicContact CD2-CG 4.04Å; L138-F175 PolarHBondContact N-O 3.42Å; L138-L176 HydrophobicContact CB-CG 4.44Å; L138-L176 HydrophobicContact CD2-CG 4.27Å; L138-N180 PolarHBondContact O-ND2 2.74Å; L138-M246 HydrophobicContact CD2-CE 4.27Å; L138-M246 HydrophobicContact CD2-CG 3.87Å; L138-M246 HydrophobicContact CD2-SD 4.33Å
139T98.4Very high98.3Very high12 Ų1214.5 Ų14.57%0.07411%0.105CC..  trans-128.8-1.7179.564.90000113.9I42 L47 G96 G97 N180 V184I42-T139 HydrophobicContact CG2-CG2 4.13Å; L47-T139 HydrophobicContact CD2-CG2 3.71Å; G96-T139 WeakPolarHBondContact CA-OG1 3.48Å; G96-T139 PolarHBondContact O-N 3.26Å; G96-T139 PolarHBondContact O-OG1 3.06Å; G97-T139 PolarHBondContact N-OG1 2.87Å; T139-N180 HydrophobicContact CG2-CB 4.25Å; T139-V184 WeakPolarHBondContact O-CG2 3.45Å
140L97.9Very high98.3Very high39 Ų3913.7 Ų13.720%0.20410%0.097CC..  trans-147.5128.5177.2178.965.7000109.8L138 A142 V184L138-L140 VanDerWaalsContact CD1-O 3.3Å; L138-L140 WeakPolarHBondContact CD1-O 3.22Å; L140-A142 HydrophobicContact CG-CB 4.5Å; L140-V184 HydrophobicContact CD1-CB 4.46Å; L140-V184 HydrophobicContact CD1-CG1 3.57Å; L140-V184 HydrophobicContact CD1-CG2 4.02Å
141A98.7Very high98.3Very high14 Ų1411.8 Ų11.812%0.1168%0.077CC..  trans-84.2115.9172.700000109.9G192 I196 L245 M246A141-G192 WeakPolarHBondContact O-CA 3.36Å; A141-I196 HydrophobicContact CB-CD1 4.47Å; A141-L245 HydrophobicContact CB-CB 4.35Å; A141-M246 HydrophobicContact CB-CB 4.36Å
142A98.5Very high98.3Very high6 Ų612.3 Ų12.35%0.058%0.078CC..SBendtrans-163.3-69.6178.200000111.9L140 D195 I196L140-A142 HydrophobicContact CG-CB 4.5Å; A142-D195 HydrophobicContact CB-CB 4.35Å; A142-I196 WeakPolarHBondContact O-CG1 3.01Å
143T97.8Very high98.3Very high27 Ų2711.8 Ų11.817%0.1668%0.075CC..SBendtrans-93.9-13-161.3640000115.4G98 S145 N148 D195 L253G98-T143 VanDerWaalsContact CA-OG1 3.29Å; G98-T143 WeakPolarHBondContact CA-OG1 3.19Å; T143-S145 WeakPolarHBondContact CB-OG 3.12Å; T143-S145 PolarHBondContact O-N 2.88Å; T143-S145 VanDerWaalsContact O-N 3.15Å; T143-S145 VanDerWaalsContact OG1-CB 3.28Å; T143-S145 WeakPolarHBondContact OG1-CB 3.38Å; T143-S145 PolarHBondContact OG1-N 2.75Å; T143-S145 PolarHBondContact OG1-OG 2.82Å; T143-N148 PolarHBondContact O-ND2 3.18Å; T143-N148 VanDerWaalsContact O-ND2 3.17Å; T143-D195 WeakPolarHBondContact CG2-OD2 3.48Å; T143-L253 VanDerWaalsContact O-CD2 3.26Å; T143-L253 WeakPolarHBondContact O-CD2 3.42Å
144G98.1Very high98.3Very high0 Ų010.8 Ų10.80%07%0.069CC..  trans63.314.3-170.300000114.1E146 M147 N148 S249G144-E146 WeakPolarHBondContact CA-OE1 3.16Å; G144-E146 WeakPolarHBondContact CA-OE2 3.5Å; G144-E146 PolarHBondContact O-N 2.86Å; G144-E146 VanDerWaalsContact O-N 3.09Å; G144-M147 PolarHBondContact O-N 3.3Å; G144-N148 PolarHBondContact O-N 3.47Å; G144-N148 PolarHBondContact O-ND2 3.47Å; G144-S249 WeakPolarHBondContact CA-O 3.41Å
145S98.6Very high98.2Very high3 Ų311.1 Ų11.12%0.0217%0.071CC..G310 helixtrans-56.9-27.6-174.9-70.60000112.9D102 K105 T143 M147 N148D102-S145 VanDerWaalsContact OD1-CB 3.24Å; D102-S145 WeakPolarHBondContact OD1-CB 3.36Å; D102-S145 PolarHBondContact OD1-OG 3.31Å; K105-S145 WeakPolarHBondContact CE-O 3.46Å; K105-S145 VanDerWaalsContact NZ-CA 3.31Å; K105-S145 PolarHBondContact NZ-O 2.8Å; T143-S145 WeakPolarHBondContact CB-OG 3.12Å; T143-S145 PolarHBondContact O-N 2.88Å; T143-S145 VanDerWaalsContact O-N 3.15Å; T143-S145 VanDerWaalsContact OG1-CB 3.28Å; T143-S145 WeakPolarHBondContact OG1-CB 3.38Å; T143-S145 PolarHBondContact OG1-N 2.75Å; T143-S145 PolarHBondContact OG1-OG 2.82Å; S145-M147 PolarHBondContact O-N 2.63Å; S145-N148 PolarHBondContact N-ND2 2.79Å
146E98.7Very high97.9Very high1 Ų115 Ų151%0.0059%0.091CC..G310 helixtrans-65.5-14.8175.572.3-71.6170.800114.4T10 I101 L138 G144 S174 L176 T250T10-E146 WeakPolarHBondContact CG2-O 3.41Å; I101-E146 HydrophobicContact CD1-CB 4.04Å; L138-E146 HydrophobicContact CD1-CB 4.43Å; L138-E146 HydrophobicContact CD2-CG 4.04Å; G144-E146 WeakPolarHBondContact CA-OE1 3.16Å; G144-E146 WeakPolarHBondContact CA-OE2 3.5Å; G144-E146 PolarHBondContact O-N 2.86Å; G144-E146 VanDerWaalsContact O-N 3.09Å; E146-S174 WeakPolarHBondContact O-CB 3.36Å; E146-S174 PolarHBondContact O-OG 2.87Å; E146-L176 HydrophobicContact CB-CD1 4.46Å; E146-L176 HydrophobicContact CG-CD1 3.88Å; E146-L176 HydrophobicContact CG-CD2 4.23Å; E146-L176 HydrophobicContact CG-CG 4.28Å; E146-T250 HydrophobicContact CG-CG2 4.36Å; E146-T250 VanDerWaalsContact OE1-CA 3.23Å; E146-T250 WeakPolarHBondContact OE1-CA 3.46Å; E146-T250 WeakPolarHBondContact OE1-CB 3.45Å; E146-T250 WeakPolarHBondContact OE1-CG2 3.36Å; E146-T250 PolarHBondContact OE1-OG1 3.2Å
147M98.5Very high97.5Very high24 Ų2419.1 Ų19.112%0.11813%0.125CC..G310 helixtrans-137.221.3-179.6-159.5-176.1-172.300112.6V8 I12 G144 S145 T250 N254V8-M147 HydrophobicContact CG1-CE 3.52Å; V8-M147 HydrophobicContact CG1-CG 3.56Å; V8-M147 HydrophobicContact CG1-SD 4.09Å; I12-M147 HydrophobicContact CD1-CB 4.38Å; I12-M147 HydrophobicContact CD1-CG 4.15Å; I12-M147 HydrophobicContact CD1-SD 4.17Å; I12-M147 HydrophobicContact CG1-CE 4.15Å; I12-M147 HydrophobicContact CG1-SD 4.16Å; G144-M147 PolarHBondContact O-N 3.3Å; S145-M147 PolarHBondContact O-N 2.63Å; M147-T250 HydrophobicContact CB-CG2 3.48Å; M147-T250 VanDerWaalsContact CB-CG2 3.48Å; M147-T250 HydrophobicContact CG-CG2 4.08Å; M147-T250 HydrophobicContact SD-CG2 3.5Å; M147-T250 VanDerWaalsContact SD-CG2 3.5Å; M147-N254 HydrophobicContact CB-CB 4.26Å; M147-N254 HydrophobicContact CG-CB 4.06Å; M147-N254 WeakPolarHBondContact O-CB 3.42Å; M147-N254 HydrophobicContact SD-CB 4.05Å
148N97.6Very high97.2Very high15 Ų1521.9 Ų21.98%0.0814%0.142CC..  trans-131.9165.3174.978.545.2000111.8K105 T143 G144 S145 G150 L170 P171 L253K105-N148 WeakPolarHBondContact CE-O 3.34Å; K105-N148 PolarHBondContact NZ-O 3.42Å; K105-N148 PolarHBondContact NZ-OD1 2.88Å; T143-N148 PolarHBondContact O-ND2 3.18Å; T143-N148 VanDerWaalsContact O-ND2 3.17Å; G144-N148 PolarHBondContact O-N 3.47Å; G144-N148 PolarHBondContact O-ND2 3.47Å; S145-N148 PolarHBondContact N-ND2 2.79Å; N148-G150 PolarHBondContact OD1-N 2.95Å; N148-G150 PolarHBondContact OD1-O 3.42Å; N148-L170 VanDerWaalsContact C-CD1 3.46Å; N148-P171 WeakPolarHBondContact O-CD 3.46Å; N148-L253 VanDerWaalsContact CB-O 3.26Å; N148-L253 WeakPolarHBondContact CB-O 3.14Å
149S96.7Very high96.7Very high28 Ų2826.6 Ų26.620%0.19616%0.164CC..SBendtrans-99.82.1-177.649.90000114.2G165 S166S149-G165 WeakPolarHBondContact O-CA 3.35Å; S149-S166 VanDerWaalsContact CB-O 3.23Å; S149-S166 WeakPolarHBondContact CB-O 3.29Å; S149-S166 PolarHBondContact O-N 3.32Å
150G96.9Very high96.5Very high14 Ų1427.7 Ų27.714%0.14417%0.168CC..EExtended strand (participates in β ladder)trans-87155.1178.200000111.8K105 N148 T164K105-G150 WeakPolarHBondContact CD-O 3.4Å; K105-G150 WeakPolarHBondContact CE-O 3.37Å; K105-G150 PolarHBondContact NZ-O 2.75Å; N148-G150 PolarHBondContact OD1-N 2.95Å; N148-G150 PolarHBondContact OD1-O 3.42Å; G150-T164 CarbonylContact C-O 3.57Å; G150-T164 WeakPolarHBondContact CA-O 3.46Å
151A98.4Very high96.4Very high2 Ų226.2 Ų26.22%0.01716%0.16CC..EExtended strand (participates in β ladder)trans-146.7148.4169.100000109.5D102 K105 V106 G163 T164D102-A151 HydrophobicContact CB-CB 3.81Å; D102-A151 WeakPolarHBondContact OD2-CA 3.43Å; K105-A151 HydrophobicContact CB-CB 4.22Å; K105-A151 HydrophobicContact CD-CB 4.14Å; V106-A151 HydrophobicContact CG2-CB 3.66Å; A151-G163 CarbonylContact O-C 3.56Å; A151-G163 WeakPolarHBondContact O-CA 3.44Å; A151-T164 HydrophobicContact CB-CG2 4.23Å; A151-T164 PolarHBondContact N-O 2.93Å; A151-T164 PolarHBondContact O-N 3.2Å; A151-T164 VanDerWaalsContact O-O 3.14Å
152V98.1Very high96.3Very high32 Ų3225.7 Ų25.719%0.19416%0.155CC..EExtended strand (participates in β ladder)trans-115.1125173.3-176.30000109.5P72 D102 K161 L162P72-V152 VanDerWaalsContact CG-O 3.24Å; P72-V152 WeakPolarHBondContact CG-O 3.43Å; D102-V152 PolarHBondContact OD2-N 3.36Å; V152-K161 HydrophobicContact CG1-CD 4.18Å; V152-K161 HydrophobicContact CG1-CG 3.45Å; V152-K161 VanDerWaalsContact CG1-CG 3.45Å; V152-L162 WeakPolarHBondContact CA-O 3.1Å
153I98.4Very high96.2Very high0 Ų026.5 Ų26.50%017%0.165CC..EExtended strand (participates in β ladder)trans-123.9139.2-179.1-58-61.7000110.2P72 V74 V77 V106 W118 V121 L162P72-I153 HydrophobicContact CB-CD1 4.26Å; P72-I153 HydrophobicContact CG-CD1 4.04Å; V74-I153 HydrophobicContact CB-CG2 3.95Å; V77-I153 HydrophobicContact CG2-CD1 3.85Å; V77-I153 HydrophobicContact CG2-CG1 4.47Å; V77-I153 HydrophobicContact CG2-CG2 4.41Å; V106-I153 HydrophobicContact CB-CD1 4.23Å; V106-I153 HydrophobicContact CB-CG1 4.18Å; V106-I153 HydrophobicContact CG1-CG1 4.4Å; V106-I153 HydrophobicContact CG2-CD1 3.86Å; V106-I153 HydrophobicContact CG2-CG1 3.6Å; W118-I153 HydrophobicContact CE3-CG2 4.5Å; W118-I153 HydrophobicContact CZ3-CB 4.39Å; W118-I153 HydrophobicContact CZ3-CG2 4.1Å; V121-I153 HydrophobicContact CG1-CB 4.49Å; V121-I153 HydrophobicContact CG2-CB 3.96Å; V121-I153 HydrophobicContact CG2-CG1 4.05Å; V121-I153 HydrophobicContact CG2-CG2 4.31Å; I153-L162 PolarHBondContact N-O 3.06Å; I153-L162 PolarHBondContact O-N 2.94Å
154S97.9Very high96.2Very high5 Ų525.4 Ų25.44%0.03516%0.158CC..EExtended strand (participates in β ladder)trans-96.4143.4175.6-62.10000112.3P72 R73 V74 Q160P72-S154 PolarHBondContact O-N 3.02Å; R73-S154 WeakPolarHBondContact CA-O 3.29Å; V74-S154 PolarHBondContact N-O 3.33Å; S154-Q160 CarbonylContact C-O 3.55Å; S154-Q160 VanDerWaalsContact CA-O 3.29Å; S154-Q160 WeakPolarHBondContact CA-O 3.46Å
155N96.9Very high96.1Very high10 Ų1025.5 Ų25.55%0.05316%0.158CC..EExtended strand (participates in β ladder)trans-124.5108168.3-178-13.6000108.8V74 W118 A157 T158 H159 Q160V74-N155 HydrophobicContact CG1-CB 4.08Å; W118-N155 HydrophobicContact CD2-CB 3.85Å; W118-N155 HydrophobicContact CE3-CB 3.81Å; W118-N155 HydrophobicContact CH2-CB 3.47Å; W118-N155 VanDerWaalsContact CH2-CB 3.47Å; W118-N155 HydrophobicContact CZ2-CB 3.5Å; W118-N155 HydrophobicContact CZ3-CB 3.62Å; W118-N155 PolarHBondContact NE1-ND2 3.15Å; N155-A157 VanDerWaalsContact C-N 3.29Å; N155-A157 PolarHBondContact O-N 3.08Å; N155-A157 WeakPolarHBondContact OD1-CB 3.47Å; N155-A157 PolarHBondContact OD1-N 3.15Å; N155-T158 WeakPolarHBondContact CB-OG1 3.48Å; N155-T158 PolarHBondContact ND2-OG1 2.93Å; N155-T158 PolarHBondContact O-N 3.11Å; N155-H159 PolarHBondContact O-N 3.33Å; N155-Q160 PolarHBondContact N-O 3.33Å; N155-Q160 PolarHBondContact O-N 3.32Å; N155-Q160 VanDerWaalsContact O-N 3.12Å
156L92.4Very high96Very high81 Ų8125.8 Ų25.842%0.42416%0.161SC..THydrogen-bonded Turntrans-69.4-28.3-177.4-62.2-174.7000112.9T158L156-T158 PolarHBondContact O-N 3.27Å
157A92.5Very high95.8Very high87 Ų8731.6 Ų31.672%0.71919%0.186SC*.THydrogen-bonded Turntrans-69.6-25.6-179.700000112.2N155N155-A157 VanDerWaalsContact C-N 3.29Å; N155-A157 PolarHBondContact O-N 3.08Å; N155-A157 WeakPolarHBondContact OD1-CB 3.47Å; N155-A157 PolarHBondContact OD1-N 3.15Å
158T91.2Very high95.7Very high60 Ų6031.6 Ų31.637%0.36819%0.188SC..THydrogen-bonded Turntrans-110.50.4179.161.10000113.5N155 L156 Q160N155-T158 WeakPolarHBondContact CB-OG1 3.48Å; N155-T158 PolarHBondContact ND2-OG1 2.93Å; N155-T158 PolarHBondContact O-N 3.11Å; L156-T158 PolarHBondContact O-N 3.27Å; T158-Q160 PolarHBondContact O-N 3.2Å; T158-Q160 PolarHBondContact OG1-OE1 3.31Å
159H89.3Confident95.8Very high98 Ų9831 Ų3145%0.45419%0.185SC..THydrogen-bonded Turntrans52.739.8-172.7-63.5-79.9000113.4N155 A276N155-H159 PolarHBondContact O-N 3.33Å; H159-A276 WeakPolarHBondContact O-CB 3.3Å
160Q94.4Very high95.8Very high36 Ų3629.9 Ų29.917%0.16818%0.177CC..EExtended strand (participates in β ladder)trans-115.7138.8-176.9-73.7173.5-40.100111.5W118 S154 N155 T158 L162 H365W118-Q160 HydrophobicContact CH2-CB 4.09Å; W118-Q160 HydrophobicContact CZ2-CB 3.81Å; S154-Q160 CarbonylContact C-O 3.55Å; S154-Q160 VanDerWaalsContact CA-O 3.29Å; S154-Q160 WeakPolarHBondContact CA-O 3.46Å; N155-Q160 PolarHBondContact N-O 3.33Å; N155-Q160 PolarHBondContact O-N 3.32Å; N155-Q160 VanDerWaalsContact O-N 3.12Å; T158-Q160 PolarHBondContact O-N 3.2Å; T158-Q160 PolarHBondContact OG1-OE1 3.31Å; Q160-L162 HydrophobicContact CB-CD1 4.34Å; Q160-L162 HydrophobicContact CB-CD2 4.35Å; Q160-L162 HydrophobicContact CB-CG 4.05Å; Q160-H365 PolarHBondContact NE2-NE2 3.32Å
161K95.8Very high95.9Very high7 Ų729.2 Ų29.23%0.0317%0.17CC..EExtended strand (participates in β ladder)trans-124.8103.9168.6179.2175170.4-176.10109.2N71 V152 E271 H272 S275 A276N71-K161 WeakPolarHBondContact OD1-CE 3.24Å; N71-K161 PolarHBondContact OD1-NZ 3.24Å; V152-K161 HydrophobicContact CG1-CD 4.18Å; V152-K161 HydrophobicContact CG1-CG 3.45Å; V152-K161 VanDerWaalsContact CG1-CG 3.45Å; K161-E271 IonicContact NZ-OE2 3.18Å; K161-H272 HydrophobicContact CB-CB 4.33Å; K161-H272 HydrophobicContact CG-CB 4.45Å; K161-H272 PolarHBondContact O-ND1 3.2Å; K161-S275 VanDerWaalsContact NZ-CB 3.31Å; K161-S275 PolarHBondContact NZ-OG 3Å; K161-A276 HydrophobicContact CB-CB 4.11Å
162L96.3Very high95.9Very high3 Ų332.4 Ų32.42%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-120.8134.6-164.8-60.5-172.1000112.2W118 V121 L122 V152 I153 Q160 H365W118-L162 HydrophobicContact CH2-CB 4.16Å; W118-L162 HydrophobicContact CH2-CD1 3.98Å; W118-L162 HydrophobicContact CH2-CG 3.96Å; W118-L162 HydrophobicContact CZ2-CD1 3.75Å; W118-L162 HydrophobicContact CZ2-CG 4.19Å; V121-L162 HydrophobicContact CG1-CB 3.83Å; L122-L162 HydrophobicContact CD2-CD1 3.89Å; V152-L162 WeakPolarHBondContact CA-O 3.1Å; I153-L162 PolarHBondContact N-O 3.06Å; I153-L162 PolarHBondContact O-N 2.94Å; Q160-L162 HydrophobicContact CB-CD1 4.34Å; Q160-L162 HydrophobicContact CB-CD2 4.35Å; Q160-L162 HydrophobicContact CB-CG 4.05Å; L162-H365 HydrophobicContact CD2-CB 4.09Å
163G96.3Very high96Very high24 Ų2431 Ų3125%0.24718%0.175CC..EExtended strand (participates in β ladder)trans-73.3137.116800000112.3R124 A151R124-G163 WeakPolarHBondContact CD-O 3.08Å; R124-G163 PolarHBondContact NH1-O 2.87Å; A151-G163 CarbonylContact O-C 3.56Å; A151-G163 WeakPolarHBondContact O-CA 3.44Å
164T97.6Very high96Very high4 Ų431 Ų313%0.02518%0.175CC..EExtended strand (participates in β ladder)trans-133.9168.9170.4-173.20000109.5V106 L120 V121 R124 G150 A151V106-T164 HydrophobicContact CG2-CG2 3.81Å; L120-T164 PolarHBondContact O-OG1 3.26Å; V121-T164 HydrophobicContact CG1-CG2 4.44Å; V121-T164 HydrophobicContact CG2-CG2 4.14Å; R124-T164 CarbonylContact O-C 3.57Å; R124-T164 WeakPolarHBondContact O-CA 3.27Å; R124-T164 PolarHBondContact O-OG1 2.6Å; G150-T164 CarbonylContact C-O 3.57Å; G150-T164 WeakPolarHBondContact CA-O 3.46Å; A151-T164 HydrophobicContact CB-CG2 4.23Å; A151-T164 PolarHBondContact N-O 2.93Å; A151-T164 PolarHBondContact O-N 3.2Å; A151-T164 VanDerWaalsContact O-O 3.14Å
165G96.2Very high96Very high1 Ų131.1 Ų31.11%0.0118%0.175CC..EExtended strand (participates in β ladder)trans179.5156.6173.300000114R124 R125 S149R124-G165 PolarHBondContact O-N 3.23Å; R125-G165 WeakPolarHBondContact CA-O 3.4Å; S149-G165 WeakPolarHBondContact O-CA 3.35Å
166S95.9Very high96.1Very high10 Ų1030.6 Ų30.67%0.0717%0.172CC..  trans-155.5150.4174.5-177.60000110.5Y127 S149 S168 M169Y127-S166 WeakPolarHBondContact O-CB 3.24Å; Y127-S166 PolarHBondContact O-OG 3.14Å; S149-S166 VanDerWaalsContact CB-O 3.23Å; S149-S166 WeakPolarHBondContact CB-O 3.29Å; S149-S166 PolarHBondContact O-N 3.32Å; S166-S168 PolarHBondContact O-N 3.03Å; S166-S168 VanDerWaalsContact O-N 3.08Å; S166-S168 PolarHBondContact OG-OG 2.9Å; S166-M169 WeakPolarHBondContact O-CB 3.18Å; S166-M169 PolarHBondContact O-N 3.43Å
167K95.1Very high96.4Very high123 Ų12327.8 Ų27.854%0.53516%0.157SC..G310 helixtrans-53.7-31.9175.1-67.7-176.6179.5-179.20111.6D5 M169 L170D5-K167 IonicContact OD2-NZ 2.76Å; K167-M169 VanDerWaalsContact C-N 3.29Å; K167-M169 PolarHBondContact O-N 3.17Å; K167-L170 PolarHBondContact O-N 3.02Å
168S96.7Very high96.7Very high24 Ų2423.7 Ų23.717%0.16812%0.123CC..G310 helixtrans-68.9-24.2177.359.50000113.8G129 A131 S166 L170G129-S168 VanDerWaalsContact O-CB 3.27Å; G129-S168 WeakPolarHBondContact O-CB 3.31Å; G129-S168 PolarHBondContact O-OG 2.79Å; A131-S168 WeakPolarHBondContact CB-O 3.48Å; S166-S168 PolarHBondContact O-N 3.03Å; S166-S168 VanDerWaalsContact O-N 3.08Å; S166-S168 PolarHBondContact OG-OG 2.9Å; S168-L170 VanDerWaalsContact C-N 3.32Å
169M98.1Very high97.1Very high1 Ų124.5 Ų24.51%0.00512%0.123CC..G310 helixtrans-81-6.8178.8-63.5172.2-176.500113.7K105 A109 L120 Y127 S166 K167 P171K105-M169 HydrophobicContact CB-CB 4.19Å; K105-M169 HydrophobicContact CG-CB 4.4Å; K105-M169 WeakPolarHBondContact CG-O 3.28Å; A109-M169 HydrophobicContact CB-CE 3.31Å; A109-M169 HydrophobicContact CB-CG 3.91Å; A109-M169 HydrophobicContact CB-SD 4.38Å; L120-M169 HydrophobicContact CD1-CE 4.39Å; L120-M169 HydrophobicContact CD2-CE 4.11Å; L120-M169 HydrophobicContact CG-CE 4.34Å; Y127-M169 HydrophobicContact CD1-CE 4.22Å; S166-M169 WeakPolarHBondContact O-CB 3.18Å; S166-M169 PolarHBondContact O-N 3.43Å; K167-M169 VanDerWaalsContact C-N 3.29Å; K167-M169 PolarHBondContact O-N 3.17Å; M169-P171 WeakPolarHBondContact O-CD 3.37Å
170L98.2Very high97.5Very high6 Ų620.8 Ų20.83%0.03111%0.107CC..SBendtrans-62.7125.2177.9-172.870000110.1T10 N148 K167 S168 K172T10-L170 WeakPolarHBondContact OG1-CG 3.36Å; N148-L170 VanDerWaalsContact C-CD1 3.46Å; K167-L170 PolarHBondContact O-N 3.02Å; S168-L170 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 2.7Å
171P98.8Very high97.7Very high0 Ų019.2 Ų19.20%010%0.099CC..  trans-51.3138.7172.6-28.937000111.8T10 L134 T136 N148 M169T10-P171 WeakPolarHBondContact CA-O 3.28Å; T10-P171 WeakPolarHBondContact CB-O 3.47Å; T10-P171 HydrophobicContact CG2-CB 4.09Å; T10-P171 WeakPolarHBondContact CG2-O 3.26Å; T10-P171 PolarHBondContact OG1-O 3.24Å; L134-P171 HydrophobicContact CD2-CG 3.99Å; L134-P171 HydrophobicContact CG-CB 4.48Å; L134-P171 HydrophobicContact CG-CG 4.44Å; L134-P171 CarbonylContact O-C 3.55Å; L134-P171 WeakPolarHBondContact O-CA 3.41Å; T136-P171 HydrophobicContact CG2-CB 3.91Å; T136-P171 HydrophobicContact CG2-CG 3.89Å; N148-P171 WeakPolarHBondContact O-CD 3.46Å; M169-P171 WeakPolarHBondContact O-CD 3.37Å
172K98.7Very high97.8Very high69 Ų6921.5 Ų21.530%0.311%0.109SC..SBendtrans-80.8-44.4178.9-53.2-54.8177.2-160.60111.2D11 Y29 P133 L134 L170D11-K172 PolarHBondContact N-O 3.09Å; Y29-K172 HydrophobicContact CE1-CB 4.28Å; Y29-K172 HydrophobicContact CE1-CG 4.16Å; Y29-K172 WeakPolarHBondContact OH-CB 3.39Å; P133-K172 HydrophobicContact CB-CG 4.05Å; L134-K172 PolarHBondContact O-N 3.15Å; L170-K172 PolarHBondContact O-N 2.7Å
173V98.9Very high97.7Very high2 Ų224.8 Ų24.81%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-137.4139.4176.3-171.10000109.2D11 R13 V25 V135 T136 F175D11-V173 HydrophobicContact CB-CB 4.48Å; D11-V173 HydrophobicContact CB-CG1 4.29Å; D11-V173 HydrophobicContact CB-CG2 4.12Å; D11-V173 CarbonylContact O-C 3.46Å; D11-V173 VanDerWaalsContact O-CA 3.25Å; D11-V173 WeakPolarHBondContact O-CA 3.18Å; D11-V173 WeakPolarHBondContact O-CG1 3.23Å; R13-V173 HydrophobicContact CG-CG1 3.88Å; V25-V173 HydrophobicContact CG1-CB 3.72Å; V25-V173 HydrophobicContact CG1-CG1 3.98Å; V25-V173 HydrophobicContact CG1-CG2 3.61Å; V25-V173 HydrophobicContact CG2-CG1 3.99Å; V25-V173 HydrophobicContact CG2-CG2 4.44Å; V135-V173 CarbonylContact C-O 3.12Å; V135-V173 VanDerWaalsContact CA-O 3.28Å; V135-V173 WeakPolarHBondContact CA-O 3.33Å; V135-V173 HydrophobicContact CG1-CB 4.37Å; T136-V173 PolarHBondContact N-O 3.15Å; V173-F175 HydrophobicContact CG1-CE2 4.18Å
174S98.9Very high97.8Very high0 Ų024.6 Ų24.60%013%0.127CC..EExtended strand (participates in β ladder)trans-133.4127.3178.3-64.40000111.4T10 D11 R13 T136 E146 L176T10-S174 WeakPolarHBondContact CG2-OG 3.41Å; D11-S174 PolarHBondContact O-N 2.96Å; R13-S174 PolarHBondContact N-O 3.49Å; T136-S174 CarbonylContact O-C 3.57Å; T136-S174 WeakPolarHBondContact O-CA 3.1Å; T136-S174 WeakPolarHBondContact OG1-CB 3.34Å; T136-S174 PolarHBondContact OG1-OG 3.06Å; E146-S174 WeakPolarHBondContact O-CB 3.36Å; E146-S174 PolarHBondContact O-OG 2.87Å; S174-L176 WeakPolarHBondContact O-CD1 3.46Å
175F98.9Very high97.8Very high7 Ų729 Ų293%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-94.1119.6176.1-68.7-95.3000110.1R13 R18 E21 L22 V25 V135 T136 I137 L138 V173R13-F175 HydrophobicContact CB-CD1 3.54Å; R13-F175 HydrophobicContact CB-CE1 3.75Å; R13-F175 HydrophobicContact CB-CG 4.1Å; R13-F175 HydrophobicContact CB-CZ 4.47Å; R13-F175 HydrophobicContact CG-CD1 4.08Å; R13-F175 HydrophobicContact CG-CE1 3.82Å; R13-F175 HydrophobicContact CG-CZ 4.11Å; R13-F175 WeakPolarHBondContact O-CA 3.42Å; R18-F175 WeakPolarHBondContact O-CE1 3.07Å; E21-F175 HydrophobicContact CB-CE1 4.09Å; E21-F175 HydrophobicContact CB-CZ 4.36Å; L22-F175 HydrophobicContact CB-CZ 4.21Å; L22-F175 HydrophobicContact CD1-CE2 3.88Å; L22-F175 HydrophobicContact CD1-CZ 4.38Å; V25-F175 HydrophobicContact CB-CZ 4.43Å; V25-F175 HydrophobicContact CG1-CE2 4.45Å; V25-F175 HydrophobicContact CG2-CE2 4.28Å; V25-F175 HydrophobicContact CG2-CZ 3.91Å; V135-F175 HydrophobicContact CG1-CD2 4.27Å; V135-F175 HydrophobicContact CG1-CE2 4.04Å; T136-F175 PolarHBondContact O-N 2.68Å; I137-F175 HydrophobicContact CB-CB 4.44Å; I137-F175 HydrophobicContact CG1-CB 4.07Å; I137-F175 HydrophobicContact CG1-CD2 4.17Å; I137-F175 HydrophobicContact CG1-CG 4.38Å; I137-F175 HydrophobicContact CG2-CB 4.42Å; L138-F175 PolarHBondContact N-O 3.42Å; V173-F175 HydrophobicContact CG1-CE2 4.18Å
176L98.8Very high97.9Very high0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-12179.4-174.4-80.968.4000108I12 R13 F14 G15 L138 E146 S174 P178 M246 W247 T250I12-L176 HydrophobicContact CD1-CD1 4.21Å; I12-L176 HydrophobicContact CG2-CD1 4.27Å; I12-L176 HydrophobicContact CG2-CD2 4.13Å; R13-L176 PolarHBondContact O-N 3.3Å; F14-L176 WeakPolarHBondContact CA-O 3.19Å; F14-L176 HydrophobicContact CB-CB 4.44Å; F14-L176 HydrophobicContact CD2-CB 3.58Å; F14-L176 HydrophobicContact CD2-CD2 4.04Å; F14-L176 HydrophobicContact CD2-CG 4.49Å; F14-L176 HydrophobicContact CE2-CB 4.24Å; F14-L176 HydrophobicContact CG-CB 4.35Å; G15-L176 PolarHBondContact N-O 3.29Å; L138-L176 HydrophobicContact CB-CG 4.44Å; L138-L176 HydrophobicContact CD2-CG 4.27Å; E146-L176 HydrophobicContact CB-CD1 4.46Å; E146-L176 HydrophobicContact CG-CD1 3.88Å; E146-L176 HydrophobicContact CG-CD2 4.23Å; E146-L176 HydrophobicContact CG-CG 4.28Å; S174-L176 WeakPolarHBondContact O-CD1 3.46Å; L176-P178 WeakPolarHBondContact O-CD 3.34Å; L176-M246 VanDerWaalsContact C-SD 3.56Å; L176-M246 HydrophobicContact CB-CG 4.37Å; L176-M246 HydrophobicContact CB-SD 3.55Å; L176-M246 VanDerWaalsContact CB-SD 3.55Å; L176-M246 HydrophobicContact CD2-CG 4.28Å; L176-M246 HydrophobicContact CG-CG 4.35Å; L176-M246 HydrophobicContact CG-SD 4.03Å; L176-W247 HydrophobicContact CD2-CE3 4.05Å; L176-W247 HydrophobicContact CD2-CZ3 4.09Å; L176-T250 HydrophobicContact CD2-CG2 4.24Å; L176-T250 WeakPolarHBondContact CD2-OG1 3.31Å
