A0A077YWW7_TRITR Loading...

Adenylosuccinate synthetase

Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first commited step in the biosynthesis of AMP from IMP. Plays an important role in the de novo pathway of purine nucleotide biosynthesis.

AlphaFold DB , UniProt , Accession A0A077YWW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 452 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
1M49.9Very low71.4Confident135 Ų13580.9 Ų80.967%0.66540%0.4SS*.  0145.30-67-147.5-11900108.2R5 P223M1-R5 HydrophobicContact CB-CB 4.36Å; M1-R5 HydrophobicContact SD-CB 4.44Å; M1-P223 HydrophobicContact CE-CG 4.43Å
2P50.5Low73.6Confident83 Ų8374.2 Ų74.254%0.53937%0.366SS..  trans-54.5147174.2-20.430.8000110.7E4 R5P2-E4 PolarHBondContact O-N 3.44Å; P2-E4 VanDerWaalsContact O-N 3.17Å; P2-R5 PolarHBondContact O-N 3.15Å
3A53.4Low75.4Confident65 Ų6568.6 Ų68.654%0.53734%0.339SS..G310 helixtrans-55.1-35.5-176.800000113R5 M6A3-R5 VanDerWaalsContact C-N 3.34Å; A3-R5 PolarHBondContact O-N 3.2Å; A3-M6 WeakPolarHBondContact O-CB 3.3Å; A3-M6 PolarHBondContact O-N 2.99Å
4E51.8Low76.9Confident174 Ų17463.7 Ų63.781%0.81332%0.315SS*.G310 helixtrans-62.4-37.2176.5-70.8178.2169.300112.9P2 M6 R7P2-E4 PolarHBondContact O-N 3.44Å; P2-E4 VanDerWaalsContact O-N 3.17Å; E4-M6 PolarHBondContact O-N 3.44Å; E4-M6 VanDerWaalsContact O-N 3.13Å; E4-R7 PolarHBondContact O-N 3.38Å
5R54.1Low78.3Confident174 Ų17459.5 Ų59.566%0.65729%0.294SS*.G310 helixtrans-69.2-7.8175.2-81.2-166.6179.9-176.20.8113.4M1 P2 A3M1-R5 HydrophobicContact CB-CB 4.36Å; M1-R5 HydrophobicContact SD-CB 4.44Å; P2-R5 PolarHBondContact O-N 3.15Å; A3-R5 VanDerWaalsContact C-N 3.34Å; A3-R5 PolarHBondContact O-N 3.2Å
6M65.2Low79.4Confident65 Ų6555.9 Ų55.932%0.3228%0.276SS..G310 helixtrans-96.6-15179.7-66.6-165.6-72.500114.1A3 E4 R266A3-M6 WeakPolarHBondContact O-CB 3.3Å; A3-M6 PolarHBondContact O-N 2.99Å; E4-M6 PolarHBondContact O-N 3.44Å; E4-M6 VanDerWaalsContact O-N 3.13Å; M6-R266 WeakPolarHBondContact O-CD 3.34Å
7R79Confident80.2Confident148 Ų14853.1 Ų53.156%0.55826%0.262SS*.  trans-9891.3-175.5-66.2-174.4-179.1176.90.9111.1E4 R266 V267 S268E4-R7 PolarHBondContact O-N 3.38Å; R7-R266 WeakPolarHBondContact CA-O 3.33Å; R7-V267 WeakPolarHBondContact CD-O 3.17Å; R7-S268 WeakPolarHBondContact O-CB 3.47Å
8T88.9Confident80.7Confident16 Ų1651.1 Ų51.110%0.09826%0.257CS..  trans-123.18-178.363.50000113.5L218 P223 K224 N225 V226 R266T8-L218 WeakPolarHBondContact OG1-CD2 3.22Å; T8-P223 HydrophobicContact CG2-CB 4.05Å; T8-K224 VanDerWaalsContact CB-O 3.29Å; T8-K224 WeakPolarHBondContact CB-O 3.4Å; T8-K224 PolarHBondContact OG1-O 2.94Å; T8-N225 WeakPolarHBondContact O-CA 3.37Å; T8-V226 PolarHBondContact O-N 2.77Å; T8-R266 PolarHBondContact N-O 2.97Å
9V97Very high81.2Confident0 Ų049.4 Ų49.40%025%0.249CC..EExtended strand (participates in β ladder)trans-101.7115177.4-174.80000110.2I11 L218 V226 V228 I262 R266 V267 S268V9-I11 HydrophobicContact CG1-CG1 4.21Å; V9-L218 HydrophobicContact CG2-CD1 4Å; V9-L218 HydrophobicContact CG2-CD2 3.63Å; V9-L218 HydrophobicContact CG2-CG 4.49Å; V9-V226 CarbonylContact C-O 3.55Å; V9-V226 WeakPolarHBondContact CA-O 3.5Å; V9-V226 HydrophobicContact CG1-CB 4.43Å; V9-V226 HydrophobicContact CG1-CG1 4.49Å; V9-V226 HydrophobicContact CG2-CB 4.19Å; V9-V228 HydrophobicContact CG1-CG2 3.79Å; V9-I262 HydrophobicContact CG1-CD1 3.88Å; V9-I262 HydrophobicContact CG2-CD1 4.49Å; V9-R266 WeakPolarHBondContact CB-O 3.3Å; V9-R266 HydrophobicContact CG2-CB 3.93Å; V9-R266 PolarHBondContact N-O 2.97Å; V9-V267 CarbonylContact O-C 3.43Å; V9-V267 WeakPolarHBondContact O-CA 3.16Å; V9-S268 PolarHBondContact O-N 3.3Å; V9-S268 PolarHBondContact O-OG 3.38Å
10S97.4Very high81.7Confident30 Ų3046.9 Ų46.921%0.2124%0.236CC..EExtended strand (participates in β ladder)trans-99.3135.6168.6-60.70000109.9V226 L227 V228 S268 D269S10-V226 PolarHBondContact N-O 2.86Å; S10-L227 CarbonylContact O-C 3.54Å; S10-L227 WeakPolarHBondContact O-CA 3.22Å; S10-V228 PolarHBondContact O-N 3.18Å; S10-S268 PolarHBondContact OG-OG 2.72Å; S10-D269 CarbonylContact C-O 3.54Å; S10-D269 WeakPolarHBondContact CA-O 3.38Å
11I98Very high82Confident0 Ų046.3 Ų46.30%024%0.242CC..EExtended strand (participates in β ladder)trans-114.4132.7-177.7-60.8176.8000109V9 L13 V228 V253 V256 V267 D269 I271V9-I11 HydrophobicContact CG1-CG1 4.21Å; I11-L13 HydrophobicContact CG2-CD1 4.07Å; I11-L13 HydrophobicContact CG2-CD2 4.21Å; I11-L13 HydrophobicContact CG2-CG 3.78Å; I11-V228 HydrophobicContact CB-CB 4.49Å; I11-V228 HydrophobicContact CG1-CB 4.21Å; I11-V228 HydrophobicContact CG1-CG2 4.19Å; I11-V228 HydrophobicContact CG2-CB 4.45Å; I11-V253 HydrophobicContact CD1-CG1 4.18Å; I11-V256 HydrophobicContact CD1-CB 4.21Å; I11-V256 HydrophobicContact CD1-CG1 3.67Å; I11-V256 HydrophobicContact CD1-CG2 4.5Å; I11-V256 HydrophobicContact CG1-CG1 4.05Å; I11-V256 HydrophobicContact CG2-CG1 4.46Å; I11-V256 HydrophobicContact CG2-CG2 3.81Å; I11-V267 HydrophobicContact CD1-CB 4.47Å; I11-V267 HydrophobicContact CD1-CG1 3.75Å; I11-V267 HydrophobicContact CD1-CG2 3.8Å; I11-V267 HydrophobicContact CG1-CG1 4.23Å; I11-D269 PolarHBondContact N-O 3.22Å; I11-I271 WeakPolarHBondContact O-CB 3.36Å; I11-I271 PolarHBondContact O-N 2.97Å
12V97.6Very high83.9Confident0 Ų040.1 Ų40.10%021%0.211CC..EExtended strand (participates in β ladder)trans-116.3118173.7-177.80000109.7V26 L29 L227 V228 G230 I271 I273V12-V26 HydrophobicContact CB-CG2 4.09Å; V12-V26 HydrophobicContact CG1-CG2 3.78Å; V12-V26 HydrophobicContact CG2-CG2 4.37Å; V12-L29 HydrophobicContact CG2-CD1 3.91Å; V12-L227 HydrophobicContact CG2-CD1 3.69Å; V12-V228 PolarHBondContact N-O 3.4Å; V12-G230 WeakPolarHBondContact O-CA 3.44Å; V12-G230 PolarHBondContact O-N 3.2Å; V12-I271 HydrophobicContact CG2-CB 4.31Å; V12-I271 HydrophobicContact CG2-CD1 4.24Å; V12-I273 HydrophobicContact CG1-CD1 3.68Å; V12-I273 HydrophobicContact CG1-CG1 3.51Å
13L97.4Very high85.6Confident2 Ų236.5 Ų36.51%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-124.8146.9179.9-63.8172.5000110.6I11 S15 V253 V256 I271 I273 N346 F348I11-L13 HydrophobicContact CG2-CD1 4.07Å; I11-L13 HydrophobicContact CG2-CD2 4.21Å; I11-L13 HydrophobicContact CG2-CG 3.78Å; L13-S15 PolarHBondContact O-N 3.15Å; L13-V253 HydrophobicContact CD1-CG2 3.79Å; L13-V256 HydrophobicContact CD2-CG2 4.04Å; L13-I271 PolarHBondContact N-O 3.5Å; L13-I273 PolarHBondContact O-N 3.1Å; L13-N346 WeakPolarHBondContact CD1-OD1 3.44Å; L13-F348 HydrophobicContact CB-CE1 4.37Å
14G96.5Very high87.2Confident0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-72.1126.2163.900000108.1Q16 E20 G233 T234G14-Q16 VanDerWaalsContact C-N 3.28Å; G14-E20 WeakPolarHBondContact CA-OE1 3.37Å; G14-E20 WeakPolarHBondContact CA-OE2 3.16Å; G14-G233 CarbonylContact O-C 3.48Å; G14-G233 VanDerWaalsContact O-CA 3.22Å; G14-G233 WeakPolarHBondContact O-CA 3.14Å; G14-T234 PolarHBondContact O-N 3.23Å; G14-T234 PolarHBondContact O-OG1 2.83Å
15S97.6Very high89Confident0 Ų028 Ų280%014%0.138CC..SBendtrans-83.5-7.3-179.460.90000112.9L13 I273 V274 L339 S342L13-S15 PolarHBondContact O-N 3.15Å; S15-I273 PolarHBondContact N-O 3.41Å; S15-I273 PolarHBondContact OG-O 3.36Å; S15-V274 WeakPolarHBondContact OG-CG2 3.46Å; S15-L339 WeakPolarHBondContact OG-CD1 3.39Å; S15-S342 WeakPolarHBondContact O-CB 3.44Å; S15-S342 PolarHBondContact O-OG 3.49Å
16Q95.7Very high90.7Very high3 Ų319.8 Ų19.81%0.01411%0.107CC..SBendtrans-123.1-123.4-175.2-58167.8-62.400109.3G14 E20 G233 T234 L235 E278G14-Q16 VanDerWaalsContact C-N 3.28Å; Q16-E20 WeakPolarHBondContact CA-OE1 3.35Å; Q16-E20 HydrophobicContact CB-CG 3.98Å; Q16-E20 WeakPolarHBondContact CB-OE1 3.3Å; Q16-E20 HydrophobicContact CG-CG 4.41Å; Q16-E20 PolarHBondContact N-OE1 2.88Å; Q16-G233 CarbonylContact O-C 3.27Å; Q16-G233 VanDerWaalsContact O-C 3.27Å; Q16-G233 WeakPolarHBondContact O-CA 3.09Å; Q16-T234 PolarHBondContact O-N 3.34Å; Q16-L235 HydrophobicContact CB-CD1 4.28Å; Q16-L235 VanDerWaalsContact O-CB 3.29Å; Q16-L235 WeakPolarHBondContact O-CB 3.26Å; Q16-L235 PolarHBondContact O-N 3.31Å; Q16-E278 PolarHBondContact NE2-OE1 3.09Å
17W93.2Very high91.9Very high7 Ų716.9 Ų16.93%0.0279%0.093CC..SBendtrans-96.29-171.7-54.3101000114.6E20 L235 L236 T242 E278 T279 R280 L338W17-E20 PolarHBondContact N-OE1 3.17Å; W17-E20 VanDerWaalsContact N-OE1 3.08Å; W17-L235 HydrophobicContact CD2-CB 3.86Å; W17-L235 HydrophobicContact CD2-CD1 4.12Å; W17-L235 HydrophobicContact CE3-CB 3.63Å; W17-L235 HydrophobicContact CH2-CB 3.75Å; W17-L235 HydrophobicContact CH2-CD1 4.25Å; W17-L235 HydrophobicContact CZ2-CB 4.02Å; W17-L235 HydrophobicContact CZ2-CD1 3.69Å; W17-L235 HydrophobicContact CZ2-CG 4.49Å; W17-L235 HydrophobicContact CZ3-CB 3.57Å; W17-L235 WeakPolarHBondContact CZ3-O 3.14Å; W17-L236 HydrophobicContact CE3-CD2 3.8Å; W17-L236 HydrophobicContact CE3-CG 4.2Å; W17-L236 HydrophobicContact CZ3-CD2 4.28Å; W17-L236 WeakPolarHBondContact O-CD1 3.27Å; W17-T242 WeakPolarHBondContact CH2-OG1 3.46Å; W17-E278 PolarHBondContact NE1-OE2 3.01Å; W17-T279 WeakPolarHBondContact CB-O 3.42Å; W17-R280 HydrophobicContact CB-CB 4.37Å; W17-R280 HydrophobicContact CB-CG 4.36Å; W17-R280 HydrophobicContact CD2-CB 4.41Å; W17-R280 HydrophobicContact CD2-CG 4.06Å; W17-R280 HydrophobicContact CE3-CG 4.25Å; W17-R280 HydrophobicContact CG-CB 4.05Å; W17-R280 HydrophobicContact CG-CG 4.09Å; W17-R280 VanDerWaalsContact CZ3-CZ 3.48Å; W17-L338 HydrophobicContact CZ2-CD1 4.14Å
18G89.9Confident92.3Very high17 Ų1712 Ų1218%0.1758%0.078CC..SBendtrans93.3-1.9169.200000116.4E20 K22G18-E20 WeakPolarHBondContact CA-OE1 3.41Å; G18-E20 WeakPolarHBondContact CA-OE2 3.43Å; G18-E20 VanDerWaalsContact N-CD 3.3Å; G18-E20 PolarHBondContact N-OE1 3.21Å; G18-E20 PolarHBondContact N-OE2 3.03Å; G18-K22 PolarHBondContact O-NZ 3Å
19D89.2Confident92.5Very high19 Ų1912.9 Ų12.910%0.1028%0.082CC..  trans-111.826.9178.960.4-25.2000113.3G21 K275 T279 R329D19-G21 PolarHBondContact O-N 2.93Å; D19-K275 WeakPolarHBondContact O-CE 3.24Å; D19-K275 PolarHBondContact O-NZ 2.77Å; D19-T279 PolarHBondContact OD1-OG1 3.45Å; D19-T279 WeakPolarHBondContact OD2-CB 3.22Å; D19-T279 PolarHBondContact OD2-OG1 3.04Å; D19-R329 WeakPolarHBondContact OD2-CD 3.25Å; D19-R329 IonicContact OD2-CZ 3.3Å; D19-R329 IonicContact OD2-NE 3.35Å; D19-R329 PolarHBondContact OD2-NE 3.32Å; D19-R329 VanDerWaalsContact OD2-NE 3.1Å
20E92.3Very high92.2Very high0 Ų013 Ų130%08%0.082CC..SBendtrans-76.86.2-178.2-44.686.7166.100113.7G14 Q16 W17 G18 K22 I273 K275 T354G14-E20 WeakPolarHBondContact CA-OE1 3.37Å; G14-E20 WeakPolarHBondContact CA-OE2 3.16Å; Q16-E20 WeakPolarHBondContact CA-OE1 3.35Å; Q16-E20 HydrophobicContact CB-CG 3.98Å; Q16-E20 WeakPolarHBondContact CB-OE1 3.3Å; Q16-E20 HydrophobicContact CG-CG 4.41Å; Q16-E20 PolarHBondContact N-OE1 2.88Å; W17-E20 PolarHBondContact N-OE1 3.17Å; W17-E20 VanDerWaalsContact N-OE1 3.08Å; G18-E20 WeakPolarHBondContact CA-OE1 3.41Å; G18-E20 WeakPolarHBondContact CA-OE2 3.43Å; G18-E20 VanDerWaalsContact N-CD 3.3Å; G18-E20 PolarHBondContact N-OE1 3.21Å; G18-E20 PolarHBondContact N-OE2 3.03Å; E20-K22 IonicContact OE2-NZ 2.72Å; E20-K22 PolarHBondContact OE2-NZ 3.4Å; E20-I273 HydrophobicContact CB-CB 4.32Å; E20-I273 HydrophobicContact CB-CG2 3.77Å; E20-I273 WeakPolarHBondContact CB-O 3.49Å; E20-I273 WeakPolarHBondContact CG-O 3.41Å; E20-I273 WeakPolarHBondContact O-CG2 3.33Å; E20-K275 HydrophobicContact CB-CB 4.15Å; E20-K275 HydrophobicContact CG-CB 4.44Å; E20-T354 WeakPolarHBondContact O-CB 3.11Å; E20-T354 VanDerWaalsContact O-CG2 3.25Å; E20-T354 WeakPolarHBondContact O-CG2 3.45Å; E20-T354 PolarHBondContact O-OG1 3.44Å
21G88.1Confident91.8Very high35 Ų3514.3 Ų14.336%0.36110%0.095SC..  trans78.433.8177.400000114.9D19 G23 K24D19-G21 PolarHBondContact O-N 2.93Å; G21-G23 PolarHBondContact O-N 3.31Å; G21-K24 PolarHBondContact O-N 3.31Å
22K89.7Confident91.4Very high4 Ų422 Ų222%0.01713%0.129CC..Hα-helixtrans-45.6-38.4176.8-70.5-179-78.9-73.30114.3G18 E20 K24 V25 V26 H47 G230 N232 I273G18-K22 PolarHBondContact O-NZ 3Å; E20-K22 IonicContact OE2-NZ 2.72Å; E20-K22 PolarHBondContact OE2-NZ 3.4Å; K22-K24 VanDerWaalsContact C-N 3.26Å; K22-K24 PolarHBondContact O-N 3.14Å; K22-K24 VanDerWaalsContact O-N 3.13Å; K22-V25 PolarHBondContact O-N 3.41Å; K22-V25 VanDerWaalsContact O-N 3.08Å; K22-V26 HydrophobicContact CB-CG2 4.34Å; K22-V26 WeakPolarHBondContact O-CG2 3.44Å; K22-V26 PolarHBondContact O-N 3.35Å; K22-H47 WeakPolarHBondContact CE-NE2 3.45Å; K22-G230 WeakPolarHBondContact CE-O 3.44Å; K22-N232 WeakPolarHBondContact CE-O 3.44Å; K22-N232 PolarHBondContact NZ-O 3.41Å; K22-I273 HydrophobicContact CB-CG1 4.32Å; K22-I273 HydrophobicContact CG-CB 3.95Å; K22-I273 HydrophobicContact CG-CG1 3.7Å; K22-I273 HydrophobicContact CG-CG2 4.26Å
23G86Confident91.3Very high7 Ų722.7 Ų22.77%0.07213%0.134CC..Hα-helixtrans-52.3-38.5-171.500000114.4G21 D27G21-G23 PolarHBondContact O-N 3.31Å; G23-D27 VanDerWaalsContact O-CB 3.31Å; G23-D27 WeakPolarHBondContact O-CB 3.5Å; G23-D27 PolarHBondContact O-N 2.85Å
24K86.1Confident91.3Very high54 Ų5424.8 Ų24.824%0.23515%0.146CC..Hα-helixtrans-65.5-47.4178.7-175.2-177.1-70.4-163.50112G21 K22 D27 L28 G439 K440 E441 S444G21-K24 PolarHBondContact O-N 3.31Å; K22-K24 VanDerWaalsContact C-N 3.26Å; K22-K24 PolarHBondContact O-N 3.14Å; K22-K24 VanDerWaalsContact O-N 3.13Å; K24-D27 PolarHBondContact O-N 2.85Å; K24-L28 PolarHBondContact O-N 3.25Å; K24-L28 VanDerWaalsContact O-N 3.11Å; K24-G439 PolarHBondContact NZ-O 3.01Å; K24-K440 PolarHBondContact NZ-O 3.24Å; K24-E441 WeakPolarHBondContact CE-O 3.16Å; K24-E441 PolarHBondContact NZ-O 2.86Å; K24-S444 PolarHBondContact NZ-O 2.75Å
25V89.8Confident91.4Very high8 Ų825 Ų255%0.04815%0.146CC..Hα-helixtrans-70.5-41.6-179.1178.50000110.6K22 D27 L28 L29 I273 A352 W435K22-V25 PolarHBondContact O-N 3.41Å; K22-V25 VanDerWaalsContact O-N 3.08Å; V25-D27 VanDerWaalsContact C-N 3.31Å; V25-D27 PolarHBondContact O-N 3.04Å; V25-L28 PolarHBondContact O-N 2.98Å; V25-L29 HydrophobicContact CG1-CD1 3.84Å; V25-L29 HydrophobicContact CG1-CG 4.36Å; V25-L29 WeakPolarHBondContact O-CB 3.38Å; V25-L29 VanDerWaalsContact O-CG 3.31Å; V25-L29 WeakPolarHBondContact O-CG 3.32Å; V25-L29 PolarHBondContact O-N 3.36Å; V25-I273 HydrophobicContact CB-CD1 3.84Å; V25-I273 HydrophobicContact CG1-CD1 3.78Å; V25-I273 HydrophobicContact CG2-CD1 3.98Å; V25-A352 HydrophobicContact CG1-CB 4.31Å; V25-A352 HydrophobicContact CG2-CB 3.75Å; V25-W435 HydrophobicContact CG1-CE3 4.49Å
26V91.2Very high91.4Very high0 Ų025 Ų250%015%0.146CC..Hα-helixtrans-58.9-44.2174.7174.20000110.6V12 K22 L29 A30 S63 L227 E229V12-V26 HydrophobicContact CB-CG2 4.09Å; V12-V26 HydrophobicContact CG1-CG2 3.78Å; V12-V26 HydrophobicContact CG2-CG2 4.37Å; K22-V26 HydrophobicContact CB-CG2 4.34Å; K22-V26 WeakPolarHBondContact O-CG2 3.44Å; K22-V26 PolarHBondContact O-N 3.35Å; V26-L29 PolarHBondContact O-N 3.49Å; V26-A30 WeakPolarHBondContact O-CA 3.29Å; V26-A30 WeakPolarHBondContact O-CB 3.4Å; V26-A30 PolarHBondContact O-N 2.94Å; V26-S63 WeakPolarHBondContact CG1-OG 3.4Å; V26-L227 HydrophobicContact CG1-CD2 4.18Å; V26-E229 HydrophobicContact CG1-CB 4.31Å; V26-E229 HydrophobicContact CG1-CG 4.05Å; V26-E229 HydrophobicContact CG2-CG 4.26Å
27D89Confident91.5Very high4 Ų424.8 Ų24.82%0.02115%0.146CC..Hα-helixtrans-63.8-42.4178.2179.362.4000113.1G23 K24 V25 L29 A30 A31 V49 H67 R442G23-D27 VanDerWaalsContact O-CB 3.31Å; G23-D27 WeakPolarHBondContact O-CB 3.5Å; G23-D27 PolarHBondContact O-N 2.85Å; K24-D27 PolarHBondContact O-N 2.85Å; V25-D27 VanDerWaalsContact C-N 3.31Å; V25-D27 PolarHBondContact O-N 3.04Å; D27-L29 VanDerWaalsContact C-N 3.32Å; D27-L29 PolarHBondContact O-N 3.34Å; D27-A30 PolarHBondContact O-N 3.47Å; D27-A31 PolarHBondContact O-N 3.18Å; D27-V49 HydrophobicContact CB-CG1 3.82Å; D27-V49 HydrophobicContact CB-CG2 4.3Å; D27-V49 WeakPolarHBondContact OD1-CG1 3.43Å; D27-H67 PolarHBondContact O-NE2 2.99Å; D27-H67 IonicContact OD1-CD2 2.71Å; D27-H67 IonicContact OD1-CE1 3.28Å; D27-H67 PolarHBondContact OD1-CE1 3.26Å; D27-H67 IonicContact OD1-NE2 3Å; D27-H67 PolarHBondContact OD1-NE2 2.88Å; D27-R442 IonicContact OD1-NH2 2.7Å; D27-R442 IonicContact OD2-CZ 3.36Å; D27-R442 IonicContact OD2-NE 3.46Å; D27-R442 PolarHBondContact OD2-NE 2.9Å; D27-R442 IonicContact OD2-NH2 3.6Å; D27-R442 PolarHBondContact OD2-NH2 3.42Å
28L88.9Confident91.7Very high47 Ų4724.6 Ų24.625%0.24615%0.145CC..Hα-helixtrans-60.6-42.7176.6-177.6145.1000111.6K24 V25 V445K24-L28 PolarHBondContact O-N 3.25Å; K24-L28 VanDerWaalsContact O-N 3.11Å; V25-L28 PolarHBondContact O-N 2.98Å; L28-V445 HydrophobicContact CD1-CG1 4.03Å
29L91.4Very high92Very high34 Ų3423.9 Ų23.918%0.17814%0.137CC..Hα-helixtrans-76.9-34.8179.6-65.1175.1000112.6V12 V25 V26 D27 A31 K32 A33 L227 I271 W435V12-L29 HydrophobicContact CG2-CD1 3.91Å; V25-L29 HydrophobicContact CG1-CD1 3.84Å; V25-L29 HydrophobicContact CG1-CG 4.36Å; V25-L29 WeakPolarHBondContact O-CB 3.38Å; V25-L29 VanDerWaalsContact O-CG 3.31Å; V25-L29 WeakPolarHBondContact O-CG 3.32Å; V25-L29 PolarHBondContact O-N 3.36Å; V26-L29 PolarHBondContact O-N 3.49Å; D27-L29 VanDerWaalsContact C-N 3.32Å; D27-L29 PolarHBondContact O-N 3.34Å; L29-A31 PolarHBondContact O-N 2.9Å; L29-K32 PolarHBondContact O-N 3.49Å; L29-K32 VanDerWaalsContact O-N 3.07Å; L29-A33 PolarHBondContact O-N 3.39Å; L29-L227 HydrophobicContact CB-CD1 4.02Å; L29-L227 HydrophobicContact CB-CD2 3.62Å; L29-L227 HydrophobicContact CB-CG 4.48Å; L29-L227 HydrophobicContact CD1-CD1 4.06Å; L29-I271 HydrophobicContact CD1-CD1 3.48Å; L29-I271 VanDerWaalsContact CD1-CD1 3.48Å; L29-W435 HydrophobicContact CD1-CH2 4.43Å; L29-W435 HydrophobicContact CD2-CH2 4.07Å; L29-W435 HydrophobicContact CD2-CZ2 3.7Å
30A91.8Very high92.2Very high1 Ų123.2 Ų23.21%0.00813%0.134CC..Hα-helixtrans-62-28.9-179.500000112.4V26 D27 K32 A33 V36 L227V26-A30 WeakPolarHBondContact O-CA 3.29Å; V26-A30 WeakPolarHBondContact O-CB 3.4Å; V26-A30 PolarHBondContact O-N 2.94Å; D27-A30 PolarHBondContact O-N 3.47Å; A30-K32 PolarHBondContact O-N 3.49Å; A30-K32 VanDerWaalsContact O-N 3.1Å; A30-A33 PolarHBondContact O-N 2.92Å; A30-A33 VanDerWaalsContact O-N 3.09Å; A30-V36 HydrophobicContact CB-CG2 3.76Å; A30-L227 HydrophobicContact CB-CD2 4.14Å
31A88.7Confident92.3Very high59 Ų5923.2 Ų23.249%0.48813%0.134SC..THydrogen-bonded Turntrans-58.2-23.2175.200000113.6D27 L29D27-A31 PolarHBondContact O-N 3.18Å; L29-A31 PolarHBondContact O-N 2.9Å
32K90Very high92.5Very high161 Ų16121.6 Ų21.670%0.712%0.117SC*.THydrogen-bonded Turntrans-109.1-0.6179-60.8179.1-177.3175.20113.3L29 A30L29-K32 PolarHBondContact O-N 3.49Å; L29-K32 VanDerWaalsContact O-N 3.07Å; A30-K32 PolarHBondContact O-N 3.49Å; A30-K32 VanDerWaalsContact O-N 3.1Å
33A95.4Very high92.5Very high14 Ų1421.7 Ų21.712%0.11612%0.117CC..  trans-93.4136.6-176.800000111.4L29 A30 V36 C70 L227L29-A33 PolarHBondContact O-N 3.39Å; A30-A33 PolarHBondContact O-N 2.92Å; A30-A33 VanDerWaalsContact O-N 3.09Å; A33-V36 HydrophobicContact CB-CG2 4.13Å; A33-C70 PolarHBondContact O-SG 3.08Å; A33-L227 HydrophobicContact CB-CB 3.81Å
34D97.1Very high92.5Very high47 Ų4722.1 Ų22.125%0.25112%0.118SC..SBendtrans-74.1-34.9171.1-64.7-86.4000111.2V71 K224 N225D34-V71 PolarHBondContact O-N 3.2Å; D34-K224 HydrophobicContact CB-CB 3.9Å; D34-K224 HydrophobicContact CB-CD 4.13Å; D34-K224 HydrophobicContact CB-CG 4.28Å; D34-K224 IonicContact OD1-NZ 3.79Å; D34-K224 PolarHBondContact OD1-NZ 2.83Å; D34-K224 WeakPolarHBondContact OD2-CA 3.1Å; D34-N225 PolarHBondContact N-O 3.16Å; D34-N225 PolarHBondContact OD2-N 2.87Å
35I98.4Very high92.3Very high3 Ų320 Ų202%0.01511%0.111CC..EExtended strand (participates in β ladder)trans-134.8129.5-177.9-55.2168000108.9V71 L73 Y213 L214 A217 N225 V226 L227I35-V71 CarbonylContact C-O 3.57Å; I35-V71 VanDerWaalsContact CA-O 3.3Å; I35-V71 WeakPolarHBondContact CA-O 3.11Å; I35-V71 HydrophobicContact CG1-CB 4.16Å; I35-V71 HydrophobicContact CG2-CG1 4.49Å; I35-L73 HydrophobicContact CG2-CB 4.04Å; I35-Y213 HydrophobicContact CD1-CE1 3.81Å; I35-Y213 HydrophobicContact CG1-CE1 4.49Å; I35-L214 HydrophobicContact CD1-CD2 4.34Å; I35-L214 HydrophobicContact CG2-CD2 4.36Å; I35-A217 HydrophobicContact CD1-CB 3.63Å; I35-N225 PolarHBondContact N-O 2.89Å; I35-V226 HydrophobicContact CB-CG1 4.45Å; I35-V226 HydrophobicContact CB-CG2 4.2Å; I35-V226 HydrophobicContact CD1-CG2 4.16Å; I35-V226 HydrophobicContact CG2-CG1 4.46Å; I35-V226 CarbonylContact O-C 3.57Å; I35-V226 WeakPolarHBondContact O-CA 3.5Å; I35-L227 PolarHBondContact O-N 3.36Å
36V98.1Very high92Very high0 Ų020.9 Ų20.90%012%0.121CC..EExtended strand (participates in β ladder)trans-109.4121.4165.7178.70000108.6A30 A33 P62 C70 V71 A72 L73 L227 E229A30-V36 HydrophobicContact CB-CG2 3.76Å; A33-V36 HydrophobicContact CB-CG2 4.13Å; V36-P62 HydrophobicContact CB-CB 4.38Å; V36-P62 HydrophobicContact CG1-CB 3.88Å; V36-C70 WeakPolarHBondContact CG2-SG 3.21Å; V36-V71 PolarHBondContact N-O 3.07Å; V36-A72 WeakPolarHBondContact O-CA 3.42Å; V36-L73 PolarHBondContact O-N 3.08Å; V36-L227 CarbonylContact C-O 3.54Å; V36-L227 VanDerWaalsContact CA-O 3.24Å; V36-L227 WeakPolarHBondContact CA-O 3.35Å; V36-L227 HydrophobicContact CG2-CB 4.12Å; V36-L227 HydrophobicContact CG2-CD2 4.18Å; V36-E229 HydrophobicContact CG1-CB 4.12Å
37A98.2Very high91.6Very high0 Ų021.3 Ų21.30%012%0.123CC..EExtended strand (participates in β ladder)trans-117.4136.7-173.200000112.2L73 V226 L227 V228 E229 L260A37-L73 CarbonylContact C-O 3.52Å; A37-L73 VanDerWaalsContact CA-O 3.24Å; A37-L73 WeakPolarHBondContact CA-O 3.46Å; A37-L73 HydrophobicContact CB-CB 4.22Å; A37-L73 HydrophobicContact CB-CD2 4Å; A37-V226 HydrophobicContact CB-CG1 4.4Å; A37-L227 PolarHBondContact N-O 2.84Å; A37-V228 CarbonylContact O-C 3.58Å; A37-V228 WeakPolarHBondContact O-CA 3.39Å; A37-E229 PolarHBondContact O-N 2.92Å; A37-L260 HydrophobicContact CB-CD1 4.02Å; A37-L260 HydrophobicContact CB-CD2 3.94Å
38R96.9Very high91.3Very high3 Ų324.1 Ų24.11%0.01114%0.14CC..EExtended strand (participates in β ladder)trans-99.7139.8164.8-81.4-168.5175.1-160.14.8110.7H47 F58 H59 I60 P62 L73 G75 T78 E229R38-H47 PolarHBondContact NH2-ND1 3.39Å; R38-F58 PolarHBondContact NH2-O 3.48Å; R38-H59 PolarHBondContact NH1-O 3.45Å; R38-I60 WeakPolarHBondContact CD-O 3.5Å; R38-P62 HydrophobicContact CB-CG 4.18Å; R38-P62 HydrophobicContact CG-CB 4.21Å; R38-P62 HydrophobicContact CG-CG 3.99Å; R38-L73 PolarHBondContact N-O 3.4Å; R38-G75 VanDerWaalsContact O-CA 3.29Å; R38-G75 WeakPolarHBondContact O-CA 3.43Å; R38-G75 PolarHBondContact O-N 3.45Å; R38-T78 PolarHBondContact O-OG1 2.95Å; R38-E229 HydrophobicContact CG-CB 4.24Å; R38-E229 HydrophobicContact CG-CG 4.43Å; R38-E229 IonicContact CZ-OE1 2.75Å; R38-E229 IonicContact NE-OE1 2.6Å; R38-E229 PolarHBondContact NE-OE1 2.99Å; R38-E229 IonicContact NE-OE2 2.72Å; R38-E229 IonicContact NH2-OE1 2.63Å; R38-E229 PolarHBondContact NH2-OE1 2.83Å
39C95.5Very high91Very high1 Ų122 Ų221%0.00713%0.129CC..  trans-123.8-14.9-16847.90000115G77 V228 G259 L260C39-G77 CarbonylContact O-C 3.48Å; C39-G77 VanDerWaalsContact O-C 3.27Å; C39-G77 WeakPolarHBondContact O-CA 3.49Å; C39-V228 HydrophobicContact CB-CG1 4.2Å; C39-V228 WeakPolarHBondContact SG-CG1 3.47Å; C39-G259 VanDerWaalsContact O-CA 3.29Å; C39-G259 WeakPolarHBondContact O-CA 3.5Å; C39-L260 HydrophobicContact CB-CD1 3.95Å; C39-L260 HydrophobicContact CB-CD2 3.87Å; C39-L260 HydrophobicContact CB-CG 3.55Å
40Q94.5Very high90.5Very high6 Ų623 Ų233%0.02814%0.142CC..SBendtrans-154.3178.5175.277.9-80.3-2.100111.8A231 N250Q40-A231 HydrophobicContact CG-CB 4.4Å; Q40-A231 PolarHBondContact NE2-O 3.29Å; Q40-A231 WeakPolarHBondContact O-CB 3.02Å; Q40-N250 VanDerWaalsContact CG-O 3.32Å; Q40-N250 WeakPolarHBondContact CG-O 3.37Å
41G92.5Very high89.6Confident0 Ų024.5 Ų24.50%015%0.151CC..  trans75.4-160.3178.400000111.1T78 V79 Y144G41-T78 CarbonylContact O-C 3.56Å; G41-T78 WeakPolarHBondContact O-CA 3.47Å; G41-T78 WeakPolarHBondContact O-CG2 3.49Å; G41-V79 PolarHBondContact O-N 3.36Å; G41-Y144 PolarHBondContact N-OH 2.85Å
42G92.9Very high88.8Confident1 Ų125.6 Ų25.61%0.0117%0.168CC..  trans-162.7-145.5171.300000108.1N44 A45 H59 V79G42-N44 PolarHBondContact N-OD1 3.01Å; G42-N44 VanDerWaalsContact N-OD1 3.08Å; G42-N44 PolarHBondContact O-N 2.89Å; G42-N44 PolarHBondContact O-OD1 3.35Å; G42-N44 VanDerWaalsContact O-OD1 3.13Å; G42-A45 PolarHBondContact O-N 3.05Å; G42-H59 CarbonylContact C-O 3.59Å; G42-H59 VanDerWaalsContact O-O 3.05Å; G42-V79 WeakPolarHBondContact CA-O 3.48Å
43H89.5Confident88Confident5 Ų527.9 Ų27.92%0.02318%0.181CC..THydrogen-bonded Turntrans-72.119.8-179.468.7-53.8000116.6H59 I60 H81 S84 R138H43-H59 HydrophobicContact CB-CB 3.95Å; H43-H59 PolarHBondContact O-CD2 3.46Å; H43-I60 HydrophobicContact CB-CD1 3.98Å; H43-I60 HydrophobicContact CB-CG1 3.74Å; H43-H81 VanDerWaalsContact CE1-CB 3.44Å; H43-H81 WeakPolarHBondContact CE1-CB 3.21Å; H43-S84 PolarHBondContact CD2-OG 2.91Å; H43-R138 PolarHBondContact CE1-O 3.29Å
44N86.7Confident87.5Confident17 Ų1731.9 Ų31.99%0.09119%0.193CC..THydrogen-bonded Turntrans-85.5-20.9169.261.7-55.1000113.2G42 T136 I140 N232G42-N44 PolarHBondContact N-OD1 3.01Å; G42-N44 VanDerWaalsContact N-OD1 3.08Å; G42-N44 PolarHBondContact O-N 2.89Å; G42-N44 PolarHBondContact O-OD1 3.35Å; G42-N44 VanDerWaalsContact O-OD1 3.13Å; N44-T136 HydrophobicContact CB-CG2 4.03Å; N44-T136 VanDerWaalsContact CB-OG1 3.24Å; N44-T136 WeakPolarHBondContact CB-OG1 3.49Å; N44-I140 HydrophobicContact CB-CD1 4.45Å; N44-I140 HydrophobicContact CB-CG1 3.71Å; N44-N232 PolarHBondContact ND2-OD1 3.45Å
45A82.5Confident87Confident10 Ų1034.1 Ų34.18%0.08321%0.209CC..SBendtrans-109.1122.7177.400000110.3G42 H59 A231G42-A45 PolarHBondContact O-N 3.05Å; A45-H59 WeakPolarHBondContact O-CA 3.41Å; A45-A231 HydrophobicContact CB-CB 4.16Å
46G82.9Confident86.6Confident25 Ų2535.5 Ų35.526%0.25821%0.214SC..  trans-103.8130.6176.600000111.6F58G46-F58 CarbonylContact C-O 3.58Å; G46-F58 WeakPolarHBondContact CA-O 3.44Å
47H82.5Confident86.1Confident10 Ų1036.7 Ų36.75%0.04622%0.22CC..EExtended strand (participates in β ladder)trans-118.4119.7174.8-68.6179.2000109.8K22 R38 F58 E229 G230K22-H47 WeakPolarHBondContact CE-NE2 3.45Å; R38-H47 PolarHBondContact NH2-ND1 3.39Å; H47-F58 PolarHBondContact N-O 2.85Å; H47-F58 PolarHBondContact O-N 3.38Å; H47-E229 IonicContact CE1-OE1 3.15Å; H47-E229 PolarHBondContact CE1-OE1 2.95Å; H47-E229 IonicContact CG-OE1 2.66Å; H47-E229 IonicContact ND1-OE1 2.79Å; H47-E229 PolarHBondContact ND1-OE1 3.44Å; H47-G230 PolarHBondContact CE1-O 3.3Å; H47-G230 VanDerWaalsContact CE1-O 3.28Å
48T83.1Confident85.9Confident63 Ų6336.7 Ų36.739%0.38722%0.22SC..EExtended strand (participates in β ladder)trans-96.9132179.1-50.50000110.5V55 Y56T48-V55 HydrophobicContact CG2-CG1 3.37Å; T48-Y56 VanDerWaalsContact CA-O 3.3Å; T48-Y56 WeakPolarHBondContact CA-O 3.31Å
49V83.3Confident85.7Confident3 Ų337.9 Ų37.92%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-125.9131.6174.9175.40000109.1D27 Y56 F58D27-V49 HydrophobicContact CB-CG1 3.82Å; D27-V49 HydrophobicContact CB-CG2 4.3Å; D27-V49 WeakPolarHBondContact OD1-CG1 3.43Å; V49-Y56 PolarHBondContact N-O 2.75Å; V49-Y56 PolarHBondContact O-N 2.86Å; V49-F58 HydrophobicContact CB-CE2 4.39Å; V49-F58 HydrophobicContact CG2-CD2 4.44Å; V49-F58 HydrophobicContact CG2-CE2 4.5Å
50A79.2Confident85.7Confident53 Ų5337.9 Ų37.944%0.43823%0.226SC..EExtended strand (participates in β ladder)trans-108.4119.1175.100000109.7V55A50-V55 HydrophobicContact CB-CG2 4.38Å
51T73Confident85.8Confident33 Ų3337.6 Ų37.620%0.20222%0.224CC..EExtended strand (participates in β ladder)trans-131.9116.3179.48.60000109.9E53 R54 Y56T51-E53 PolarHBondContact O-N 3.1Å; T51-R54 PolarHBondContact N-O 2.99Å; T51-R54 PolarHBondContact O-N 3.36Å; T51-R54 VanDerWaalsContact O-N 3.16Å; T51-Y56 VanDerWaalsContact OG1-CE2 3.24Å; T51-Y56 WeakPolarHBondContact OG1-CE2 3.38Å
52G73.3Confident86Confident82 Ų8237.6 Ų37.685%0.84522%0.224SC*.THydrogen-bonded Turntrans60.3-131.6-169.200000110.5R54G52-R54 VanDerWaalsContact C-N 3.31Å
53E73.4Confident86Confident210 Ų21037.5 Ų37.598%0.98122%0.224SC*.THydrogen-bonded Turntrans-84.8-3.6177-62.2-178.617600113.5T51T51-E53 PolarHBondContact O-N 3.1Å
54R84.1Confident86.2Confident97 Ų9737.3 Ų37.337%0.36622%0.223SC..EExtended strand (participates in β ladder)trans-104135.3-172.6-170.1163.5177.4169.79.2112.2T51 G52 Y56 N92 S93T51-R54 PolarHBondContact N-O 2.99Å; T51-R54 PolarHBondContact O-N 3.36Å; T51-R54 VanDerWaalsContact O-N 3.16Å; G52-R54 VanDerWaalsContact C-N 3.31Å; R54-Y56 HydrophobicContact CB-CE2 4.01Å; R54-Y56 WeakPolarHBondContact CD-OH 3.5Å; R54-Y56 HydrophobicContact CG-CD2 4.33Å; R54-Y56 HydrophobicContact CG-CE1 4.16Å; R54-Y56 HydrophobicContact CG-CE2 3.84Å; R54-N92 PolarHBondContact NH2-O 3.41Å; R54-S93 PolarHBondContact NH2-OG 3.17Å
55V86Confident86.6Confident95 Ų9536.5 Ų36.558%0.57622%0.219SC*.EExtended strand (participates in β ladder)trans-104.8128.7171.5-176.90000109T48 A50T48-V55 HydrophobicContact CG2-CG1 3.37Å; A50-V55 HydrophobicContact CB-CG2 4.38Å
56Y90.1Very high87.1Confident32 Ų3237.4 Ų37.413%0.12522%0.223CC..EExtended strand (participates in β ladder)trans-111143.9176.4-58.9-90.7000109.8T48 V49 T51 R54 F58 V66 N92 M97T48-Y56 VanDerWaalsContact CA-O 3.3Å; T48-Y56 WeakPolarHBondContact CA-O 3.31Å; V49-Y56 PolarHBondContact N-O 2.75Å; V49-Y56 PolarHBondContact O-N 2.86Å; T51-Y56 VanDerWaalsContact OG1-CE2 3.24Å; T51-Y56 WeakPolarHBondContact OG1-CE2 3.38Å; R54-Y56 HydrophobicContact CB-CE2 4.01Å; R54-Y56 WeakPolarHBondContact CD-OH 3.5Å; R54-Y56 HydrophobicContact CG-CD2 4.33Å; R54-Y56 HydrophobicContact CG-CE1 4.16Å; R54-Y56 HydrophobicContact CG-CE2 3.84Å; Y56-F58 HydrophobicContact CD1-CZ 4.21Å; Y56-F58 HydrophobicContact CG-CE2 4.15Å; Y56-F58 HydrophobicContact CG-CZ 4.08Å; Y56-V66 HydrophobicContact CD1-CG1 4.16Å; Y56-V66 HydrophobicContact CD2-CG1 3.89Å; Y56-V66 HydrophobicContact CE1-CG1 4.29Å; Y56-V66 HydrophobicContact CE2-CG1 4.04Å; Y56-V66 HydrophobicContact CG-CG1 3.94Å; Y56-N92 HydrophobicContact CD1-CB 4.11Å; Y56-M97 HydrophobicContact CE1-CE 3.85Å
57D88.9Confident87.6Confident25 Ų2537.8 Ų37.813%0.13422%0.218CC..EExtended strand (participates in β ladder)trans-128.4104-177.2175.928.9000110.1H59 K91 N92D57-H59 IonicContact OD1-CE1 3.79Å; D57-H59 PolarHBondContact OD1-CE1 3.14Å; D57-H59 IonicContact OD1-ND1 2.7Å; D57-H59 PolarHBondContact OD1-ND1 2.6Å; D57-H59 IonicContact OD2-CE1 3.78Å; D57-H59 PolarHBondContact OD2-CE1 3.2Å; D57-H59 VanDerWaalsContact OD2-CE1 3.3Å; D57-H59 IonicContact OD2-ND1 2.81Å; D57-K91 IonicContact OD2-NZ 3.99Å; D57-K91 PolarHBondContact OD2-NZ 3.2Å; D57-N92 PolarHBondContact N-OD1 3.04Å; D57-N92 VanDerWaalsContact N-OD1 3.15Å; D57-N92 PolarHBondContact O-ND2 2.63Å
58F92.9Very high87.9Confident0 Ų042.5 Ų42.50%024%0.24CC..EExtended strand (participates in β ladder)trans-104.9127.6-170.1-67-68.3000112R38 G46 H47 V49 Y56 V61 S63 I65 V66 E88 N92 I94R38-F58 PolarHBondContact NH2-O 3.48Å; G46-F58 CarbonylContact C-O 3.58Å; G46-F58 WeakPolarHBondContact CA-O 3.44Å; H47-F58 PolarHBondContact N-O 2.85Å; H47-F58 PolarHBondContact O-N 3.38Å; V49-F58 HydrophobicContact CB-CE2 4.39Å; V49-F58 HydrophobicContact CG2-CD2 4.44Å; V49-F58 HydrophobicContact CG2-CE2 4.5Å; Y56-F58 HydrophobicContact CD1-CZ 4.21Å; Y56-F58 HydrophobicContact CG-CE2 4.15Å; Y56-F58 HydrophobicContact CG-CZ 4.08Å; F58-V61 WeakPolarHBondContact CB-O 3.3Å; F58-V61 HydrophobicContact CD1-CB 4.16Å; F58-V61 WeakPolarHBondContact CD1-O 3.46Å; F58-S63 VanDerWaalsContact CD2-CB 3.42Å; F58-I65 HydrophobicContact CE1-CG2 3.57Å; F58-I65 HydrophobicContact CZ-CG2 3.77Å; F58-V66 HydrophobicContact CE2-CG1 3.82Å; F58-V66 HydrophobicContact CZ-CG1 3.5Å; F58-V66 VanDerWaalsContact CZ-CG1 3.5Å; F58-E88 WeakPolarHBondContact CA-OE1 3.49Å; F58-N92 HydrophobicContact CE1-CB 4.34Å; F58-I94 HydrophobicContact CE1-CD1 4.17Å
59H91.9Very high88.3Confident28 Ų2846.6 Ų46.613%0.1326%0.26CS..SBendtrans-120.8-33.6-177.9-77.378.9000112.4R38 G42 H43 A45 D57 E88 T324R38-H59 PolarHBondContact NH1-O 3.45Å; G42-H59 CarbonylContact C-O 3.59Å; G42-H59 VanDerWaalsContact O-O 3.05Å; H43-H59 HydrophobicContact CB-CB 3.95Å; H43-H59 PolarHBondContact O-CD2 3.46Å; A45-H59 WeakPolarHBondContact O-CA 3.41Å; D57-H59 IonicContact OD1-CE1 3.79Å; D57-H59 PolarHBondContact OD1-CE1 3.14Å; D57-H59 IonicContact OD1-ND1 2.7Å; D57-H59 PolarHBondContact OD1-ND1 2.6Å; D57-H59 IonicContact OD2-CE1 3.78Å; D57-H59 PolarHBondContact OD2-CE1 3.2Å; D57-H59 VanDerWaalsContact OD2-CE1 3.3Å; D57-H59 IonicContact OD2-ND1 2.81Å; H59-E88 VanDerWaalsContact N-CD 3.33Å; H59-E88 PolarHBondContact N-OE1 3Å; H59-E88 PolarHBondContact N-OE2 3.1Å; H59-T324 PolarHBondContact NE2-OG1 2.94Å
60I95.7Very high88.8Confident0 Ų046.6 Ų46.60%026%0.26CS..SBendtrans-123.2-41.9175.9-59.6176.2000110.2R38 H43 I74 I80 F85 E88R38-I60 WeakPolarHBondContact CD-O 3.5Å; H43-I60 HydrophobicContact CB-CD1 3.98Å; H43-I60 HydrophobicContact CB-CG1 3.74Å; I60-I74 HydrophobicContact CG2-CD1 3.87Å; I60-I80 HydrophobicContact CD1-CG2 4.4Å; I60-I80 HydrophobicContact CG2-CG1 4.39Å; I60-I80 HydrophobicContact CG2-CG2 4.34Å; I60-F85 HydrophobicContact CD1-CB 3.9Å; I60-F85 HydrophobicContact CG2-CD2 4.05Å; I60-E88 PolarHBondContact N-OE1 3.29Å; I60-E88 PolarHBondContact N-OE2 3.42Å
61V97Very high89.8Confident0 Ų045 Ų450%025%0.245CC..SBendtrans-76.5129.5-175-177.30000109F58 S63 I65 A72 F85 E88 L89 I94 L104F58-V61 WeakPolarHBondContact CB-O 3.3Å; F58-V61 HydrophobicContact CD1-CB 4.16Å; F58-V61 WeakPolarHBondContact CD1-O 3.46Å; V61-S63 PolarHBondContact O-N 3Å; V61-I65 HydrophobicContact CG1-CB 4.09Å; V61-I65 HydrophobicContact CG1-CG1 4.48Å; V61-I65 HydrophobicContact CG1-CG2 3.86Å; V61-A72 HydrophobicContact CG1-CB 4.47Å; V61-F85 HydrophobicContact CG2-CD2 4.01Å; V61-F85 HydrophobicContact CG2-CE2 3.84Å; V61-E88 WeakPolarHBondContact CB-OE1 3.43Å; V61-E88 HydrophobicContact CG2-CG 4.43Å; V61-E88 PolarHBondContact N-OE1 3.46Å; V61-L89 HydrophobicContact CG2-CD2 3.91Å; V61-I94 HydrophobicContact CB-CD1 4.2Å; V61-I94 HydrophobicContact CG1-CD1 3.94Å; V61-I94 HydrophobicContact CG2-CD1 4.1Å; V61-L104 HydrophobicContact CG1-CD1 3.95Å
62P96.2Very high91Very high0 Ų043.5 Ų43.50%024%0.235CC..  trans-58.1136.3174.8-2027.7000111.3V36 R38 G64 I65 A72 L73 I74 E229V36-P62 HydrophobicContact CB-CB 4.38Å; V36-P62 HydrophobicContact CG1-CB 3.88Å; R38-P62 HydrophobicContact CB-CG 4.18Å; R38-P62 HydrophobicContact CG-CB 4.21Å; R38-P62 HydrophobicContact CG-CG 3.99Å; P62-G64 PolarHBondContact O-N 3.26Å; P62-G64 VanDerWaalsContact O-N 3.08Å; P62-I65 WeakPolarHBondContact O-CG2 3.49Å; P62-I65 PolarHBondContact O-N 3.35Å; P62-I65 VanDerWaalsContact O-N 3.17Å; P62-A72 HydrophobicContact CB-CB 4.06Å; P62-A72 HydrophobicContact CG-CB 4.05Å; P62-L73 VanDerWaalsContact CG-O 3.27Å; P62-L73 WeakPolarHBondContact CG-O 3.21Å; P62-I74 HydrophobicContact CG-CG1 4.3Å; P62-E229 VanDerWaalsContact CA-OE2 3.26Å; P62-E229 WeakPolarHBondContact CA-OE2 3.36Å
63S93.4Very high92.2Very high0 Ų039.6 Ų39.60%020%0.195CC..G310 helixtrans-65.6-20-17270.70000112.8V26 F58 V61 I65 V66 E229V26-S63 WeakPolarHBondContact CG1-OG 3.4Å; F58-S63 VanDerWaalsContact CD2-CB 3.42Å; V61-S63 PolarHBondContact O-N 3Å; S63-I65 PolarHBondContact O-N 3.09Å; S63-V66 WeakPolarHBondContact O-CG2 3.38Å; S63-V66 PolarHBondContact O-N 3.16Å; S63-E229 PolarHBondContact N-OE2 2.97Å
64G93.4Very high93.4Very high0 Ų029.6 Ų29.60%015%0.148CC..G310 helixtrans-53.8-20.2173.300000114.9P62 V66 H67 C70P62-G64 PolarHBondContact O-N 3.26Å; P62-G64 VanDerWaalsContact O-N 3.08Å; G64-V66 PolarHBondContact O-N 2.88Å; G64-H67 WeakPolarHBondContact O-CB 3.48Å; G64-H67 PolarHBondContact O-N 3.46Å; G64-C70 WeakPolarHBondContact O-CB 3.49Å
65I95.6Very high94.1Very high0 Ų025 Ų250%013%0.131CC..G310 helixtrans-56.7-25.3179.1-165.262.7000113.5F58 V61 P62 S63 H67 A72 I94 M97 R103 L104F58-I65 HydrophobicContact CE1-CG2 3.57Å; F58-I65 HydrophobicContact CZ-CG2 3.77Å; V61-I65 HydrophobicContact CG1-CB 4.09Å; V61-I65 HydrophobicContact CG1-CG1 4.48Å; V61-I65 HydrophobicContact CG1-CG2 3.86Å; P62-I65 WeakPolarHBondContact O-CG2 3.49Å; P62-I65 PolarHBondContact O-N 3.35Å; P62-I65 VanDerWaalsContact O-N 3.17Å; S63-I65 PolarHBondContact O-N 3.09Å; I65-H67 PolarHBondContact O-N 3.38Å; I65-A72 HydrophobicContact CB-CB 3.78Å; I65-A72 HydrophobicContact CD1-CB 3.87Å; I65-A72 HydrophobicContact CG1-CB 4.31Å; I65-I94 HydrophobicContact CG1-CG2 3.89Å; I65-I94 HydrophobicContact CG2-CD1 4.19Å; I65-I94 HydrophobicContact CG2-CG1 4.24Å; I65-M97 HydrophobicContact CG1-SD 4.24Å; I65-R103 HydrophobicContact CD1-CB 4.08Å; I65-R103 PolarHBondContact O-NH1 2.96Å; I65-R103 PolarHBondContact O-NH2 3.5Å; I65-L104 HydrophobicContact CD1-CB 4.37Å
66V93.3Very high94.6Very high30 Ų3021.9 Ų21.918%0.18211%0.111CC..G310 helixtrans-66.6-25176.4-54.80000112.7Y56 F58 S63 G64 M97Y56-V66 HydrophobicContact CD1-CG1 4.16Å; Y56-V66 HydrophobicContact CD2-CG1 3.89Å; Y56-V66 HydrophobicContact CE1-CG1 4.29Å; Y56-V66 HydrophobicContact CE2-CG1 4.04Å; Y56-V66 HydrophobicContact CG-CG1 3.94Å; F58-V66 HydrophobicContact CE2-CG1 3.82Å; F58-V66 HydrophobicContact CZ-CG1 3.5Å; F58-V66 VanDerWaalsContact CZ-CG1 3.5Å; S63-V66 WeakPolarHBondContact O-CG2 3.38Å; S63-V66 PolarHBondContact O-N 3.16Å; G64-V66 PolarHBondContact O-N 2.88Å; V66-M97 HydrophobicContact CG1-CE 4.46Å
67H92.5Very high95Very high32 Ų3220.6 Ų20.615%0.14811%0.107CC..SBendtrans-84.3115.3177.1-64.6-80000108.9D27 G64 I65 N69 C70 R103D27-H67 PolarHBondContact O-NE2 2.99Å; D27-H67 IonicContact OD1-CD2 2.71Å; D27-H67 IonicContact OD1-CE1 3.28Å; D27-H67 PolarHBondContact OD1-CE1 3.26Å; D27-H67 IonicContact OD1-NE2 3Å; D27-H67 PolarHBondContact OD1-NE2 2.88Å; G64-H67 WeakPolarHBondContact O-CB 3.48Å; G64-H67 PolarHBondContact O-N 3.46Å; I65-H67 PolarHBondContact O-N 3.38Å; H67-N69 PolarHBondContact O-N 3.29Å; H67-C70 HydrophobicContact CB-CB 3.78Å; H67-C70 WeakPolarHBondContact O-CB 3.33Å; H67-C70 PolarHBondContact O-N 3.27Å; H67-R103 PolarHBondContact O-NH1 2.82Å
68Q90.1Very high95.4Very high110 Ų11019.4 Ų19.451%0.51410%0.101SC..THydrogen-bonded Turntrans-56.7-30.5-168.9-171.9174.233.100114.3K98 R103Q68-K98 HydrophobicContact CG-CB 4.46Å; Q68-R103 WeakPolarHBondContact O-CD 3.32Å; Q68-R103 PolarHBondContact O-NE 3.35Å
69N90.3Very high95.6Very high149 Ų14919.5 Ų19.580%0.79710%0.102SC*.THydrogen-bonded Turntrans-94.3-1.6-179.1-62-32.4000113.5H67H67-N69 PolarHBondContact O-N 3.29Å
70C95.5Very high96Very high2 Ų218.1 Ų18.11%0.01410%0.096CC..PPolyproline II helixtrans-95.2137.2-177.2-167.30000111.1A33 V36 G64 H67 R103A33-C70 PolarHBondContact O-SG 3.08Å; V36-C70 WeakPolarHBondContact CG2-SG 3.21Å; G64-C70 WeakPolarHBondContact O-CB 3.49Å; H67-C70 HydrophobicContact CB-CB 3.78Å; H67-C70 WeakPolarHBondContact O-CB 3.33Å; H67-C70 PolarHBondContact O-N 3.27Å; C70-R103 PolarHBondContact O-NH1 2.81Å; C70-R103 VanDerWaalsContact O-NH1 3.15Å
71V98.2Very high96.1Very high21 Ų2118.4 Ų18.413%0.12710%0.097CC..EExtended strand (participates in β ladder)trans-88.6126.3169.1172.10000108.8D34 I35 V36 R103 I105 Y213D34-V71 PolarHBondContact O-N 3.2Å; I35-V71 CarbonylContact C-O 3.57Å; I35-V71 VanDerWaalsContact CA-O 3.3Å; I35-V71 WeakPolarHBondContact CA-O 3.11Å; I35-V71 HydrophobicContact CG1-CB 4.16Å; I35-V71 HydrophobicContact CG2-CG1 4.49Å; V36-V71 PolarHBondContact N-O 3.07Å; V71-R103 CarbonylContact C-O 3.43Å; V71-R103 VanDerWaalsContact CA-O 3.27Å; V71-R103 WeakPolarHBondContact CA-O 3.4Å; V71-R103 VanDerWaalsContact CG1-O 3.28Å; V71-R103 WeakPolarHBondContact CG1-O 3.37Å; V71-I105 HydrophobicContact CG1-CD1 3.63Å; V71-I105 HydrophobicContact CG1-CG1 4.1Å; V71-Y213 HydrophobicContact CG1-CE1 4.23Å
72A98.3Very high96.2Very high0 Ų018.4 Ų18.40%010%0.097CC..EExtended strand (participates in β ladder)trans-94.1116.5172.100000109.6V36 V61 P62 I65 R103 L104 I105V36-A72 WeakPolarHBondContact O-CA 3.42Å; V61-A72 HydrophobicContact CG1-CB 4.47Å; P62-A72 HydrophobicContact CB-CB 4.06Å; P62-A72 HydrophobicContact CG-CB 4.05Å; I65-A72 HydrophobicContact CB-CB 3.78Å; I65-A72 HydrophobicContact CD1-CB 3.87Å; I65-A72 HydrophobicContact CG1-CB 4.31Å; A72-R103 PolarHBondContact N-O 3.31Å; A72-L104 HydrophobicContact CB-CD1 4.1Å; A72-L104 WeakPolarHBondContact O-CA 3.45Å; A72-I105 PolarHBondContact O-N 3.01Å
73L98.7Very high96.3Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-113126.7-177.2-175.2148.8000111.5I35 V36 A37 R38 P62 I105 T210 Y213 L214 L260I35-L73 HydrophobicContact CG2-CB 4.04Å; V36-L73 PolarHBondContact O-N 3.08Å; A37-L73 CarbonylContact C-O 3.52Å; A37-L73 VanDerWaalsContact CA-O 3.24Å; A37-L73 WeakPolarHBondContact CA-O 3.46Å; A37-L73 HydrophobicContact CB-CB 4.22Å; A37-L73 HydrophobicContact CB-CD2 4Å; R38-L73 PolarHBondContact N-O 3.4Å; P62-L73 VanDerWaalsContact CG-O 3.27Å; P62-L73 WeakPolarHBondContact CG-O 3.21Å; L73-I105 CarbonylContact C-O 3.53Å; L73-I105 WeakPolarHBondContact CA-O 3.44Å; L73-I105 HydrophobicContact CD1-CG2 4.48Å; L73-I105 HydrophobicContact CG-CB 4.49Å; L73-T210 HydrophobicContact CD1-CG2 3.92Å; L73-T210 HydrophobicContact CD2-CG2 4.07Å; L73-T210 HydrophobicContact CG-CG2 3.92Å; L73-Y213 HydrophobicContact CD1-CD1 3.69Å; L73-Y213 HydrophobicContact CD1-CE1 4.16Å; L73-L214 HydrophobicContact CD1-CD1 4.32Å; L73-L214 HydrophobicContact CD1-CD2 3.96Å; L73-L214 HydrophobicContact CD1-CG 3.89Å; L73-L214 HydrophobicContact CD2-CD1 4.19Å; L73-L260 HydrophobicContact CD2-CD2 3.96Å
74I98.6Very high96.5Very high0 Ų021.1 Ų21.10%012%0.115CC..EExtended strand (participates in β ladder)trans-99.3110.2172.6-61.5162.3000108.4I60 P62 T78 I80 F85 L104 I105 I106 S107I60-I74 HydrophobicContact CG2-CD1 3.87Å; P62-I74 HydrophobicContact CG-CG1 4.3Å; I74-T78 HydrophobicContact CG2-CG2 3.81Å; I74-I80 HydrophobicContact CG2-CD1 3.68Å; I74-I80 HydrophobicContact CG2-CG1 4.13Å; I74-F85 HydrophobicContact CD1-CD2 4.25Å; I74-F85 HydrophobicContact CD1-CE2 3.85Å; I74-L104 HydrophobicContact CD1-CD1 4.23Å; I74-I105 PolarHBondContact N-O 3.46Å; I74-I106 HydrophobicContact CD1-CG1 4.14Å; I74-S107 VanDerWaalsContact O-CB 3.29Å; I74-S107 WeakPolarHBondContact O-CB 3.49Å; I74-S107 PolarHBondContact O-N 3.24Å
75G98.4Very high96.7Very high0 Ų021.1 Ų21.10%012%0.115CC..  trans-74.6166.7-175.800000114.8R38 G77 T78 G259R38-G75 VanDerWaalsContact O-CA 3.29Å; R38-G75 WeakPolarHBondContact O-CA 3.43Å; R38-G75 PolarHBondContact O-N 3.45Å; G75-G77 PolarHBondContact O-N 3.11Å; G75-T78 WeakPolarHBondContact O-CB 3.38Å; G75-T78 PolarHBondContact O-N 3.09Å; G75-T78 VanDerWaalsContact O-N 3.12Å; G75-T78 PolarHBondContact O-OG1 2.72Å; G75-G259 CarbonylContact C-O 3.46Å
76N98Very high96.8Very high30 Ų3021.7 Ų21.716%0.1612%0.118CC..THydrogen-bonded Turntrans-68-19.6-177.860.8-88.5000114.2T78 R109 T258 G259N76-T78 VanDerWaalsContact C-N 3.29Å; N76-R109 HydrophobicContact CB-CB 3.63Å; N76-T258 PolarHBondContact ND2-O 3.07Å; N76-G259 VanDerWaalsContact CG-O 3.27Å; N76-G259 PolarHBondContact N-O 2.83Å; N76-G259 PolarHBondContact OD1-O 3.5Å
77G97Very high97Very high5 Ų524 Ų245%0.05214%0.135CC..THydrogen-bonded Turntrans-77.8-14.2174.200000113.5C39 G75 Y144 G259C39-G77 CarbonylContact O-C 3.48Å; C39-G77 VanDerWaalsContact O-C 3.27Å; C39-G77 WeakPolarHBondContact O-CA 3.49Å; G75-G77 PolarHBondContact O-N 3.11Å; G77-Y144 PolarHBondContact O-OH 3.12Å; G77-G259 PolarHBondContact N-O 3.43Å
78T98Very high97.2Very high1 Ų123 Ų231%0.00613%0.131CC..  trans-78.7142177.4-48.10000111R38 G41 I74 G75 N76 I80 A110R38-T78 PolarHBondContact O-OG1 2.95Å; G41-T78 CarbonylContact O-C 3.56Å; G41-T78 WeakPolarHBondContact O-CA 3.47Å; G41-T78 WeakPolarHBondContact O-CG2 3.49Å; I74-T78 HydrophobicContact CG2-CG2 3.81Å; G75-T78 WeakPolarHBondContact O-CB 3.38Å; G75-T78 PolarHBondContact O-N 3.09Å; G75-T78 VanDerWaalsContact O-N 3.12Å; G75-T78 PolarHBondContact O-OG1 2.72Å; N76-T78 VanDerWaalsContact C-N 3.29Å; T78-I80 HydrophobicContact CG2-CG1 4.42Å; T78-A110 WeakPolarHBondContact O-CB 3.33Å
79V98.4Very high97.6Very high1 Ų117.9 Ų17.91%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-102.9132.7169.1-55.40000110.1G41 G42 H111 V113 I140 T143 Y144G41-V79 PolarHBondContact O-N 3.36Å; G42-V79 WeakPolarHBondContact CA-O 3.48Å; V79-H111 CarbonylContact C-O 3.53Å; V79-H111 WeakPolarHBondContact CA-O 3.38Å; V79-H111 HydrophobicContact CG1-CB 4.16Å; V79-V113 HydrophobicContact CB-CG2 3.74Å; V79-V113 HydrophobicContact CG2-CG2 3.64Å; V79-I140 HydrophobicContact CG2-CD1 3.56Å; V79-I140 HydrophobicContact CG2-CG2 4.27Å; V79-T143 HydrophobicContact CB-CG2 3.92Å; V79-T143 HydrophobicContact CG1-CG2 3.83Å; V79-Y144 HydrophobicContact CG1-CD1 4.35Å; V79-Y144 HydrophobicContact CG1-CD2 4.03Å; V79-Y144 HydrophobicContact CG1-CE1 4.03Å; V79-Y144 HydrophobicContact CG1-CE2 3.7Å; V79-Y144 HydrophobicContact CG1-CG 4.34Å; V79-Y144 HydrophobicContact CG2-CD2 4.46Å; V79-Y144 HydrophobicContact CG2-CE2 3.97Å
80I98.6Very high97.9Very high0 Ų015.6 Ų15.60%09%0.091CC..EExtended strand (participates in β ladder)trans-118.5117.9-167.3-55.3176.4000110.1I60 I74 T78 L82 F85 I106 A110 H111 I112 V113 I155I60-I80 HydrophobicContact CD1-CG2 4.4Å; I60-I80 HydrophobicContact CG2-CG1 4.39Å; I60-I80 HydrophobicContact CG2-CG2 4.34Å; I74-I80 HydrophobicContact CG2-CD1 3.68Å; I74-I80 HydrophobicContact CG2-CG1 4.13Å; T78-I80 HydrophobicContact CG2-CG1 4.42Å; I80-L82 HydrophobicContact CG2-CD2 3.93Å; I80-F85 HydrophobicContact CG2-CB 4.05Å; I80-F85 HydrophobicContact CG2-CG 4.41Å; I80-I106 HydrophobicContact CD1-CG2 3.47Å; I80-I106 VanDerWaalsContact CD1-CG2 3.47Å; I80-A110 HydrophobicContact CD1-CB 3.58Å; I80-A110 HydrophobicContact CG1-CB 4.11Å; I80-H111 PolarHBondContact N-O 2.81Å; I80-I112 WeakPolarHBondContact O-CA 3.44Å; I80-V113 PolarHBondContact O-N 2.83Å; I80-I155 HydrophobicContact CD1-CG1 4.44Å
81H98.5Very high97.9Very high5 Ų521.6 Ų21.62%0.02312%0.117CC..EExtended strand (participates in β ladder)trans-86.8105.1164.8-173.3-119.4000109.1H43 P83 S84 F85 V113 D115 Q118H43-H81 VanDerWaalsContact CE1-CB 3.44Å; H43-H81 WeakPolarHBondContact CE1-CB 3.21Å; H81-P83 VanDerWaalsContact CE1-CB 3.49Å; H81-P83 WeakPolarHBondContact CE1-CB 3.35Å; H81-P83 VanDerWaalsContact CE1-CG 3.44Å; H81-P83 WeakPolarHBondContact CE1-CG 3.2Å; H81-P83 WeakPolarHBondContact NE2-CD 3.38Å; H81-S84 WeakPolarHBondContact ND1-CB 3.39Å; H81-S84 PolarHBondContact ND1-N 3.09Å; H81-S84 PolarHBondContact ND1-OG 3.35Å; H81-S84 PolarHBondContact O-N 3.34Å; H81-S84 VanDerWaalsContact O-N 3.16Å; H81-F85 WeakPolarHBondContact O-CB 3.25Å; H81-F85 PolarHBondContact O-N 3.3Å; H81-V113 HydrophobicContact CB-CB 3.88Å; H81-V113 HydrophobicContact CB-CG1 4.3Å; H81-V113 HydrophobicContact CB-CG2 4.48Å; H81-V113 PolarHBondContact CD2-O 3.29Å; H81-V113 VanDerWaalsContact CD2-O 3.3Å; H81-D115 IonicContact CE1-OD1 3.9Å; H81-D115 PolarHBondContact CE1-OD1 3.35Å; H81-D115 IonicContact NE2-OD1 3.26Å; H81-D115 PolarHBondContact NE2-OD1 3.33Å; H81-Q118 PolarHBondContact CE1-NE2 3.16Å; H81-Q118 PolarHBondContact ND1-NE2 3.3Å; H81-Q118 PolarHBondContact NE2-NE2 3.46Å
82L98.8Very high97.8Very high0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-58.9-42.6-173.5-67.9177.1000113.9I80 S84 F85 F86 I155 L158 Y194 Y197 L201I80-L82 HydrophobicContact CG2-CD2 3.93Å; L82-S84 PolarHBondContact O-N 3.07Å; L82-F85 PolarHBondContact O-N 2.85Å; L82-F86 WeakPolarHBondContact O-CD2 3.29Å; L82-F86 PolarHBondContact O-N 3.35Å; L82-I155 HydrophobicContact CD2-CD1 4.06Å; L82-L158 HydrophobicContact CD1-CD2 3.45Å; L82-L158 VanDerWaalsContact CD1-CD2 3.45Å; L82-Y194 HydrophobicContact CB-CE1 4.49Å; L82-Y194 HydrophobicContact CD1-CD1 3.97Å; L82-Y194 HydrophobicContact CD1-CE1 3.86Å; L82-Y194 HydrophobicContact CG-CE1 4.45Å; L82-Y197 HydrophobicContact CB-CD2 3.97Å; L82-Y197 HydrophobicContact CB-CE2 4.23Å; L82-Y197 HydrophobicContact CB-CG 4.14Å; L82-Y197 HydrophobicContact CD1-CD2 4.29Å; L82-Y197 HydrophobicContact CD1-CG 4.23Å; L82-L201 HydrophobicContact CD1-CD1 4.2Å; L82-L201 HydrophobicContact CD2-CD1 4.06Å
83P98.3Very high97.6Very high28 Ų2821.7 Ų21.718%0.18212%0.119CC..Hα-helixtrans-57.4-46.8173.2-22.529.9000113.1H81 F86 S87 Y197H81-P83 VanDerWaalsContact CE1-CB 3.49Å; H81-P83 WeakPolarHBondContact CE1-CB 3.35Å; H81-P83 VanDerWaalsContact CE1-CG 3.44Å; H81-P83 WeakPolarHBondContact CE1-CG 3.2Å; H81-P83 WeakPolarHBondContact NE2-CD 3.38Å; P83-F86 PolarHBondContact O-N 2.97Å; P83-S87 WeakPolarHBondContact O-CB 3.39Å; P83-S87 PolarHBondContact O-N 3.24Å; P83-Y197 WeakPolarHBondContact CA-OH 3.38Å; P83-Y197 HydrophobicContact CG-CE2 3.87Å; P83-Y197 WeakPolarHBondContact CG-OH 3.44Å
84S97.2Very high97.5Very high30 Ų3021.7 Ų21.721%0.2112%0.119CC..Hα-helixtrans-64.7-41.6177.6-640000111.6H43 H81 L82 S87 E88H43-S84 PolarHBondContact CD2-OG 2.91Å; H81-S84 WeakPolarHBondContact ND1-CB 3.39Å; H81-S84 PolarHBondContact ND1-N 3.09Å; H81-S84 PolarHBondContact ND1-OG 3.35Å; H81-S84 PolarHBondContact O-N 3.34Å; H81-S84 VanDerWaalsContact O-N 3.16Å; L82-S84 PolarHBondContact O-N 3.07Å; S84-S87 PolarHBondContact O-N 3.03Å; S84-E88 VanDerWaalsContact O-CB 3.32Å; S84-E88 WeakPolarHBondContact O-CB 3.5Å; S84-E88 PolarHBondContact O-N 3.5Å
85F98.4Very high97.4Very high0 Ų023.6 Ų23.60%013%0.13CC..Hα-helixtrans-58.2-51.5177.2167.4-100.1000111.3I60 V61 I74 I80 H81 L82 S87 E88 L89 L104 I106 L206I60-F85 HydrophobicContact CD1-CB 3.9Å; I60-F85 HydrophobicContact CG2-CD2 4.05Å; V61-F85 HydrophobicContact CG2-CD2 4.01Å; V61-F85 HydrophobicContact CG2-CE2 3.84Å; I74-F85 HydrophobicContact CD1-CD2 4.25Å; I74-F85 HydrophobicContact CD1-CE2 3.85Å; I80-F85 HydrophobicContact CG2-CB 4.05Å; I80-F85 HydrophobicContact CG2-CG 4.41Å; H81-F85 WeakPolarHBondContact O-CB 3.25Å; H81-F85 PolarHBondContact O-N 3.3Å; L82-F85 PolarHBondContact O-N 2.85Å; F85-S87 VanDerWaalsContact C-N 3.35Å; F85-S87 PolarHBondContact O-N 3.13Å; F85-E88 WeakPolarHBondContact O-CB 3.26Å; F85-E88 PolarHBondContact O-N 3.17Å; F85-L89 HydrophobicContact CE1-CD1 3.84Å; F85-L89 HydrophobicContact CE1-CG 4.35Å; F85-L89 HydrophobicContact CE2-CD2 4.18Å; F85-L89 HydrophobicContact CZ-CD1 3.91Å; F85-L89 HydrophobicContact CZ-CD2 4.13Å; F85-L89 HydrophobicContact CZ-CG 4.23Å; F85-L89 WeakPolarHBondContact O-CG 3.39Å; F85-L89 PolarHBondContact O-N 3.34Å; F85-L89 VanDerWaalsContact O-N 3.07Å; F85-L104 HydrophobicContact CE2-CD2 3.93Å; F85-L104 HydrophobicContact CZ-CD2 3.69Å; F85-I106 HydrophobicContact CE1-CD1 3.88Å; F85-I106 HydrophobicContact CE2-CD1 4.11Å; F85-I106 HydrophobicContact CZ-CD1 3.56Å; F85-I106 HydrophobicContact CZ-CG1 4.36Å; F85-L206 HydrophobicContact CE1-CD1 4.3Å; F85-L206 HydrophobicContact CZ-CD1 4.19Å
86F98.4Very high97.2Very high12 Ų1231.7 Ų31.75%0.05317%0.165CC..Hα-helixtrans-66.5-36.3178.5-76.8-66000112.5L82 P83 E88 L89 E90 Y197 K200 L201 L204L82-F86 WeakPolarHBondContact O-CD2 3.29Å; L82-F86 PolarHBondContact O-N 3.35Å; P83-F86 PolarHBondContact O-N 2.97Å; F86-E88 VanDerWaalsContact C-N 3.3Å; F86-E88 PolarHBondContact O-N 3.28Å; F86-L89 HydrophobicContact CD1-CD1 3.99Å; F86-L89 HydrophobicContact CE1-CD1 4.37Å; F86-L89 PolarHBondContact O-N 3.04Å; F86-E90 PolarHBondContact O-N 3.35Å; F86-Y197 AromaticContact CD2-CD1 3.42Å; F86-Y197 HydrophobicContact CD2-CD1 3.42Å; F86-Y197 VanDerWaalsContact CD2-CD1 3.42Å; F86-Y197 AromaticContact CD2-CE1 3.41Å; F86-Y197 HydrophobicContact CD2-CE1 3.41Å; F86-Y197 VanDerWaalsContact CD2-CE1 3.41Å; F86-Y197 HydrophobicContact CD2-CG 4.45Å; F86-Y197 AromaticContact CE2-CD1 3.31Å; F86-Y197 HydrophobicContact CE2-CD1 3.31Å; F86-Y197 AromaticContact CE2-CE1 3.85Å; F86-Y197 HydrophobicContact CE2-CE1 3.85Å; F86-Y197 HydrophobicContact CE2-CG 4.12Å; F86-Y197 HydrophobicContact CG-CE1 4.32Å; F86-Y197 HydrophobicContact CZ-CD1 4.37Å; F86-K200 HydrophobicContact CD1-CD 3.97Å; F86-K200 HydrophobicContact CE1-CD 3.53Å; F86-K200 VanDerWaalsContact CE1-CE 3.48Å; F86-K200 HydrophobicContact CE1-CG 3.83Å; F86-K200 HydrophobicContact CE2-CD 4.38Å; F86-K200 HydrophobicContact CZ-CB 4.24Å; F86-K200 HydrophobicContact CZ-CD 3.76Å; F86-K200 HydrophobicContact CZ-CG 3.86Å; F86-L201 HydrophobicContact CZ-CD2 3.99Å; F86-L201 HydrophobicContact CZ-CG 4.2Å; F86-L204 HydrophobicContact CE1-CD1 4.08Å
87S97.6Very high97.1Very high79 Ų7931.8 Ų31.855%0.55217%0.165SC*.Hα-helixtrans-62.5-37.7172.9-1750000112P83 S84 F85 E90 K91P83-S87 WeakPolarHBondContact O-CB 3.39Å; P83-S87 PolarHBondContact O-N 3.24Å; S84-S87 PolarHBondContact O-N 3.03Å; F85-S87 VanDerWaalsContact C-N 3.35Å; F85-S87 PolarHBondContact O-N 3.13Å; S87-E90 PolarHBondContact O-N 3.42Å; S87-K91 WeakPolarHBondContact O-CB 3.28Å; S87-K91 PolarHBondContact O-N 2.91Å
88E96.4Very high96.9Very high11 Ų1137.9 Ų37.95%0.05119%0.19CC..Hα-helixtrans-66.5-38177.4-173.4178157.100111.6F58 H59 I60 V61 S84 F85 F86 E90 N92F58-E88 WeakPolarHBondContact CA-OE1 3.49Å; H59-E88 VanDerWaalsContact N-CD 3.33Å; H59-E88 PolarHBondContact N-OE1 3Å; H59-E88 PolarHBondContact N-OE2 3.1Å; I60-E88 PolarHBondContact N-OE1 3.29Å; I60-E88 PolarHBondContact N-OE2 3.42Å; V61-E88 WeakPolarHBondContact CB-OE1 3.43Å; V61-E88 HydrophobicContact CG2-CG 4.43Å; V61-E88 PolarHBondContact N-OE1 3.46Å; S84-E88 VanDerWaalsContact O-CB 3.32Å; S84-E88 WeakPolarHBondContact O-CB 3.5Å; S84-E88 PolarHBondContact O-N 3.5Å; F85-E88 WeakPolarHBondContact O-CB 3.26Å; F85-E88 PolarHBondContact O-N 3.17Å; F86-E88 VanDerWaalsContact C-N 3.3Å; F86-E88 PolarHBondContact O-N 3.28Å; E88-E90 VanDerWaalsContact C-N 3.31Å; E88-E90 PolarHBondContact O-N 3.26Å; E88-N92 WeakPolarHBondContact CG-ND2 3.47Å; E88-N92 WeakPolarHBondContact O-CB 3.26Å; E88-N92 PolarHBondContact O-N 3.04Å
89L97.8Very high96.8Very high1 Ų142 Ų421%0.00521%0.212CC..Hα-helixtrans-57.2-43.8173.5-61.2-172000112.1V61 F85 F86 S93 I94 T95 W100 L104V61-L89 HydrophobicContact CG2-CD2 3.91Å; F85-L89 HydrophobicContact CE1-CD1 3.84Å; F85-L89 HydrophobicContact CE1-CG 4.35Å; F85-L89 HydrophobicContact CE2-CD2 4.18Å; F85-L89 HydrophobicContact CZ-CD1 3.91Å; F85-L89 HydrophobicContact CZ-CD2 4.13Å; F85-L89 HydrophobicContact CZ-CG 4.23Å; F85-L89 WeakPolarHBondContact O-CG 3.39Å; F85-L89 PolarHBondContact O-N 3.34Å; F85-L89 VanDerWaalsContact O-N 3.07Å; F86-L89 HydrophobicContact CD1-CD1 3.99Å; F86-L89 HydrophobicContact CE1-CD1 4.37Å; F86-L89 PolarHBondContact O-N 3.04Å; L89-S93 CarbonylContact O-C 3.56Å; L89-S93 WeakPolarHBondContact O-CA 3.42Å; L89-S93 PolarHBondContact O-N 3.49Å; L89-I94 HydrophobicContact CB-CB 4.5Å; L89-I94 HydrophobicContact CD2-CB 4.08Å; L89-I94 HydrophobicContact CD2-CD1 3.68Å; L89-I94 HydrophobicContact CD2-CG1 4.49Å; L89-I94 HydrophobicContact CD2-CG2 4Å; L89-I94 PolarHBondContact O-N 3.06Å; L89-T95 HydrophobicContact CB-CG2 4.05Å; L89-W100 HydrophobicContact CD1-CH2 4.06Å; L89-W100 HydrophobicContact CD1-CZ3 3.88Å; L89-L104 HydrophobicContact CD2-CD2 3.65Å
90E97.2Very high96.8Very high102 Ų10243.1 Ų43.148%0.47722%0.216SC..Hα-helixtrans-75.4-46.8179.9-59.1-54.2155.200112.2F86 S87 E88 N92 S93 T95F86-E90 PolarHBondContact O-N 3.35Å; S87-E90 PolarHBondContact O-N 3.42Å; E88-E90 VanDerWaalsContact C-N 3.31Å; E88-E90 PolarHBondContact O-N 3.26Å; E90-N92 VanDerWaalsContact C-N 3.28Å; E90-N92 PolarHBondContact O-N 3.17Å; E90-S93 WeakPolarHBondContact O-CA 3.19Å; E90-S93 PolarHBondContact O-N 3.28Å; E90-T95 WeakPolarHBondContact OE1-CG2 3.5Å; E90-T95 PolarHBondContact OE2-OG1 3.14Å
91K95.5Very high96.7Very high127 Ų12747.1 Ų47.155%0.55224%0.235SC*.Hα-helixtrans-54.9-44.9179.4-176.4-172.4174.1-173.10111.2D57 S87 S93D57-K91 IonicContact OD2-NZ 3.99Å; D57-K91 PolarHBondContact OD2-NZ 3.2Å; S87-K91 WeakPolarHBondContact O-CB 3.28Å; S87-K91 PolarHBondContact O-N 2.91Å; K91-S93 VanDerWaalsContact C-N 3.29Å; K91-S93 PolarHBondContact O-N 2.94Å
92N95.3Very high96.5Very high4 Ų455.9 Ų55.92%0.02127%0.268CS..THydrogen-bonded Turntrans-87.43.3179-69-37.4000113.1R54 Y56 D57 F58 E88 E90 I94R54-N92 PolarHBondContact NH2-O 3.41Å; Y56-N92 HydrophobicContact CD1-CB 4.11Å; D57-N92 PolarHBondContact N-OD1 3.04Å; D57-N92 VanDerWaalsContact N-OD1 3.15Å; D57-N92 PolarHBondContact O-ND2 2.63Å; F58-N92 HydrophobicContact CE1-CB 4.34Å; E88-N92 WeakPolarHBondContact CG-ND2 3.47Å; E88-N92 WeakPolarHBondContact O-CB 3.26Å; E88-N92 PolarHBondContact O-N 3.04Å; E90-N92 VanDerWaalsContact C-N 3.28Å; E90-N92 PolarHBondContact O-N 3.17Å; N92-I94 HydrophobicContact CB-CD1 4.07Å; N92-I94 HydrophobicContact CB-CG1 3.96Å; N92-I94 PolarHBondContact O-N 3.38Å; N92-I94 VanDerWaalsContact O-N 3.14Å
93S95.4Very high96.5Very high20 Ų2056.9 Ų56.914%0.1427%0.272CS..THydrogen-bonded Turntrans48.934.7-175.5-53.60000114R54 L89 E90 K91 T95 K96R54-S93 PolarHBondContact NH2-OG 3.17Å; L89-S93 CarbonylContact O-C 3.56Å; L89-S93 WeakPolarHBondContact O-CA 3.42Å; L89-S93 PolarHBondContact O-N 3.49Å; E90-S93 WeakPolarHBondContact O-CA 3.19Å; E90-S93 PolarHBondContact O-N 3.28Å; K91-S93 VanDerWaalsContact C-N 3.29Å; K91-S93 PolarHBondContact O-N 2.94Å; S93-T95 PolarHBondContact O-N 3.19Å; S93-K96 PolarHBondContact O-N 3.28Å
94I96.2Very high96.5Very high0 Ų055.5 Ų55.50%026%0.263CS..G310 helixtrans-58.9-35.7176.3-66.3164.2000109.6F58 V61 I65 L89 N92 K96 M97 W100F58-I94 HydrophobicContact CE1-CD1 4.17Å; V61-I94 HydrophobicContact CB-CD1 4.2Å; V61-I94 HydrophobicContact CG1-CD1 3.94Å; V61-I94 HydrophobicContact CG2-CD1 4.1Å; I65-I94 HydrophobicContact CG1-CG2 3.89Å; I65-I94 HydrophobicContact CG2-CD1 4.19Å; I65-I94 HydrophobicContact CG2-CG1 4.24Å; L89-I94 HydrophobicContact CB-CB 4.5Å; L89-I94 HydrophobicContact CD2-CB 4.08Å; L89-I94 HydrophobicContact CD2-CD1 3.68Å; L89-I94 HydrophobicContact CD2-CG1 4.49Å; L89-I94 HydrophobicContact CD2-CG2 4Å; L89-I94 PolarHBondContact O-N 3.06Å; N92-I94 HydrophobicContact CB-CD1 4.07Å; N92-I94 HydrophobicContact CB-CG1 3.96Å; N92-I94 PolarHBondContact O-N 3.38Å; N92-I94 VanDerWaalsContact O-N 3.14Å; I94-K96 PolarHBondContact O-N 3.35Å; I94-K96 VanDerWaalsContact O-N 3.07Å; I94-M97 HydrophobicContact CB-SD 4.49Å; I94-M97 HydrophobicContact CG1-CE 4.15Å; I94-M97 HydrophobicContact CG1-SD 4.38Å; I94-M97 HydrophobicContact CG2-SD 4.46Å; I94-M97 WeakPolarHBondContact O-CB 3.21Å; I94-M97 PolarHBondContact O-N 2.91Å; I94-W100 HydrophobicContact CG2-CB 4.13Å; I94-W100 HydrophobicContact CG2-CD2 4.36Å; I94-W100 HydrophobicContact CG2-CE3 4.08Å; I94-W100 HydrophobicContact CG2-CG 4.43Å; I94-W100 VanDerWaalsContact O-CB 3.31Å; I94-W100 WeakPolarHBondContact O-CB 3.49Å; I94-W100 VanDerWaalsContact O-CG 3.24Å
95T95.8Very high96.6Very high39 Ų3954.1 Ų54.124%0.23925%0.253CS..G310 helixtrans-61-17.9178.356.50000114.4L89 E90 S93 W100L89-T95 HydrophobicContact CB-CG2 4.05Å; E90-T95 WeakPolarHBondContact OE1-CG2 3.5Å; E90-T95 PolarHBondContact OE2-OG1 3.14Å; S93-T95 PolarHBondContact O-N 3.19Å; T95-W100 HydrophobicContact CG2-CH2 4.23Å; T95-W100 HydrophobicContact CG2-CZ2 3.85Å; T95-W100 PolarHBondContact O-NE1 2.85Å; T95-W100 VanDerWaalsContact O-NE1 3.08Å
96K95.1Very high96.6Very high170 Ų17054.1 Ų54.174%0.73925%0.253SS*.G310 helixtrans-96.4-5.8177-56.6-176.2-176.8176.40113.1S93 I94S93-K96 PolarHBondContact O-N 3.28Å; I94-K96 PolarHBondContact O-N 3.35Å; I94-K96 VanDerWaalsContact O-N 3.07Å
97M95Very high96.6Very high33 Ų3353.6 Ų53.616%0.16325%0.251CS..SBendtrans-78.2146.5-179.3-60.3178.1-17900110.9Y56 I65 V66 I94 D99 W100Y56-M97 HydrophobicContact CE1-CE 3.85Å; I65-M97 HydrophobicContact CG1-SD 4.24Å; V66-M97 HydrophobicContact CG1-CE 4.46Å; I94-M97 HydrophobicContact CB-SD 4.49Å; I94-M97 HydrophobicContact CG1-CE 4.15Å; I94-M97 HydrophobicContact CG1-SD 4.38Å; I94-M97 HydrophobicContact CG2-SD 4.46Å; I94-M97 WeakPolarHBondContact O-CB 3.21Å; I94-M97 PolarHBondContact O-N 2.91Å; M97-D99 PolarHBondContact O-N 3.29Å; M97-W100 HydrophobicContact CB-CB 4.17Å; M97-W100 PolarHBondContact O-N 2.81Å
98K94.1Very high96.6Very high133 Ų13352 Ų5258%0.57824%0.235SC*.THydrogen-bonded Turntrans-55.7130.7177.5-170.1-173.1177.3-177.10110.9Q68 W100 R103Q68-K98 HydrophobicContact CG-CB 4.46Å; K98-W100 PolarHBondContact O-N 2.65Å; K98-R103 PolarHBondContact O-NE 2.95Å; K98-R103 PolarHBondContact O-NH2 2.96Å
99D95.5Very high96.7Very high88 Ų8857 Ų5747%0.47125%0.253SS..THydrogen-bonded Turntrans51.125.6174.6-58.5-44000114.8M97 Q101 R102 R103M97-D99 PolarHBondContact O-N 3.29Å; D99-Q101 PolarHBondContact O-N 3.3Å; D99-Q101 VanDerWaalsContact O-N 3.12Å; D99-R102 WeakPolarHBondContact O-CB 3.28Å; D99-R102 PolarHBondContact O-N 2.83Å; D99-R103 PolarHBondContact O-N 2.96Å
100W97Very high96.8Very high23 Ų2357 Ų579%0.08725%0.253CS..Hα-helixtrans-56.3-36.6-170.373.9-92.7000113.4L89 I94 T95 M97 K98 R102 R103 L104 L204 L206L89-W100 HydrophobicContact CD1-CH2 4.06Å; L89-W100 HydrophobicContact CD1-CZ3 3.88Å; I94-W100 HydrophobicContact CG2-CB 4.13Å; I94-W100 HydrophobicContact CG2-CD2 4.36Å; I94-W100 HydrophobicContact CG2-CE3 4.08Å; I94-W100 HydrophobicContact CG2-CG 4.43Å; I94-W100 VanDerWaalsContact O-CB 3.31Å; I94-W100 WeakPolarHBondContact O-CB 3.49Å; I94-W100 VanDerWaalsContact O-CG 3.24Å; T95-W100 HydrophobicContact CG2-CH2 4.23Å; T95-W100 HydrophobicContact CG2-CZ2 3.85Å; T95-W100 PolarHBondContact O-NE1 2.85Å; T95-W100 VanDerWaalsContact O-NE1 3.08Å; M97-W100 HydrophobicContact CB-CB 4.17Å; M97-W100 PolarHBondContact O-N 2.81Å; K98-W100 PolarHBondContact O-N 2.65Å; W100-R102 PolarHBondContact O-N 3.22Å; W100-R103 CarbonylContact O-C 3.55Å; W100-R103 PolarHBondContact O-N 3.13Å; W100-L104 HydrophobicContact CE3-CD2 4.36Å; W100-L104 HydrophobicContact CZ3-CD2 4.24Å; W100-L104 WeakPolarHBondContact O-CB 3.43Å; W100-L104 PolarHBondContact O-N 3.26Å; W100-L204 HydrophobicContact CH2-CD1 4.05Å; W100-L204 HydrophobicContact CH2-CD2 4.08Å; W100-L204 HydrophobicContact CZ2-CD2 4.15Å; W100-L206 HydrophobicContact CZ3-CD1 4.19Å; W100-L206 HydrophobicContact CZ3-CD2 4.02Å
101Q96.5Very high96.9Very high84 Ų8453 Ų5339%0.39324%0.235SC..Hα-helixtrans-62.9-30.7178-64.4173.3-5.600112.4D99 L204 L206D99-Q101 PolarHBondContact O-N 3.3Å; D99-Q101 VanDerWaalsContact O-N 3.12Å; Q101-L204 HydrophobicContact CG-CD2 4.16Å; Q101-L206 HydrophobicContact CB-CD2 4.25Å
102R96Very high97Very high189 Ų18947 Ų4771%0.71321%0.209SC*.Hα-helixtrans-80.7-25.6176.1-64.4-176.2174.3-161.3-1.1112.2D99 W100D99-R102 WeakPolarHBondContact O-CB 3.28Å; D99-R102 PolarHBondContact O-N 2.83Å; W100-R102 PolarHBondContact O-N 3.22Å
103R97.4Very high97.2Very high21 Ų2146.9 Ų46.98%0.07921%0.208CC..Hα-helixtrans-92.1-22.8-176.6-62.4-171.1-56.9114.7-0.5113.6I65 H67 Q68 C70 V71 A72 K98 D99 W100I65-R103 HydrophobicContact CD1-CB 4.08Å; I65-R103 PolarHBondContact O-NH1 2.96Å; I65-R103 PolarHBondContact O-NH2 3.5Å; H67-R103 PolarHBondContact O-NH1 2.82Å; Q68-R103 WeakPolarHBondContact O-CD 3.32Å; Q68-R103 PolarHBondContact O-NE 3.35Å; C70-R103 PolarHBondContact O-NH1 2.81Å; C70-R103 VanDerWaalsContact O-NH1 3.15Å; V71-R103 CarbonylContact C-O 3.43Å; V71-R103 VanDerWaalsContact CA-O 3.27Å; V71-R103 WeakPolarHBondContact CA-O 3.4Å; V71-R103 VanDerWaalsContact CG1-O 3.28Å; V71-R103 WeakPolarHBondContact CG1-O 3.37Å; A72-R103 PolarHBondContact N-O 3.31Å; K98-R103 PolarHBondContact O-NE 2.95Å; K98-R103 PolarHBondContact O-NH2 2.96Å; D99-R103 PolarHBondContact O-N 2.96Å; W100-R103 CarbonylContact O-C 3.55Å; W100-R103 PolarHBondContact O-N 3.13Å
104L98.6Very high97.3Very high0 Ų045.9 Ų45.90%020%0.201CC..EExtended strand (participates in β ladder)trans-96.4119.4177.3-178.158000110.4V61 I65 A72 I74 F85 L89 W100 L206V61-L104 HydrophobicContact CG1-CD1 3.95Å; I65-L104 HydrophobicContact CD1-CB 4.37Å; A72-L104 HydrophobicContact CB-CD1 4.1Å; A72-L104 WeakPolarHBondContact O-CA 3.45Å; I74-L104 HydrophobicContact CD1-CD1 4.23Å; F85-L104 HydrophobicContact CE2-CD2 3.93Å; F85-L104 HydrophobicContact CZ-CD2 3.69Å; L89-L104 HydrophobicContact CD2-CD2 3.65Å; W100-L104 HydrophobicContact CE3-CD2 4.36Å; W100-L104 HydrophobicContact CZ3-CD2 4.24Å; W100-L104 WeakPolarHBondContact O-CB 3.43Å; W100-L104 PolarHBondContact O-N 3.26Å; L104-L206 HydrophobicContact CB-CD2 4.45Å
105I98.6Very high97.4Very high0 Ų048.6 Ų48.60%022%0.215CC..EExtended strand (participates in β ladder)trans-122.4130.8-178.3-58.5175.2000109.5V71 A72 L73 I74 L206 R208 T210 Y213V71-I105 HydrophobicContact CG1-CD1 3.63Å; V71-I105 HydrophobicContact CG1-CG1 4.1Å; A72-I105 PolarHBondContact O-N 3.01Å; L73-I105 CarbonylContact C-O 3.53Å; L73-I105 WeakPolarHBondContact CA-O 3.44Å; L73-I105 HydrophobicContact CD1-CG2 4.48Å; L73-I105 HydrophobicContact CG-CB 4.49Å; I74-I105 PolarHBondContact N-O 3.46Å; I105-L206 CarbonylContact C-O 3.6Å; I105-L206 WeakPolarHBondContact CA-O 3.44Å; I105-R208 HydrophobicContact CG2-CB 3.85Å; I105-R208 HydrophobicContact CG2-CG 4.03Å; I105-T210 HydrophobicContact CG2-CG2 3.87Å; I105-Y213 HydrophobicContact CD1-CD1 3.99Å; I105-Y213 HydrophobicContact CD1-CD2 3.96Å; I105-Y213 HydrophobicContact CD1-CE1 3.57Å; I105-Y213 HydrophobicContact CD1-CE2 3.54Å; I105-Y213 HydrophobicContact CD1-CG 4.17Å
106I98.8Very high97.6Very high0 Ų046.9 Ų46.90%021%0.205CC..EExtended strand (participates in β ladder)trans-111.5132.3176-56.1171.3000108.8I74 I80 F85 E108 I155 L201 L206 V207 R208I74-I106 HydrophobicContact CD1-CG1 4.14Å; I80-I106 HydrophobicContact CD1-CG2 3.47Å; I80-I106 VanDerWaalsContact CD1-CG2 3.47Å; F85-I106 HydrophobicContact CE1-CD1 3.88Å; F85-I106 HydrophobicContact CE2-CD1 4.11Å; F85-I106 HydrophobicContact CZ-CD1 3.56Å; F85-I106 HydrophobicContact CZ-CG1 4.36Å; I106-E108 PolarHBondContact O-N 3.3Å; I106-I155 HydrophobicContact CG2-CG1 4.16Å; I106-L201 HydrophobicContact CD1-CD2 3.79Å; I106-L206 HydrophobicContact CD1-CB 4.05Å; I106-L206 HydrophobicContact CD1-CD1 4.3Å; I106-L206 HydrophobicContact CG1-CB 4.36Å; I106-L206 PolarHBondContact N-O 3.02Å; I106-V207 HydrophobicContact CB-CG2 4.49Å; I106-V207 WeakPolarHBondContact O-CA 3.42Å; I106-R208 PolarHBondContact O-N 2.99Å
107S98.8Very high97.7Very high1 Ų138.9 Ų38.91%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-64.6126.9171.7-167.20000111.2I74 R109 A110 T210I74-S107 VanDerWaalsContact O-CB 3.29Å; I74-S107 WeakPolarHBondContact O-CB 3.49Å; I74-S107 PolarHBondContact O-N 3.24Å; S107-R109 PolarHBondContact O-N 3.47Å; S107-R109 PolarHBondContact OG-N 3.1Å; S107-A110 WeakPolarHBondContact O-CB 3.43Å; S107-A110 PolarHBondContact O-N 3.48Å; S107-A110 VanDerWaalsContact O-N 3.09Å; S107-T210 VanDerWaalsContact CA-CG2 3.47Å; S107-T210 VanDerWaalsContact CB-OG1 3.28Å; S107-T210 WeakPolarHBondContact CB-OG1 3.39Å; S107-T210 PolarHBondContact OG-OG1 2.79Å
108E98.5Very high97.8Very high47 Ų4739.1 Ų39.122%0.2217%0.171CC..THydrogen-bonded Turntrans-55.2-21.3168.376.3-166.4-172.600112I106 A156 V207 R208 N209I106-E108 PolarHBondContact O-N 3.3Å; E108-A156 HydrophobicContact CB-CB 4.13Å; E108-A156 VanDerWaalsContact O-CB 3.28Å; E108-A156 WeakPolarHBondContact O-CB 3.35Å; E108-A156 PolarHBondContact O-N 2.86Å; E108-V207 HydrophobicContact CB-CG1 3.72Å; E108-R208 PolarHBondContact N-O 3.36Å; E108-R208 VanDerWaalsContact N-O 3.17Å; E108-N209 PolarHBondContact OE2-N 3.38Å