177D98.6Very high98Very high22 Ų2239.5 Ų39.512%0.11819%0.192CC..  trans-96.9111.6174.6-175.4-18.9000109.6K16 D17 Q179 N180K16-D177 WeakPolarHBondContact CA-OD2 3.5Å; D17-D177 PolarHBondContact N-OD2 2.55Å; D177-Q179 PolarHBondContact O-N 2.93Å; D177-Q179 VanDerWaalsContact O-N 3.1Å; D177-Q179 VanDerWaalsContact OD1-CB 3.28Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.4Å; D177-Q179 WeakPolarHBondContact OD1-CG 3.2Å; D177-Q179 PolarHBondContact OD1-N 2.94Å; D177-N180 WeakPolarHBondContact O-CB 3.5Å; D177-N180 PolarHBondContact O-N 2.88Å
178P98.7Very high98.1Very high0 Ų036.5 Ų36.50%018%0.18CC..G310 helixtrans-55.8-27.9179.3-26.736.4000114F14 L176 N180 T181 F182 Y239 R242 A243 M246F14-P178 HydrophobicContact CE1-CG 4.41Å; F14-P178 HydrophobicContact CZ-CG 4.07Å; L176-P178 WeakPolarHBondContact O-CD 3.34Å; P178-N180 PolarHBondContact O-N 3.44Å; P178-T181 PolarHBondContact O-N 2.98Å; P178-T181 PolarHBondContact O-OG1 2.92Å; P178-F182 WeakPolarHBondContact O-CD1 3.19Å; P178-Y239 HydrophobicContact CB-CD2 4.04Å; P178-Y239 HydrophobicContact CB-CE2 3.82Å; P178-Y239 HydrophobicContact CG-CD2 4.45Å; P178-Y239 HydrophobicContact CG-CE1 4.46Å; P178-Y239 HydrophobicContact CG-CE2 3.79Å; P178-R242 HydrophobicContact CB-CB 4.05Å; P178-A243 HydrophobicContact CB-CB 4.16Å; P178-A243 HydrophobicContact CG-CB 3.66Å; P178-M246 HydrophobicContact CG-SD 4.45Å
179Q98.1Very high98.2Very high77 Ų7735.7 Ų35.736%0.3617%0.174SC..G310 helixtrans-63.8-26.6179.4-59.5-170.9-95.900112.6K16 D177 T181 F182 Y239K16-Q179 HydrophobicContact CB-CG 4.35Å; D177-Q179 PolarHBondContact O-N 2.93Å; D177-Q179 VanDerWaalsContact O-N 3.1Å; D177-Q179 VanDerWaalsContact OD1-CB 3.28Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.4Å; D177-Q179 WeakPolarHBondContact OD1-CG 3.2Å; D177-Q179 PolarHBondContact OD1-N 2.94Å; Q179-T181 PolarHBondContact O-N 3.03Å; Q179-T181 VanDerWaalsContact O-N 3.15Å; Q179-F182 HydrophobicContact CB-CD2 4.36Å; Q179-F182 HydrophobicContact CB-CE2 4.2Å; Q179-F182 HydrophobicContact CB-CZ 4.39Å; Q179-F182 HydrophobicContact CG-CE2 3.93Å; Q179-F182 HydrophobicContact CG-CZ 3.95Å; Q179-F182 WeakPolarHBondContact O-CB 3.25Å; Q179-F182 WeakPolarHBondContact O-CG 3.35Å; Q179-F182 PolarHBondContact O-N 2.59Å; Q179-Y239 HydrophobicContact CG-CD2 4.21Å; Q179-Y239 HydrophobicContact CG-CE2 4.29Å
180N97.8Very high98.3Very high21 Ų2135.7 Ų35.711%0.11217%0.174CC..G310 helixtrans-63.7-19.7175.1-67.3-23.2000112.5L138 T139 D177 P178L138-N180 PolarHBondContact O-ND2 2.74Å; T139-N180 HydrophobicContact CG2-CB 4.25Å; D177-N180 WeakPolarHBondContact O-CB 3.5Å; D177-N180 PolarHBondContact O-N 2.88Å; P178-N180 PolarHBondContact O-N 3.44Å
181T98.3Very high98.3Very high3 Ų335.5 Ų35.52%0.01817%0.174CC..G310 helixtrans-94.7-5-179.170.40000113.7P178 Q179 S183 V184 R242 M246P178-T181 PolarHBondContact O-N 2.98Å; P178-T181 PolarHBondContact O-OG1 2.92Å; Q179-T181 PolarHBondContact O-N 3.03Å; Q179-T181 VanDerWaalsContact O-N 3.15Å; T181-S183 PolarHBondContact O-N 3.03Å; T181-S183 VanDerWaalsContact O-N 3.16Å; T181-V184 VanDerWaalsContact O-CB 3.3Å; T181-V184 WeakPolarHBondContact O-CB 3.49Å; T181-V184 WeakPolarHBondContact O-CG2 3.3Å; T181-V184 PolarHBondContact O-N 3.22Å; T181-R242 PolarHBondContact O-NE 2.88Å; T181-R242 PolarHBondContact O-NH2 3.17Å; T181-R242 WeakPolarHBondContact OG1-CB 3.49Å; T181-R242 VanDerWaalsContact OG1-CD 3.24Å; T181-R242 WeakPolarHBondContact OG1-CD 3.49Å; T181-R242 WeakPolarHBondContact OG1-CG 3.39Å; T181-M246 HydrophobicContact CG2-CE 3.34Å
182F98.3Very high98.3Very high55 Ų5535.7 Ų35.724%0.24118%0.176CC..THydrogen-bonded Turntrans-61.3-30.4-176.5-71.41.1000113P178 Q179 V184 P236 D237 Y239 R242P178-F182 WeakPolarHBondContact O-CD1 3.19Å; Q179-F182 HydrophobicContact CB-CD2 4.36Å; Q179-F182 HydrophobicContact CB-CE2 4.2Å; Q179-F182 HydrophobicContact CB-CZ 4.39Å; Q179-F182 HydrophobicContact CG-CE2 3.93Å; Q179-F182 HydrophobicContact CG-CZ 3.95Å; Q179-F182 WeakPolarHBondContact O-CB 3.25Å; Q179-F182 WeakPolarHBondContact O-CG 3.35Å; Q179-F182 PolarHBondContact O-N 2.59Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-P236 WeakPolarHBondContact CA-O 3.4Å; F182-D237 HydrophobicContact CD2-CB 3.93Å; F182-D237 HydrophobicContact CE2-CB 4.18Å; F182-D237 HydrophobicContact CG-CB 4.2Å; F182-D237 VanDerWaalsContact CZ-O 3.26Å; F182-D237 WeakPolarHBondContact CZ-O 3.42Å; F182-Y239 HydrophobicContact CZ-CD2 4.17Å; F182-R242 HydrophobicContact CD1-CB 4.49Å; F182-R242 HydrophobicContact CD1-CG 3.92Å; F182-R242 HydrophobicContact CE1-CB 4.18Å; F182-R242 HydrophobicContact CE1-CG 3.94Å
183S95.9Very high98.3Very high71 Ų7132.6 Ų32.650%0.49716%0.163SC..THydrogen-bonded Turntrans-81.3-7.9178.170.10000114.6I45 T181 N185I45-S183 VanDerWaalsContact CG2-CB 3.5Å; I45-S183 WeakPolarHBondContact CG2-OG 3.29Å; T181-S183 PolarHBondContact O-N 3.03Å; T181-S183 VanDerWaalsContact O-N 3.16Å; S183-N185 PolarHBondContact O-N 3.29Å
184V97.8Very high98.3Very high21 Ų2132.5 Ų32.513%0.12716%0.162CC..  trans-68.6121.2-179179.30000108.6T139 L140 T181 F182 Q188 T189 R242T139-V184 WeakPolarHBondContact O-CG2 3.45Å; L140-V184 HydrophobicContact CD1-CB 4.46Å; L140-V184 HydrophobicContact CD1-CG1 3.57Å; L140-V184 HydrophobicContact CD1-CG2 4.02Å; T181-V184 VanDerWaalsContact O-CB 3.3Å; T181-V184 WeakPolarHBondContact O-CB 3.49Å; T181-V184 WeakPolarHBondContact O-CG2 3.3Å; T181-V184 PolarHBondContact O-N 3.22Å; F182-V184 VanDerWaalsContact C-N 3.33Å; V184-Q188 HydrophobicContact CG1-CB 3.64Å; V184-T189 WeakPolarHBondContact CG1-OG1 3.41Å; V184-T189 PolarHBondContact O-OG1 2.94Å; V184-R242 PolarHBondContact O-NH2 3.36Å
185N97.1Very high98.3Very high95 Ų9532.8 Ų32.851%0.50816%0.163SC..  trans-65.7167.8-17871.731000112S183 Y187 Q188 T189S183-N185 PolarHBondContact O-N 3.29Å; N185-Y187 VanDerWaalsContact C-N 3.34Å; N185-Y187 PolarHBondContact O-N 3.12Å; N185-Y187 PolarHBondContact OD1-N 3.48Å; N185-Q188 PolarHBondContact O-N 3.04Å; N185-Q188 WeakPolarHBondContact OD1-CB 3.3Å; N185-Q188 PolarHBondContact OD1-N 2.66Å; N185-T189 WeakPolarHBondContact O-CB 3.48Å; N185-T189 PolarHBondContact O-N 3.49Å; N185-T189 PolarHBondContact O-OG1 2.85Å
186K98.5Very high98.3Very high140 Ų14032.4 Ų32.461%0.60916%0.162SC*.Hα-helixtrans-59.2-44-177.9-64.4-169.4-175.4-162.50112.6Q188 T189 A190 L233K186-Q188 PolarHBondContact O-N 2.96Å; K186-T189 PolarHBondContact O-N 3.3Å; K186-A190 WeakPolarHBondContact O-CB 3.43Å; K186-A190 PolarHBondContact O-N 3.38Å; K186-L233 HydrophobicContact CB-CD2 3.94Å; K186-L233 WeakPolarHBondContact CE-O 3.48Å; K186-L233 HydrophobicContact CG-CD2 4.37Å; K186-L233 PolarHBondContact NZ-O 3.07Å; K186-L233 VanDerWaalsContact O-CD2 3.25Å; K186-L233 WeakPolarHBondContact O-CD2 3.35Å
187Y98Very high98.3Very high92 Ų9232.4 Ų32.436%0.36116%0.162SC..Hα-helixtrans-58.6-50-179.5179.8-96.3000112N185 A190 A191 T281 V284N185-Y187 VanDerWaalsContact C-N 3.34Å; N185-Y187 PolarHBondContact O-N 3.12Å; N185-Y187 PolarHBondContact OD1-N 3.48Å; Y187-A190 PolarHBondContact O-N 3.42Å; Y187-A191 VanDerWaalsContact O-CB 3.32Å; Y187-A191 WeakPolarHBondContact O-CB 3.26Å; Y187-A191 PolarHBondContact O-N 3.24Å; Y187-T281 HydrophobicContact CE1-CG2 4.11Å; Y187-T281 WeakPolarHBondContact CE1-OG1 3.32Å; Y187-V284 HydrophobicContact CE1-CG2 4.39Å; Y187-V284 HydrophobicContact CE2-CG2 3.91Å; Y187-V284 WeakPolarHBondContact OH-CG2 3.49Å
188Q97.9Very high98.3Very high61 Ų6131.4 Ų31.429%0.28516%0.156SC..Hα-helixtrans-71.2-30.1178.2-70.1-65.1-15.800112.7V184 N185 K186 G192V184-Q188 HydrophobicContact CG1-CB 3.64Å; N185-Q188 PolarHBondContact O-N 3.04Å; N185-Q188 WeakPolarHBondContact OD1-CB 3.3Å; N185-Q188 PolarHBondContact OD1-N 2.66Å; K186-Q188 PolarHBondContact O-N 2.96Å; Q188-G192 PolarHBondContact O-N 3.3Å
189T98.8Very high98.3Very high6 Ų631.7 Ų31.74%0.03716%0.158CC..Hα-helixtrans-67.3-43173.6-58.90000111.2V184 N185 K186 S193 A232 L233 R242 L245V184-T189 WeakPolarHBondContact CG1-OG1 3.41Å; V184-T189 PolarHBondContact O-OG1 2.94Å; N185-T189 WeakPolarHBondContact O-CB 3.48Å; N185-T189 PolarHBondContact O-N 3.49Å; N185-T189 PolarHBondContact O-OG1 2.85Å; K186-T189 PolarHBondContact O-N 3.3Å; T189-S193 WeakPolarHBondContact O-CB 3.49Å; T189-S193 PolarHBondContact O-N 3.27Å; T189-S193 PolarHBondContact O-OG 2.72Å; T189-A232 HydrophobicContact CG2-CB 4.04Å; T189-L233 HydrophobicContact CG2-CD2 3.89Å; T189-L233 HydrophobicContact CG2-CG 4.39Å; T189-R242 PolarHBondContact OG1-NH1 3.21Å; T189-L245 HydrophobicContact CG2-CD1 4.45Å
190A98.9Very high98.4Very high2 Ų228 Ų282%0.01714%0.141CC..Hα-helixtrans-67.5-47.6176.200000111.2K186 Y187 S193 A194 L233 C339 I341K186-A190 WeakPolarHBondContact O-CB 3.43Å; K186-A190 PolarHBondContact O-N 3.38Å; Y187-A190 PolarHBondContact O-N 3.42Å; A190-S193 PolarHBondContact O-N 3.44Å; A190-A194 PolarHBondContact O-N 3.3Å; A190-L233 HydrophobicContact CB-CD2 4.16Å; A190-C339 HydrophobicContact CB-CB 4.16Å; A190-I341 HydrophobicContact CB-CD1 4.12Å; A190-I341 HydrophobicContact CB-CG1 3.79Å
191A98.7Very high98.4Very high2 Ų227 Ų272%0.01714%0.135CC..Hα-helixtrans-59.9-48.4177.300000111.9Y187 S193 A194 D195 T281 G283 V284Y187-A191 VanDerWaalsContact O-CB 3.32Å; Y187-A191 WeakPolarHBondContact O-CB 3.26Å; Y187-A191 PolarHBondContact O-N 3.24Å; A191-S193 VanDerWaalsContact C-N 3.28Å; A191-S193 PolarHBondContact O-N 2.9Å; A191-A194 PolarHBondContact O-N 3.2Å; A191-D195 PolarHBondContact O-N 2.59Å; A191-T281 HydrophobicContact CB-CG2 3.66Å; A191-G283 WeakPolarHBondContact O-CA 3.41Å; A191-V284 HydrophobicContact CB-CG2 3.8Å
192G98.8Very high98.4Very high4 Ų427 Ų274%0.04114%0.135CC..Hα-helixtrans-59.6-39175.400000112.3A141 Q188 D195 I196A141-G192 WeakPolarHBondContact O-CA 3.36Å; Q188-G192 PolarHBondContact O-N 3.3Å; G192-D195 WeakPolarHBondContact O-CB 3.24Å; G192-D195 PolarHBondContact O-N 2.77Å; G192-I196 VanDerWaalsContact O-CG1 3.27Å; G192-I196 WeakPolarHBondContact O-CG1 3.5Å; G192-I196 PolarHBondContact O-N 2.62Å
193S98.9Very high98.4Very high4 Ų424.9 Ų24.93%0.02813%0.126CC..Hα-helixtrans-67.2-37.2176-57.90000112.9T189 A190 A191 D195 I196 M197 C229T189-S193 WeakPolarHBondContact O-CB 3.49Å; T189-S193 PolarHBondContact O-N 3.27Å; T189-S193 PolarHBondContact O-OG 2.72Å; A190-S193 PolarHBondContact O-N 3.44Å; A191-S193 VanDerWaalsContact C-N 3.28Å; A191-S193 PolarHBondContact O-N 2.9Å; S193-D195 VanDerWaalsContact C-N 3.33Å; S193-I196 PolarHBondContact O-N 2.99Å; S193-M197 WeakPolarHBondContact O-CG 3.45Å; S193-M197 PolarHBondContact O-N 2.97Å; S193-C229 VanDerWaalsContact CB-SG 3.58Å; S193-C229 WeakPolarHBondContact OG-CB 3.35Å; S193-C229 PolarHBondContact OG-SG 3.13Å; S193-C229 VanDerWaalsContact OG-SG 3.36Å
194A98.9Very high98.5Very high0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-66.4-35.3173.600000112.4A190 A191 M197 S198 G283 A287 F336 I341A190-A194 PolarHBondContact O-N 3.3Å; A191-A194 PolarHBondContact O-N 3.2Å; A194-M197 PolarHBondContact O-N 2.86Å; A194-S198 WeakPolarHBondContact O-CB 3.47Å; A194-S198 PolarHBondContact O-N 3.45Å; A194-S198 PolarHBondContact O-OG 2.72Å; A194-G283 VanDerWaalsContact CB-O 3.32Å; A194-G283 WeakPolarHBondContact CB-O 3.25Å; A194-A287 HydrophobicContact CB-CB 3.74Å; A194-F336 HydrophobicContact CB-CD1 4.08Å; A194-F336 HydrophobicContact CB-CE1 3.66Å; A194-F336 HydrophobicContact CB-CZ 4.13Å; A194-I341 HydrophobicContact CB-CD1 3.75Å
195D98.9Very high98.6Very high5 Ų520.8 Ų20.83%0.02710%0.098CC..Hα-helixtrans-63.4-46.8172.9-16615.1000111.3A142 T143 A191 G192 S193 M197 S198 H199 H282 L286A142-D195 HydrophobicContact CB-CB 4.35Å; T143-D195 WeakPolarHBondContact CG2-OD2 3.48Å; A191-D195 PolarHBondContact O-N 2.59Å; G192-D195 WeakPolarHBondContact O-CB 3.24Å; G192-D195 PolarHBondContact O-N 2.77Å; S193-D195 VanDerWaalsContact C-N 3.33Å; D195-M197 VanDerWaalsContact C-N 3.34Å; D195-M197 PolarHBondContact O-N 3.26Å; D195-S198 WeakPolarHBondContact O-CB 3.35Å; D195-S198 PolarHBondContact O-N 3.31Å; D195-S198 VanDerWaalsContact O-N 3.09Å; D195-H199 PolarHBondContact O-N 2.93Å; D195-H199 PolarHBondContact O-ND1 3.27Å; D195-H199 VanDerWaalsContact O-ND1 3.14Å; D195-H199 IonicContact OD1-CE1 3.84Å; D195-H199 PolarHBondContact OD1-CE1 3.16Å; D195-H199 IonicContact OD1-ND1 3.29Å; D195-H199 IonicContact OD1-NE2 2.71Å; D195-H199 PolarHBondContact OD1-NE2 3.2Å; D195-H199 IonicContact OD2-CE1 3.07Å; D195-H282 IonicContact OD1-CD2 3.54Å; D195-H282 IonicContact OD1-NE2 3.92Å; D195-H282 IonicContact OD2-CD2 2.79Å; D195-L286 HydrophobicContact CB-CD1 4.48Å; D195-L286 WeakPolarHBondContact OD1-CD1 3.42Å
196I98.9Very high98.5Very high0 Ų016.7 Ų16.70%08%0.075CC..Hα-helixtrans-57-48.3173.3-57.5164.4000110.8A141 A142 G192 S193 S198 H199 L200 V225 A248 S249 A252A141-I196 HydrophobicContact CB-CD1 4.47Å; A142-I196 WeakPolarHBondContact O-CG1 3.01Å; G192-I196 VanDerWaalsContact O-CG1 3.27Å; G192-I196 WeakPolarHBondContact O-CG1 3.5Å; G192-I196 PolarHBondContact O-N 2.62Å; S193-I196 PolarHBondContact O-N 2.99Å; I196-S198 VanDerWaalsContact C-N 3.26Å; I196-S198 PolarHBondContact O-N 3.15Å; I196-H199 PolarHBondContact O-N 3.21Å; I196-L200 HydrophobicContact CG2-CD1 4.01Å; I196-L200 VanDerWaalsContact O-CG 3.28Å; I196-L200 WeakPolarHBondContact O-CG 3.44Å; I196-L200 PolarHBondContact O-N 3.44Å; I196-L200 VanDerWaalsContact O-N 3.12Å; I196-V225 HydrophobicContact CB-CG2 4.28Å; I196-V225 HydrophobicContact CG2-CG2 3.59Å; I196-A248 HydrophobicContact CG2-CB 4.42Å; I196-S249 VanDerWaalsContact CG1-CB 3.49Å; I196-A252 HydrophobicContact CG2-CB 3.92Å
197M98.9Very high98.4Very high0 Ų015.5 Ų15.50%07%0.067CC..Hα-helixtrans-58.6-40.8177.4-72.9-62.6-66.100111.3S193 A194 D195 L200 I201 M222 V225 I226 L332 F336S193-M197 WeakPolarHBondContact O-CG 3.45Å; S193-M197 PolarHBondContact O-N 2.97Å; A194-M197 PolarHBondContact O-N 2.86Å; D195-M197 VanDerWaalsContact C-N 3.34Å; D195-M197 PolarHBondContact O-N 3.26Å; M197-L200 PolarHBondContact O-N 2.68Å; M197-I201 HydrophobicContact CB-CD1 4.35Å; M197-I201 HydrophobicContact CE-CD1 4.38Å; M197-I201 VanDerWaalsContact O-CB 3.29Å; M197-I201 WeakPolarHBondContact O-CB 3.36Å; M197-I201 WeakPolarHBondContact O-CD1 3.22Å; M197-I201 WeakPolarHBondContact O-CG1 3.27Å; M197-I201 PolarHBondContact O-N 2.66Å; M197-M222 HydrophobicContact CE-CB 4.03Å; M197-M222 HydrophobicContact CE-CG 3.9Å; M197-M222 HydrophobicContact CE-SD 4.19Å; M197-M222 HydrophobicContact SD-CB 4.07Å; M197-M222 HydrophobicContact SD-CG 3.99Å; M197-V225 HydrophobicContact CG-CB 4.45Å; M197-V225 HydrophobicContact CG-CG1 3.85Å; M197-V225 HydrophobicContact SD-CB 3.86Å; M197-V225 HydrophobicContact SD-CG1 3.91Å; M197-I226 HydrophobicContact CE-CD1 4.13Å; M197-I226 HydrophobicContact CE-CG1 4.17Å; M197-I226 HydrophobicContact SD-CG1 4.34Å; M197-L332 HydrophobicContact CE-CD1 4.03Å; M197-F336 HydrophobicContact CB-CE1 4.21Å; M197-F336 HydrophobicContact CB-CZ 4Å; M197-F336 HydrophobicContact CG-CE1 4.24Å; M197-F336 HydrophobicContact CG-CZ 4.46Å
198S98.9Very high98.2Very high0 Ų012 Ų120%06%0.056CC..Hα-helixtrans-66.3-45-179.6-590000111.7A194 D195 I196 L200 I201 E202 L286A194-S198 WeakPolarHBondContact O-CB 3.47Å; A194-S198 PolarHBondContact O-N 3.45Å; A194-S198 PolarHBondContact O-OG 2.72Å; D195-S198 WeakPolarHBondContact O-CB 3.35Å; D195-S198 PolarHBondContact O-N 3.31Å; D195-S198 VanDerWaalsContact O-N 3.09Å; I196-S198 VanDerWaalsContact C-N 3.26Å; I196-S198 PolarHBondContact O-N 3.15Å; S198-L200 VanDerWaalsContact C-N 3.28Å; S198-L200 PolarHBondContact O-N 3.24Å; S198-I201 PolarHBondContact O-N 3.05Å; S198-E202 VanDerWaalsContact O-CB 3.3Å; S198-E202 WeakPolarHBondContact O-CB 3.16Å; S198-E202 WeakPolarHBondContact O-CG 3.36Å; S198-E202 PolarHBondContact O-N 3.1Å; S198-L286 WeakPolarHBondContact OG-CB 3.34Å
199H98.7Very high98Very high7 Ų717.2 Ų17.23%0.0328%0.08CC..Hα-helixtrans-55.9-43.2172.7-65.4132.5000112.5D195 I196 N203 A252 L253 W265 H268D195-H199 PolarHBondContact O-N 2.93Å; D195-H199 PolarHBondContact O-ND1 3.27Å; D195-H199 VanDerWaalsContact O-ND1 3.14Å; D195-H199 IonicContact OD1-CE1 3.84Å; D195-H199 PolarHBondContact OD1-CE1 3.16Å; D195-H199 IonicContact OD1-ND1 3.29Å; D195-H199 IonicContact OD1-NE2 2.71Å; D195-H199 PolarHBondContact OD1-NE2 3.2Å; D195-H199 IonicContact OD2-CE1 3.07Å; I196-H199 PolarHBondContact O-N 3.21Å; H199-N203 WeakPolarHBondContact O-CB 3.37Å; H199-N203 PolarHBondContact O-N 3.42Å; H199-N203 VanDerWaalsContact O-N 3.15Å; H199-N203 PolarHBondContact O-ND2 3.02Å; H199-A252 HydrophobicContact CB-CB 4.15Å; H199-L253 WeakPolarHBondContact NE2-CD2 3.15Å; H199-W265 AromaticContact CD2-CH2 3.41Å; H199-W265 VanDerWaalsContact CD2-CH2 3.41Å; H199-W265 WeakPolarHBondContact CD2-CH2 3.45Å; H199-W265 AromaticContact CD2-CZ3 3.68Å; H199-H268 AromaticContact CD2-CE1 3.59Å; H199-H268 AromaticContact CD2-NE2 3.22Å; H199-H268 PolarHBondContact CD2-NE2 3.48Å; H199-H268 AromaticContact NE2-CE1 4Å; H199-H268 AromaticContact NE2-NE2 3.18Å; H199-H268 PolarHBondContact NE2-NE2 3.11Å; H199-H268 VanDerWaalsContact NE2-NE2 3.18Å
200L98.9Very high97.8Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-67.9-46.1178.8-65.1170000111.7I196 M197 S198 N203 Y204 L221 M222 A252 T257I196-L200 HydrophobicContact CG2-CD1 4.01Å; I196-L200 VanDerWaalsContact O-CG 3.28Å; I196-L200 WeakPolarHBondContact O-CG 3.44Å; I196-L200 PolarHBondContact O-N 3.44Å; I196-L200 VanDerWaalsContact O-N 3.12Å; M197-L200 PolarHBondContact O-N 2.68Å; S198-L200 VanDerWaalsContact C-N 3.28Å; S198-L200 PolarHBondContact O-N 3.24Å; L200-N203 PolarHBondContact O-N 2.86Å; L200-Y204 WeakPolarHBondContact O-CB 3.31Å; L200-Y204 PolarHBondContact O-N 3.32Å; L200-L221 HydrophobicContact CD1-CB 3.69Å; L200-L221 HydrophobicContact CD2-CB 3.77Å; L200-L221 HydrophobicContact CD2-CD1 3.76Å; L200-L221 HydrophobicContact CD2-CG 4.42Å; L200-L221 HydrophobicContact CG-CB 4.41Å; L200-M222 HydrophobicContact CB-CE 4.48Å; L200-M222 HydrophobicContact CB-CG 3.65Å; L200-M222 HydrophobicContact CB-SD 4.22Å; L200-M222 HydrophobicContact CD1-CB 4.4Å; L200-M222 HydrophobicContact CD1-CG 3.64Å; L200-M222 HydrophobicContact CG-CG 4.26Å; L200-A252 HydrophobicContact CD1-CB 4.45Å; L200-A252 HydrophobicContact CD2-CB 3.67Å; L200-A252 HydrophobicContact CG-CB 3.81Å; L200-T257 HydrophobicContact CD2-CG2 3.93Å
201I98.9Very high97.7Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-62-49.6178.5-74.7165.3000110.2M197 S198 N203 Y204 F205 M222 T290 W293 M294 F309 L332M197-I201 HydrophobicContact CB-CD1 4.35Å; M197-I201 HydrophobicContact CE-CD1 4.38Å; M197-I201 VanDerWaalsContact O-CB 3.29Å; M197-I201 WeakPolarHBondContact O-CB 3.36Å; M197-I201 WeakPolarHBondContact O-CD1 3.22Å; M197-I201 WeakPolarHBondContact O-CG1 3.27Å; M197-I201 PolarHBondContact O-N 2.66Å; S198-I201 PolarHBondContact O-N 3.05Å; I201-N203 VanDerWaalsContact C-N 3.27Å; I201-N203 PolarHBondContact O-N 3.5Å; I201-Y204 WeakPolarHBondContact O-CB 3.41Å; I201-Y204 PolarHBondContact O-N 3.1Å; I201-F205 HydrophobicContact CG2-CD2 3.72Å; I201-F205 HydrophobicContact CG2-CE2 4.03Å; I201-F205 WeakPolarHBondContact O-CD2 3.3Å; I201-F205 PolarHBondContact O-N 3.45Å; I201-M222 HydrophobicContact CG1-SD 3.92Å; I201-T290 HydrophobicContact CD1-CG2 4.01Å; I201-T290 HydrophobicContact CG2-CG2 4.05Å; I201-W293 HydrophobicContact CG2-CZ3 4Å; I201-M294 HydrophobicContact CB-CE 4.37Å; I201-M294 HydrophobicContact CD1-CE 3.8Å; I201-M294 HydrophobicContact CG1-CE 4.02Å; I201-M294 HydrophobicContact CG2-CE 3.41Å; I201-M294 VanDerWaalsContact CG2-CE 3.41Å; I201-F309 HydrophobicContact CG1-CE2 4.36Å; I201-L332 HydrophobicContact CD1-CD1 4.14Å; I201-L332 HydrophobicContact CD1-CD2 3.71Å
202E98.5Very high97.7Very high3 Ų324.9 Ų24.91%0.01413%0.132CC..Hα-helixtrans-67.9-27.7-176.7-62.9-119.966.800112.4S198 K206 W265 S266 C267 H268S198-E202 VanDerWaalsContact O-CB 3.3Å; S198-E202 WeakPolarHBondContact O-CB 3.16Å; S198-E202 WeakPolarHBondContact O-CG 3.36Å; S198-E202 PolarHBondContact O-N 3.1Å; E202-K206 WeakPolarHBondContact O-CE 3.45Å; E202-W265 HydrophobicContact CB-CB 4.24Å; E202-W265 VanDerWaalsContact CB-CD1 3.46Å; E202-W265 HydrophobicContact CB-CD2 4.05Å; E202-W265 HydrophobicContact CB-CG 3.72Å; E202-W265 HydrophobicContact CG-CB 4.5Å; E202-W265 HydrophobicContact CG-CG 4.42Å; E202-W265 WeakPolarHBondContact OE1-CA 3.47Å; E202-W265 WeakPolarHBondContact OE2-CB 3.24Å; E202-S266 PolarHBondContact OE1-N 3.1Å; E202-C267 PolarHBondContact OE1-N 2.7Å; E202-C267 WeakPolarHBondContact OE2-CA 3.36Å; E202-C267 WeakPolarHBondContact OE2-CB 3.27Å; E202-C267 PolarHBondContact OE2-N 2.95Å; E202-H268 IonicContact OE2-CE1 3.56Å; E202-H268 IonicContact OE2-CG 2.95Å; E202-H268 PolarHBondContact OE2-N 2.65Å; E202-H268 IonicContact OE2-ND1 3.28Å; E202-H268 PolarHBondContact OE2-ND1 3.33Å
203N98.2Very high97.6Very high10 Ų1029.3 Ų29.35%0.05316%0.158CC..Hα-helixtrans-80.8-28.3169.7-76-26.2000113.1H199 L200 I201 T257 K261 W265H199-N203 WeakPolarHBondContact O-CB 3.37Å; H199-N203 PolarHBondContact O-N 3.42Å; H199-N203 VanDerWaalsContact O-N 3.15Å; H199-N203 PolarHBondContact O-ND2 3.02Å; L200-N203 PolarHBondContact O-N 2.86Å; I201-N203 VanDerWaalsContact C-N 3.27Å; I201-N203 PolarHBondContact O-N 3.5Å; N203-T257 PolarHBondContact ND2-OG1 3.04Å; N203-K261 WeakPolarHBondContact O-CE 3.34Å; N203-K261 PolarHBondContact O-NZ 3.4Å; N203-W265 PolarHBondContact OD1-NE1 2.78Å
204Y98.5Very high97.6Very high2 Ų229.6 Ų29.61%0.00816%0.159CC..Hα-helixtrans-71.8-51.6177.8-175-99.6000111.5L200 I201 K206 D215 E219 M222 K261 K305 S308 F309L200-Y204 WeakPolarHBondContact O-CB 3.31Å; L200-Y204 PolarHBondContact O-N 3.32Å; I201-Y204 WeakPolarHBondContact O-CB 3.41Å; I201-Y204 PolarHBondContact O-N 3.1Å; Y204-K206 PolarHBondContact O-N 3.17Å; Y204-D215 HydrophobicContact CD2-CB 4.06Å; Y204-D215 WeakPolarHBondContact CD2-OD1 3.4Å; Y204-D215 HydrophobicContact CE2-CB 3.73Å; Y204-E219 HydrophobicContact CD2-CG 4.26Å; Y204-E219 HydrophobicContact CE2-CG 3.54Å; Y204-E219 WeakPolarHBondContact CE2-OE1 3.09Å; Y204-E219 VanDerWaalsContact CZ-OE1 3.3Å; Y204-E219 PolarHBondContact OH-OE1 3.5Å; Y204-M222 HydrophobicContact CD2-CE 4.07Å; Y204-M222 HydrophobicContact CG-CE 4.05Å; Y204-K261 PolarHBondContact O-NZ 3.01Å; Y204-K305 HydrophobicContact CD1-CG 4.44Å; Y204-K305 HydrophobicContact CE1-CD 4.1Å; Y204-K305 HydrophobicContact CE1-CG 4.06Å; Y204-K305 WeakPolarHBondContact O-CE 3.44Å; Y204-S308 WeakPolarHBondContact OH-CB 3.42Å; Y204-F309 HydrophobicContact CE1-CB 3.9Å