109R98.6Very high97.9Very high116 Ų11636.2 Ų36.244%0.43816%0.164SC..THydrogen-bonded Turntrans-96.4-2.5-177.3-62.1177.2-175.4-110.3-9.1114.3N76 S107 R154N76-R109 HydrophobicContact CB-CB 3.63Å; S107-R109 PolarHBondContact O-N 3.47Å; S107-R109 PolarHBondContact OG-N 3.1Å; R109-R154 VanDerWaalsContact O-CD 3.28Å; R109-R154 WeakPolarHBondContact O-CD 3.42Å
110A98.7Very high97.9Very high0 Ų032.3 Ų32.30%014%0.143CC..PPolyproline II helixtrans-64.5140.8174.800000110.4T78 I80 S107 R154 I155T78-A110 WeakPolarHBondContact O-CB 3.33Å; I80-A110 HydrophobicContact CD1-CB 3.58Å; I80-A110 HydrophobicContact CG1-CB 4.11Å; S107-A110 WeakPolarHBondContact O-CB 3.43Å; S107-A110 PolarHBondContact O-N 3.48Å; S107-A110 VanDerWaalsContact O-N 3.09Å; A110-R154 CarbonylContact O-C 3.57Å; A110-R154 WeakPolarHBondContact O-CA 2.99Å; A110-R154 WeakPolarHBondContact O-CB 3.45Å; A110-I155 HydrophobicContact CB-CG1 4.16Å; A110-I155 PolarHBondContact O-N 2.78Å
111H98.8Very high97.8Very high19 Ų1931.6 Ų31.69%0.08814%0.141CC..EExtended strand (participates in β ladder)trans-84.7147.2179.2-73.864000110.9V79 I80 T143 K147 L153V79-H111 CarbonylContact C-O 3.53Å; V79-H111 WeakPolarHBondContact CA-O 3.38Å; V79-H111 HydrophobicContact CG1-CB 4.16Å; I80-H111 PolarHBondContact N-O 2.81Å; H111-T143 HydrophobicContact CB-CG2 4.1Å; H111-K147 WeakPolarHBondContact NE2-CG 3.4Å; H111-L153 CarbonylContact C-O 3.21Å; H111-L153 WeakPolarHBondContact CA-O 3.35Å
112I98.8Very high97.6Very high1 Ų128.8 Ų28.81%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-89.7128.1-180-61.1166.5000109I80 F114 T143 L153 R154 I155 L158 F165 Y194I80-I112 WeakPolarHBondContact O-CA 3.44Å; I112-F114 HydrophobicContact CB-CE1 4.46Å; I112-F114 HydrophobicContact CB-CE2 4.37Å; I112-F114 HydrophobicContact CB-CZ 4.07Å; I112-F114 HydrophobicContact CG2-CD1 4.05Å; I112-F114 HydrophobicContact CG2-CE1 3.67Å; I112-F114 HydrophobicContact CG2-CE2 4.27Å; I112-F114 HydrophobicContact CG2-CG 4.48Å; I112-F114 HydrophobicContact CG2-CZ 3.78Å; I112-T143 WeakPolarHBondContact O-CG2 3.22Å; I112-L153 PolarHBondContact N-O 3.36Å; I112-R154 WeakPolarHBondContact CD1-O 3.36Å; I112-I155 HydrophobicContact CD1-CD1 4.33Å; I112-I155 HydrophobicContact CG1-CD1 3.85Å; I112-L158 HydrophobicContact CD1-CB 3.79Å; I112-L158 HydrophobicContact CD1-CD2 3.95Å; I112-L158 HydrophobicContact CD1-CG 4.43Å; I112-F165 HydrophobicContact CD1-CE2 4.17Å; I112-Y194 HydrophobicContact CG2-CE1 3.63Å
113V98.8Very high97.3Very high0 Ų022.1 Ų22.10%011%0.112CC..EExtended strand (participates in β ladder)trans-83.5130.7163.3-174.30000107.3V79 I80 H81 H117 I140 T143 Y194V79-V113 HydrophobicContact CB-CG2 3.74Å; V79-V113 HydrophobicContact CG2-CG2 3.64Å; I80-V113 PolarHBondContact O-N 2.83Å; H81-V113 HydrophobicContact CB-CB 3.88Å; H81-V113 HydrophobicContact CB-CG1 4.3Å; H81-V113 HydrophobicContact CB-CG2 4.48Å; H81-V113 PolarHBondContact CD2-O 3.29Å; H81-V113 VanDerWaalsContact CD2-O 3.3Å; V113-H117 HydrophobicContact CG1-CB 4.1Å; V113-I140 HydrophobicContact CG2-CD1 4.49Å; V113-T143 HydrophobicContact CG2-CG2 4.06Å; V113-Y194 PolarHBondContact O-OH 3.01Å
114F98.8Very high96.8Very high0 Ų026.8 Ų26.80%013%0.13CC..PPolyproline II helixtrans-101.9158.5174.1-64.6-71.3000111I112 F116 H117 Q118 L153 F165 F169 L172 Y194I112-F114 HydrophobicContact CB-CE1 4.46Å; I112-F114 HydrophobicContact CB-CE2 4.37Å; I112-F114 HydrophobicContact CB-CZ 4.07Å; I112-F114 HydrophobicContact CG2-CD1 4.05Å; I112-F114 HydrophobicContact CG2-CE1 3.67Å; I112-F114 HydrophobicContact CG2-CE2 4.27Å; I112-F114 HydrophobicContact CG2-CG 4.48Å; I112-F114 HydrophobicContact CG2-CZ 3.78Å; F114-F116 HydrophobicContact CB-CD1 3.45Å; F114-F116 VanDerWaalsContact CB-CD1 3.45Å; F114-F116 HydrophobicContact CB-CE1 3.26Å; F114-F116 HydrophobicContact CB-CG 4.22Å; F114-F116 HydrophobicContact CB-CZ 3.9Å; F114-F116 HydrophobicContact CD1-CE1 4.35Å; F114-F116 AromaticContact CD2-CE1 3.61Å; F114-F116 HydrophobicContact CD2-CE1 3.61Å; F114-F116 AromaticContact CD2-CZ 3.71Å; F114-F116 HydrophobicContact CD2-CZ 3.71Å; F114-F116 HydrophobicContact CG-CD1 4.16Å; F114-F116 AromaticContact CG-CE1 3.49Å; F114-F116 HydrophobicContact CG-CE1 3.49Å; F114-F116 VanDerWaalsContact CG-CE1 3.49Å; F114-F116 HydrophobicContact CG-CZ 4.05Å; F114-F116 PolarHBondContact O-N 2.95Å; F114-H117 AromaticContact CD2-CE1 3.49Å; F114-H117 VanDerWaalsContact CD2-CE1 3.49Å; F114-H117 WeakPolarHBondContact CD2-CE1 3.33Å; F114-H117 AromaticContact CD2-NE2 3.92Å; F114-H117 PolarHBondContact N-ND1 3.31Å; F114-H117 VanDerWaalsContact N-ND1 3.19Å; F114-H117 VanDerWaalsContact O-CB 3.26Å; F114-H117 WeakPolarHBondContact O-CB 3.42Å; F114-H117 PolarHBondContact O-N 3.26Å; F114-Q118 PolarHBondContact O-N 2.84Å; F114-L153 HydrophobicContact CE2-CB 4.12Å; F114-L153 HydrophobicContact CE2-CD1 4Å; F114-L153 HydrophobicContact CE2-CG 4.49Å; F114-L153 HydrophobicContact CZ-CB 4.04Å; F114-L153 HydrophobicContact CZ-CD1 3.76Å; F114-L153 HydrophobicContact CZ-CG 4.48Å; F114-F165 HydrophobicContact CE1-CZ 4.02Å; F114-F165 HydrophobicContact CZ-CE2 4.23Å; F114-F165 HydrophobicContact CZ-CZ 4.02Å; F114-F169 HydrophobicContact CD1-CD2 4.13Å; F114-F169 AromaticContact CD1-CE2 3.55Å; F114-F169 HydrophobicContact CD1-CE2 3.55Å; F114-F169 HydrophobicContact CD2-CE2 4.35Å; F114-F169 AromaticContact CE1-CD2 3.71Å; F114-F169 HydrophobicContact CE1-CD2 3.71Å; F114-F169 AromaticContact CE1-CE2 3.59Å; F114-F169 HydrophobicContact CE1-CE2 3.59Å; F114-F169 HydrophobicContact CE2-CD2 4.22Å; F114-F169 HydrophobicContact CE2-CE2 4.39Å; F114-F169 AromaticContact CG-CE2 3.98Å; F114-F169 HydrophobicContact CG-CE2 3.98Å; F114-F169 AromaticContact CZ-CD2 3.77Å; F114-F169 HydrophobicContact CZ-CD2 3.77Å; F114-F169 HydrophobicContact CZ-CE2 4.04Å; F114-L172 HydrophobicContact CD2-CD2 4.13Å; F114-L172 HydrophobicContact CE2-CD2 3.9Å; F114-Y194 HydrophobicContact CD1-CD2 4.22Å; F114-Y194 AromaticContact CD1-CE1 3.96Å; F114-Y194 HydrophobicContact CD1-CE1 3.96Å; F114-Y194 AromaticContact CD1-CE2 3.43Å; F114-Y194 HydrophobicContact CD1-CE2 3.43Å; F114-Y194 VanDerWaalsContact CD1-CE2 3.43Å; F114-Y194 AromaticContact CD1-CZ 3.27Å; F114-Y194 WeakPolarHBondContact CD1-OH 3.37Å; F114-Y194 HydrophobicContact CE1-CD1 4.15Å; F114-Y194 HydrophobicContact CE1-CD2 4.11Å; F114-Y194 AromaticContact CE1-CE1 3.73Å; F114-Y194 HydrophobicContact CE1-CE1 3.73Å; F114-Y194 AromaticContact CE1-CE2 3.73Å; F114-Y194 HydrophobicContact CE1-CE2 3.73Å; F114-Y194 HydrophobicContact CE1-CG 4.34Å; F114-Y194 AromaticContact CE1-CZ 3.52Å
115D98.3Very high96.2Very high56 Ų5628.5 Ų28.530%0.29914%0.138SC..Hα-helixtrans-58.8-38.1176.8-75.9-33.6000111.7H81 H117 Q118 V119 K193H81-D115 IonicContact CE1-OD1 3.9Å; H81-D115 PolarHBondContact CE1-OD1 3.35Å; H81-D115 IonicContact NE2-OD1 3.26Å; H81-D115 PolarHBondContact NE2-OD1 3.33Å; D115-H117 PolarHBondContact O-N 2.94Å; D115-Q118 WeakPolarHBondContact O-CA 3.46Å; D115-Q118 WeakPolarHBondContact O-CB 3.33Å; D115-Q118 PolarHBondContact O-N 3.46Å; D115-Q118 PolarHBondContact OD1-NE2 3.29Å; D115-V119 PolarHBondContact O-N 3.46Å; D115-V119 VanDerWaalsContact O-N 3.09Å; D115-K193 IonicContact OD2-NZ 2.65Å; D115-K193 PolarHBondContact OD2-NZ 3.47Å
116F98.1Very high95.5Very high4 Ų435 Ų352%0.01817%0.168CC..Hα-helixtrans-64.8-24.9175.874.4-100.6000113.1F114 Q118 V119 I120 F169 L172 V173 T176 L183 V185F114-F116 HydrophobicContact CB-CD1 3.45Å; F114-F116 VanDerWaalsContact CB-CD1 3.45Å; F114-F116 HydrophobicContact CB-CE1 3.26Å; F114-F116 HydrophobicContact CB-CG 4.22Å; F114-F116 HydrophobicContact CB-CZ 3.9Å; F114-F116 HydrophobicContact CD1-CE1 4.35Å; F114-F116 AromaticContact CD2-CE1 3.61Å; F114-F116 HydrophobicContact CD2-CE1 3.61Å; F114-F116 AromaticContact CD2-CZ 3.71Å; F114-F116 HydrophobicContact CD2-CZ 3.71Å; F114-F116 HydrophobicContact CG-CD1 4.16Å; F114-F116 AromaticContact CG-CE1 3.49Å; F114-F116 HydrophobicContact CG-CE1 3.49Å; F114-F116 VanDerWaalsContact CG-CE1 3.49Å; F114-F116 HydrophobicContact CG-CZ 4.05Å; F114-F116 PolarHBondContact O-N 2.95Å; F116-Q118 VanDerWaalsContact C-N 3.3Å; F116-V119 PolarHBondContact O-N 2.79Å; F116-I120 HydrophobicContact CD2-CD1 4.37Å; F116-I120 WeakPolarHBondContact O-CG1 3.45Å; F116-I120 WeakPolarHBondContact O-CG2 3.41Å; F116-I120 PolarHBondContact O-N 3.37Å; F116-F169 HydrophobicContact CD1-CE2 4.44Å; F116-F169 AromaticContact CE1-CE2 3.77Å; F116-F169 HydrophobicContact CE1-CE2 3.77Å; F116-F169 HydrophobicContact CE1-CZ 4.22Å; F116-L172 HydrophobicContact CE2-CG 4.45Å; F116-L172 HydrophobicContact CZ-CD2 3.81Å; F116-L172 HydrophobicContact CZ-CG 3.86Å; F116-V173 HydrophobicContact CD1-CG2 4.2Å; F116-V173 HydrophobicContact CE1-CG2 3.89Å; F116-V173 HydrophobicContact CZ-CG2 4.4Å; F116-T176 HydrophobicContact CD2-CG2 4.09Å; F116-T176 HydrophobicContact CE2-CG2 4.23Å; F116-L183 HydrophobicContact CB-CD1 3.96Å; F116-L183 HydrophobicContact CB-CD2 4.15Å; F116-L183 HydrophobicContact CD2-CD2 4.3Å; F116-V185 HydrophobicContact CB-CG2 3.58Å; F116-V185 HydrophobicContact CG-CG2 4.26Å
117H98.4Very high94.4Very high2 Ų239.4 Ų39.41%0.00919%0.192CC..Hα-helixtrans-65.2-37.4171-63.7161.4000111.1V113 F114 D115 I120 D121 G139 P142 T143 N146V113-H117 HydrophobicContact CG1-CB 4.1Å; F114-H117 AromaticContact CD2-CE1 3.49Å; F114-H117 VanDerWaalsContact CD2-CE1 3.49Å; F114-H117 WeakPolarHBondContact CD2-CE1 3.33Å; F114-H117 AromaticContact CD2-NE2 3.92Å; F114-H117 PolarHBondContact N-ND1 3.31Å; F114-H117 VanDerWaalsContact N-ND1 3.19Å; F114-H117 VanDerWaalsContact O-CB 3.26Å; F114-H117 WeakPolarHBondContact O-CB 3.42Å; F114-H117 PolarHBondContact O-N 3.26Å; D115-H117 PolarHBondContact O-N 2.94Å; H117-I120 WeakPolarHBondContact O-CG1 3.38Å; H117-D121 VanDerWaalsContact O-CB 3.26Å; H117-D121 WeakPolarHBondContact O-CB 3.49Å; H117-D121 PolarHBondContact O-N 3.24Å; H117-G139 VanDerWaalsContact O-CA 3.29Å; H117-G139 WeakPolarHBondContact O-CA 3.45Å; H117-P142 HydrophobicContact CB-CB 4.24Å; H117-T143 PolarHBondContact ND1-OG1 3.48Å; H117-N146 PolarHBondContact NE2-OD1 3.08Å
118Q97.1Very high92.5Very high38 Ų3844.8 Ų44.818%0.17823%0.229CC..Hα-helixtrans-67.2-41.6175.6-56.4-174.156.200110.8H81 F114 D115 F116 D121 G122H81-Q118 PolarHBondContact CE1-NE2 3.16Å; H81-Q118 PolarHBondContact ND1-NE2 3.3Å; H81-Q118 PolarHBondContact NE2-NE2 3.46Å; F114-Q118 PolarHBondContact O-N 2.84Å; D115-Q118 WeakPolarHBondContact O-CA 3.46Å; D115-Q118 WeakPolarHBondContact O-CB 3.33Å; D115-Q118 PolarHBondContact O-N 3.46Å; D115-Q118 PolarHBondContact OD1-NE2 3.29Å; F116-Q118 VanDerWaalsContact C-N 3.3Å; Q118-D121 PolarHBondContact O-N 3.27Å; Q118-G122 PolarHBondContact O-N 3.5Å
119V96.6Very high90.8Very high72 Ų7247.2 Ų47.244%0.43626%0.258SS..Hα-helixtrans-59.4-52.1176.6177.80000111D115 F116 D121 G122 L123 L183D115-V119 PolarHBondContact O-N 3.46Å; D115-V119 VanDerWaalsContact O-N 3.09Å; F116-V119 PolarHBondContact O-N 2.79Å; V119-D121 VanDerWaalsContact C-N 3.31Å; V119-D121 PolarHBondContact O-N 2.71Å; V119-G122 PolarHBondContact O-N 3.28Å; V119-L123 HydrophobicContact CG1-CD1 4.18Å; V119-L123 HydrophobicContact CG1-CG 4.42Å; V119-L123 WeakPolarHBondContact O-CG 3.36Å; V119-L123 PolarHBondContact O-N 3.06Å; V119-L183 HydrophobicContact CB-CD1 4.09Å; V119-L183 HydrophobicContact CG1-CD1 3.79Å
120I95.3Very high89Confident6 Ų643.5 Ų43.53%0.03126%0.256CS..Hα-helixtrans-70.3-26.1-178.567.8-168.1000113.3F116 H117 R124 P142 T176 F180 L183F116-I120 HydrophobicContact CD2-CD1 4.37Å; F116-I120 WeakPolarHBondContact O-CG1 3.45Å; F116-I120 WeakPolarHBondContact O-CG2 3.41Å; F116-I120 PolarHBondContact O-N 3.37Å; H117-I120 WeakPolarHBondContact O-CG1 3.38Å; I120-R124 WeakPolarHBondContact O-CB 3.45Å; I120-R124 WeakPolarHBondContact O-CG 3.47Å; I120-R124 PolarHBondContact O-N 2.8Å; I120-P142 HydrophobicContact CD1-CB 3.67Å; I120-P142 HydrophobicContact CD1-CG 4.14Å; I120-P142 HydrophobicContact CG1-CB 3.87Å; I120-P142 HydrophobicContact CG1-CG 3.76Å; I120-T176 HydrophobicContact CD1-CG2 3.75Å; I120-T176 HydrophobicContact CG2-CG2 3.99Å; I120-F180 HydrophobicContact CB-CD1 4.4Å; I120-F180 HydrophobicContact CB-CD2 4.08Å; I120-F180 HydrophobicContact CB-CE1 4.33Å; I120-F180 HydrophobicContact CB-CE2 4.01Å; I120-F180 HydrophobicContact CB-CG 4.28Å; I120-F180 HydrophobicContact CB-CZ 4.14Å; I120-F180 HydrophobicContact CD1-CE2 4.38Å; I120-F180 HydrophobicContact CG2-CB 4.16Å; I120-F180 HydrophobicContact CG2-CD1 4.27Å; I120-F180 HydrophobicContact CG2-CD2 3.69Å; I120-F180 HydrophobicContact CG2-CE2 4.14Å; I120-F180 HydrophobicContact CG2-CG 3.77Å; I120-L183 HydrophobicContact CG2-CD1 4.16Å; I120-L183 HydrophobicContact CG2-CD2 3.96Å; I120-L183 HydrophobicContact CG2-CG 4.47Å
121D93.7Very high87.6Confident7 Ų748.1 Ų48.14%0.03728%0.284CS..Hα-helixtrans-63.9-46.7170.2-167.512.8000110.2H117 Q118 V119 R124 E125 T135 G137 R138 G139 P142H117-D121 VanDerWaalsContact O-CB 3.26Å; H117-D121 WeakPolarHBondContact O-CB 3.49Å; H117-D121 PolarHBondContact O-N 3.24Å; Q118-D121 PolarHBondContact O-N 3.27Å; V119-D121 VanDerWaalsContact C-N 3.31Å; V119-D121 PolarHBondContact O-N 2.71Å; D121-R124 PolarHBondContact O-N 3.33Å; D121-E125 PolarHBondContact O-N 2.97Å; D121-T135 VanDerWaalsContact CG-OG1 3.3Å; D121-T135 WeakPolarHBondContact OD1-CB 3.44Å; D121-T135 WeakPolarHBondContact OD1-CG2 3.38Å; D121-T135 PolarHBondContact OD1-OG1 3.03Å; D121-T135 PolarHBondContact OD2-OG1 3.22Å; D121-G137 WeakPolarHBondContact OD2-CA 3.24Å; D121-R138 PolarHBondContact OD2-N 2.9Å; D121-R138 VanDerWaalsContact OD2-N 3.14Å; D121-G139 PolarHBondContact OD2-N 3.19Å; D121-P142 HydrophobicContact CB-CG 4.06Å
122G92Very high86.6Confident25 Ų2554.5 Ų54.526%0.25831%0.307SS..Hα-helixtrans-62.5-42.7173.800000113.8Q118 V119 R124 E125 Q126Q118-G122 PolarHBondContact O-N 3.5Å; V119-G122 PolarHBondContact O-N 3.28Å; G122-R124 VanDerWaalsContact C-N 3.31Å; G122-R124 PolarHBondContact O-N 3.12Å; G122-E125 PolarHBondContact O-N 2.85Å; G122-Q126 WeakPolarHBondContact O-CG 3.21Å; G122-Q126 PolarHBondContact O-N 3.14Å; G122-Q126 VanDerWaalsContact O-N 3.17Å
123L90.8Very high85.8Confident49 Ų4956.8 Ų56.826%0.25732%0.319SS..Hα-helixtrans-61.5-38.8176.8-69.9175.7000112V119 Q126 D127 F180V119-L123 HydrophobicContact CG1-CD1 4.18Å; V119-L123 HydrophobicContact CG1-CG 4.42Å; V119-L123 WeakPolarHBondContact O-CG 3.36Å; V119-L123 PolarHBondContact O-N 3.06Å; L123-Q126 PolarHBondContact O-N 2.81Å; L123-D127 PolarHBondContact O-N 3.17Å; L123-D127 VanDerWaalsContact O-N 3.1Å; L123-F180 HydrophobicContact CD1-CD1 4.33Å
124R87.2Confident85Confident119 Ų11957.4 Ų57.445%0.44933%0.325SS..Hα-helixtrans-65.3-36.8177.1-80.2-178.2167.4176.46.4113.1I120 D121 G122 Q126 D127 F180I120-R124 WeakPolarHBondContact O-CB 3.45Å; I120-R124 WeakPolarHBondContact O-CG 3.47Å; I120-R124 PolarHBondContact O-N 2.8Å; D121-R124 PolarHBondContact O-N 3.33Å; G122-R124 VanDerWaalsContact C-N 3.31Å; G122-R124 PolarHBondContact O-N 3.12Å; R124-Q126 VanDerWaalsContact C-N 3.29Å; R124-D127 PolarHBondContact O-N 3.03Å; R124-F180 HydrophobicContact CG-CE1 3.99Å; R124-F180 HydrophobicContact CG-CZ 4.02Å
125E85Confident84.3Confident36 Ų3659.6 Ų59.617%0.16834%0.339CS..Hα-helixtrans-72.5-23.3176.1-77.1-69.8122.800113.2D121 G122 I133 G134 T135D121-E125 PolarHBondContact O-N 2.97Å; G122-E125 PolarHBondContact O-N 2.85Å; E125-I133 WeakPolarHBondContact OE1-CA 3.41Å; E125-I133 WeakPolarHBondContact OE1-CB 3.46Å; E125-I133 PolarHBondContact OE1-N 3.09Å; E125-G134 VanDerWaalsContact CD-N 3.33Å; E125-G134 PolarHBondContact OE1-N 3.29Å; E125-G134 VanDerWaalsContact OE1-N 3.08Å; E125-G134 WeakPolarHBondContact OE2-CA 3.48Å; E125-G134 PolarHBondContact OE2-N 2.83Å; E125-T135 HydrophobicContact CG-CG2 4.07Å; E125-T135 WeakPolarHBondContact CG-OG1 3.47Å; E125-T135 PolarHBondContact OE2-N 3.36Å
126Q83.9Confident83.7Confident137 Ų13759.2 Ų59.264%0.6434%0.338SS*.Hα-helixtrans-84.5-21.3175.9-70.5175.2-4.500113.2G122 L123 R124 S128G122-Q126 WeakPolarHBondContact O-CG 3.21Å; G122-Q126 PolarHBondContact O-N 3.14Å; G122-Q126 VanDerWaalsContact O-N 3.17Å; L123-Q126 PolarHBondContact O-N 2.81Å; R124-Q126 VanDerWaalsContact C-N 3.29Å; Q126-S128 PolarHBondContact O-N 2.95Å
127D76.8Confident83.3Confident93 Ų9360.2 Ų60.250%0.49735%0.35SS..  trans-61.2109.4-179.6-171.1-1.7000110.3L123 R124 A129 G130L123-D127 PolarHBondContact O-N 3.17Å; L123-D127 VanDerWaalsContact O-N 3.1Å; R124-D127 PolarHBondContact O-N 3.03Å; D127-A129 PolarHBondContact O-N 3.01Å; D127-A129 PolarHBondContact OD1-N 2.85Å; D127-A129 VanDerWaalsContact OD1-N 3.14Å; D127-G130 PolarHBondContact O-N 3.25Å; D127-G130 VanDerWaalsContact O-N 3.12Å
128S58.7Low83.1Confident113 Ų11364 Ų6479%0.7937%0.365SS*.THydrogen-bonded Turntrans-70.9-17-174.7-57.20000112.5Q126 G130Q126-S128 PolarHBondContact O-N 2.95Å; S128-G130 VanDerWaalsContact C-N 3.3Å
129A62.2Low83Confident98 Ų9862.2 Ų62.281%0.8136%0.356SS*.THydrogen-bonded Turntrans-78.8-16.9174.700000112.5D127D127-A129 PolarHBondContact O-N 3.01Å; D127-A129 PolarHBondContact OD1-N 2.85Å; D127-A129 VanDerWaalsContact OD1-N 3.14Å
130G62Low83Confident39 Ų3959.1 Ų59.140%0.40234%0.337SS..SBendtrans-94.3154.8-177.100000113.8D127 S128 R132D127-G130 PolarHBondContact O-N 3.25Å; D127-G130 VanDerWaalsContact O-N 3.12Å; S128-G130 VanDerWaalsContact C-N 3.3Å; G130-R132 PolarHBondContact O-N 3.33Å
131V68.4Low83Confident96 Ų9659.6 Ų59.658%0.58234%0.343SS*.PPolyproline II helixtrans-70.1117.6163177.90000107.4I133 Y245V131-I133 PolarHBondContact O-N 2.97Å; V131-Y245 HydrophobicContact CG1-CE1 4.02Å; V131-Y245 WeakPolarHBondContact CG1-OH 3.41Å
132R78.6Confident83.1Confident154 Ų15459.5 Ų59.558%0.58134%0.343SS*.PPolyproline II helixtrans-59.4126.5171.2-70.3-173.8180163.93.7109.1G130G130-R132 PolarHBondContact O-N 3.33Å
133I81.5Confident83.4Confident48 Ų4858.4 Ų58.425%0.24633%0.331CS..  trans-89-28.2177.4-57.5-56.1000109.6E125 V131 T135 P244E125-I133 WeakPolarHBondContact OE1-CA 3.41Å; E125-I133 WeakPolarHBondContact OE1-CB 3.46Å; E125-I133 PolarHBondContact OE1-N 3.09Å; V131-I133 PolarHBondContact O-N 2.97Å; I133-T135 HydrophobicContact CB-CG2 4.13Å; I133-T135 HydrophobicContact CG2-CG2 4.24Å; I133-P244 HydrophobicContact CD1-CB 3.76Å; I133-P244 HydrophobicContact CD1-CG 3.66Å
134G81.3Confident83.8Confident14 Ų1456.8 Ų56.814%0.14432%0.322CS..  trans8436.8-176.100000112.2E125E125-G134 VanDerWaalsContact CD-N 3.33Å; E125-G134 PolarHBondContact OE1-N 3.29Å; E125-G134 VanDerWaalsContact OE1-N 3.08Å; E125-G134 WeakPolarHBondContact OE2-CA 3.48Å; E125-G134 PolarHBondContact OE2-N 2.83Å
135T84.7Confident84.3Confident46 Ų4653.3 Ų53.328%0.28232%0.319SS..  trans-60.3167.6-17985.20000112.2D121 E125 I133 G137D121-T135 VanDerWaalsContact CG-OG1 3.3Å; D121-T135 WeakPolarHBondContact OD1-CB 3.44Å; D121-T135 WeakPolarHBondContact OD1-CG2 3.38Å; D121-T135 PolarHBondContact OD1-OG1 3.03Å; D121-T135 PolarHBondContact OD2-OG1 3.22Å; E125-T135 HydrophobicContact CG-CG2 4.07Å; E125-T135 WeakPolarHBondContact CG-OG1 3.47Å; E125-T135 PolarHBondContact OE2-N 3.36Å; I133-T135 HydrophobicContact CB-CG2 4.13Å; I133-T135 HydrophobicContact CG2-CG2 4.24Å; T135-G137 VanDerWaalsContact C-N 3.29Å; T135-G137 PolarHBondContact OG1-N 2.92Å
136T84.6Confident84.9Confident47 Ų4752.4 Ų52.429%0.28832%0.315SS..  trans-85-2.5177.955.70000113.1N44 R138N44-T136 HydrophobicContact CB-CG2 4.03Å; N44-T136 VanDerWaalsContact CB-OG1 3.24Å; N44-T136 WeakPolarHBondContact CB-OG1 3.49Å; T136-R138 PolarHBondContact O-N 3.44Å; T136-R138 WeakPolarHBondContact OG1-CB 3.35Å; T136-R138 WeakPolarHBondContact OG1-CG 3.44Å
137G90.3Very high85.6Confident26 Ų2649.3 Ų49.327%0.26830%0.3SS..SBendtrans65.220.1-17400000113.8D121 T135D121-G137 WeakPolarHBondContact OD2-CA 3.24Å; T135-G137 VanDerWaalsContact C-N 3.29Å; T135-G137 PolarHBondContact OG1-N 2.92Å
138R93.8Very high86.5Confident82 Ų8249.6 Ų49.631%0.30931%0.309SS..SBendtrans-95.96.2-175.2-62.8-52.9-172.5180-3.2113.3H43 D121 T136 I140H43-R138 PolarHBondContact CE1-O 3.29Å; D121-R138 PolarHBondContact OD2-N 2.9Å; D121-R138 VanDerWaalsContact OD2-N 3.14Å; T136-R138 PolarHBondContact O-N 3.44Å; T136-R138 WeakPolarHBondContact OG1-CB 3.35Å; T136-R138 WeakPolarHBondContact OG1-CG 3.44Å; R138-I140 HydrophobicContact CB-CD1 4.46Å; R138-I140 HydrophobicContact CB-CG1 4.11Å; R138-I140 PolarHBondContact O-N 3.06Å
139G96.2Very high88.4Confident0 Ų053.7 Ų53.70%031%0.307CS..SBendtrans72.514.9175.400000114.4H117 D121 T143H117-G139 VanDerWaalsContact O-CA 3.29Å; H117-G139 WeakPolarHBondContact O-CA 3.45Å; D121-G139 PolarHBondContact OD2-N 3.19Å; G139-T143 WeakPolarHBondContact O-CB 3.29Å; G139-T143 PolarHBondContact O-N 2.84Å; G139-T143 VanDerWaalsContact O-N 3.13Å; G139-T143 PolarHBondContact O-OG1 2.82Å
140I95.6Very high90Very high6 Ų660.2 Ų60.23%0.03131%0.311CS..Hα-helixtrans-65.8-51.6-177.4-57.5-57.3000110.5N44 V79 V113 R138 T143 Y144N44-I140 HydrophobicContact CB-CD1 4.45Å; N44-I140 HydrophobicContact CB-CG1 3.71Å; V79-I140 HydrophobicContact CG2-CD1 3.56Å; V79-I140 HydrophobicContact CG2-CG2 4.27Å; V113-I140 HydrophobicContact CG2-CD1 4.49Å; R138-I140 HydrophobicContact CB-CD1 4.46Å; R138-I140 HydrophobicContact CB-CG1 4.11Å; R138-I140 PolarHBondContact O-N 3.06Å; I140-T143 PolarHBondContact O-N 3.07Å; I140-Y144 HydrophobicContact CG2-CD2 3.65Å; I140-Y144 HydrophobicContact CG2-CE2 3.66Å; I140-Y144 WeakPolarHBondContact O-CD2 3.33Å; I140-Y144 PolarHBondContact O-N 3.07Å
141G95.3Very high91.7Very high16 Ų1659.8 Ų59.817%0.16530%0.299CS..Hα-helixtrans-59-52.8-179.300000113.1T143 Y144 A145 S248G141-T143 VanDerWaalsContact C-N 3.28Å; G141-T143 PolarHBondContact O-N 3.31Å; G141-Y144 PolarHBondContact O-N 3.08Å; G141-A145 WeakPolarHBondContact O-CB 3.4Å; G141-A145 PolarHBondContact O-N 3.07Å; G141-S248 WeakPolarHBondContact CA-OG 3.38Å
142P97Very high93.1Very high6 Ų656 Ų564%0.03928%0.28CS..Hα-helixtrans-58-37.3175.6-25.634000113.7H117 I120 D121 A145 N146H117-P142 HydrophobicContact CB-CB 4.24Å; I120-P142 HydrophobicContact CD1-CB 3.67Å; I120-P142 HydrophobicContact CD1-CG 4.14Å; I120-P142 HydrophobicContact CG1-CB 3.87Å; I120-P142 HydrophobicContact CG1-CG 3.76Å; D121-P142 HydrophobicContact CB-CG 4.06Å; P142-A145 WeakPolarHBondContact O-CB 3.38Å; P142-A145 PolarHBondContact O-N 3.19Å; P142-N146 PolarHBondContact O-N 3.37Å; P142-N146 PolarHBondContact O-OD1 3.4Å
143T98.7Very high94.1Very high1 Ų148.9 Ų48.91%0.00625%0.253CS..Hα-helixtrans-66.1-45.5177.4-53.30000112V79 H111 I112 V113 H117 G139 I140 G141 A145 N146 K147V79-T143 HydrophobicContact CB-CG2 3.92Å; V79-T143 HydrophobicContact CG1-CG2 3.83Å; H111-T143 HydrophobicContact CB-CG2 4.1Å; I112-T143 WeakPolarHBondContact O-CG2 3.22Å; V113-T143 HydrophobicContact CG2-CG2 4.06Å; H117-T143 PolarHBondContact ND1-OG1 3.48Å; G139-T143 WeakPolarHBondContact O-CB 3.29Å; G139-T143 PolarHBondContact O-N 2.84Å; G139-T143 VanDerWaalsContact O-N 3.13Å; G139-T143 PolarHBondContact O-OG1 2.82Å; I140-T143 PolarHBondContact O-N 3.07Å; G141-T143 VanDerWaalsContact C-N 3.28Å; G141-T143 PolarHBondContact O-N 3.31Å; T143-A145 VanDerWaalsContact C-N 3.33Å; T143-N146 PolarHBondContact O-N 2.9Å; T143-K147 PolarHBondContact O-N 2.9Å
144Y98.1Very high94.9Very high15 Ų1551.2 Ų51.26%0.05926%0.259CS..Hα-helixtrans-65.7-35.9174.7-84.2-73.7000112.2G41 G77 V79 I140 G141 N146 K147 S148 S248G41-Y144 PolarHBondContact N-OH 2.85Å; G77-Y144 PolarHBondContact O-OH 3.12Å; V79-Y144 HydrophobicContact CG1-CD1 4.35Å; V79-Y144 HydrophobicContact CG1-CD2 4.03Å; V79-Y144 HydrophobicContact CG1-CE1 4.03Å; V79-Y144 HydrophobicContact CG1-CE2 3.7Å; V79-Y144 HydrophobicContact CG1-CG 4.34Å; V79-Y144 HydrophobicContact CG2-CD2 4.46Å; V79-Y144 HydrophobicContact CG2-CE2 3.97Å; I140-Y144 HydrophobicContact CG2-CD2 3.65Å; I140-Y144 HydrophobicContact CG2-CE2 3.66Å; I140-Y144 WeakPolarHBondContact O-CD2 3.33Å; I140-Y144 PolarHBondContact O-N 3.07Å; G141-Y144 PolarHBondContact O-N 3.08Å; Y144-N146 VanDerWaalsContact C-N 3.32Å; Y144-N146 PolarHBondContact O-N 3.08Å; Y144-K147 HydrophobicContact CD1-CD 4.15Å; Y144-K147 HydrophobicContact CE1-CD 4.47Å; Y144-K147 WeakPolarHBondContact O-CB 3.1Å; Y144-K147 PolarHBondContact O-N 3.42Å; Y144-S148 PolarHBondContact O-N 3.35Å; Y144-S148 PolarHBondContact O-OG 3.21Å; Y144-S248 WeakPolarHBondContact CB-O 3.29Å; Y144-S248 WeakPolarHBondContact CD1-O 3.28Å
145A96.9Very high95.8Very high47 Ų4750.6 Ų50.639%0.38825%0.252SS..Hα-helixtrans-60.5-43.4172.400000110.9G141 P142 T143 K147 S148 W149G141-A145 WeakPolarHBondContact O-CB 3.4Å; G141-A145 PolarHBondContact O-N 3.07Å; P142-A145 WeakPolarHBondContact O-CB 3.38Å; P142-A145 PolarHBondContact O-N 3.19Å; T143-A145 VanDerWaalsContact C-N 3.33Å; A145-K147 PolarHBondContact O-N 2.79Å; A145-S148 PolarHBondContact O-N 3.31Å; A145-W149 WeakPolarHBondContact O-CB 3.41Å; A145-W149 PolarHBondContact O-N 2.9Å
146N98.4Very high96.4Very high17 Ų1749.4 Ų49.49%0.09125%0.247CC..Hα-helixtrans-66.7-36176.1-66.9149.5000113.4H117 P142 T143 Y144 W149 R150 N151 G152H117-N146 PolarHBondContact NE2-OD1 3.08Å; P142-N146 PolarHBondContact O-N 3.37Å; P142-N146 PolarHBondContact O-OD1 3.4Å; T143-N146 PolarHBondContact O-N 2.9Å; Y144-N146 VanDerWaalsContact C-N 3.32Å; Y144-N146 PolarHBondContact O-N 3.08Å; N146-W149 PolarHBondContact O-N 3.47Å; N146-R150 PolarHBondContact O-N 2.91Å; N146-N151 WeakPolarHBondContact CA-OD1 3.49Å; N146-N151 WeakPolarHBondContact CB-OD1 3.37Å; N146-N151 PolarHBondContact ND2-OD1 2.83Å; N146-N151 VanDerWaalsContact ND2-OD1 3.07Å; N146-N151 PolarHBondContact O-N 3.13Å; N146-N151 PolarHBondContact O-OD1 2.92Å; N146-N151 VanDerWaalsContact O-OD1 3.09Å; N146-G152 PolarHBondContact O-N 3.12Å
147K98.1Very high97.1Very high72 Ų7248.7 Ų48.731%0.31324%0.242SC..Hα-helixtrans-55.6-53.6170.1170.8178.5176.5-172.10110.6H111 T143 Y144 A145 W149 R150H111-K147 WeakPolarHBondContact NE2-CG 3.4Å; T143-K147 PolarHBondContact O-N 2.9Å; Y144-K147 HydrophobicContact CD1-CD 4.15Å; Y144-K147 HydrophobicContact CE1-CD 4.47Å; Y144-K147 WeakPolarHBondContact O-CB 3.1Å; Y144-K147 PolarHBondContact O-N 3.42Å; A145-K147 PolarHBondContact O-N 2.79Å; K147-W149 VanDerWaalsContact C-N 3.35Å; K147-W149 PolarHBondContact O-N 2.89Å; K147-R150 PolarHBondContact O-N 3.29Å; K147-R150 VanDerWaalsContact O-N 3.1Å
148S97.3Very high97.5Very high99 Ų9947.5 Ų47.569%0.69223%0.229SC*.Hα-helixtrans-69.4-31.8-178.1-61.30000112.9Y144 A145 R150Y144-S148 PolarHBondContact O-N 3.35Å; Y144-S148 PolarHBondContact O-OG 3.21Å; A145-S148 PolarHBondContact O-N 3.31Å; S148-R150 PolarHBondContact O-N 3.38Å
149W96.8Very high97.7Very high199 Ų19945.6 Ų45.675%0.75423%0.225SC*.THydrogen-bonded Turntrans-77-4.1173.4-158.7-99.7000113.4A145 N146 K147 N151A145-W149 WeakPolarHBondContact O-CB 3.41Å; A145-W149 PolarHBondContact O-N 2.9Å; N146-W149 PolarHBondContact O-N 3.47Å; K147-W149 VanDerWaalsContact C-N 3.35Å; K147-W149 PolarHBondContact O-N 2.89Å; W149-N151 VanDerWaalsContact C-N 3.27Å; W149-N151 PolarHBondContact O-N 2.61Å
150R97.6Very high97.6Very high234 Ų23451.7 Ų51.788%0.88326%0.257SS*.THydrogen-bonded Turntrans6131.9178.6-52.5175.5-69.9173.6-2.6113.6N146 K147 S148N146-R150 PolarHBondContact O-N 2.91Å; K147-R150 PolarHBondContact O-N 3.29Å; K147-R150 VanDerWaalsContact O-N 3.1Å; S148-R150 PolarHBondContact O-N 3.38Å
151N97.4Very high97.6Very high31 Ų3154.5 Ų54.517%0.16627%0.273CS..  trans-122.93.717271.2-19.6000113.4N146 W149 L172N146-N151 WeakPolarHBondContact CA-OD1 3.49Å; N146-N151 WeakPolarHBondContact CB-OD1 3.37Å; N146-N151 PolarHBondContact ND2-OD1 2.83Å; N146-N151 VanDerWaalsContact ND2-OD1 3.07Å; N146-N151 PolarHBondContact O-N 3.13Å; N146-N151 PolarHBondContact O-OD1 2.92Å; N146-N151 VanDerWaalsContact O-OD1 3.09Å; W149-N151 VanDerWaalsContact C-N 3.27Å; W149-N151 PolarHBondContact O-N 2.61Å; N151-L172 HydrophobicContact CB-CD1 4.44Å; N151-L172 WeakPolarHBondContact ND2-CD1 3.27Å
152G98.1Very high97.7Very high17 Ų1755.9 Ų55.918%0.17527%0.274CS..  trans-70.4156.3171.700000112.6N146N146-G152 PolarHBondContact O-N 3.12Å
153L98.8Very high97.8Very high4 Ų460.7 Ų60.72%0.02130%0.3CS..  trans-110.2139.4179.4-70170000110.8H111 I112 F114 D157 F165 K168 F169 L172H111-L153 CarbonylContact C-O 3.21Å; H111-L153 WeakPolarHBondContact CA-O 3.35Å; I112-L153 PolarHBondContact N-O 3.36Å; F114-L153 HydrophobicContact CE2-CB 4.12Å; F114-L153 HydrophobicContact CE2-CD1 4Å; F114-L153 HydrophobicContact CE2-CG 4.49Å; F114-L153 HydrophobicContact CZ-CB 4.04Å; F114-L153 HydrophobicContact CZ-CD1 3.76Å; F114-L153 HydrophobicContact CZ-CG 4.48Å; L153-D157 HydrophobicContact CD2-CB 4.1Å; L153-F165 HydrophobicContact CB-CE2 4.21Å; L153-F165 HydrophobicContact CD1-CD2 4.13Å; L153-F165 HydrophobicContact CD1-CE2 3.74Å; L153-F165 HydrophobicContact CD1-CZ 4.26Å; L153-F165 HydrophobicContact CD2-CD2 4.49Å; L153-F165 HydrophobicContact CG-CE2 4.43Å; L153-K168 HydrophobicContact CD1-CB 4.36Å; L153-K168 HydrophobicContact CD2-CB 3.43Å; L153-K168 VanDerWaalsContact CD2-CB 3.43Å; L153-K168 HydrophobicContact CD2-CD 3.63Å; L153-K168 HydrophobicContact CD2-CG 4.14Å; L153-K168 HydrophobicContact CG-CB 4.39Å; L153-F169 HydrophobicContact CD1-CB 3.89Å; L153-F169 HydrophobicContact CD1-CD2 4.23Å; L153-L172 HydrophobicContact CD1-CD2 4.41Å
154R98.7Very high97.7Very high97 Ų9764 Ų6437%0.36632%0.317SS..BIsolated β-bridgetrans-105.5166.7-180-68.3176.9-83.7179.5-6.2112R109 A110 I112 A156 D157 L158R109-R154 VanDerWaalsContact O-CD 3.28Å; R109-R154 WeakPolarHBondContact O-CD 3.42Å; A110-R154 CarbonylContact O-C 3.57Å; A110-R154 WeakPolarHBondContact O-CA 2.99Å; A110-R154 WeakPolarHBondContact O-CB 3.45Å; I112-R154 WeakPolarHBondContact CD1-O 3.36Å; R154-A156 VanDerWaalsContact C-N 3.27Å; R154-A156 PolarHBondContact O-N 3.28Å; R154-D157 WeakPolarHBondContact CB-OD2 3.49Å; R154-D157 PolarHBondContact N-OD2 3.46Å; R154-D157 WeakPolarHBondContact O-CB 3.24Å; R154-D157 PolarHBondContact O-N 2.94Å; R154-D157 VanDerWaalsContact O-N 3.11Å; R154-L158 PolarHBondContact O-N 3.01Å
155I98.8Very high97.8Very high0 Ų063.3 Ų63.30%031%0.314CS..Hα-helixtrans-56.5-41.3176.2-62.7-66.7000111.5I80 L82 I106 A110 I112 D157 L158 I159 L201 V207I80-I155 HydrophobicContact CD1-CG1 4.44Å; L82-I155 HydrophobicContact CD2-CD1 4.06Å; I106-I155 HydrophobicContact CG2-CG1 4.16Å; A110-I155 HydrophobicContact CB-CG1 4.16Å; A110-I155 PolarHBondContact O-N 2.78Å; I112-I155 HydrophobicContact CD1-CD1 4.33Å; I112-I155 HydrophobicContact CG1-CD1 3.85Å; I155-D157 VanDerWaalsContact C-N 3.34Å; I155-D157 PolarHBondContact O-N 3.13Å; I155-L158 WeakPolarHBondContact O-CB 3.25Å; I155-L158 PolarHBondContact O-N 2.92Å; I155-L158 VanDerWaalsContact O-N 3.08Å; I155-I159 HydrophobicContact CG2-CG2 4.41Å; I155-I159 WeakPolarHBondContact O-CG1 3.31Å; I155-I159 PolarHBondContact O-N 3.02Å; I155-I159 VanDerWaalsContact O-N 3.08Å; I155-L201 HydrophobicContact CD1-CD1 4.46Å; I155-L201 HydrophobicContact CG2-CD1 4.44Å; I155-V207 HydrophobicContact CG2-CB 4.3Å; I155-V207 HydrophobicContact CG2-CG1 3.68Å; I155-V207 HydrophobicContact CG2-CG2 3.58Å
156A98.3Very high97.8Very high22 Ų2266 Ų6618%0.18231%0.314CS..Hα-helixtrans-58.5-44.2175.200000112.1E108 R154 L158 I159 D160E108-A156 HydrophobicContact CB-CB 4.13Å; E108-A156 VanDerWaalsContact O-CB 3.28Å; E108-A156 WeakPolarHBondContact O-CB 3.35Å; E108-A156 PolarHBondContact O-N 2.86Å; R154-A156 VanDerWaalsContact C-N 3.27Å; R154-A156 PolarHBondContact O-N 3.28Å; A156-L158 PolarHBondContact O-N 3Å; A156-I159 PolarHBondContact O-N 3.46Å; A156-D160 WeakPolarHBondContact O-CB 3.35Å; A156-D160 PolarHBondContact O-N 3.06Å; A156-D160 VanDerWaalsContact O-N 3.07Å
157D98.4Very high97.8Very high31 Ų3171.5 Ų71.517%0.16634%0.34CS..Hα-helixtrans-56.5-38.1176.4-62.4-73.5000110.7L153 R154 I155 F165 K168L153-D157 HydrophobicContact CD2-CB 4.1Å; R154-D157 WeakPolarHBondContact CB-OD2 3.49Å; R154-D157 PolarHBondContact N-OD2 3.46Å; R154-D157 WeakPolarHBondContact O-CB 3.24Å; R154-D157 PolarHBondContact O-N 2.94Å; R154-D157 VanDerWaalsContact O-N 3.11Å; I155-D157 VanDerWaalsContact C-N 3.34Å; I155-D157 PolarHBondContact O-N 3.13Å; D157-F165 HydrophobicContact CB-CD2 4.25Å; D157-F165 WeakPolarHBondContact O-CB 3.4Å; D157-K168 IonicContact OD1-NZ 2.99Å; D157-K168 PolarHBondContact OD1-NZ 3.3Å
158L98.7Very high97.9Very high1 Ų172.3 Ų72.31%0.00534%0.343CS..Hα-helixtrans-73.2-41.1-178.5176.465.2000114.1L82 I112 R154 I155 A156 F162 F165 Y194 A198 L201L82-L158 HydrophobicContact CD1-CD2 3.45Å; L82-L158 VanDerWaalsContact CD1-CD2 3.45Å; I112-L158 HydrophobicContact CD1-CB 3.79Å; I112-L158 HydrophobicContact CD1-CD2 3.95Å; I112-L158 HydrophobicContact CD1-CG 4.43Å; R154-L158 PolarHBondContact O-N 3.01Å; I155-L158 WeakPolarHBondContact O-CB 3.25Å; I155-L158 PolarHBondContact O-N 2.92Å; I155-L158 VanDerWaalsContact O-N 3.08Å; A156-L158 PolarHBondContact O-N 3Å; L158-F162 HydrophobicContact CD1-CD2 4.34Å; L158-F162 HydrophobicContact CD1-CE2 3.96Å; L158-F165 HydrophobicContact CB-CD2 4.01Å; L158-F165 HydrophobicContact CB-CE2 3.94Å; L158-F165 HydrophobicContact CD1-CD1 4.04Å; L158-F165 HydrophobicContact CD1-CD2 4.11Å; L158-F165 HydrophobicContact CD1-CE1 3.78Å; L158-F165 HydrophobicContact CD1-CE2 3.83Å; L158-F165 HydrophobicContact CD1-CG 4.21Å; L158-F165 HydrophobicContact CD1-CZ 3.67Å; L158-F165 HydrophobicContact CG-CE2 4.48Å; L158-Y194 HydrophobicContact CD1-CD1 4.32Å; L158-Y194 HydrophobicContact CD2-CD1 4.14Å; L158-A198 HydrophobicContact CD1-CB 4Å; L158-A198 HydrophobicContact CG-CB 3.87Å; L158-A198 WeakPolarHBondContact O-CB 3.36Å; L158-L201 HydrophobicContact CD2-CD1 4.27Å