205F98.4Very high97.5Very high3 Ų330.2 Ų30.21%0.01316%0.163CC..SBendtrans-8083.5-180-70.9-82000111I201 W293 M294 K305 F306 F309 F373I201-F205 HydrophobicContact CG2-CD2 3.72Å; I201-F205 HydrophobicContact CG2-CE2 4.03Å; I201-F205 WeakPolarHBondContact O-CD2 3.3Å; I201-F205 PolarHBondContact O-N 3.45Å; F205-W293 HydrophobicContact CB-CH2 3.76Å; F205-W293 HydrophobicContact CD2-CH2 4.33Å; F205-W293 HydrophobicContact CD2-CZ3 4.39Å; F205-W293 HydrophobicContact CG-CH2 4.06Å; F205-M294 HydrophobicContact CD2-CE 4.38Å; F205-M294 HydrophobicContact CE2-CE 3.67Å; F205-M294 HydrophobicContact CZ-CE 4.27Å; F205-K305 HydrophobicContact CD1-CB 4.31Å; F205-K305 HydrophobicContact CD1-CG 3.77Å; F205-K305 HydrophobicContact CE1-CB 4.26Å; F205-K305 HydrophobicContact CE1-CG 3.94Å; F205-F306 HydrophobicContact CD1-CD1 4.37Å; F205-F306 HydrophobicContact CD1-CE1 4.03Å; F205-F306 HydrophobicContact CD1-CE2 4.4Å; F205-F306 HydrophobicContact CD1-CZ 4.06Å; F205-F306 HydrophobicContact CE1-CB 4.43Å; F205-F306 AromaticContact CE1-CD1 3.33Å; F205-F306 HydrophobicContact CE1-CD1 3.33Å; F205-F306 HydrophobicContact CE1-CD2 4.08Å; F205-F306 AromaticContact CE1-CE1 3.36Å; F205-F306 HydrophobicContact CE1-CE1 3.36Å; F205-F306 HydrophobicContact CE1-CE2 4.14Å; F205-F306 AromaticContact CE1-CG 3.69Å; F205-F306 HydrophobicContact CE1-CG 3.69Å; F205-F306 AromaticContact CE1-CZ 3.79Å; F205-F306 HydrophobicContact CE1-CZ 3.79Å; F205-F306 HydrophobicContact CE2-CE1 4.38Å; F205-F306 AromaticContact CZ-CD1 3.48Å; F205-F306 HydrophobicContact CZ-CD1 3.48Å; F205-F306 VanDerWaalsContact CZ-CD1 3.48Å; F205-F306 AromaticContact CZ-CE1 3.57Å; F205-F306 HydrophobicContact CZ-CE1 3.57Å; F205-F306 HydrophobicContact CZ-CG 4.23Å; F205-F306 HydrophobicContact CZ-CZ 4.4Å; F205-F309 HydrophobicContact CE2-CB 4.37Å; F205-F309 HydrophobicContact CE2-CD2 4.22Å; F205-F309 HydrophobicContact CE2-CG 4.23Å; F205-F309 HydrophobicContact CZ-CB 3.72Å; F205-F309 HydrophobicContact CZ-CD1 4.34Å; F205-F309 HydrophobicContact CZ-CD2 4.36Å; F205-F309 AromaticContact CZ-CG 3.91Å; F205-F309 HydrophobicContact CZ-CG 3.91Å; F205-F373 HydrophobicContact CB-CD1 4.06Å; F205-F373 HydrophobicContact CB-CD2 4.43Å; F205-F373 HydrophobicContact CB-CE1 4.38Å; F205-F373 HydrophobicContact CB-CG 4.09Å; F205-F373 HydrophobicContact CD1-CD1 4.28Å; F205-F373 AromaticContact CD1-CE1 3.81Å; F205-F373 HydrophobicContact CD1-CE1 3.81Å; F205-F373 HydrophobicContact CD1-CZ 4.05Å; F205-F373 WeakPolarHBondContact O-CB 3.37Å
206K96.6Very high97.5Very high10 Ų1033.2 Ų33.24%0.04318%0.184CC..  trans-132.7155.3172.7-63.2-68.1-171-174.50109.2E202 Y204 T208 K261 G263 A264 W265E202-K206 WeakPolarHBondContact O-CE 3.45Å; Y204-K206 PolarHBondContact O-N 3.17Å; K206-T208 VanDerWaalsContact C-N 3.33Å; K206-K261 HydrophobicContact CB-CB 4.37Å; K206-K261 HydrophobicContact CG-CB 4.2Å; K206-G263 PolarHBondContact NZ-O 2.91Å; K206-A264 PolarHBondContact NZ-O 2.8Å; K206-W265 VanDerWaalsContact NZ-CD1 3.34Å
207R94.4Very high97.5Very high115 Ų11535.4 Ų35.443%0.43420%0.197SC..SBendtrans-81-10.8178.6-67.2-67.3-169.2149.911.7113.5E209 E301 F373R207-E209 PolarHBondContact O-N 3.44Å; R207-E301 PolarHBondContact NH1-O 3.08Å; R207-E301 IonicContact NH1-OE2 2.87Å; R207-E301 IonicContact NH2-OE2 3.98Å; R207-E301 PolarHBondContact NH2-OE2 3.33Å; R207-F373 HydrophobicContact CG-CD2 4.03Å; R207-F373 HydrophobicContact CG-CE2 4.43Å; R207-F373 PolarHBondContact NE-O 3.27Å
208T95.1Very high97.5Very high19 Ų1935.4 Ų35.412%0.11720%0.197CC..  trans-64.2119.3179-46.50000110.9E2 K206 T211 G260E2-T208 HydrophobicContact CG-CG2 4.16Å; K206-T208 VanDerWaalsContact C-N 3.33Å; T208-T211 HydrophobicContact CG2-CG2 3.96Å; T208-T211 PolarHBondContact O-OG1 2.95Å; T208-G260 WeakPolarHBondContact CG2-O 3.32Å
209E93.5Very high97.5Very high169 Ų16936.1 Ų36.179%0.7920%0.2SC*.SBendtrans-78.6162180-61.4-177166.200112.9M1 R207M1-E209 PolarHBondContact N-O 2.89Å; R207-E209 PolarHBondContact O-N 3.44Å
210G95.3Very high97.5Very high52 Ų5236.8 Ų36.854%0.53621%0.209SC..SBendtrans63.746.1173.500000113.4M1M1-G210 WeakPolarHBondContact CB-O 3.21Å
211T96.9Very high97.5Very high2 Ų237.7 Ų37.71%0.01221%0.214CC..  trans-118.732.6-175580000112.6M1 T208 V213 Q214 D215 K261M1-T211 HydrophobicContact CB-CG2 4.15Å; M1-T211 HydrophobicContact CG-CG2 4.44Å; T208-T211 HydrophobicContact CG2-CG2 3.96Å; T208-T211 PolarHBondContact O-OG1 2.95Å; T211-V213 PolarHBondContact O-N 3.16Å; T211-V213 VanDerWaalsContact O-N 3.12Å; T211-Q214 PolarHBondContact O-N 3.26Å; T211-Q214 VanDerWaalsContact O-N 3.11Å; T211-Q214 PolarHBondContact O-OE1 2.84Å; T211-D215 PolarHBondContact O-N 3.45Å; T211-D215 PolarHBondContact OG1-OD2 3.26Å; T211-K261 HydrophobicContact CG2-CD 3.91Å; T211-K261 HydrophobicContact CG2-CG 3.5Å; T211-K261 VanDerWaalsContact CG2-CG 3.5Å; T211-K261 VanDerWaalsContact OG1-CE 3.28Å; T211-K261 WeakPolarHBondContact OG1-CE 3.46Å
212D96.8Very high97.5Very high117 Ų11737.7 Ų37.763%0.62621%0.214SC*.Hα-helixtrans-55.5-34.4-171.6-54.4-13000113.1S216D212-S216 WeakPolarHBondContact O-CB 3.46Å; D212-S216 PolarHBondContact O-N 2.89Å; D212-S216 PolarHBondContact O-OG 3.38Å
213V97.9Very high97.5Very high98 Ų9842.3 Ų42.359%0.59423%0.231SC*.Hα-helixtrans-64.3-53.5177.8173.90000110.7T211 D215 S216 V217T211-V213 PolarHBondContact O-N 3.16Å; T211-V213 VanDerWaalsContact O-N 3.12Å; V213-D215 VanDerWaalsContact C-N 3.3Å; V213-D215 PolarHBondContact O-N 2.64Å; V213-S216 PolarHBondContact O-N 2.91Å; V213-V217 WeakPolarHBondContact O-CB 3.44Å; V213-V217 VanDerWaalsContact O-CG2 3.24Å; V213-V217 WeakPolarHBondContact O-CG2 3.15Å; V213-V217 PolarHBondContact O-N 3.32Å
214Q98Very high97.6Very high10 Ų1043.7 Ų43.75%0.04724%0.242CC..Hα-helixtrans-62.1-41.2179.4-70.583.2-11.500111.1M1 T211 S218 S259 K261M1-Q214 PolarHBondContact SD-NE2 3.08Å; T211-Q214 PolarHBondContact O-N 3.26Å; T211-Q214 VanDerWaalsContact O-N 3.11Å; T211-Q214 PolarHBondContact O-OE1 2.84Å; Q214-S218 WeakPolarHBondContact O-CB 3.37Å; Q214-S218 PolarHBondContact O-N 2.9Å; Q214-S218 PolarHBondContact O-OG 3.28Å; Q214-S259 PolarHBondContact NE2-O 2.94Å; Q214-K261 HydrophobicContact CB-CD 3.65Å; Q214-K261 HydrophobicContact CB-CG 4.47Å; Q214-K261 HydrophobicContact CG-CD 4.01Å; Q214-K261 HydrophobicContact CG-CG 4.32Å
215D98.3Very high97.6Very high13 Ų1343.6 Ų43.67%0.0724%0.242CC..Hα-helixtrans-65-50.2178.4-69.8-33.9000111.3Y204 T211 V213 V217 S218 E219 K261 K305Y204-D215 HydrophobicContact CD2-CB 4.06Å; Y204-D215 WeakPolarHBondContact CD2-OD1 3.4Å; Y204-D215 HydrophobicContact CE2-CB 3.73Å; T211-D215 PolarHBondContact O-N 3.45Å; T211-D215 PolarHBondContact OG1-OD2 3.26Å; V213-D215 VanDerWaalsContact C-N 3.3Å; V213-D215 PolarHBondContact O-N 2.64Å; D215-V217 VanDerWaalsContact C-N 3.34Å; D215-V217 PolarHBondContact O-N 2.77Å; D215-S218 WeakPolarHBondContact O-CB 3.48Å; D215-S218 PolarHBondContact O-N 3.08Å; D215-S218 VanDerWaalsContact O-N 3.09Å; D215-E219 VanDerWaalsContact O-CG 3.27Å; D215-E219 WeakPolarHBondContact O-CG 3.33Å; D215-E219 PolarHBondContact O-N 3.13Å; D215-K261 IonicContact OD1-NZ 2.59Å; D215-K261 PolarHBondContact OD1-NZ 3.44Å; D215-K305 IonicContact OD1-NZ 3.56Å; D215-K305 PolarHBondContact OD1-NZ 3.45Å; D215-K305 IonicContact OD2-NZ 3.92Å; D215-K305 PolarHBondContact OD2-NZ 3.09Å
216S98.6Very high97.6Very high68 Ų6845 Ų4548%0.47625%0.249SC..Hα-helixtrans-62.7-39.5179.5-60.50000112.3D212 V213 G220D212-S216 WeakPolarHBondContact O-CB 3.46Å; D212-S216 PolarHBondContact O-N 2.89Å; D212-S216 PolarHBondContact O-OG 3.38Å; V213-S216 PolarHBondContact O-N 2.91Å; S216-G220 PolarHBondContact O-N 2.84Å
217V98.7Very high97.7Very high46 Ų4651.4 Ų51.428%0.27928%0.276SS..Hα-helixtrans-62.8-46.8173.2171.60000110V213 D215 E219 G220 L221 L256 T257V213-V217 WeakPolarHBondContact O-CB 3.44Å; V213-V217 VanDerWaalsContact O-CG2 3.24Å; V213-V217 WeakPolarHBondContact O-CG2 3.15Å; V213-V217 PolarHBondContact O-N 3.32Å; D215-V217 VanDerWaalsContact C-N 3.34Å; D215-V217 PolarHBondContact O-N 2.77Å; V217-E219 PolarHBondContact O-N 3.11Å; V217-G220 PolarHBondContact O-N 2.86Å; V217-L221 HydrophobicContact CG1-CD1 3.94Å; V217-L221 HydrophobicContact CG1-CG 4.35Å; V217-L221 VanDerWaalsContact O-CG 3.32Å; V217-L221 WeakPolarHBondContact O-CG 3.35Å; V217-L221 PolarHBondContact O-N 3.49Å; V217-L256 HydrophobicContact CG1-CD2 3.79Å; V217-L256 HydrophobicContact CG1-CG 4.07Å; V217-T257 HydrophobicContact CG1-CG2 4.03Å
218S98.8Very high97.9Very high0 Ų046.4 Ų46.40%026%0.258CS..Hα-helixtrans-60.6-45.3179.8-57.50000111.7Q214 D215 G220 L221 M222 T257Q214-S218 WeakPolarHBondContact O-CB 3.37Å; Q214-S218 PolarHBondContact O-N 2.9Å; Q214-S218 PolarHBondContact O-OG 3.28Å; D215-S218 WeakPolarHBondContact O-CB 3.48Å; D215-S218 PolarHBondContact O-N 3.08Å; D215-S218 VanDerWaalsContact O-N 3.09Å; S218-G220 PolarHBondContact O-N 2.88Å; S218-L221 PolarHBondContact O-N 2.88Å; S218-M222 WeakPolarHBondContact O-CG 3.38Å; S218-M222 PolarHBondContact O-N 3.42Å; S218-T257 WeakPolarHBondContact OG-CB 3.33Å; S218-T257 WeakPolarHBondContact OG-CG2 3.34Å
219E98.9Very high98.1Very high14 Ų1445.5 Ų45.57%0.06525%0.253CS..Hα-helixtrans-61.7-43.3176.5-67.4167.5175.200112.5Y204 D215 V217 L221 M222 R223 N312 V313Y204-E219 HydrophobicContact CD2-CG 4.26Å; Y204-E219 HydrophobicContact CE2-CG 3.54Å; Y204-E219 WeakPolarHBondContact CE2-OE1 3.09Å; Y204-E219 VanDerWaalsContact CZ-OE1 3.3Å; Y204-E219 PolarHBondContact OH-OE1 3.5Å; D215-E219 VanDerWaalsContact O-CG 3.27Å; D215-E219 WeakPolarHBondContact O-CG 3.33Å; D215-E219 PolarHBondContact O-N 3.13Å; V217-E219 PolarHBondContact O-N 3.11Å; E219-L221 VanDerWaalsContact C-N 3.35Å; E219-L221 PolarHBondContact O-N 3.28Å; E219-M222 HydrophobicContact CG-CE 4.39Å; E219-M222 PolarHBondContact O-N 3.26Å; E219-R223 WeakPolarHBondContact O-CG 3.5Å; E219-R223 PolarHBondContact O-N 2.84Å; E219-N312 HydrophobicContact CG-CB 4.11Å; E219-N312 WeakPolarHBondContact OE1-CB 3.44Å; E219-N312 PolarHBondContact OE1-ND2 3.46Å; E219-N312 VanDerWaalsContact OE2-CB 3.3Å; E219-N312 WeakPolarHBondContact OE2-CB 3.27Å; E219-N312 PolarHBondContact OE2-ND2 3.49Å; E219-V313 HydrophobicContact CB-CG2 4.14Å; E219-V313 HydrophobicContact CG-CG2 3.91Å
220G98.9Very high98.4Very high21 Ų2140.1 Ų40.122%0.21623%0.233CC..Hα-helixtrans-62.3-40175.500000113.3S216 V217 S218 S224S216-G220 PolarHBondContact O-N 2.84Å; V217-G220 PolarHBondContact O-N 2.86Å; S218-G220 PolarHBondContact O-N 2.88Å; G220-S224 PolarHBondContact O-N 3.12Å; G220-S224 VanDerWaalsContact O-N 3.09Å; G220-S224 PolarHBondContact O-OG 3.23Å
221L98.9Very high98.6Very high20 Ų2040.2 Ų40.211%0.10522%0.22CC..Hα-helixtrans-68.9-42.1174.9-67.1177000111.4L200 V217 S218 E219 R223 S224 V225 A248 L251 T257L200-L221 HydrophobicContact CD1-CB 3.69Å; L200-L221 HydrophobicContact CD2-CB 3.77Å; L200-L221 HydrophobicContact CD2-CD1 3.76Å; L200-L221 HydrophobicContact CD2-CG 4.42Å; L200-L221 HydrophobicContact CG-CB 4.41Å; V217-L221 HydrophobicContact CG1-CD1 3.94Å; V217-L221 HydrophobicContact CG1-CG 4.35Å; V217-L221 VanDerWaalsContact O-CG 3.32Å; V217-L221 WeakPolarHBondContact O-CG 3.35Å; V217-L221 PolarHBondContact O-N 3.49Å; S218-L221 PolarHBondContact O-N 2.88Å; E219-L221 VanDerWaalsContact C-N 3.35Å; E219-L221 PolarHBondContact O-N 3.28Å; L221-R223 PolarHBondContact O-N 3.21Å; L221-S224 WeakPolarHBondContact O-CA 3.43Å; L221-S224 WeakPolarHBondContact O-CB 3.49Å; L221-S224 PolarHBondContact O-N 3.2Å; L221-S224 VanDerWaalsContact O-N 3.08Å; L221-V225 WeakPolarHBondContact O-CG2 3.46Å; L221-V225 PolarHBondContact O-N 2.92Å; L221-A248 HydrophobicContact CD2-CB 4.38Å; L221-L251 HydrophobicContact CD1-CB 3.84Å; L221-L251 HydrophobicContact CD2-CB 4.33Å; L221-L251 HydrophobicContact CD2-CD1 4.1Å; L221-T257 HydrophobicContact CD1-CG2 4.08Å
222M98.9Very high98.6Very high0 Ų040.1 Ų40.10%022%0.22CC..Hα-helixtrans-59.1-47176-75.6-174.1-93.900111.1M197 L200 I201 Y204 S218 E219 S224 V225 I226 F309 V313M197-M222 HydrophobicContact CE-CB 4.03Å; M197-M222 HydrophobicContact CE-CG 3.9Å; M197-M222 HydrophobicContact CE-SD 4.19Å; M197-M222 HydrophobicContact SD-CB 4.07Å; M197-M222 HydrophobicContact SD-CG 3.99Å; L200-M222 HydrophobicContact CB-CE 4.48Å; L200-M222 HydrophobicContact CB-CG 3.65Å; L200-M222 HydrophobicContact CB-SD 4.22Å; L200-M222 HydrophobicContact CD1-CB 4.4Å; L200-M222 HydrophobicContact CD1-CG 3.64Å; L200-M222 HydrophobicContact CG-CG 4.26Å; I201-M222 HydrophobicContact CG1-SD 3.92Å; Y204-M222 HydrophobicContact CD2-CE 4.07Å; Y204-M222 HydrophobicContact CG-CE 4.05Å; S218-M222 WeakPolarHBondContact O-CG 3.38Å; S218-M222 PolarHBondContact O-N 3.42Å; E219-M222 HydrophobicContact CG-CE 4.39Å; E219-M222 PolarHBondContact O-N 3.26Å; M222-S224 VanDerWaalsContact C-N 3.27Å; M222-S224 PolarHBondContact O-N 3.2Å; M222-V225 PolarHBondContact O-N 3.24Å; M222-V225 VanDerWaalsContact O-N 3.15Å; M222-I226 WeakPolarHBondContact O-CB 3.47Å; M222-I226 WeakPolarHBondContact O-CD1 3.01Å; M222-I226 VanDerWaalsContact O-CG1 3.26Å; M222-I226 WeakPolarHBondContact O-CG1 3.3Å; M222-I226 PolarHBondContact O-N 3.4Å; M222-F309 HydrophobicContact CE-CD2 4.45Å; M222-F309 HydrophobicContact SD-CD2 4.19Å; M222-F309 HydrophobicContact SD-CE2 3.75Å; M222-V313 HydrophobicContact CB-CG1 3.76Å; M222-V313 HydrophobicContact CB-CG2 4.34Å; M222-V313 HydrophobicContact CE-CG2 3.92Å; M222-V313 HydrophobicContact SD-CG1 4.41Å; M222-V313 HydrophobicContact SD-CG2 4.07Å
223R98.9Very high98.7Very high100 Ų10035.5 Ų35.538%0.37720%0.195SC..Hα-helixtrans-59.9-37.4174.7-70.8-171.1-59.9-91-1.9112.4E219 L221 K227 N312E219-R223 WeakPolarHBondContact O-CG 3.5Å; E219-R223 PolarHBondContact O-N 2.84Å; L221-R223 PolarHBondContact O-N 3.21Å; R223-K227 WeakPolarHBondContact O-CB 3.38Å; R223-K227 PolarHBondContact O-N 2.81Å; R223-N312 WeakPolarHBondContact CD-O 3.32Å; R223-N312 PolarHBondContact NH1-O 2.99Å
224S98.9Very high98.8Very high39 Ų3937.4 Ų37.427%0.27320%0.195SC..Hα-helixtrans-63.9-42.1175.5-60.90000112.1G220 L221 M222 N228G220-S224 PolarHBondContact O-N 3.12Å; G220-S224 VanDerWaalsContact O-N 3.09Å; G220-S224 PolarHBondContact O-OG 3.23Å; L221-S224 WeakPolarHBondContact O-CA 3.43Å; L221-S224 WeakPolarHBondContact O-CB 3.49Å; L221-S224 PolarHBondContact O-N 3.2Å; L221-S224 VanDerWaalsContact O-N 3.08Å; M222-S224 VanDerWaalsContact C-N 3.27Å; M222-S224 PolarHBondContact O-N 3.2Å; S224-N228 WeakPolarHBondContact O-CB 3.37Å; S224-N228 PolarHBondContact O-N 2.91Å; S224-N228 PolarHBondContact O-ND2 3.23Å
225V98.9Very high98.8Very high0 Ų042.4 Ų42.40%021%0.214CC..Hα-helixtrans-68-45.9176.6178.10000111.2I196 M197 L221 M222 K227 N228 C229 L245 A248 Y335I196-V225 HydrophobicContact CB-CG2 4.28Å; I196-V225 HydrophobicContact CG2-CG2 3.59Å; M197-V225 HydrophobicContact CG-CB 4.45Å; M197-V225 HydrophobicContact CG-CG1 3.85Å; M197-V225 HydrophobicContact SD-CB 3.86Å; M197-V225 HydrophobicContact SD-CG1 3.91Å; L221-V225 WeakPolarHBondContact O-CG2 3.46Å; L221-V225 PolarHBondContact O-N 2.92Å; M222-V225 PolarHBondContact O-N 3.24Å; M222-V225 VanDerWaalsContact O-N 3.15Å; V225-K227 PolarHBondContact O-N 2.82Å; V225-N228 PolarHBondContact O-N 3.42Å; V225-C229 WeakPolarHBondContact O-CB 3.43Å; V225-C229 PolarHBondContact O-N 3.48Å; V225-L245 HydrophobicContact CB-CD2 4.48Å; V225-L245 HydrophobicContact CG1-CD2 4.1Å; V225-A248 HydrophobicContact CG2-CB 3.87Å; V225-Y335 PolarHBondContact O-OH 3.23Å
226I98.9Very high98.8Very high32 Ų3244.4 Ų44.416%0.16423%0.228CC..Hα-helixtrans-55.3-42.2177.3-70.2162.5000111M197 M222 P230 V313 W314 Y335M197-I226 HydrophobicContact CE-CD1 4.13Å; M197-I226 HydrophobicContact CE-CG1 4.17Å; M197-I226 HydrophobicContact SD-CG1 4.34Å; M222-I226 WeakPolarHBondContact O-CB 3.47Å; M222-I226 WeakPolarHBondContact O-CD1 3.01Å; M222-I226 VanDerWaalsContact O-CG1 3.26Å; M222-I226 WeakPolarHBondContact O-CG1 3.3Å; M222-I226 PolarHBondContact O-N 3.4Å; I226-P230 WeakPolarHBondContact O-CD 3.43Å; I226-P230 WeakPolarHBondContact O-CG 3.13Å; I226-V313 HydrophobicContact CD1-CG1 3.44Å; I226-V313 VanDerWaalsContact CD1-CG1 3.44Å; I226-W314 HydrophobicContact CD1-CD2 4.36Å; I226-W314 HydrophobicContact CD1-CE3 4.21Å; I226-W314 HydrophobicContact CD1-CH2 3.56Å; I226-W314 HydrophobicContact CD1-CZ2 3.73Å; I226-W314 HydrophobicContact CD1-CZ3 3.83Å; I226-W314 HydrophobicContact CG1-CH2 3.84Å; I226-W314 HydrophobicContact CG1-CZ2 4.36Å; I226-W314 HydrophobicContact CG1-CZ3 4.22Å; I226-W314 HydrophobicContact CG2-CH2 4.32Å; I226-W314 HydrophobicContact CG2-CZ3 3.94Å; I226-Y335 HydrophobicContact CB-CE2 4.31Å; I226-Y335 HydrophobicContact CG1-CE2 4.33Å; I226-Y335 HydrophobicContact CG2-CD2 4.38Å; I226-Y335 HydrophobicContact CG2-CE2 4.23Å
227K98.9Very high98.8Very high144 Ų14446.2 Ų46.263%0.62623%0.233SC*.Hα-helixtrans-69.2-49.3176.7179.3-176.8173.3-173.60112.8R223 V225 I231R223-K227 WeakPolarHBondContact O-CB 3.38Å; R223-K227 PolarHBondContact O-N 2.81Å; V225-K227 PolarHBondContact O-N 2.82Å; K227-I231 HydrophobicContact CG-CD1 4.44Å; K227-I231 WeakPolarHBondContact O-CD1 3.13Å; K227-I231 WeakPolarHBondContact O-CG1 3.38Å
228N98.9Very high98.8Very high10 Ų1046.7 Ų46.75%0.05323%0.234CC..Hα-helixtrans-89.1-26.4-164.5-71.3-74.8000114.2S224 V225 I231 A232 A241 N244 L245S224-N228 WeakPolarHBondContact O-CB 3.37Å; S224-N228 PolarHBondContact O-N 2.91Å; S224-N228 PolarHBondContact O-ND2 3.23Å; V225-N228 PolarHBondContact O-N 3.42Å; N228-I231 PolarHBondContact O-N 2.99Å; N228-A232 PolarHBondContact O-N 3.33Å; N228-A241 HydrophobicContact CB-CB 4.34Å; N228-N244 HydrophobicContact CB-CB 4.15Å; N228-N244 WeakPolarHBondContact ND2-CB 3.26Å; N228-L245 HydrophobicContact CB-CD2 4.21Å; N228-L245 HydrophobicContact CB-CG 4.1Å
229C98.9Very high98.8Very high0 Ų050 Ų500%025%0.247CC..Hα-helixtrans-59.8-51.2177.5170.70000112.2S193 V225 I231 A232 L233 L245 Y335S193-C229 VanDerWaalsContact CB-SG 3.58Å; S193-C229 WeakPolarHBondContact OG-CB 3.35Å; S193-C229 PolarHBondContact OG-SG 3.13Å; S193-C229 VanDerWaalsContact OG-SG 3.36Å; V225-C229 WeakPolarHBondContact O-CB 3.43Å; V225-C229 PolarHBondContact O-N 3.48Å; C229-I231 PolarHBondContact O-N 2.98Å; C229-A232 PolarHBondContact O-N 3.39Å; C229-A232 VanDerWaalsContact O-N 3.12Å; C229-L233 VanDerWaalsContact O-CG 3.3Å; C229-L233 WeakPolarHBondContact O-CG 3.27Å; C229-L233 PolarHBondContact O-N 2.93Å; C229-L245 HydrophobicContact CB-CD2 4.1Å; C229-Y335 VanDerWaalsContact CB-OH 3.25Å; C229-Y335 WeakPolarHBondContact CB-OH 3.36Å
230P98.8Very high98.8Very high56 Ų5654.4 Ų54.436%0.36427%0.271SS..Hα-helixtrans-57.5-34.2176.1-26.435.8000113.7I226 K234 Y335I226-P230 WeakPolarHBondContact O-CD 3.43Å; I226-P230 WeakPolarHBondContact O-CG 3.13Å; P230-K234 WeakPolarHBondContact O-CB 3.49Å; P230-K234 PolarHBondContact O-N 2.66Å; P230-K234 VanDerWaalsContact O-N 3.16Å; P230-Y335 HydrophobicContact CG-CE2 4.18Å
231I98.9Very high98.8Very high54 Ų5453.4 Ų53.428%0.27726%0.26SS..Hα-helixtrans-66.6-50.9176.1-59172.3000109.8K227 N228 C229 L233 K234 Y235 D238 A241K227-I231 HydrophobicContact CG-CD1 4.44Å; K227-I231 WeakPolarHBondContact O-CD1 3.13Å; K227-I231 WeakPolarHBondContact O-CG1 3.38Å; N228-I231 PolarHBondContact O-N 2.99Å; C229-I231 PolarHBondContact O-N 2.98Å; I231-L233 VanDerWaalsContact C-N 3.29Å; I231-L233 PolarHBondContact O-N 3.41Å; I231-K234 PolarHBondContact O-N 2.86Å; I231-Y235 HydrophobicContact CG2-CD2 4.24Å; I231-Y235 PolarHBondContact O-N 3.02Å; I231-D238 HydrophobicContact CG2-CB 4.23Å; I231-A241 HydrophobicContact CB-CB 3.89Å; I231-A241 HydrophobicContact CG2-CB 3.67Å
232A98.8Very high98.8Very high1 Ų152.9 Ų52.91%0.00826%0.257CS..Hα-helixtrans-64.3-30.2178.500000113.3T189 N228 C229 K234 Y235 P236 A241 L245T189-A232 HydrophobicContact CG2-CB 4.04Å; N228-A232 PolarHBondContact O-N 3.33Å; C229-A232 PolarHBondContact O-N 3.39Å; C229-A232 VanDerWaalsContact O-N 3.12Å; A232-K234 VanDerWaalsContact C-N 3.33Å; A232-Y235 CarbonylContact O-C 3.52Å; A232-P236 VanDerWaalsContact O-CA 3.26Å; A232-P236 WeakPolarHBondContact O-CA 3.3Å; A232-A241 HydrophobicContact CB-CB 4.1Å; A232-L245 HydrophobicContact CB-CD1 3.64Å
233L98.7Very high98.8Very high19 Ų1953.4 Ų53.410%0.09926%0.261CS..Hα-helixtrans-69.1-32173.2-69.2176.4000112.5K186 T189 A190 C229 I231 C339K186-L233 HydrophobicContact CB-CD2 3.94Å; K186-L233 WeakPolarHBondContact CE-O 3.48Å; K186-L233 HydrophobicContact CG-CD2 4.37Å; K186-L233 PolarHBondContact NZ-O 3.07Å; K186-L233 VanDerWaalsContact O-CD2 3.25Å; K186-L233 WeakPolarHBondContact O-CD2 3.35Å; T189-L233 HydrophobicContact CG2-CD2 3.89Å; T189-L233 HydrophobicContact CG2-CG 4.39Å; A190-L233 HydrophobicContact CB-CD2 4.16Å; C229-L233 VanDerWaalsContact O-CG 3.3Å; C229-L233 WeakPolarHBondContact O-CG 3.27Å; C229-L233 PolarHBondContact O-N 2.93Å; I231-L233 VanDerWaalsContact C-N 3.29Å; I231-L233 PolarHBondContact O-N 3.41Å; L233-C339 HydrophobicContact CD1-CB 3.81Å
234K98.7Very high98.8Very high139 Ų13952 Ų5260%0.60426%0.261SS*.Hα-helixtrans-86.6-40.9179.3-170176.7179.6-162.80112.3P230 I231 A232P230-K234 WeakPolarHBondContact O-CB 3.49Å; P230-K234 PolarHBondContact O-N 2.66Å; P230-K234 VanDerWaalsContact O-N 3.16Å; I231-K234 PolarHBondContact O-N 2.86Å; A232-K234 VanDerWaalsContact C-N 3.33Å
235Y98.7Very high98.8Very high114 Ų11450.3 Ų50.345%0.44725%0.249SC..  trans-127.483.6-176.1-53.2-67000108.6I231 A232 D237 D238I231-Y235 HydrophobicContact CG2-CD2 4.24Å; I231-Y235 PolarHBondContact O-N 3.02Å; A232-Y235 CarbonylContact O-C 3.52Å; Y235-D237 PolarHBondContact O-N 3.18Å; Y235-D237 VanDerWaalsContact O-N 3.14Å; Y235-D238 VanDerWaalsContact O-CB 3.28Å; Y235-D238 WeakPolarHBondContact O-CB 3.44Å; Y235-D238 PolarHBondContact O-N 3.06Å
236P98.2Very high98.8Very high55 Ų5550.3 Ų50.336%0.35725%0.249SC..THydrogen-bonded Turntrans-65.5-17.9-171.725.9-34.9000114.3F182 A232 R242F182-P236 WeakPolarHBondContact CA-O 3.4Å; A232-P236 VanDerWaalsContact O-CA 3.26Å; A232-P236 WeakPolarHBondContact O-CA 3.3Å; P236-R242 PolarHBondContact O-NE 2.88Å; P236-R242 PolarHBondContact O-NH2 2.83Å
237D98.1Very high98.8Very high107 Ų10753.3 Ų53.357%0.57226%0.258SS*.THydrogen-bonded Turntrans-99.98.2176.460.8-22.4000113.6F182 Y235 Y239F182-D237 HydrophobicContact CD2-CB 3.93Å; F182-D237 HydrophobicContact CE2-CB 4.18Å; F182-D237 HydrophobicContact CG-CB 4.2Å; F182-D237 VanDerWaalsContact CZ-O 3.26Å; F182-D237 WeakPolarHBondContact CZ-O 3.42Å; Y235-D237 PolarHBondContact O-N 3.18Å; Y235-D237 VanDerWaalsContact O-N 3.14Å; D237-Y239 PolarHBondContact O-N 3.01Å
238D98.8Very high98.8Very high55 Ų5546.6 Ų46.629%0.29423%0.23SC..  trans-66.4107.1170.8-172.1-61.6000109.7I231 Y235 D240 A241 R242I231-D238 HydrophobicContact CG2-CB 4.23Å; Y235-D238 VanDerWaalsContact O-CB 3.28Å; Y235-D238 WeakPolarHBondContact O-CB 3.44Å; Y235-D238 PolarHBondContact O-N 3.06Å; D238-D240 VanDerWaalsContact C-N 3.33Å; D238-D240 PolarHBondContact O-N 3.22Å; D238-D240 PolarHBondContact OD1-N 3.46Å; D238-D240 VanDerWaalsContact OD1-N 3.1Å; D238-A241 HydrophobicContact CB-CB 4.04Å; D238-A241 WeakPolarHBondContact OD1-CB 3.45Å; D238-A241 PolarHBondContact OD1-N 3.29Å; D238-R242 WeakPolarHBondContact O-CB 3.11Å; D238-R242 VanDerWaalsContact O-CG 3.26Å; D238-R242 WeakPolarHBondContact O-CG 3.47Å; D238-R242 PolarHBondContact O-N 3.17Å; D238-R242 VanDerWaalsContact O-N 3.1Å
239Y98.8Very high98.8Very high70 Ų7046.1 Ų46.128%0.27523%0.227SC..Hα-helixtrans-60-43.4-175.8-178.2-89.5000111.9K16 P178 Q179 F182 D237 R242 A243K16-Y239 HydrophobicContact CB-CE2 4.14Å; K16-Y239 HydrophobicContact CD-CE2 4.44Å; K16-Y239 HydrophobicContact CG-CE2 4.42Å; K16-Y239 PolarHBondContact N-OH 3.31Å; P178-Y239 HydrophobicContact CB-CD2 4.04Å; P178-Y239 HydrophobicContact CB-CE2 3.82Å; P178-Y239 HydrophobicContact CG-CD2 4.45Å; P178-Y239 HydrophobicContact CG-CE1 4.46Å; P178-Y239 HydrophobicContact CG-CE2 3.79Å; Q179-Y239 HydrophobicContact CG-CD2 4.21Å; Q179-Y239 HydrophobicContact CG-CE2 4.29Å; F182-Y239 HydrophobicContact CZ-CD2 4.17Å; D237-Y239 PolarHBondContact O-N 3.01Å; Y239-R242 PolarHBondContact O-N 3.36Å; Y239-A243 HydrophobicContact CD1-CB 4.42Å; Y239-A243 HydrophobicContact CE1-CB 4.2Å; Y239-A243 WeakPolarHBondContact O-CB 3.28Å; Y239-A243 PolarHBondContact O-N 3.44Å
240D98.9Very high98.8Very high107 Ų10746.1 Ų46.157%0.57223%0.227SC*.Hα-helixtrans-70-42.2-174.4-71.4-22.7000110.9D238 R242 A243 N244D238-D240 VanDerWaalsContact C-N 3.33Å; D238-D240 PolarHBondContact O-N 3.22Å; D238-D240 PolarHBondContact OD1-N 3.46Å; D238-D240 VanDerWaalsContact OD1-N 3.1Å; D240-R242 PolarHBondContact O-N 3.18Å; D240-A243 PolarHBondContact O-N 3.14Å; D240-N244 WeakPolarHBondContact O-CB 3.39Å; D240-N244 PolarHBondContact O-N 3.02Å; D240-N244 PolarHBondContact O-ND2 2.95Å
241A98.9Very high98.8Very high0 Ų044.8 Ų44.80%022%0.217CC..Hα-helixtrans-61.2-45.8175.600000111.3N228 I231 A232 D238 N244 L245N228-A241 HydrophobicContact CB-CB 4.34Å; I231-A241 HydrophobicContact CB-CB 3.89Å; I231-A241 HydrophobicContact CG2-CB 3.67Å; A232-A241 HydrophobicContact CB-CB 4.1Å; D238-A241 HydrophobicContact CB-CB 4.04Å; D238-A241 WeakPolarHBondContact OD1-CB 3.45Å; D238-A241 PolarHBondContact OD1-N 3.29Å; A241-N244 PolarHBondContact O-N 2.87Å; A241-L245 VanDerWaalsContact O-CG 3.31Å; A241-L245 WeakPolarHBondContact O-CG 3.47Å; A241-L245 PolarHBondContact O-N 2.65Å
242R98.8Very high98.8Very high9 Ų942.2 Ų42.23%0.03420%0.204CC..Hα-helixtrans-65.4-41.2177.3-68-61.6-161.31761.7112.4P178 T181 F182 V184 T189 P236 D238 Y239 D240 L245 M246P178-R242 HydrophobicContact CB-CB 4.05Å; T181-R242 PolarHBondContact O-NE 2.88Å; T181-R242 PolarHBondContact O-NH2 3.17Å; T181-R242 WeakPolarHBondContact OG1-CB 3.49Å; T181-R242 VanDerWaalsContact OG1-CD 3.24Å; T181-R242 WeakPolarHBondContact OG1-CD 3.49Å; T181-R242 WeakPolarHBondContact OG1-CG 3.39Å; F182-R242 HydrophobicContact CD1-CB 4.49Å; F182-R242 HydrophobicContact CD1-CG 3.92Å; F182-R242 HydrophobicContact CE1-CB 4.18Å; F182-R242 HydrophobicContact CE1-CG 3.94Å; V184-R242 PolarHBondContact O-NH2 3.36Å; T189-R242 PolarHBondContact OG1-NH1 3.21Å; P236-R242 PolarHBondContact O-NE 2.88Å; P236-R242 PolarHBondContact O-NH2 2.83Å; D238-R242 WeakPolarHBondContact O-CB 3.11Å; D238-R242 VanDerWaalsContact O-CG 3.26Å; D238-R242 WeakPolarHBondContact O-CG 3.47Å; D238-R242 PolarHBondContact O-N 3.17Å; D238-R242 VanDerWaalsContact O-N 3.1Å; Y239-R242 PolarHBondContact O-N 3.36Å; D240-R242 PolarHBondContact O-N 3.18Å; R242-L245 PolarHBondContact O-N 3.03Å; R242-M246 VanDerWaalsContact O-CB 3.24Å; R242-M246 WeakPolarHBondContact O-CB 3.3Å; R242-M246 PolarHBondContact O-N 3.02Å
243A98.9Very high98.7Very high10 Ų1044 Ų448%0.08321%0.213CC..Hα-helixtrans-61.7-4517700000111.5F14 P178 Y239 D240 M246 W247F14-A243 HydrophobicContact CE1-CB 4.35Å; F14-A243 HydrophobicContact CZ-CB 3.92Å; P178-A243 HydrophobicContact CB-CB 4.16Å; P178-A243 HydrophobicContact CG-CB 3.66Å; Y239-A243 HydrophobicContact CD1-CB 4.42Å; Y239-A243 HydrophobicContact CE1-CB 4.2Å; Y239-A243 WeakPolarHBondContact O-CB 3.28Å; Y239-A243 PolarHBondContact O-N 3.44Å; D240-A243 PolarHBondContact O-N 3.14Å; A243-M246 PolarHBondContact O-N 2.79Å; A243-W247 WeakPolarHBondContact O-CB 3.24Å; A243-W247 PolarHBondContact O-N 3.37Å
244N98.9Very high98.6Very high70 Ų7043.9 Ų43.937%0.37421%0.212SC..Hα-helixtrans-66.7-43.3178.4-82.3-87.7000112.1N228 D240 A241 A248N228-N244 HydrophobicContact CB-CB 4.15Å; N228-N244 WeakPolarHBondContact ND2-CB 3.26Å; D240-N244 WeakPolarHBondContact O-CB 3.39Å; D240-N244 PolarHBondContact O-N 3.02Å; D240-N244 PolarHBondContact O-ND2 2.95Å; A241-N244 PolarHBondContact O-N 2.87Å; N244-A248 WeakPolarHBondContact O-CB 3.18Å; N244-A248 PolarHBondContact O-N 3.29Å
245L98.9Very high98.5Very high5 Ų538.1 Ų38.13%0.02619%0.193CC..Hα-helixtrans-63.9-43.7176.1-69.1173.1000111.8A141 T189 V225 N228 C229 A232 A241 R242 A248 S249A141-L245 HydrophobicContact CB-CB 4.35Å; T189-L245 HydrophobicContact CG2-CD1 4.45Å; V225-L245 HydrophobicContact CB-CD2 4.48Å; V225-L245 HydrophobicContact CG1-CD2 4.1Å; N228-L245 HydrophobicContact CB-CD2 4.21Å; N228-L245 HydrophobicContact CB-CG 4.1Å; C229-L245 HydrophobicContact CB-CD2 4.1Å; A232-L245 HydrophobicContact CB-CD1 3.64Å; A241-L245 VanDerWaalsContact O-CG 3.31Å; A241-L245 WeakPolarHBondContact O-CG 3.47Å; A241-L245 PolarHBondContact O-N 2.65Å; R242-L245 PolarHBondContact O-N 3.03Å; L245-A248 PolarHBondContact O-N 3.33Å; L245-S249 WeakPolarHBondContact O-CB 3.13Å; L245-S249 PolarHBondContact O-N 2.81Å
246M98.9Very high98.3Very high0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-57.9-54.3176.4-178.8174.3-73.200110.9F14 L138 A141 L176 P178 T181 R242 A243 A248 S249 T250F14-M246 HydrophobicContact CE2-CG 4.28Å; F14-M246 HydrophobicContact CE2-SD 4.19Å; L138-M246 HydrophobicContact CD2-CE 4.27Å; L138-M246 HydrophobicContact CD2-CG 3.87Å; L138-M246 HydrophobicContact CD2-SD 4.33Å; A141-M246 HydrophobicContact CB-CB 4.36Å; L176-M246 VanDerWaalsContact C-SD 3.56Å; L176-M246 HydrophobicContact CB-CG 4.37Å; L176-M246 HydrophobicContact CB-SD 3.55Å; L176-M246 VanDerWaalsContact CB-SD 3.55Å; L176-M246 HydrophobicContact CD2-CG 4.28Å; L176-M246 HydrophobicContact CG-CG 4.35Å; L176-M246 HydrophobicContact CG-SD 4.03Å; P178-M246 HydrophobicContact CG-SD 4.45Å; T181-M246 HydrophobicContact CG2-CE 3.34Å; R242-M246 VanDerWaalsContact O-CB 3.24Å; R242-M246 WeakPolarHBondContact O-CB 3.3Å; R242-M246 PolarHBondContact O-N 3.02Å; A243-M246 PolarHBondContact O-N 2.79Å; M246-A248 PolarHBondContact O-N 2.81Å; M246-S249 PolarHBondContact O-N 2.93Å; M246-S249 PolarHBondContact O-OG 3.14Å; M246-T250 PolarHBondContact O-N 3.37Å; M246-T250 VanDerWaalsContact O-N 3.1Å; M246-T250 PolarHBondContact O-OG1 3.38Å
247W98.9Very high98.3Very high94 Ų9433.2 Ų33.236%0.35617%0.171SC..Hα-helixtrans-67.4-36.7-177.6-165.3-127.1000113I12 F14 L176 A243 S249 T250 L251I12-W247 HydrophobicContact CG1-CH2 4.44Å; I12-W247 HydrophobicContact CG1-CZ3 4.36Å; I12-W247 HydrophobicContact CG2-CH2 4.4Å; I12-W247 HydrophobicContact CG2-CZ3 3.93Å; F14-W247 HydrophobicContact CD2-CE3 4.04Å; F14-W247 HydrophobicContact CE2-CB 4.04Å; F14-W247 HydrophobicContact CE2-CE3 4.27Å; F14-W247 HydrophobicContact CZ-CB 4.39Å; L176-W247 HydrophobicContact CD2-CE3 4.05Å; L176-W247 HydrophobicContact CD2-CZ3 4.09Å; A243-W247 WeakPolarHBondContact O-CB 3.24Å; A243-W247 PolarHBondContact O-N 3.37Å; W247-S249 VanDerWaalsContact C-N 3.32Å; W247-S249 PolarHBondContact O-N 2.95Å; W247-T250 HydrophobicContact CE3-CG2 4.16Å; W247-T250 HydrophobicContact CZ3-CG2 3.82Å; W247-T250 PolarHBondContact O-N 3.12Å; W247-L251 HydrophobicContact CD2-CD1 4.46Å; W247-L251 HydrophobicContact CD2-CG 4.31Å; W247-L251 HydrophobicContact CG-CD1 4.39Å; W247-L251 HydrophobicContact CH2-CD2 4.35Å; W247-L251 HydrophobicContact CZ2-CD1 4.45Å; W247-L251 HydrophobicContact CZ2-CD2 3.9Å; W247-L251 HydrophobicContact CZ2-CG 4.29Å; W247-L251 WeakPolarHBondContact O-CG 3.26Å; W247-L251 PolarHBondContact O-N 3.09Å
248A98.9Very high98.2Very high3 Ų329 Ų293%0.02515%0.152CC..Hα-helixtrans-61-41.4172.900000111.6I196 L221 V225 N244 L245 M246 T250 L251 A252I196-A248 HydrophobicContact CG2-CB 4.42Å; L221-A248 HydrophobicContact CD2-CB 4.38Å; V225-A248 HydrophobicContact CG2-CB 3.87Å; N244-A248 WeakPolarHBondContact O-CB 3.18Å; N244-A248 PolarHBondContact O-N 3.29Å; L245-A248 PolarHBondContact O-N 3.33Å; M246-A248 PolarHBondContact O-N 2.81Å; A248-T250 PolarHBondContact O-N 3.4Å; A248-L251 PolarHBondContact O-N 2.91Å; A248-A252 WeakPolarHBondContact O-CB 3.19Å; A248-A252 PolarHBondContact O-N 3.1Å
249S98.8Very high98.1Very high0 Ų027.5 Ų27.50%015%0.146CC..Hα-helixtrans-62.2-42.8176.576.20000112.7G144 I196 L245 M246 W247 L251 A252G144-S249 WeakPolarHBondContact CA-O 3.41Å; I196-S249 VanDerWaalsContact CG1-CB 3.49Å; L245-S249 WeakPolarHBondContact O-CB 3.13Å; L245-S249 PolarHBondContact O-N 2.81Å; M246-S249 PolarHBondContact O-N 2.93Å; M246-S249 PolarHBondContact O-OG 3.14Å; W247-S249 VanDerWaalsContact C-N 3.32Å; W247-S249 PolarHBondContact O-N 2.95Å; S249-L251 PolarHBondContact O-N 3.45Å; S249-A252 PolarHBondContact O-N 3.49Å
250T98.8Very high98Very high0 Ų024.4 Ų24.40%014%0.136CC..Hα-helixtrans-60.5-48.2177.2-50.50000111.2E146 M147 L176 M246 W247 A248 N254E146-T250 HydrophobicContact CG-CG2 4.36Å; E146-T250 VanDerWaalsContact OE1-CA 3.23Å; E146-T250 WeakPolarHBondContact OE1-CA 3.46Å; E146-T250 WeakPolarHBondContact OE1-CB 3.45Å; E146-T250 WeakPolarHBondContact OE1-CG2 3.36Å; E146-T250 PolarHBondContact OE1-OG1 3.2Å; M147-T250 HydrophobicContact CB-CG2 3.48Å; M147-T250 VanDerWaalsContact CB-CG2 3.48Å; M147-T250 HydrophobicContact CG-CG2 4.08Å; M147-T250 HydrophobicContact SD-CG2 3.5Å; M147-T250 VanDerWaalsContact SD-CG2 3.5Å; L176-T250 HydrophobicContact CD2-CG2 4.24Å; L176-T250 WeakPolarHBondContact CD2-OG1 3.31Å; M246-T250 PolarHBondContact O-N 3.37Å; M246-T250 VanDerWaalsContact O-N 3.1Å; M246-T250 PolarHBondContact O-OG1 3.38Å; W247-T250 HydrophobicContact CE3-CG2 4.16Å; W247-T250 HydrophobicContact CZ3-CG2 3.82Å; W247-T250 PolarHBondContact O-N 3.12Å; A248-T250 PolarHBondContact O-N 3.4Å; T250-N254 WeakPolarHBondContact O-CB 3.41Å; T250-N254 PolarHBondContact O-N 2.74Å
251L98.7Very high97.9Very high29 Ų2919.5 Ų19.515%0.15211%0.11CC..Hα-helixtrans-74.5-28-178-64.7-178.7000113.4L221 W247 A248 S249 L253 N254 L256L221-L251 HydrophobicContact CD1-CB 3.84Å; L221-L251 HydrophobicContact CD2-CB 4.33Å; L221-L251 HydrophobicContact CD2-CD1 4.1Å; W247-L251 HydrophobicContact CD2-CD1 4.46Å; W247-L251 HydrophobicContact CD2-CG 4.31Å; W247-L251 HydrophobicContact CG-CD1 4.39Å; W247-L251 HydrophobicContact CH2-CD2 4.35Å; W247-L251 HydrophobicContact CZ2-CD1 4.45Å; W247-L251 HydrophobicContact CZ2-CD2 3.9Å; W247-L251 HydrophobicContact CZ2-CG 4.29Å; W247-L251 WeakPolarHBondContact O-CG 3.26Å; W247-L251 PolarHBondContact O-N 3.09Å; A248-L251 PolarHBondContact O-N 2.91Å; S249-L251 PolarHBondContact O-N 3.45Å; L251-L253 PolarHBondContact O-N 3.41Å; L251-N254 PolarHBondContact O-OD1 3.31Å; L251-L256 HydrophobicContact CD2-CD2 4.41Å
252A98.7Very high97.7Very high0 Ų022.6 Ų22.60%013%0.13CC..Hα-helixtrans-62.2-30-178.900000112.8I196 H199 L200 A248 S249 T257I196-A252 HydrophobicContact CG2-CB 3.92Å; H199-A252 HydrophobicContact CB-CB 4.15Å; L200-A252 HydrophobicContact CD1-CB 4.45Å; L200-A252 HydrophobicContact CD2-CB 3.67Å; L200-A252 HydrophobicContact CG-CB 3.81Å; A248-A252 WeakPolarHBondContact O-CB 3.19Å; A248-A252 PolarHBondContact O-N 3.1Å; S249-A252 PolarHBondContact O-N 3.49Å; A252-T257 PolarHBondContact O-OG1 3.41Å
253L97.4Very high97.4Very high38 Ų3824 Ų2420%0.19915%0.147CC..Hα-helixtrans-13011.1-176.2-161.849.4000116.2T143 N148 H199 L251 G255 W265T143-L253 VanDerWaalsContact O-CD2 3.26Å; T143-L253 WeakPolarHBondContact O-CD2 3.42Å; N148-L253 VanDerWaalsContact CB-O 3.26Å; N148-L253 WeakPolarHBondContact CB-O 3.14Å; H199-L253 WeakPolarHBondContact NE2-CD2 3.15Å; L251-L253 PolarHBondContact O-N 3.41Å; L253-G255 PolarHBondContact O-N 3.06Å; L253-W265 HydrophobicContact CD1-CH2 3.29Å; L253-W265 HydrophobicContact CD1-CZ2 3.64Å; L253-W265 HydrophobicContact CD1-CZ3 4.48Å; L253-W265 HydrophobicContact CD2-CH2 4.02Å; L253-W265 HydrophobicContact CG-CH2 4.29Å
254N97.2Very high97.2Very high16 Ų1624.1 Ų24.19%0.08615%0.148CC..SBendtrans-74.3-7.7172.273.10.8000113.5V8 M147 T250 L251 L256V8-N254 HydrophobicContact CG1-CB 4.13Å; V8-N254 WeakPolarHBondContact CG2-O 3.41Å; M147-N254 HydrophobicContact CB-CB 4.26Å; M147-N254 HydrophobicContact CG-CB 4.06Å; M147-N254 WeakPolarHBondContact O-CB 3.42Å; M147-N254 HydrophobicContact SD-CB 4.05Å; T250-N254 WeakPolarHBondContact O-CB 3.41Å; T250-N254 PolarHBondContact O-N 2.74Å; L251-N254 PolarHBondContact O-OD1 3.31Å; N254-L256 WeakPolarHBondContact OD1-CB 3.28Å; N254-L256 PolarHBondContact OD1-N 3.44Å
255G95.5Very high97.1Very high19 Ų1923.6 Ų23.620%0.19614%0.14CC..SBendtrans109-10.8-178.300000114.2L253 T257 G258 S259L253-G255 PolarHBondContact O-N 3.06Å; G255-T257 PolarHBondContact O-N 3.15Å; G255-G258 PolarHBondContact O-N 3.28Å; G255-S259 VanDerWaalsContact O-CB 3.22Å; G255-S259 WeakPolarHBondContact O-CB 3.35Å; G255-S259 PolarHBondContact O-N 3.03Å; G255-S259 PolarHBondContact O-OG 3.48Å
256L96Very high97Very high66 Ų6623.4 Ų23.435%0.34614%0.14SC..THydrogen-bonded Turntrans-58.7-36.7-178.3-179.663.6000112.5V217 L251 N254V217-L256 HydrophobicContact CG1-CD2 3.79Å; V217-L256 HydrophobicContact CG1-CG 4.07Å; L251-L256 HydrophobicContact CD2-CD2 4.41Å; N254-L256 WeakPolarHBondContact OD1-CB 3.28Å; N254-L256 PolarHBondContact OD1-N 3.44Å
257T97.3Very high97Very high0 Ų023.4 Ų23.40%014%0.14CC..THydrogen-bonded Turntrans-90.5-23.1-177.453.60000113.7L200 N203 V217 S218 L221 A252 G255L200-T257 HydrophobicContact CD2-CG2 3.93Å; N203-T257 PolarHBondContact ND2-OG1 3.04Å; V217-T257 HydrophobicContact CG1-CG2 4.03Å; S218-T257 WeakPolarHBondContact OG-CB 3.33Å; S218-T257 WeakPolarHBondContact OG-CG2 3.34Å; L221-T257 HydrophobicContact CD1-CG2 4.08Å; A252-T257 PolarHBondContact O-OG1 3.41Å; G255-T257 PolarHBondContact O-N 3.15Å
258G96.2Very high97Very high18 Ų1819.4 Ų19.419%0.18613%0.125CC..THydrogen-bonded Turntrans-106.1-17.9-175.500000115.5G255 G260 K261G255-G258 PolarHBondContact O-N 3.28Å; G258-G260 PolarHBondContact O-N 2.87Å; G258-K261 PolarHBondContact O-N 3.48Å; G258-K261 VanDerWaalsContact O-N 3.16Å
259S96.4Very high96.9Very high23 Ų2320.2 Ų20.216%0.16113%0.13CC..THydrogen-bonded Turntrans-67.6133.5-175.7-62.10000111.8F4 Q214 G255 K261F4-S259 VanDerWaalsContact CD2-CB 3.41Å; Q214-S259 PolarHBondContact NE2-O 2.94Å; G255-S259 VanDerWaalsContact O-CB 3.22Å; G255-S259 WeakPolarHBondContact O-CB 3.35Å; G255-S259 PolarHBondContact O-N 3.03Å; G255-S259 PolarHBondContact O-OG 3.48Å; S259-K261 VanDerWaalsContact C-N 3.27Å
260G97.1Very high96.9Very high6 Ų620.2 Ų20.26%0.06213%0.13CC..THydrogen-bonded Turntrans77.68.4-175.300000114.6E2 F4 T208 G258E2-G260 PolarHBondContact N-O 3.36Å; E2-G260 VanDerWaalsContact N-O 3.08Å; F4-G260 VanDerWaalsContact CD1-N 3.33Å; T208-G260 WeakPolarHBondContact CG2-O 3.32Å; G258-G260 PolarHBondContact O-N 2.87Å
261K96.2Very high96.9Very high4 Ų420.2 Ų20.22%0.01713%0.13CC..  trans-127.766.8178.1-58.7-17372.1-170.30111.9N203 Y204 K206 T211 Q214 D215 G258 S259N203-K261 WeakPolarHBondContact O-CE 3.34Å; N203-K261 PolarHBondContact O-NZ 3.4Å; Y204-K261 PolarHBondContact O-NZ 3.01Å; K206-K261 HydrophobicContact CB-CB 4.37Å; K206-K261 HydrophobicContact CG-CB 4.2Å; T211-K261 HydrophobicContact CG2-CD 3.91Å; T211-K261 HydrophobicContact CG2-CG 3.5Å; T211-K261 VanDerWaalsContact CG2-CG 3.5Å; T211-K261 VanDerWaalsContact OG1-CE 3.28Å; T211-K261 WeakPolarHBondContact OG1-CE 3.46Å; Q214-K261 HydrophobicContact CB-CD 3.65Å; Q214-K261 HydrophobicContact CB-CG 4.47Å; Q214-K261 HydrophobicContact CG-CD 4.01Å; Q214-K261 HydrophobicContact CG-CG 4.32Å; D215-K261 IonicContact OD1-NZ 2.59Å; D215-K261 PolarHBondContact OD1-NZ 3.44Å; G258-K261 PolarHBondContact O-N 3.48Å; G258-K261 VanDerWaalsContact O-N 3.16Å; S259-K261 VanDerWaalsContact C-N 3.27Å
262P94.2Very high96.8Very high65 Ų6520 Ų2042%0.42213%0.128SC..  trans-64.2170.5-178.230-35.8000112.5E2E2-P262 HydrophobicContact CG-CG 4.39Å; E2-P262 VanDerWaalsContact OE1-CG 3.27Å; E2-P262 WeakPolarHBondContact OE1-CG 3.38Å; E2-P262 VanDerWaalsContact OE2-CG 3.3Å; E2-P262 WeakPolarHBondContact OE2-CG 3.36Å
263G92.7Very high96.7Very high38 Ų3820.2 Ų20.239%0.39213%0.129SC..SBendtrans127.9159.5-178.700000111.2K206 D371K206-G263 PolarHBondContact NZ-O 2.91Å; G263-D371 CarbonylContact C-O 3.57Å; G263-D371 WeakPolarHBondContact CA-O 3.47Å
264A95Very high96.7Very high12 Ų1218.4 Ų18.410%0.09912%0.12CC..  trans-72.6148.3176.800000111.6K206 I368 D371 A372K206-A264 PolarHBondContact NZ-O 2.8Å; A264-I368 HydrophobicContact CB-CG2 3.95Å; A264-D371 HydrophobicContact CB-CB 4.14Å; A264-D371 PolarHBondContact N-O 3.37Å; A264-A372 HydrophobicContact CB-CB 4.43Å
265W97.2Very high96.6Very high59 Ų5917.8 Ų17.822%0.22312%0.117CC..  trans-80.1136.7160.4-72.4-12.8000108.4H199 E202 N203 K206 L253 H268 P269 I368H199-W265 AromaticContact CD2-CH2 3.41Å; H199-W265 VanDerWaalsContact CD2-CH2 3.41Å; H199-W265 WeakPolarHBondContact CD2-CH2 3.45Å; H199-W265 AromaticContact CD2-CZ3 3.68Å; E202-W265 HydrophobicContact CB-CB 4.24Å; E202-W265 VanDerWaalsContact CB-CD1 3.46Å; E202-W265 HydrophobicContact CB-CD2 4.05Å; E202-W265 HydrophobicContact CB-CG 3.72Å; E202-W265 HydrophobicContact CG-CB 4.5Å; E202-W265 HydrophobicContact CG-CG 4.42Å; E202-W265 WeakPolarHBondContact OE1-CA 3.47Å; E202-W265 WeakPolarHBondContact OE2-CB 3.24Å; N203-W265 PolarHBondContact OD1-NE1 2.78Å; K206-W265 VanDerWaalsContact NZ-CD1 3.34Å; L253-W265 HydrophobicContact CD1-CH2 3.29Å; L253-W265 HydrophobicContact CD1-CZ2 3.64Å; L253-W265 HydrophobicContact CD1-CZ3 4.48Å; L253-W265 HydrophobicContact CD2-CH2 4.02Å; L253-W265 HydrophobicContact CG-CH2 4.29Å; W265-H268 HydrophobicContact CE3-CB 3.96Å; W265-H268 AromaticContact CE3-CD2 3.91Å; W265-H268 AromaticContact CE3-CE1 3.78Å; W265-H268 AromaticContact CE3-CG 3.52Å; W265-H268 AromaticContact CE3-ND1 3.44Å; W265-H268 AromaticContact CZ3-CD2 3.75Å; W265-H268 AromaticContact CZ3-CE1 3.7Å; W265-H268 AromaticContact CZ3-CG 3.86Å; W265-H268 AromaticContact CZ3-ND1 3.83Å; W265-H268 AromaticContact CZ3-NE2 3.63Å; W265-P269 WeakPolarHBondContact O-CD 3.05Å; W265-P269 VanDerWaalsContact O-CG 3.25Å; W265-P269 WeakPolarHBondContact O-CG 3.48Å; W265-I368 WeakPolarHBondContact O-CG2 3.48Å
266S97.8Very high96.5Very high2 Ų217.6 Ų17.61%0.01411%0.113CC..SBendtrans-88.5-46.7-176.1-45.60000111.8E202 M270 W293E202-S266 PolarHBondContact OE1-N 3.1Å; S266-M270 WeakPolarHBondContact O-CE 3.15Å; S266-M270 WeakPolarHBondContact O-CG 3.4Å; S266-W293 PolarHBondContact OG-NE1 3.28Å
267C98.6Very high96.3Very high0 Ų016.5 Ų16.50%011%0.106CC..Hα-helixtrans-78.3-40.1-171.4-65.30000112.6E202 M270 E271 L286E202-C267 PolarHBondContact OE1-N 2.7Å; E202-C267 WeakPolarHBondContact OE2-CA 3.36Å; E202-C267 WeakPolarHBondContact OE2-CB 3.27Å; E202-C267 PolarHBondContact OE2-N 2.95Å; C267-M270 PolarHBondContact O-N 2.97Å; C267-E271 PolarHBondContact O-N 3.44Å; C267-L286 HydrophobicContact CB-CD2 4.01Å
268H98Very high96.1Very high9 Ų919.9 Ų19.94%0.04212%0.119CC..Hα-helixtrans-60.4-46.2-178-74.672.9000113.5H199 E202 W265 M270 E271 H272 H282H199-H268 AromaticContact CD2-CE1 3.59Å; H199-H268 AromaticContact CD2-NE2 3.22Å; H199-H268 PolarHBondContact CD2-NE2 3.48Å; H199-H268 AromaticContact NE2-CE1 4Å; H199-H268 AromaticContact NE2-NE2 3.18Å; H199-H268 PolarHBondContact NE2-NE2 3.11Å; H199-H268 VanDerWaalsContact NE2-NE2 3.18Å; E202-H268 IonicContact OE2-CE1 3.56Å; E202-H268 IonicContact OE2-CG 2.95Å; E202-H268 PolarHBondContact OE2-N 2.65Å; E202-H268 IonicContact OE2-ND1 3.28Å; E202-H268 PolarHBondContact OE2-ND1 3.33Å; W265-H268 HydrophobicContact CE3-CB 3.96Å; W265-H268 AromaticContact CE3-CD2 3.91Å; W265-H268 AromaticContact CE3-CE1 3.78Å; W265-H268 AromaticContact CE3-CG 3.52Å; W265-H268 AromaticContact CE3-ND1 3.44Å; W265-H268 AromaticContact CZ3-CD2 3.75Å; W265-H268 AromaticContact CZ3-CE1 3.7Å; W265-H268 AromaticContact CZ3-CG 3.86Å; W265-H268 AromaticContact CZ3-ND1 3.83Å; W265-H268 AromaticContact CZ3-NE2 3.63Å; H268-M270 VanDerWaalsContact C-N 3.32Å; H268-M270 PolarHBondContact O-N 3.44Å; H268-E271 PolarHBondContact O-N 3.29Å; H268-H272 WeakPolarHBondContact O-CB 3.37Å; H268-H272 PolarHBondContact O-CD2 3.07Å; H268-H272 VanDerWaalsContact O-CD2 3.3Å; H268-H272 PolarHBondContact O-N 2.94Å; H268-H282 AromaticContact CD2-CE1 3.93Å; H268-H282 AromaticContact CD2-NE2 3.56Å; H268-H282 AromaticContact NE2-NE2 3.92Å
269P97.5Very high95.7Very high21 Ų2123.2 Ų23.214%0.13613%0.133CC..Hα-helixtrans-60.2-40.5174.8-26.837.7000113W265 H272 E273 I368W265-P269 WeakPolarHBondContact O-CD 3.05Å; W265-P269 VanDerWaalsContact O-CG 3.25Å; W265-P269 WeakPolarHBondContact O-CG 3.48Å; P269-H272 PolarHBondContact O-N 2.69Å; P269-E273 WeakPolarHBondContact O-CG 3.48Å; P269-I368 HydrophobicContact CB-CD1 4.38Å; P269-I368 HydrophobicContact CB-CG2 4.32Å; P269-I368 HydrophobicContact CG-CG2 3.87Å
270M98.6Very high95.6Very high0 Ų022.8 Ų22.80%013%0.128CC..Hα-helixtrans-64.5-42.2175.5-65.5-171.2-69.900111.8S266 C267 H268 E273 L274 L289 W293 I368 L376 V381 I384 F385S266-M270 WeakPolarHBondContact O-CE 3.15Å; S266-M270 WeakPolarHBondContact O-CG 3.4Å; C267-M270 PolarHBondContact O-N 2.97Å; H268-M270 VanDerWaalsContact C-N 3.32Å; H268-M270 PolarHBondContact O-N 3.44Å; M270-E273 PolarHBondContact O-N 2.96Å; M270-L274 PolarHBondContact O-N 3.33Å; M270-L289 HydrophobicContact CB-CD1 4.11Å; M270-W293 HydrophobicContact CE-CB 4.31Å; M270-W293 HydrophobicContact CE-CG 4.43Å; M270-I368 HydrophobicContact CG-CD1 4.43Å; M270-L376 HydrophobicContact CE-CD1 4.13Å; M270-L376 HydrophobicContact SD-CD1 4.2Å; M270-V381 HydrophobicContact CG-CG1 3.81Å; M270-V381 HydrophobicContact CG-CG2 4.18Å; M270-V381 HydrophobicContact SD-CB 4.24Å; M270-V381 HydrophobicContact SD-CG1 3.83Å; M270-V381 HydrophobicContact SD-CG2 4Å; M270-I384 HydrophobicContact CE-CD1 4.12Å; M270-I384 HydrophobicContact CE-CG2 4.24Å; M270-I384 HydrophobicContact SD-CB 4.45Å; M270-I384 HydrophobicContact SD-CD1 4.12Å; M270-I384 HydrophobicContact SD-CG2 4.28Å; M270-F385 HydrophobicContact CB-CE1 4.05Å; M270-F385 HydrophobicContact CB-CZ 4Å
271E98.4Very high95.5Very high0 Ų024.2 Ų24.20%014%0.136CC..Hα-helixtrans-66.8-40.2178.5-163.1-71.7157.900111.7K161 C267 H268 E273 L274 S275 H282 L286 L289K161-E271 IonicContact NZ-OE2 3.18Å; C267-E271 PolarHBondContact O-N 3.44Å; H268-E271 PolarHBondContact O-N 3.29Å; E271-E273 PolarHBondContact O-N 3.3Å; E271-L274 WeakPolarHBondContact O-CA 3.49Å; E271-L274 WeakPolarHBondContact O-CB 3.47Å; E271-L274 PolarHBondContact O-N 3.11Å; E271-S275 VanDerWaalsContact CD-OG 3.24Å; E271-S275 PolarHBondContact O-N 3.2Å; E271-S275 PolarHBondContact OE1-OG 3.48Å; E271-S275 PolarHBondContact OE2-OG 3.31Å; E271-H282 WeakPolarHBondContact OE1-CA 3.04Å; E271-H282 IonicContact OE1-ND1 3.06Å; E271-H282 IonicContact OE2-CE1 2.66Å; E271-H282 PolarHBondContact OE2-CE1 3.03Å; E271-H282 IonicContact OE2-CG 2.76Å; E271-H282 IonicContact OE2-ND1 3.95Å; E271-H282 PolarHBondContact OE2-ND1 3.41Å; E271-L286 HydrophobicContact CB-CD2 3.86Å; E271-L286 HydrophobicContact CB-CG 4.2Å; E271-L286 HydrophobicContact CG-CD2 4.25Å; E271-L286 HydrophobicContact CG-CG 4.03Å; E271-L289 HydrophobicContact CB-CD1 3.79Å; E271-L289 HydrophobicContact CG-CD1 4.28Å
272H97.1Very high95.6Very high25 Ų2525.6 Ų25.612%0.11614%0.142CC..Hα-helixtrans-54.3-34.1-179.6-76.4179.7000112K161 H268 P269 A276 H282K161-H272 HydrophobicContact CB-CB 4.33Å; K161-H272 HydrophobicContact CG-CB 4.45Å; K161-H272 PolarHBondContact O-ND1 3.2Å; H268-H272 WeakPolarHBondContact O-CB 3.37Å; H268-H272 PolarHBondContact O-CD2 3.07Å; H268-H272 VanDerWaalsContact O-CD2 3.3Å; H268-H272 PolarHBondContact O-N 2.94Å; P269-H272 PolarHBondContact O-N 2.69Å; H272-A276 WeakPolarHBondContact O-CB 3.42Å; H272-A276 PolarHBondContact O-N 3.31Å; H272-H282 AromaticContact CD2-CE1 3.78Å; H272-H282 AromaticContact NE2-CE1 3.91Å
273E97.2Very high95.8Very high3 Ų322.6 Ų22.61%0.01412%0.124CC..Hα-helixtrans-69.1-44.4174.1-52.2-54.2148.100111.7P269 M270 E271 S275 A276 F277 M358 Q361 A362 H365P269-E273 WeakPolarHBondContact O-CG 3.48Å; M270-E273 PolarHBondContact O-N 2.96Å; E271-E273 PolarHBondContact O-N 3.3Å; E273-S275 VanDerWaalsContact C-N 3.33Å; E273-S275 PolarHBondContact O-N 3.04Å; E273-A276 PolarHBondContact O-N 2.86Å; E273-A276 VanDerWaalsContact O-N 3.12Å; E273-F277 WeakPolarHBondContact O-CD2 3.49Å; E273-F277 PolarHBondContact O-N 3.25Å; E273-M358 HydrophobicContact CB-CB 3.77Å; E273-M358 HydrophobicContact CB-CG 3.86Å; E273-M358 HydrophobicContact CB-SD 4.23Å; E273-Q361 VanDerWaalsContact CD-CB 3.48Å; E273-Q361 HydrophobicContact CG-CB 4.27Å; E273-Q361 WeakPolarHBondContact OE2-CB 3.41Å; E273-Q361 PolarHBondContact OE2-OE1 3Å; E273-A362 HydrophobicContact CG-CB 3.95Å; E273-H365 IonicContact OE1-ND1 3.93Å; E273-H365 PolarHBondContact OE1-ND1 3.48Å