159I97.8Very high97.9Very high42 Ų4267.6 Ų67.622%0.21531%0.31CS..Hα-helixtrans-93.7-22-170.267.4167.8000114.2I155 A156 L201 V207I155-I159 HydrophobicContact CG2-CG2 4.41Å; I155-I159 WeakPolarHBondContact O-CG1 3.31Å; I155-I159 PolarHBondContact O-N 3.02Å; I155-I159 VanDerWaalsContact O-N 3.08Å; A156-I159 PolarHBondContact O-N 3.46Å; I159-L201 HydrophobicContact CG2-CB 4.17Å; I159-L201 HydrophobicContact CG2-CD1 4.18Å; I159-V207 HydrophobicContact CD1-CB 3.74Å; I159-V207 HydrophobicContact CD1-CG1 3.59Å; I159-V207 HydrophobicContact CD1-CG2 4.07Å
160D94.9Very high98Very high128 Ų12860.1 Ų60.168%0.68429%0.286SS*.SBendtrans-86.1-68-174.1-68-24.4000111.9A156A156-D160 WeakPolarHBondContact O-CB 3.35Å; A156-D160 PolarHBondContact O-N 3.06Å; A156-D160 VanDerWaalsContact O-N 3.07Å
161N96Very high98.1Very high66 Ų6657.1 Ų57.135%0.35328%0.275SS..  trans-122.8100-179.9-175.3-9.2000110.8D163 D164 F165N161-D163 VanDerWaalsContact C-N 3.3Å; N161-D163 PolarHBondContact O-N 3.47Å; N161-D163 PolarHBondContact OD1-N 3.41Å; N161-D163 VanDerWaalsContact OD1-N 3.1Å; N161-D164 HydrophobicContact CB-CB 4.11Å; N161-D164 PolarHBondContact ND2-OD1 3.49Å; N161-D164 PolarHBondContact ND2-OD2 3.2Å; N161-D164 PolarHBondContact O-N 3.04Å; N161-D164 PolarHBondContact OD1-N 2.83Å; N161-F165 PolarHBondContact O-N 3.33Å
162F97.3Very high98.1Very high45 Ų4555.8 Ų55.820%0.19727%0.268CS..Hα-helixtrans-68.3-26.8-176.2-163.3-94.4000113.5L158 F165 R166 L191 K195L158-F162 HydrophobicContact CD1-CD2 4.34Å; L158-F162 HydrophobicContact CD1-CE2 3.96Å; F162-F165 HydrophobicContact CD2-CD1 4.25Å; F162-F165 AromaticContact CE2-CD1 3.81Å; F162-F165 HydrophobicContact CE2-CD1 3.81Å; F162-F165 HydrophobicContact CE2-CE1 4.25Å; F162-F165 HydrophobicContact CZ-CD1 4.15Å; F162-F165 WeakPolarHBondContact O-CB 3.34Å; F162-F165 PolarHBondContact O-N 3.14Å; F162-R166 WeakPolarHBondContact O-CB 3.46Å; F162-R166 PolarHBondContact O-N 3.01Å; F162-L191 WeakPolarHBondContact CZ-O 3.21Å; F162-K195 HydrophobicContact CD1-CD 4.47Å; F162-K195 HydrophobicContact CD2-CG 4.48Å; F162-K195 HydrophobicContact CE1-CB 4.02Å; F162-K195 HydrophobicContact CE1-CD 4.22Å; F162-K195 HydrophobicContact CE1-CG 4.22Å; F162-K195 VanDerWaalsContact CE2-CA 3.45Å; F162-K195 HydrophobicContact CE2-CB 3.77Å; F162-K195 HydrophobicContact CE2-CG 4.21Å; F162-K195 HydrophobicContact CZ-CB 3.5Å; F162-K195 VanDerWaalsContact CZ-CB 3.5Å; F162-K195 HydrophobicContact CZ-CG 4.08Å
163D97.9Very high98.1Very high107 Ų10755 Ų5557%0.57226%0.26SS*.Hα-helixtrans-71.5-39.4176.5-70.6-37.4000111.2N161 R166 Q167N161-D163 VanDerWaalsContact C-N 3.3Å; N161-D163 PolarHBondContact O-N 3.47Å; N161-D163 PolarHBondContact OD1-N 3.41Å; N161-D163 VanDerWaalsContact OD1-N 3.1Å; D163-R166 WeakPolarHBondContact O-CB 3.44Å; D163-R166 PolarHBondContact O-N 2.9Å; D163-Q167 WeakPolarHBondContact O-CG 3.38Å; D163-Q167 PolarHBondContact O-N 2.96Å; D163-Q167 VanDerWaalsContact O-N 3.15Å
164D98.2Very high98.1Very high70 Ų7060.5 Ų60.537%0.37429%0.285SS..Hα-helixtrans-65.1-42.1172-71.7-10.4000111.1N161 R166 Q167 K168N161-D164 HydrophobicContact CB-CB 4.11Å; N161-D164 PolarHBondContact ND2-OD1 3.49Å; N161-D164 PolarHBondContact ND2-OD2 3.2Å; N161-D164 PolarHBondContact O-N 3.04Å; N161-D164 PolarHBondContact OD1-N 2.83Å; D164-R166 VanDerWaalsContact C-N 3.32Å; D164-R166 PolarHBondContact O-N 3.27Å; D164-Q167 PolarHBondContact O-N 3.13Å; D164-K168 WeakPolarHBondContact O-CG 3.36Å; D164-K168 PolarHBondContact O-N 3.3Å
165F98.7Very high98Very high0 Ų059.1 Ų59.10%029%0.285CS..Hα-helixtrans-56-48.2173.5179.8-97.5000111.3I112 F114 L153 D157 L158 N161 F162 Q167 K168 F169 L191 Y194I112-F165 HydrophobicContact CD1-CE2 4.17Å; F114-F165 HydrophobicContact CE1-CZ 4.02Å; F114-F165 HydrophobicContact CZ-CE2 4.23Å; F114-F165 HydrophobicContact CZ-CZ 4.02Å; L153-F165 HydrophobicContact CB-CE2 4.21Å; L153-F165 HydrophobicContact CD1-CD2 4.13Å; L153-F165 HydrophobicContact CD1-CE2 3.74Å; L153-F165 HydrophobicContact CD1-CZ 4.26Å; L153-F165 HydrophobicContact CD2-CD2 4.49Å; L153-F165 HydrophobicContact CG-CE2 4.43Å; D157-F165 HydrophobicContact CB-CD2 4.25Å; D157-F165 WeakPolarHBondContact O-CB 3.4Å; L158-F165 HydrophobicContact CB-CD2 4.01Å; L158-F165 HydrophobicContact CB-CE2 3.94Å; L158-F165 HydrophobicContact CD1-CD1 4.04Å; L158-F165 HydrophobicContact CD1-CD2 4.11Å; L158-F165 HydrophobicContact CD1-CE1 3.78Å; L158-F165 HydrophobicContact CD1-CE2 3.83Å; L158-F165 HydrophobicContact CD1-CG 4.21Å; L158-F165 HydrophobicContact CD1-CZ 3.67Å; L158-F165 HydrophobicContact CG-CE2 4.48Å; N161-F165 PolarHBondContact O-N 3.33Å; F162-F165 HydrophobicContact CD2-CD1 4.25Å; F162-F165 AromaticContact CE2-CD1 3.81Å; F162-F165 HydrophobicContact CE2-CD1 3.81Å; F162-F165 HydrophobicContact CE2-CE1 4.25Å; F162-F165 HydrophobicContact CZ-CD1 4.15Å; F162-F165 WeakPolarHBondContact O-CB 3.34Å; F162-F165 PolarHBondContact O-N 3.14Å; F165-Q167 PolarHBondContact O-N 3.5Å; F165-K168 PolarHBondContact O-N 2.72Å; F165-F169 HydrophobicContact CE1-CB 4.32Å; F165-F169 HydrophobicContact CZ-CD2 4.45Å; F165-F169 VanDerWaalsContact O-CB 3.29Å; F165-F169 WeakPolarHBondContact O-CB 3.47Å; F165-F169 PolarHBondContact O-N 3.13Å; F165-L191 HydrophobicContact CD1-CD2 4.3Å; F165-L191 HydrophobicContact CE1-CD2 4.21Å; F165-Y194 HydrophobicContact CZ-CD1 4.44Å; F165-Y194 HydrophobicContact CZ-CG 4.3Å
166R98.7Very high97.9Very high103 Ų10359.3 Ų59.339%0.38929%0.286SS..Hα-helixtrans-54.6-50.3178.8171.1176.8-175.2120.213.4111.2F162 D163 D164 F169 V170 E188 L191F162-R166 WeakPolarHBondContact O-CB 3.46Å; F162-R166 PolarHBondContact O-N 3.01Å; D163-R166 WeakPolarHBondContact O-CB 3.44Å; D163-R166 PolarHBondContact O-N 2.9Å; D164-R166 VanDerWaalsContact C-N 3.32Å; D164-R166 PolarHBondContact O-N 3.27Å; R166-F169 PolarHBondContact O-N 3.46Å; R166-V170 WeakPolarHBondContact O-CG2 3.05Å; R166-V170 PolarHBondContact O-N 2.84Å; R166-E188 IonicContact CZ-OE2 3.82Å; R166-E188 IonicContact NH1-OE1 2.83Å; R166-E188 IonicContact NH1-OE2 3.86Å; R166-E188 PolarHBondContact NH1-OE2 3.18Å; R166-E188 IonicContact NH2-OE2 2.74Å; R166-E188 PolarHBondContact NH2-OE2 3.23Å; R166-L191 HydrophobicContact CB-CD2 4.08Å; R166-L191 HydrophobicContact CG-CD1 3.78Å; R166-L191 HydrophobicContact CG-CD2 4.2Å
167Q98.5Very high97.8Very high133 Ų13361.9 Ų61.962%0.62129%0.293SS*.Hα-helixtrans-62.7-45.9-179.2-66.8176.326.600112.1D163 D164 F165 F169 R171D163-Q167 WeakPolarHBondContact O-CG 3.38Å; D163-Q167 PolarHBondContact O-N 2.96Å; D163-Q167 VanDerWaalsContact O-N 3.15Å; D164-Q167 PolarHBondContact O-N 3.13Å; F165-Q167 PolarHBondContact O-N 3.5Å; Q167-F169 PolarHBondContact O-N 2.75Å; Q167-R171 PolarHBondContact O-N 3.39Å; Q167-R171 VanDerWaalsContact O-N 3.1Å
168K98.7Very high97.7Very high90 Ų9066 Ų6639%0.39132%0.319SS..Hα-helixtrans-63.4-41.3178-69.5169.1-178.4167.20111.9L153 D157 D164 F165 R171 L172L153-K168 HydrophobicContact CD1-CB 4.36Å; L153-K168 HydrophobicContact CD2-CB 3.43Å; L153-K168 VanDerWaalsContact CD2-CB 3.43Å; L153-K168 HydrophobicContact CD2-CD 3.63Å; L153-K168 HydrophobicContact CD2-CG 4.14Å; L153-K168 HydrophobicContact CG-CB 4.39Å; D157-K168 IonicContact OD1-NZ 2.99Å; D157-K168 PolarHBondContact OD1-NZ 3.3Å; D164-K168 WeakPolarHBondContact O-CG 3.36Å; D164-K168 PolarHBondContact O-N 3.3Å; F165-K168 PolarHBondContact O-N 2.72Å; K168-R171 PolarHBondContact O-N 3.28Å; K168-L172 WeakPolarHBondContact O-CB 3.49Å; K168-L172 PolarHBondContact O-N 3.37Å
169F98.8Very high97.4Very high0 Ų071.4 Ų71.40%034%0.344CS..Hα-helixtrans-64.8-47.5178.7179.7-96.7000111.8F114 F116 L153 F165 R166 Q167 R171 L172 V173 V187 E190 L191F114-F169 HydrophobicContact CD1-CD2 4.13Å; F114-F169 AromaticContact CD1-CE2 3.55Å; F114-F169 HydrophobicContact CD1-CE2 3.55Å; F114-F169 HydrophobicContact CD2-CE2 4.35Å; F114-F169 AromaticContact CE1-CD2 3.71Å; F114-F169 HydrophobicContact CE1-CD2 3.71Å; F114-F169 AromaticContact CE1-CE2 3.59Å; F114-F169 HydrophobicContact CE1-CE2 3.59Å; F114-F169 HydrophobicContact CE2-CD2 4.22Å; F114-F169 HydrophobicContact CE2-CE2 4.39Å; F114-F169 AromaticContact CG-CE2 3.98Å; F114-F169 HydrophobicContact CG-CE2 3.98Å; F114-F169 AromaticContact CZ-CD2 3.77Å; F114-F169 HydrophobicContact CZ-CD2 3.77Å; F114-F169 HydrophobicContact CZ-CE2 4.04Å; F116-F169 HydrophobicContact CD1-CE2 4.44Å; F116-F169 AromaticContact CE1-CE2 3.77Å; F116-F169 HydrophobicContact CE1-CE2 3.77Å; F116-F169 HydrophobicContact CE1-CZ 4.22Å; L153-F169 HydrophobicContact CD1-CB 3.89Å; L153-F169 HydrophobicContact CD1-CD2 4.23Å; F165-F169 HydrophobicContact CE1-CB 4.32Å; F165-F169 HydrophobicContact CZ-CD2 4.45Å; F165-F169 VanDerWaalsContact O-CB 3.29Å; F165-F169 WeakPolarHBondContact O-CB 3.47Å; F165-F169 PolarHBondContact O-N 3.13Å; R166-F169 PolarHBondContact O-N 3.46Å; Q167-F169 PolarHBondContact O-N 2.75Å; F169-R171 VanDerWaalsContact C-N 3.29Å; F169-R171 PolarHBondContact O-N 2.98Å; F169-L172 PolarHBondContact O-N 3.01Å; F169-L172 VanDerWaalsContact O-N 3.16Å; F169-V173 HydrophobicContact CD1-CG2 4.22Å; F169-V173 HydrophobicContact CE1-CG2 3.75Å; F169-V173 HydrophobicContact CE2-CG2 4.17Å; F169-V173 HydrophobicContact CZ-CG2 3.72Å; F169-V173 WeakPolarHBondContact O-CG2 3.26Å; F169-V173 PolarHBondContact O-N 3.38Å; F169-V187 HydrophobicContact CD1-CG1 4.2Å; F169-V187 HydrophobicContact CE1-CG1 4.15Å; F169-E190 HydrophobicContact CE1-CB 3.72Å; F169-E190 HydrophobicContact CE1-CG 4.47Å; F169-E190 HydrophobicContact CZ-CB 3.49Å; F169-E190 VanDerWaalsContact CZ-CB 3.49Å; F169-E190 HydrophobicContact CZ-CG 3.97Å; F169-L191 HydrophobicContact CB-CD2 4.17Å; F169-L191 HydrophobicContact CD1-CD2 3.71Å; F169-L191 HydrophobicContact CD1-CG 4Å; F169-L191 HydrophobicContact CE1-CD2 4.46Å; F169-L191 HydrophobicContact CE1-CG 4.37Å; F169-L191 HydrophobicContact CG-CD2 4.13Å
170V98.6Very high97.2Very high41 Ų4170.8 Ų70.825%0.24834%0.34CS..Hα-helixtrans-55-47.8175.5171.80000110.2R166 V173 Q174 V187R166-V170 WeakPolarHBondContact O-CG2 3.05Å; R166-V170 PolarHBondContact O-N 2.84Å; V170-V173 PolarHBondContact O-N 3.15Å; V170-Q174 VanDerWaalsContact O-CG 3.3Å; V170-Q174 WeakPolarHBondContact O-CG 3.41Å; V170-Q174 PolarHBondContact O-N 3.42Å; V170-V187 HydrophobicContact CG2-CG1 3.76Å
171R98.2Very high97.1Very high171 Ų17170.2 Ų70.265%0.64534%0.343SS*.Hα-helixtrans-62.6-43.1178-178.4176179.6173.40.8112.3Q167 K168 F169 Q174 L175Q167-R171 PolarHBondContact O-N 3.39Å; Q167-R171 VanDerWaalsContact O-N 3.1Å; K168-R171 PolarHBondContact O-N 3.28Å; F169-R171 VanDerWaalsContact C-N 3.29Å; F169-R171 PolarHBondContact O-N 2.98Å; R171-Q174 PolarHBondContact O-N 2.98Å; R171-L175 HydrophobicContact CG-CD1 4.11Å; R171-L175 HydrophobicContact CG-CG 4.49Å; R171-L175 WeakPolarHBondContact O-CG 3.28Å; R171-L175 PolarHBondContact O-N 2.79Å
172L98.6Very high96.9Very high3 Ų371.5 Ų71.52%0.01636%0.357CS..Hα-helixtrans-60.3-47177.6177.258.5000111F114 F116 N151 L153 K168 F169 Q174 L175 T176F114-L172 HydrophobicContact CD2-CD2 4.13Å; F114-L172 HydrophobicContact CE2-CD2 3.9Å; F116-L172 HydrophobicContact CE2-CG 4.45Å; F116-L172 HydrophobicContact CZ-CD2 3.81Å; F116-L172 HydrophobicContact CZ-CG 3.86Å; N151-L172 HydrophobicContact CB-CD1 4.44Å; N151-L172 WeakPolarHBondContact ND2-CD1 3.27Å; L153-L172 HydrophobicContact CD1-CD2 4.41Å; K168-L172 WeakPolarHBondContact O-CB 3.49Å; K168-L172 PolarHBondContact O-N 3.37Å; F169-L172 PolarHBondContact O-N 3.01Å; F169-L172 VanDerWaalsContact O-N 3.16Å; L172-Q174 PolarHBondContact O-N 3.42Å; L172-L175 PolarHBondContact O-N 3.31Å; L172-T176 WeakPolarHBondContact O-CB 3.44Å; L172-T176 PolarHBondContact O-N 2.88Å; L172-T176 PolarHBondContact O-OG1 3.33Å
173V98.5Very high96.8Very high2 Ų269.6 Ų69.61%0.01235%0.35CS..Hα-helixtrans-61.8-44.3176.9173.50000111.3F116 F169 V170 L175 T176 K177 V185 V187F116-V173 HydrophobicContact CD1-CG2 4.2Å; F116-V173 HydrophobicContact CE1-CG2 3.89Å; F116-V173 HydrophobicContact CZ-CG2 4.4Å; F169-V173 HydrophobicContact CD1-CG2 4.22Å; F169-V173 HydrophobicContact CE1-CG2 3.75Å; F169-V173 HydrophobicContact CE2-CG2 4.17Å; F169-V173 HydrophobicContact CZ-CG2 3.72Å; F169-V173 WeakPolarHBondContact O-CG2 3.26Å; F169-V173 PolarHBondContact O-N 3.38Å; V170-V173 PolarHBondContact O-N 3.15Å; V173-L175 PolarHBondContact O-N 2.89Å; V173-T176 PolarHBondContact O-N 3.08Å; V173-K177 HydrophobicContact CG1-CD 4.37Å; V173-K177 HydrophobicContact CG1-CG 4.39Å; V173-K177 WeakPolarHBondContact O-CG 3.27Å; V173-K177 PolarHBondContact O-N 3.42Å; V173-V185 HydrophobicContact CG1-CB 3.9Å; V173-V185 HydrophobicContact CG1-CG1 4.02Å; V173-V185 HydrophobicContact CG1-CG2 4.28Å; V173-V185 HydrophobicContact CG2-CG1 4.14Å; V173-V187 HydrophobicContact CB-CG2 4.35Å; V173-V187 HydrophobicContact CG1-CG2 3.93Å
174Q97.4Very high96.6Very high118 Ų11871.2 Ų71.255%0.55136%0.358SS*.Hα-helixtrans-58.7-48.1177.4-75.3170.9-15.200112V170 R171 L172 T176 K177 V178V170-Q174 VanDerWaalsContact O-CG 3.3Å; V170-Q174 WeakPolarHBondContact O-CG 3.41Å; V170-Q174 PolarHBondContact O-N 3.42Å; R171-Q174 PolarHBondContact O-N 2.98Å; L172-Q174 PolarHBondContact O-N 3.42Å; Q174-T176 VanDerWaalsContact C-N 3.3Å; Q174-T176 PolarHBondContact O-N 3.17Å; Q174-K177 PolarHBondContact O-N 3.46Å; Q174-V178 PolarHBondContact O-N 3.22Å
175L97Very high96.6Very high68 Ų6868.6 Ų68.636%0.35634%0.344SS..Hα-helixtrans-63.7-36.2177.9-70.3172.9000112.3R171 L172 V173 V178R171-L175 HydrophobicContact CG-CD1 4.11Å; R171-L175 HydrophobicContact CG-CG 4.49Å; R171-L175 WeakPolarHBondContact O-CG 3.28Å; R171-L175 PolarHBondContact O-N 2.79Å; L172-L175 PolarHBondContact O-N 3.31Å; V173-L175 PolarHBondContact O-N 2.89Å; L175-V178 PolarHBondContact O-N 3.24Å
176T97.1Very high96.5Very high4 Ų472.4 Ų72.43%0.02537%0.37CS..Hα-helixtrans-68.9-40.2175.9-55.20000111.4F116 I120 L172 V173 Q174 V178 Q179 F180 L183F116-T176 HydrophobicContact CD2-CG2 4.09Å; F116-T176 HydrophobicContact CE2-CG2 4.23Å; I120-T176 HydrophobicContact CD1-CG2 3.75Å; I120-T176 HydrophobicContact CG2-CG2 3.99Å; L172-T176 WeakPolarHBondContact O-CB 3.44Å; L172-T176 PolarHBondContact O-N 2.88Å; L172-T176 PolarHBondContact O-OG1 3.33Å; V173-T176 PolarHBondContact O-N 3.08Å; Q174-T176 VanDerWaalsContact C-N 3.3Å; Q174-T176 PolarHBondContact O-N 3.17Å; T176-V178 VanDerWaalsContact C-N 3.26Å; T176-V178 PolarHBondContact O-N 2.72Å; T176-Q179 PolarHBondContact O-N 2.82Å; T176-F180 HydrophobicContact CG2-CD2 4Å; T176-F180 PolarHBondContact O-N 3.33Å; T176-L183 HydrophobicContact CG2-CD2 3.46Å; T176-L183 VanDerWaalsContact CG2-CD2 3.46Å
177K96.8Very high96.5Very high76 Ų7669.4 Ų69.433%0.3336%0.364SS..Hα-helixtrans-63.3-29.3175.9-75.3-170179.5-166.90113.3V173 Q174 Q179 F180 P181 L183V173-K177 HydrophobicContact CG1-CD 4.37Å; V173-K177 HydrophobicContact CG1-CG 4.39Å; V173-K177 WeakPolarHBondContact O-CG 3.27Å; V173-K177 PolarHBondContact O-N 3.42Å; Q174-K177 PolarHBondContact O-N 3.46Å; K177-Q179 VanDerWaalsContact C-N 3.31Å; K177-F180 CarbonylContact O-C 3.55Å; K177-P181 WeakPolarHBondContact O-CA 3.36Å; K177-L183 VanDerWaalsContact CE-O 3.3Å; K177-L183 WeakPolarHBondContact CE-O 3.42Å; K177-L183 HydrophobicContact CG-CB 4.48Å; K177-L183 HydrophobicContact CG-CD2 4.4Å
178V95.4Very high96.5Very high118 Ų11867 Ų6772%0.71535%0.352SS*.Hα-helixtrans-63.9-39.1171.7173.40000111.2Q174 L175 T176Q174-V178 PolarHBondContact O-N 3.22Å; L175-V178 PolarHBondContact O-N 3.24Å; T176-V178 VanDerWaalsContact C-N 3.26Å; T176-V178 PolarHBondContact O-N 2.72Å
179Q91.7Very high96.5Very high114 Ų11465.7 Ų65.753%0.53335%0.354SS..Hα-helixtrans-79.1-32.1178.4-68.5173.656.400112.7T176 K177T176-Q179 PolarHBondContact O-N 2.82Å; K177-Q179 VanDerWaalsContact C-N 3.31Å
180F94Very high96.5Very high30 Ų3066.8 Ų66.813%0.13236%0.36CS..  trans-128.683.2-178.7-59.6-85.3000109.7I120 L123 R124 T176 K177 S182 L183I120-F180 HydrophobicContact CB-CD1 4.4Å; I120-F180 HydrophobicContact CB-CD2 4.08Å; I120-F180 HydrophobicContact CB-CE1 4.33Å; I120-F180 HydrophobicContact CB-CE2 4.01Å; I120-F180 HydrophobicContact CB-CG 4.28Å; I120-F180 HydrophobicContact CB-CZ 4.14Å; I120-F180 HydrophobicContact CD1-CE2 4.38Å; I120-F180 HydrophobicContact CG2-CB 4.16Å; I120-F180 HydrophobicContact CG2-CD1 4.27Å; I120-F180 HydrophobicContact CG2-CD2 3.69Å; I120-F180 HydrophobicContact CG2-CE2 4.14Å; I120-F180 HydrophobicContact CG2-CG 3.77Å; L123-F180 HydrophobicContact CD1-CD1 4.33Å; R124-F180 HydrophobicContact CG-CE1 3.99Å; R124-F180 HydrophobicContact CG-CZ 4.02Å; T176-F180 HydrophobicContact CG2-CD2 4Å; T176-F180 PolarHBondContact O-N 3.33Å; K177-F180 CarbonylContact O-C 3.55Å; F180-S182 PolarHBondContact O-N 3.05Å; F180-S182 VanDerWaalsContact O-N 3.14Å; F180-L183 HydrophobicContact CB-CB 3.97Å; F180-L183 WeakPolarHBondContact O-CB 3.11Å; F180-L183 PolarHBondContact O-N 2.87Å
181P93.5Very high96.5Very high115 Ų11565 Ų6575%0.74735%0.348SS*.THydrogen-bonded Turntrans-60.8-24.8-176.2-27.236.4000114.5K177 L183K177-P181 WeakPolarHBondContact O-CA 3.36Å; P181-L183 VanDerWaalsContact C-N 3.27Å; P181-L183 PolarHBondContact O-N 2.77Å
182S92.1Very high96.5Very high93 Ų9362 Ų6265%0.6534%0.342SS*.THydrogen-bonded Turntrans-78.6-6.1175.356.40000114F180 D184F180-S182 PolarHBondContact O-N 3.05Å; F180-S182 VanDerWaalsContact O-N 3.14Å; S182-D184 PolarHBondContact O-N 2.75Å
183L95.1Very high96.5Very high6 Ų664 Ų643%0.03135%0.35CS..  trans-70.8113.4-179.8176.163.8000110.7F116 V119 I120 T176 K177 F180 P181 V185F116-L183 HydrophobicContact CB-CD1 3.96Å; F116-L183 HydrophobicContact CB-CD2 4.15Å; F116-L183 HydrophobicContact CD2-CD2 4.3Å; V119-L183 HydrophobicContact CB-CD1 4.09Å; V119-L183 HydrophobicContact CG1-CD1 3.79Å; I120-L183 HydrophobicContact CG2-CD1 4.16Å; I120-L183 HydrophobicContact CG2-CD2 3.96Å; I120-L183 HydrophobicContact CG2-CG 4.47Å; T176-L183 HydrophobicContact CG2-CD2 3.46Å; T176-L183 VanDerWaalsContact CG2-CD2 3.46Å; K177-L183 VanDerWaalsContact CE-O 3.3Å; K177-L183 WeakPolarHBondContact CE-O 3.42Å; K177-L183 HydrophobicContact CG-CB 4.48Å; K177-L183 HydrophobicContact CG-CD2 4.4Å; F180-L183 HydrophobicContact CB-CB 3.97Å; F180-L183 WeakPolarHBondContact O-CB 3.11Å; F180-L183 PolarHBondContact O-N 2.87Å; P181-L183 VanDerWaalsContact C-N 3.27Å; P181-L183 PolarHBondContact O-N 2.77Å; L183-V185 HydrophobicContact CD1-CG2 3.88Å; L183-V185 HydrophobicContact CD2-CG2 4.05Å; L183-V185 HydrophobicContact CG-CG2 3.8Å
184D94.1Very high96.5Very high140 Ų14063.9 Ų63.975%0.74935%0.35SS*.  trans-95.5129.5169.3-169.923.9000111.6S182S182-D184 PolarHBondContact O-N 2.75Å
185V96.8Very high96.5Very high15 Ų1563.3 Ų63.39%0.09135%0.345CS..  trans-146115.8179.2178.90000107.8F116 V173 L183 V187 E190F116-V185 HydrophobicContact CB-CG2 3.58Å; F116-V185 HydrophobicContact CG-CG2 4.26Å; V173-V185 HydrophobicContact CG1-CB 3.9Å; V173-V185 HydrophobicContact CG1-CG1 4.02Å; V173-V185 HydrophobicContact CG1-CG2 4.28Å; V173-V185 HydrophobicContact CG2-CG1 4.14Å; L183-V185 HydrophobicContact CD1-CG2 3.88Å; L183-V185 HydrophobicContact CD2-CG2 4.05Å; L183-V185 HydrophobicContact CG-CG2 3.8Å; V185-V187 HydrophobicContact CG1-CG2 4.43Å; V185-V187 PolarHBondContact O-N 2.86Å; V185-V187 VanDerWaalsContact O-N 3.15Å; V185-E190 HydrophobicContact CG1-CG 3.95Å
186C97.6Very high96.6Very high81 Ų8167 Ų6755%0.54736%0.358SS..  trans-78.492.8168-176.80000109.3E188 S189 E190C186-E188 VanDerWaalsContact C-N 3.31Å; C186-E188 PolarHBondContact O-N 2.99Å; C186-S189 PolarHBondContact O-N 2.83Å; C186-S189 VanDerWaalsContact SG-CB 3.55Å; C186-E190 PolarHBondContact O-N 3.33Å
187V98.2Very high96.7Very high40 Ų4068.9 Ų68.924%0.24237%0.365CS..Hα-helixtrans-56.1-43.7-174.2172.80000112.2F169 V170 V173 V185 E190 L191F169-V187 HydrophobicContact CD1-CG1 4.2Å; F169-V187 HydrophobicContact CE1-CG1 4.15Å; V170-V187 HydrophobicContact CG2-CG1 3.76Å; V173-V187 HydrophobicContact CB-CG2 4.35Å; V173-V187 HydrophobicContact CG1-CG2 3.93Å; V185-V187 HydrophobicContact CG1-CG2 4.43Å; V185-V187 PolarHBondContact O-N 2.86Å; V185-V187 VanDerWaalsContact O-N 3.15Å; V187-E190 PolarHBondContact O-N 3.14Å; V187-L191 HydrophobicContact CG1-CD1 3.79Å; V187-L191 HydrophobicContact CG1-CG 4.3Å; V187-L191 WeakPolarHBondContact O-CB 3.26Å; V187-L191 VanDerWaalsContact O-CG 3.24Å; V187-L191 WeakPolarHBondContact O-CG 3.39Å; V187-L191 PolarHBondContact O-N 3.23Å
188E98Very high96.8Very high82 Ų8265.7 Ų65.738%0.38335%0.353SS..Hα-helixtrans-67-39.6-178.3-170.858.3-141.100111.9R166 C186 L191 Q192R166-E188 IonicContact CZ-OE2 3.82Å; R166-E188 IonicContact NH1-OE1 2.83Å; R166-E188 IonicContact NH1-OE2 3.86Å; R166-E188 PolarHBondContact NH1-OE2 3.18Å; R166-E188 IonicContact NH2-OE2 2.74Å; R166-E188 PolarHBondContact NH2-OE2 3.23Å; C186-E188 VanDerWaalsContact C-N 3.31Å; C186-E188 PolarHBondContact O-N 2.99Å; E188-L191 PolarHBondContact O-N 2.88Å; E188-Q192 VanDerWaalsContact O-CG 3.3Å; E188-Q192 WeakPolarHBondContact O-CG 3.24Å; E188-Q192 PolarHBondContact O-N 2.8Å; E188-Q192 PolarHBondContact OE1-NE2 3.4Å
189S98.5Very high96.9Very high62 Ų6265.4 Ų65.443%0.43434%0.344SS..Hα-helixtrans-62.9-44.3174.4179.80000111.7C186 Q192 K193C186-S189 PolarHBondContact O-N 2.83Å; C186-S189 VanDerWaalsContact SG-CB 3.55Å; S189-Q192 PolarHBondContact O-N 2.71Å; S189-K193 WeakPolarHBondContact O-CB 3.36Å; S189-K193 PolarHBondContact O-N 3.06Å
190E98.5Very high97.2Very high24 Ų2464 Ų6411%0.11234%0.336CS..Hα-helixtrans-61.4-46.7176.1-72.5-60.299.200111.3F169 V185 C186 V187 Q192 K193 Y194F169-E190 HydrophobicContact CE1-CB 3.72Å; F169-E190 HydrophobicContact CE1-CG 4.47Å; F169-E190 HydrophobicContact CZ-CB 3.49Å; F169-E190 VanDerWaalsContact CZ-CB 3.49Å; F169-E190 HydrophobicContact CZ-CG 3.97Å; V185-E190 HydrophobicContact CG1-CG 3.95Å; C186-E190 PolarHBondContact O-N 3.33Å; V187-E190 PolarHBondContact O-N 3.14Å; E190-Q192 PolarHBondContact O-N 3.35Å; E190-K193 WeakPolarHBondContact O-CB 3.3Å; E190-K193 PolarHBondContact O-N 2.84Å; E190-K193 VanDerWaalsContact O-N 3.17Å; E190-K193 WeakPolarHBondContact OE1-CE 3.27Å; E190-K193 IonicContact OE1-NZ 3.98Å; E190-K193 PolarHBondContact OE1-NZ 3.38Å; E190-K193 WeakPolarHBondContact OE2-CE 3.32Å; E190-K193 IonicContact OE2-NZ 3.5Å; E190-K193 PolarHBondContact OE2-NZ 2.99Å; E190-Y194 VanDerWaalsContact O-CD2 3.26Å; E190-Y194 WeakPolarHBondContact O-CD2 3.35Å; E190-Y194 PolarHBondContact O-N 3.15Å
191L98.7Very high97.4Very high3 Ų362.6 Ų62.62%0.01633%0.33CS..Hα-helixtrans-59.7-44.8178-71169.3000111.8F162 F165 R166 F169 V187 E188 K193 Y194 K195F162-L191 WeakPolarHBondContact CZ-O 3.21Å; F165-L191 HydrophobicContact CD1-CD2 4.3Å; F165-L191 HydrophobicContact CE1-CD2 4.21Å; R166-L191 HydrophobicContact CB-CD2 4.08Å; R166-L191 HydrophobicContact CG-CD1 3.78Å; R166-L191 HydrophobicContact CG-CD2 4.2Å; F169-L191 HydrophobicContact CB-CD2 4.17Å; F169-L191 HydrophobicContact CD1-CD2 3.71Å; F169-L191 HydrophobicContact CD1-CG 4Å; F169-L191 HydrophobicContact CE1-CD2 4.46Å; F169-L191 HydrophobicContact CE1-CG 4.37Å; F169-L191 HydrophobicContact CG-CD2 4.13Å; V187-L191 HydrophobicContact CG1-CD1 3.79Å; V187-L191 HydrophobicContact CG1-CG 4.3Å; V187-L191 WeakPolarHBondContact O-CB 3.26Å; V187-L191 VanDerWaalsContact O-CG 3.24Å; V187-L191 WeakPolarHBondContact O-CG 3.39Å; V187-L191 PolarHBondContact O-N 3.23Å; E188-L191 PolarHBondContact O-N 2.88Å; L191-K193 VanDerWaalsContact C-N 3.31Å; L191-K193 PolarHBondContact O-N 3Å; L191-Y194 PolarHBondContact O-N 2.88Å; L191-K195 WeakPolarHBondContact O-CB 3.26Å; L191-K195 PolarHBondContact O-N 3.29Å
192Q98.5Very high97.6Very high108 Ų10861.3 Ų61.351%0.50532%0.32SS..Hα-helixtrans-61.1-40.9176.2-71.9174.313.700112.2E188 S189 E190 K196E188-Q192 VanDerWaalsContact O-CG 3.3Å; E188-Q192 WeakPolarHBondContact O-CG 3.24Å; E188-Q192 PolarHBondContact O-N 2.8Å; E188-Q192 PolarHBondContact OE1-NE2 3.4Å; S189-Q192 PolarHBondContact O-N 2.71Å; E190-Q192 PolarHBondContact O-N 3.35Å; Q192-K196 WeakPolarHBondContact O-CG 3.36Å; Q192-K196 PolarHBondContact O-N 3.44Å
193K98.5Very high97.8Very high44 Ų4461.3 Ų61.319%0.19132%0.32CS..Hα-helixtrans-62-49175.5-178.6-176.871.8-165.70111.3D115 S189 E190 L191 K195 K196 Y197D115-K193 IonicContact OD2-NZ 2.65Å; D115-K193 PolarHBondContact OD2-NZ 3.47Å; S189-K193 WeakPolarHBondContact O-CB 3.36Å; S189-K193 PolarHBondContact O-N 3.06Å; E190-K193 WeakPolarHBondContact O-CB 3.3Å; E190-K193 PolarHBondContact O-N 2.84Å; E190-K193 VanDerWaalsContact O-N 3.17Å; E190-K193 WeakPolarHBondContact OE1-CE 3.27Å; E190-K193 IonicContact OE1-NZ 3.98Å; E190-K193 PolarHBondContact OE1-NZ 3.38Å; E190-K193 WeakPolarHBondContact OE2-CE 3.32Å; E190-K193 IonicContact OE2-NZ 3.5Å; E190-K193 PolarHBondContact OE2-NZ 2.99Å; L191-K193 VanDerWaalsContact C-N 3.31Å; L191-K193 PolarHBondContact O-N 3Å; K193-K195 PolarHBondContact O-N 2.7Å; K193-K196 WeakPolarHBondContact O-CB 3.17Å; K193-K196 PolarHBondContact O-N 2.94Å; K193-Y197 HydrophobicContact CD-CE2 4.1Å; K193-Y197 HydrophobicContact CG-CD2 4.19Å; K193-Y197 HydrophobicContact CG-CE2 3.62Å; K193-Y197 WeakPolarHBondContact O-CD2 3.36Å; K193-Y197 PolarHBondContact O-N 3.11Å
194Y98.7Very high98Very high0 Ų062.3 Ų62.30%033%0.325CS..Hα-helixtrans-69.6-30.8-179.3-82.9-82.1000113L82 I112 V113 F114 L158 F165 E190 L191 K196 Y197 A198L82-Y194 HydrophobicContact CB-CE1 4.49Å; L82-Y194 HydrophobicContact CD1-CD1 3.97Å; L82-Y194 HydrophobicContact CD1-CE1 3.86Å; L82-Y194 HydrophobicContact CG-CE1 4.45Å; I112-Y194 HydrophobicContact CG2-CE1 3.63Å; V113-Y194 PolarHBondContact O-OH 3.01Å; F114-Y194 HydrophobicContact CD1-CD2 4.22Å; F114-Y194 AromaticContact CD1-CE1 3.96Å; F114-Y194 HydrophobicContact CD1-CE1 3.96Å; F114-Y194 AromaticContact CD1-CE2 3.43Å; F114-Y194 HydrophobicContact CD1-CE2 3.43Å; F114-Y194 VanDerWaalsContact CD1-CE2 3.43Å; F114-Y194 AromaticContact CD1-CZ 3.27Å; F114-Y194 WeakPolarHBondContact CD1-OH 3.37Å; F114-Y194 HydrophobicContact CE1-CD1 4.15Å; F114-Y194 HydrophobicContact CE1-CD2 4.11Å; F114-Y194 AromaticContact CE1-CE1 3.73Å; F114-Y194 HydrophobicContact CE1-CE1 3.73Å; F114-Y194 AromaticContact CE1-CE2 3.73Å; F114-Y194 HydrophobicContact CE1-CE2 3.73Å; F114-Y194 HydrophobicContact CE1-CG 4.34Å; F114-Y194 AromaticContact CE1-CZ 3.52Å; L158-Y194 HydrophobicContact CD1-CD1 4.32Å; L158-Y194 HydrophobicContact CD2-CD1 4.14Å; F165-Y194 HydrophobicContact CZ-CD1 4.44Å; F165-Y194 HydrophobicContact CZ-CG 4.3Å; E190-Y194 VanDerWaalsContact O-CD2 3.26Å; E190-Y194 WeakPolarHBondContact O-CD2 3.35Å; E190-Y194 PolarHBondContact O-N 3.15Å; L191-Y194 PolarHBondContact O-N 2.88Å; Y194-K196 VanDerWaalsContact C-N 3.34Å; Y194-K196 PolarHBondContact O-N 3.14Å; Y194-Y197 HydrophobicContact CD1-CD2 4.2Å; Y194-Y197 HydrophobicContact CE1-CD2 4.42Å; Y194-Y197 PolarHBondContact O-N 2.86Å; Y194-Y197 VanDerWaalsContact O-N 3.14Å; Y194-A198 PolarHBondContact O-N 3.1Å
195K98.6Very high98.1Very high106 Ų10657.5 Ų57.546%0.46131%0.309SS..Hα-helixtrans-57.7-46.5171-168.5172.8178.5175.40111.8F162 L191 K193 Y197 A198 E199F162-K195 HydrophobicContact CD1-CD 4.47Å; F162-K195 HydrophobicContact CD2-CG 4.48Å; F162-K195 HydrophobicContact CE1-CB 4.02Å; F162-K195 HydrophobicContact CE1-CD 4.22Å; F162-K195 HydrophobicContact CE1-CG 4.22Å; F162-K195 VanDerWaalsContact CE2-CA 3.45Å; F162-K195 HydrophobicContact CE2-CB 3.77Å; F162-K195 HydrophobicContact CE2-CG 4.21Å; F162-K195 HydrophobicContact CZ-CB 3.5Å; F162-K195 VanDerWaalsContact CZ-CB 3.5Å; F162-K195 HydrophobicContact CZ-CG 4.08Å; L191-K195 WeakPolarHBondContact O-CB 3.26Å; L191-K195 PolarHBondContact O-N 3.29Å; K193-K195 PolarHBondContact O-N 2.7Å; K195-Y197 VanDerWaalsContact C-N 3.29Å; K195-Y197 PolarHBondContact O-N 2.98Å; K195-A198 WeakPolarHBondContact O-CB 3.29Å; K195-A198 PolarHBondContact O-N 3.34Å; K195-A198 VanDerWaalsContact O-N 3.16Å; K195-E199 WeakPolarHBondContact O-CG 3.45Å; K195-E199 PolarHBondContact O-N 2.86Å
196K98.6Very high98.2Very high145 Ų14556.8 Ų56.863%0.6331%0.305SS*.Hα-helixtrans-61.8-37.3175.4-66.5174.3-178177.30112.1Q192 K193 Y194 K200Q192-K196 WeakPolarHBondContact O-CG 3.36Å; Q192-K196 PolarHBondContact O-N 3.44Å; K193-K196 WeakPolarHBondContact O-CB 3.17Å; K193-K196 PolarHBondContact O-N 2.94Å; Y194-K196 VanDerWaalsContact C-N 3.34Å; Y194-K196 PolarHBondContact O-N 3.14Å; K196-K200 VanDerWaalsContact O-CB 3.31Å; K196-K200 WeakPolarHBondContact O-CB 3.33Å; K196-K200 PolarHBondContact O-N 2.9Å
197Y98.6Very high98.2Very high44 Ų4454.2 Ų54.217%0.17329%0.287CS..Hα-helixtrans-68.6-38174.7-69.4-47.1000112.7L82 P83 F86 K193 Y194 K195 K200 L201L82-Y197 HydrophobicContact CB-CD2 3.97Å; L82-Y197 HydrophobicContact CB-CE2 4.23Å; L82-Y197 HydrophobicContact CB-CG 4.14Å; L82-Y197 HydrophobicContact CD1-CD2 4.29Å; L82-Y197 HydrophobicContact CD1-CG 4.23Å; P83-Y197 WeakPolarHBondContact CA-OH 3.38Å; P83-Y197 HydrophobicContact CG-CE2 3.87Å; P83-Y197 WeakPolarHBondContact CG-OH 3.44Å; F86-Y197 AromaticContact CD2-CD1 3.42Å; F86-Y197 HydrophobicContact CD2-CD1 3.42Å; F86-Y197 VanDerWaalsContact CD2-CD1 3.42Å; F86-Y197 AromaticContact CD2-CE1 3.41Å; F86-Y197 HydrophobicContact CD2-CE1 3.41Å; F86-Y197 VanDerWaalsContact CD2-CE1 3.41Å; F86-Y197 HydrophobicContact CD2-CG 4.45Å; F86-Y197 AromaticContact CE2-CD1 3.31Å; F86-Y197 HydrophobicContact CE2-CD1 3.31Å; F86-Y197 AromaticContact CE2-CE1 3.85Å; F86-Y197 HydrophobicContact CE2-CE1 3.85Å; F86-Y197 HydrophobicContact CE2-CG 4.12Å; F86-Y197 HydrophobicContact CG-CE1 4.32Å; F86-Y197 HydrophobicContact CZ-CD1 4.37Å; K193-Y197 HydrophobicContact CD-CE2 4.1Å; K193-Y197 HydrophobicContact CG-CD2 4.19Å; K193-Y197 HydrophobicContact CG-CE2 3.62Å; K193-Y197 WeakPolarHBondContact O-CD2 3.36Å; K193-Y197 PolarHBondContact O-N 3.11Å; Y194-Y197 HydrophobicContact CD1-CD2 4.2Å; Y194-Y197 HydrophobicContact CE1-CD2 4.42Å; Y194-Y197 PolarHBondContact O-N 2.86Å; Y194-Y197 VanDerWaalsContact O-N 3.14Å; K195-Y197 VanDerWaalsContact C-N 3.29Å; K195-Y197 PolarHBondContact O-N 2.98Å; Y197-K200 PolarHBondContact O-N 2.81Å; Y197-L201 WeakPolarHBondContact O-CB 3.5Å; Y197-L201 VanDerWaalsContact O-CG 3.25Å; Y197-L201 WeakPolarHBondContact O-CG 3.36Å; Y197-L201 PolarHBondContact O-N 2.95Å
198A98.5Very high98.2Very high9 Ų956.5 Ų56.57%0.07429%0.291CS..Hα-helixtrans-59-52173.900000110.6L158 Y194 K195 K200 L201 T202L158-A198 HydrophobicContact CD1-CB 4Å; L158-A198 HydrophobicContact CG-CB 3.87Å; L158-A198 WeakPolarHBondContact O-CB 3.36Å; Y194-A198 PolarHBondContact O-N 3.1Å; K195-A198 WeakPolarHBondContact O-CB 3.29Å; K195-A198 PolarHBondContact O-N 3.34Å; K195-A198 VanDerWaalsContact O-N 3.16Å; A198-K200 VanDerWaalsContact C-N 3.31Å; A198-K200 PolarHBondContact O-N 2.97Å; A198-L201 PolarHBondContact O-N 3.16Å; A198-T202 WeakPolarHBondContact O-CB 3.14Å; A198-T202 PolarHBondContact O-N 3.44Å; A198-T202 PolarHBondContact O-OG1 3.27Å; A198-T202 VanDerWaalsContact O-OG1 3.09Å
199E98.2Very high98.2Very high113 Ų11355.6 Ų55.653%0.52829%0.289SS..Hα-helixtrans-56.2-45176.3-70166.3-175.300111.6K195 T202 S203K195-E199 WeakPolarHBondContact O-CG 3.45Å; K195-E199 PolarHBondContact O-N 2.86Å; E199-T202 PolarHBondContact O-N 3.02Å; E199-S203 VanDerWaalsContact O-CB 3.3Å; E199-S203 WeakPolarHBondContact O-CB 3.24Å; E199-S203 PolarHBondContact O-N 3.46Å; E199-S203 PolarHBondContact O-OG 2.81Å
200K98.1Very high98.2Very high83 Ų8352.7 Ų52.736%0.36127%0.268SS..Hα-helixtrans-64.2-47.8178.3-170.1169.7-177.6-178.80111.8F86 K196 Y197 A198 T202 S203 L204F86-K200 HydrophobicContact CD1-CD 3.97Å; F86-K200 HydrophobicContact CE1-CD 3.53Å; F86-K200 VanDerWaalsContact CE1-CE 3.48Å; F86-K200 HydrophobicContact CE1-CG 3.83Å; F86-K200 HydrophobicContact CE2-CD 4.38Å; F86-K200 HydrophobicContact CZ-CB 4.24Å; F86-K200 HydrophobicContact CZ-CD 3.76Å; F86-K200 HydrophobicContact CZ-CG 3.86Å; K196-K200 VanDerWaalsContact O-CB 3.31Å; K196-K200 WeakPolarHBondContact O-CB 3.33Å; K196-K200 PolarHBondContact O-N 2.9Å; Y197-K200 PolarHBondContact O-N 2.81Å; A198-K200 VanDerWaalsContact C-N 3.31Å; A198-K200 PolarHBondContact O-N 2.97Å; K200-T202 VanDerWaalsContact C-N 3.32Å; K200-T202 PolarHBondContact O-N 3.49Å; K200-S203 WeakPolarHBondContact CA-OG 3.43Å; K200-S203 PolarHBondContact O-N 2.81Å; K200-S203 PolarHBondContact O-OG 3.43Å; K200-L204 HydrophobicContact CG-CD1 3.71Å; K200-L204 HydrophobicContact CG-CG 4.37Å; K200-L204 WeakPolarHBondContact O-CB 3.49Å; K200-L204 WeakPolarHBondContact O-CG 3.3Å; K200-L204 PolarHBondContact O-N 3.1Å
201L98.4Very high98.1Very high1 Ų154 Ų541%0.00528%0.278CS..Hα-helixtrans-59-43.1177.6-74.4171.3000112.1L82 F86 I106 I155 L158 I159 Y197 A198 G205 L206 V207L82-L201 HydrophobicContact CD1-CD1 4.2Å; L82-L201 HydrophobicContact CD2-CD1 4.06Å; F86-L201 HydrophobicContact CZ-CD2 3.99Å; F86-L201 HydrophobicContact CZ-CG 4.2Å; I106-L201 HydrophobicContact CD1-CD2 3.79Å; I155-L201 HydrophobicContact CD1-CD1 4.46Å; I155-L201 HydrophobicContact CG2-CD1 4.44Å; L158-L201 HydrophobicContact CD2-CD1 4.27Å; I159-L201 HydrophobicContact CG2-CB 4.17Å; I159-L201 HydrophobicContact CG2-CD1 4.18Å; Y197-L201 WeakPolarHBondContact O-CB 3.5Å; Y197-L201 VanDerWaalsContact O-CG 3.25Å; Y197-L201 WeakPolarHBondContact O-CG 3.36Å; Y197-L201 PolarHBondContact O-N 2.95Å; A198-L201 PolarHBondContact O-N 3.16Å; L201-G205 PolarHBondContact O-N 3.34Å; L201-L206 HydrophobicContact CD2-CD1 4.41Å; L201-V207 HydrophobicContact CB-CG2 4.19Å; L201-V207 HydrophobicContact CD2-CG2 4.34Å
202T96.9Very high98.1Very high89 Ų8960.7 Ų60.755%0.54630%0.303SS..Hα-helixtrans-65-48.4176.9-60.80000111.3A198 E199 K200 L204 G205A198-T202 WeakPolarHBondContact O-CB 3.14Å; A198-T202 PolarHBondContact O-N 3.44Å; A198-T202 PolarHBondContact O-OG1 3.27Å; A198-T202 VanDerWaalsContact O-OG1 3.09Å; E199-T202 PolarHBondContact O-N 3.02Å; K200-T202 VanDerWaalsContact C-N 3.32Å; K200-T202 PolarHBondContact O-N 3.49Å; T202-L204 VanDerWaalsContact C-N 3.25Å; T202-L204 PolarHBondContact O-N 2.82Å; T202-G205 PolarHBondContact O-N 2.96Å; T202-G205 VanDerWaalsContact O-N 3.13Å