274L96.7Very high96.1Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-55.8-48.4172.6-61.3175.5000111.5M270 E271 A276 Y278 I280 L289 L345 I350 M358 F385M270-L274 PolarHBondContact O-N 3.33Å; E271-L274 WeakPolarHBondContact O-CA 3.49Å; E271-L274 WeakPolarHBondContact O-CB 3.47Å; E271-L274 PolarHBondContact O-N 3.11Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 3Å; L274-Y278 WeakPolarHBondContact O-CB 3.17Å; L274-Y278 PolarHBondContact O-N 3.33Å; L274-I280 HydrophobicContact CB-CG2 3.99Å; L274-L289 HydrophobicContact CD1-CD1 3.79Å; L274-L289 HydrophobicContact CD1-CD2 4.37Å; L274-L289 HydrophobicContact CD1-CG 4.15Å; L274-L345 HydrophobicContact CD1-CD2 3.88Å; L274-L345 HydrophobicContact CD2-CD1 4.33Å; L274-L345 HydrophobicContact CD2-CD2 4.06Å; L274-I350 HydrophobicContact CB-CD1 4.45Å; L274-I350 HydrophobicContact CD2-CD1 4.25Å; L274-I350 HydrophobicContact CD2-CG2 4.28Å; L274-M358 HydrophobicContact CD2-CE 3.82Å; L274-M358 HydrophobicContact CD2-SD 3.95Å; L274-F385 HydrophobicContact CD1-CE1 4.24Å; L274-F385 HydrophobicContact CD2-CD1 4.35Å; L274-F385 HydrophobicContact CD2-CE1 3.97Å; L274-F385 HydrophobicContact CD2-CZ 4.49Å; L274-F385 HydrophobicContact CG-CE1 4.01Å
275S94.7Very high96.2Very high4 Ų420.3 Ų20.33%0.02810%0.101CC..Hα-helixtrans-62.2-38176-88.20000112.6K161 E271 E273 D279 I280K161-S275 VanDerWaalsContact NZ-CB 3.31Å; K161-S275 PolarHBondContact NZ-OG 3Å; E271-S275 VanDerWaalsContact CD-OG 3.24Å; E271-S275 PolarHBondContact O-N 3.2Å; E271-S275 PolarHBondContact OE1-OG 3.48Å; E271-S275 PolarHBondContact OE2-OG 3.31Å; E273-S275 VanDerWaalsContact C-N 3.33Å; E273-S275 PolarHBondContact O-N 3.04Å; S275-D279 VanDerWaalsContact O-CA 3.31Å; S275-D279 WeakPolarHBondContact O-CA 3.28Å; S275-D279 PolarHBondContact O-N 3.33Å; S275-I280 PolarHBondContact OG-O 3.12Å
276A93.5Very high96.3Very high15 Ų1517.5 Ų17.512%0.1249%0.09CC..Hα-helixtrans-72-36.4-17800000112.8H159 K161 H272 E273 L274H159-A276 WeakPolarHBondContact O-CB 3.3Å; K161-A276 HydrophobicContact CB-CB 4.11Å; H272-A276 WeakPolarHBondContact O-CB 3.42Å; H272-A276 PolarHBondContact O-N 3.31Å; E273-A276 PolarHBondContact O-N 2.86Å; E273-A276 VanDerWaalsContact O-N 3.12Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 3Å
277F92.7Very high96.4Very high43 Ų4317.4 Ų17.419%0.1899%0.089CC..Hα-helixtrans-86.9-34.3180-80.7-92.9000113.5E273 K354 E357 M358 Q361E273-F277 WeakPolarHBondContact O-CD2 3.49Å; E273-F277 PolarHBondContact O-N 3.25Å; F277-K354 HydrophobicContact CD1-CB 4.32Å; F277-K354 HydrophobicContact CD1-CD 4.44Å; F277-K354 HydrophobicContact CD1-CG 4.08Å; F277-K354 HydrophobicContact CE1-CD 4.32Å; F277-K354 HydrophobicContact CE1-CG 4.4Å; F277-E357 HydrophobicContact CZ-CB 4.26Å; F277-M358 HydrophobicContact CB-SD 4.22Å; F277-M358 HydrophobicContact CD2-CG 3.54Å; F277-M358 HydrophobicContact CD2-SD 4.03Å; F277-M358 HydrophobicContact CE2-CG 3.72Å; F277-M358 HydrophobicContact CG-CG 4.16Å; F277-M358 HydrophobicContact CG-SD 4.28Å; F277-M358 HydrophobicContact CZ-CG 4.45Å; F277-Q361 VanDerWaalsContact CZ-NE2 3.35Å
278Y92.2Very high96.4Very high71 Ų7117.4 Ų17.428%0.2789%0.089SC..Hα-helixtrans-123.5-1-168.4-58.9-81000115.1L274 I280 I350 K354 M358L274-Y278 WeakPolarHBondContact O-CB 3.17Å; L274-Y278 PolarHBondContact O-N 3.33Å; Y278-I280 PolarHBondContact O-N 3.07Å; Y278-I280 VanDerWaalsContact O-N 3.13Å; Y278-I350 HydrophobicContact CD1-CG1 3.97Å; Y278-I350 HydrophobicContact CD2-CD1 3.77Å; Y278-I350 HydrophobicContact CD2-CG1 3.84Å; Y278-I350 HydrophobicContact CD2-CG2 3.98Å; Y278-I350 HydrophobicContact CE1-CG1 4.47Å; Y278-I350 HydrophobicContact CE2-CG1 4.35Å; Y278-I350 HydrophobicContact CE2-CG2 3.7Å; Y278-I350 HydrophobicContact CG-CD1 3.82Å; Y278-I350 HydrophobicContact CG-CG1 3.62Å; Y278-K354 HydrophobicContact CE2-CB 4.39Å; Y278-K354 WeakPolarHBondContact OH-CB 3.49Å; Y278-K354 WeakPolarHBondContact OH-CG 3.17Å; Y278-M358 HydrophobicContact CD2-SD 4.36Å; Y278-M358 HydrophobicContact CE2-CE 4.07Å; Y278-M358 HydrophobicContact CE2-SD 3.9Å
279D87.5Confident96.4Very high88 Ų8817 Ų1747%0.4719%0.087SC..  trans53.630.7-179.8-15327.5000113.6N71 S275N71-D279 PolarHBondContact ND2-OD1 3.34Å; S275-D279 VanDerWaalsContact O-CA 3.31Å; S275-D279 WeakPolarHBondContact O-CA 3.28Å; S275-D279 PolarHBondContact O-N 3.33Å
280I94.9Very high96.5Very high13 Ų1316 Ų167%0.0678%0.081CC..  trans-62.1154.8175.7-171.9172.3000111.1L274 S275 Y278 H282 V284 V348 I350L274-I280 HydrophobicContact CB-CG2 3.99Å; S275-I280 PolarHBondContact OG-O 3.12Å; Y278-I280 PolarHBondContact O-N 3.07Å; Y278-I280 VanDerWaalsContact O-N 3.13Å; I280-H282 PolarHBondContact O-N 3.05Å; I280-V284 HydrophobicContact CD1-CG1 4.28Å; I280-V348 HydrophobicContact CD1-CB 3.9Å; I280-V348 HydrophobicContact CD1-CG1 4.22Å; I280-V348 HydrophobicContact CD1-CG2 3.54Å; I280-I350 HydrophobicContact CB-CD1 4.37Å; I280-I350 HydrophobicContact CD1-CD1 4.09Å; I280-I350 HydrophobicContact CG2-CD1 4.46Å
281T95.9Very high96.5Very high37 Ų3716 Ų1623%0.2278%0.081CC..  trans-68.1119.2169.5-64.10000110.3Y187 A191 G283 V284 G285Y187-T281 HydrophobicContact CE1-CG2 4.11Å; Y187-T281 WeakPolarHBondContact CE1-OG1 3.32Å; A191-T281 HydrophobicContact CB-CG2 3.66Å; T281-G283 PolarHBondContact O-N 2.89Å; T281-V284 HydrophobicContact CG2-CG2 4.25Å; T281-V284 WeakPolarHBondContact O-CA 3.36Å; T281-V284 WeakPolarHBondContact O-CB 3.47Å; T281-V284 PolarHBondContact O-N 3.4Å; T281-G285 PolarHBondContact O-N 3.43Å
282H97Very high96.5Very high32 Ų3216.3 Ų16.315%0.1488%0.082CC..Hα-helixtrans-42.8-57.4-173.5-172.554.1000114.7D195 H268 E271 H272 I280 V284 G285 L286D195-H282 IonicContact OD1-CD2 3.54Å; D195-H282 IonicContact OD1-NE2 3.92Å; D195-H282 IonicContact OD2-CD2 2.79Å; H268-H282 AromaticContact CD2-CE1 3.93Å; H268-H282 AromaticContact CD2-NE2 3.56Å; H268-H282 AromaticContact NE2-NE2 3.92Å; E271-H282 WeakPolarHBondContact OE1-CA 3.04Å; E271-H282 IonicContact OE1-ND1 3.06Å; E271-H282 IonicContact OE2-CE1 2.66Å; E271-H282 PolarHBondContact OE2-CE1 3.03Å; E271-H282 IonicContact OE2-CG 2.76Å; E271-H282 IonicContact OE2-ND1 3.95Å; E271-H282 PolarHBondContact OE2-ND1 3.41Å; H272-H282 AromaticContact CD2-CE1 3.78Å; H272-H282 AromaticContact NE2-CE1 3.91Å; I280-H282 PolarHBondContact O-N 3.05Å; H282-V284 PolarHBondContact O-N 3.49Å; H282-G285 PolarHBondContact O-N 3.21Å; H282-G285 VanDerWaalsContact O-N 3.12Å; H282-L286 PolarHBondContact O-N 3.04Å
283G98.4Very high96.6Very high3 Ų315.1 Ų15.13%0.0318%0.077CC..Hα-helixtrans-63.5-24.9-178.100000114.6A191 A194 T281 A287A191-G283 WeakPolarHBondContact O-CA 3.41Å; A194-G283 VanDerWaalsContact CB-O 3.32Å; A194-G283 WeakPolarHBondContact CB-O 3.25Å; T281-G283 PolarHBondContact O-N 2.89Å; G283-A287 WeakPolarHBondContact O-CB 3.39Å; G283-A287 PolarHBondContact O-N 3.23Å
284V98.6Very high96.7Very high1 Ų115 Ų151%0.0068%0.076CC..Hα-helixtrans-73.6-45173.7175.30000110.6Y187 A191 I280 T281 H282 L286 A287 I288 I341 V348Y187-V284 HydrophobicContact CE1-CG2 4.39Å; Y187-V284 HydrophobicContact CE2-CG2 3.91Å; Y187-V284 WeakPolarHBondContact OH-CG2 3.49Å; A191-V284 HydrophobicContact CB-CG2 3.8Å; I280-V284 HydrophobicContact CD1-CG1 4.28Å; T281-V284 HydrophobicContact CG2-CG2 4.25Å; T281-V284 WeakPolarHBondContact O-CA 3.36Å; T281-V284 WeakPolarHBondContact O-CB 3.47Å; T281-V284 PolarHBondContact O-N 3.4Å; H282-V284 PolarHBondContact O-N 3.49Å; V284-L286 VanDerWaalsContact C-N 3.29Å; V284-L286 PolarHBondContact O-N 2.86Å; V284-A287 PolarHBondContact O-N 2.69Å; V284-I288 HydrophobicContact CG1-CD1 3.99Å; V284-I288 WeakPolarHBondContact O-CG1 3.37Å; V284-I288 PolarHBondContact O-N 2.74Å; V284-I341 HydrophobicContact CB-CG2 4.34Å; V284-I341 HydrophobicContact CG1-CG2 3.91Å; V284-I341 HydrophobicContact CG2-CG2 4.22Å; V284-V348 HydrophobicContact CG1-CG1 4.08Å
285G98.6Very high96.8Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-56.9-45.2173.800000111.6T281 H282 A287 I288 L289T281-G285 PolarHBondContact O-N 3.43Å; H282-G285 PolarHBondContact O-N 3.21Å; H282-G285 VanDerWaalsContact O-N 3.12Å; G285-A287 PolarHBondContact O-N 2.92Å; G285-I288 PolarHBondContact O-N 3.38Å; G285-L289 VanDerWaalsContact O-CG 3.28Å; G285-L289 WeakPolarHBondContact O-CG 3.3Å; G285-L289 PolarHBondContact O-N 2.9Å
286L98.9Very high97Very high0 Ų021.3 Ų21.30%010%0.102CC..Hα-helixtrans-61.3-43.5175.6-72.9171.8000113D195 S198 C267 E271 H282 V284 I288 L289 T290D195-L286 HydrophobicContact CB-CD1 4.48Å; D195-L286 WeakPolarHBondContact OD1-CD1 3.42Å; S198-L286 WeakPolarHBondContact OG-CB 3.34Å; C267-L286 HydrophobicContact CB-CD2 4.01Å; E271-L286 HydrophobicContact CB-CD2 3.86Å; E271-L286 HydrophobicContact CB-CG 4.2Å; E271-L286 HydrophobicContact CG-CD2 4.25Å; E271-L286 HydrophobicContact CG-CG 4.03Å; H282-L286 PolarHBondContact O-N 3.04Å; V284-L286 VanDerWaalsContact C-N 3.29Å; V284-L286 PolarHBondContact O-N 2.86Å; L286-I288 VanDerWaalsContact C-N 3.32Å; L286-I288 PolarHBondContact O-N 2.87Å; L286-L289 PolarHBondContact O-N 3.36Å; L286-T290 WeakPolarHBondContact O-CB 3.26Å; L286-T290 PolarHBondContact O-N 3.44Å; L286-T290 PolarHBondContact O-OG1 2.76Å
287A98.9Very high97.2Very high0 Ų020.6 Ų20.60%010%0.096CC..Hα-helixtrans-63.4-38.1178.900000112.4A194 G283 V284 G285 P291 F336 I341A194-A287 HydrophobicContact CB-CB 3.74Å; G283-A287 WeakPolarHBondContact O-CB 3.39Å; G283-A287 PolarHBondContact O-N 3.23Å; V284-A287 PolarHBondContact O-N 2.69Å; G285-A287 PolarHBondContact O-N 2.92Å; A287-P291 WeakPolarHBondContact O-CD 3.37Å; A287-F336 HydrophobicContact CB-CB 4.25Å; A287-F336 HydrophobicContact CB-CD1 4.24Å; A287-F336 HydrophobicContact CB-CD2 3.74Å; A287-F336 HydrophobicContact CB-CE2 4.05Å; A287-F336 HydrophobicContact CB-CG 3.84Å; A287-F336 HydrophobicContact CB-CZ 4.44Å; A287-I341 HydrophobicContact CB-CD1 3.89Å; A287-I341 HydrophobicContact CB-CG2 3.82Å
288I98.9Very high97.5Very high0 Ų019.4 Ų19.40%09%0.092CC..Hα-helixtrans-65.3-46.5176.5-67.7166.1000110.4V284 G285 L286 R292 P342 L345 V348 C388V284-I288 HydrophobicContact CG1-CD1 3.99Å; V284-I288 WeakPolarHBondContact O-CG1 3.37Å; V284-I288 PolarHBondContact O-N 2.74Å; G285-I288 PolarHBondContact O-N 3.38Å; L286-I288 VanDerWaalsContact C-N 3.32Å; L286-I288 PolarHBondContact O-N 2.87Å; I288-R292 WeakPolarHBondContact O-CD 3.29Å; I288-R292 PolarHBondContact O-NH1 2.82Å; I288-P342 WeakPolarHBondContact CG1-O 3.46Å; I288-L345 HydrophobicContact CD1-CD2 4.41Å; I288-L345 HydrophobicContact CG2-CD2 4.19Å; I288-L345 HydrophobicContact CG2-CG 4.17Å; I288-V348 HydrophobicContact CD1-CG1 4.45Å; I288-V348 HydrophobicContact CD1-CG2 4.02Å; I288-C388 HydrophobicContact CG2-CB 3.72Å
289L98.9Very high97.8Very high0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-70.8-44.3-175.4-71.1168.1000113.1M270 E271 L274 G285 L286 R292 W293 I384 F385M270-L289 HydrophobicContact CB-CD1 4.11Å; E271-L289 HydrophobicContact CB-CD1 3.79Å; E271-L289 HydrophobicContact CG-CD1 4.28Å; L274-L289 HydrophobicContact CD1-CD1 3.79Å; L274-L289 HydrophobicContact CD1-CD2 4.37Å; L274-L289 HydrophobicContact CD1-CG 4.15Å; G285-L289 VanDerWaalsContact O-CG 3.28Å; G285-L289 WeakPolarHBondContact O-CG 3.3Å; G285-L289 PolarHBondContact O-N 2.9Å; L286-L289 PolarHBondContact O-N 3.36Å; L289-R292 PolarHBondContact O-N 2.76Å; L289-R292 VanDerWaalsContact O-N 3.1Å; L289-W293 PolarHBondContact O-N 3.29Å; L289-I384 HydrophobicContact CD2-CG2 4.15Å; L289-F385 HydrophobicContact CD2-CD1 3.7Å; L289-F385 HydrophobicContact CD2-CE1 3.73Å
290T98.9Very high98.3Very high0 Ų021.3 Ų21.30%011%0.107CC..Hα-helixtrans-57.3-49.6-162.8-60.50000113.4I201 L286 R292 W293 M294 L332I201-T290 HydrophobicContact CD1-CG2 4.01Å; I201-T290 HydrophobicContact CG2-CG2 4.05Å; L286-T290 WeakPolarHBondContact O-CB 3.26Å; L286-T290 PolarHBondContact O-N 3.44Å; L286-T290 PolarHBondContact O-OG1 2.76Å; T290-R292 VanDerWaalsContact C-N 3.31Å; T290-R292 PolarHBondContact O-N 3.34Å; T290-W293 PolarHBondContact O-N 2.98Å; T290-M294 HydrophobicContact CG2-CE 3.95Å; T290-M294 HydrophobicContact CG2-CG 4.38Å; T290-M294 VanDerWaalsContact O-CG 3.28Å; T290-M294 WeakPolarHBondContact O-CG 3.41Å; T290-M294 PolarHBondContact O-N 3.22Å; T290-L332 HydrophobicContact CG2-CD2 3.86Å
291P98.9Very high98.4Very high0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-62.6-34179.6-24.235.8000114A287 M294 E295 I329 L332 Y333 F336 M343 F394A287-P291 WeakPolarHBondContact O-CD 3.37Å; P291-M294 WeakPolarHBondContact O-CB 3.17Å; P291-M294 PolarHBondContact O-N 2.93Å; P291-E295 PolarHBondContact O-N 3.18Å; P291-I329 HydrophobicContact CB-CG2 4.14Å; P291-I329 WeakPolarHBondContact O-CG2 3.41Å; P291-L332 HydrophobicContact CG-CD2 4.45Å; P291-Y333 HydrophobicContact CB-CD2 4.03Å; P291-Y333 HydrophobicContact CG-CD2 4.1Å; P291-F336 HydrophobicContact CG-CD2 4.47Å; P291-M343 HydrophobicContact CG-CE 4.34Å; P291-F394 HydrophobicContact CB-CE2 3.84Å; P291-F394 HydrophobicContact CB-CZ 3.68Å; P291-F394 WeakPolarHBondContact O-CE1 3.34Å
292R98.8Very high98.5Very high7 Ų726.1 Ų26.13%0.02613%0.127CC..Hα-helixtrans-76.3-36.4178-72.1132.3-178.4131.4-8.4112.3I288 L289 T290 M294 E295 Y296 M343 I384 A387 C388 T390 S392 F394I288-R292 WeakPolarHBondContact O-CD 3.29Å; I288-R292 PolarHBondContact O-NH1 2.82Å; L289-R292 PolarHBondContact O-N 2.76Å; L289-R292 VanDerWaalsContact O-N 3.1Å; T290-R292 VanDerWaalsContact C-N 3.31Å; T290-R292 PolarHBondContact O-N 3.34Å; R292-M294 VanDerWaalsContact C-N 3.29Å; R292-E295 PolarHBondContact O-N 2.88Å; R292-Y296 PolarHBondContact O-N 3.31Å; R292-M343 PolarHBondContact NH1-O 2.97Å; R292-M343 PolarHBondContact NH2-O 3.44Å; R292-I384 HydrophobicContact CB-CG2 4.37Å; R292-A387 HydrophobicContact CB-CB 4.27Å; R292-A387 HydrophobicContact CG-CB 4.03Å; R292-A387 PolarHBondContact NE-O 3.22Å; R292-A387 VanDerWaalsContact NE-O 3.11Å; R292-C388 WeakPolarHBondContact CD-SG 3.31Å; R292-T390 PolarHBondContact NH2-O 3.31Å; R292-S392 PolarHBondContact NE-OG 3.47Å; R292-S392 PolarHBondContact NH2-OG 3.26Å; R292-F394 HydrophobicContact CG-CZ 4.27Å
293W98.8Very high98.6Very high1 Ų125.3 Ų25.30%0.00412%0.124CC..Hα-helixtrans-60.7-41.2167.5167.375.4000111.4I201 F205 S266 M270 L289 T290 Y296 A297 F373 I384I201-W293 HydrophobicContact CG2-CZ3 4Å; F205-W293 HydrophobicContact CB-CH2 3.76Å; F205-W293 HydrophobicContact CD2-CH2 4.33Å; F205-W293 HydrophobicContact CD2-CZ3 4.39Å; F205-W293 HydrophobicContact CG-CH2 4.06Å; S266-W293 PolarHBondContact OG-NE1 3.28Å; M270-W293 HydrophobicContact CE-CB 4.31Å; M270-W293 HydrophobicContact CE-CG 4.43Å; L289-W293 PolarHBondContact O-N 3.29Å; T290-W293 PolarHBondContact O-N 2.98Å; W293-Y296 PolarHBondContact O-N 3.28Å; W293-A297 HydrophobicContact CZ2-CB 4.35Å; W293-A297 VanDerWaalsContact O-CB 3.25Å; W293-A297 WeakPolarHBondContact O-CB 3.34Å; W293-A297 PolarHBondContact O-N 2.94Å; W293-F373 HydrophobicContact CH2-CD1 4.46Å; W293-F373 HydrophobicContact CZ2-CB 4.29Å; W293-F373 HydrophobicContact CZ2-CD1 4.26Å; W293-I384 HydrophobicContact CB-CD1 4.34Å
294M98.9Very high98.5Very high0 Ų030.4 Ų30.40%015%0.151CC..Hα-helixtrans-61.3-44.3176.8-70.7-171.5167.200112.1I201 F205 T290 P291 R292 A297 L298 F306 F309 I329 L332I201-M294 HydrophobicContact CB-CE 4.37Å; I201-M294 HydrophobicContact CD1-CE 3.8Å; I201-M294 HydrophobicContact CG1-CE 4.02Å; I201-M294 HydrophobicContact CG2-CE 3.41Å; I201-M294 VanDerWaalsContact CG2-CE 3.41Å; F205-M294 HydrophobicContact CD2-CE 4.38Å; F205-M294 HydrophobicContact CE2-CE 3.67Å; F205-M294 HydrophobicContact CZ-CE 4.27Å; T290-M294 HydrophobicContact CG2-CE 3.95Å; T290-M294 HydrophobicContact CG2-CG 4.38Å; T290-M294 VanDerWaalsContact O-CG 3.28Å; T290-M294 WeakPolarHBondContact O-CG 3.41Å; T290-M294 PolarHBondContact O-N 3.22Å; P291-M294 WeakPolarHBondContact O-CB 3.17Å; P291-M294 PolarHBondContact O-N 2.93Å; R292-M294 VanDerWaalsContact C-N 3.29Å; M294-A297 PolarHBondContact O-N 3.04Å; M294-L298 WeakPolarHBondContact O-CB 3.25Å; M294-L298 PolarHBondContact O-N 2.84Å; M294-F306 HydrophobicContact CB-CE1 3.64Å; M294-F306 HydrophobicContact CB-CZ 4.2Å; M294-F306 HydrophobicContact CG-CE1 3.72Å; M294-F306 HydrophobicContact CG-CZ 4.44Å; M294-F306 WeakPolarHBondContact O-CZ 3.16Å; M294-F306 HydrophobicContact SD-CE1 4.21Å; M294-F309 HydrophobicContact CE-CE1 4.24Å; M294-F309 HydrophobicContact CE-CZ 4.15Å; M294-F309 HydrophobicContact SD-CE1 4.33Å; M294-I329 HydrophobicContact CB-CD1 3.81Å; M294-I329 HydrophobicContact CB-CG1 3.79Å; M294-I329 HydrophobicContact CB-CG2 4.11Å; M294-I329 HydrophobicContact SD-CG1 4.11Å; M294-L332 HydrophobicContact CE-CD2 3.58Å; M294-L332 HydrophobicContact SD-CD2 3.64Å
295E98.6Very high98.5Very high57 Ų5732.2 Ų32.227%0.26616%0.159SC..Hα-helixtrans-61.8-45.8175.4-179.463-166.200111.7P291 R292 A297 L298 R326 F394P291-E295 PolarHBondContact O-N 3.18Å; R292-E295 PolarHBondContact O-N 2.88Å; E295-A297 VanDerWaalsContact C-N 3.28Å; E295-A297 PolarHBondContact O-N 2.85Å; E295-L298 PolarHBondContact O-N 3.12Å; E295-R326 IonicContact OE1-CZ 3.29Å; E295-R326 VanDerWaalsContact OE1-CZ 3.29Å; E295-R326 IonicContact OE1-NH1 3.88Å; E295-R326 PolarHBondContact OE1-NH1 2.95Å; E295-R326 IonicContact OE1-NH2 3.7Å; E295-R326 PolarHBondContact OE1-NH2 3.01Å; E295-R326 IonicContact OE2-CZ 3.85Å; E295-R326 IonicContact OE2-NH1 3.78Å; E295-R326 PolarHBondContact OE2-NH1 2.81Å; E295-R326 VanDerWaalsContact OE2-NH1 3.17Å; E295-R326 IonicContact OE2-NH2 2.59Å; E295-F394 HydrophobicContact CB-CD1 3.69Å; E295-F394 HydrophobicContact CB-CE1 3.66Å; E295-F394 HydrophobicContact CG-CD1 3.99Å; E295-F394 HydrophobicContact CG-CE1 4.24Å
296Y98.6Very high98.5Very high79 Ų7932.2 Ų32.231%0.3116%0.159SC..Hα-helixtrans-60.4-40.2176.5-177.5-84.8000111.9R292 W293 L298 V374 L376 A380 I384R292-Y296 PolarHBondContact O-N 3.31Å; W293-Y296 PolarHBondContact O-N 3.28Å; Y296-L298 VanDerWaalsContact C-N 3.31Å; Y296-L298 PolarHBondContact O-N 3.24Å; Y296-V374 HydrophobicContact CE1-CG1 4.39Å; Y296-L376 HydrophobicContact CD1-CD2 3.63Å; Y296-L376 HydrophobicContact CE1-CD2 3.41Å; Y296-L376 VanDerWaalsContact CE1-CD2 3.41Å; Y296-A380 HydrophobicContact CE1-CB 3.96Å; Y296-A380 HydrophobicContact CE2-CB 4.06Å; Y296-A380 VanDerWaalsContact CZ-CB 3.47Å; Y296-A380 WeakPolarHBondContact OH-CB 3.3Å; Y296-I384 HydrophobicContact CD1-CD1 4.22Å; Y296-I384 HydrophobicContact CD2-CG1 4.34Å; Y296-I384 HydrophobicContact CG-CD1 4.08Å; Y296-I384 HydrophobicContact CG-CG1 4.1Å
297A98.5Very high98.5Very high0 Ų032.2 Ų32.20%016%0.159CC..Hα-helixtrans-78.8-11.1-178.800000113.7W293 M294 E295 N299 T302 F306 F373 V374W293-A297 HydrophobicContact CZ2-CB 4.35Å; W293-A297 VanDerWaalsContact O-CB 3.25Å; W293-A297 WeakPolarHBondContact O-CB 3.34Å; W293-A297 PolarHBondContact O-N 2.94Å; M294-A297 PolarHBondContact O-N 3.04Å; E295-A297 VanDerWaalsContact C-N 3.28Å; E295-A297 PolarHBondContact O-N 2.85Å; A297-N299 PolarHBondContact O-N 3Å; A297-N299 PolarHBondContact O-ND2 2.88Å; A297-T302 WeakPolarHBondContact O-CB 3.32Å; A297-T302 WeakPolarHBondContact O-CG2 3.48Å; A297-T302 PolarHBondContact O-OG1 3.03Å; A297-F306 HydrophobicContact CB-CE2 4.22Å; A297-F306 HydrophobicContact CB-CZ 3.97Å; A297-F373 HydrophobicContact CB-CD1 4.44Å; A297-V374 HydrophobicContact CB-CB 4.13Å; A297-V374 HydrophobicContact CB-CG2 3.81Å
298L98.7Very high98.5Very high18 Ų1833.9 Ų33.99%0.09417%0.17CC..  trans-81.4114.6-178.4177.260.1000111M294 E295 Y296 V303 F306 M322 A325 R326 I329M294-L298 WeakPolarHBondContact O-CB 3.25Å; M294-L298 PolarHBondContact O-N 2.84Å; E295-L298 PolarHBondContact O-N 3.12Å; Y296-L298 VanDerWaalsContact C-N 3.31Å; Y296-L298 PolarHBondContact O-N 3.24Å; L298-V303 HydrophobicContact CD1-CB 4.19Å; L298-V303 HydrophobicContact CD1-CG2 4.24Å; L298-F306 HydrophobicContact CB-CD2 4.28Å; L298-F306 HydrophobicContact CB-CE2 4.23Å; L298-F306 HydrophobicContact CD1-CB 4.04Å; L298-F306 HydrophobicContact CD1-CD2 3.68Å; L298-F306 HydrophobicContact CD1-CE2 4.43Å; L298-F306 HydrophobicContact CD1-CG 4.03Å; L298-M322 HydrophobicContact CD1-CE 4.44Å; L298-M322 HydrophobicContact CD1-SD 4.05Å; L298-M322 HydrophobicContact CD2-SD 3.83Å; L298-M322 HydrophobicContact CG-SD 3.89Å; L298-A325 HydrophobicContact CD1-CB 3.71Å; L298-A325 HydrophobicContact CD2-CB 3.97Å; L298-R326 HydrophobicContact CD2-CG 3.97Å; L298-I329 HydrophobicContact CB-CD1 4.46Å; L298-I329 HydrophobicContact CD2-CD1 3.93Å
299N98.2Very high98.5Very high53 Ų5334 Ų3428%0.28317%0.17SC..SBendtrans-151.9-179.7175.659.260.5000110.4A297 E301 T302 V303A297-N299 PolarHBondContact O-N 3Å; A297-N299 PolarHBondContact O-ND2 2.88Å; N299-E301 PolarHBondContact O-N 3.02Å; N299-E301 VanDerWaalsContact O-N 3.09Å; N299-E301 WeakPolarHBondContact OD1-CA 3.44Å; N299-E301 WeakPolarHBondContact OD1-CB 3.28Å; N299-E301 PolarHBondContact OD1-N 2.79Å; N299-T302 PolarHBondContact N-OG1 3.34Å; N299-T302 PolarHBondContact O-N 3.09Å; N299-T302 PolarHBondContact O-OG1 2.85Å; N299-T302 PolarHBondContact OD1-N 3.44Å; N299-T302 PolarHBondContact OD1-OG1 3.15Å; N299-V303 WeakPolarHBondContact O-CB 3.31Å; N299-V303 PolarHBondContact O-N 2.96Å
300D98.1Very high98.5Very high147 Ų14734 Ų3479%0.78617%0.17SC*.THydrogen-bonded Turntrans-57.9-24.5-177.5-68-17.5000113.8
301E97.2Very high98.5Very high147 Ų14737.7 Ų37.769%0.68718%0.184SC*.THydrogen-bonded Turntrans-87.9-21.8178.3-54.5-178.5170.400113.7R207 N299R207-E301 PolarHBondContact NH1-O 3.08Å; R207-E301 IonicContact NH1-OE2 2.87Å; R207-E301 IonicContact NH2-OE2 3.98Å; R207-E301 PolarHBondContact NH2-OE2 3.33Å; N299-E301 PolarHBondContact O-N 3.02Å; N299-E301 VanDerWaalsContact O-N 3.09Å; N299-E301 WeakPolarHBondContact OD1-CA 3.44Å; N299-E301 WeakPolarHBondContact OD1-CB 3.28Å; N299-E301 PolarHBondContact OD1-N 2.79Å
302T98.1Very high98.5Very high3 Ų340.7 Ų40.72%0.01820%0.201CC..THydrogen-bonded Turntrans-109.1-13.1-174.159.70000113.2A297 N299 D304 K305 F306 F373 V374A297-T302 WeakPolarHBondContact O-CB 3.32Å; A297-T302 WeakPolarHBondContact O-CG2 3.48Å; A297-T302 PolarHBondContact O-OG1 3.03Å; N299-T302 PolarHBondContact N-OG1 3.34Å; N299-T302 PolarHBondContact O-N 3.09Å; N299-T302 PolarHBondContact O-OG1 2.85Å; N299-T302 PolarHBondContact OD1-N 3.44Å; N299-T302 PolarHBondContact OD1-OG1 3.15Å; T302-D304 VanDerWaalsContact C-N 3.25Å; T302-D304 PolarHBondContact O-N 2.83Å; T302-D304 VanDerWaalsContact O-N 3.14Å; T302-K305 PolarHBondContact O-N 3.22Å; T302-K305 VanDerWaalsContact O-N 3.08Å; T302-F306 WeakPolarHBondContact O-CD2 3.44Å; T302-F306 PolarHBondContact O-N 3.41Å; T302-F373 HydrophobicContact CG2-CD1 4.43Å; T302-F373 HydrophobicContact CG2-CE1 3.63Å; T302-F373 HydrophobicContact CG2-CE2 4.44Å; T302-F373 HydrophobicContact CG2-CZ 3.63Å; T302-V374 HydrophobicContact CG2-CG2 3.72Å
303V98.6Very high98.5Very high15 Ų1540.6 Ų40.69%0.09120%0.201CC..Hα-helixtrans-52.2-38.9-173.264.80000113.4L298 N299 K305 F306 A307 P321 M322 A325L298-V303 HydrophobicContact CD1-CB 4.19Å; L298-V303 HydrophobicContact CD1-CG2 4.24Å; N299-V303 WeakPolarHBondContact O-CB 3.31Å; N299-V303 PolarHBondContact O-N 2.96Å; V303-K305 VanDerWaalsContact C-N 3.31Å; V303-K305 PolarHBondContact O-N 3.07Å; V303-F306 PolarHBondContact O-N 2.67Å; V303-A307 WeakPolarHBondContact O-CB 3.38Å; V303-A307 PolarHBondContact O-N 2.66Å; V303-P321 VanDerWaalsContact CG2-C 3.48Å; V303-P321 HydrophobicContact CG2-CB 3.75Å; V303-M322 HydrophobicContact CB-CE 4.26Å; V303-M322 HydrophobicContact CG2-CB 4.15Å; V303-M322 HydrophobicContact CG2-CE 4.04Å; V303-M322 HydrophobicContact CG2-SD 4.36Å; V303-A325 HydrophobicContact CG2-CB 4.36Å
304D97.7Very high98.5Very high111 Ų11142.3 Ų42.359%0.59421%0.207SC*.Hα-helixtrans-63.8-35.6-177.3-70.7-19.3000112.7T302 S308T302-D304 VanDerWaalsContact C-N 3.25Å; T302-D304 PolarHBondContact O-N 2.83Å; T302-D304 VanDerWaalsContact O-N 3.14Å; D304-S308 WeakPolarHBondContact O-CB 3.32Å; D304-S308 PolarHBondContact O-N 3.49Å; D304-S308 PolarHBondContact O-OG 3.29Å
305K98.1Very high98.5Very high39 Ų3948.2 Ų48.217%0.1724%0.239CC..Hα-helixtrans-72.8-38.3177.7-162.769.6174.5-173.60111.2Y204 F205 D215 T302 V303 S308 F309 F373Y204-K305 HydrophobicContact CD1-CG 4.44Å; Y204-K305 HydrophobicContact CE1-CD 4.1Å; Y204-K305 HydrophobicContact CE1-CG 4.06Å; Y204-K305 WeakPolarHBondContact O-CE 3.44Å; F205-K305 HydrophobicContact CD1-CB 4.31Å; F205-K305 HydrophobicContact CD1-CG 3.77Å; F205-K305 HydrophobicContact CE1-CB 4.26Å; F205-K305 HydrophobicContact CE1-CG 3.94Å; D215-K305 IonicContact OD1-NZ 3.56Å; D215-K305 PolarHBondContact OD1-NZ 3.45Å; D215-K305 IonicContact OD2-NZ 3.92Å; D215-K305 PolarHBondContact OD2-NZ 3.09Å; T302-K305 PolarHBondContact O-N 3.22Å; T302-K305 VanDerWaalsContact O-N 3.08Å; V303-K305 VanDerWaalsContact C-N 3.31Å; V303-K305 PolarHBondContact O-N 3.07Å; K305-S308 PolarHBondContact O-N 2.92Å; K305-F309 PolarHBondContact O-N 2.86Å; K305-F373 HydrophobicContact CB-CZ 4.15Å; K305-F373 HydrophobicContact CG-CZ 4.45Å
306F98.8Very high98.5Very high0 Ų046.2 Ų46.20%023%0.23CC..Hα-helixtrans-69-38.9174.6-76.4-73.1000112.6F205 M294 A297 L298 T302 V303 S308 F309 A310 A325 I329 F373F205-F306 HydrophobicContact CD1-CD1 4.37Å; F205-F306 HydrophobicContact CD1-CE1 4.03Å; F205-F306 HydrophobicContact CD1-CE2 4.4Å; F205-F306 HydrophobicContact CD1-CZ 4.06Å; F205-F306 HydrophobicContact CE1-CB 4.43Å; F205-F306 AromaticContact CE1-CD1 3.33Å; F205-F306 HydrophobicContact CE1-CD1 3.33Å; F205-F306 HydrophobicContact CE1-CD2 4.08Å; F205-F306 AromaticContact CE1-CE1 3.36Å; F205-F306 HydrophobicContact CE1-CE1 3.36Å; F205-F306 HydrophobicContact CE1-CE2 4.14Å; F205-F306 AromaticContact CE1-CG 3.69Å; F205-F306 HydrophobicContact CE1-CG 3.69Å; F205-F306 AromaticContact CE1-CZ 3.79Å; F205-F306 HydrophobicContact CE1-CZ 3.79Å; F205-F306 HydrophobicContact CE2-CE1 4.38Å; F205-F306 AromaticContact CZ-CD1 3.48Å; F205-F306 HydrophobicContact CZ-CD1 3.48Å; F205-F306 VanDerWaalsContact CZ-CD1 3.48Å; F205-F306 AromaticContact CZ-CE1 3.57Å; F205-F306 HydrophobicContact CZ-CE1 3.57Å; F205-F306 HydrophobicContact CZ-CG 4.23Å; F205-F306 HydrophobicContact CZ-CZ 4.4Å; M294-F306 HydrophobicContact CB-CE1 3.64Å; M294-F306 HydrophobicContact CB-CZ 4.2Å; M294-F306 HydrophobicContact CG-CE1 3.72Å; M294-F306 HydrophobicContact CG-CZ 4.44Å; M294-F306 WeakPolarHBondContact O-CZ 3.16Å; M294-F306 HydrophobicContact SD-CE1 4.21Å; A297-F306 HydrophobicContact CB-CE2 4.22Å; A297-F306 HydrophobicContact CB-CZ 3.97Å; L298-F306 HydrophobicContact CB-CD2 4.28Å; L298-F306 HydrophobicContact CB-CE2 4.23Å; L298-F306 HydrophobicContact CD1-CB 4.04Å; L298-F306 HydrophobicContact CD1-CD2 3.68Å; L298-F306 HydrophobicContact CD1-CE2 4.43Å; L298-F306 HydrophobicContact CD1-CG 4.03Å; T302-F306 WeakPolarHBondContact O-CD2 3.44Å; T302-F306 PolarHBondContact O-N 3.41Å; V303-F306 PolarHBondContact O-N 2.67Å; F306-S308 VanDerWaalsContact C-N 3.34Å; F306-F309 WeakPolarHBondContact O-CB 3.33Å; F306-F309 PolarHBondContact O-N 3.39Å; F306-A310 PolarHBondContact O-N 3.29Å; F306-A325 HydrophobicContact CB-CB 3.47Å; F306-A325 VanDerWaalsContact CB-CB 3.47Å; F306-I329 HydrophobicContact CD1-CD1 4.4Å; F306-I329 HydrophobicContact CD1-CG1 4.43Å; F306-F373 AromaticContact CE2-CE1 3.8Å; F306-F373 HydrophobicContact CE2-CE1 3.8Å; F306-F373 HydrophobicContact CZ-CE1 4.22Å
307A98.8Very high98.5Very high0 Ų050.4 Ų50.40%025%0.253CS..Hα-helixtrans-62.8-42.917300000110.9V303 F309 A310 W311 P321 A324V303-A307 WeakPolarHBondContact O-CB 3.38Å; V303-A307 PolarHBondContact O-N 2.66Å; A307-F309 PolarHBondContact O-N 3.01Å; A307-A310 WeakPolarHBondContact O-CB 3.39Å; A307-A310 PolarHBondContact O-N 2.96Å; A307-A310 VanDerWaalsContact O-N 3.15Å; A307-W311 HydrophobicContact CB-CD2 4.41Å; A307-W311 HydrophobicContact CB-CE3 4.3Å; A307-W311 HydrophobicContact CB-CH2 3.73Å; A307-W311 HydrophobicContact CB-CZ2 3.84Å; A307-W311 HydrophobicContact CB-CZ3 3.96Å; A307-W311 VanDerWaalsContact O-CD2 3.23Å; A307-W311 PolarHBondContact O-N 2.97Å; A307-P321 HydrophobicContact CB-CB 3.99Å; A307-A324 HydrophobicContact CB-CB 4.35Å
308S98.6Very high98.4Very high35 Ų3553.9 Ų53.925%0.24527%0.269CS..Hα-helixtrans-60.2-43.9174-60.20000112.2Y204 D304 K305 F306 A310 W311 N312Y204-S308 WeakPolarHBondContact OH-CB 3.42Å; D304-S308 WeakPolarHBondContact O-CB 3.32Å; D304-S308 PolarHBondContact O-N 3.49Å; D304-S308 PolarHBondContact O-OG 3.29Å; K305-S308 PolarHBondContact O-N 2.92Å; F306-S308 VanDerWaalsContact C-N 3.34Å; S308-A310 VanDerWaalsContact C-N 3.34Å; S308-A310 PolarHBondContact O-N 2.98Å; S308-W311 PolarHBondContact O-N 3.39Å; S308-N312 VanDerWaalsContact O-CB 3.23Å; S308-N312 WeakPolarHBondContact O-CB 3.17Å; S308-N312 VanDerWaalsContact O-CG 3.28Å; S308-N312 PolarHBondContact O-N 2.84Å; S308-N312 PolarHBondContact O-ND2 3.5Å
309F98.8Very high98.4Very high1 Ų160.4 Ų60.40%0.00430%0.297CS..Hα-helixtrans-56.5-47.1172.2170-105.1000111.6I201 Y204 F205 M222 M294 K305 F306 A307 V313 W314 L332I201-F309 HydrophobicContact CG1-CE2 4.36Å; Y204-F309 HydrophobicContact CE1-CB 3.9Å; F205-F309 HydrophobicContact CE2-CB 4.37Å; F205-F309 HydrophobicContact CE2-CD2 4.22Å; F205-F309 HydrophobicContact CE2-CG 4.23Å; F205-F309 HydrophobicContact CZ-CB 3.72Å; F205-F309 HydrophobicContact CZ-CD1 4.34Å; F205-F309 HydrophobicContact CZ-CD2 4.36Å; F205-F309 AromaticContact CZ-CG 3.91Å; F205-F309 HydrophobicContact CZ-CG 3.91Å; M222-F309 HydrophobicContact CE-CD2 4.45Å; M222-F309 HydrophobicContact SD-CD2 4.19Å; M222-F309 HydrophobicContact SD-CE2 3.75Å; M294-F309 HydrophobicContact CE-CE1 4.24Å; M294-F309 HydrophobicContact CE-CZ 4.15Å; M294-F309 HydrophobicContact SD-CE1 4.33Å; K305-F309 PolarHBondContact O-N 2.86Å; F306-F309 WeakPolarHBondContact O-CB 3.33Å; F306-F309 PolarHBondContact O-N 3.39Å; A307-F309 PolarHBondContact O-N 3.01Å; F309-V313 HydrophobicContact CD2-CB 4.07Å; F309-V313 HydrophobicContact CD2-CG2 3.64Å; F309-V313 HydrophobicContact CE2-CB 4.12Å; F309-V313 HydrophobicContact CE2-CG1 4.15Å; F309-V313 HydrophobicContact CE2-CG2 3.99Å; F309-V313 HydrophobicContact CG-CG2 4.5Å; F309-V313 WeakPolarHBondContact O-CA 3.44Å; F309-V313 WeakPolarHBondContact O-CB 3.4Å; F309-V313 WeakPolarHBondContact O-CG2 3.42Å; F309-V313 PolarHBondContact O-N 2.88Å; F309-W314 AromaticContact CE1-CD1 3.72Å; F309-W314 AromaticContact CE1-NE1 3.28Å; F309-W314 VanDerWaalsContact CE1-NE1 3.28Å; F309-W314 AromaticContact CE2-NE1 3.95Å; F309-W314 AromaticContact CZ-CD1 3.93Å; F309-W314 AromaticContact CZ-NE1 3.16Å; F309-L332 HydrophobicContact CZ-CB 4.44Å; F309-L332 HydrophobicContact CZ-CD2 4.39Å
310A98.9Very high98.4Very high0 Ų061.4 Ų61.40%031%0.305CS..Hα-helixtrans-62.4-47.6178.500000112.8F306 A307 S308 W314 N315 V316 A324F306-A310 PolarHBondContact O-N 3.29Å; A307-A310 WeakPolarHBondContact O-CB 3.39Å; A307-A310 PolarHBondContact O-N 2.96Å; A307-A310 VanDerWaalsContact O-N 3.15Å; S308-A310 VanDerWaalsContact C-N 3.34Å; S308-A310 PolarHBondContact O-N 2.98Å; A310-W314 CarbonylContact O-C 3.52Å; A310-W314 WeakPolarHBondContact O-CA 3.33Å; A310-W314 VanDerWaalsContact O-CB 3.3Å; A310-W314 WeakPolarHBondContact O-CB 3.39Å; A310-W314 PolarHBondContact O-N 3.12Å; A310-N315 PolarHBondContact O-N 2.71Å; A310-V316 HydrophobicContact CB-CB 4.08Å; A310-V316 HydrophobicContact CB-CG2 4.01Å; A310-V316 WeakPolarHBondContact O-CB 3.49Å; A310-V316 WeakPolarHBondContact O-CG2 3.11Å; A310-V316 PolarHBondContact O-N 2.85Å; A310-V316 VanDerWaalsContact O-N 3.11Å; A310-A324 HydrophobicContact CB-CB 4.38Å; A310-A324 WeakPolarHBondContact CB-O 3.48Å
311W98.8Very high98.4Very high78 Ų7856.7 Ų56.730%0.29528%0.282SS..Hα-helixtrans-67-48.4-179.9-61.1-29.5000111.9A307 S308 N315 E318 A324A307-W311 HydrophobicContact CB-CD2 4.41Å; A307-W311 HydrophobicContact CB-CE3 4.3Å; A307-W311 HydrophobicContact CB-CH2 3.73Å; A307-W311 HydrophobicContact CB-CZ2 3.84Å; A307-W311 HydrophobicContact CB-CZ3 3.96Å; A307-W311 VanDerWaalsContact O-CD2 3.23Å; A307-W311 PolarHBondContact O-N 2.97Å; S308-W311 PolarHBondContact O-N 3.39Å; W311-N315 WeakPolarHBondContact O-CA 3.46Å; W311-N315 PolarHBondContact O-N 3.29Å; W311-N315 VanDerWaalsContact O-N 3.11Å; W311-E318 PolarHBondContact NE1-O 3.28Å; W311-A324 HydrophobicContact CZ2-CB 4.26Å
312N98.8Very high98.5Very high64 Ų6452.2 Ų52.234%0.34226%0.262SS..Hα-helixtrans-85.7-35.9-168.6-60.7-20.8000112.5E219 R223 S308E219-N312 HydrophobicContact CG-CB 4.11Å; E219-N312 WeakPolarHBondContact OE1-CB 3.44Å; E219-N312 PolarHBondContact OE1-ND2 3.46Å; E219-N312 VanDerWaalsContact OE2-CB 3.3Å; E219-N312 WeakPolarHBondContact OE2-CB 3.27Å; E219-N312 PolarHBondContact OE2-ND2 3.49Å; R223-N312 WeakPolarHBondContact CD-O 3.32Å; R223-N312 PolarHBondContact NH1-O 2.99Å; S308-N312 VanDerWaalsContact O-CB 3.23Å; S308-N312 WeakPolarHBondContact O-CB 3.17Å; S308-N312 VanDerWaalsContact O-CG 3.28Å; S308-N312 PolarHBondContact O-N 2.84Å; S308-N312 PolarHBondContact O-ND2 3.5Å
313V98.9Very high98.5Very high4 Ų455.8 Ų55.82%0.02428%0.28CS..Hα-helixtrans-87.6-40.6-179.2-176.60000110.9E219 M222 I226 F309E219-V313 HydrophobicContact CB-CG2 4.14Å; E219-V313 HydrophobicContact CG-CG2 3.91Å; M222-V313 HydrophobicContact CB-CG1 3.76Å; M222-V313 HydrophobicContact CB-CG2 4.34Å; M222-V313 HydrophobicContact CE-CG2 3.92Å; M222-V313 HydrophobicContact SD-CG1 4.41Å; M222-V313 HydrophobicContact SD-CG2 4.07Å; I226-V313 HydrophobicContact CD1-CG1 3.44Å; I226-V313 VanDerWaalsContact CD1-CG1 3.44Å; F309-V313 HydrophobicContact CD2-CB 4.07Å; F309-V313 HydrophobicContact CD2-CG2 3.64Å; F309-V313 HydrophobicContact CE2-CB 4.12Å; F309-V313 HydrophobicContact CE2-CG1 4.15Å; F309-V313 HydrophobicContact CE2-CG2 3.99Å; F309-V313 HydrophobicContact CG-CG2 4.5Å; F309-V313 WeakPolarHBondContact O-CA 3.44Å; F309-V313 WeakPolarHBondContact O-CB 3.4Å; F309-V313 WeakPolarHBondContact O-CG2 3.42Å; F309-V313 PolarHBondContact O-N 2.88Å
314W98.7Very high98.5Very high38 Ų3855.1 Ų55.114%0.14428%0.276CS..Hα-helixtrans-107.1-1.5-171.7-62.9105.4000115.1I226 F309 A310 V316 K331 L332 Y335I226-W314 HydrophobicContact CD1-CD2 4.36Å; I226-W314 HydrophobicContact CD1-CE3 4.21Å; I226-W314 HydrophobicContact CD1-CH2 3.56Å; I226-W314 HydrophobicContact CD1-CZ2 3.73Å; I226-W314 HydrophobicContact CD1-CZ3 3.83Å; I226-W314 HydrophobicContact CG1-CH2 3.84Å; I226-W314 HydrophobicContact CG1-CZ2 4.36Å; I226-W314 HydrophobicContact CG1-CZ3 4.22Å; I226-W314 HydrophobicContact CG2-CH2 4.32Å; I226-W314 HydrophobicContact CG2-CZ3 3.94Å; F309-W314 AromaticContact CE1-CD1 3.72Å; F309-W314 AromaticContact CE1-NE1 3.28Å; F309-W314 VanDerWaalsContact CE1-NE1 3.28Å; F309-W314 AromaticContact CE2-NE1 3.95Å; F309-W314 AromaticContact CZ-CD1 3.93Å; F309-W314 AromaticContact CZ-NE1 3.16Å; A310-W314 CarbonylContact O-C 3.52Å; A310-W314 WeakPolarHBondContact O-CA 3.33Å; A310-W314 VanDerWaalsContact O-CB 3.3Å; A310-W314 WeakPolarHBondContact O-CB 3.39Å; A310-W314 PolarHBondContact O-N 3.12Å; W314-V316 HydrophobicContact CB-CG2 4.02Å; W314-V316 PolarHBondContact O-N 2.86Å; W314-K331 HydrophobicContact CB-CD 3.59Å; W314-K331 HydrophobicContact CD2-CB 3.63Å; W314-K331 HydrophobicContact CD2-CD 4.08Å; W314-K331 HydrophobicContact CE3-CB 3.81Å; W314-K331 HydrophobicContact CE3-CD 4.1Å; W314-K331 HydrophobicContact CE3-CG 4.49Å; W314-K331 HydrophobicContact CG-CB 4Å; W314-K331 HydrophobicContact CG-CD 3.9Å; W314-K331 HydrophobicContact CZ2-CB 4.39Å; W314-K331 HydrophobicContact CZ3-CB 4.26Å; W314-L332 HydrophobicContact CZ2-CB 4.07Å; W314-L332 HydrophobicContact CZ2-CD1 4.05Å; W314-Y335 HydrophobicContact CH2-CD1 4.34Å; W314-Y335 HydrophobicContact CH2-CD2 4.28Å; W314-Y335 AromaticContact CH2-CG 3.81Å; W314-Y335 HydrophobicContact CH2-CG 3.81Å
315N98.4Very high98.6Very high123 Ų12349.8 Ų49.866%0.65825%0.248SC*.  trans5438.6-176.1-51.1-68.3000112.4A310 W311A310-N315 PolarHBondContact O-N 2.71Å; W311-N315 WeakPolarHBondContact O-CA 3.46Å; W311-N315 PolarHBondContact O-N 3.29Å; W311-N315 VanDerWaalsContact O-N 3.11Å
316V98.6Very high98.6Very high15 Ų1551.2 Ų51.29%0.09125%0.252CS..  trans-66.5133.6174.2172.40000109.3A310 W314 E318 A324 I327 K331A310-V316 HydrophobicContact CB-CB 4.08Å; A310-V316 HydrophobicContact CB-CG2 4.01Å; A310-V316 WeakPolarHBondContact O-CB 3.49Å; A310-V316 WeakPolarHBondContact O-CG2 3.11Å; A310-V316 PolarHBondContact O-N 2.85Å; A310-V316 VanDerWaalsContact O-N 3.11Å; W314-V316 HydrophobicContact CB-CG2 4.02Å; W314-V316 PolarHBondContact O-N 2.86Å; V316-E318 HydrophobicContact CG1-CB 3.86Å; V316-A324 HydrophobicContact CG1-CB 4.21Å; V316-I327 HydrophobicContact CG1-CB 4.4Å; V316-I327 HydrophobicContact CG1-CD1 4.31Å; V316-I327 HydrophobicContact CG1-CG2 4.15Å; V316-I327 HydrophobicContact CG2-CB 4.41Å; V316-I327 HydrophobicContact CG2-CG2 3.64Å; V316-K331 HydrophobicContact CG2-CD 4.07Å
317E98.4Very high98.6Very high167 Ų16753.3 Ų53.378%0.7826%0.263SS*.  trans-91.8-23.2-178.5-65.3-173171.400113.5K319E317-K319 WeakPolarHBondContact O-CD 3.29Å; E317-K319 WeakPolarHBondContact O-CE 3.22Å; E317-K319 PolarHBondContact O-N 2.7Å; E317-K319 PolarHBondContact O-NZ 3.5Å
318E98.4Very high98.6Very high73 Ų7353.3 Ų53.334%0.34126%0.263SS..  trans-50.5132.9179.7178.450.2-107.700111.2W311 V316 V320 L323 A324 I327W311-E318 PolarHBondContact NE1-O 3.28Å; V316-E318 HydrophobicContact CG1-CB 3.86Å; E318-V320 WeakPolarHBondContact OE1-CB 3.48Å; E318-V320 WeakPolarHBondContact OE1-CG2 3.35Å; E318-V320 PolarHBondContact OE1-N 3.19Å; E318-L323 HydrophobicContact CG-CB 3.72Å; E318-A324 HydrophobicContact CB-CB 4.35Å; E318-A324 HydrophobicContact CG-CB 4.4Å; E318-I327 HydrophobicContact CB-CD1 4.05Å; E318-I327 HydrophobicContact CG-CD1 4.32Å
319K97.5Very high98.6Very high155 Ų15551.7 Ų51.767%0.67425%0.251SS*.  trans-100.1-20.8-173.1-59.3-55.4178.4-156.90113.5E317 P321E317-K319 WeakPolarHBondContact O-CD 3.29Å; E317-K319 WeakPolarHBondContact O-CE 3.22Å; E317-K319 PolarHBondContact O-N 2.7Å; E317-K319 PolarHBondContact O-NZ 3.5Å; K319-P321 VanDerWaalsContact O-CD 3.24Å; K319-P321 WeakPolarHBondContact O-CD 3.5Å
320V98.4Very high98.6Very high75 Ų7552.2 Ų52.246%0.45525%0.254SS..SBendtrans-71.5113.6173.5178.80000108.4E318 M322 L323 A324E318-V320 WeakPolarHBondContact OE1-CB 3.48Å; E318-V320 WeakPolarHBondContact OE1-CG2 3.35Å; E318-V320 PolarHBondContact OE1-N 3.19Å; V320-M322 VanDerWaalsContact C-N 3.33Å; V320-M322 PolarHBondContact O-N 3.42Å; V320-L323 HydrophobicContact CB-CB 4.23Å; V320-L323 HydrophobicContact CB-CD1 4.09Å; V320-L323 HydrophobicContact CB-CG 4.2Å; V320-L323 HydrophobicContact CG1-CB 4.39Å; V320-L323 HydrophobicContact CG1-CD1 4.22Å; V320-L323 HydrophobicContact CG1-CG 4.02Å; V320-L323 HydrophobicContact CG2-CD1 4.48Å; V320-L323 PolarHBondContact O-N 3.5Å; V320-L323 VanDerWaalsContact O-N 3.09Å; V320-A324 PolarHBondContact O-N 3.36Å
321P98.5Very high98.6Very high47 Ų4756.2 Ų56.231%0.30527%0.271SS..Hα-helixtrans-56-42.9-169.8-29.837.6000114V303 A307 K319 L323 A324 A325V303-P321 VanDerWaalsContact CG2-C 3.48Å; V303-P321 HydrophobicContact CG2-CB 3.75Å; A307-P321 HydrophobicContact CB-CB 3.99Å; K319-P321 VanDerWaalsContact O-CD 3.24Å; K319-P321 WeakPolarHBondContact O-CD 3.5Å; P321-L323 PolarHBondContact O-N 2.84Å; P321-A324 PolarHBondContact O-N 2.98Å; P321-A325 VanDerWaalsContact O-CB 3.31Å; P321-A325 WeakPolarHBondContact O-CB 3.3Å; P321-A325 PolarHBondContact O-N 3.02Å
322M98.6Very high98.6Very high53 Ų5352.5 Ų52.526%0.26126%0.257SS..Hα-helixtrans-63.8-40.3179.7-17559.270.500112.7L298 V303 V320 R326L298-M322 HydrophobicContact CD1-CE 4.44Å; L298-M322 HydrophobicContact CD1-SD 4.05Å; L298-M322 HydrophobicContact CD2-SD 3.83Å; L298-M322 HydrophobicContact CG-SD 3.89Å; V303-M322 HydrophobicContact CB-CE 4.26Å; V303-M322 HydrophobicContact CG2-CB 4.15Å; V303-M322 HydrophobicContact CG2-CE 4.04Å; V303-M322 HydrophobicContact CG2-SD 4.36Å; V320-M322 VanDerWaalsContact C-N 3.33Å; V320-M322 PolarHBondContact O-N 3.42Å; M322-R326 WeakPolarHBondContact O-CG 3.29Å; M322-R326 PolarHBondContact O-N 3.19Å; M322-R326 VanDerWaalsContact O-N 3.15Å
323L98.4Very high98.6Very high79 Ų7949.6 Ų49.641%0.41424%0.241SC..Hα-helixtrans-71.1-42177.1-64.9-178.9000111.1E318 V320 P321 A325 R326 I327E318-L323 HydrophobicContact CG-CB 3.72Å; V320-L323 HydrophobicContact CB-CB 4.23Å; V320-L323 HydrophobicContact CB-CD1 4.09Å; V320-L323 HydrophobicContact CB-CG 4.2Å; V320-L323 HydrophobicContact CG1-CB 4.39Å; V320-L323 HydrophobicContact CG1-CD1 4.22Å; V320-L323 HydrophobicContact CG1-CG 4.02Å; V320-L323 HydrophobicContact CG2-CD1 4.48Å; V320-L323 PolarHBondContact O-N 3.5Å; V320-L323 VanDerWaalsContact O-N 3.09Å; P321-L323 PolarHBondContact O-N 2.84Å; L323-A325 VanDerWaalsContact C-N 3.32Å; L323-A325 PolarHBondContact O-N 2.88Å; L323-R326 PolarHBondContact O-N 2.78Å; L323-I327 VanDerWaalsContact O-CG1 3.27Å; L323-I327 WeakPolarHBondContact O-CG1 3.13Å; L323-I327 PolarHBondContact O-N 3.49Å
324A98.8Very high98.6Very high0 Ų052.6 Ų52.60%026%0.257CS..Hα-helixtrans-59-4517500000111.5A307 A310 W311 V316 E318 V320 P321 I327 G328A307-A324 HydrophobicContact CB-CB 4.35Å; A310-A324 HydrophobicContact CB-CB 4.38Å; A310-A324 WeakPolarHBondContact CB-O 3.48Å; W311-A324 HydrophobicContact CZ2-CB 4.26Å; V316-A324 HydrophobicContact CG1-CB 4.21Å; E318-A324 HydrophobicContact CB-CB 4.35Å; E318-A324 HydrophobicContact CG-CB 4.4Å; V320-A324 PolarHBondContact O-N 3.36Å; P321-A324 PolarHBondContact O-N 2.98Å; A324-I327 PolarHBondContact O-N 3.01Å; A324-G328 PolarHBondContact O-N 3.12Å
325A98.8Very high98.6Very high0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-55.2-52.4175.600000111.9L298 V303 F306 P321 L323 I327 G328 I329L298-A325 HydrophobicContact CD1-CB 3.71Å; L298-A325 HydrophobicContact CD2-CB 3.97Å; V303-A325 HydrophobicContact CG2-CB 4.36Å; F306-A325 HydrophobicContact CB-CB 3.47Å; F306-A325 VanDerWaalsContact CB-CB 3.47Å; P321-A325 VanDerWaalsContact O-CB 3.31Å; P321-A325 WeakPolarHBondContact O-CB 3.3Å; P321-A325 PolarHBondContact O-N 3.02Å; L323-A325 VanDerWaalsContact C-N 3.32Å; L323-A325 PolarHBondContact O-N 2.88Å; A325-I327 PolarHBondContact O-N 3.05Å; A325-G328 WeakPolarHBondContact O-CA 3.41Å; A325-G328 PolarHBondContact O-N 3.19Å; A325-G328 VanDerWaalsContact O-N 3.08Å; A325-I329 WeakPolarHBondContact O-CG1 3.37Å; A325-I329 PolarHBondContact O-N 2.95Å
326R98.8Very high98.6Very high68 Ų6845.9 Ų45.926%0.25722%0.223SC..Hα-helixtrans-57.6-46177.7-78.2-176177.2-71.2-10.7113E295 L298 M322 L323 G328 I329 Q330 F394E295-R326 IonicContact OE1-CZ 3.29Å; E295-R326 VanDerWaalsContact OE1-CZ 3.29Å; E295-R326 IonicContact OE1-NH1 3.88Å; E295-R326 PolarHBondContact OE1-NH1 2.95Å; E295-R326 IonicContact OE1-NH2 3.7Å; E295-R326 PolarHBondContact OE1-NH2 3.01Å; E295-R326 IonicContact OE2-CZ 3.85Å; E295-R326 IonicContact OE2-NH1 3.78Å; E295-R326 PolarHBondContact OE2-NH1 2.81Å; E295-R326 VanDerWaalsContact OE2-NH1 3.17Å; E295-R326 IonicContact OE2-NH2 2.59Å; L298-R326 HydrophobicContact CD2-CG 3.97Å; M322-R326 WeakPolarHBondContact O-CG 3.29Å; M322-R326 PolarHBondContact O-N 3.19Å; M322-R326 VanDerWaalsContact O-N 3.15Å; L323-R326 PolarHBondContact O-N 2.78Å; R326-G328 VanDerWaalsContact C-N 3.3Å; R326-G328 PolarHBondContact O-N 2.88Å; R326-I329 PolarHBondContact O-N 3.24Å; R326-Q330 PolarHBondContact O-N 3.32Å; R326-F394 VanDerWaalsContact CB-O 3.24Å; R326-F394 WeakPolarHBondContact CB-O 3.48Å; R326-F394 WeakPolarHBondContact CD-O 3.19Å; R326-F394 VanDerWaalsContact CG-O 3.28Å; R326-F394 WeakPolarHBondContact CG-O 3.49Å; R326-F394 PolarHBondContact NH1-O 2.84Å; R326-F394 VanDerWaalsContact NH1-O 3.16Å
327I98.8Very high98.6Very high45 Ų4549.9 Ų49.923%0.23124%0.239CC..Hα-helixtrans-60.7-40.1174.9-65.2164.1000110.9V316 E318 L323 A324 A325 Q330 K331V316-I327 HydrophobicContact CG1-CB 4.4Å; V316-I327 HydrophobicContact CG1-CD1 4.31Å; V316-I327 HydrophobicContact CG1-CG2 4.15Å; V316-I327 HydrophobicContact CG2-CB 4.41Å; V316-I327 HydrophobicContact CG2-CG2 3.64Å; E318-I327 HydrophobicContact CB-CD1 4.05Å; E318-I327 HydrophobicContact CG-CD1 4.32Å; L323-I327 VanDerWaalsContact O-CG1 3.27Å; L323-I327 WeakPolarHBondContact O-CG1 3.13Å; L323-I327 PolarHBondContact O-N 3.49Å; A324-I327 PolarHBondContact O-N 3.01Å; A325-I327 PolarHBondContact O-N 3.05Å; I327-Q330 PolarHBondContact O-N 3.48Å; I327-K331 HydrophobicContact CG2-CD 4.27Å; I327-K331 HydrophobicContact CG2-CG 4.44Å; I327-K331 WeakPolarHBondContact O-CB 3.13Å; I327-K331 WeakPolarHBondContact O-CG 3.5Å; I327-K331 PolarHBondContact O-N 3.33Å
328G98.8Very high98.6Very high0 Ų047.7 Ų47.70%024%0.237CC..Hα-helixtrans-61.6-42.9176.700000113A324 A325 R326 K331 L332A324-G328 PolarHBondContact O-N 3.12Å; A325-G328 WeakPolarHBondContact O-CA 3.41Å; A325-G328 PolarHBondContact O-N 3.19Å; A325-G328 VanDerWaalsContact O-N 3.08Å; R326-G328 VanDerWaalsContact C-N 3.3Å; R326-G328 PolarHBondContact O-N 2.88Å; G328-K331 PolarHBondContact O-N 3.19Å; G328-L332 PolarHBondContact O-N 3.43Å; G328-L332 VanDerWaalsContact O-N 3.16Å
329I98.9Very high98.6Very high0 Ų044.9 Ų44.90%023%0.225CC..Hα-helixtrans-65.3-45.8176.3-60170.6000110.1P291 M294 L298 F306 A325 R326 K331 L332 Y333 F394P291-I329 HydrophobicContact CB-CG2 4.14Å; P291-I329 WeakPolarHBondContact O-CG2 3.41Å; M294-I329 HydrophobicContact CB-CD1 3.81Å; M294-I329 HydrophobicContact CB-CG1 3.79Å; M294-I329 HydrophobicContact CB-CG2 4.11Å; M294-I329 HydrophobicContact SD-CG1 4.11Å; L298-I329 HydrophobicContact CB-CD1 4.46Å; L298-I329 HydrophobicContact CD2-CD1 3.93Å; F306-I329 HydrophobicContact CD1-CD1 4.4Å; F306-I329 HydrophobicContact CD1-CG1 4.43Å; A325-I329 WeakPolarHBondContact O-CG1 3.37Å; A325-I329 PolarHBondContact O-N 2.95Å; R326-I329 PolarHBondContact O-N 3.24Å; I329-K331 VanDerWaalsContact C-N 3.34Å; I329-K331 PolarHBondContact O-N 3.45Å; I329-L332 PolarHBondContact O-N 3.16Å; I329-Y333 PolarHBondContact O-N 3.01Å; I329-F394 HydrophobicContact CB-CB 4.26Å; I329-F394 HydrophobicContact CB-CG 4.26Å; I329-F394 HydrophobicContact CG2-CB 4.08Å; I329-F394 HydrophobicContact CG2-CD1 3.7Å; I329-F394 HydrophobicContact CG2-CD2 3.75Å; I329-F394 HydrophobicContact CG2-CE1 4.01Å; I329-F394 HydrophobicContact CG2-CE2 4.07Å; I329-F394 HydrophobicContact CG2-CG 3.54Å; I329-F394 HydrophobicContact CG2-CZ 4.18Å