203S97.8Very high98Very high93 Ų9358.5 Ų58.565%0.6529%0.29SS*.Hα-helixtrans-60.2-34179.672.20000113.4E199 K200E199-S203 VanDerWaalsContact O-CB 3.3Å; E199-S203 WeakPolarHBondContact O-CB 3.24Å; E199-S203 PolarHBondContact O-N 3.46Å; E199-S203 PolarHBondContact O-OG 2.81Å; K200-S203 WeakPolarHBondContact CA-OG 3.43Å; K200-S203 PolarHBondContact O-N 2.81Å; K200-S203 PolarHBondContact O-OG 3.43Å
204L97.7Very high98Very high26 Ų2656.5 Ų56.514%0.13628%0.282CS..Hα-helixtrans-86.8-10.7-179.1-66171.9000113.1F86 W100 Q101 K200 T202 L206F86-L204 HydrophobicContact CE1-CD1 4.08Å; W100-L204 HydrophobicContact CH2-CD1 4.05Å; W100-L204 HydrophobicContact CH2-CD2 4.08Å; W100-L204 HydrophobicContact CZ2-CD2 4.15Å; Q101-L204 HydrophobicContact CG-CD2 4.16Å; K200-L204 HydrophobicContact CG-CD1 3.71Å; K200-L204 HydrophobicContact CG-CG 4.37Å; K200-L204 WeakPolarHBondContact O-CB 3.49Å; K200-L204 WeakPolarHBondContact O-CG 3.3Å; K200-L204 PolarHBondContact O-N 3.1Å; T202-L204 VanDerWaalsContact C-N 3.25Å; T202-L204 PolarHBondContact O-N 2.82Å; L204-L206 VanDerWaalsContact C-N 3.27Å; L204-L206 HydrophobicContact CB-CD1 4.06Å; L204-L206 HydrophobicContact CB-CD2 4.08Å; L204-L206 HydrophobicContact CB-CG 3.65Å; L204-L206 HydrophobicContact CD1-CD1 4.05Å; L204-L206 PolarHBondContact O-N 3.3Å
205G97.1Very high97.8Very high39 Ų3961.2 Ų61.240%0.40230%0.303SS..THydrogen-bonded Turntrans61.729.8178.500000114.8L201 T202L201-G205 PolarHBondContact O-N 3.34Å; T202-G205 PolarHBondContact O-N 2.96Å; T202-G205 VanDerWaalsContact O-N 3.13Å
206L98.3Very high97.6Very high0 Ų060 Ų600%030%0.302CS..  trans-81.1-23.7-173.2-55.2-177.2000113.3F85 W100 Q101 L104 I105 I106 L201 L204F85-L206 HydrophobicContact CE1-CD1 4.3Å; F85-L206 HydrophobicContact CZ-CD1 4.19Å; W100-L206 HydrophobicContact CZ3-CD1 4.19Å; W100-L206 HydrophobicContact CZ3-CD2 4.02Å; Q101-L206 HydrophobicContact CB-CD2 4.25Å; L104-L206 HydrophobicContact CB-CD2 4.45Å; I105-L206 CarbonylContact C-O 3.6Å; I105-L206 WeakPolarHBondContact CA-O 3.44Å; I106-L206 HydrophobicContact CD1-CB 4.05Å; I106-L206 HydrophobicContact CD1-CD1 4.3Å; I106-L206 HydrophobicContact CG1-CB 4.36Å; I106-L206 PolarHBondContact N-O 3.02Å; L201-L206 HydrophobicContact CD2-CD1 4.41Å; L204-L206 VanDerWaalsContact C-N 3.27Å; L204-L206 HydrophobicContact CB-CD1 4.06Å; L204-L206 HydrophobicContact CB-CD2 4.08Å; L204-L206 HydrophobicContact CB-CG 3.65Å; L204-L206 HydrophobicContact CD1-CD1 4.05Å; L204-L206 PolarHBondContact O-N 3.3Å
207V98.7Very high97.4Very high28 Ų2853.9 Ų53.917%0.1728%0.278CS..EExtended strand (participates in β ladder)trans-90.9130.8-171.2-175.10000111I106 E108 I155 I159 L201I106-V207 HydrophobicContact CB-CG2 4.49Å; I106-V207 WeakPolarHBondContact O-CA 3.42Å; E108-V207 HydrophobicContact CB-CG1 3.72Å; I155-V207 HydrophobicContact CG2-CB 4.3Å; I155-V207 HydrophobicContact CG2-CG1 3.68Å; I155-V207 HydrophobicContact CG2-CG2 3.58Å; I159-V207 HydrophobicContact CD1-CB 3.74Å; I159-V207 HydrophobicContact CD1-CG1 3.59Å; I159-V207 HydrophobicContact CD1-CG2 4.07Å; L201-V207 HydrophobicContact CB-CG2 4.19Å; L201-V207 HydrophobicContact CD2-CG2 4.34Å
208R97.9Very high97.2Very high87 Ų8752 Ų5233%0.32827%0.271SS..EExtended strand (participates in β ladder)trans-145.8162.6178.5-56.1-175.7-174.1169.45.1112.2I105 I106 E108 T210I105-R208 HydrophobicContact CG2-CB 3.85Å; I105-R208 HydrophobicContact CG2-CG 4.03Å; I106-R208 PolarHBondContact O-N 2.99Å; E108-R208 PolarHBondContact N-O 3.36Å; E108-R208 VanDerWaalsContact N-O 3.17Å; R208-T210 PolarHBondContact O-N 2.84Å
209N98.1Very high96.8Very high63 Ų6353.5 Ų53.534%0.33728%0.281SS..  trans-69.294.6161.6-177.3-25.3000109.7E108 V211 R212 Y213E108-N209 PolarHBondContact OE2-N 3.38Å; N209-V211 VanDerWaalsContact C-N 3.31Å; N209-V211 PolarHBondContact O-N 3.15Å; N209-V211 PolarHBondContact OD1-N 2.92Å; N209-R212 HydrophobicContact CB-CB 4.27Å; N209-R212 PolarHBondContact O-N 3.04Å; N209-R212 PolarHBondContact OD1-N 3.05Å; N209-Y213 WeakPolarHBondContact O-CB 3.47Å; N209-Y213 PolarHBondContact O-N 3.06Å
210T98.3Very high96.3Very high1 Ų149 Ų491%0.00627%0.265CS..Hα-helixtrans-68.3-27.4-176.3500000113.7L73 I105 S107 R208 Y213 L214L73-T210 HydrophobicContact CD1-CG2 3.92Å; L73-T210 HydrophobicContact CD2-CG2 4.07Å; L73-T210 HydrophobicContact CG-CG2 3.92Å; I105-T210 HydrophobicContact CG2-CG2 3.87Å; S107-T210 VanDerWaalsContact CA-CG2 3.47Å; S107-T210 VanDerWaalsContact CB-OG1 3.28Å; S107-T210 WeakPolarHBondContact CB-OG1 3.39Å; S107-T210 PolarHBondContact OG-OG1 2.79Å; R208-T210 PolarHBondContact O-N 2.84Å; T210-Y213 PolarHBondContact O-N 3.1Å; T210-L214 WeakPolarHBondContact O-CB 3.41Å; T210-L214 WeakPolarHBondContact O-CG 3.5Å; T210-L214 PolarHBondContact O-N 2.82Å
211V96.7Very high95.8Very high51 Ų5151.7 Ų51.731%0.30929%0.291SS..Hα-helixtrans-67.3-48.4178.2178.90000109.8N209 H215N209-V211 VanDerWaalsContact C-N 3.31Å; N209-V211 PolarHBondContact O-N 3.15Å; N209-V211 PolarHBondContact OD1-N 2.92Å; V211-H215 WeakPolarHBondContact O-CB 3.22Å; V211-H215 PolarHBondContact O-N 3.49Å
212R97.4Very high95.3Very high144 Ų14456.7 Ų56.754%0.54332%0.322SS..Hα-helixtrans-58.4-50.4172.8168.65768.8-159.36.5110.6N209 L214 H215 D216N209-R212 HydrophobicContact CB-CB 4.27Å; N209-R212 PolarHBondContact O-N 3.04Å; N209-R212 PolarHBondContact OD1-N 3.05Å; R212-L214 PolarHBondContact O-N 3.06Å; R212-H215 PolarHBondContact O-N 2.64Å; R212-D216 VanDerWaalsContact CD-CG 3.41Å; R212-D216 VanDerWaalsContact CD-OD1 3.24Å; R212-D216 WeakPolarHBondContact CD-OD1 3.22Å; R212-D216 WeakPolarHBondContact CD-OD2 3.41Å; R212-D216 IonicContact CZ-OD1 3.62Å; R212-D216 IonicContact NH1-OD1 3.44Å; R212-D216 PolarHBondContact NH1-OD1 2.92Å; R212-D216 WeakPolarHBondContact O-CB 3.03Å; R212-D216 VanDerWaalsContact O-CG 3.23Å; R212-D216 PolarHBondContact O-N 2.92Å
213Y97.6Very high95.1Very high62 Ų6254 Ų5424%0.24331%0.306CS..Hα-helixtrans-56.1-49-178.7-176.8-92000112.7I35 V71 L73 I105 N209 T210 A217I35-Y213 HydrophobicContact CD1-CE1 3.81Å; I35-Y213 HydrophobicContact CG1-CE1 4.49Å; V71-Y213 HydrophobicContact CG1-CE1 4.23Å; L73-Y213 HydrophobicContact CD1-CD1 3.69Å; L73-Y213 HydrophobicContact CD1-CE1 4.16Å; I105-Y213 HydrophobicContact CD1-CD1 3.99Å; I105-Y213 HydrophobicContact CD1-CD2 3.96Å; I105-Y213 HydrophobicContact CD1-CE1 3.57Å; I105-Y213 HydrophobicContact CD1-CE2 3.54Å; I105-Y213 HydrophobicContact CD1-CG 4.17Å; N209-Y213 WeakPolarHBondContact O-CB 3.47Å; N209-Y213 PolarHBondContact O-N 3.06Å; T210-Y213 PolarHBondContact O-N 3.1Å; Y213-A217 WeakPolarHBondContact O-CB 3.33Å; Y213-A217 PolarHBondContact O-N 2.83Å
214L97Very high94.9Very high2 Ų253.3 Ų53.31%0.0129%0.292CS..Hα-helixtrans-65.8-42.9178.5-75.2172000111.7I35 L73 T210 R212 D216 A217 L218 V226 L260 I262I35-L214 HydrophobicContact CD1-CD2 4.34Å; I35-L214 HydrophobicContact CG2-CD2 4.36Å; L73-L214 HydrophobicContact CD1-CD1 4.32Å; L73-L214 HydrophobicContact CD1-CD2 3.96Å; L73-L214 HydrophobicContact CD1-CG 3.89Å; L73-L214 HydrophobicContact CD2-CD1 4.19Å; T210-L214 WeakPolarHBondContact O-CB 3.41Å; T210-L214 WeakPolarHBondContact O-CG 3.5Å; T210-L214 PolarHBondContact O-N 2.82Å; R212-L214 PolarHBondContact O-N 3.06Å; L214-D216 VanDerWaalsContact C-N 3.33Å; L214-D216 PolarHBondContact O-N 2.8Å; L214-A217 PolarHBondContact O-N 3.31Å; L214-L218 WeakPolarHBondContact O-CB 3.3Å; L214-L218 WeakPolarHBondContact O-CG 3.49Å; L214-L218 PolarHBondContact O-N 2.8Å; L214-V226 HydrophobicContact CD2-CG1 4.38Å; L214-V226 HydrophobicContact CD2-CG2 4.31Å; L214-L260 HydrophobicContact CD1-CB 3.88Å; L214-L260 HydrophobicContact CD1-CD2 4.21Å; L214-L260 HydrophobicContact CD1-CG 4.47Å; L214-I262 HydrophobicContact CD1-CG2 4.1Å
215H94.8Very high94.8Very high99 Ų9956 Ų5646%0.45831%0.306SS..Hα-helixtrans-63.6-40.3-179.9-172.6-91.4000112.3V211 R212 L218 S219V211-H215 WeakPolarHBondContact O-CB 3.22Å; V211-H215 PolarHBondContact O-N 3.49Å; R212-H215 PolarHBondContact O-N 2.64Å; H215-L218 PolarHBondContact O-N 2.64Å; H215-S219 PolarHBondContact CE1-OG 3.48Å; H215-S219 WeakPolarHBondContact O-CB 3.24Å; H215-S219 PolarHBondContact O-N 3.28Å; H215-S219 PolarHBondContact O-OG 2.83Å
216D95.1Very high94.9Very high81 Ų8154.3 Ų54.343%0.43329%0.288SS..Hα-helixtrans-67.6-41.3176.4-64.3-7.6000110.9R212 L214 L218 S219 G220R212-D216 VanDerWaalsContact CD-CG 3.41Å; R212-D216 VanDerWaalsContact CD-OD1 3.24Å; R212-D216 WeakPolarHBondContact CD-OD1 3.22Å; R212-D216 WeakPolarHBondContact CD-OD2 3.41Å; R212-D216 IonicContact CZ-OD1 3.62Å; R212-D216 IonicContact NH1-OD1 3.44Å; R212-D216 PolarHBondContact NH1-OD1 2.92Å; R212-D216 WeakPolarHBondContact O-CB 3.03Å; R212-D216 VanDerWaalsContact O-CG 3.23Å; R212-D216 PolarHBondContact O-N 2.92Å; L214-D216 VanDerWaalsContact C-N 3.33Å; L214-D216 PolarHBondContact O-N 2.8Å; D216-L218 PolarHBondContact O-N 2.81Å; D216-S219 PolarHBondContact O-N 2.89Å; D216-G220 WeakPolarHBondContact O-CA 3.48Å; D216-G220 PolarHBondContact O-N 3.41Å
217A94.9Very high94.8Very high16 Ų1654.5 Ų54.513%0.13229%0.289CS..Hα-helixtrans-62.5-40175.100000112.5I35 Y213 L214 K224I35-A217 HydrophobicContact CD1-CB 3.63Å; Y213-A217 WeakPolarHBondContact O-CB 3.33Å; Y213-A217 PolarHBondContact O-N 2.83Å; L214-A217 PolarHBondContact O-N 3.31Å; A217-K224 HydrophobicContact CB-CB 4.11Å; A217-K224 HydrophobicContact CB-CG 4.07Å; A217-K224 WeakPolarHBondContact O-CB 3.48Å; A217-K224 PolarHBondContact O-N 2.8Å
218L94.1Very high94.8Very high4 Ų453.1 Ų53.12%0.02128%0.281CS..Hα-helixtrans-79.9-18.8-179.6-67.5171.3000113.8T8 V9 L214 H215 D216 V226 I262 R266T8-L218 WeakPolarHBondContact OG1-CD2 3.22Å; V9-L218 HydrophobicContact CG2-CD1 4Å; V9-L218 HydrophobicContact CG2-CD2 3.63Å; V9-L218 HydrophobicContact CG2-CG 4.49Å; L214-L218 WeakPolarHBondContact O-CB 3.3Å; L214-L218 WeakPolarHBondContact O-CG 3.49Å; L214-L218 PolarHBondContact O-N 2.8Å; H215-L218 PolarHBondContact O-N 2.64Å; D216-L218 PolarHBondContact O-N 2.81Å; L218-V226 HydrophobicContact CD2-CB 4.46Å; L218-V226 HydrophobicContact CD2-CG2 3.65Å; L218-V226 HydrophobicContact CG-CG2 4.29Å; L218-I262 HydrophobicContact CD1-CG2 4.2Å; L218-R266 HydrophobicContact CD1-CG 4.41Å; L218-R266 PolarHBondContact O-NH1 2.65Å
219S90.8Very high94.7Very high41 Ų4149 Ų4929%0.28727%0.265SS..Hα-helixtrans-117.2-2.5-174-48.60000114H215 D216 R266H215-S219 PolarHBondContact CE1-OG 3.48Å; H215-S219 WeakPolarHBondContact O-CB 3.24Å; H215-S219 PolarHBondContact O-N 3.28Å; H215-S219 PolarHBondContact O-OG 2.83Å; D216-S219 PolarHBondContact O-N 2.89Å; S219-R266 PolarHBondContact OG-NH2 2.99Å
220G87.4Confident94.5Very high19 Ų1946 Ų4620%0.19625%0.249CC..SBendtrans-61.1169.5177.100000113D216 T222 P223D216-G220 WeakPolarHBondContact O-CA 3.48Å; D216-G220 PolarHBondContact O-N 3.41Å; G220-T222 PolarHBondContact O-N 3.33Å; G220-T222 VanDerWaalsContact O-N 3.17Å; G220-P223 WeakPolarHBondContact O-CD 3.48Å
221P87.1Confident94.2Very high139 Ų13946 Ų4690%0.90325%0.249SC*.SBendtrans-59.3-28.8179.224.7-34.4000112.6
222T88.1Confident93.9Very high107 Ų10744.7 Ų44.766%0.65624%0.24SC*.SBendtrans-117.593.2167-50.90000108.1G220 K224G220-T222 PolarHBondContact O-N 3.33Å; G220-T222 VanDerWaalsContact O-N 3.17Å; T222-K224 PolarHBondContact O-N 3.28Å
223P91.5Very high93.7Very high32 Ų3237.9 Ų37.921%0.20822%0.215CC..PPolyproline II helixtrans-55.7132.8178-27.436.4000111.4M1 T8 G220M1-P223 HydrophobicContact CE-CG 4.43Å; T8-P223 HydrophobicContact CG2-CB 4.05Å; G220-P223 WeakPolarHBondContact O-CD 3.48Å
224K95.2Very high93.7Very high79 Ų7934.9 Ų34.934%0.34320%0.203SC..PPolyproline II helixtrans-84.8146.7178.9-62.5-46.6-149.71540111.8T8 D34 A217 T222T8-K224 VanDerWaalsContact CB-O 3.29Å; T8-K224 WeakPolarHBondContact CB-O 3.4Å; T8-K224 PolarHBondContact OG1-O 2.94Å; D34-K224 HydrophobicContact CB-CB 3.9Å; D34-K224 HydrophobicContact CB-CD 4.13Å; D34-K224 HydrophobicContact CB-CG 4.28Å; D34-K224 IonicContact OD1-NZ 3.79Å; D34-K224 PolarHBondContact OD1-NZ 2.83Å; D34-K224 WeakPolarHBondContact OD2-CA 3.1Å; A217-K224 HydrophobicContact CB-CB 4.11Å; A217-K224 HydrophobicContact CB-CG 4.07Å; A217-K224 WeakPolarHBondContact O-CB 3.48Å; A217-K224 PolarHBondContact O-N 2.8Å; T222-K224 PolarHBondContact O-N 3.28Å
225N95.4Very high93.6Very high81 Ų8135 Ų3543%0.43320%0.203SC..PPolyproline II helixtrans-83.8123.6172.6-67.5-31.9000109.8T8 D34 I35T8-N225 WeakPolarHBondContact O-CA 3.37Å; D34-N225 PolarHBondContact N-O 3.16Å; D34-N225 PolarHBondContact OD2-N 2.87Å; I35-N225 PolarHBondContact N-O 2.89Å
226V97.9Very high93.6Very high4 Ų431.4 Ų31.42%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-111.9124.7179-178.20000108.7T8 V9 S10 I35 A37 L214 L218 V228T8-V226 PolarHBondContact O-N 2.77Å; V9-V226 CarbonylContact C-O 3.55Å; V9-V226 WeakPolarHBondContact CA-O 3.5Å; V9-V226 HydrophobicContact CG1-CB 4.43Å; V9-V226 HydrophobicContact CG1-CG1 4.49Å; V9-V226 HydrophobicContact CG2-CB 4.19Å; S10-V226 PolarHBondContact N-O 2.86Å; I35-V226 HydrophobicContact CB-CG1 4.45Å; I35-V226 HydrophobicContact CB-CG2 4.2Å; I35-V226 HydrophobicContact CD1-CG2 4.16Å; I35-V226 HydrophobicContact CG2-CG1 4.46Å; I35-V226 CarbonylContact O-C 3.57Å; I35-V226 WeakPolarHBondContact O-CA 3.5Å; A37-V226 HydrophobicContact CB-CG1 4.4Å; L214-V226 HydrophobicContact CD2-CG1 4.38Å; L214-V226 HydrophobicContact CD2-CG2 4.31Å; L218-V226 HydrophobicContact CD2-CB 4.46Å; L218-V226 HydrophobicContact CD2-CG2 3.65Å; L218-V226 HydrophobicContact CG-CG2 4.29Å; V226-V228 HydrophobicContact CG1-CG2 4.39Å
227L98Very high93.7Very high4 Ų427.6 Ų27.62%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-102124.6169-178.868.5000108.8S10 V12 V26 L29 A30 A33 I35 V36 A37S10-L227 CarbonylContact O-C 3.54Å; S10-L227 WeakPolarHBondContact O-CA 3.22Å; V12-L227 HydrophobicContact CG2-CD1 3.69Å; V26-L227 HydrophobicContact CG1-CD2 4.18Å; L29-L227 HydrophobicContact CB-CD1 4.02Å; L29-L227 HydrophobicContact CB-CD2 3.62Å; L29-L227 HydrophobicContact CB-CG 4.48Å; L29-L227 HydrophobicContact CD1-CD1 4.06Å; A30-L227 HydrophobicContact CB-CD2 4.14Å; A33-L227 HydrophobicContact CB-CB 3.81Å; I35-L227 PolarHBondContact O-N 3.36Å; V36-L227 CarbonylContact C-O 3.54Å; V36-L227 VanDerWaalsContact CA-O 3.24Å; V36-L227 WeakPolarHBondContact CA-O 3.35Å; V36-L227 HydrophobicContact CG2-CB 4.12Å; V36-L227 HydrophobicContact CG2-CD2 4.18Å; A37-L227 PolarHBondContact N-O 2.84Å
228V98Very high93.7Very high0 Ų029.4 Ų29.40%017%0.174CC..EExtended strand (participates in β ladder)trans-96.2121.9174.9-174.50000109.6V9 S10 I11 V12 A37 C39 V226 V256 L260V9-V228 HydrophobicContact CG1-CG2 3.79Å; S10-V228 PolarHBondContact O-N 3.18Å; I11-V228 HydrophobicContact CB-CB 4.49Å; I11-V228 HydrophobicContact CG1-CB 4.21Å; I11-V228 HydrophobicContact CG1-CG2 4.19Å; I11-V228 HydrophobicContact CG2-CB 4.45Å; V12-V228 PolarHBondContact N-O 3.4Å; A37-V228 CarbonylContact O-C 3.58Å; A37-V228 WeakPolarHBondContact O-CA 3.39Å; C39-V228 HydrophobicContact CB-CG1 4.2Å; C39-V228 WeakPolarHBondContact SG-CG1 3.47Å; V226-V228 HydrophobicContact CG1-CG2 4.39Å; V228-V256 HydrophobicContact CB-CG1 4.16Å; V228-V256 HydrophobicContact CG1-CB 4.5Å; V228-V256 HydrophobicContact CG1-CG1 3.7Å; V228-V256 HydrophobicContact CG1-CG2 4.13Å; V228-V256 HydrophobicContact CG2-CG1 3.96Å; V228-L260 HydrophobicContact CB-CD1 4.48Å; V228-L260 HydrophobicContact CG1-CD1 4.02Å; V228-L260 HydrophobicContact CG2-CD1 3.62Å
229E95.8Very high93.8Very high0 Ų034.5 Ų34.50%020%0.201CC..EExtended strand (participates in β ladder)trans-95.499.5175.3-177.9-170.315700109V26 V36 A37 R38 H47 P62 S63V26-E229 HydrophobicContact CG1-CB 4.31Å; V26-E229 HydrophobicContact CG1-CG 4.05Å; V26-E229 HydrophobicContact CG2-CG 4.26Å; V36-E229 HydrophobicContact CG1-CB 4.12Å; A37-E229 PolarHBondContact O-N 2.92Å; R38-E229 HydrophobicContact CG-CB 4.24Å; R38-E229 HydrophobicContact CG-CG 4.43Å; R38-E229 IonicContact CZ-OE1 2.75Å; R38-E229 IonicContact NE-OE1 2.6Å; R38-E229 PolarHBondContact NE-OE1 2.99Å; R38-E229 IonicContact NE-OE2 2.72Å; R38-E229 IonicContact NH2-OE1 2.63Å; R38-E229 PolarHBondContact NH2-OE1 2.83Å; H47-E229 IonicContact CE1-OE1 3.15Å; H47-E229 PolarHBondContact CE1-OE1 2.95Å; H47-E229 IonicContact CG-OE1 2.66Å; H47-E229 IonicContact ND1-OE1 2.79Å; H47-E229 PolarHBondContact ND1-OE1 3.44Å; P62-E229 VanDerWaalsContact CA-OE2 3.26Å; P62-E229 WeakPolarHBondContact CA-OE2 3.36Å; S63-E229 PolarHBondContact N-OE2 2.97Å
230G94Very high94Very high0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-70.8137.7176.900000112.9V12 K22 H47V12-G230 WeakPolarHBondContact O-CA 3.44Å; V12-G230 PolarHBondContact O-N 3.2Å; K22-G230 WeakPolarHBondContact CE-O 3.44Å; H47-G230 PolarHBondContact CE1-O 3.3Å; H47-G230 VanDerWaalsContact CE1-O 3.28Å
231A90.6Very high94.3Very high1 Ų136.1 Ų36.11%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-87142.9168.900000110.9Q40 A45 C251Q40-A231 HydrophobicContact CG-CB 4.4Å; Q40-A231 PolarHBondContact NE2-O 3.29Å; Q40-A231 WeakPolarHBondContact O-CB 3.02Å; A45-A231 HydrophobicContact CB-CB 4.16Å; A231-C251 PolarHBondContact O-SG 2.96Å
232N90.8Very high94.5Very high24 Ų2430 Ų3013%0.12816%0.163CC..EExtended strand (participates in β ladder)trans59.2-160-176.4-63.385.5000112.7K22 N44 L236 T247K22-N232 WeakPolarHBondContact CE-O 3.44Å; K22-N232 PolarHBondContact NZ-O 3.41Å; N44-N232 PolarHBondContact ND2-OD1 3.45Å; N232-L236 HydrophobicContact CB-CB 4.49Å; N232-L236 HydrophobicContact CB-CD1 4.24Å; N232-T247 HydrophobicContact CB-CG2 4.43Å
233G93.9Very high94.8Very high0 Ų032.2 Ų32.20%016%0.16CC..EExtended strand (participates in β ladder)trans-130.2160.6-179.400000110.8G14 Q16 L235 L236 C251G14-G233 CarbonylContact O-C 3.48Å; G14-G233 VanDerWaalsContact O-CA 3.22Å; G14-G233 WeakPolarHBondContact O-CA 3.14Å; Q16-G233 CarbonylContact O-C 3.27Å; Q16-G233 VanDerWaalsContact O-C 3.27Å; Q16-G233 WeakPolarHBondContact O-CA 3.09Å; G233-L235 PolarHBondContact O-N 3.2Å; G233-L236 WeakPolarHBondContact O-CB 3.41Å; G233-L236 PolarHBondContact O-N 3.46Å; G233-C251 VanDerWaalsContact O-CB 3.28Å; G233-C251 WeakPolarHBondContact O-CB 3.28Å
234T96.7Very high94.8Very high0 Ų032.8 Ų32.80%016%0.164CC..G310 helixtrans-57.6-33.7-174.6-62.50000112.8G14 Q16 L236 D237 C251 V345 N346G14-T234 PolarHBondContact O-N 3.23Å; G14-T234 PolarHBondContact O-OG1 2.83Å; Q16-T234 PolarHBondContact O-N 3.34Å; T234-L236 PolarHBondContact O-N 3.44Å; T234-D237 WeakPolarHBondContact O-CB 3.39Å; T234-D237 PolarHBondContact O-N 2.85Å; T234-C251 PolarHBondContact OG1-O 3.46Å; T234-V345 HydrophobicContact CG2-CG1 4.35Å; T234-N346 WeakPolarHBondContact CG2-ND2 3.31Å; T234-N346 PolarHBondContact OG1-ND2 3.17Å
235L96Very high94.6Very high4 Ų431.4 Ų31.42%0.02116%0.157CC..G310 helixtrans-75.1-4.8178.8-54.5178.7000113.4Q16 W17 G233 G241 T242 L338 Y341 S342Q16-L235 HydrophobicContact CB-CD1 4.28Å; Q16-L235 VanDerWaalsContact O-CB 3.29Å; Q16-L235 WeakPolarHBondContact O-CB 3.26Å; Q16-L235 PolarHBondContact O-N 3.31Å; W17-L235 HydrophobicContact CD2-CB 3.86Å; W17-L235 HydrophobicContact CD2-CD1 4.12Å; W17-L235 HydrophobicContact CE3-CB 3.63Å; W17-L235 HydrophobicContact CH2-CB 3.75Å; W17-L235 HydrophobicContact CH2-CD1 4.25Å; W17-L235 HydrophobicContact CZ2-CB 4.02Å; W17-L235 HydrophobicContact CZ2-CD1 3.69Å; W17-L235 HydrophobicContact CZ2-CG 4.49Å; W17-L235 HydrophobicContact CZ3-CB 3.57Å; W17-L235 WeakPolarHBondContact CZ3-O 3.14Å; G233-L235 PolarHBondContact O-N 3.2Å; L235-G241 WeakPolarHBondContact O-CA 3.35Å; L235-T242 PolarHBondContact O-N 3.23Å; L235-L338 HydrophobicContact CD1-CB 3.93Å; L235-L338 HydrophobicContact CD1-CD1 3.98Å; L235-L338 HydrophobicContact CD1-CG 4.47Å; L235-L338 HydrophobicContact CD2-CB 4.28Å; L235-L338 HydrophobicContact CD2-CD2 4.43Å; L235-Y341 HydrophobicContact CD2-CD1 4.22Å; L235-S342 WeakPolarHBondContact CD2-OG 3.48Å
236L94.6Very high94.5Very high24 Ų2428.6 Ų28.613%0.12614%0.143CC..G310 helixtrans-102.64.3166.9-64.8-178.9000112.8W17 N232 G233 T234 V246 T247W17-L236 HydrophobicContact CE3-CD2 3.8Å; W17-L236 HydrophobicContact CE3-CG 4.2Å; W17-L236 HydrophobicContact CZ3-CD2 4.28Å; W17-L236 WeakPolarHBondContact O-CD1 3.27Å; N232-L236 HydrophobicContact CB-CB 4.49Å; N232-L236 HydrophobicContact CB-CD1 4.24Å; G233-L236 WeakPolarHBondContact O-CB 3.41Å; G233-L236 PolarHBondContact O-N 3.46Å; T234-L236 PolarHBondContact O-N 3.44Å; L236-V246 WeakPolarHBondContact O-CB 3.31Å; L236-T247 HydrophobicContact CB-CG2 4.38Å; L236-T247 WeakPolarHBondContact O-CG2 3.33Å; L236-T247 PolarHBondContact O-N 2.83Å
237D96.2Very high94.3Very high0 Ų029 Ų290%015%0.146CC..  trans-59140.4174.6-170.1-58.8000110.1T234 D239 F240 G241 V246 N250 C251 S252T234-D237 WeakPolarHBondContact O-CB 3.39Å; T234-D237 PolarHBondContact O-N 2.85Å; D237-D239 PolarHBondContact O-N 2.88Å; D237-D239 PolarHBondContact OD1-N 3.06Å; D237-F240 HydrophobicContact CB-CB 4.12Å; D237-F240 HydrophobicContact CB-CD2 4.25Å; D237-G241 VanDerWaalsContact O-CA 3.27Å; D237-G241 WeakPolarHBondContact O-CA 3.18Å; D237-G241 PolarHBondContact O-N 3.38Å; D237-V246 VanDerWaalsContact O-CG1 3.3Å; D237-V246 WeakPolarHBondContact O-CG1 3.24Å; D237-N250 PolarHBondContact OD1-ND2 2.87Å; D237-N250 VanDerWaalsContact OD1-ND2 3.11Å; D237-N250 VanDerWaalsContact OD2-C 3.27Å; D237-N250 WeakPolarHBondContact OD2-CA 3.13Å; D237-C251 HydrophobicContact CB-CB 4.19Å; D237-C251 PolarHBondContact OD2-N 3.3Å; D237-S252 WeakPolarHBondContact OD2-CB 3.38Å; D237-S252 PolarHBondContact OD2-N 2.91Å; D237-S252 VanDerWaalsContact OD2-N 3.17Å; D237-S252 PolarHBondContact OD2-OG 3.3Å
238I95.4Very high94.1Very high54 Ų5430.9 Ų30.928%0.27716%0.159SC..THydrogen-bonded Turntrans-58.6-31.9-179.2-165.1175.5000113.4V246 T247 S249 N250I238-V246 HydrophobicContact CG1-CG2 4.42Å; I238-T247 WeakPolarHBondContact CB-O 3.32Å; I238-S249 PolarHBondContact N-O 2.95Å; I238-N250 WeakPolarHBondContact CG2-ND2 3.43Å
239D95.9Very high94Very high111 Ų11131 Ų3159%0.59416%0.16SC*.THydrogen-bonded Turntrans-100.7-31.2-175.7-64.4-50.9000112.8D237 N250D237-D239 PolarHBondContact O-N 2.88Å; D237-D239 PolarHBondContact OD1-N 3.06Å; D239-N250 PolarHBondContact OD2-ND2 3.21Å
240F95.8Very high94Very high76 Ų7633.4 Ų33.433%0.33317%0.173SC..THydrogen-bonded Turntrans-111.6-7.9-172.7-50.2-56.5000114D237 Y341 V345D237-F240 HydrophobicContact CB-CB 4.12Å; D237-F240 HydrophobicContact CB-CD2 4.25Å; F240-Y341 HydrophobicContact CB-CE1 4.19Å; F240-Y341 VanDerWaalsContact O-CE1 3.27Å; F240-Y341 WeakPolarHBondContact O-CE1 3.11Å; F240-Y341 PolarHBondContact O-OH 3.41Å; F240-V345 HydrophobicContact CB-CG2 4.4Å; F240-V345 HydrophobicContact CD1-CG2 4.31Å; F240-V345 HydrophobicContact CD2-CG1 3.58Å; F240-V345 HydrophobicContact CE2-CG1 3.82Å; F240-V345 HydrophobicContact CG-CG1 3.99Å; F240-V345 HydrophobicContact CG-CG2 4.18Å; F240-V345 HydrophobicContact CZ-CG1 4.42Å
241G93.9Very high94.1Very high18 Ų1833.5 Ų33.519%0.18617%0.173CC..SBendtrans-85.3-172.9176.500000113.5L235 D237 Y243L235-G241 WeakPolarHBondContact O-CA 3.35Å; D237-G241 VanDerWaalsContact O-CA 3.27Å; D237-G241 WeakPolarHBondContact O-CA 3.18Å; D237-G241 PolarHBondContact O-N 3.38Å; G241-Y243 PolarHBondContact O-N 2.91Å
242T91.5Very high94.4Very high10 Ų1033.6 Ų33.66%0.06117%0.174CC..SBendtrans-8276.7177.8-50.10000112W17 L235 Y245 P285 A385 F388W17-T242 WeakPolarHBondContact CH2-OG1 3.46Å; L235-T242 PolarHBondContact O-N 3.23Å; T242-Y245 HydrophobicContact CG2-CD2 4.36Å; T242-Y245 WeakPolarHBondContact O-CA 3.13Å; T242-Y245 WeakPolarHBondContact O-CB 3.37Å; T242-Y245 PolarHBondContact O-N 3.1Å; T242-P285 HydrophobicContact CG2-CB 4.5Å; T242-P285 HydrophobicContact CG2-CG 3.96Å; T242-A385 HydrophobicContact CG2-CB 4.14Å; T242-F388 HydrophobicContact CG2-CD1 3.74Å; T242-F388 HydrophobicContact CG2-CE1 4.26Å; T242-F388 WeakPolarHBondContact OG1-CE1 3.16Å
243Y92.9Very high94.8Very high154 Ų15433.4 Ų33.460%0.60417%0.174SC*.THydrogen-bonded Turntrans-57.7136-179.5-173.8-87.5000112.2G241 V246G241-Y243 PolarHBondContact O-N 2.91Å; Y243-V246 HydrophobicContact CD2-CG2 3.97Å
244P91.8Very high94.9Very high44 Ų4435.4 Ų35.429%0.28619%0.194SC..THydrogen-bonded Turncis-90.185.336.8-37000115.5I133 V246I133-P244 HydrophobicContact CD1-CB 3.76Å; I133-P244 HydrophobicContact CD1-CG 3.66Å; P244-V246 PolarHBondContact O-N 3.02Å
245Y92.1Very high95Very high51 Ų5135.6 Ų35.620%0.220%0.196CC..SBendtrans-81.852.8-176.6-50-80.4000112.9V131 T242 D283 A385V131-Y245 HydrophobicContact CG1-CE1 4.02Å; V131-Y245 WeakPolarHBondContact CG1-OH 3.41Å; T242-Y245 HydrophobicContact CG2-CD2 4.36Å; T242-Y245 WeakPolarHBondContact O-CA 3.13Å; T242-Y245 WeakPolarHBondContact O-CB 3.37Å; T242-Y245 PolarHBondContact O-N 3.1Å; Y245-D283 HydrophobicContact CD1-CB 4.05Å; Y245-D283 HydrophobicContact CE1-CB 4Å; Y245-A385 HydrophobicContact CD2-CB 4.41Å; Y245-A385 HydrophobicContact CE2-CB 4Å
246V93.3Very high95.1Very high21 Ų2135.4 Ų35.413%0.12720%0.195CC..SBendtrans-133164.3-171-66.60000110.3L236 D237 I238 Y243 P244L236-V246 WeakPolarHBondContact O-CB 3.31Å; D237-V246 VanDerWaalsContact O-CG1 3.3Å; D237-V246 WeakPolarHBondContact O-CG1 3.24Å; I238-V246 HydrophobicContact CG1-CG2 4.42Å; Y243-V246 HydrophobicContact CD2-CG2 3.97Å; P244-V246 PolarHBondContact O-N 3.02Å
247T92.9Very high95.3Very high14 Ų1435.8 Ų35.89%0.08620%0.197CC..  trans-74.3161166.7-177.70000109.8N232 L236 I238 S249 C251N232-T247 HydrophobicContact CB-CG2 4.43Å; L236-T247 HydrophobicContact CB-CG2 4.38Å; L236-T247 WeakPolarHBondContact O-CG2 3.33Å; L236-T247 PolarHBondContact O-N 2.83Å; I238-T247 WeakPolarHBondContact CB-O 3.32Å; T247-S249 VanDerWaalsContact CG2-OG 3.26Å; T247-S249 WeakPolarHBondContact CG2-OG 3.46Å; T247-S249 PolarHBondContact O-N 2.91Å; T247-S249 VanDerWaalsContact O-N 3.13Å; T247-S249 PolarHBondContact OG1-OG 3.26Å; T247-C251 WeakPolarHBondContact CG2-SG 3.44Å
248S94.3Very high95.3Very high42 Ų4240.6 Ų40.629%0.29423%0.226SC..SBendtrans-83.926.6178.5-51.90000113.3G141 Y144G141-S248 WeakPolarHBondContact CA-OG 3.38Å; Y144-S248 WeakPolarHBondContact CB-O 3.29Å; Y144-S248 WeakPolarHBondContact CD1-O 3.28Å
249S94.9Very high95.4Very high4 Ų438.1 Ų38.13%0.02821%0.214CC..SBendtrans-139.2159.1-175.962.20000111.3I238 T247I238-S249 PolarHBondContact N-O 2.95Å; T247-S249 VanDerWaalsContact CG2-OG 3.26Å; T247-S249 WeakPolarHBondContact CG2-OG 3.46Å; T247-S249 PolarHBondContact O-N 2.91Å; T247-S249 VanDerWaalsContact O-N 3.13Å; T247-S249 PolarHBondContact OG1-OG 3.26Å
250N96.6Very high95.5Very high50 Ų5032.8 Ų32.827%0.26719%0.186SC..  trans-84.5116.9174.5-60.498.6000111.1Q40 D237 I238 D239Q40-N250 VanDerWaalsContact CG-O 3.32Å; Q40-N250 WeakPolarHBondContact CG-O 3.37Å; D237-N250 PolarHBondContact OD1-ND2 2.87Å; D237-N250 VanDerWaalsContact OD1-ND2 3.11Å; D237-N250 VanDerWaalsContact OD2-C 3.27Å; D237-N250 WeakPolarHBondContact OD2-CA 3.13Å; I238-N250 WeakPolarHBondContact CG2-ND2 3.43Å; D239-N250 PolarHBondContact OD2-ND2 3.21Å
251C96.4Very high95.6Very high1 Ų131.2 Ų31.21%0.00719%0.191CC..  trans-103.131.4-179.1-640000112.1A231 G233 T234 D237 T247A231-C251 PolarHBondContact O-SG 2.96Å; G233-C251 VanDerWaalsContact O-CB 3.28Å; G233-C251 WeakPolarHBondContact O-CB 3.28Å; T234-C251 PolarHBondContact OG1-O 3.46Å; D237-C251 HydrophobicContact CB-CB 4.19Å; D237-C251 PolarHBondContact OD2-N 3.3Å; T247-C251 WeakPolarHBondContact CG2-SG 3.44Å
252S97.1Very high95.6Very high4 Ų431 Ų313%0.02819%0.185CC..SBendtrans-120.4172.5178.653.60000111.1D237 G254 G255 V256 N346D237-S252 WeakPolarHBondContact OD2-CB 3.38Å; D237-S252 PolarHBondContact OD2-N 2.91Å; D237-S252 VanDerWaalsContact OD2-N 3.17Å; D237-S252 PolarHBondContact OD2-OG 3.3Å; S252-G254 PolarHBondContact O-N 3.03Å; S252-G255 WeakPolarHBondContact O-CA 3.37Å; S252-G255 PolarHBondContact O-N 3.47Å; S252-V256 PolarHBondContact O-N 2.99Å; S252-V256 VanDerWaalsContact O-N 3.14Å; S252-N346 WeakPolarHBondContact CA-OD1 3.33Å; S252-N346 WeakPolarHBondContact CB-OD1 3.45Å
253V97.9Very high95.7Very high20 Ų2033 Ų3312%0.12120%0.2CC..Hα-helixtrans-54.5-37.3175173.70000111.6I11 L13 G255 V256 L257 I270 N346I11-V253 HydrophobicContact CD1-CG1 4.18Å; L13-V253 HydrophobicContact CD1-CG2 3.79Å; V253-G255 VanDerWaalsContact C-N 3.29Å; V253-G255 PolarHBondContact O-N 2.61Å; V253-V256 VanDerWaalsContact O-CB 3.31Å; V253-V256 WeakPolarHBondContact O-CB 3.49Å; V253-V256 PolarHBondContact O-N 2.92Å; V253-L257 HydrophobicContact CG1-CD1 4.45Å; V253-L257 HydrophobicContact CG1-CG 4.36Å; V253-L257 WeakPolarHBondContact O-CG 3.08Å; V253-L257 PolarHBondContact O-N 2.74Å; V253-I270 HydrophobicContact CG2-CD1 4.08Å; V253-I270 HydrophobicContact CG2-CG1 4.48Å; V253-I270 HydrophobicContact CG2-CG2 3.58Å; V253-N346 HydrophobicContact CG2-CB 3.97Å; V253-N346 PolarHBondContact N-OD1 3.16Å
254G97.6Very high95.7Very high41 Ų4129.8 Ų29.842%0.42320%0.197SC..Hα-helixtrans-58.8-39.6174.700000113.2S252 V256 L257 T258S252-G254 PolarHBondContact O-N 3.03Å; G254-V256 VanDerWaalsContact C-N 3.35Å; G254-L257 PolarHBondContact O-N 2.9Å; G254-T258 PolarHBondContact O-N 2.91Å; G254-T258 VanDerWaalsContact O-N 3.16Å; G254-T258 PolarHBondContact O-OG1 2.94Å
255G97.8Very high95.7Very high4 Ų434.5 Ų34.54%0.04122%0.216CC..Hα-helixtrans-64.4-37.2173.100000113S252 V253 T258 G259S252-G255 WeakPolarHBondContact O-CA 3.37Å; S252-G255 PolarHBondContact O-N 3.47Å; V253-G255 VanDerWaalsContact C-N 3.29Å; V253-G255 PolarHBondContact O-N 2.61Å; G255-T258 PolarHBondContact O-OG1 3.24Å; G255-G259 WeakPolarHBondContact O-CA 3.08Å; G255-G259 PolarHBondContact O-N 2.95Å
256V98.2Very high95.8Very high0 Ų033.9 Ų33.90%021%0.213CC..Hα-helixtrans-62-49.6174.8172.40000111.3I11 L13 V228 S252 V253 G254 G259 L260 I262I11-V256 HydrophobicContact CD1-CB 4.21Å; I11-V256 HydrophobicContact CD1-CG1 3.67Å; I11-V256 HydrophobicContact CD1-CG2 4.5Å; I11-V256 HydrophobicContact CG1-CG1 4.05Å; I11-V256 HydrophobicContact CG2-CG1 4.46Å; I11-V256 HydrophobicContact CG2-CG2 3.81Å; L13-V256 HydrophobicContact CD2-CG2 4.04Å; V228-V256 HydrophobicContact CB-CG1 4.16Å; V228-V256 HydrophobicContact CG1-CB 4.5Å; V228-V256 HydrophobicContact CG1-CG1 3.7Å; V228-V256 HydrophobicContact CG1-CG2 4.13Å; V228-V256 HydrophobicContact CG2-CG1 3.96Å; S252-V256 PolarHBondContact O-N 2.99Å; S252-V256 VanDerWaalsContact O-N 3.14Å; V253-V256 VanDerWaalsContact O-CB 3.31Å; V253-V256 WeakPolarHBondContact O-CB 3.49Å; V253-V256 PolarHBondContact O-N 2.92Å; G254-V256 VanDerWaalsContact C-N 3.35Å; V256-G259 PolarHBondContact O-N 3.12Å; V256-L260 HydrophobicContact CG1-CD1 4.21Å; V256-L260 PolarHBondContact O-N 3.42Å; V256-L260 VanDerWaalsContact O-N 3.15Å; V256-I262 HydrophobicContact CG1-CD1 4.09Å
257L98.1Very high95.9Very high33 Ų3333.7 Ų33.717%0.17321%0.212CC..Hα-helixtrans-61.3-49.1-177.1-60.2179.5000111.3V253 G254 G261 I262 P264 V267V253-L257 HydrophobicContact CG1-CD1 4.45Å; V253-L257 HydrophobicContact CG1-CG 4.36Å; V253-L257 WeakPolarHBondContact O-CG 3.08Å; V253-L257 PolarHBondContact O-N 2.74Å; G254-L257 PolarHBondContact O-N 2.9Å; L257-G261 WeakPolarHBondContact O-CA 3.13Å; L257-G261 PolarHBondContact O-N 3.13Å; L257-I262 HydrophobicContact CD2-CD1 4.06Å; L257-I262 HydrophobicContact CD2-CG1 3.77Å; L257-I262 PolarHBondContact O-N 3.44Å; L257-P264 HydrophobicContact CD1-CB 3.86Å; L257-P264 HydrophobicContact CD1-CG 4.45Å; L257-P264 HydrophobicContact CD2-CB 4.46Å; L257-V267 HydrophobicContact CD2-CG2 4.03Å
258T97.3Very high95.9Very high100 Ų10034.6 Ų34.661%0.61322%0.219SC*.Hα-helixtrans-73.3-29.9-179.656.70000113N76 G254 G255 L260N76-T258 PolarHBondContact ND2-O 3.07Å; G254-T258 PolarHBondContact O-N 2.91Å; G254-T258 VanDerWaalsContact O-N 3.16Å; G254-T258 PolarHBondContact O-OG1 2.94Å; G255-T258 PolarHBondContact O-OG1 3.24Å; T258-L260 VanDerWaalsContact C-N 3.33Å
259G98Very high96Very high2 Ų234.5 Ų34.52%0.02122%0.215CC..Hα-helixtrans-74.8-18.4179.200000115C39 G75 N76 G77 G255 V256C39-G259 VanDerWaalsContact O-CA 3.29Å; C39-G259 WeakPolarHBondContact O-CA 3.5Å; G75-G259 CarbonylContact C-O 3.46Å; N76-G259 VanDerWaalsContact CG-O 3.27Å; N76-G259 PolarHBondContact N-O 2.83Å; N76-G259 PolarHBondContact OD1-O 3.5Å; G77-G259 PolarHBondContact N-O 3.43Å; G255-G259 WeakPolarHBondContact O-CA 3.08Å; G255-G259 PolarHBondContact O-N 2.95Å; V256-G259 PolarHBondContact O-N 3.12Å
260L98.3Very high96.1Very high0 Ų035.4 Ų35.40%022%0.219CC..Hα-helixtrans-119.4-17.5178-61.7175.8000114.2A37 C39 L73 L214 V228 V256 T258 I262A37-L260 HydrophobicContact CB-CD1 4.02Å; A37-L260 HydrophobicContact CB-CD2 3.94Å; C39-L260 HydrophobicContact CB-CD1 3.95Å; C39-L260 HydrophobicContact CB-CD2 3.87Å; C39-L260 HydrophobicContact CB-CG 3.55Å; L73-L260 HydrophobicContact CD2-CD2 3.96Å; L214-L260 HydrophobicContact CD1-CB 3.88Å; L214-L260 HydrophobicContact CD1-CD2 4.21Å; L214-L260 HydrophobicContact CD1-CG 4.47Å; V228-L260 HydrophobicContact CB-CD1 4.48Å; V228-L260 HydrophobicContact CG1-CD1 4.02Å; V228-L260 HydrophobicContact CG2-CD1 3.62Å; V256-L260 HydrophobicContact CG1-CD1 4.21Å; V256-L260 PolarHBondContact O-N 3.42Å; V256-L260 VanDerWaalsContact O-N 3.15Å; T258-L260 VanDerWaalsContact C-N 3.33Å; L260-I262 HydrophobicContact CB-CG1 4.24Å; L260-I262 HydrophobicContact CB-CG2 3.91Å; L260-I262 HydrophobicContact CD1-CD1 4.3Å
261G96.7Very high96.2Very high43 Ų4333.1 Ų33.144%0.44321%0.207SC..THydrogen-bonded Turntrans70.235.2-172.500000112.9L257L257-G261 WeakPolarHBondContact O-CA 3.13Å; L257-G261 PolarHBondContact O-N 3.13Å
262I94.7Very high96.3Very high14 Ų1433.1 Ų33.17%0.07221%0.207CC..  trans-97.5144.3178.660.7169.5000111.1V9 L214 L218 V256 L257 L260V9-I262 HydrophobicContact CG1-CD1 3.88Å; V9-I262 HydrophobicContact CG2-CD1 4.49Å; L214-I262 HydrophobicContact CD1-CG2 4.1Å; L218-I262 HydrophobicContact CD1-CG2 4.2Å; V256-I262 HydrophobicContact CG1-CD1 4.09Å; L257-I262 HydrophobicContact CD2-CD1 4.06Å; L257-I262 HydrophobicContact CD2-CG1 3.77Å; L257-I262 PolarHBondContact O-N 3.44Å; L260-I262 HydrophobicContact CB-CG1 4.24Å; L260-I262 HydrophobicContact CB-CG2 3.91Å; L260-I262 HydrophobicContact CD1-CD1 4.3Å
263S93.5Very high96.3Very high51 Ų5132.9 Ų32.936%0.35721%0.205SC..  trans-73.1138.5175.1170.80000110.6Q265 R266S263-Q265 PolarHBondContact O-N 3.46Å; S263-Q265 VanDerWaalsContact O-N 3.1Å; S263-Q265 PolarHBondContact OG-N 3.17Å; S263-R266 WeakPolarHBondContact O-CB 3.28Å; S263-R266 PolarHBondContact O-N 3.16Å
264P93.4Very high96.3Very high86 Ų8632 Ų3256%0.55820%0.2SC*.G310 helixtrans-56.8-26.617522.1-32.7000112.9L257 R266 V267L257-P264 HydrophobicContact CD1-CB 3.86Å; L257-P264 HydrophobicContact CD1-CG 4.45Å; L257-P264 HydrophobicContact CD2-CB 4.46Å; P264-R266 PolarHBondContact O-N 2.9Å; P264-R266 VanDerWaalsContact O-N 3.14Å; P264-V267 PolarHBondContact O-N 2.61Å
265Q91.8Very high96.3Very high144 Ų14430.1 Ų30.167%0.67318%0.18SC*.G310 helixtrans-67.2-12.5178.4-65.1180-18.300114.1S263S263-Q265 PolarHBondContact O-N 3.46Å; S263-Q265 VanDerWaalsContact O-N 3.1Å; S263-Q265 PolarHBondContact OG-N 3.17Å
266R93.2Very high96.3Very high38 Ų3829.9 Ų29.914%0.14318%0.178CC..G310 helixtrans-90-11.9179.1-60-60.3-171.8146.17.8113.5M6 R7 T8 V9 L218 S219 S263 P264M6-R266 WeakPolarHBondContact O-CD 3.34Å; R7-R266 WeakPolarHBondContact CA-O 3.33Å; T8-R266 PolarHBondContact N-O 2.97Å; V9-R266 WeakPolarHBondContact CB-O 3.3Å; V9-R266 HydrophobicContact CG2-CB 3.93Å; V9-R266 PolarHBondContact N-O 2.97Å; L218-R266 HydrophobicContact CD1-CG 4.41Å; L218-R266 PolarHBondContact O-NH1 2.65Å; S219-R266 PolarHBondContact OG-NH2 2.99Å; S263-R266 WeakPolarHBondContact O-CB 3.28Å; S263-R266 PolarHBondContact O-N 3.16Å; P264-R266 PolarHBondContact O-N 2.9Å; P264-R266 VanDerWaalsContact O-N 3.14Å
267V95.6Very high96.3Very high17 Ų1729.9 Ų29.910%0.10318%0.178CC..EExtended strand (participates in β ladder)trans-75.8124.4-178.6-1770000109.7R7 V9 I11 L257 P264 I270R7-V267 WeakPolarHBondContact CD-O 3.17Å; V9-V267 CarbonylContact O-C 3.43Å; V9-V267 WeakPolarHBondContact O-CA 3.16Å; I11-V267 HydrophobicContact CD1-CB 4.47Å; I11-V267 HydrophobicContact CD1-CG1 3.75Å; I11-V267 HydrophobicContact CD1-CG2 3.8Å; I11-V267 HydrophobicContact CG1-CG1 4.23Å; L257-V267 HydrophobicContact CD2-CG2 4.03Å; P264-V267 PolarHBondContact O-N 2.61Å; V267-I270 HydrophobicContact CG1-CD1 3.99Å; V267-I270 HydrophobicContact CG1-CG1 3.59Å
268S93.3Very high96.2Very high32 Ų3228.3 Ų28.322%0.22417%0.17CC..EExtended strand (participates in β ladder)trans-95.2-58.917560.70000111R7 V9 S10R7-S268 WeakPolarHBondContact O-CB 3.47Å; V9-S268 PolarHBondContact O-N 3.3Å; V9-S268 PolarHBondContact O-OG 3.38Å; S10-S268 PolarHBondContact OG-OG 2.72Å
269D95.2Very high96Very high41 Ų4123.7 Ų23.722%0.21914%0.141CC..EExtended strand (participates in β ladder)trans-124.7138.4-171.8-76.7-61.5000110.5S10 I11 I271 T349 K350S10-D269 CarbonylContact C-O 3.54Å; S10-D269 WeakPolarHBondContact CA-O 3.38Å; I11-D269 PolarHBondContact N-O 3.22Å; D269-I271 HydrophobicContact CB-CG1 4.33Å; D269-T349 WeakPolarHBondContact CA-OG1 3.5Å; D269-T349 PolarHBondContact OD1-OG1 2.8Å; D269-K350 IonicContact OD1-NZ 3.77Å; D269-K350 PolarHBondContact OD1-NZ 2.85Å; D269-K350 IonicContact OD2-NZ 2.75Å
270I97.8Very high95.7Very high22 Ų2223.7 Ų23.711%0.11314%0.141CC..EExtended strand (participates in β ladder)trans-123.5103.8175.9-51.7173.1000106V253 V267 N346 F348 T349 K350V253-I270 HydrophobicContact CG2-CD1 4.08Å; V253-I270 HydrophobicContact CG2-CG1 4.48Å; V253-I270 HydrophobicContact CG2-CG2 3.58Å; V267-I270 HydrophobicContact CG1-CD1 3.99Å; V267-I270 HydrophobicContact CG1-CG1 3.59Å; I270-N346 WeakPolarHBondContact CD1-O 3.41Å; I270-N346 HydrophobicContact CG2-CB 4.45Å; I270-F348 HydrophobicContact CG2-CD1 3.86Å; I270-F348 HydrophobicContact CG2-CE1 4.32Å; I270-F348 CarbonylContact O-C 3.59Å; I270-F348 WeakPolarHBondContact O-CA 3.29Å; I270-T349 PolarHBondContact N-OG1 3.2Å; I270-T349 PolarHBondContact O-N 3.18Å; I270-T349 PolarHBondContact O-OG1 3.06Å; I270-K350 PolarHBondContact O-N 3.08Å
271I98.1Very high94.9Very high3 Ų326.5 Ų26.52%0.01516%0.158CC..EExtended strand (participates in β ladder)trans-101.1113.7-170.6-55.4167.9000108.5I11 V12 L13 L29 D269 I273 K350 W435I11-I271 WeakPolarHBondContact O-CB 3.36Å; I11-I271 PolarHBondContact O-N 2.97Å; V12-I271 HydrophobicContact CG2-CB 4.31Å; V12-I271 HydrophobicContact CG2-CD1 4.24Å; L13-I271 PolarHBondContact N-O 3.5Å; L29-I271 HydrophobicContact CD1-CD1 3.48Å; L29-I271 VanDerWaalsContact CD1-CD1 3.48Å; D269-I271 HydrophobicContact CB-CG1 4.33Å; I271-I273 HydrophobicContact CG2-CD1 3.93Å; I271-K350 VanDerWaalsContact CA-O 3.31Å; I271-K350 WeakPolarHBondContact CA-O 3.39Å; I271-W435 HydrophobicContact CD1-CH2 3.77Å; I271-W435 HydrophobicContact CD1-CZ3 3.83Å; I271-W435 HydrophobicContact CG1-CH2 4.47Å; I271-W435 HydrophobicContact CG1-CZ3 4.12Å; I271-W435 HydrophobicContact CG2-CE3 4.23Å; I271-W435 HydrophobicContact CG2-CZ3 3.76Å
272G98.4Very high94.2Very high0 Ų025.3 Ų25.30%015%0.146CC..EExtended strand (participates in β ladder)trans-88.2118.1174.100000110.9F348 K350 L351 A352G272-F348 VanDerWaalsContact CA-CD1 3.46Å; G272-F348 VanDerWaalsContact CA-CE1 3.44Å; G272-K350 PolarHBondContact N-O 3.21Å; G272-L351 CarbonylContact O-C 3.52Å; G272-L351 VanDerWaalsContact O-CA 3.28Å; G272-L351 WeakPolarHBondContact O-CA 3.38Å; G272-A352 PolarHBondContact O-N 2.9Å
273I97.9Very high93.7Very high0 Ų028.4 Ų28.40%016%0.162CC..EExtended strand (participates in β ladder)trans-86.5115.8173.1-49.8-52.9000108.5V12 L13 S15 E20 K22 V25 I271 A352 T354V12-I273 HydrophobicContact CG1-CD1 3.68Å; V12-I273 HydrophobicContact CG1-CG1 3.51Å; L13-I273 PolarHBondContact O-N 3.1Å; S15-I273 PolarHBondContact N-O 3.41Å; S15-I273 PolarHBondContact OG-O 3.36Å; E20-I273 HydrophobicContact CB-CB 4.32Å; E20-I273 HydrophobicContact CB-CG2 3.77Å; E20-I273 WeakPolarHBondContact CB-O 3.49Å; E20-I273 WeakPolarHBondContact CG-O 3.41Å; E20-I273 WeakPolarHBondContact O-CG2 3.33Å; K22-I273 HydrophobicContact CB-CG1 4.32Å; K22-I273 HydrophobicContact CG-CB 3.95Å; K22-I273 HydrophobicContact CG-CG1 3.7Å; K22-I273 HydrophobicContact CG-CG2 4.26Å; V25-I273 HydrophobicContact CB-CD1 3.84Å; V25-I273 HydrophobicContact CG1-CD1 3.78Å; V25-I273 HydrophobicContact CG2-CD1 3.98Å; I271-I273 HydrophobicContact CG2-CD1 3.93Å; I273-A352 HydrophobicContact CD1-CB 3.55Å; I273-T354 HydrophobicContact CG2-CG2 3.67Å
274V98.3Very high93.4Very high1 Ų126.9 Ų26.91%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-113.8131.9-178.2-177.70000107.5S15 L334 L339 L351 A352 L353 T354S15-V274 WeakPolarHBondContact OG-CG2 3.46Å; V274-L334 HydrophobicContact CG1-CD1 3.93Å; V274-L339 HydrophobicContact CG1-CD2 3.84Å; V274-L339 HydrophobicContact CG2-CD1 3.7Å; V274-L339 HydrophobicContact CG2-CD2 3.83Å; V274-L339 HydrophobicContact CG2-CG 4.45Å; V274-L351 HydrophobicContact CG2-CB 4.4Å; V274-L351 HydrophobicContact CG2-CD1 4.2Å; V274-L351 HydrophobicContact CG2-CD2 3.9Å; V274-L351 HydrophobicContact CG2-CG 4.37Å; V274-A352 PolarHBondContact N-O 3.2Å; V274-A352 VanDerWaalsContact O-O 3.11Å; V274-L353 HydrophobicContact CB-CD1 4.19Å; V274-L353 HydrophobicContact CG1-CD1 3.91Å; V274-L353 CarbonylContact O-C 3.53Å; V274-L353 VanDerWaalsContact O-CA 3.31Å; V274-L353 WeakPolarHBondContact O-CA 3.45Å; V274-T354 PolarHBondContact O-N 3.37Å; V274-T354 PolarHBondContact O-OG1 2.85Å
275K97.2Very high93.2Very high1 Ų123.3 Ų23.30%0.00413%0.131CC..EExtended strand (participates in β ladder)trans-86.6141.3166.8-173-177.6-59.7-171.90109D19 E20 Y277 T279 E320 K355D19-K275 WeakPolarHBondContact O-CE 3.24Å; D19-K275 PolarHBondContact O-NZ 2.77Å; E20-K275 HydrophobicContact CB-CB 4.15Å; E20-K275 HydrophobicContact CG-CB 4.44Å; K275-Y277 CarbonylContact C-O 3.53Å; K275-Y277 WeakPolarHBondContact CB-O 3.47Å; K275-Y277 HydrophobicContact CD-CD1 4.19Å; K275-Y277 HydrophobicContact CD-CD2 4.19Å; K275-Y277 HydrophobicContact CD-CE1 3.84Å; K275-Y277 HydrophobicContact CD-CE2 3.88Å; K275-Y277 HydrophobicContact CD-CG 4.35Å; K275-Y277 WeakPolarHBondContact CD-O 3.47Å; K275-Y277 HydrophobicContact CG-CD1 4.05Å; K275-Y277 HydrophobicContact CG-CE1 3.97Å; K275-Y277 HydrophobicContact CG-CG 4.46Å; K275-Y277 WeakPolarHBondContact CG-O 3.35Å; K275-Y277 PolarHBondContact O-N 3.1Å; K275-T279 HydrophobicContact CD-CG2 4.15Å; K275-T279 PolarHBondContact NZ-OG1 3.25Å; K275-E320 VanDerWaalsContact NZ-CD 3.25Å; K275-E320 IonicContact NZ-OE1 2.8Å; K275-E320 PolarHBondContact NZ-OE1 3.4Å; K275-E320 IonicContact NZ-OE2 2.65Å; K275-E320 PolarHBondContact NZ-OE2 2.86Å; K275-E320 VanDerWaalsContact NZ-OE2 3.12Å; K275-K355 HydrophobicContact CD-CD 4.23Å; K275-K355 HydrophobicContact CG-CB 4.22Å; K275-K355 HydrophobicContact CG-CD 4.43Å
276A98.1Very high93.3Very high0 Ų016.5 Ų16.50%010%0.099CC..SBendtrans-59-13.9-178.800000114.2L353 T354 L356 L359 Y421A276-L353 HydrophobicContact CB-CD1 4.18Å; A276-L353 HydrophobicContact CB-CG 4.27Å; A276-T354 WeakPolarHBondContact CB-O 3.27Å; A276-T354 PolarHBondContact N-O 2.86Å; A276-L356 HydrophobicContact CB-CB 4.48Å; A276-L356 HydrophobicContact CB-CD1 4.12Å; A276-L359 HydrophobicContact CB-CD1 3.9Å; A276-L359 HydrophobicContact CB-CG 4.46Å; A276-Y421 HydrophobicContact CB-CE1 4.3Å; A276-Y421 PolarHBondContact O-OH 3.24Å
277Y97.4Very high93.3Very high0 Ų014.9 Ų14.90%09%0.094CC..SBendtrans-141.6168170.361.7-80.1000107.9K275 T279 L314 G318 E320 G332 K355 V358 L359K275-Y277 CarbonylContact C-O 3.53Å; K275-Y277 WeakPolarHBondContact CB-O 3.47Å; K275-Y277 HydrophobicContact CD-CD1 4.19Å; K275-Y277 HydrophobicContact CD-CD2 4.19Å; K275-Y277 HydrophobicContact CD-CE1 3.84Å; K275-Y277 HydrophobicContact CD-CE2 3.88Å; K275-Y277 HydrophobicContact CD-CG 4.35Å; K275-Y277 WeakPolarHBondContact CD-O 3.47Å; K275-Y277 HydrophobicContact CG-CD1 4.05Å; K275-Y277 HydrophobicContact CG-CE1 3.97Å; K275-Y277 HydrophobicContact CG-CG 4.46Å; K275-Y277 WeakPolarHBondContact CG-O 3.35Å; K275-Y277 PolarHBondContact O-N 3.1Å; Y277-T279 HydrophobicContact CD2-CG2 3.93Å; Y277-T279 HydrophobicContact CE2-CG2 3.45Å; Y277-T279 VanDerWaalsContact CE2-CG2 3.45Å; Y277-L314 HydrophobicContact CD1-CD2 4.34Å; Y277-L314 HydrophobicContact CD2-CB 4.37Å; Y277-L314 HydrophobicContact CD2-CD1 4.15Å; Y277-L314 HydrophobicContact CD2-CD2 4.23Å; Y277-L314 HydrophobicContact CD2-CG 4.5Å; Y277-L314 HydrophobicContact CE2-CB 4.27Å; Y277-L314 HydrophobicContact CG-CD1 4.44Å; Y277-L314 HydrophobicContact CG-CD2 4.08Å; Y277-G318 WeakPolarHBondContact OH-CA 3.48Å; Y277-E320 HydrophobicContact CE2-CG 4.03Å; Y277-E320 VanDerWaalsContact OH-CG 3.27Å; Y277-E320 WeakPolarHBondContact OH-CG 3.49Å; Y277-E320 PolarHBondContact OH-OE1 3.07Å; Y277-G332 WeakPolarHBondContact CB-O 3.3Å; Y277-K355 HydrophobicContact CE1-CB 4.03Å; Y277-K355 HydrophobicContact CE1-CD 4.38Å; Y277-V358 HydrophobicContact CD1-CB 4.39Å; Y277-V358 HydrophobicContact CD1-CG1 4.26Å; Y277-V358 HydrophobicContact CE1-CB 3.67Å; Y277-V358 HydrophobicContact CE1-CG1 3.56Å; Y277-V358 HydrophobicContact CE1-CG2 3.98Å; Y277-L359 HydrophobicContact CD1-CD2 4.32Å
278E95.9Very high93.2Very high0 Ų014 Ų140%09%0.089CC..EExtended strand (participates in β ladder)trans-92.8144.3-178.7-65.7-130.4150.300112.1Q16 W17 F286 C331 G332 W333 D335Q16-E278 PolarHBondContact NE2-OE1 3.09Å; W17-E278 PolarHBondContact NE1-OE2 3.01Å; E278-F286 HydrophobicContact CB-CE2 3.49Å; E278-F286 VanDerWaalsContact CB-CE2 3.49Å; E278-F286 HydrophobicContact CB-CZ 3.44Å; E278-F286 VanDerWaalsContact CB-CZ 3.44Å; E278-F286 HydrophobicContact CG-CE2 4.28Å; E278-F286 WeakPolarHBondContact OE2-CE2 3.38Å; E278-C331 WeakPolarHBondContact O-CA 3.42Å; E278-G332 PolarHBondContact N-O 3.43Å; E278-G332 PolarHBondContact O-N 2.84Å; E278-W333 WeakPolarHBondContact CG-O 3.11Å; E278-D335 HydrophobicContact CG-CB 4.19Å; E278-D335 WeakPolarHBondContact OE1-CB 3.29Å
279T94Very high93.2Very high2 Ų213.3 Ų13.31%0.0128%0.081CC..EExtended strand (participates in β ladder)trans-135.7153.7164.955.30000110.5W17 D19 K275 Y277 E320 R330W17-T279 WeakPolarHBondContact CB-O 3.42Å; D19-T279 PolarHBondContact OD1-OG1 3.45Å; D19-T279 WeakPolarHBondContact OD2-CB 3.22Å; D19-T279 PolarHBondContact OD2-OG1 3.04Å; K275-T279 HydrophobicContact CD-CG2 4.15Å; K275-T279 PolarHBondContact NZ-OG1 3.25Å; Y277-T279 HydrophobicContact CD2-CG2 3.93Å; Y277-T279 HydrophobicContact CE2-CG2 3.45Å; Y277-T279 VanDerWaalsContact CE2-CG2 3.45Å; T279-E320 HydrophobicContact CG2-CB 4.24Å; T279-E320 HydrophobicContact CG2-CG 3.78Å; T279-R330 CarbonylContact C-O 3.49Å; T279-R330 WeakPolarHBondContact CA-O 3.31Å; T279-R330 WeakPolarHBondContact CB-O 3.38Å
280R90.6Very high93Very high2 Ų211.8 Ų11.81%0.0087%0.073CC..EExtended strand (participates in β ladder)trans-143138.3177.6-176.8172.6172.5161-4.2111.4W17 D283 P285 F286 R330W17-R280 HydrophobicContact CB-CB 4.37Å; W17-R280 HydrophobicContact CB-CG 4.36Å; W17-R280 HydrophobicContact CD2-CB 4.41Å; W17-R280 HydrophobicContact CD2-CG 4.06Å; W17-R280 HydrophobicContact CE3-CG 4.25Å; W17-R280 HydrophobicContact CG-CB 4.05Å; W17-R280 HydrophobicContact CG-CG 4.09Å; W17-R280 VanDerWaalsContact CZ3-CZ 3.48Å; R280-D283 PolarHBondContact NE-O 2.83Å; R280-D283 PolarHBondContact NH2-O 2.92Å; R280-P285 PolarHBondContact NH1-O 2.97Å; R280-F286 HydrophobicContact CB-CD1 3.97Å; R280-F286 HydrophobicContact CB-CE1 4.11Å; R280-F286 HydrophobicContact CB-CG 4.45Å; R280-R330 PolarHBondContact N-O 3.42Å; R280-R330 PolarHBondContact O-N 3.2Å
281V82.6Confident91.6Very high60 Ų6012.8 Ų12.836%0.3648%0.079SC..  trans-97.3140.9166.5179.40000108.8R329V281-R329 HydrophobicContact CG2-CG 3.77Å
282G80.9Confident89.3Confident18 Ų1814.9 Ų14.919%0.1869%0.09CC..SBendtrans84.4-176.7175.700000113.9R330G282-R330 WeakPolarHBondContact O-CD 3.5Å; G282-R330 PolarHBondContact O-NH1 3.08Å
283D83.8Confident86.8Confident79 Ų7920.4 Ų20.442%0.42212%0.124SC..SBendtrans-84.1178.7-173.3-65.2-36.7000111.9Y245 R280Y245-D283 HydrophobicContact CD1-CB 4.05Å; Y245-D283 HydrophobicContact CE1-CB 4Å; R280-D283 PolarHBondContact NE-O 2.83Å; R280-D283 PolarHBondContact NH2-O 2.92Å
284G87.5Confident84.2Confident18 Ų1822.7 Ų22.719%0.18614%0.136CC..SBendtrans101.7169176.100000114.6F286 R330G284-F286 PolarHBondContact O-N 3.34Å; G284-R330 VanDerWaalsContact O-CZ 3.32Å; G284-R330 PolarHBondContact O-NH1 3.5Å; G284-R330 PolarHBondContact O-NH2 2.85Å
285P90.5Very high81.7Confident12 Ų1223.9 Ų23.98%0.07814%0.141CC..  trans-59.3126.8-174.8-22.830.4000113.4T242 R280 A385 F388 A389T242-P285 HydrophobicContact CG2-CB 4.5Å; T242-P285 HydrophobicContact CG2-CG 3.96Å; R280-P285 PolarHBondContact NH1-O 2.97Å; P285-A385 HydrophobicContact CG-CB 4.08Å; P285-A385 WeakPolarHBondContact CG-O 3.17Å; P285-F388 HydrophobicContact CB-CB 4.17Å; P285-F388 HydrophobicContact CB-CD1 4.14Å; P285-F388 HydrophobicContact CB-CG 4.13Å; P285-F388 HydrophobicContact CG-CB 4.19Å; P285-A389 HydrophobicContact CB-CB 4.34Å; P285-A389 HydrophobicContact CG-CB 4.13Å
286F93Very high78.9Confident1 Ų127.7 Ų27.70%0.00416%0.161CC..  trans-131.889.1174.8-177.7-166.5000108.3E278 R280 G284 T288 E289 R330E278-F286 HydrophobicContact CB-CE2 3.49Å; E278-F286 VanDerWaalsContact CB-CE2 3.49Å; E278-F286 HydrophobicContact CB-CZ 3.44Å; E278-F286 VanDerWaalsContact CB-CZ 3.44Å; E278-F286 HydrophobicContact CG-CE2 4.28Å; E278-F286 WeakPolarHBondContact OE2-CE2 3.38Å; R280-F286 HydrophobicContact CB-CD1 3.97Å; R280-F286 HydrophobicContact CB-CE1 4.11Å; R280-F286 HydrophobicContact CB-CG 4.45Å; G284-F286 PolarHBondContact O-N 3.34Å; F286-T288 VanDerWaalsContact C-N 3.32Å; F286-T288 VanDerWaalsContact CE2-OG1 3.28Å; F286-T288 WeakPolarHBondContact CE2-OG1 3.33Å; F286-T288 PolarHBondContact O-N 3Å; F286-E289 HydrophobicContact CB-CB 3.98Å; F286-E289 HydrophobicContact CD1-CB 3.52Å; F286-E289 HydrophobicContact CD1-CG 3.69Å; F286-E289 HydrophobicContact CD2-CB 4.43Å; F286-E289 HydrophobicContact CE1-CB 4.04Å; F286-E289 HydrophobicContact CE1-CG 4.09Å; F286-E289 HydrophobicContact CG-CB 3.74Å; F286-E289 HydrophobicContact CG-CG 4.38Å; F286-E289 WeakPolarHBondContact O-CB 3.29Å; F286-E289 PolarHBondContact O-N 2.8Å; F286-R330 HydrophobicContact CD1-CB 3.81Å; F286-R330 HydrophobicContact CE1-CB 3.9Å
287P92.6Very high76.3Confident3 Ų334 Ų342%0.01919%0.193CC..THydrogen-bonded Turntrans-59.3-37.8-166.1-29.337.1000114.9E289 Y371 F388 V391 V393P287-E289 VanDerWaalsContact C-N 3.28Å; P287-E289 PolarHBondContact O-N 2.99Å; P287-Y371 HydrophobicContact CB-CE1 3.9Å; P287-Y371 HydrophobicContact CG-CE1 4.38Å; P287-Y371 HydrophobicContact CG-CE2 4.46Å; P287-Y371 WeakPolarHBondContact CG-OH 3.43Å; P287-F388 HydrophobicContact CG-CD2 3.95Å; P287-F388 HydrophobicContact CG-CE2 3.32Å; P287-F388 HydrophobicContact CG-CZ 3.77Å; P287-V391 HydrophobicContact CB-CG2 3.77Å; P287-V391 HydrophobicContact CG-CG2 3.78Å; P287-V393 HydrophobicContact CB-CG2 3.57Å; P287-V393 VanDerWaalsContact O-CG2 3.3Å; P287-V393 WeakPolarHBondContact O-CG2 3.42Å
288T94.4Very high73.9Confident0 Ų039.3 Ų39.30%022%0.22CC..THydrogen-bonded Turntrans-87.97.5179.854.10000114.1F286 L290 G332 W333 D335 V393 Y395F286-T288 VanDerWaalsContact C-N 3.32Å; F286-T288 VanDerWaalsContact CE2-OG1 3.28Å; F286-T288 WeakPolarHBondContact CE2-OG1 3.33Å; F286-T288 PolarHBondContact O-N 3Å; T288-L290 PolarHBondContact O-N 2.91Å; T288-G332 CarbonylContact O-C 3.47Å; T288-G332 WeakPolarHBondContact O-CA 3.45Å; T288-W333 WeakPolarHBondContact CB-O 3.32Å; T288-W333 PolarHBondContact O-N 2.59Å; T288-W333 VanDerWaalsContact O-N 3.13Å; T288-W333 PolarHBondContact OG1-O 2.77Å; T288-D335 HydrophobicContact CG2-CB 3.85Å; T288-D335 VanDerWaalsContact CG2-OD2 3.23Å; T288-D335 WeakPolarHBondContact CG2-OD2 3.41Å; T288-V393 HydrophobicContact CG2-CG1 4.02Å; T288-V393 HydrophobicContact CG2-CG2 4.21Å; T288-Y395 WeakPolarHBondContact CA-OH 3.38Å; T288-Y395 HydrophobicContact CG2-CE1 4.16Å
289E93.4Very high71.4Confident16 Ų1640.4 Ų40.48%0.07523%0.227CC..BIsolated β-bridgetrans-58.2133.8-179.1-168.8174.3-168.900112F286 P287 N291 R330F286-E289 HydrophobicContact CB-CB 3.98Å; F286-E289 HydrophobicContact CD1-CB 3.52Å; F286-E289 HydrophobicContact CD1-CG 3.69Å; F286-E289 HydrophobicContact CD2-CB 4.43Å; F286-E289 HydrophobicContact CE1-CB 4.04Å; F286-E289 HydrophobicContact CE1-CG 4.09Å; F286-E289 HydrophobicContact CG-CB 3.74Å; F286-E289 HydrophobicContact CG-CG 4.38Å; F286-E289 WeakPolarHBondContact O-CB 3.29Å; F286-E289 PolarHBondContact O-N 2.8Å; P287-E289 VanDerWaalsContact C-N 3.28Å; P287-E289 PolarHBondContact O-N 2.99Å; E289-N291 VanDerWaalsContact C-N 3.3Å; E289-N291 VanDerWaalsContact CD-CG 3.5Å; E289-N291 HydrophobicContact CG-CB 4.11Å; E289-N291 PolarHBondContact O-N 2.81Å; E289-N291 PolarHBondContact OE1-ND2 3.44Å; E289-N291 PolarHBondContact OE2-ND2 3.23Å; E289-R330 HydrophobicContact CG-CB 4.42Å; E289-R330 WeakPolarHBondContact OE1-CB 3.38Å; E289-R330 WeakPolarHBondContact OE1-CG 3.31Å; E289-R330 IonicContact OE1-CZ 3.89Å; E289-R330 IonicContact OE1-NE 3.04Å; E289-R330 PolarHBondContact OE1-NE 2.84Å; E289-R330 IonicContact OE1-NH2 3.87Å; E289-R330 IonicContact OE2-CZ 3.71Å; E289-R330 VanDerWaalsContact OE2-CZ 3.26Å; E289-R330 IonicContact OE2-NE 3.94Å; E289-R330 PolarHBondContact OE2-NE 3.13Å; E289-R330 VanDerWaalsContact OE2-NE 3.1Å; E289-R330 IonicContact OE2-NH2 2.65Å; E289-R330 PolarHBondContact OE2-NH2 2.84Å
290L89.7Confident69.3Low9 Ų943.7 Ų43.75%0.04725%0.249CC..  trans-92.366.6176.6-68164.8000109.7T288 L307 T310 L314 C331 W333T288-L290 PolarHBondContact O-N 2.91Å; L290-L307 HydrophobicContact CD2-CD2 3.79Å; L290-T310 HydrophobicContact CD1-CG2 3.7Å; L290-T310 HydrophobicContact CD2-CG2 4.44Å; L290-L314 HydrophobicContact CD1-CD1 3.62Å; L290-C331 PolarHBondContact N-O 2.87Å; L290-W333 HydrophobicContact CD1-CD2 4.1Å; L290-W333 HydrophobicContact CD1-CG 4.24Å; L290-W333 HydrophobicContact CD1-CZ2 4.35Å
291N68.2Low67.3Low43 Ų4352.1 Ų52.123%0.2329%0.285CS..SBendtrans-129.1168.7169.974.114.4000110.6E289 V293E289-N291 VanDerWaalsContact C-N 3.3Å; E289-N291 VanDerWaalsContact CD-CG 3.5Å; E289-N291 HydrophobicContact CG-CB 4.11Å; E289-N291 PolarHBondContact O-N 2.81Å; E289-N291 PolarHBondContact OE1-ND2 3.44Å; E289-N291 PolarHBondContact OE2-ND2 3.23Å; N291-V293 PolarHBondContact O-N 3.36Å; N291-V293 VanDerWaalsContact O-N 3.17Å; N291-V293 PolarHBondContact OD1-N 3.3Å; N291-V293 VanDerWaalsContact OD1-N 3.16Å
292D50.3Low65.9Low48 Ų4854.6 Ų54.626%0.25730%0.296SS..THydrogen-bonded Turntrans-61.6-25.7-175.5-63-44000113.9L296 S304 Q308D292-L296 VanDerWaalsContact O-CD1 3.32Å; D292-L296 WeakPolarHBondContact O-CD1 3.38Å; D292-L296 VanDerWaalsContact O-CG 3.24Å; D292-L296 WeakPolarHBondContact O-CG 3.47Å; D292-S304 WeakPolarHBondContact OD1-CB 3.34Å; D292-S304 PolarHBondContact OD1-OG 2.85Å; D292-Q308 WeakPolarHBondContact OD1-CG 3.45Å; D292-Q308 PolarHBondContact OD1-NE2 3.14Å; D292-Q308 PolarHBondContact OD2-NE2 2.65Å
293V46Very low64.4Low115 Ų11559.4 Ų59.470%0.69731%0.312SS*.THydrogen-bonded Turntrans-85.1-24.6-154-175.40000112.7N291N291-V293 PolarHBondContact O-N 3.36Å; N291-V293 VanDerWaalsContact O-N 3.17Å; N291-V293 PolarHBondContact OD1-N 3.3Å; N291-V293 VanDerWaalsContact OD1-N 3.16Å
294I44.5Very low63Low49 Ų4956.9 Ų56.925%0.25130%0.301SS..THydrogen-bonded Turntrans-100.8-17.3-169.4-62.2178.8000113.9
295Q44.7Very low61.4Low25 Ų2563.3 Ų63.312%0.11732%0.32CS..  trans-118.621.5-177.8-77-174.531.200116.5I297 I298 T299 L307 Y395Q295-I297 PolarHBondContact O-N 3Å; Q295-I297 VanDerWaalsContact O-N 3.1Å; Q295-I298 PolarHBondContact O-N 2.82Å; Q295-T299 WeakPolarHBondContact O-CB 3.42Å; Q295-T299 PolarHBondContact O-N 2.77Å; Q295-T299 PolarHBondContact O-OG1 3.15Å; Q295-L307 HydrophobicContact CB-CD1 4.01Å; Q295-Y395 PolarHBondContact NE2-OH 2.87Å
296L37.7Very low59.7Low81 Ų8168.2 Ų68.242%0.42434%0.34SS..THydrogen-bonded Turntrans-65-8173.3-78.1163.8000114.5D292 K301D292-L296 VanDerWaalsContact O-CD1 3.32Å; D292-L296 WeakPolarHBondContact O-CD1 3.38Å; D292-L296 VanDerWaalsContact O-CG 3.24Å; D292-L296 WeakPolarHBondContact O-CG 3.47Å; L296-K301 HydrophobicContact CD2-CG 4.02Å
297I44.7Very low58.2Low132 Ų13268.7 Ų68.768%0.67734%0.343SS*.THydrogen-bonded Turntrans-83.2-28.3176.7-59.3179.8000111.7Q295Q295-I297 PolarHBondContact O-N 3Å; Q295-I297 VanDerWaalsContact O-N 3.1Å
298I45.9Very low57.1Low112 Ų11272.7 Ų72.757%0.57436%0.361SS*.THydrogen-bonded Turntrans-113.4-32.5-176.8-52.5177.2000111.5Q295 P300Q295-I298 PolarHBondContact O-N 2.82Å; I298-P300 WeakPolarHBondContact O-CD 3.48Å
299T44.7Very low56.5Low24 Ų2477.3 Ų77.315%0.14738%0.383CS..SBendtrans-88.2115.4177.3-50.70000107.7Q295 K301 K303 L307Q295-T299 WeakPolarHBondContact O-CB 3.42Å; Q295-T299 PolarHBondContact O-N 2.77Å; Q295-T299 PolarHBondContact O-OG1 3.15Å; T299-K301 PolarHBondContact O-N 2.82Å; T299-K303 HydrophobicContact CG2-CB 3.48Å; T299-K303 VanDerWaalsContact CG2-CB 3.48Å; T299-L307 HydrophobicContact CG2-CD1 4.47Å
300P48.7Very low56.3Low71 Ų7177.1 Ų77.146%0.46138%0.382SS..  trans-57.2145177.326-33.1000109I298 D302 K303I298-P300 WeakPolarHBondContact O-CD 3.48Å; P300-D302 VanDerWaalsContact C-OD1 3.25Å; P300-D302 WeakPolarHBondContact CB-OD1 3.45Å; P300-D302 VanDerWaalsContact CG-OD1 3.25Å; P300-D302 WeakPolarHBondContact CG-OD1 3.49Å; P300-D302 PolarHBondContact O-N 2.86Å; P300-K303 HydrophobicContact CG-CD 4.2Å; P300-K303 HydrophobicContact CG-CG 4.35Å; P300-K303 PolarHBondContact O-N 3.17Å
301K50Low56.3Low178 Ų17876.8 Ų76.877%0.77438%0.382SS*.G310 helixtrans-52.1-25.9-170.9-79.3-175.6175.3-178.30113.4L296 T299 K303L296-K301 HydrophobicContact CD2-CG 4.02Å; T299-K301 PolarHBondContact O-N 2.82Å; K301-K303 VanDerWaalsContact C-N 3.27Å; K301-K303 PolarHBondContact O-N 3.05Å
302D51.6Low57.3Low112 Ų11279.5 Ų79.560%0.59939%0.391SS*.G310 helixtrans-74.4-6.8176.864.1-25.9000114.6P300 W305P300-D302 VanDerWaalsContact C-OD1 3.25Å; P300-D302 WeakPolarHBondContact CB-OD1 3.45Å; P300-D302 VanDerWaalsContact CG-OD1 3.25Å; P300-D302 WeakPolarHBondContact CG-OD1 3.49Å; P300-D302 PolarHBondContact O-N 2.86Å; D302-W305 PolarHBondContact O-NE1 3.4Å
303K50.1Low59.4Low119 Ų11980.8 Ų80.852%0.51740%0.395SS..G310 helixtrans-116.61.7177.8-69.9-172.6-178.7-176.70114.7T299 P300 K301 W305 F306T299-K303 HydrophobicContact CG2-CB 3.48Å; T299-K303 VanDerWaalsContact CG2-CB 3.48Å; P300-K303 HydrophobicContact CG-CD 4.2Å; P300-K303 HydrophobicContact CG-CG 4.35Å; P300-K303 PolarHBondContact O-N 3.17Å; K301-K303 VanDerWaalsContact C-N 3.27Å; K301-K303 PolarHBondContact O-N 3.05Å; K303-W305 PolarHBondContact O-N 3.33Å; K303-F306 WeakPolarHBondContact O-CB 3.41Å; K303-F306 PolarHBondContact O-N 3.1Å; K303-F306 VanDerWaalsContact O-N 3.09Å
304S53.9Low61.7Low27 Ų2775.3 Ų75.319%0.18936%0.362CS..Hα-helixtrans-59.8-33.3-179.776.10000112.7D292 F306 L307 Q308D292-S304 WeakPolarHBondContact OD1-CB 3.34Å; D292-S304 PolarHBondContact OD1-OG 2.85Å; S304-F306 PolarHBondContact O-N 3.03Å; S304-F306 VanDerWaalsContact O-N 3.16Å; S304-L307 WeakPolarHBondContact O-CB 3.46Å; S304-L307 PolarHBondContact O-N 3.38Å; S304-Q308 PolarHBondContact O-N 3.49Å
305W54.7Low64Low152 Ų15275.9 Ų75.958%0.57636%0.361SS*.Hα-helixtrans-55.6-32.3176.165.5-94.5000113.1D302 K303 L307 Q308 E309D302-W305 PolarHBondContact O-NE1 3.4Å; K303-W305 PolarHBondContact O-N 3.33Å; W305-L307 PolarHBondContact O-N 3.14Å; W305-Q308 PolarHBondContact O-N 3.24Å; W305-E309 PolarHBondContact O-N 3.39Å; W305-E309 VanDerWaalsContact O-N 3.1Å
306F55.1Low66.4Low116 Ų11678.8 Ų78.851%0.50937%0.374SS..Hα-helixtrans-67-36.3179.1178-95.4000112.2K303 S304 E309 T310K303-F306 WeakPolarHBondContact O-CB 3.41Å; K303-F306 PolarHBondContact O-N 3.1Å; K303-F306 VanDerWaalsContact O-N 3.09Å; S304-F306 PolarHBondContact O-N 3.03Å; S304-F306 VanDerWaalsContact O-N 3.16Å; F306-E309 PolarHBondContact O-N 3.13Å; F306-T310 WeakPolarHBondContact O-CB 3.45Å; F306-T310 PolarHBondContact O-N 3.07Å; F306-T310 PolarHBondContact O-OG1 2.86Å
307L61Low69.1Low10 Ų1077.8 Ų77.85%0.05237%0.369CS..Hα-helixtrans-67-43.6176.9-63.7174.6000110.8L290 Q295 T299 S304 W305 E309 T310 G311L290-L307 HydrophobicContact CD2-CD2 3.79Å; Q295-L307 HydrophobicContact CB-CD1 4.01Å; T299-L307 HydrophobicContact CG2-CD1 4.47Å; S304-L307 WeakPolarHBondContact O-CB 3.46Å; S304-L307 PolarHBondContact O-N 3.38Å; W305-L307 PolarHBondContact O-N 3.14Å; L307-E309 VanDerWaalsContact C-N 3.34Å; L307-E309 PolarHBondContact O-N 3.05Å; L307-T310 PolarHBondContact O-N 3.31Å; L307-G311 PolarHBondContact O-N 3.02Å
308Q68.6Low71.4Confident87 Ų8771.7 Ų71.741%0.40734%0.338SS..Hα-helixtrans-57.9-46.4175.3-63.7-174.8-27.700111.9D292 S304 W305 T310 G311 K312D292-Q308 WeakPolarHBondContact OD1-CG 3.45Å; D292-Q308 PolarHBondContact OD1-NE2 3.14Å; D292-Q308 PolarHBondContact OD2-NE2 2.65Å; S304-Q308 PolarHBondContact O-N 3.49Å; W305-Q308 PolarHBondContact O-N 3.24Å; Q308-T310 VanDerWaalsContact C-N 3.31Å; Q308-T310 PolarHBondContact O-N 3.22Å; Q308-G311 PolarHBondContact O-N 2.78Å; Q308-K312 WeakPolarHBondContact O-CB 3.4Å; Q308-K312 PolarHBondContact O-N 3.04Å
309E81.9Confident73.6Confident97 Ų9771.3 Ų71.345%0.45333%0.334SS..Hα-helixtrans-65.4-36.3179.5-74.3-62.7117.200111.6W305 F306 L307 K312 K313W305-E309 PolarHBondContact O-N 3.39Å; W305-E309 VanDerWaalsContact O-N 3.1Å; F306-E309 PolarHBondContact O-N 3.13Å; L307-E309 VanDerWaalsContact C-N 3.34Å; L307-E309 PolarHBondContact O-N 3.05Å; E309-K312 IonicContact OE1-NZ 3.13Å; E309-K313 WeakPolarHBondContact O-CB 3.19Å; E309-K313 PolarHBondContact O-N 3.25Å
310T89.5Confident75.8Confident12 Ų1270.1 Ų70.17%0.07433%0.327CS..Hα-helixtrans-65.3-49.1174.8-56.40000111.5L290 F306 L307 Q308 K312 K313 L314 W333 F362L290-T310 HydrophobicContact CD1-CG2 3.7Å; L290-T310 HydrophobicContact CD2-CG2 4.44Å; F306-T310 WeakPolarHBondContact O-CB 3.45Å; F306-T310 PolarHBondContact O-N 3.07Å; F306-T310 PolarHBondContact O-OG1 2.86Å; L307-T310 PolarHBondContact O-N 3.31Å; Q308-T310 VanDerWaalsContact C-N 3.31Å; Q308-T310 PolarHBondContact O-N 3.22Å; T310-K312 PolarHBondContact O-N 3.45Å; T310-K313 WeakPolarHBondContact O-CB 3.39Å; T310-K313 PolarHBondContact O-N 2.79Å; T310-L314 PolarHBondContact O-N 3.48Å; T310-W333 HydrophobicContact CG2-CH2 3.9Å; T310-W333 HydrophobicContact CG2-CZ2 3.4Å; T310-W333 VanDerWaalsContact CG2-CZ2 3.4Å; T310-F362 HydrophobicContact CG2-CE1 3.82Å
311G90.6Very high77.7Confident3 Ų370.8 Ų70.83%0.03132%0.32CS..Hα-helixtrans-63.9-39.9178.300000112.5L307 Q308 R315L307-G311 PolarHBondContact O-N 3.02Å; Q308-G311 PolarHBondContact O-N 2.78Å; G311-R315 WeakPolarHBondContact O-CB 3.41Å; G311-R315 PolarHBondContact O-N 3.41Å
312K89.5Confident79.1Confident99 Ų9962.6 Ų62.643%0.4329%0.287SS..Hα-helixtrans-64.9-43.4172.5-176.4-178.7172.9-167.60111.4Q308 E309 T310 L314 R315 E316Q308-K312 WeakPolarHBondContact O-CB 3.4Å; Q308-K312 PolarHBondContact O-N 3.04Å; E309-K312 IonicContact OE1-NZ 3.13Å; T310-K312 PolarHBondContact O-N 3.45Å; K312-L314 PolarHBondContact O-N 2.85Å; K312-R315 WeakPolarHBondContact O-CB 3.21Å; K312-R315 PolarHBondContact O-N 3.4Å; K312-R315 VanDerWaalsContact O-N 3.11Å; K312-E316 HydrophobicContact CG-CG 4.35Å; K312-E316 WeakPolarHBondContact O-CG 3.5Å; K312-E316 PolarHBondContact O-N 3.32Å
313K93.2Very high80.1Confident76 Ų7661.2 Ų61.233%0.3328%0.282SS..Hα-helixtrans-58.8-47.1175.9-177.6178.5178-169.10111.5E309 T310 R315 E316 I317 T361 F362E309-K313 WeakPolarHBondContact O-CB 3.19Å; E309-K313 PolarHBondContact O-N 3.25Å; T310-K313 WeakPolarHBondContact O-CB 3.39Å; T310-K313 PolarHBondContact O-N 2.79Å; K313-R315 VanDerWaalsContact C-N 3.31Å; K313-R315 PolarHBondContact O-N 3.11Å; K313-E316 PolarHBondContact O-N 2.96Å; K313-I317 HydrophobicContact CD-CD1 4.38Å; K313-I317 HydrophobicContact CG-CD1 3.62Å; K313-I317 HydrophobicContact CG-CG1 4.38Å; K313-I317 WeakPolarHBondContact O-CB 3.47Å; K313-I317 VanDerWaalsContact O-CG1 3.27Å; K313-I317 WeakPolarHBondContact O-CG1 3.4Å; K313-I317 PolarHBondContact O-N 2.88Å; K313-T361 WeakPolarHBondContact CE-OG1 3.5Å; K313-T361 PolarHBondContact NZ-O 3.04Å; K313-T361 PolarHBondContact NZ-OG1 3.17Å; K313-T361 VanDerWaalsContact NZ-OG1 3.11Å; K313-F362 HydrophobicContact CB-CZ 4.4Å; K313-F362 HydrophobicContact CD-CE1 4.02Å; K313-F362 HydrophobicContact CD-CE2 4.34Å; K313-F362 HydrophobicContact CD-CZ 3.78Å; K313-F362 HydrophobicContact CG-CE2 4.5Å; K313-F362 HydrophobicContact CG-CZ 3.94Å
314L94.3Very high81Confident0 Ų057.7 Ų57.70%027%0.271CS..Hα-helixtrans-58.1-44.2172.9-73.6173.6000111.6Y277 L290 T310 K312 G318 C331 W333 V358 L359 F362Y277-L314 HydrophobicContact CD1-CD2 4.34Å; Y277-L314 HydrophobicContact CD2-CB 4.37Å; Y277-L314 HydrophobicContact CD2-CD1 4.15Å; Y277-L314 HydrophobicContact CD2-CD2 4.23Å; Y277-L314 HydrophobicContact CD2-CG 4.5Å; Y277-L314 HydrophobicContact CE2-CB 4.27Å; Y277-L314 HydrophobicContact CG-CD1 4.44Å; Y277-L314 HydrophobicContact CG-CD2 4.08Å; L290-L314 HydrophobicContact CD1-CD1 3.62Å; T310-L314 PolarHBondContact O-N 3.48Å; K312-L314 PolarHBondContact O-N 2.85Å; L314-G318 WeakPolarHBondContact O-CA 3.43Å; L314-G318 PolarHBondContact O-N 3.01Å; L314-C331 HydrophobicContact CB-CB 4.14Å; L314-C331 HydrophobicContact CD1-CB 4.49Å; L314-W333 HydrophobicContact CD1-CZ3 4.4Å; L314-V358 HydrophobicContact CD2-CG1 3.97Å; L314-L359 HydrophobicContact CD2-CD2 3.69Å; L314-F362 HydrophobicContact CD2-CE2 3.83Å; L314-F362 HydrophobicContact CD2-CZ 3.63Å; L314-F362 HydrophobicContact CG-CZ 3.87Å
315R94.3Very high81.9Confident61 Ų6159.1 Ų59.123%0.2328%0.278CS..Hα-helixtrans-60.8-48.4178.9-175.3-175.9-63.8134.73.4112.4G311 K312 K313 H319 E320 Y321 R329G311-R315 WeakPolarHBondContact O-CB 3.41Å; G311-R315 PolarHBondContact O-N 3.41Å; K312-R315 WeakPolarHBondContact O-CB 3.21Å; K312-R315 PolarHBondContact O-N 3.4Å; K312-R315 VanDerWaalsContact O-N 3.11Å; K313-R315 VanDerWaalsContact C-N 3.31Å; K313-R315 PolarHBondContact O-N 3.11Å; R315-H319 WeakPolarHBondContact O-CA 3.27Å; R315-H319 PolarHBondContact O-N 2.7Å; R315-E320 HydrophobicContact CG-CB 4.12Å; R315-E320 PolarHBondContact O-N 3.44Å; R315-Y321 HydrophobicContact CG-CE2 4.38Å; R315-R329 PolarHBondContact NE-O 3.45Å; R315-R329 PolarHBondContact NH2-O 3.43Å
316E94.2Very high83.1Confident85 Ų8554.3 Ų54.340%0.39728%0.276SS..Hα-helixtrans-70.2-48-176.3-62.1-42.9143.300111.7K312 K313 G318 H319 Y321K312-E316 HydrophobicContact CG-CG 4.35Å; K312-E316 WeakPolarHBondContact O-CG 3.5Å; K312-E316 PolarHBondContact O-N 3.32Å; K313-E316 PolarHBondContact O-N 2.96Å; E316-G318 VanDerWaalsContact C-N 3.32Å; E316-G318 PolarHBondContact O-N 2.75Å; E316-H319 PolarHBondContact O-N 3.24Å; E316-Y321 PolarHBondContact OE1-OH 3.45Å; E316-Y321 PolarHBondContact OE2-OH 3.44Å