330Q98.8Very high98.7Very high12 Ų1240.2 Ų40.26%0.05622%0.222CC..Hα-helixtrans-59.3-43.1176.8-172.96454.900111.8R326 I327 L332 Y333 D334 S393 F394 E395R326-Q330 PolarHBondContact O-N 3.32Å; I327-Q330 PolarHBondContact O-N 3.48Å; Q330-L332 VanDerWaalsContact C-N 3.33Å; Q330-L332 PolarHBondContact O-N 2.86Å; Q330-Y333 WeakPolarHBondContact O-CB 3.45Å; Q330-Y333 PolarHBondContact O-N 3.4Å; Q330-D334 PolarHBondContact NE2-OD1 3.38Å; Q330-D334 WeakPolarHBondContact O-CB 3.47Å; Q330-D334 VanDerWaalsContact O-CG 3.29Å; Q330-D334 PolarHBondContact O-N 2.88Å; Q330-S393 PolarHBondContact OE1-OG 3.31Å; Q330-F394 HydrophobicContact CB-CB 4.46Å; Q330-E395 HydrophobicContact CB-CG 3.88Å; Q330-E395 HydrophobicContact CG-CG 3.82Å
331K98.9Very high98.7Very high84 Ų8437.1 Ų37.137%0.36520%0.202SC..Hα-helixtrans-62.7-37.8177.2-76.5-177-178.8-58.90113.2W314 V316 I327 G328 I329 Y335W314-K331 HydrophobicContact CB-CD 3.59Å; W314-K331 HydrophobicContact CD2-CB 3.63Å; W314-K331 HydrophobicContact CD2-CD 4.08Å; W314-K331 HydrophobicContact CE3-CB 3.81Å; W314-K331 HydrophobicContact CE3-CD 4.1Å; W314-K331 HydrophobicContact CE3-CG 4.49Å; W314-K331 HydrophobicContact CG-CB 4Å; W314-K331 HydrophobicContact CG-CD 3.9Å; W314-K331 HydrophobicContact CZ2-CB 4.39Å; W314-K331 HydrophobicContact CZ3-CB 4.26Å; V316-K331 HydrophobicContact CG2-CD 4.07Å; I327-K331 HydrophobicContact CG2-CD 4.27Å; I327-K331 HydrophobicContact CG2-CG 4.44Å; I327-K331 WeakPolarHBondContact O-CB 3.13Å; I327-K331 WeakPolarHBondContact O-CG 3.5Å; I327-K331 PolarHBondContact O-N 3.33Å; G328-K331 PolarHBondContact O-N 3.19Å; I329-K331 VanDerWaalsContact C-N 3.34Å; I329-K331 PolarHBondContact O-N 3.45Å; K331-Y335 WeakPolarHBondContact O-CB 3.46Å; K331-Y335 PolarHBondContact O-N 3.35Å
332L98.9Very high98.7Very high0 Ų036.2 Ų36.20%020%0.197CC..Hα-helixtrans-64.8-45.8174.3-178.566.8000111.3M197 I201 T290 P291 M294 F309 W314 G328 I329 Q330 Y335 F336M197-L332 HydrophobicContact CE-CD1 4.03Å; I201-L332 HydrophobicContact CD1-CD1 4.14Å; I201-L332 HydrophobicContact CD1-CD2 3.71Å; T290-L332 HydrophobicContact CG2-CD2 3.86Å; P291-L332 HydrophobicContact CG-CD2 4.45Å; M294-L332 HydrophobicContact CE-CD2 3.58Å; M294-L332 HydrophobicContact SD-CD2 3.64Å; F309-L332 HydrophobicContact CZ-CB 4.44Å; F309-L332 HydrophobicContact CZ-CD2 4.39Å; W314-L332 HydrophobicContact CZ2-CB 4.07Å; W314-L332 HydrophobicContact CZ2-CD1 4.05Å; G328-L332 PolarHBondContact O-N 3.43Å; G328-L332 VanDerWaalsContact O-N 3.16Å; I329-L332 PolarHBondContact O-N 3.16Å; Q330-L332 VanDerWaalsContact C-N 3.33Å; Q330-L332 PolarHBondContact O-N 2.86Å; L332-Y335 PolarHBondContact O-N 3.3Å; L332-F336 HydrophobicContact CD1-CD2 4.26Å; L332-F336 HydrophobicContact CD1-CE1 4.26Å; L332-F336 HydrophobicContact CD1-CE2 3.62Å; L332-F336 HydrophobicContact CD1-CZ 3.61Å; L332-F336 HydrophobicContact CD2-CE2 4.14Å; L332-F336 HydrophobicContact CG-CD2 4.15Å; L332-F336 HydrophobicContact CG-CE2 3.69Å; L332-F336 HydrophobicContact CG-CZ 4.23Å; L332-F336 PolarHBondContact O-N 3.1Å; L332-F336 VanDerWaalsContact O-N 3.09Å
333Y98.8Very high98.7Very high3 Ų333.8 Ų33.81%0.01219%0.185CC..Hα-helixtrans-57-52175.9-176.5-89.5000111.8P291 I329 Q330 Y335 F336 K337 M343 E391 S392 F394P291-Y333 HydrophobicContact CB-CD2 4.03Å; P291-Y333 HydrophobicContact CG-CD2 4.1Å; I329-Y333 PolarHBondContact O-N 3.01Å; Q330-Y333 WeakPolarHBondContact O-CB 3.45Å; Q330-Y333 PolarHBondContact O-N 3.4Å; Y333-Y335 VanDerWaalsContact C-N 3.29Å; Y333-Y335 PolarHBondContact O-N 2.92Å; Y333-F336 PolarHBondContact O-N 3.28Å; Y333-K337 HydrophobicContact CE1-CD 4.18Å; Y333-K337 WeakPolarHBondContact O-CB 3.04Å; Y333-K337 PolarHBondContact O-N 2.94Å; Y333-M343 HydrophobicContact CD2-CE 3.47Å; Y333-M343 VanDerWaalsContact CD2-CE 3.47Å; Y333-M343 HydrophobicContact CE2-CB 3.97Å; Y333-M343 HydrophobicContact CE2-CE 3.61Å; Y333-M343 HydrophobicContact CE2-CG 4.34Å; Y333-M343 HydrophobicContact CG-CE 4.14Å; Y333-E391 PolarHBondContact OH-OE2 2.73Å; Y333-S392 PolarHBondContact OH-N 2.81Å; Y333-F394 AromaticContact CD2-CE2 3.66Å; Y333-F394 HydrophobicContact CD2-CE2 3.66Å; Y333-F394 HydrophobicContact CD2-CZ 4.28Å; Y333-F394 HydrophobicContact CE2-CE2 4.38Å; Y333-F394 AromaticContact CG-CE2 3.86Å; Y333-F394 HydrophobicContact CG-CE2 3.86Å
334D98.8Very high98.7Very high67 Ų6730.6 Ų30.636%0.35817%0.169SC..Hα-helixtrans-64.6-35-179.2-69.2-17.2000112.2Q330 T338Q330-D334 PolarHBondContact NE2-OD1 3.38Å; Q330-D334 WeakPolarHBondContact O-CB 3.47Å; Q330-D334 VanDerWaalsContact O-CG 3.29Å; Q330-D334 PolarHBondContact O-N 2.88Å; D334-T338 VanDerWaalsContact O-CB 3.22Å; D334-T338 WeakPolarHBondContact O-CB 3.25Å; D334-T338 PolarHBondContact O-N 3.06Å; D334-T338 PolarHBondContact O-OG1 2.62Å
335Y98.8Very high98.7Very high20 Ų2030.6 Ų30.68%0.07817%0.169CC..Hα-helixtrans-62.8-49.1175.1167.8-100.8000111.7V225 I226 C229 P230 W314 K331 L332 Y333 K337 T338 C339V225-Y335 PolarHBondContact O-OH 3.23Å; I226-Y335 HydrophobicContact CB-CE2 4.31Å; I226-Y335 HydrophobicContact CG1-CE2 4.33Å; I226-Y335 HydrophobicContact CG2-CD2 4.38Å; I226-Y335 HydrophobicContact CG2-CE2 4.23Å; C229-Y335 VanDerWaalsContact CB-OH 3.25Å; C229-Y335 WeakPolarHBondContact CB-OH 3.36Å; P230-Y335 HydrophobicContact CG-CE2 4.18Å; W314-Y335 HydrophobicContact CH2-CD1 4.34Å; W314-Y335 HydrophobicContact CH2-CD2 4.28Å; W314-Y335 AromaticContact CH2-CG 3.81Å; W314-Y335 HydrophobicContact CH2-CG 3.81Å; K331-Y335 WeakPolarHBondContact O-CB 3.46Å; K331-Y335 PolarHBondContact O-N 3.35Å; L332-Y335 PolarHBondContact O-N 3.3Å; Y333-Y335 VanDerWaalsContact C-N 3.29Å; Y333-Y335 PolarHBondContact O-N 2.92Å; Y335-K337 VanDerWaalsContact C-N 3.34Å; Y335-K337 PolarHBondContact O-N 3.27Å; Y335-T338 PolarHBondContact O-N 3.32Å; Y335-C339 PolarHBondContact O-N 3.4Å; Y335-C339 PolarHBondContact O-SG 3.48Å
336F98.8Very high98.7Very high1 Ų133.8 Ų33.80%0.00419%0.189CC..Hα-helixtrans-62.7-42.4177.2-69.8-35.3000111.8A194 M197 A287 P291 L332 Y333 T338 C339 G340 I341 M343A194-F336 HydrophobicContact CB-CD1 4.08Å; A194-F336 HydrophobicContact CB-CE1 3.66Å; A194-F336 HydrophobicContact CB-CZ 4.13Å; M197-F336 HydrophobicContact CB-CE1 4.21Å; M197-F336 HydrophobicContact CB-CZ 4Å; M197-F336 HydrophobicContact CG-CE1 4.24Å; M197-F336 HydrophobicContact CG-CZ 4.46Å; A287-F336 HydrophobicContact CB-CB 4.25Å; A287-F336 HydrophobicContact CB-CD1 4.24Å; A287-F336 HydrophobicContact CB-CD2 3.74Å; A287-F336 HydrophobicContact CB-CE2 4.05Å; A287-F336 HydrophobicContact CB-CG 3.84Å; A287-F336 HydrophobicContact CB-CZ 4.44Å; P291-F336 HydrophobicContact CG-CD2 4.47Å; L332-F336 HydrophobicContact CD1-CD2 4.26Å; L332-F336 HydrophobicContact CD1-CE1 4.26Å; L332-F336 HydrophobicContact CD1-CE2 3.62Å; L332-F336 HydrophobicContact CD1-CZ 3.61Å; L332-F336 HydrophobicContact CD2-CE2 4.14Å; L332-F336 HydrophobicContact CG-CD2 4.15Å; L332-F336 HydrophobicContact CG-CE2 3.69Å; L332-F336 HydrophobicContact CG-CZ 4.23Å; L332-F336 PolarHBondContact O-N 3.1Å; L332-F336 VanDerWaalsContact O-N 3.09Å; Y333-F336 PolarHBondContact O-N 3.28Å; F336-T338 PolarHBondContact O-N 3.09Å; F336-C339 WeakPolarHBondContact O-CB 3.45Å; F336-C339 PolarHBondContact O-N 3.19Å; F336-C339 VanDerWaalsContact O-N 3.16Å; F336-G340 PolarHBondContact O-N 3.29Å; F336-I341 HydrophobicContact CB-CD1 4.23Å; F336-I341 HydrophobicContact CD1-CD1 4.03Å; F336-I341 HydrophobicContact CG-CD1 4.39Å; F336-I341 WeakPolarHBondContact O-CB 3.46Å; F336-I341 PolarHBondContact O-N 3.02Å; F336-M343 HydrophobicContact CB-CE 4.09Å; F336-M343 HydrophobicContact CB-SD 3.67Å; F336-M343 HydrophobicContact CD2-CE 4.49Å
337K98.5Very high98.6Very high98 Ų9835.8 Ų35.843%0.42620%0.201SC..Hα-helixtrans-59.4-44.7174.1-168.1168.1-174.9164.30112.2Y333 Y335 C339 G340 M343 E391Y333-K337 HydrophobicContact CE1-CD 4.18Å; Y333-K337 WeakPolarHBondContact O-CB 3.04Å; Y333-K337 PolarHBondContact O-N 2.94Å; Y335-K337 VanDerWaalsContact C-N 3.34Å; Y335-K337 PolarHBondContact O-N 3.27Å; K337-C339 VanDerWaalsContact C-N 3.28Å; K337-C339 PolarHBondContact O-N 3.16Å; K337-G340 WeakPolarHBondContact O-CA 3.28Å; K337-G340 PolarHBondContact O-N 3.47Å; K337-M343 HydrophobicContact CB-CG 3.87Å; K337-M343 HydrophobicContact CG-CG 4.21Å; K337-E391 IonicContact NZ-OE1 2.81Å; K337-E391 IonicContact NZ-OE2 3.17Å; K337-E391 PolarHBondContact NZ-OE2 3.09Å
338T98.3Very high98.5Very high122 Ų12235.6 Ų35.675%0.74820%0.202SC*.Hα-helixtrans-65.3-30.8177.4-60.80000112.3D334 Y335 F336 G340D334-T338 VanDerWaalsContact O-CB 3.22Å; D334-T338 WeakPolarHBondContact O-CB 3.25Å; D334-T338 PolarHBondContact O-N 3.06Å; D334-T338 PolarHBondContact O-OG1 2.62Å; Y335-T338 PolarHBondContact O-N 3.32Å; F336-T338 PolarHBondContact O-N 3.09Å; T338-G340 PolarHBondContact O-N 2.97Å
339C98.6Very high98.5Very high13 Ų1338.7 Ų38.79%0.08823%0.234CC..THydrogen-bonded Turntrans-71.4-3.7172.1-66.40000113.3A190 L233 Y335 F336 K337 I341A190-C339 HydrophobicContact CB-CB 4.16Å; L233-C339 HydrophobicContact CD1-CB 3.81Å; Y335-C339 PolarHBondContact O-N 3.4Å; Y335-C339 PolarHBondContact O-SG 3.48Å; F336-C339 WeakPolarHBondContact O-CB 3.45Å; F336-C339 PolarHBondContact O-N 3.19Å; F336-C339 VanDerWaalsContact O-N 3.16Å; K337-C339 VanDerWaalsContact C-N 3.28Å; K337-C339 PolarHBondContact O-N 3.16Å; C339-I341 HydrophobicContact CB-CG1 4.4Å
340G98.1Very high98.4Very high58 Ų5838.8 Ų38.860%0.59823%0.234SC*.THydrogen-bonded Turntrans82.221.9178.900000113.7F336 K337 T338F336-G340 PolarHBondContact O-N 3.29Å; K337-G340 WeakPolarHBondContact O-CA 3.28Å; K337-G340 PolarHBondContact O-N 3.47Å; T338-G340 PolarHBondContact O-N 2.97Å
341I98.7Very high98.3Very high9 Ų942 Ų425%0.04625%0.252CS..  trans-82.6130.2174.4-54.6179.1000108.4A190 A194 V284 A287 F336 C339 M343A190-I341 HydrophobicContact CB-CD1 4.12Å; A190-I341 HydrophobicContact CB-CG1 3.79Å; A194-I341 HydrophobicContact CB-CD1 3.75Å; V284-I341 HydrophobicContact CB-CG2 4.34Å; V284-I341 HydrophobicContact CG1-CG2 3.91Å; V284-I341 HydrophobicContact CG2-CG2 4.22Å; A287-I341 HydrophobicContact CB-CD1 3.89Å; A287-I341 HydrophobicContact CB-CG2 3.82Å; F336-I341 HydrophobicContact CB-CD1 4.23Å; F336-I341 HydrophobicContact CD1-CD1 4.03Å; F336-I341 HydrophobicContact CG-CD1 4.39Å; F336-I341 WeakPolarHBondContact O-CB 3.46Å; F336-I341 PolarHBondContact O-N 3.02Å; C339-I341 HydrophobicContact CB-CG1 4.4Å; I341-M343 HydrophobicContact CB-SD 4.49Å; I341-M343 PolarHBondContact O-N 2.88Å
342P98.2Very high98.2Very high29 Ų2944.1 Ų44.119%0.18826%0.263CS..  trans-58.3135.4168.8-20.632000110.2I288 E347 V348I288-P342 WeakPolarHBondContact CG1-O 3.46Å; P342-E347 HydrophobicContact CB-CB 3.73Å; P342-V348 HydrophobicContact CB-CG1 4.01Å; P342-V348 HydrophobicContact CG-CG1 4.05Å
343M98.4Very high98.2Very high2 Ų250.9 Ų50.91%0.0130%0.295CS..  trans-106.76.8-171.5-67.5-52.7-62.600113.3P291 R292 Y333 F336 K337 I341 E347P291-M343 HydrophobicContact CG-CE 4.34Å; R292-M343 PolarHBondContact NH1-O 2.97Å; R292-M343 PolarHBondContact NH2-O 3.44Å; Y333-M343 HydrophobicContact CD2-CE 3.47Å; Y333-M343 VanDerWaalsContact CD2-CE 3.47Å; Y333-M343 HydrophobicContact CE2-CB 3.97Å; Y333-M343 HydrophobicContact CE2-CE 3.61Å; Y333-M343 HydrophobicContact CE2-CG 4.34Å; Y333-M343 HydrophobicContact CG-CE 4.14Å; F336-M343 HydrophobicContact CB-CE 4.09Å; F336-M343 HydrophobicContact CB-SD 3.67Å; F336-M343 HydrophobicContact CD2-CE 4.49Å; K337-M343 HydrophobicContact CB-CG 3.87Å; K337-M343 HydrophobicContact CG-CG 4.21Å; I341-M343 HydrophobicContact CB-SD 4.49Å; I341-M343 PolarHBondContact O-N 2.88Å; M343-E347 PolarHBondContact N-OE2 3.11Å
344T98.7Very high98.1Very high12 Ų1253.2 Ų53.27%0.07431%0.305CS..SBendtrans-132.8150.6175.669.40000111.9E347 C388 T390 E391T344-E347 PolarHBondContact N-OE2 2.63Å; T344-E347 PolarHBondContact O-N 2.86Å; T344-E347 WeakPolarHBondContact OG1-CG 3.49Å; T344-E347 PolarHBondContact OG1-OE2 2.87Å; T344-C388 CarbonylContact C-O 3.49Å; T344-C388 VanDerWaalsContact CA-O 3.3Å; T344-C388 WeakPolarHBondContact CA-O 3.34Å; T344-T390 VanDerWaalsContact CG2-C 3.44Å; T344-E391 HydrophobicContact CG2-CG 4.22Å
345L98.7Very high98Very high0 Ų050.1 Ų50.10%029%0.288CS..THydrogen-bonded Turntrans-62.5-38.4176.5-72.6177.3000113.2L274 I288 E347 V348 G349 I350 F355 C388L274-L345 HydrophobicContact CD1-CD2 3.88Å; L274-L345 HydrophobicContact CD2-CD1 4.33Å; L274-L345 HydrophobicContact CD2-CD2 4.06Å; I288-L345 HydrophobicContact CD1-CD2 4.41Å; I288-L345 HydrophobicContact CG2-CD2 4.19Å; I288-L345 HydrophobicContact CG2-CG 4.17Å; L345-E347 VanDerWaalsContact C-N 3.31Å; L345-E347 PolarHBondContact O-N 2.71Å; L345-V348 HydrophobicContact CD2-CG2 4.48Å; L345-V348 CarbonylContact O-C 3.5Å; L345-V348 WeakPolarHBondContact O-CG2 3.42Å; L345-V348 PolarHBondContact O-N 3.38Å; L345-V348 VanDerWaalsContact O-N 3.11Å; L345-G349 PolarHBondContact O-N 2.56Å; L345-I350 CarbonylContact C-O 3.58Å; L345-I350 HydrophobicContact CB-CB 3.98Å; L345-I350 HydrophobicContact CB-CG2 4.16Å; L345-I350 HydrophobicContact CD1-CG2 4.26Å; L345-I350 HydrophobicContact CD2-CB 4.27Å; L345-I350 HydrophobicContact CD2-CD1 4.15Å; L345-I350 HydrophobicContact CD2-CG2 4.25Å; L345-I350 HydrophobicContact CG-CG2 4.45Å; L345-I350 PolarHBondContact O-N 3.33Å; L345-F355 HydrophobicContact CD1-CE1 3.93Å; L345-F355 HydrophobicContact CD1-CZ 3.65Å; L345-C388 HydrophobicContact CD1-CB 3.67Å; L345-C388 HydrophobicContact CG-CB 3.69Å; L345-C388 PolarHBondContact N-O 2.95Å
346P98.5Very high98Very high66 Ų6653.8 Ų53.843%0.42931%0.309SS..G310 helixtrans-61.6-32.8176.1-29.838.6000114.6V348 G349 I350 L389P346-V348 PolarHBondContact O-N 2.71Å; P346-G349 PolarHBondContact O-N 2.96Å; P346-I350 WeakPolarHBondContact CA-O 3.11Å; P346-L389 HydrophobicContact CG-CD2 4.16Å
347E98.1Very high97.9Very high111 Ų11157.8 Ų57.852%0.51933%0.328SS..G310 helixtrans-64-21.3176.5-73.3171.3109.800113.2P342 M343 T344 L345P342-E347 HydrophobicContact CB-CB 3.73Å; M343-E347 PolarHBondContact N-OE2 3.11Å; T344-E347 PolarHBondContact N-OE2 2.63Å; T344-E347 PolarHBondContact O-N 2.86Å; T344-E347 WeakPolarHBondContact OG1-CG 3.49Å; T344-E347 PolarHBondContact OG1-OE2 2.87Å; L345-E347 VanDerWaalsContact C-N 3.31Å; L345-E347 PolarHBondContact O-N 2.71Å
348V97.3Very high97.9Very high41 Ų4153.1 Ų53.125%0.24831%0.308CS..G310 helixtrans-107.214.7176.3-65.10000112.4I280 V284 I288 P342 L345 P346 I350I280-V348 HydrophobicContact CD1-CB 3.9Å; I280-V348 HydrophobicContact CD1-CG1 4.22Å; I280-V348 HydrophobicContact CD1-CG2 3.54Å; V284-V348 HydrophobicContact CG1-CG1 4.08Å; I288-V348 HydrophobicContact CD1-CG1 4.45Å; I288-V348 HydrophobicContact CD1-CG2 4.02Å; P342-V348 HydrophobicContact CB-CG1 4.01Å; P342-V348 HydrophobicContact CG-CG1 4.05Å; L345-V348 HydrophobicContact CD2-CG2 4.48Å; L345-V348 CarbonylContact O-C 3.5Å; L345-V348 WeakPolarHBondContact O-CG2 3.42Å; L345-V348 PolarHBondContact O-N 3.38Å; L345-V348 VanDerWaalsContact O-N 3.11Å; P346-V348 PolarHBondContact O-N 2.71Å; V348-I350 HydrophobicContact CG2-CD1 4.25Å; V348-I350 HydrophobicContact CG2-CG1 4.32Å
349G97Very high97.9Very high64 Ų6447.4 Ų47.466%0.6627%0.273SS*.THydrogen-bonded Turntrans80.116.3173.700000115.1L345 P346L345-G349 PolarHBondContact O-N 2.56Å; P346-G349 PolarHBondContact O-N 2.96Å
350I98Very high97.8Very high2 Ų251.4 Ų51.41%0.0129%0.289CS..  trans-105.9130.9-178.9-58.8178.5000109.7L274 Y278 I280 L345 P346 V348 F355L274-I350 HydrophobicContact CB-CD1 4.45Å; L274-I350 HydrophobicContact CD2-CD1 4.25Å; L274-I350 HydrophobicContact CD2-CG2 4.28Å; Y278-I350 HydrophobicContact CD1-CG1 3.97Å; Y278-I350 HydrophobicContact CD2-CD1 3.77Å; Y278-I350 HydrophobicContact CD2-CG1 3.84Å; Y278-I350 HydrophobicContact CD2-CG2 3.98Å; Y278-I350 HydrophobicContact CE1-CG1 4.47Å; Y278-I350 HydrophobicContact CE2-CG1 4.35Å; Y278-I350 HydrophobicContact CE2-CG2 3.7Å; Y278-I350 HydrophobicContact CG-CD1 3.82Å; Y278-I350 HydrophobicContact CG-CG1 3.62Å; I280-I350 HydrophobicContact CB-CD1 4.37Å; I280-I350 HydrophobicContact CD1-CD1 4.09Å; I280-I350 HydrophobicContact CG2-CD1 4.46Å; L345-I350 CarbonylContact C-O 3.58Å; L345-I350 HydrophobicContact CB-CB 3.98Å; L345-I350 HydrophobicContact CB-CG2 4.16Å; L345-I350 HydrophobicContact CD1-CG2 4.26Å; L345-I350 HydrophobicContact CD2-CB 4.27Å; L345-I350 HydrophobicContact CD2-CD1 4.15Å; L345-I350 HydrophobicContact CD2-CG2 4.25Å; L345-I350 HydrophobicContact CG-CG2 4.45Å; L345-I350 PolarHBondContact O-N 3.33Å; P346-I350 WeakPolarHBondContact CA-O 3.11Å; V348-I350 HydrophobicContact CG2-CD1 4.25Å; V348-I350 HydrophobicContact CG2-CG1 4.32Å; I350-F355 HydrophobicContact CG2-CE1 4.31Å
351N96.4Very high97.7Very high80 Ų8050.5 Ų50.543%0.42827%0.269SS..  trans-122.4-175.9176.367.727.7000110.8E353 F355N351-E353 VanDerWaalsContact C-N 3.27Å; N351-E353 PolarHBondContact O-N 3.3Å; N351-E353 WeakPolarHBondContact OD1-CB 3.44Å; N351-E353 PolarHBondContact OD1-N 3.01Å; N351-F355 WeakPolarHBondContact O-CE1 3.26Å
352E97.4Very high97.6Very high129 Ų12950.1 Ų50.160%0.60327%0.267SS*.G310 helixtrans-74.3-5.9-174.664.6-175.6-163.200115.8K354 F355 L389E352-K354 PolarHBondContact O-N 3.48Å; E352-K354 VanDerWaalsContact O-N 3.08Å; E352-F355 HydrophobicContact CB-CD2 3.76Å; E352-F355 HydrophobicContact CB-CE2 3.83Å; E352-F355 HydrophobicContact CB-CG 4.2Å; E352-F355 HydrophobicContact CB-CZ 4.35Å; E352-F355 WeakPolarHBondContact O-CB 3.48Å; E352-F355 PolarHBondContact O-N 3.04Å; E352-L389 HydrophobicContact CB-CD1 4.26Å
353E97.1Very high97.6Very high141 Ų14149.6 Ų49.666%0.65926%0.262SS*.G310 helixtrans-55.2-36.1-170.1-174-174.3155.600113.2N351N351-E353 VanDerWaalsContact C-N 3.27Å; N351-E353 PolarHBondContact O-N 3.3Å; N351-E353 WeakPolarHBondContact OD1-CB 3.44Å; N351-E353 PolarHBondContact OD1-N 3.01Å
354K96.9Very high97.4Very high53 Ų5354 Ų5423%0.2329%0.286CS..G310 helixtrans-105.38.5-177.1-59.9-56.5-172.3-175.10114.5F277 Y278 E352 D356 E357 M358F277-K354 HydrophobicContact CD1-CB 4.32Å; F277-K354 HydrophobicContact CD1-CD 4.44Å; F277-K354 HydrophobicContact CD1-CG 4.08Å; F277-K354 HydrophobicContact CE1-CD 4.32Å; F277-K354 HydrophobicContact CE1-CG 4.4Å; Y278-K354 HydrophobicContact CE2-CB 4.39Å; Y278-K354 WeakPolarHBondContact OH-CB 3.49Å; Y278-K354 WeakPolarHBondContact OH-CG 3.17Å; E352-K354 PolarHBondContact O-N 3.48Å; E352-K354 VanDerWaalsContact O-N 3.08Å; K354-D356 PolarHBondContact O-N 3.38Å; K354-E357 WeakPolarHBondContact CD-OE1 3.5Å; K354-E357 IonicContact NZ-OE1 2.67Å; K354-E357 PolarHBondContact NZ-OE1 3.22Å; K354-E357 IonicContact NZ-OE2 3.59Å; K354-E357 PolarHBondContact O-N 3.01Å; K354-M358 HydrophobicContact CB-CE 4.23Å; K354-M358 HydrophobicContact CB-CG 4.29Å; K354-M358 HydrophobicContact CB-SD 4.48Å; K354-M358 WeakPolarHBondContact O-CB 3.5Å; K354-M358 VanDerWaalsContact O-CG 3.31Å; K354-M358 WeakPolarHBondContact O-CG 3.42Å; K354-M358 PolarHBondContact O-N 3.21Å
355F98.4Very high97Very high1 Ų155.4 Ų55.40%0.00429%0.291CS..Hα-helixtrans-63.5-39.9-172.7-75.86.3000113.1L345 I350 N351 E352 M358 A359 K382 F385 L389L345-F355 HydrophobicContact CD1-CE1 3.93Å; L345-F355 HydrophobicContact CD1-CZ 3.65Å; I350-F355 HydrophobicContact CG2-CE1 4.31Å; N351-F355 WeakPolarHBondContact O-CE1 3.26Å; E352-F355 HydrophobicContact CB-CD2 3.76Å; E352-F355 HydrophobicContact CB-CE2 3.83Å; E352-F355 HydrophobicContact CB-CG 4.2Å; E352-F355 HydrophobicContact CB-CZ 4.35Å; E352-F355 WeakPolarHBondContact O-CB 3.48Å; E352-F355 PolarHBondContact O-N 3.04Å; F355-M358 HydrophobicContact CD1-CE 3.49Å; F355-M358 VanDerWaalsContact CD1-CE 3.49Å; F355-M358 HydrophobicContact CE1-CE 3.94Å; F355-A359 WeakPolarHBondContact O-CB 3.2Å; F355-A359 PolarHBondContact O-N 3.2Å; F355-K382 HydrophobicContact CB-CG 4.35Å; F355-F385 HydrophobicContact CD1-CB 4.09Å; F355-F385 HydrophobicContact CD1-CD2 4.42Å; F355-F385 HydrophobicContact CD1-CG 4.42Å; F355-F385 HydrophobicContact CD2-CB 3.65Å; F355-F385 HydrophobicContact CE1-CB 4.06Å; F355-F385 VanDerWaalsContact CE2-C 3.44Å; F355-F385 HydrophobicContact CE2-CB 3.64Å; F355-F385 WeakPolarHBondContact CE2-O 3.49Å; F355-F385 HydrophobicContact CG-CB 3.89Å; F355-F385 HydrophobicContact CG-CD2 4.38Å; F355-F385 HydrophobicContact CG-CG 4.49Å; F355-F385 HydrophobicContact CZ-CB 3.85Å; F355-L389 HydrophobicContact CE2-CD1 4.02Å; F355-L389 HydrophobicContact CE2-CD2 3.97Å; F355-L389 HydrophobicContact CE2-CG 3.96Å; F355-L389 HydrophobicContact CZ-CD2 3.72Å; F355-L389 HydrophobicContact CZ-CG 4.16Å
356D98.3Very high96.8Very high97 Ų9757 Ų5752%0.51930%0.303SS..Hα-helixtrans-64.3-44.3176.8-72-51.9000111.9K354 K360 K382K354-D356 PolarHBondContact O-N 3.38Å; D356-K360 WeakPolarHBondContact O-CB 3.49Å; D356-K360 PolarHBondContact O-N 3.38Å; D356-K360 VanDerWaalsContact O-N 3.11Å; D356-K382 VanDerWaalsContact OD1-CD 3.27Å; D356-K382 WeakPolarHBondContact OD1-CD 3.4Å; D356-K382 WeakPolarHBondContact OD1-CE 3.4Å; D356-K382 IonicContact OD1-NZ 3.27Å; D356-K382 PolarHBondContact OD1-NZ 3.17Å; D356-K382 IonicContact OD2-NZ 2.75Å; D356-K382 PolarHBondContact OD2-NZ 2.81Å
357E97.1Very high96.7Very high86 Ų8657.1 Ų57.140%0.40230%0.303SS..Hα-helixtrans-64.6-46.1178.4-64.5178-134.500111.5F277 K354 Q361F277-E357 HydrophobicContact CZ-CB 4.26Å; K354-E357 WeakPolarHBondContact CD-OE1 3.5Å; K354-E357 IonicContact NZ-OE1 2.67Å; K354-E357 PolarHBondContact NZ-OE1 3.22Å; K354-E357 IonicContact NZ-OE2 3.59Å; K354-E357 PolarHBondContact O-N 3.01Å; E357-Q361 WeakPolarHBondContact O-CG 3.49Å; E357-Q361 PolarHBondContact O-N 2.72Å
358M97.4Very high96.6Very high0 Ų051.9 Ų51.90%028%0.278CS..Hα-helixtrans-67-41.5178.6-70-170.3-58.100111.9E273 L274 F277 Y278 K354 F355 K360 Q361 A362 F385E273-M358 HydrophobicContact CB-CB 3.77Å; E273-M358 HydrophobicContact CB-CG 3.86Å; E273-M358 HydrophobicContact CB-SD 4.23Å; L274-M358 HydrophobicContact CD2-CE 3.82Å; L274-M358 HydrophobicContact CD2-SD 3.95Å; F277-M358 HydrophobicContact CB-SD 4.22Å; F277-M358 HydrophobicContact CD2-CG 3.54Å; F277-M358 HydrophobicContact CD2-SD 4.03Å; F277-M358 HydrophobicContact CE2-CG 3.72Å; F277-M358 HydrophobicContact CG-CG 4.16Å; F277-M358 HydrophobicContact CG-SD 4.28Å; F277-M358 HydrophobicContact CZ-CG 4.45Å; Y278-M358 HydrophobicContact CD2-SD 4.36Å; Y278-M358 HydrophobicContact CE2-CE 4.07Å; Y278-M358 HydrophobicContact CE2-SD 3.9Å; K354-M358 HydrophobicContact CB-CE 4.23Å; K354-M358 HydrophobicContact CB-CG 4.29Å; K354-M358 HydrophobicContact CB-SD 4.48Å; K354-M358 WeakPolarHBondContact O-CB 3.5Å; K354-M358 VanDerWaalsContact O-CG 3.31Å; K354-M358 WeakPolarHBondContact O-CG 3.42Å; K354-M358 PolarHBondContact O-N 3.21Å; F355-M358 HydrophobicContact CD1-CE 3.49Å; F355-M358 VanDerWaalsContact CD1-CE 3.49Å; F355-M358 HydrophobicContact CE1-CE 3.94Å; M358-K360 VanDerWaalsContact C-N 3.35Å; M358-K360 PolarHBondContact O-N 3.36Å; M358-Q361 PolarHBondContact O-N 2.81Å; M358-A362 WeakPolarHBondContact O-CB 3.42Å; M358-A362 PolarHBondContact O-N 3.4Å; M358-F385 HydrophobicContact CB-CE2 3.81Å; M358-F385 HydrophobicContact CB-CZ 4.32Å; M358-F385 HydrophobicContact CE-CE2 4.39Å
359A98.2Very high96.6Very high1 Ų155.5 Ų55.51%0.00829%0.29CS..Hα-helixtrans-61.2-45.7178.100000111.2F355 A362 I363 E378 V381 K382F355-A359 WeakPolarHBondContact O-CB 3.2Å; F355-A359 PolarHBondContact O-N 3.2Å; A359-A362 PolarHBondContact O-N 3.23Å; A359-I363 WeakPolarHBondContact O-CG1 3.45Å; A359-I363 PolarHBondContact O-N 3.45Å; A359-E378 WeakPolarHBondContact CB-O 3.49Å; A359-V381 HydrophobicContact CB-CB 3.99Å; A359-V381 HydrophobicContact CB-CG1 3.82Å; A359-K382 HydrophobicContact CB-CB 4.26Å
360K97.6Very high96.6Very high98 Ų9857 Ų5743%0.42629%0.287SS..Hα-helixtrans-59.9-47.1174.6-174.8-178.4-179.3-610112.3D356 M358 I363 D364D356-K360 WeakPolarHBondContact O-CB 3.49Å; D356-K360 PolarHBondContact O-N 3.38Å; D356-K360 VanDerWaalsContact O-N 3.11Å; M358-K360 VanDerWaalsContact C-N 3.35Å; M358-K360 PolarHBondContact O-N 3.36Å; K360-I363 PolarHBondContact O-N 2.94Å; K360-D364 IonicContact NZ-OD1 3.69Å; K360-D364 IonicContact NZ-OD2 2.72Å; K360-D364 PolarHBondContact NZ-OD2 3.4Å; K360-D364 PolarHBondContact O-N 2.87Å
361Q95.7Very high96.4Very high38 Ų3860.9 Ų60.918%0.17831%0.308CS..Hα-helixtrans-65.7-38.6-179.8-74.7-169.655.100112.9E273 F277 E357 M358 I363 D364 H365E273-Q361 VanDerWaalsContact CD-CB 3.48Å; E273-Q361 HydrophobicContact CG-CB 4.27Å; E273-Q361 WeakPolarHBondContact OE2-CB 3.41Å; E273-Q361 PolarHBondContact OE2-OE1 3Å; F277-Q361 VanDerWaalsContact CZ-NE2 3.35Å; E357-Q361 WeakPolarHBondContact O-CG 3.49Å; E357-Q361 PolarHBondContact O-N 2.72Å; M358-Q361 PolarHBondContact O-N 2.81Å; Q361-I363 PolarHBondContact O-N 2.94Å; Q361-D364 PolarHBondContact O-N 3.27Å; Q361-H365 VanDerWaalsContact O-CB 3.3Å; Q361-H365 WeakPolarHBondContact O-CB 3.42Å; Q361-H365 VanDerWaalsContact O-CG 3.25Å; Q361-H365 PolarHBondContact O-N 3.05Å; Q361-H365 PolarHBondContact O-ND1 2.94Å; Q361-H365 PolarHBondContact OE1-CE1 3.32Å
362A96.6Very high96.4Very high1 Ų157.5 Ų57.51%0.00829%0.291CS..Hα-helixtrans-57.2-37.7174.400000111.6E273 M358 A359 S366 I368 V381E273-A362 HydrophobicContact CG-CB 3.95Å; M358-A362 WeakPolarHBondContact O-CB 3.42Å; M358-A362 PolarHBondContact O-N 3.4Å; A359-A362 PolarHBondContact O-N 3.23Å; A362-S366 WeakPolarHBondContact O-CB 3.47Å; A362-S366 PolarHBondContact O-OG 3.03Å; A362-I368 HydrophobicContact CB-CD1 4.33Å; A362-V381 HydrophobicContact CB-CG1 4.29Å
363I97Very high96.4Very high19 Ų1951.8 Ų51.810%0.09726%0.264CS..Hα-helixtrans-72.1-50.8173.8-58-47.9000111.4A359 K360 Q361 H365 S366 I368 K369 L376 E378 V381A359-I363 WeakPolarHBondContact O-CG1 3.45Å; A359-I363 PolarHBondContact O-N 3.45Å; K360-I363 PolarHBondContact O-N 2.94Å; Q361-I363 PolarHBondContact O-N 2.94Å; I363-H365 PolarHBondContact O-N 2.92Å; I363-S366 PolarHBondContact O-N 3.16Å; I363-S366 VanDerWaalsContact O-O 3.1Å; I363-I368 HydrophobicContact CD1-CD1 3.86Å; I363-I368 HydrophobicContact CD1-CG1 3.59Å; I363-K369 HydrophobicContact CD1-CB 4.41Å; I363-K369 HydrophobicContact CG2-CB 4.16Å; I363-K369 HydrophobicContact CG2-CD 4.02Å; I363-L376 WeakPolarHBondContact CD1-O 3.46Å; I363-E378 HydrophobicContact CB-CG 4.34Å; I363-E378 HydrophobicContact CG1-CG 3.7Å; I363-V381 HydrophobicContact CD1-CG2 4.04Å
364D94.9Very high96.5Very high93 Ų9345.9 Ų45.950%0.49724%0.237SC..Hα-helixtrans-61.5-31.9-175.6-73.6-21.2000113.1K360 Q361K360-D364 IonicContact NZ-OD1 3.69Å; K360-D364 IonicContact NZ-OD2 2.72Å; K360-D364 PolarHBondContact NZ-OD2 3.4Å; K360-D364 PolarHBondContact O-N 2.87Å; Q361-D364 PolarHBondContact O-N 3.27Å
365H91Very high96.5Very high42 Ų4246.7 Ų46.719%0.19425%0.248CC..THydrogen-bonded Turntrans-96.32.4-174.8-59.3148.2000114.2R124 Q160 L162 E273 Q361 I363R124-H365 PolarHBondContact NH2-O 3.09Å; Q160-H365 PolarHBondContact NE2-NE2 3.32Å; L162-H365 HydrophobicContact CD2-CB 4.09Å; E273-H365 IonicContact OE1-ND1 3.93Å; E273-H365 PolarHBondContact OE1-ND1 3.48Å; Q361-H365 VanDerWaalsContact O-CB 3.3Å; Q361-H365 WeakPolarHBondContact O-CB 3.42Å; Q361-H365 VanDerWaalsContact O-CG 3.25Å; Q361-H365 PolarHBondContact O-N 3.05Å; Q361-H365 PolarHBondContact O-ND1 2.94Å; Q361-H365 PolarHBondContact OE1-CE1 3.32Å; I363-H365 PolarHBondContact O-N 2.92Å
366S94.5Very high96.5Very high34 Ų3446.7 Ų46.724%0.23825%0.248CC..SBendtrans-143.8-171.2-176.581.70000112.5A362 I363 I368A362-S366 WeakPolarHBondContact O-CB 3.47Å; A362-S366 PolarHBondContact O-OG 3.03Å; I363-S366 PolarHBondContact O-N 3.16Å; I363-S366 VanDerWaalsContact O-O 3.1Å; S366-I368 WeakPolarHBondContact OG-CG1 3.46Å; S366-I368 WeakPolarHBondContact OG-CG2 3.22Å; S366-I368 PolarHBondContact OG-N 2.8Å
367T95.1Very high96.5Very high69 Ų6945.6 Ų45.642%0.42324%0.242SC..  trans-120.623.8173.163.40000112.3K369 T370 D371T367-K369 PolarHBondContact O-N 3.14Å; T367-K369 VanDerWaalsContact O-N 3.13Å; T367-T370 PolarHBondContact O-N 3.42Å; T367-T370 PolarHBondContact O-OG1 3.32Å; T367-D371 VanDerWaalsContact CB-OD2 3.3Å; T367-D371 WeakPolarHBondContact CB-OD2 3.42Å; T367-D371 PolarHBondContact O-N 2.96Å; T367-D371 PolarHBondContact OG1-OD2 3.11Å
368I97.1Very high96.6Very high0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-63.8-20.8-177.365.2-175000113.7A264 W265 P269 M270 A362 I363 S366 T370 A372 P375 L376 V381A264-I368 HydrophobicContact CB-CG2 3.95Å; W265-I368 WeakPolarHBondContact O-CG2 3.48Å; P269-I368 HydrophobicContact CB-CD1 4.38Å; P269-I368 HydrophobicContact CB-CG2 4.32Å; P269-I368 HydrophobicContact CG-CG2 3.87Å; M270-I368 HydrophobicContact CG-CD1 4.43Å; A362-I368 HydrophobicContact CB-CD1 4.33Å; I363-I368 HydrophobicContact CD1-CD1 3.86Å; I363-I368 HydrophobicContact CD1-CG1 3.59Å; S366-I368 WeakPolarHBondContact OG-CG1 3.46Å; S366-I368 WeakPolarHBondContact OG-CG2 3.22Å; S366-I368 PolarHBondContact OG-N 2.8Å; I368-T370 VanDerWaalsContact C-N 3.27Å; I368-T370 PolarHBondContact O-N 3.21Å; I368-A372 HydrophobicContact CB-CB 4.17Å; I368-A372 VanDerWaalsContact O-CB 3.3Å; I368-A372 WeakPolarHBondContact O-CB 3.38Å; I368-P375 WeakPolarHBondContact O-CA 3.41Å; I368-L376 HydrophobicContact CD1-CB 4.39Å; I368-L376 HydrophobicContact CD1-CD1 4.46Å; I368-L376 HydrophobicContact CG1-CB 4.31Å; I368-L376 PolarHBondContact O-N 3.08Å; I368-V381 HydrophobicContact CD1-CG2 3.99Å
369K97.4Very high96.6Very high117 Ų11748.7 Ų48.751%0.50927%0.268SS..Hα-helixtrans-69.3-20.5173.7-173.3171.8179.7174.40114.2I363 T367 P375 L376I363-K369 HydrophobicContact CD1-CB 4.41Å; I363-K369 HydrophobicContact CG2-CB 4.16Å; I363-K369 HydrophobicContact CG2-CD 4.02Å; T367-K369 PolarHBondContact O-N 3.14Å; T367-K369 VanDerWaalsContact O-N 3.13Å; K369-P375 WeakPolarHBondContact O-CB 3.32Å; K369-L376 WeakPolarHBondContact CA-O 3.17Å; K369-L376 WeakPolarHBondContact CB-O 3.48Å; K369-L376 PolarHBondContact N-O 3.15Å
370T95.6Very high96.7Very high97 Ų9748.8 Ų48.860%0.59527%0.268SS*.Hα-helixtrans-126.9-33.6-174.859.90000113.5T367 I368T367-T370 PolarHBondContact O-N 3.42Å; T367-T370 PolarHBondContact O-OG1 3.32Å; I368-T370 VanDerWaalsContact C-N 3.27Å; I368-T370 PolarHBondContact O-N 3.21Å
371D95Very high96.7Very high82 Ų8244.1 Ų44.144%0.43925%0.248SC..Hα-helixtrans-117.91.5-165.1-52.4-15.3000113.3G263 A264 T367G263-D371 CarbonylContact C-O 3.57Å; G263-D371 WeakPolarHBondContact CA-O 3.47Å; A264-D371 HydrophobicContact CB-CB 4.14Å; A264-D371 PolarHBondContact N-O 3.37Å; T367-D371 VanDerWaalsContact CB-OD2 3.3Å; T367-D371 WeakPolarHBondContact CB-OD2 3.42Å; T367-D371 PolarHBondContact O-N 2.96Å; T367-D371 PolarHBondContact OG1-OD2 3.11Å
372A96.9Very high96.9Very high9 Ų945.8 Ų45.87%0.07426%0.255CS..SBendtrans-72.5164.4176.800000112A264 I368 V374A264-A372 HydrophobicContact CB-CB 4.43Å; I368-A372 HydrophobicContact CB-CB 4.17Å; I368-A372 VanDerWaalsContact O-CB 3.3Å; I368-A372 WeakPolarHBondContact O-CB 3.38Å; A372-V374 VanDerWaalsContact C-N 3.25Å; A372-V374 WeakPolarHBondContact CB-O 3.46Å; A372-V374 PolarHBondContact O-N 3.19Å
373F97.6Very high96.9Very high9 Ų951.3 Ų51.34%0.03928%0.281CS..SBendtrans-53.6-44.1176.5179-119.2000112.6F205 R207 W293 A297 T302 K305 F306F205-F373 HydrophobicContact CB-CD1 4.06Å; F205-F373 HydrophobicContact CB-CD2 4.43Å; F205-F373 HydrophobicContact CB-CE1 4.38Å; F205-F373 HydrophobicContact CB-CG 4.09Å; F205-F373 HydrophobicContact CD1-CD1 4.28Å; F205-F373 AromaticContact CD1-CE1 3.81Å; F205-F373 HydrophobicContact CD1-CE1 3.81Å; F205-F373 HydrophobicContact CD1-CZ 4.05Å; F205-F373 WeakPolarHBondContact O-CB 3.37Å; R207-F373 HydrophobicContact CG-CD2 4.03Å; R207-F373 HydrophobicContact CG-CE2 4.43Å; R207-F373 PolarHBondContact NE-O 3.27Å; W293-F373 HydrophobicContact CH2-CD1 4.46Å; W293-F373 HydrophobicContact CZ2-CB 4.29Å; W293-F373 HydrophobicContact CZ2-CD1 4.26Å; A297-F373 HydrophobicContact CB-CD1 4.44Å; T302-F373 HydrophobicContact CG2-CD1 4.43Å; T302-F373 HydrophobicContact CG2-CE1 3.63Å; T302-F373 HydrophobicContact CG2-CE2 4.44Å; T302-F373 HydrophobicContact CG2-CZ 3.63Å; K305-F373 HydrophobicContact CB-CZ 4.15Å; K305-F373 HydrophobicContact CG-CZ 4.45Å; F306-F373 AromaticContact CE2-CE1 3.8Å; F306-F373 HydrophobicContact CE2-CE1 3.8Å; F306-F373 HydrophobicContact CZ-CE1 4.22Å
374V98.1Very high97Very high17 Ų1750.5 Ų50.510%0.10328%0.276CS..SBendtrans-124.5121.4162.21750000106Y296 A297 T302 A372 L376Y296-V374 HydrophobicContact CE1-CG1 4.39Å; A297-V374 HydrophobicContact CB-CB 4.13Å; A297-V374 HydrophobicContact CB-CG2 3.81Å; T302-V374 HydrophobicContact CG2-CG2 3.72Å; A372-V374 VanDerWaalsContact C-N 3.25Å; A372-V374 WeakPolarHBondContact CB-O 3.46Å; A372-V374 PolarHBondContact O-N 3.19Å; V374-L376 PolarHBondContact O-N 3.44Å
375P97.7Very high97.2Very high71 Ų7146 Ų4646%0.46125%0.253SS..  trans-53.6134.1178-30.837.9000112.9I368 K369I368-P375 WeakPolarHBondContact O-CA 3.41Å; K369-P375 WeakPolarHBondContact O-CB 3.32Å
376L98.4Very high97.6Very high0 Ų047 Ų470%026%0.261CS..  trans-117.1120178.6-56.8178.6000109.7M270 Y296 I363 I368 K369 V374 A380 V381 I384M270-L376 HydrophobicContact CE-CD1 4.13Å; M270-L376 HydrophobicContact SD-CD1 4.2Å; Y296-L376 HydrophobicContact CD1-CD2 3.63Å; Y296-L376 HydrophobicContact CE1-CD2 3.41Å; Y296-L376 VanDerWaalsContact CE1-CD2 3.41Å; I363-L376 WeakPolarHBondContact CD1-O 3.46Å; I368-L376 HydrophobicContact CD1-CB 4.39Å; I368-L376 HydrophobicContact CD1-CD1 4.46Å; I368-L376 HydrophobicContact CG1-CB 4.31Å; I368-L376 PolarHBondContact O-N 3.08Å; K369-L376 WeakPolarHBondContact CA-O 3.17Å; K369-L376 WeakPolarHBondContact CB-O 3.48Å; K369-L376 PolarHBondContact N-O 3.15Å; V374-L376 PolarHBondContact O-N 3.44Å; L376-A380 HydrophobicContact CB-CB 4.2Å; L376-A380 HydrophobicContact CD2-CB 3.98Å; L376-V381 HydrophobicContact CB-CG2 4.05Å; L376-I384 HydrophobicContact CD1-CD1 4.17Å; L376-I384 HydrophobicContact CD2-CD1 4.08Å
377D98.2Very high97.8Very high74 Ų7447.2 Ų47.240%0.39627%0.265SS..  trans-91.4-178.3165.86910.9000111.2A379 A380 V381D377-A379 PolarHBondContact O-N 3.46Å; D377-A379 WeakPolarHBondContact OD1-CB 3.48Å; D377-A379 PolarHBondContact OD1-N 2.8Å; D377-A379 VanDerWaalsContact OD1-N 3.12Å; D377-A380 WeakPolarHBondContact O-CB 3.42Å; D377-A380 PolarHBondContact O-N 2.96Å; D377-A380 WeakPolarHBondContact OD1-CB 3.46Å; D377-A380 PolarHBondContact OD1-N 2.92Å; D377-V381 WeakPolarHBondContact O-CG2 3.43Å; D377-V381 PolarHBondContact O-N 2.84Å
378E98.2Very high98Very high87 Ų8743.9 Ų43.941%0.40725%0.245SC..Hα-helixtrans-59.8-36.1-179-61.8178.1-145.400112.1A359 I363 K382A359-E378 WeakPolarHBondContact CB-O 3.49Å; I363-E378 HydrophobicContact CB-CG 4.34Å; I363-E378 HydrophobicContact CG1-CG 3.7Å; E378-K382 WeakPolarHBondContact O-CB 3.49Å; E378-K382 PolarHBondContact O-N 3.41Å
379A98.4Very high98Very high65 Ų6545.7 Ų45.754%0.53726%0.255SS..Hα-helixtrans-68.3-43.5178.700000111D377 K382 E383D377-A379 PolarHBondContact O-N 3.46Å; D377-A379 WeakPolarHBondContact OD1-CB 3.48Å; D377-A379 PolarHBondContact OD1-N 2.8Å; D377-A379 VanDerWaalsContact OD1-N 3.12Å; A379-K382 PolarHBondContact O-N 3.11Å; A379-E383 WeakPolarHBondContact O-CB 3.23Å; A379-E383 PolarHBondContact O-N 3.16Å
380A98.6Very high98.1Very high2 Ų244.5 Ų44.52%0.01726%0.257CS..Hα-helixtrans-60.4-45.8175.500000112.3Y296 L376 D377 K382 E383 I384Y296-A380 HydrophobicContact CE1-CB 3.96Å; Y296-A380 HydrophobicContact CE2-CB 4.06Å; Y296-A380 VanDerWaalsContact CZ-CB 3.47Å; Y296-A380 WeakPolarHBondContact OH-CB 3.3Å; L376-A380 HydrophobicContact CB-CB 4.2Å; L376-A380 HydrophobicContact CD2-CB 3.98Å; D377-A380 WeakPolarHBondContact O-CB 3.42Å; D377-A380 PolarHBondContact O-N 2.96Å; D377-A380 WeakPolarHBondContact OD1-CB 3.46Å; D377-A380 PolarHBondContact OD1-N 2.92Å; A380-K382 VanDerWaalsContact C-N 3.35Å; A380-K382 PolarHBondContact O-N 2.87Å; A380-E383 PolarHBondContact O-N 3.28Å; A380-I384 WeakPolarHBondContact O-CG1 2.99Å; A380-I384 PolarHBondContact O-N 2.87Å
381V98.8Very high98.2Very high0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-62.5-43.8177.21740000110.7M270 A359 A362 I363 I368 L376 D377 E383 I384 F385M270-V381 HydrophobicContact CG-CG1 3.81Å; M270-V381 HydrophobicContact CG-CG2 4.18Å; M270-V381 HydrophobicContact SD-CB 4.24Å; M270-V381 HydrophobicContact SD-CG1 3.83Å; M270-V381 HydrophobicContact SD-CG2 4Å; A359-V381 HydrophobicContact CB-CB 3.99Å; A359-V381 HydrophobicContact CB-CG1 3.82Å; A362-V381 HydrophobicContact CB-CG1 4.29Å; I363-V381 HydrophobicContact CD1-CG2 4.04Å; I368-V381 HydrophobicContact CD1-CG2 3.99Å; L376-V381 HydrophobicContact CB-CG2 4.05Å; D377-V381 WeakPolarHBondContact O-CG2 3.43Å; D377-V381 PolarHBondContact O-N 2.84Å; V381-E383 PolarHBondContact O-N 2.85Å; V381-I384 PolarHBondContact O-N 3.4Å; V381-F385 HydrophobicContact CG1-CD2 3.9Å; V381-F385 HydrophobicContact CG1-CE2 3.45Å; V381-F385 VanDerWaalsContact CG1-CE2 3.45Å; V381-F385 HydrophobicContact CG1-CZ 3.94Å; V381-F385 WeakPolarHBondContact O-CD2 3.18Å; V381-F385 PolarHBondContact O-N 3.15Å
382K98.6Very high98.2Very high73 Ų7341.3 Ų41.332%0.31724%0.236SC..Hα-helixtrans-63-39.9175.8-177.9175.1-173.8171.30112.4F355 D356 A359 E378 A379 A380 F385 T386F355-K382 HydrophobicContact CB-CG 4.35Å; D356-K382 VanDerWaalsContact OD1-CD 3.27Å; D356-K382 WeakPolarHBondContact OD1-CD 3.4Å; D356-K382 WeakPolarHBondContact OD1-CE 3.4Å; D356-K382 IonicContact OD1-NZ 3.27Å; D356-K382 PolarHBondContact OD1-NZ 3.17Å; D356-K382 IonicContact OD2-NZ 2.75Å; D356-K382 PolarHBondContact OD2-NZ 2.81Å; A359-K382 HydrophobicContact CB-CB 4.26Å; E378-K382 WeakPolarHBondContact O-CB 3.49Å; E378-K382 PolarHBondContact O-N 3.41Å; A379-K382 PolarHBondContact O-N 3.11Å; A380-K382 VanDerWaalsContact C-N 3.35Å; A380-K382 PolarHBondContact O-N 2.87Å; K382-F385 PolarHBondContact O-N 3.08Å; K382-T386 WeakPolarHBondContact O-CB 3.34Å; K382-T386 PolarHBondContact O-N 2.91Å; K382-T386 PolarHBondContact O-OG1 3.38Å
383E98.6Very high98.2Very high117 Ų11745.2 Ų45.255%0.54726%0.262SS..Hα-helixtrans-61-45.7176.2-175.2177.5162.100110.9A379 A380 V381 F385 T386 A387A379-E383 WeakPolarHBondContact O-CB 3.23Å; A379-E383 PolarHBondContact O-N 3.16Å; A380-E383 PolarHBondContact O-N 3.28Å; V381-E383 PolarHBondContact O-N 2.85Å; E383-F385 PolarHBondContact O-N 3.45Å; E383-T386 WeakPolarHBondContact O-CB 3.28Å; E383-T386 PolarHBondContact O-N 3.4Å; E383-A387 WeakPolarHBondContact O-CB 3.3Å; E383-A387 PolarHBondContact O-N 2.92Å
384I98.8Very high98Very high2 Ų245.1 Ų45.11%0.0126%0.262CS..Hα-helixtrans-61.7-45.8175.9-66.7165.7000110.9M270 L289 R292 W293 Y296 L376 A380 V381 T386 A387 C388M270-I384 HydrophobicContact CE-CD1 4.12Å; M270-I384 HydrophobicContact CE-CG2 4.24Å; M270-I384 HydrophobicContact SD-CB 4.45Å; M270-I384 HydrophobicContact SD-CD1 4.12Å; M270-I384 HydrophobicContact SD-CG2 4.28Å; L289-I384 HydrophobicContact CD2-CG2 4.15Å; R292-I384 HydrophobicContact CB-CG2 4.37Å; W293-I384 HydrophobicContact CB-CD1 4.34Å; Y296-I384 HydrophobicContact CD1-CD1 4.22Å; Y296-I384 HydrophobicContact CD2-CG1 4.34Å; Y296-I384 HydrophobicContact CG-CD1 4.08Å; Y296-I384 HydrophobicContact CG-CG1 4.1Å; L376-I384 HydrophobicContact CD1-CD1 4.17Å; L376-I384 HydrophobicContact CD2-CD1 4.08Å; A380-I384 WeakPolarHBondContact O-CG1 2.99Å; A380-I384 PolarHBondContact O-N 2.87Å; V381-I384 PolarHBondContact O-N 3.4Å; I384-T386 VanDerWaalsContact C-N 3.31Å; I384-T386 PolarHBondContact O-N 2.95Å; I384-A387 PolarHBondContact O-N 3.36Å; I384-C388 PolarHBondContact O-N 3.43Å; I384-C388 PolarHBondContact O-SG 3.33Å
385F98.8Very high97Very high0 Ų052.3 Ų52.30%030%0.295CS..Hα-helixtrans-60.1-41.3174.6-71.6-36.9000112.4M270 L274 L289 F355 M358 V381 K382 E383 A387 C388M270-F385 HydrophobicContact CB-CE1 4.05Å; M270-F385 HydrophobicContact CB-CZ 4Å; L274-F385 HydrophobicContact CD1-CE1 4.24Å; L274-F385 HydrophobicContact CD2-CD1 4.35Å; L274-F385 HydrophobicContact CD2-CE1 3.97Å; L274-F385 HydrophobicContact CD2-CZ 4.49Å; L274-F385 HydrophobicContact CG-CE1 4.01Å; L289-F385 HydrophobicContact CD2-CD1 3.7Å; L289-F385 HydrophobicContact CD2-CE1 3.73Å; F355-F385 HydrophobicContact CD1-CB 4.09Å; F355-F385 HydrophobicContact CD1-CD2 4.42Å; F355-F385 HydrophobicContact CD1-CG 4.42Å; F355-F385 HydrophobicContact CD2-CB 3.65Å; F355-F385 HydrophobicContact CE1-CB 4.06Å; F355-F385 VanDerWaalsContact CE2-C 3.44Å; F355-F385 HydrophobicContact CE2-CB 3.64Å; F355-F385 WeakPolarHBondContact CE2-O 3.49Å; F355-F385 HydrophobicContact CG-CB 3.89Å; F355-F385 HydrophobicContact CG-CD2 4.38Å; F355-F385 HydrophobicContact CG-CG 4.49Å; F355-F385 HydrophobicContact CZ-CB 3.85Å; M358-F385 HydrophobicContact CB-CE2 3.81Å; M358-F385 HydrophobicContact CB-CZ 4.32Å; M358-F385 HydrophobicContact CE-CE2 4.39Å; V381-F385 HydrophobicContact CG1-CD2 3.9Å; V381-F385 HydrophobicContact CG1-CE2 3.45Å; V381-F385 VanDerWaalsContact CG1-CE2 3.45Å; V381-F385 HydrophobicContact CG1-CZ 3.94Å; V381-F385 WeakPolarHBondContact O-CD2 3.18Å; V381-F385 PolarHBondContact O-N 3.15Å; K382-F385 PolarHBondContact O-N 3.08Å; E383-F385 PolarHBondContact O-N 3.45Å; F385-A387 PolarHBondContact O-N 3Å; F385-C388 WeakPolarHBondContact O-CA 3.24Å; F385-C388 VanDerWaalsContact O-CB 3.29Å; F385-C388 WeakPolarHBondContact O-CB 3.47Å; F385-C388 PolarHBondContact O-N 2.87Å
386T98.7Very high97Very high61 Ų6151.4 Ų51.437%0.37429%0.286SS..Hα-helixtrans-63.5-42.2177.9-55.20000111.1K382 E383 I384 C388 L389K382-T386 WeakPolarHBondContact O-CB 3.34Å; K382-T386 PolarHBondContact O-N 2.91Å; K382-T386 PolarHBondContact O-OG1 3.38Å; E383-T386 WeakPolarHBondContact O-CB 3.28Å; E383-T386 PolarHBondContact O-N 3.4Å; I384-T386 VanDerWaalsContact C-N 3.31Å; I384-T386 PolarHBondContact O-N 2.95Å; T386-C388 PolarHBondContact O-N 3.35Å; T386-L389 HydrophobicContact CG2-CD1 4.26Å; T386-L389 VanDerWaalsContact O-CB 3.29Å; T386-L389 WeakPolarHBondContact O-CB 3.27Å; T386-L389 WeakPolarHBondContact O-CG 3.24Å; T386-L389 PolarHBondContact O-N 3.46Å
387A98.7Very high96.9Very high39 Ų3954.1 Ų54.132%0.32230%0.301SS..Hα-helixtrans-63.4-20.5174.500000113.1R292 E383 I384 F385 L389R292-A387 HydrophobicContact CB-CB 4.27Å; R292-A387 HydrophobicContact CG-CB 4.03Å; R292-A387 PolarHBondContact NE-O 3.22Å; R292-A387 VanDerWaalsContact NE-O 3.11Å; E383-A387 WeakPolarHBondContact O-CB 3.3Å; E383-A387 PolarHBondContact O-N 2.92Å; I384-A387 PolarHBondContact O-N 3.36Å; F385-A387 PolarHBondContact O-N 3Å; A387-L389 VanDerWaalsContact C-N 3.32Å
388C98.7Very high96.8Very high0 Ų053 Ų530%030%0.296CS..THydrogen-bonded Turntrans-81.4-4.7174.2-58.90000113.9I288 R292 T344 L345 I384 F385 T386 T390I288-C388 HydrophobicContact CG2-CB 3.72Å; R292-C388 WeakPolarHBondContact CD-SG 3.31Å; T344-C388 CarbonylContact C-O 3.49Å; T344-C388 VanDerWaalsContact CA-O 3.3Å; T344-C388 WeakPolarHBondContact CA-O 3.34Å; L345-C388 HydrophobicContact CD1-CB 3.67Å; L345-C388 HydrophobicContact CG-CB 3.69Å; L345-C388 PolarHBondContact N-O 2.95Å; I384-C388 PolarHBondContact O-N 3.43Å; I384-C388 PolarHBondContact O-SG 3.33Å; F385-C388 WeakPolarHBondContact O-CA 3.24Å; F385-C388 VanDerWaalsContact O-CB 3.29Å; F385-C388 WeakPolarHBondContact O-CB 3.47Å; F385-C388 PolarHBondContact O-N 2.87Å; T386-C388 PolarHBondContact O-N 3.35Å; C388-T390 VanDerWaalsContact C-N 3.29Å
389L98.7Very high96.8Very high38 Ų3851 Ų5120%0.19929%0.289CS..THydrogen-bonded Turntrans-73.8-21.7177.7-66.6174.2000113P346 E352 F355 T386 A387P346-L389 HydrophobicContact CG-CD2 4.16Å; E352-L389 HydrophobicContact CB-CD1 4.26Å; F355-L389 HydrophobicContact CE2-CD1 4.02Å; F355-L389 HydrophobicContact CE2-CD2 3.97Å; F355-L389 HydrophobicContact CE2-CG 3.96Å; F355-L389 HydrophobicContact CZ-CD2 3.72Å; F355-L389 HydrophobicContact CZ-CG 4.16Å; T386-L389 HydrophobicContact CG2-CD1 4.26Å; T386-L389 VanDerWaalsContact O-CB 3.29Å; T386-L389 WeakPolarHBondContact O-CB 3.27Å; T386-L389 WeakPolarHBondContact O-CG 3.24Å; T386-L389 PolarHBondContact O-N 3.46Å; A387-L389 VanDerWaalsContact C-N 3.32Å
390T98.2Very high96.6Very high92 Ų9250.1 Ų50.156%0.56427%0.274SS*.SBendtrans-130.2161-178.560.60000111.4R292 T344 C388R292-T390 PolarHBondContact NH2-O 3.31Å; T344-T390 VanDerWaalsContact CG2-C 3.44Å; C388-T390 VanDerWaalsContact C-N 3.29Å
391E97.7Very high96.5Very high86 Ų8653.3 Ų53.340%0.40229%0.291SS..  trans-55.6145.6167.3-70.5-80.5154.800110.1Y333 K337 T344Y333-E391 PolarHBondContact OH-OE2 2.73Å; K337-E391 IonicContact NZ-OE1 2.81Å; K337-E391 IonicContact NZ-OE2 3.17Å; K337-E391 PolarHBondContact NZ-OE2 3.09Å; T344-E391 HydrophobicContact CG2-CG 4.22Å
392S96.6Very high96.4Very high26 Ų2657.1 Ų57.118%0.18231%0.312CS..  trans-122.1151.5-179.8-56.70000110.5R292 Y333R292-S392 PolarHBondContact NE-OG 3.47Å; R292-S392 PolarHBondContact NH2-OG 3.26Å; Y333-S392 PolarHBondContact OH-N 2.81Å
393S95.6Very high96.2Very high90 Ų9055.9 Ų55.963%0.62931%0.312SS*.  trans-134.2143.7166.4-177.80000107.7Q330Q330-S393 PolarHBondContact OE1-OG 3.31Å
394F94.5Very high96Very high8 Ų850.8 Ų50.84%0.03529%0.292CS..  trans-118.3-5-169.5-54.1-81.6000113.1P291 R292 E295 R326 I329 Q330 Y333P291-F394 HydrophobicContact CB-CE2 3.84Å; P291-F394 HydrophobicContact CB-CZ 3.68Å; P291-F394 WeakPolarHBondContact O-CE1 3.34Å; R292-F394 HydrophobicContact CG-CZ 4.27Å; E295-F394 HydrophobicContact CB-CD1 3.69Å; E295-F394 HydrophobicContact CB-CE1 3.66Å; E295-F394 HydrophobicContact CG-CD1 3.99Å; E295-F394 HydrophobicContact CG-CE1 4.24Å; R326-F394 VanDerWaalsContact CB-O 3.24Å; R326-F394 WeakPolarHBondContact CB-O 3.48Å; R326-F394 WeakPolarHBondContact CD-O 3.19Å; R326-F394 VanDerWaalsContact CG-O 3.28Å; R326-F394 WeakPolarHBondContact CG-O 3.49Å; R326-F394 PolarHBondContact NH1-O 2.84Å; R326-F394 VanDerWaalsContact NH1-O 3.16Å; I329-F394 HydrophobicContact CB-CB 4.26Å; I329-F394 HydrophobicContact CB-CG 4.26Å; I329-F394 HydrophobicContact CG2-CB 4.08Å; I329-F394 HydrophobicContact CG2-CD1 3.7Å; I329-F394 HydrophobicContact CG2-CD2 3.75Å; I329-F394 HydrophobicContact CG2-CE1 4.01Å; I329-F394 HydrophobicContact CG2-CE2 4.07Å; I329-F394 HydrophobicContact CG2-CG 3.54Å; I329-F394 HydrophobicContact CG2-CZ 4.18Å; Q330-F394 HydrophobicContact CB-CB 4.46Å; Y333-F394 AromaticContact CD2-CE2 3.66Å; Y333-F394 HydrophobicContact CD2-CE2 3.66Å; Y333-F394 HydrophobicContact CD2-CZ 4.28Å; Y333-F394 HydrophobicContact CE2-CE2 4.38Å; Y333-F394 AromaticContact CG-CE2 3.86Å; Y333-F394 HydrophobicContact CG-CE2 3.86Å
395E76.7Confident95.7Very high168 Ų16855.3 Ų55.379%0.78532%0.318SS*.  trans-80.30-178.7-68-173.2165.900114.3Q330Q330-E395 HydrophobicContact CB-CG 3.88Å; Q330-E395 HydrophobicContact CG-CG 3.82Å

Retrieved 395 of 395 residues in 283.9 ms (Link to these results)

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