317I93.6Very high84.4Confident61 Ų6153.7 Ų53.731%0.31327%0.271SS..Hα-helixtrans-62.9-43.5177.9-61.4172.2000109.9K313 H319 V358K313-I317 HydrophobicContact CD-CD1 4.38Å; K313-I317 HydrophobicContact CG-CD1 3.62Å; K313-I317 HydrophobicContact CG-CG1 4.38Å; K313-I317 WeakPolarHBondContact O-CB 3.47Å; K313-I317 VanDerWaalsContact O-CG1 3.27Å; K313-I317 WeakPolarHBondContact O-CG1 3.4Å; K313-I317 PolarHBondContact O-N 2.88Å; I317-H319 VanDerWaalsContact C-N 3.31Å; I317-H319 PolarHBondContact O-CD2 3.1Å; I317-H319 PolarHBondContact O-N 3.48Å; I317-V358 HydrophobicContact CB-CG1 4.09Å; I317-V358 HydrophobicContact CG2-CB 4.22Å; I317-V358 HydrophobicContact CG2-CG1 3.89Å; I317-V358 HydrophobicContact CG2-CG2 4.31Å
318G93Very high85.7Confident4 Ų457 Ų574%0.04129%0.293CS..Hα-helixtrans-76.7-10-178.400000115.6Y277 L314 E316 E320 K355Y277-G318 WeakPolarHBondContact OH-CA 3.48Å; L314-G318 WeakPolarHBondContact O-CA 3.43Å; L314-G318 PolarHBondContact O-N 3.01Å; E316-G318 VanDerWaalsContact C-N 3.32Å; E316-G318 PolarHBondContact O-N 2.75Å; G318-E320 VanDerWaalsContact C-N 3.31Å; G318-E320 PolarHBondContact O-N 3.42Å; G318-K355 PolarHBondContact O-NZ 3.42Å
319H91.9Very high86.7Confident103 Ų10354.3 Ų54.348%0.47728%0.279SS..THydrogen-bonded Turntrans48.251.5-167.4-59.6-86.6000112.4R315 E316 I317 Y321 K440R315-H319 WeakPolarHBondContact O-CA 3.27Å; R315-H319 PolarHBondContact O-N 2.7Å; E316-H319 PolarHBondContact O-N 3.24Å; I317-H319 VanDerWaalsContact C-N 3.31Å; I317-H319 PolarHBondContact O-CD2 3.1Å; I317-H319 PolarHBondContact O-N 3.48Å; H319-Y321 VanDerWaalsContact C-N 3.27Å; H319-Y321 PolarHBondContact O-N 3.39Å; H319-K440 PolarHBondContact CD2-NZ 3.49Å; H319-K440 PolarHBondContact NE2-NZ 3.09Å
320E92.1Very high87.2Confident0 Ų051.9 Ų51.90%027%0.265CS..  trans-83.573.1-171.6-64.2-65.7174.800112.3K275 Y277 T279 R315 G318 R329 K355K275-E320 VanDerWaalsContact NZ-CD 3.25Å; K275-E320 IonicContact NZ-OE1 2.8Å; K275-E320 PolarHBondContact NZ-OE1 3.4Å; K275-E320 IonicContact NZ-OE2 2.65Å; K275-E320 PolarHBondContact NZ-OE2 2.86Å; K275-E320 VanDerWaalsContact NZ-OE2 3.12Å; Y277-E320 HydrophobicContact CE2-CG 4.03Å; Y277-E320 VanDerWaalsContact OH-CG 3.27Å; Y277-E320 WeakPolarHBondContact OH-CG 3.49Å; Y277-E320 PolarHBondContact OH-OE1 3.07Å; T279-E320 HydrophobicContact CG2-CB 4.24Å; T279-E320 HydrophobicContact CG2-CG 3.78Å; R315-E320 HydrophobicContact CG-CB 4.12Å; R315-E320 PolarHBondContact O-N 3.44Å; G318-E320 VanDerWaalsContact C-N 3.31Å; G318-E320 PolarHBondContact O-N 3.42Å; E320-R329 HydrophobicContact CB-CB 4.05Å; E320-R329 WeakPolarHBondContact O-CB 3.17Å; E320-R329 PolarHBondContact O-N 3.38Å; E320-R329 WeakPolarHBondContact OE2-CD 3.35Å; E320-R329 IonicContact OE2-CZ 3.6Å; E320-R329 IonicContact OE2-NE 2.91Å; E320-R329 IonicContact OE2-NH1 3.28Å; E320-R329 PolarHBondContact OE2-NH1 3.49Å; E320-K355 WeakPolarHBondContact OE1-CD 3.5Å; E320-K355 WeakPolarHBondContact OE1-CE 3Å; E320-K355 IonicContact OE1-NZ 3.57Å; E320-K355 PolarHBondContact OE1-NZ 3.16Å; E320-K355 IonicContact OE2-NZ 2.86Å
321Y88.3Confident87.5Confident84 Ų8451.4 Ų51.433%0.32926%0.263SS..BIsolated β-bridgetrans-122.5139.7176-60.1-89.1000109.6R315 E316 H319 V323 R327 P328 R329R315-Y321 HydrophobicContact CG-CE2 4.38Å; E316-Y321 PolarHBondContact OE1-OH 3.45Å; E316-Y321 PolarHBondContact OE2-OH 3.44Å; H319-Y321 VanDerWaalsContact C-N 3.27Å; H319-Y321 PolarHBondContact O-N 3.39Å; Y321-V323 PolarHBondContact O-N 3.23Å; Y321-R327 WeakPolarHBondContact CA-O 3.36Å; Y321-P328 HydrophobicContact CD1-CB 4.14Å; Y321-P328 HydrophobicContact CE1-CB 4.04Å; Y321-R329 PolarHBondContact O-NH1 2.92Å
322G79.1Confident87.7Confident7 Ų751.3 Ų51.37%0.07226%0.261CS..  trans-66.7123.4-178.300000111.6T324 T325 G326 R327G322-T324 VanDerWaalsContact C-N 3.31Å; G322-T324 PolarHBondContact O-N 2.99Å; G322-T325 PolarHBondContact O-N 2.75Å; G322-G326 VanDerWaalsContact O-CA 3.25Å; G322-G326 WeakPolarHBondContact O-CA 3.17Å; G322-G326 PolarHBondContact O-N 2.79Å; G322-R327 PolarHBondContact N-O 3.3Å
323V72.3Confident88.1Confident83 Ų8347.1 Ų47.150%0.50324%0.243SC..THydrogen-bonded Turntrans-58.6-41.2-177.6-179.50000112.4Y321Y321-V323 PolarHBondContact O-N 3.23Å
324T70.1Confident88.3Confident44 Ų4443.5 Ų43.527%0.2723%0.227SC..THydrogen-bonded Turntrans-83.8-29.9-176.4-46.10000113.6H59 G322H59-T324 PolarHBondContact NE2-OG1 2.94Å; G322-T324 VanDerWaalsContact C-N 3.31Å; G322-T324 PolarHBondContact O-N 2.99Å
325T72.9Confident88.5Confident57 Ų5743.5 Ų43.535%0.3523%0.227SC..THydrogen-bonded Turntrans-115.3-13.9-171.363.60000114.4G322 R327G322-T325 PolarHBondContact O-N 2.75Å; T325-R327 PolarHBondContact O-N 2.66Å; T325-R327 VanDerWaalsContact O-N 3.13Å; T325-R327 PolarHBondContact OG1-N 3.11Å; T325-R327 PolarHBondContact OG1-NE 2.86Å
326G79Confident88.7Confident52 Ų5240.6 Ų40.654%0.53622%0.216SC..  trans70.5-6.9-172.700000115.2G322G322-G326 VanDerWaalsContact O-CA 3.25Å; G322-G326 WeakPolarHBondContact O-CA 3.17Å; G322-G326 PolarHBondContact O-N 2.79Å
327R82.5Confident88.9Confident103 Ų10337.1 Ų37.139%0.38920%0.2SC..PPolyproline II helixtrans-64.5140.2-176.1-67.3-174.1-73.9-178.5-3.8111.5Y321 G322 T325 R329Y321-R327 WeakPolarHBondContact CA-O 3.36Å; G322-R327 PolarHBondContact N-O 3.3Å; T325-R327 PolarHBondContact O-N 2.66Å; T325-R327 VanDerWaalsContact O-N 3.13Å; T325-R327 PolarHBondContact OG1-N 3.11Å; T325-R327 PolarHBondContact OG1-NE 2.86Å; R327-R329 PolarHBondContact O-N 3.41Å
328P88.4Confident89.1Confident79 Ų7934.4 Ų34.451%0.51319%0.186SC..BIsolated β-bridgetrans-61.9134.5172.226.9-33.6000109.6Y321Y321-P328 HydrophobicContact CD1-CB 4.14Å; Y321-P328 HydrophobicContact CE1-CB 4.04Å
329R90.9Very high89.3Confident31 Ų3134.2 Ų34.212%0.11718%0.184CC..PPolyproline II helixtrans-76.2148.1172.1-67.9165.7170.9145.97.4109.5D19 V281 R315 E320 Y321 R327D19-R329 WeakPolarHBondContact OD2-CD 3.25Å; D19-R329 IonicContact OD2-CZ 3.3Å; D19-R329 IonicContact OD2-NE 3.35Å; D19-R329 PolarHBondContact OD2-NE 3.32Å; D19-R329 VanDerWaalsContact OD2-NE 3.1Å; V281-R329 HydrophobicContact CG2-CG 3.77Å; R315-R329 PolarHBondContact NE-O 3.45Å; R315-R329 PolarHBondContact NH2-O 3.43Å; E320-R329 HydrophobicContact CB-CB 4.05Å; E320-R329 WeakPolarHBondContact O-CB 3.17Å; E320-R329 PolarHBondContact O-N 3.38Å; E320-R329 WeakPolarHBondContact OE2-CD 3.35Å; E320-R329 IonicContact OE2-CZ 3.6Å; E320-R329 IonicContact OE2-NE 2.91Å; E320-R329 IonicContact OE2-NH1 3.28Å; E320-R329 PolarHBondContact OE2-NH1 3.49Å; Y321-R329 PolarHBondContact O-NH1 2.92Å; R327-R329 PolarHBondContact O-N 3.41Å
330R92.3Very high89.6Confident45 Ų4533.3 Ų33.317%0.1718%0.179CC..EExtended strand (participates in β ladder)trans-70.1141.5165.5-62.5162.866.1-166.24.1107.1T279 R280 G282 G284 F286 E289T279-R330 CarbonylContact C-O 3.49Å; T279-R330 WeakPolarHBondContact CA-O 3.31Å; T279-R330 WeakPolarHBondContact CB-O 3.38Å; R280-R330 PolarHBondContact N-O 3.42Å; R280-R330 PolarHBondContact O-N 3.2Å; G282-R330 WeakPolarHBondContact O-CD 3.5Å; G282-R330 PolarHBondContact O-NH1 3.08Å; G284-R330 VanDerWaalsContact O-CZ 3.32Å; G284-R330 PolarHBondContact O-NH1 3.5Å; G284-R330 PolarHBondContact O-NH2 2.85Å; F286-R330 HydrophobicContact CD1-CB 3.81Å; F286-R330 HydrophobicContact CE1-CB 3.9Å; E289-R330 HydrophobicContact CG-CB 4.42Å; E289-R330 WeakPolarHBondContact OE1-CB 3.38Å; E289-R330 WeakPolarHBondContact OE1-CG 3.31Å; E289-R330 IonicContact OE1-CZ 3.89Å; E289-R330 IonicContact OE1-NE 3.04Å; E289-R330 PolarHBondContact OE1-NE 2.84Å; E289-R330 IonicContact OE1-NH2 3.87Å; E289-R330 IonicContact OE2-CZ 3.71Å; E289-R330 VanDerWaalsContact OE2-CZ 3.26Å; E289-R330 IonicContact OE2-NE 3.94Å; E289-R330 PolarHBondContact OE2-NE 3.13Å; E289-R330 VanDerWaalsContact OE2-NE 3.1Å; E289-R330 IonicContact OE2-NH2 2.65Å; E289-R330 PolarHBondContact OE2-NH2 2.84Å
331C95Very high89.9Confident3 Ų336.2 Ų36.22%0.0219%0.19CC..EExtended strand (participates in β ladder)trans-124.3141.1-177.3-65.30000109.3E278 L290 L314E278-C331 WeakPolarHBondContact O-CA 3.42Å; L290-C331 PolarHBondContact N-O 2.87Å; L314-C331 HydrophobicContact CB-CB 4.14Å; L314-C331 HydrophobicContact CD1-CB 4.49Å
332G95.4Very high90.4Very high0 Ų032.2 Ų32.20%017%0.174CC..EExtended strand (participates in β ladder)trans-149.6167.2-178.800000111.4Y277 E278 T288Y277-G332 WeakPolarHBondContact CB-O 3.3Å; E278-G332 PolarHBondContact N-O 3.43Å; E278-G332 PolarHBondContact O-N 2.84Å; T288-G332 CarbonylContact O-C 3.47Å; T288-G332 WeakPolarHBondContact O-CA 3.45Å
333W97Very high91.3Very high12 Ų1233.3 Ų33.35%0.04518%0.178CC..  trans-69.1154.9171-71.7126.4000111.5E278 T288 L290 T310 L314 D335 L359 F362 I365 K366 Y395E278-W333 WeakPolarHBondContact CG-O 3.11Å; T288-W333 WeakPolarHBondContact CB-O 3.32Å; T288-W333 PolarHBondContact O-N 2.59Å; T288-W333 VanDerWaalsContact O-N 3.13Å; T288-W333 PolarHBondContact OG1-O 2.77Å; L290-W333 HydrophobicContact CD1-CD2 4.1Å; L290-W333 HydrophobicContact CD1-CG 4.24Å; L290-W333 HydrophobicContact CD1-CZ2 4.35Å; T310-W333 HydrophobicContact CG2-CH2 3.9Å; T310-W333 HydrophobicContact CG2-CZ2 3.4Å; T310-W333 VanDerWaalsContact CG2-CZ2 3.4Å; L314-W333 HydrophobicContact CD1-CZ3 4.4Å; W333-D335 PolarHBondContact O-N 3.01Å; W333-L359 HydrophobicContact CZ3-CD2 4.25Å; W333-F362 AromaticContact CH2-CD1 3.69Å; W333-F362 HydrophobicContact CH2-CD1 3.69Å; W333-F362 AromaticContact CH2-CE1 3.76Å; W333-F362 HydrophobicContact CH2-CE1 3.76Å; W333-F362 HydrophobicContact CH2-CG 4.41Å; W333-I365 HydrophobicContact CE3-CG2 4.15Å; W333-I365 HydrophobicContact CZ3-CG2 3.92Å; W333-K366 WeakPolarHBondContact CB-O 3.25Å; W333-K366 HydrophobicContact CD2-CB 4.16Å; W333-K366 HydrophobicContact CG-CB 3.9Å; W333-Y395 HydrophobicContact CB-CE1 3.99Å; W333-Y395 AromaticContact CD1-CE1 3.99Å; W333-Y395 HydrophobicContact CG-CE1 4.35Å
334L98.3Very high92.5Very high0 Ų033.4 Ų33.40%019%0.188CC..EExtended strand (participates in β ladder)trans-55131176.9177.561.5000110.9V274 I336 G368 I425V274-L334 HydrophobicContact CG1-CD1 3.93Å; L334-I336 HydrophobicContact CD2-CD1 3.97Å; L334-I336 HydrophobicContact CD2-CG1 4.45Å; L334-I336 HydrophobicContact CG-CD1 4.3Å; L334-I336 HydrophobicContact CG-CG1 4.47Å; L334-G368 PolarHBondContact O-N 3.07Å; L334-I425 HydrophobicContact CD2-CD1 3.46Å; L334-I425 VanDerWaalsContact CD2-CD1 3.46Å; L334-I425 HydrophobicContact CD2-CG1 3.66Å
335D97.9Very high93.8Very high0 Ų033.4 Ų33.40%019%0.188CC..EExtended strand (participates in β ladder)trans-104.895.6178.9-160.2-49.2000110.8E278 T288 W333 F337 L338 L339 Y371E278-D335 HydrophobicContact CG-CB 4.19Å; E278-D335 WeakPolarHBondContact OE1-CB 3.29Å; T288-D335 HydrophobicContact CG2-CB 3.85Å; T288-D335 VanDerWaalsContact CG2-OD2 3.23Å; T288-D335 WeakPolarHBondContact CG2-OD2 3.41Å; W333-D335 PolarHBondContact O-N 3.01Å; D335-F337 VanDerWaalsContact C-N 3.27Å; D335-F337 PolarHBondContact O-N 2.94Å; D335-F337 WeakPolarHBondContact OD1-CB 3.37Å; D335-F337 PolarHBondContact OD1-N 3.1Å; D335-F337 VanDerWaalsContact OD1-N 3.09Å; D335-L338 HydrophobicContact CB-CB 4.26Å; D335-L338 HydrophobicContact CB-CD1 4.27Å; D335-L338 HydrophobicContact CB-CG 4.43Å; D335-L338 PolarHBondContact O-N 3.25Å; D335-L338 PolarHBondContact OD1-N 3.41Å; D335-L339 WeakPolarHBondContact O-CB 3.23Å; D335-L339 PolarHBondContact O-N 3.48Å; D335-Y371 PolarHBondContact OD1-OH 2.81Å; D335-Y371 WeakPolarHBondContact OD2-CE1 3.32Å; D335-Y371 VanDerWaalsContact OD2-CZ 3.28Å; D335-Y371 PolarHBondContact OD2-OH 3.48Å
336I98.2Very high95Very high0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-68.5-30.5178.1-72.8-64.9000111.5L334 L338 L339 K340 I367 G368 I425 L428 V429L334-I336 HydrophobicContact CD2-CD1 3.97Å; L334-I336 HydrophobicContact CD2-CG1 4.45Å; L334-I336 HydrophobicContact CG-CD1 4.3Å; L334-I336 HydrophobicContact CG-CG1 4.47Å; I336-L338 VanDerWaalsContact C-N 3.35Å; I336-L339 HydrophobicContact CD1-CD2 4.13Å; I336-L339 PolarHBondContact O-N 2.85Å; I336-K340 HydrophobicContact CG2-CD 4.13Å; I336-K340 HydrophobicContact CG2-CG 4.28Å; I336-K340 WeakPolarHBondContact O-CB 3.36Å; I336-K340 VanDerWaalsContact O-CG 3.29Å; I336-K340 WeakPolarHBondContact O-CG 3.43Å; I336-K340 PolarHBondContact O-N 3.35Å; I336-I367 HydrophobicContact CB-CG2 4.03Å; I336-I367 HydrophobicContact CD1-CG2 4.3Å; I336-I367 HydrophobicContact CG1-CG2 3.18Å; I336-G368 WeakPolarHBondContact CB-O 3.45Å; I336-G368 PolarHBondContact N-O 3.1Å; I336-I425 HydrophobicContact CD1-CB 4.44Å; I336-I425 HydrophobicContact CD1-CG1 4.29Å; I336-I425 HydrophobicContact CD1-CG2 3.99Å; I336-L428 HydrophobicContact CB-CD1 4.48Å; I336-L428 HydrophobicContact CD1-CB 4.41Å; I336-L428 HydrophobicContact CD1-CD1 4.48Å; I336-L428 HydrophobicContact CG1-CB 4.49Å; I336-L428 HydrophobicContact CG1-CD1 3.95Å; I336-L428 HydrophobicContact CG2-CB 3.71Å; I336-L428 HydrophobicContact CG2-CD1 4.1Å; I336-L428 HydrophobicContact CG2-CG 4.34Å; I336-V429 HydrophobicContact CD1-CG2 3.86Å
337F97.8Very high95.9Very high12 Ų1230.6 Ų30.65%0.05317%0.168CC..Hα-helixtrans-64-43.9179.2-171.6-90.6000110.5D335 Y341 G368 Y371 I378 Q379 P381D335-F337 VanDerWaalsContact C-N 3.27Å; D335-F337 PolarHBondContact O-N 2.94Å; D335-F337 WeakPolarHBondContact OD1-CB 3.37Å; D335-F337 PolarHBondContact OD1-N 3.1Å; D335-F337 VanDerWaalsContact OD1-N 3.09Å; F337-Y341 PolarHBondContact O-N 2.84Å; F337-G368 PolarHBondContact N-O 3.21Å; F337-Y371 HydrophobicContact CB-CE1 4.35Å; F337-Y371 HydrophobicContact CB-CE2 4.48Å; F337-Y371 AromaticContact CD1-CD2 3.33Å; F337-Y371 HydrophobicContact CD1-CD2 3.33Å; F337-Y371 HydrophobicContact CD1-CE1 4.47Å; F337-Y371 AromaticContact CD1-CE2 3.25Å; F337-Y371 HydrophobicContact CD1-CE2 3.25Å; F337-Y371 HydrophobicContact CD1-CG 4.02Å; F337-Y371 AromaticContact CD1-CZ 3.88Å; F337-Y371 AromaticContact CE1-CD2 3.34Å; F337-Y371 HydrophobicContact CE1-CD2 3.34Å; F337-Y371 AromaticContact CE1-CE2 3.64Å; F337-Y371 HydrophobicContact CE1-CE2 3.64Å; F337-Y371 HydrophobicContact CE1-CG 4.16Å; F337-Y371 HydrophobicContact CG-CD2 4.09Å; F337-Y371 HydrophobicContact CG-CE2 4.13Å; F337-Y371 HydrophobicContact CG-CG 4.34Å; F337-Y371 HydrophobicContact CZ-CD2 4.11Å; F337-I378 WeakPolarHBondContact CE2-O 3.42Å; F337-I378 HydrophobicContact CZ-CG1 4.34Å; F337-Q379 VanDerWaalsContact CZ-C 3.42Å; F337-Q379 VanDerWaalsContact CZ-O 3.31Å; F337-Q379 WeakPolarHBondContact CZ-O 3.19Å; F337-P381 HydrophobicContact CE1-CB 4.34Å
338L97.7Very high96.7Very high4 Ų426.1 Ų26.12%0.02115%0.152CC..Hα-helixtrans-72.1-35.2172.4-66175.1000113.3W17 L235 D335 I336 K340 Y341 S342 Y371 P381 F388W17-L338 HydrophobicContact CZ2-CD1 4.14Å; L235-L338 HydrophobicContact CD1-CB 3.93Å; L235-L338 HydrophobicContact CD1-CD1 3.98Å; L235-L338 HydrophobicContact CD1-CG 4.47Å; L235-L338 HydrophobicContact CD2-CB 4.28Å; L235-L338 HydrophobicContact CD2-CD2 4.43Å; D335-L338 HydrophobicContact CB-CB 4.26Å; D335-L338 HydrophobicContact CB-CD1 4.27Å; D335-L338 HydrophobicContact CB-CG 4.43Å; D335-L338 PolarHBondContact O-N 3.25Å; D335-L338 PolarHBondContact OD1-N 3.41Å; I336-L338 VanDerWaalsContact C-N 3.35Å; L338-K340 VanDerWaalsContact C-N 3.32Å; L338-K340 PolarHBondContact O-N 2.84Å; L338-Y341 WeakPolarHBondContact O-CB 3.31Å; L338-Y341 PolarHBondContact O-N 2.88Å; L338-S342 PolarHBondContact O-N 3.09Å; L338-S342 PolarHBondContact O-OG 3.48Å; L338-Y371 VanDerWaalsContact CD1-OH 3.29Å; L338-Y371 WeakPolarHBondContact CD1-OH 3.49Å; L338-Y371 HydrophobicContact CD2-CE2 4.4Å; L338-Y371 HydrophobicContact CG-CE2 4.49Å; L338-Y371 VanDerWaalsContact CG-OH 3.22Å; L338-Y371 WeakPolarHBondContact CG-OH 3.28Å; L338-P381 HydrophobicContact CD2-CB 3.9Å; L338-P381 HydrophobicContact CD2-CG 4.29Å; L338-F388 HydrophobicContact CD1-CZ 4.08Å; L338-F388 HydrophobicContact CD2-CZ 3.81Å; L338-F388 HydrophobicContact CG-CZ 4.47Å
339L98.5Very high97.1Very high0 Ų024.9 Ų24.90%014%0.143CC..Hα-helixtrans-63.8-38.5176-177.553.1000112S15 V274 D335 I336 S342 N343 L351 I425 V429S15-L339 WeakPolarHBondContact OG-CD1 3.39Å; V274-L339 HydrophobicContact CG1-CD2 3.84Å; V274-L339 HydrophobicContact CG2-CD1 3.7Å; V274-L339 HydrophobicContact CG2-CD2 3.83Å; V274-L339 HydrophobicContact CG2-CG 4.45Å; D335-L339 WeakPolarHBondContact O-CB 3.23Å; D335-L339 PolarHBondContact O-N 3.48Å; I336-L339 HydrophobicContact CD1-CD2 4.13Å; I336-L339 PolarHBondContact O-N 2.85Å; L339-S342 PolarHBondContact O-N 2.97Å; L339-N343 WeakPolarHBondContact O-CB 3.35Å; L339-N343 PolarHBondContact O-N 2.97Å; L339-L351 HydrophobicContact CD2-CD1 4.5Å; L339-I425 HydrophobicContact CD2-CG2 4.31Å; L339-V429 HydrophobicContact CB-CG2 4.5Å; L339-V429 HydrophobicContact CD2-CG2 3.63Å; L339-V429 HydrophobicContact CG-CG1 4.35Å; L339-V429 HydrophobicContact CG-CG2 3.83Å
340K98.4Very high97.4Very high84 Ų8426 Ų2637%0.36515%0.149SC..Hα-helixtrans-61.1-44.6171.6-78.2173.7171.4-177.90111.7I336 L338 N343 A344 L428I336-K340 HydrophobicContact CG2-CD 4.13Å; I336-K340 HydrophobicContact CG2-CG 4.28Å; I336-K340 WeakPolarHBondContact O-CB 3.36Å; I336-K340 VanDerWaalsContact O-CG 3.29Å; I336-K340 WeakPolarHBondContact O-CG 3.43Å; I336-K340 PolarHBondContact O-N 3.35Å; L338-K340 VanDerWaalsContact C-N 3.32Å; L338-K340 PolarHBondContact O-N 2.84Å; K340-N343 WeakPolarHBondContact O-CB 3.42Å; K340-N343 PolarHBondContact O-N 3.4Å; K340-A344 PolarHBondContact O-N 2.94Å; K340-L428 WeakPolarHBondContact CE-O 3.39Å; K340-L428 PolarHBondContact NZ-O 2.86Å
341Y97.9Very high97.7Very high60 Ų6023.9 Ų23.924%0.23514%0.141CC..Hα-helixtrans-60.1-48175.4174-98.8000111.4L235 F240 F337 L338 N343 A344 V345 P381L235-Y341 HydrophobicContact CD2-CD1 4.22Å; F240-Y341 HydrophobicContact CB-CE1 4.19Å; F240-Y341 VanDerWaalsContact O-CE1 3.27Å; F240-Y341 WeakPolarHBondContact O-CE1 3.11Å; F240-Y341 PolarHBondContact O-OH 3.41Å; F337-Y341 PolarHBondContact O-N 2.84Å; L338-Y341 WeakPolarHBondContact O-CB 3.31Å; L338-Y341 PolarHBondContact O-N 2.88Å; Y341-N343 VanDerWaalsContact C-N 3.27Å; Y341-N343 PolarHBondContact O-N 2.49Å; Y341-A344 WeakPolarHBondContact O-CB 3.34Å; Y341-A344 PolarHBondContact O-N 3.27Å; Y341-A344 VanDerWaalsContact O-N 3.1Å; Y341-V345 HydrophobicContact CE1-CG2 4.15Å; Y341-V345 HydrophobicContact CE2-CG2 4.36Å; Y341-V345 WeakPolarHBondContact O-CG2 3.24Å; Y341-V345 PolarHBondContact O-N 2.92Å; Y341-P381 HydrophobicContact CD1-CG 4.25Å; Y341-P381 HydrophobicContact CD2-CG 3.71Å; Y341-P381 HydrophobicContact CE2-CG 4.06Å; Y341-P381 HydrophobicContact CG-CG 3.81Å
342S98.3Very high97.8Very high0 Ų023.8 Ų23.80%014%0.14CC..Hα-helixtrans-60.1-36.8174.8-70.70000112.6S15 L235 L338 L339 V345 N346S15-S342 WeakPolarHBondContact O-CB 3.44Å; S15-S342 PolarHBondContact O-OG 3.49Å; L235-S342 WeakPolarHBondContact CD2-OG 3.48Å; L338-S342 PolarHBondContact O-N 3.09Å; L338-S342 PolarHBondContact O-OG 3.48Å; L339-S342 PolarHBondContact O-N 2.97Å; S342-V345 PolarHBondContact O-N 3.31Å; S342-N346 WeakPolarHBondContact O-CB 3.46Å; S342-N346 PolarHBondContact O-N 2.99Å; S342-N346 VanDerWaalsContact O-N 3.14Å; S342-N346 PolarHBondContact O-ND2 2.65Å
343N98.5Very high98Very high30 Ų3023.9 Ų23.916%0.1614%0.14CC..Hα-helixtrans-66.6-41.4173.8-173.839.8000112L339 K340 Y341 V345 N346 G347 F348 V429 V431L339-N343 WeakPolarHBondContact O-CB 3.35Å; L339-N343 PolarHBondContact O-N 2.97Å; K340-N343 WeakPolarHBondContact O-CB 3.42Å; K340-N343 PolarHBondContact O-N 3.4Å; Y341-N343 VanDerWaalsContact C-N 3.27Å; Y341-N343 PolarHBondContact O-N 2.49Å; N343-V345 VanDerWaalsContact C-N 3.28Å; N343-V345 PolarHBondContact O-N 2.84Å; N343-N346 PolarHBondContact O-N 3.16Å; N343-G347 WeakPolarHBondContact O-CA 3.38Å; N343-G347 PolarHBondContact O-N 3.42Å; N343-F348 HydrophobicContact CB-CD2 3.9Å; N343-F348 HydrophobicContact CB-CE2 4.45Å; N343-F348 WeakPolarHBondContact OD1-CB 3.44Å; N343-F348 PolarHBondContact OD1-N 3.37Å; N343-V429 HydrophobicContact CB-CG1 4.14Å; N343-V431 VanDerWaalsContact ND2-CG2 3.29Å; N343-V431 WeakPolarHBondContact ND2-CG2 2.99Å
344A97.9Very high97.9Very high86 Ų8624 Ų2471%0.71114%0.142SC*.Hα-helixtrans-61.6-36.917700000112.2K340 Y341K340-A344 PolarHBondContact O-N 2.94Å; Y341-A344 WeakPolarHBondContact O-CB 3.34Å; Y341-A344 PolarHBondContact O-N 3.27Å; Y341-A344 VanDerWaalsContact O-N 3.1Å
345V97.8Very high97.8Very high44 Ų4426.5 Ų26.527%0.26715%0.153SC..Hα-helixtrans-71-38.7177.5172.50000112.5T234 F240 Y341 S342 N343T234-V345 HydrophobicContact CG2-CG1 4.35Å; F240-V345 HydrophobicContact CB-CG2 4.4Å; F240-V345 HydrophobicContact CD1-CG2 4.31Å; F240-V345 HydrophobicContact CD2-CG1 3.58Å; F240-V345 HydrophobicContact CE2-CG1 3.82Å; F240-V345 HydrophobicContact CG-CG1 3.99Å; F240-V345 HydrophobicContact CG-CG2 4.18Å; F240-V345 HydrophobicContact CZ-CG1 4.42Å; Y341-V345 HydrophobicContact CE1-CG2 4.15Å; Y341-V345 HydrophobicContact CE2-CG2 4.36Å; Y341-V345 WeakPolarHBondContact O-CG2 3.24Å; Y341-V345 PolarHBondContact O-N 2.92Å; S342-V345 PolarHBondContact O-N 3.31Å; N343-V345 VanDerWaalsContact C-N 3.28Å; N343-V345 PolarHBondContact O-N 2.84Å
346N98.4Very high97.8Very high8 Ų826.5 Ų26.54%0.04315%0.153CC..Hα-helixtrans-106-24-169-66.7-70.8000114.8L13 T234 S252 V253 I270 S342 N343 F348L13-N346 WeakPolarHBondContact CD1-OD1 3.44Å; T234-N346 WeakPolarHBondContact CG2-ND2 3.31Å; T234-N346 PolarHBondContact OG1-ND2 3.17Å; S252-N346 WeakPolarHBondContact CA-OD1 3.33Å; S252-N346 WeakPolarHBondContact CB-OD1 3.45Å; V253-N346 HydrophobicContact CG2-CB 3.97Å; V253-N346 PolarHBondContact N-OD1 3.16Å; I270-N346 WeakPolarHBondContact CD1-O 3.41Å; I270-N346 HydrophobicContact CG2-CB 4.45Å; S342-N346 WeakPolarHBondContact O-CB 3.46Å; S342-N346 PolarHBondContact O-N 2.99Å; S342-N346 VanDerWaalsContact O-N 3.14Å; S342-N346 PolarHBondContact O-ND2 2.65Å; N343-N346 PolarHBondContact O-N 3.16Å; N346-F348 HydrophobicContact CB-CD1 4.09Å; N346-F348 HydrophobicContact CB-CE1 3.67Å; N346-F348 HydrophobicContact CB-CE2 4.41Å; N346-F348 HydrophobicContact CB-CZ 3.85Å
347G97.8Very high97.7Very high41 Ų4128 Ų2842%0.42316%0.161SC..  trans61.459.5-171.600000112.2N343 T349N343-G347 WeakPolarHBondContact O-CA 3.38Å; N343-G347 PolarHBondContact O-N 3.42Å; G347-T349 PolarHBondContact O-N 2.82Å
348F98.4Very high97.6Very high10 Ų1027.6 Ų27.64%0.04416%0.16CC..  trans-59.8126.9-179.6-62.9-54.3000110.2L13 I270 G272 N343 N346 L351 V431L13-F348 HydrophobicContact CB-CE1 4.37Å; I270-F348 HydrophobicContact CG2-CD1 3.86Å; I270-F348 HydrophobicContact CG2-CE1 4.32Å; I270-F348 CarbonylContact O-C 3.59Å; I270-F348 WeakPolarHBondContact O-CA 3.29Å; G272-F348 VanDerWaalsContact CA-CD1 3.46Å; G272-F348 VanDerWaalsContact CA-CE1 3.44Å; N343-F348 HydrophobicContact CB-CD2 3.9Å; N343-F348 HydrophobicContact CB-CE2 4.45Å; N343-F348 WeakPolarHBondContact OD1-CB 3.44Å; N343-F348 PolarHBondContact OD1-N 3.37Å; N346-F348 HydrophobicContact CB-CD1 4.09Å; N346-F348 HydrophobicContact CB-CE1 3.67Å; N346-F348 HydrophobicContact CB-CE2 4.41Å; N346-F348 HydrophobicContact CB-CZ 3.85Å; F348-L351 HydrophobicContact CB-CD2 4.02Å; F348-L351 HydrophobicContact CD2-CD2 3.89Å; F348-L351 HydrophobicContact CG-CD2 4.03Å; F348-V431 HydrophobicContact CB-CG1 4.08Å; F348-V431 WeakPolarHBondContact O-CG1 3.31Å
349T97Very high97.7Very high53 Ų5327.4 Ų27.433%0.32516%0.159SC..SBendtrans-82.6-31.1173.161.60000110.9D269 I270 G347 P432D269-T349 WeakPolarHBondContact CA-OG1 3.5Å; D269-T349 PolarHBondContact OD1-OG1 2.8Å; I270-T349 PolarHBondContact N-OG1 3.2Å; I270-T349 PolarHBondContact O-N 3.18Å; I270-T349 PolarHBondContact O-OG1 3.06Å; G347-T349 PolarHBondContact O-N 2.82Å; T349-P432 WeakPolarHBondContact O-CG 3.35Å
350K97.1Very high97.6Very high55 Ų5528 Ų2824%0.23916%0.162CC..EExtended strand (participates in β ladder)trans-147.7152-179.2-53.6-172.3179.194.30110D269 I270 I271 G272 P432 L434 W435D269-K350 IonicContact OD1-NZ 3.77Å; D269-K350 PolarHBondContact OD1-NZ 2.85Å; D269-K350 IonicContact OD2-NZ 2.75Å; I270-K350 PolarHBondContact O-N 3.08Å; I271-K350 VanDerWaalsContact CA-O 3.31Å; I271-K350 WeakPolarHBondContact CA-O 3.39Å; G272-K350 PolarHBondContact N-O 3.21Å; K350-P432 CarbonylContact C-O 3.54Å; K350-P432 WeakPolarHBondContact CA-O 3.44Å; K350-L434 HydrophobicContact CD-CB 4.23Å; K350-L434 HydrophobicContact CD-CD2 3.62Å; K350-L434 HydrophobicContact CD-CG 4.37Å; K350-W435 HydrophobicContact CB-CZ3 4.47Å
351L98.3Very high97.5Very high0 Ų027.4 Ų27.40%017%0.165CC..EExtended strand (participates in β ladder)trans-110.6151.5170.6-61.5177.8000110.6G272 V274 L339 F348 V429 V431 P432 I433 L434G272-L351 CarbonylContact O-C 3.52Å; G272-L351 VanDerWaalsContact O-CA 3.28Å; G272-L351 WeakPolarHBondContact O-CA 3.38Å; V274-L351 HydrophobicContact CG2-CB 4.4Å; V274-L351 HydrophobicContact CG2-CD1 4.2Å; V274-L351 HydrophobicContact CG2-CD2 3.9Å; V274-L351 HydrophobicContact CG2-CG 4.37Å; L339-L351 HydrophobicContact CD2-CD1 4.5Å; F348-L351 HydrophobicContact CB-CD2 4.02Å; F348-L351 HydrophobicContact CD2-CD2 3.89Å; F348-L351 HydrophobicContact CG-CD2 4.03Å; L351-V429 HydrophobicContact CD1-CG1 4.26Å; L351-V431 HydrophobicContact CD1-CB 4.15Å; L351-V431 HydrophobicContact CD1-CG1 4.32Å; L351-V431 HydrophobicContact CD2-CG1 4.28Å; L351-V431 HydrophobicContact CG-CB 4.11Å; L351-V431 HydrophobicContact CG-CG1 3.73Å; L351-P432 PolarHBondContact N-O 3.41Å; L351-I433 HydrophobicContact CB-CG1 3.8Å; L351-I433 HydrophobicContact CD1-CG1 4.22Å; L351-I433 WeakPolarHBondContact O-CA 3.4Å; L351-L434 PolarHBondContact O-N 2.86Å
352A97.7Very high97.4Very high1 Ų125.2 Ų25.21%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-118.1116.616300000108.6V25 G272 I273 V274 W435V25-A352 HydrophobicContact CG1-CB 4.31Å; V25-A352 HydrophobicContact CG2-CB 3.75Å; G272-A352 PolarHBondContact O-N 2.9Å; I273-A352 HydrophobicContact CD1-CB 3.55Å; V274-A352 PolarHBondContact N-O 3.2Å; V274-A352 VanDerWaalsContact O-O 3.11Å; A352-W435 CarbonylContact C-O 3.57Å; A352-W435 WeakPolarHBondContact CA-O 3.48Å; A352-W435 HydrophobicContact CB-CB 3.84Å; A352-W435 HydrophobicContact CB-CE3 4.05Å
353L98.2Very high97.2Very high1 Ų131.5 Ų31.51%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-88.9118.7177.6-169.869000109.3V274 A276 L356 V422 I425 I433 W435 I436 G437V274-L353 HydrophobicContact CB-CD1 4.19Å; V274-L353 HydrophobicContact CG1-CD1 3.91Å; V274-L353 CarbonylContact O-C 3.53Å; V274-L353 VanDerWaalsContact O-CA 3.31Å; V274-L353 WeakPolarHBondContact O-CA 3.45Å; A276-L353 HydrophobicContact CB-CD1 4.18Å; A276-L353 HydrophobicContact CB-CG 4.27Å; L353-L356 HydrophobicContact CD2-CD1 4.08Å; L353-V422 HydrophobicContact CD2-CG2 3.87Å; L353-I425 HydrophobicContact CD1-CD1 3.98Å; L353-I425 HydrophobicContact CD2-CD1 4.08Å; L353-I433 HydrophobicContact CB-CD1 4.33Å; L353-I433 HydrophobicContact CB-CG2 3.8Å; L353-I433 HydrophobicContact CD2-CD1 4.41Å; L353-W435 PolarHBondContact N-O 3.38Å; L353-I436 CarbonylContact O-C 3.55Å; L353-I436 VanDerWaalsContact O-CA 3.29Å; L353-I436 WeakPolarHBondContact O-CA 3.31Å; L353-G437 PolarHBondContact O-N 3.41Å
354T96.1Very high97Very high14 Ų1435.8 Ų35.89%0.08621%0.206CC..EExtended strand (participates in β ladder)trans-107.8157.5-178.872.70000111.4E20 I273 V274 A276 L356E20-T354 WeakPolarHBondContact O-CB 3.11Å; E20-T354 VanDerWaalsContact O-CG2 3.25Å; E20-T354 WeakPolarHBondContact O-CG2 3.45Å; E20-T354 PolarHBondContact O-OG1 3.44Å; I273-T354 HydrophobicContact CG2-CG2 3.67Å; V274-T354 PolarHBondContact O-N 3.37Å; V274-T354 PolarHBondContact O-OG1 2.85Å; A276-T354 WeakPolarHBondContact CB-O 3.27Å; A276-T354 PolarHBondContact N-O 2.86Å; T354-L356 VanDerWaalsContact C-N 3.29Å; T354-L356 PolarHBondContact O-N 2.91Å
355K95.2Very high96.9Very high54 Ų5431.7 Ų31.724%0.23517%0.172CC..  trans57.137175-59.3-162.7171.7-167.40114K275 Y277 G318 E320 D357 V358K275-K355 HydrophobicContact CD-CD 4.23Å; K275-K355 HydrophobicContact CG-CB 4.22Å; K275-K355 HydrophobicContact CG-CD 4.43Å; Y277-K355 HydrophobicContact CE1-CB 4.03Å; Y277-K355 HydrophobicContact CE1-CD 4.38Å; G318-K355 PolarHBondContact O-NZ 3.42Å; E320-K355 WeakPolarHBondContact OE1-CD 3.5Å; E320-K355 WeakPolarHBondContact OE1-CE 3Å; E320-K355 IonicContact OE1-NZ 3.57Å; E320-K355 PolarHBondContact OE1-NZ 3.16Å; E320-K355 IonicContact OE2-NZ 2.86Å; K355-D357 VanDerWaalsContact CA-OD1 3.32Å; K355-D357 WeakPolarHBondContact CA-OD1 3.48Å; K355-D357 PolarHBondContact O-N 2.74Å; K355-V358 HydrophobicContact CB-CG2 3.91Å; K355-V358 HydrophobicContact CD-CG2 4.34Å; K355-V358 WeakPolarHBondContact O-CB 3.4Å; K355-V358 PolarHBondContact O-N 3.43Å
356L98.1Very high96.8Very high0 Ų032.5 Ų32.50%017%0.172CC..G310 helixtrans-63-34.4175.3-174.763.8000110.6A276 L353 T354 V358 L359 W401 I405 L414 Y421 V422 I436 G437A276-L356 HydrophobicContact CB-CB 4.48Å; A276-L356 HydrophobicContact CB-CD1 4.12Å; L353-L356 HydrophobicContact CD2-CD1 4.08Å; T354-L356 VanDerWaalsContact C-N 3.29Å; T354-L356 PolarHBondContact O-N 2.91Å; L356-V358 PolarHBondContact O-N 3.01Å; L356-V358 VanDerWaalsContact O-N 3.11Å; L356-L359 HydrophobicContact CD1-CD1 4.49Å; L356-L359 WeakPolarHBondContact O-CB 3.34Å; L356-L359 PolarHBondContact O-N 3.09Å; L356-W401 HydrophobicContact CD1-CH2 3.57Å; L356-W401 HydrophobicContact CD1-CZ2 3.99Å; L356-W401 HydrophobicContact CG-CH2 4.15Å; L356-W401 HydrophobicContact CG-CZ2 4.06Å; L356-I405 HydrophobicContact CB-CD1 3.87Å; L356-I405 HydrophobicContact CD2-CD1 3.73Å; L356-I405 HydrophobicContact CG-CD1 3.58Å; L356-L414 HydrophobicContact CD2-CD1 4.44Å; L356-Y421 HydrophobicContact CD1-CD1 3.74Å; L356-Y421 HydrophobicContact CD1-CE1 4.14Å; L356-V422 HydrophobicContact CD2-CG2 3.95Å; L356-I436 HydrophobicContact CB-CG2 4.18Å; L356-I436 HydrophobicContact CD2-CG2 3.51Å; L356-I436 HydrophobicContact CG-CG2 4.49Å; L356-G437 WeakPolarHBondContact CB-O 3.41Å; L356-G437 PolarHBondContact N-O 3.37Å
357D96.5Very high96.7Very high32 Ų3232.1 Ų32.117%0.17117%0.17CC..G310 helixtrans-56.9-24177.258.5-63.2000114.1K355 L359 D360 I405 G439K355-D357 VanDerWaalsContact CA-OD1 3.32Å; K355-D357 WeakPolarHBondContact CA-OD1 3.48Å; K355-D357 PolarHBondContact O-N 2.74Å; D357-L359 PolarHBondContact O-N 3.26Å; D357-D360 WeakPolarHBondContact O-CB 3.48Å; D357-D360 PolarHBondContact O-N 2.98Å; D357-I405 HydrophobicContact CB-CD1 4.48Å; D357-I405 HydrophobicContact CB-CG1 4.1Å; D357-G439 PolarHBondContact OD1-N 3.44Å
358V96.8Very high96.7Very high3 Ų330.1 Ų30.12%0.01815%0.149CC..G310 helixtrans-66.9-23.4177.4175.80000111.8Y277 L314 I317 K355 L356 F362Y277-V358 HydrophobicContact CD1-CB 4.39Å; Y277-V358 HydrophobicContact CD1-CG1 4.26Å; Y277-V358 HydrophobicContact CE1-CB 3.67Å; Y277-V358 HydrophobicContact CE1-CG1 3.56Å; Y277-V358 HydrophobicContact CE1-CG2 3.98Å; L314-V358 HydrophobicContact CD2-CG1 3.97Å; I317-V358 HydrophobicContact CB-CG1 4.09Å; I317-V358 HydrophobicContact CG2-CB 4.22Å; I317-V358 HydrophobicContact CG2-CG1 3.89Å; I317-V358 HydrophobicContact CG2-CG2 4.31Å; K355-V358 HydrophobicContact CB-CG2 3.91Å; K355-V358 HydrophobicContact CD-CG2 4.34Å; K355-V358 WeakPolarHBondContact O-CB 3.4Å; K355-V358 PolarHBondContact O-N 3.43Å; L356-V358 PolarHBondContact O-N 3.01Å; L356-V358 VanDerWaalsContact O-N 3.11Å; V358-F362 WeakPolarHBondContact O-CE2 3.29Å
359L98.2Very high96.7Very high0 Ų030.5 Ų30.50%015%0.152CC..G310 helixtrans-88.7-1.5-178.1-56.7-175.1000113.4A276 Y277 L314 W333 L356 D357 T361 F362 I365 W401 Y421A276-L359 HydrophobicContact CB-CD1 3.9Å; A276-L359 HydrophobicContact CB-CG 4.46Å; Y277-L359 HydrophobicContact CD1-CD2 4.32Å; L314-L359 HydrophobicContact CD2-CD2 3.69Å; W333-L359 HydrophobicContact CZ3-CD2 4.25Å; L356-L359 HydrophobicContact CD1-CD1 4.49Å; L356-L359 WeakPolarHBondContact O-CB 3.34Å; L356-L359 PolarHBondContact O-N 3.09Å; D357-L359 PolarHBondContact O-N 3.26Å; L359-T361 PolarHBondContact O-N 3.37Å; L359-F362 HydrophobicContact CD2-CD2 4.41Å; L359-F362 HydrophobicContact CD2-CE2 4.4Å; L359-F362 WeakPolarHBondContact O-CD2 3.4Å; L359-F362 PolarHBondContact O-N 3.44Å; L359-I365 HydrophobicContact CB-CD1 3.93Å; L359-I365 HydrophobicContact CD1-CD1 4.15Å; L359-I365 HydrophobicContact CD1-CG2 4.25Å; L359-W401 HydrophobicContact CB-CH2 3.53Å; L359-W401 HydrophobicContact CB-CZ2 3.63Å; L359-W401 HydrophobicContact CB-CZ3 4.48Å; L359-W401 HydrophobicContact CD1-CH2 4.17Å; L359-W401 HydrophobicContact CG-CH2 4.46Å; L359-Y421 HydrophobicContact CD1-CE1 3.86Å
360D98Very high96.6Very high13 Ų1330.7 Ų30.77%0.0715%0.151CC..THydrogen-bonded Turntrans-54-32.5-173.6-74.7-3.2000114.5D357 W401 K402 E403 S404 I405D357-D360 WeakPolarHBondContact O-CB 3.48Å; D357-D360 PolarHBondContact O-N 2.98Å; D360-W401 PolarHBondContact OD1-NE1 3.48Å; D360-K402 CarbonylContact O-C 3.35Å; D360-K402 WeakPolarHBondContact O-CA 3.29Å; D360-K402 PolarHBondContact O-N 3.42Å; D360-E403 VanDerWaalsContact CB-O 3.27Å; D360-E403 WeakPolarHBondContact CB-O 3.39Å; D360-E403 VanDerWaalsContact CG-O 3.24Å; D360-E403 PolarHBondContact O-N 3.11Å; D360-E403 VanDerWaalsContact O-N 3.16Å; D360-S404 VanDerWaalsContact OD2-CA 3.3Å; D360-S404 WeakPolarHBondContact OD2-CA 3.49Å; D360-I405 WeakPolarHBondContact OD1-CG1 3.27Å; D360-I405 PolarHBondContact OD2-N 2.87Å
361T95.3Very high96.6Very high71 Ų7128.1 Ų28.144%0.43614%0.14SC..THydrogen-bonded Turntrans-100.19.8-170.864.70000114.1K313 L359K313-T361 WeakPolarHBondContact CE-OG1 3.5Å; K313-T361 PolarHBondContact NZ-O 3.04Å; K313-T361 PolarHBondContact NZ-OG1 3.17Å; K313-T361 VanDerWaalsContact NZ-OG1 3.11Å; L359-T361 PolarHBondContact O-N 3.37Å
362F95.9Very high96.5Very high13 Ų1331.6 Ų31.66%0.05716%0.155CC..  trans-92.3141.6-177.8-71.3-96.5000111.5T310 K313 L314 W333 V358 L359 I365 G400 K402T310-F362 HydrophobicContact CG2-CE1 3.82Å; K313-F362 HydrophobicContact CB-CZ 4.4Å; K313-F362 HydrophobicContact CD-CE1 4.02Å; K313-F362 HydrophobicContact CD-CE2 4.34Å; K313-F362 HydrophobicContact CD-CZ 3.78Å; K313-F362 HydrophobicContact CG-CE2 4.5Å; K313-F362 HydrophobicContact CG-CZ 3.94Å; L314-F362 HydrophobicContact CD2-CE2 3.83Å; L314-F362 HydrophobicContact CD2-CZ 3.63Å; L314-F362 HydrophobicContact CG-CZ 3.87Å; W333-F362 AromaticContact CH2-CD1 3.69Å; W333-F362 HydrophobicContact CH2-CD1 3.69Å; W333-F362 AromaticContact CH2-CE1 3.76Å; W333-F362 HydrophobicContact CH2-CE1 3.76Å; W333-F362 HydrophobicContact CH2-CG 4.41Å; V358-F362 WeakPolarHBondContact O-CE2 3.29Å; L359-F362 HydrophobicContact CD2-CD2 4.41Å; L359-F362 HydrophobicContact CD2-CE2 4.4Å; L359-F362 WeakPolarHBondContact O-CD2 3.4Å; L359-F362 PolarHBondContact O-N 3.44Å; F362-I365 HydrophobicContact CB-CG1 3.94Å; F362-G400 VanDerWaalsContact O-CA 3.32Å; F362-G400 WeakPolarHBondContact O-CA 3.32Å; F362-K402 WeakPolarHBondContact O-CG 3Å
363E94.4Very high96.4Very high133 Ų13332.9 Ų32.962%0.62116%0.162SC*.SBendtrans-83.5-37.6174.5-46.4-163.6144.100111.3G400 K402E363-G400 PolarHBondContact O-N 2.89Å; E363-K402 HydrophobicContact CB-CD 4.39Å; E363-K402 HydrophobicContact CG-CD 3.9Å; E363-K402 IonicContact OE1-NZ 3.85Å; E363-K402 PolarHBondContact OE1-NZ 3.49Å
364E94.2Very high96.1Very high120 Ų12038.9 Ų38.956%0.56119%0.194SC*.EExtended strand (participates in β ladder)trans-132.7141.4174.8-65.4-174.9160.600108.9V397 L398E364-V397 HydrophobicContact CB-CG1 4.05Å; E364-V397 HydrophobicContact CG-CG1 4.24Å; E364-L398 WeakPolarHBondContact CA-O 3.29Å
365I95.4Very high95.8Very high0 Ų044.6 Ų44.60%022%0.224CC..EExtended strand (participates in β ladder)trans-122.3133.5176.1-60.6164.8000106.9W333 L359 F362 L398 W401 Y421W333-I365 HydrophobicContact CE3-CG2 4.15Å; W333-I365 HydrophobicContact CZ3-CG2 3.92Å; L359-I365 HydrophobicContact CB-CD1 3.93Å; L359-I365 HydrophobicContact CD1-CD1 4.15Å; L359-I365 HydrophobicContact CD1-CG2 4.25Å; F362-I365 HydrophobicContact CB-CG1 3.94Å; I365-L398 PolarHBondContact N-O 2.66Å; I365-L398 PolarHBondContact O-N 3.28Å; I365-W401 HydrophobicContact CD1-CE3 3.9Å; I365-W401 HydrophobicContact CD1-CH2 3.76Å; I365-W401 HydrophobicContact CD1-CZ3 3.29Å; I365-Y421 HydrophobicContact CB-CE2 4.4Å; I365-Y421 HydrophobicContact CG2-CD2 4.11Å; I365-Y421 HydrophobicContact CG2-CE2 3.45Å; I365-Y421 VanDerWaalsContact CG2-CE2 3.45Å
366K95.9Very high95.8Very high60 Ų6046.5 Ų46.526%0.26124%0.24SC..EExtended strand (participates in β ladder)trans-105.2146.5177.2-53.4-171.9179178.40110.5W333 Y395 E396 V397W333-K366 WeakPolarHBondContact CB-O 3.25Å; W333-K366 HydrophobicContact CD2-CB 4.16Å; W333-K366 HydrophobicContact CG-CB 3.9Å; K366-Y395 HydrophobicContact CB-CD1 3.59Å; K366-Y395 HydrophobicContact CB-CE1 4.24Å; K366-Y395 HydrophobicContact CB-CG 4.13Å; K366-Y395 HydrophobicContact CD-CD1 4.4Å; K366-Y395 HydrophobicContact CD-CG 4.25Å; K366-E396 CarbonylContact C-O 3.27Å; K366-E396 WeakPolarHBondContact CA-O 2.71Å; K366-V397 HydrophobicContact CD-CG2 4.5Å; K366-V397 HydrophobicContact CG-CG2 4.24Å
367I97.3Very high95.7Very high0 Ų049.8 Ų49.80%026%0.26CS..EExtended strand (participates in β ladder)trans-124.4125.3172.8-59.2-177.4000108.2I336 V369 Y395 E396 L398 Y421 I425I336-I367 HydrophobicContact CB-CG2 4.03Å; I336-I367 HydrophobicContact CD1-CG2 4.3Å; I336-I367 HydrophobicContact CG1-CG2 3.18Å; I367-V369 HydrophobicContact CB-CG1 4.45Å; I367-V369 HydrophobicContact CG2-CG1 4.06Å; I367-V369 PolarHBondContact O-N 2.73Å; I367-Y395 CarbonylContact O-C 3.49Å; I367-Y395 VanDerWaalsContact O-CA 3.28Å; I367-Y395 WeakPolarHBondContact O-CA 3.08Å; I367-E396 PolarHBondContact N-O 3.29Å; I367-E396 PolarHBondContact O-N 2.7Å; I367-L398 HydrophobicContact CD1-CD1 3.56Å; I367-L398 HydrophobicContact CG1-CD1 4.29Å; I367-Y421 HydrophobicContact CD1-CD2 4.01Å; I367-Y421 HydrophobicContact CD1-CE2 3.5Å; I367-Y421 VanDerWaalsContact CD1-CE2 3.5Å; I367-Y421 HydrophobicContact CG1-CE2 3.67Å; I367-I425 HydrophobicContact CD1-CG1 4.47Å
368G97.1Very high95.7Very high0 Ų049.8 Ų49.80%026%0.26CS..EExtended strand (participates in β ladder)trans-74109.117300000109.9L334 I336 F337L334-G368 PolarHBondContact O-N 3.07Å; I336-G368 WeakPolarHBondContact CB-O 3.45Å; I336-G368 PolarHBondContact N-O 3.1Å; F337-G368 PolarHBondContact N-O 3.21Å
369V97.3Very high95.5Very high17 Ų1756.6 Ų56.610%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-103.1-22.8-172.1-65.60000113.9I367 V394 E396 L428I367-V369 HydrophobicContact CB-CG1 4.45Å; I367-V369 HydrophobicContact CG2-CG1 4.06Å; I367-V369 PolarHBondContact O-N 2.73Å; V369-V394 HydrophobicContact CG2-CG1 4.29Å; V369-V394 WeakPolarHBondContact CG2-O 3.44Å; V369-V394 PolarHBondContact N-O 2.8Å; V369-E396 HydrophobicContact CG1-CB 3.81Å; V369-E396 HydrophobicContact CG2-CB 4.48Å; V369-L428 HydrophobicContact CG1-CD1 3.94Å; V369-L428 HydrophobicContact CG1-CD2 4.48Å
370N96.3Very high95.3Very high58 Ų5861.9 Ų61.931%0.3132%0.32SS..EExtended strand (participates in β ladder)trans-154.6166.1178.9-82.1-53.2000110.9V394N370-V394 HydrophobicContact CB-CB 4.03Å; N370-V394 HydrophobicContact CB-CG2 4.26Å; N370-V394 PolarHBondContact O-N 2.93Å
371Y96.4Very high95Very high0 Ų062.5 Ų62.50%032%0.324CS..EExtended strand (participates in β ladder)trans-115.9148.8170.2-63.2-24.9000111.9P287 D335 F337 L338 V377 I378 F388 V391 E392 V393P287-Y371 HydrophobicContact CB-CE1 3.9Å; P287-Y371 HydrophobicContact CG-CE1 4.38Å; P287-Y371 HydrophobicContact CG-CE2 4.46Å; P287-Y371 WeakPolarHBondContact CG-OH 3.43Å; D335-Y371 PolarHBondContact OD1-OH 2.81Å; D335-Y371 WeakPolarHBondContact OD2-CE1 3.32Å; D335-Y371 VanDerWaalsContact OD2-CZ 3.28Å; D335-Y371 PolarHBondContact OD2-OH 3.48Å; F337-Y371 HydrophobicContact CB-CE1 4.35Å; F337-Y371 HydrophobicContact CB-CE2 4.48Å; F337-Y371 AromaticContact CD1-CD2 3.33Å; F337-Y371 HydrophobicContact CD1-CD2 3.33Å; F337-Y371 HydrophobicContact CD1-CE1 4.47Å; F337-Y371 AromaticContact CD1-CE2 3.25Å; F337-Y371 HydrophobicContact CD1-CE2 3.25Å; F337-Y371 HydrophobicContact CD1-CG 4.02Å; F337-Y371 AromaticContact CD1-CZ 3.88Å; F337-Y371 AromaticContact CE1-CD2 3.34Å; F337-Y371 HydrophobicContact CE1-CD2 3.34Å; F337-Y371 AromaticContact CE1-CE2 3.64Å; F337-Y371 HydrophobicContact CE1-CE2 3.64Å; F337-Y371 HydrophobicContact CE1-CG 4.16Å; F337-Y371 HydrophobicContact CG-CD2 4.09Å; F337-Y371 HydrophobicContact CG-CE2 4.13Å; F337-Y371 HydrophobicContact CG-CG 4.34Å; F337-Y371 HydrophobicContact CZ-CD2 4.11Å; L338-Y371 VanDerWaalsContact CD1-OH 3.29Å; L338-Y371 WeakPolarHBondContact CD1-OH 3.49Å; L338-Y371 HydrophobicContact CD2-CE2 4.4Å; L338-Y371 HydrophobicContact CG-CE2 4.49Å; L338-Y371 VanDerWaalsContact CG-OH 3.22Å; L338-Y371 WeakPolarHBondContact CG-OH 3.28Å; Y371-V377 WeakPolarHBondContact O-CA 3.29Å; Y371-I378 HydrophobicContact CD2-CD1 4.28Å; Y371-I378 PolarHBondContact O-N 3.31Å; Y371-F388 HydrophobicContact CD2-CE2 4.35Å; Y371-F388 AromaticContact CE2-CE2 3.58Å; Y371-F388 HydrophobicContact CE2-CE2 3.58Å; Y371-F388 HydrophobicContact CE2-CZ 4.28Å; Y371-V391 HydrophobicContact CD1-CG2 4.22Å; Y371-V391 HydrophobicContact CD2-CB 4.45Å; Y371-V391 HydrophobicContact CD2-CG2 4.17Å; Y371-V391 HydrophobicContact CE1-CG2 4.49Å; Y371-V391 HydrophobicContact CE2-CG2 4.41Å; Y371-V391 HydrophobicContact CG-CB 4.22Å; Y371-V391 HydrophobicContact CG-CG2 4.06Å; Y371-E392 CarbonylContact C-O 3.52Å; Y371-E392 WeakPolarHBondContact CA-O 3.41Å; Y371-V393 HydrophobicContact CD1-CB 4.45Å; Y371-V393 HydrophobicContact CD1-CG1 4.44Å; Y371-V393 HydrophobicContact CD1-CG2 4.04Å; Y371-V393 HydrophobicContact CE1-CG1 4.34Å; Y371-V393 HydrophobicContact CE1-CG2 3.85Å
372K96.6Very high95Very high74 Ų7460.1 Ų60.132%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-113.1141.3162.8-66.9176.8-178179.20109.5T376 V377 V391 E392 V394K372-T376 CarbonylContact C-O 3.56Å; K372-T376 VanDerWaalsContact CA-O 3.24Å; K372-T376 WeakPolarHBondContact CA-O 3.31Å; K372-V377 HydrophobicContact CG-CG2 3.99Å; K372-V391 CarbonylContact O-C 3.58Å; K372-V391 WeakPolarHBondContact O-CA 3.3Å; K372-E392 HydrophobicContact CB-CB 4.27Å; K372-E392 PolarHBondContact N-O 2.84Å; K372-E392 PolarHBondContact O-N 2.78Å; K372-V394 HydrophobicContact CD-CG2 4.14Å; K372-V394 HydrophobicContact CG-CG2 3.92Å
373L94.3Very high94.7Very high27 Ų2764.5 Ų64.514%0.14135%0.349CS..EExtended strand (participates in β ladder)trans-127.7122.2167.6-175.964.6000107.4N375 T376 I378 K387 Q390 V391L373-N375 VanDerWaalsContact C-N 3.35Å; L373-N375 PolarHBondContact O-N 3.09Å; L373-T376 PolarHBondContact N-O 2.8Å; L373-T376 PolarHBondContact O-N 3.29Å; L373-T376 VanDerWaalsContact O-N 3.09Å; L373-I378 HydrophobicContact CB-CD1 4.41Å; L373-I378 HydrophobicContact CB-CG2 3.89Å; L373-K387 HydrophobicContact CD2-CB 4.4Å; L373-K387 HydrophobicContact CD2-CD 4.47Å; L373-Q390 HydrophobicContact CD1-CB 3.82Å; L373-V391 HydrophobicContact CD1-CG1 4.44Å
374N92.3Very high94.5Very high128 Ų12861.4 Ų61.468%0.68434%0.341SS*.THydrogen-bonded Turntrans51.452-174.4-56-36.6000112.1T376N374-T376 PolarHBondContact O-N 3.11Å; N374-T376 PolarHBondContact O-OG1 3.01Å
375N91Very high94.2Very high133 Ų13356.5 Ų56.571%0.71132%0.321SS*.THydrogen-bonded Turntrans614.9-177.4-64-51.1000116.6L373L373-N375 VanDerWaalsContact C-N 3.35Å; L373-N375 PolarHBondContact O-N 3.09Å
376T95.2Very high93.9Very high94 Ų9459.8 Ų59.858%0.57734%0.344SS*.EExtended strand (participates in β ladder)trans-105.3128.6178.5-55.60000109.8K372 L373 N374 I378K372-T376 CarbonylContact C-O 3.56Å; K372-T376 VanDerWaalsContact CA-O 3.24Å; K372-T376 WeakPolarHBondContact CA-O 3.31Å; L373-T376 PolarHBondContact N-O 2.8Å; L373-T376 PolarHBondContact O-N 3.29Å; L373-T376 VanDerWaalsContact O-N 3.09Å; N374-T376 PolarHBondContact O-N 3.11Å; N374-T376 PolarHBondContact O-OG1 3.01Å; T376-I378 PolarHBondContact O-N 3.05Å
377V95.6Very high93.7Very high69 Ų6962.6 Ų62.642%0.41836%0.356SS..EExtended strand (participates in β ladder)trans-65.4125.9173.8177.90000109Y371 K372Y371-V377 WeakPolarHBondContact O-CA 3.29Å; K372-V377 HydrophobicContact CG-CG2 3.99Å
378I96Very high93.5Very high32 Ų3263 Ų6316%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-100.815217862177.4000110.4F337 Y371 L373 T376 D380 P382 V391F337-I378 WeakPolarHBondContact CE2-O 3.42Å; F337-I378 HydrophobicContact CZ-CG1 4.34Å; Y371-I378 HydrophobicContact CD2-CD1 4.28Å; Y371-I378 PolarHBondContact O-N 3.31Å; L373-I378 HydrophobicContact CB-CD1 4.41Å; L373-I378 HydrophobicContact CB-CG2 3.89Å; T376-I378 PolarHBondContact O-N 3.05Å; I378-D380 WeakPolarHBondContact CD1-O 3.33Å; I378-P382 HydrophobicContact CD1-CG 3.86Å; I378-V391 HydrophobicContact CD1-CG1 4.06Å
379Q93.7Very high93.1Very high146 Ų14665.5 Ų65.568%0.68238%0.379SS*.SBendtrans-93.6-24.7-177.7-61.9-59.4-43.600113.1F337F337-Q379 VanDerWaalsContact CZ-C 3.42Å; F337-Q379 VanDerWaalsContact CZ-O 3.31Å; F337-Q379 WeakPolarHBondContact CZ-O 3.19Å
380D92.8Very high92.8Very high112 Ų11270 Ų7060%0.59940%0.399SS*.SBendtrans-131.4151.5-175.6-57.7-75.8000111.5I378I378-D380 WeakPolarHBondContact CD1-O 3.33Å
381P92.8Very high92.7Very high25 Ų2567.5 Ų67.516%0.16239%0.385CS..  trans-63.2135.6173.725.2-32.6000109.9F337 L338 Y341 A383 F388F337-P381 HydrophobicContact CE1-CB 4.34Å; L338-P381 HydrophobicContact CD2-CB 3.9Å; L338-P381 HydrophobicContact CD2-CG 4.29Å; Y341-P381 HydrophobicContact CD1-CG 4.25Å; Y341-P381 HydrophobicContact CD2-CG 3.71Å; Y341-P381 HydrophobicContact CE2-CG 4.06Å; Y341-P381 HydrophobicContact CG-CG 3.81Å; P381-A383 PolarHBondContact O-N 3.44Å; P381-F388 HydrophobicContact CB-CE2 4.45Å; P381-F388 HydrophobicContact CB-CZ 4.33Å
382P93.9Very high92.5Very high21 Ų2169.8 Ų69.814%0.13640%0.396CS..  trans-61.4126.8178.8-23.333.6000112I378 C384 K387 F388 V391I378-P382 HydrophobicContact CD1-CG 3.86Å; P382-C384 PolarHBondContact O-N 3.4Å; P382-K387 HydrophobicContact CB-CB 3.74Å; P382-K387 HydrophobicContact CG-CB 4.36Å; P382-F388 HydrophobicContact CB-CB 4.16Å; P382-F388 HydrophobicContact CG-CB 4.4Å; P382-F388 HydrophobicContact CG-CD2 4.38Å; P382-V391 HydrophobicContact CG-CG1 3.72Å
383A90.4Very high92.4Very high106 Ų10666.8 Ų66.888%0.87638%0.384SS*.SBendtrans-65.1-22178.900000113.9P381P381-A383 PolarHBondContact O-N 3.44Å
384C90.2Very high92.5Very high67 Ų6767.7 Ų67.745%0.45339%0.391SS..SBendtrans-97.2123.7177.7-175.80000110.3P382 S386 K387 F388P382-C384 PolarHBondContact O-N 3.4Å; C384-S386 PolarHBondContact O-N 3.09Å; C384-S386 VanDerWaalsContact O-N 3.1Å; C384-S386 PolarHBondContact SG-OG 3.37Å; C384-K387 PolarHBondContact O-N 3.46Å; C384-F388 PolarHBondContact O-N 2.92Å
385A88.4Confident92.7Very high17 Ų1763.8 Ų63.814%0.1437%0.367CS..Hα-helixtrans-54.1-33.3-179.500000113.6T242 Y245 P285 F388 A389T242-A385 HydrophobicContact CG2-CB 4.14Å; Y245-A385 HydrophobicContact CD2-CB 4.41Å; Y245-A385 HydrophobicContact CE2-CB 4Å; P285-A385 HydrophobicContact CG-CB 4.08Å; P285-A385 WeakPolarHBondContact CG-O 3.17Å; A385-F388 PolarHBondContact O-N 3.47Å; A385-A389 WeakPolarHBondContact O-CB 3.35Å; A385-A389 PolarHBondContact O-N 2.63Å
386S89.5Confident93Very high69 Ų6959.7 Ų59.748%0.48334%0.343SS..Hα-helixtrans-68.5-39.1179.264.70000113C384 Q390C384-S386 PolarHBondContact O-N 3.09Å; C384-S386 VanDerWaalsContact O-N 3.1Å; C384-S386 PolarHBondContact SG-OG 3.37Å; S386-Q390 WeakPolarHBondContact O-CG 3.28Å; S386-Q390 PolarHBondContact O-NE2 2.97Å
387K91Very high93.1Very high120 Ų12058.7 Ų58.752%0.52234%0.337SS..Hα-helixtrans-71.1-36.9171.7-72.7-173.8177.5-178.60110.8L373 P382 C384 A389 Q390L373-K387 HydrophobicContact CD2-CB 4.4Å; L373-K387 HydrophobicContact CD2-CD 4.47Å; P382-K387 HydrophobicContact CB-CB 3.74Å; P382-K387 HydrophobicContact CG-CB 4.36Å; C384-K387 PolarHBondContact O-N 3.46Å; K387-A389 VanDerWaalsContact C-N 3.27Å; K387-A389 PolarHBondContact O-N 2.88Å; K387-Q390 WeakPolarHBondContact O-CB 3.41Å; K387-Q390 PolarHBondContact O-N 2.76Å
388F92.2Very high93.2Very high8 Ų856.7 Ų56.74%0.03532%0.324CS..Hα-helixtrans-65.8-33.3-179.8-161.7-169.5000112T242 P285 P287 L338 Y371 P381 P382 C384 A385 Q390 V391T242-F388 HydrophobicContact CG2-CD1 3.74Å; T242-F388 HydrophobicContact CG2-CE1 4.26Å; T242-F388 WeakPolarHBondContact OG1-CE1 3.16Å; P285-F388 HydrophobicContact CB-CB 4.17Å; P285-F388 HydrophobicContact CB-CD1 4.14Å; P285-F388 HydrophobicContact CB-CG 4.13Å; P285-F388 HydrophobicContact CG-CB 4.19Å; P287-F388 HydrophobicContact CG-CD2 3.95Å; P287-F388 HydrophobicContact CG-CE2 3.32Å; P287-F388 HydrophobicContact CG-CZ 3.77Å; L338-F388 HydrophobicContact CD1-CZ 4.08Å; L338-F388 HydrophobicContact CD2-CZ 3.81Å; L338-F388 HydrophobicContact CG-CZ 4.47Å; Y371-F388 HydrophobicContact CD2-CE2 4.35Å; Y371-F388 AromaticContact CE2-CE2 3.58Å; Y371-F388 HydrophobicContact CE2-CE2 3.58Å; Y371-F388 HydrophobicContact CE2-CZ 4.28Å; P381-F388 HydrophobicContact CB-CE2 4.45Å; P381-F388 HydrophobicContact CB-CZ 4.33Å; P382-F388 HydrophobicContact CB-CB 4.16Å; P382-F388 HydrophobicContact CG-CB 4.4Å; P382-F388 HydrophobicContact CG-CD2 4.38Å; C384-F388 PolarHBondContact O-N 2.92Å; A385-F388 PolarHBondContact O-N 3.47Å; F388-Q390 PolarHBondContact O-N 2.81Å; F388-V391 HydrophobicContact CD2-CG1 4.17Å; F388-V391 HydrophobicContact CD2-CG2 4.06Å; F388-V391 HydrophobicContact CE2-CG2 4.27Å; F388-V391 WeakPolarHBondContact O-CG2 3.45Å; F388-V391 PolarHBondContact O-N 2.94Å
389A89.6Confident93.3Very high53 Ų5358.4 Ų58.444%0.43834%0.337SS..THydrogen-bonded Turntrans-66.3-14.3172.300000114.5P285 A385 K387P285-A389 HydrophobicContact CB-CB 4.34Å; P285-A389 HydrophobicContact CG-CB 4.13Å; A385-A389 WeakPolarHBondContact O-CB 3.35Å; A385-A389 PolarHBondContact O-N 2.63Å; K387-A389 VanDerWaalsContact C-N 3.27Å; K387-A389 PolarHBondContact O-N 2.88Å
390Q90.8Very high93.5Very high111 Ų11151.8 Ų51.852%0.51931%0.308SS..THydrogen-bonded Turntrans-102.10.4-176.3-65.416946.300113L373 S386 K387 F388L373-Q390 HydrophobicContact CD1-CB 3.82Å; S386-Q390 WeakPolarHBondContact O-CG 3.28Å; S386-Q390 PolarHBondContact O-NE2 2.97Å; K387-Q390 WeakPolarHBondContact O-CB 3.41Å; K387-Q390 PolarHBondContact O-N 2.76Å; F388-Q390 PolarHBondContact O-N 2.81Å
391V93.6Very high93.7Very high5 Ų547.3 Ų47.33%0.0328%0.283CS..PPolyproline II helixtrans-73.2139.1-178.3-55.20000110.7P287 Y371 K372 L373 I378 P382 F388P287-V391 HydrophobicContact CB-CG2 3.77Å; P287-V391 HydrophobicContact CG-CG2 3.78Å; Y371-V391 HydrophobicContact CD1-CG2 4.22Å; Y371-V391 HydrophobicContact CD2-CB 4.45Å; Y371-V391 HydrophobicContact CD2-CG2 4.17Å; Y371-V391 HydrophobicContact CE1-CG2 4.49Å; Y371-V391 HydrophobicContact CE2-CG2 4.41Å; Y371-V391 HydrophobicContact CG-CB 4.22Å; Y371-V391 HydrophobicContact CG-CG2 4.06Å; K372-V391 CarbonylContact O-C 3.58Å; K372-V391 WeakPolarHBondContact O-CA 3.3Å; L373-V391 HydrophobicContact CD1-CG1 4.44Å; I378-V391 HydrophobicContact CD1-CG1 4.06Å; P382-V391 HydrophobicContact CG-CG1 3.72Å; F388-V391 HydrophobicContact CD2-CG1 4.17Å; F388-V391 HydrophobicContact CD2-CG2 4.06Å; F388-V391 HydrophobicContact CE2-CG2 4.27Å; F388-V391 WeakPolarHBondContact O-CG2 3.45Å; F388-V391 PolarHBondContact O-N 2.94Å
392E93Very high93.9Very high49 Ų4952.5 Ų52.523%0.22930%0.302CS..EExtended strand (participates in β ladder)trans-95.6125.7170.1-65.4173.8-173.600108.9Y371 K372Y371-E392 CarbonylContact C-O 3.52Å; Y371-E392 WeakPolarHBondContact CA-O 3.41Å; K372-E392 HydrophobicContact CB-CB 4.27Å; K372-E392 PolarHBondContact N-O 2.84Å; K372-E392 PolarHBondContact O-N 2.78Å
393V95.1Very high94Very high11 Ų1157 Ų577%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-80.9129.5179.1-174.40000110.5P287 T288 Y371 Y395P287-V393 HydrophobicContact CB-CG2 3.57Å; P287-V393 VanDerWaalsContact O-CG2 3.3Å; P287-V393 WeakPolarHBondContact O-CG2 3.42Å; T288-V393 HydrophobicContact CG2-CG1 4.02Å; T288-V393 HydrophobicContact CG2-CG2 4.21Å; Y371-V393 HydrophobicContact CD1-CB 4.45Å; Y371-V393 HydrophobicContact CD1-CG1 4.44Å; Y371-V393 HydrophobicContact CD1-CG2 4.04Å; Y371-V393 HydrophobicContact CE1-CG1 4.34Å; Y371-V393 HydrophobicContact CE1-CG2 3.85Å; V393-Y395 HydrophobicContact CB-CD2 4.26Å; V393-Y395 HydrophobicContact CB-CE1 4.48Å; V393-Y395 HydrophobicContact CB-CE2 3.55Å; V393-Y395 HydrophobicContact CG1-CD1 4.18Å; V393-Y395 HydrophobicContact CG1-CD2 4.07Å; V393-Y395 HydrophobicContact CG1-CE1 3.76Å; V393-Y395 HydrophobicContact CG1-CE2 3.62Å; V393-Y395 HydrophobicContact CG1-CG 4.34Å; V393-Y395 VanDerWaalsContact CG1-CZ 3.47Å
394V95.3Very high94.3Very high46 Ų4655.5 Ų55.528%0.27931%0.305SS..EExtended strand (participates in β ladder)trans-89.2119.5168-177.50000107.9V369 N370 K372V369-V394 HydrophobicContact CG2-CG1 4.29Å; V369-V394 WeakPolarHBondContact CG2-O 3.44Å; V369-V394 PolarHBondContact N-O 2.8Å; N370-V394 HydrophobicContact CB-CB 4.03Å; N370-V394 HydrophobicContact CB-CG2 4.26Å; N370-V394 PolarHBondContact O-N 2.93Å; K372-V394 HydrophobicContact CD-CG2 4.14Å; K372-V394 HydrophobicContact CG-CG2 3.92Å
395Y96.6Very high94.6Very high45 Ų4552.3 Ų52.318%0.17628%0.283CS..EExtended strand (participates in β ladder)trans-101141.1-179.3-69.3-81.9000112.6T288 Q295 W333 K366 I367 V393T288-Y395 WeakPolarHBondContact CA-OH 3.38Å; T288-Y395 HydrophobicContact CG2-CE1 4.16Å; Q295-Y395 PolarHBondContact NE2-OH 2.87Å; W333-Y395 HydrophobicContact CB-CE1 3.99Å; W333-Y395 AromaticContact CD1-CE1 3.99Å; W333-Y395 HydrophobicContact CG-CE1 4.35Å; K366-Y395 HydrophobicContact CB-CD1 3.59Å; K366-Y395 HydrophobicContact CB-CE1 4.24Å; K366-Y395 HydrophobicContact CB-CG 4.13Å; K366-Y395 HydrophobicContact CD-CD1 4.4Å; K366-Y395 HydrophobicContact CD-CG 4.25Å; I367-Y395 CarbonylContact O-C 3.49Å; I367-Y395 VanDerWaalsContact O-CA 3.28Å; I367-Y395 WeakPolarHBondContact O-CA 3.08Å; V393-Y395 HydrophobicContact CB-CD2 4.26Å; V393-Y395 HydrophobicContact CB-CE1 4.48Å; V393-Y395 HydrophobicContact CB-CE2 3.55Å; V393-Y395 HydrophobicContact CG1-CD1 4.18Å; V393-Y395 HydrophobicContact CG1-CD2 4.07Å; V393-Y395 HydrophobicContact CG1-CE1 3.76Å; V393-Y395 HydrophobicContact CG1-CE2 3.62Å; V393-Y395 HydrophobicContact CG1-CG 4.34Å; V393-Y395 VanDerWaalsContact CG1-CZ 3.47Å
396E97Very high94.9Very high47 Ų4757 Ų5722%0.2230%0.302CS..EExtended strand (participates in β ladder)trans-92.4137.4154.3-172.9174.1153.500108.8K366 I367 V369 L398 R424K366-E396 CarbonylContact C-O 3.27Å; K366-E396 WeakPolarHBondContact CA-O 2.71Å; I367-E396 PolarHBondContact N-O 3.29Å; I367-E396 PolarHBondContact O-N 2.7Å; V369-E396 HydrophobicContact CG1-CB 3.81Å; V369-E396 HydrophobicContact CG2-CB 4.48Å; E396-L398 HydrophobicContact CG-CD2 4.4Å; E396-R424 VanDerWaalsContact CD-NE 3.29Å; E396-R424 IonicContact OE1-CZ 3.96Å; E396-R424 IonicContact OE1-NE 2.83Å; E396-R424 PolarHBondContact OE1-NE 3.25Å; E396-R424 IonicContact OE1-NH2 3.59Å; E396-R424 IonicContact OE2-CZ 3.73Å; E396-R424 VanDerWaalsContact OE2-CZ 3.28Å; E396-R424 IonicContact OE2-NE 2.86Å; E396-R424 PolarHBondContact OE2-NE 3.47Å; E396-R424 IonicContact OE2-NH2 3.09Å; E396-R424 PolarHBondContact OE2-NH2 2.8Å
397V97.2Very high94.9Very high73 Ų7357.3 Ų57.344%0.44230%0.298SS..EExtended strand (participates in β ladder)trans-108124.7178.5-174.10000108.6E364 K366E364-V397 HydrophobicContact CB-CG1 4.05Å; E364-V397 HydrophobicContact CG-CG1 4.24Å; K366-V397 HydrophobicContact CD-CG2 4.5Å; K366-V397 HydrophobicContact CG-CG2 4.24Å
398L97.7Very high95Very high27 Ų2752.9 Ų52.914%0.14128%0.281CS..EExtended strand (participates in β ladder)trans-116.3146.1177.8-62.3175.8000109.7E364 I365 I367 E396 G400 Y421 R424E364-L398 WeakPolarHBondContact CA-O 3.29Å; I365-L398 PolarHBondContact N-O 2.66Å; I365-L398 PolarHBondContact O-N 3.28Å; I367-L398 HydrophobicContact CD1-CD1 3.56Å; I367-L398 HydrophobicContact CG1-CD1 4.29Å; E396-L398 HydrophobicContact CG-CD2 4.4Å; L398-G400 PolarHBondContact O-N 2.79Å; L398-Y421 HydrophobicContact CD1-CD2 3.76Å; L398-Y421 HydrophobicContact CD1-CE2 4.34Å; L398-R424 HydrophobicContact CD1-CB 4.27Å; L398-R424 HydrophobicContact CD1-CG 4.15Å
399P98.2Very high95.1Very high68 Ų6856.3 Ų56.344%0.44230%0.303SS..EExtended strand (participates in β ladder)trans-66.1134.8172.129.7-34.5000109.5
400G97.4Very high95.3Very high7 Ų759 Ų597%0.07231%0.307CS..  trans-75.4176.2166.500000111.4F362 E363 L398 N417F362-G400 VanDerWaalsContact O-CA 3.32Å; F362-G400 WeakPolarHBondContact O-CA 3.32Å; E363-G400 PolarHBondContact O-N 2.89Å; L398-G400 PolarHBondContact O-N 2.79Å; G400-N417 PolarHBondContact O-ND2 3.4Å
401W98.1Very high95.6Very high19 Ų1954.8 Ų54.87%0.07229%0.287CS..  trans-107.6-16.4-175.44799.6000115L356 L359 D360 I365 E403 P415 N417 A418 Y421L356-W401 HydrophobicContact CD1-CH2 3.57Å; L356-W401 HydrophobicContact CD1-CZ2 3.99Å; L356-W401 HydrophobicContact CG-CH2 4.15Å; L356-W401 HydrophobicContact CG-CZ2 4.06Å; L359-W401 HydrophobicContact CB-CH2 3.53Å; L359-W401 HydrophobicContact CB-CZ2 3.63Å; L359-W401 HydrophobicContact CB-CZ3 4.48Å; L359-W401 HydrophobicContact CD1-CH2 4.17Å; L359-W401 HydrophobicContact CG-CH2 4.46Å; D360-W401 PolarHBondContact OD1-NE1 3.48Å; I365-W401 HydrophobicContact CD1-CE3 3.9Å; I365-W401 HydrophobicContact CD1-CH2 3.76Å; I365-W401 HydrophobicContact CD1-CZ3 3.29Å; W401-E403 PolarHBondContact NE1-O 3.04Å; W401-E403 PolarHBondContact O-N 2.91Å; W401-P415 HydrophobicContact CB-CB 3.66Å; W401-P415 HydrophobicContact CB-CG 4.19Å; W401-P415 HydrophobicContact CG-CB 4.17Å; W401-P415 HydrophobicContact CG-CG 4.3Å; W401-N417 HydrophobicContact CB-CB 4.09Å; W401-N417 HydrophobicContact CE3-CB 4.44Å; W401-A418 HydrophobicContact CD2-CB 3.63Å; W401-A418 HydrophobicContact CE3-CB 3.73Å; W401-A418 HydrophobicContact CG-CB 4.1Å; W401-A418 HydrophobicContact CH2-CB 4.25Å; W401-A418 HydrophobicContact CZ2-CB 4.15Å; W401-A418 HydrophobicContact CZ3-CB 4.03Å; W401-Y421 HydrophobicContact CZ3-CG 4.29Å
402K96.8Very high95.8Very high133 Ų13360.7 Ų60.758%0.57832%0.318SS*.  trans49.430.4177.7-57.6-172.281.2174.50113.9D360 F362 E363D360-K402 CarbonylContact O-C 3.35Å; D360-K402 WeakPolarHBondContact O-CA 3.29Å; D360-K402 PolarHBondContact O-N 3.42Å; F362-K402 WeakPolarHBondContact O-CG 3Å; E363-K402 HydrophobicContact CB-CD 4.39Å; E363-K402 HydrophobicContact CG-CD 3.9Å; E363-K402 IonicContact OE1-NZ 3.85Å; E363-K402 PolarHBondContact OE1-NZ 3.49Å
403E96.2Very high96Very high115 Ų11564.1 Ų64.154%0.53733%0.334SS..SBendtrans-139.5141.2-173.4-176.4174.2170.100108.9D360 W401 I405 P415D360-E403 VanDerWaalsContact CB-O 3.27Å; D360-E403 WeakPolarHBondContact CB-O 3.39Å; D360-E403 VanDerWaalsContact CG-O 3.24Å; D360-E403 PolarHBondContact O-N 3.11Å; D360-E403 VanDerWaalsContact O-N 3.16Å; W401-E403 PolarHBondContact NE1-O 3.04Å; W401-E403 PolarHBondContact O-N 2.91Å; E403-I405 PolarHBondContact O-N 2.89Å; E403-P415 HydrophobicContact CB-CG 4.02Å; E403-P415 HydrophobicContact CG-CG 4.08Å
404S96.5Very high96.1Very high75 Ų7563.8 Ų63.852%0.52433%0.332SS..  trans-74.2128.6178-178.60000110.2D360 Q406D360-S404 VanDerWaalsContact OD2-CA 3.3Å; D360-S404 WeakPolarHBondContact OD2-CA 3.49Å; S404-Q406 WeakPolarHBondContact OG-CB 3.27Å; S404-Q406 PolarHBondContact OG-N 3.26Å
405I97.1Very high96.3Very high0 Ų062.5 Ų62.50%032%0.324CS..  trans-99.910.1170.973.5-178.2000111.9L356 D357 D360 E403 N407 V408 L414 P415 T438L356-I405 HydrophobicContact CB-CD1 3.87Å; L356-I405 HydrophobicContact CD2-CD1 3.73Å; L356-I405 HydrophobicContact CG-CD1 3.58Å; D357-I405 HydrophobicContact CB-CD1 4.48Å; D357-I405 HydrophobicContact CB-CG1 4.1Å; D360-I405 WeakPolarHBondContact OD1-CG1 3.27Å; D360-I405 PolarHBondContact OD2-N 2.87Å; E403-I405 PolarHBondContact O-N 2.89Å; I405-N407 PolarHBondContact O-N 3.18Å; I405-N407 VanDerWaalsContact O-N 3.16Å; I405-V408 HydrophobicContact CB-CG2 4.25Å; I405-V408 WeakPolarHBondContact O-CB 3.34Å; I405-V408 VanDerWaalsContact O-CG2 3.28Å; I405-V408 WeakPolarHBondContact O-CG2 3.35Å; I405-V408 PolarHBondContact O-N 3.28Å; I405-L414 HydrophobicContact CB-CD2 3.91Å; I405-L414 HydrophobicContact CD1-CD2 4.05Å; I405-L414 HydrophobicContact CG1-CD2 4.5Å; I405-L414 HydrophobicContact CG2-CD2 3.98Å; I405-P415 VanDerWaalsContact CG2-CD 3.46Å; I405-P415 HydrophobicContact CG2-CG 3.91Å; I405-T438 HydrophobicContact CD1-CG2 4.15Å; I405-T438 HydrophobicContact CG1-CG2 4.36Å; I405-T438 WeakPolarHBondContact O-CB 3.3Å
406Q93.8Very high96.3Very high115 Ų11565.4 Ų65.454%0.53734%0.342SS..THydrogen-bonded Turntrans-53.4123.9-174.5-170.4175.4-0.600111S404 V408 T438S404-Q406 WeakPolarHBondContact OG-CB 3.27Å; S404-Q406 PolarHBondContact OG-N 3.26Å; Q406-V408 PolarHBondContact O-N 3.25Å; Q406-T438 VanDerWaalsContact CA-O 3.27Å; Q406-T438 WeakPolarHBondContact CA-O 3.42Å
407N89Confident96.4Very high76 Ų7665.3 Ų65.341%0.40634%0.343SS..THydrogen-bonded Turntrans66.714.2179.3-55.4-33.8000115.7I405 T409 T438 S444I405-N407 PolarHBondContact O-N 3.18Å; I405-N407 VanDerWaalsContact O-N 3.16Å; N407-T409 PolarHBondContact O-N 3.16Å; N407-T438 PolarHBondContact N-O 2.95Å; N407-S444 PolarHBondContact OD1-OG 3.06Å
408V94.7Very high96.5Very high27 Ų2761.9 Ų61.916%0.16432%0.322CS..  trans-64.3127.6166.3176.30000109.1I405 Q406 E410 H413 L414 T438 I446I405-V408 HydrophobicContact CB-CG2 4.25Å; I405-V408 WeakPolarHBondContact O-CB 3.34Å; I405-V408 VanDerWaalsContact O-CG2 3.28Å; I405-V408 WeakPolarHBondContact O-CG2 3.35Å; I405-V408 PolarHBondContact O-N 3.28Å; Q406-V408 PolarHBondContact O-N 3.25Å; V408-E410 VanDerWaalsContact CG1-O 3.27Å; V408-E410 WeakPolarHBondContact CG1-O 3.28Å; V408-H413 HydrophobicContact CG1-CB 3.82Å; V408-L414 HydrophobicContact CB-CD2 4.2Å; V408-L414 HydrophobicContact CG1-CD2 3.89Å; V408-L414 HydrophobicContact CG1-CG 4.17Å; V408-T438 HydrophobicContact CB-CG2 4.39Å; V408-T438 WeakPolarHBondContact O-CB 3.33Å; V408-T438 WeakPolarHBondContact O-CG2 3.32Å; V408-T438 PolarHBondContact O-OG1 2.87Å; V408-I446 HydrophobicContact CG1-CD1 4.13Å; V408-I446 WeakPolarHBondContact O-CG1 3.48Å
409T93.2Very high96.5Very high80 Ų8062 Ų6249%0.49132%0.323SS..  trans-115-6.1-176.853.70000114.2N407N407-T409 PolarHBondContact O-N 3.16Å
410E95Very high96.5Very high109 Ų10963.5 Ų63.551%0.50932%0.322SS..SBendtrans-122.1137.6178.5-66.6174.8-146.800110V408 D412 H413V408-E410 VanDerWaalsContact CG1-O 3.27Å; V408-E410 WeakPolarHBondContact CG1-O 3.28Å; E410-D412 VanDerWaalsContact C-N 3.34Å; E410-D412 PolarHBondContact O-N 3.32Å; E410-H413 HydrophobicContact CB-CB 4.41Å; E410-H413 PolarHBondContact O-N 2.99Å; E410-H413 IonicContact OE1-CE1 3.12Å; E410-H413 IonicContact OE2-CE1 3.78Å; E410-H413 PolarHBondContact OE2-CE1 3.21Å; E410-H413 IonicContact OE2-ND1 3.64Å; E410-H413 IonicContact OE2-NE2 3.59Å
411F97Very high96.6Very high23 Ų2363.3 Ų63.310%0.10132%0.319CS..G310 helixtrans-62.1-41.5-175.1-175.8-99.4000112.5H413 L414 Q419 V422 Q423 I436 I446 R448F411-H413 PolarHBondContact O-N 2.86Å; F411-L414 HydrophobicContact CD2-CD1 3.88Å; F411-L414 HydrophobicContact CE2-CD1 4.09Å; F411-L414 WeakPolarHBondContact O-CB 3.37Å; F411-L414 PolarHBondContact O-N 2.99Å; F411-Q419 HydrophobicContact CE1-CB 4.08Å; F411-Q419 HydrophobicContact CE1-CG 3.99Å; F411-Q419 HydrophobicContact CZ-CB 3.83Å; F411-Q419 HydrophobicContact CZ-CG 4.02Å; F411-V422 HydrophobicContact CE2-CB 4.04Å; F411-V422 HydrophobicContact CE2-CG1 3.92Å; F411-V422 HydrophobicContact CE2-CG2 4.39Å; F411-V422 HydrophobicContact CZ-CB 4.49Å; F411-Q423 HydrophobicContact CZ-CG 4.21Å; F411-I436 HydrophobicContact CD2-CD1 3.58Å; F411-I436 HydrophobicContact CE2-CD1 3.85Å; F411-I446 HydrophobicContact CB-CG2 4.21Å; F411-R448 HydrophobicContact CB-CG 4.46Å
412D96.6Very high96.6Very high130 Ų13062.4 Ų62.470%0.69532%0.316SS*.G310 helixtrans-70.1-15-177.2-62.7-16.1000112.8E410 Q419E410-D412 VanDerWaalsContact C-N 3.34Å; E410-D412 PolarHBondContact O-N 3.32Å; D412-Q419 PolarHBondContact O-NE2 3.06Å
413H97.2Very high96.7Very high120 Ų12060.2 Ų60.256%0.55631%0.308SS*.G310 helixtrans-86.9-5.4173.9-66.7162.6000113.5V408 E410 F411V408-H413 HydrophobicContact CG1-CB 3.82Å; E410-H413 HydrophobicContact CB-CB 4.41Å; E410-H413 PolarHBondContact O-N 2.99Å; E410-H413 IonicContact OE1-CE1 3.12Å; E410-H413 IonicContact OE2-CE1 3.78Å; E410-H413 PolarHBondContact OE2-CE1 3.21Å; E410-H413 IonicContact OE2-ND1 3.64Å; E410-H413 IonicContact OE2-NE2 3.59Å; F411-H413 PolarHBondContact O-N 2.86Å
414L98.2Very high96.8Very high5 Ų557.4 Ų57.43%0.02629%0.292CS..SBendtrans-69.6147.4170.6-70.1174.3000110.4L356 I405 V408 F411 A418 Q419 T438 I446L356-L414 HydrophobicContact CD2-CD1 4.44Å; I405-L414 HydrophobicContact CB-CD2 3.91Å; I405-L414 HydrophobicContact CD1-CD2 4.05Å; I405-L414 HydrophobicContact CG1-CD2 4.5Å; I405-L414 HydrophobicContact CG2-CD2 3.98Å; V408-L414 HydrophobicContact CB-CD2 4.2Å; V408-L414 HydrophobicContact CG1-CD2 3.89Å; V408-L414 HydrophobicContact CG1-CG 4.17Å; F411-L414 HydrophobicContact CD2-CD1 3.88Å; F411-L414 HydrophobicContact CE2-CD1 4.09Å; F411-L414 WeakPolarHBondContact O-CB 3.37Å; F411-L414 PolarHBondContact O-N 2.99Å; L414-A418 HydrophobicContact CB-CB 4.28Å; L414-Q419 HydrophobicContact CB-CG 3.71Å; L414-Q419 PolarHBondContact O-NE2 3.12Å; L414-T438 HydrophobicContact CD2-CG2 4.18Å; L414-I446 HydrophobicContact CD1-CD1 3.62Å; L414-I446 HydrophobicContact CD2-CD1 3.84Å; L414-I446 HydrophobicContact CG-CD1 3.67Å
415P98.2Very high96.9Very high18 Ų1853.9 Ų53.912%0.11727%0.267CS..  trans-53.6143.8168.4-25.834.7000111.2W401 E403 I405 N417 A418 Q419W401-P415 HydrophobicContact CB-CB 3.66Å; W401-P415 HydrophobicContact CB-CG 4.19Å; W401-P415 HydrophobicContact CG-CB 4.17Å; W401-P415 HydrophobicContact CG-CG 4.3Å; E403-P415 HydrophobicContact CB-CG 4.02Å; E403-P415 HydrophobicContact CG-CG 4.08Å; I405-P415 VanDerWaalsContact CG2-CD 3.46Å; I405-P415 HydrophobicContact CG2-CG 3.91Å; P415-N417 PolarHBondContact O-N 2.75Å; P415-N417 VanDerWaalsContact O-N 3.07Å; P415-A418 HydrophobicContact CB-CB 4.42Å; P415-A418 WeakPolarHBondContact O-CA 3.37Å; P415-A418 WeakPolarHBondContact O-CB 3.39Å; P415-A418 PolarHBondContact O-N 2.84Å; P415-Q419 PolarHBondContact O-N 2.84Å
416L98.2Very high97Very high107 Ų10755.1 Ų55.156%0.5627%0.273SS*.Hα-helixtrans-55.2-35.9-173.9-177.762.8000113Q419 K420L416-Q419 PolarHBondContact O-N 3.32Å; L416-K420 HydrophobicContact CG-CD 4.37Å; L416-K420 WeakPolarHBondContact O-CB 3.47Å; L416-K420 VanDerWaalsContact O-CG 3.29Å; L416-K420 WeakPolarHBondContact O-CG 3.48Å; L416-K420 PolarHBondContact O-N 2.74Å
417N98.6Very high97.2Very high45 Ų4556.3 Ų56.324%0.24128%0.278CS..Hα-helixtrans-71.5-31.9177.4-69.1-14.4000112.6G400 W401 P415 Y421G400-N417 PolarHBondContact O-ND2 3.4Å; W401-N417 HydrophobicContact CB-CB 4.09Å; W401-N417 HydrophobicContact CE3-CB 4.44Å; P415-N417 PolarHBondContact O-N 2.75Å; P415-N417 VanDerWaalsContact O-N 3.07Å; N417-Y421 WeakPolarHBondContact O-CB 3.46Å; N417-Y421 PolarHBondContact O-N 2.85Å
418A98.6Very high97.7Very high0 Ų053.9 Ų53.90%027%0.266CS..Hα-helixtrans-68.5-41.9172.100000111.2W401 L414 P415 K420 Y421 V422W401-A418 HydrophobicContact CD2-CB 3.63Å; W401-A418 HydrophobicContact CE3-CB 3.73Å; W401-A418 HydrophobicContact CG-CB 4.1Å; W401-A418 HydrophobicContact CH2-CB 4.25Å; W401-A418 HydrophobicContact CZ2-CB 4.15Å; W401-A418 HydrophobicContact CZ3-CB 4.03Å; L414-A418 HydrophobicContact CB-CB 4.28Å; P415-A418 HydrophobicContact CB-CB 4.42Å; P415-A418 WeakPolarHBondContact O-CA 3.37Å; P415-A418 WeakPolarHBondContact O-CB 3.39Å; P415-A418 PolarHBondContact O-N 2.84Å; A418-K420 PolarHBondContact O-N 2.95Å; A418-Y421 WeakPolarHBondContact O-CB 3.44Å; A418-Y421 PolarHBondContact O-N 3.4Å; A418-V422 WeakPolarHBondContact O-CG2 3.36Å; A418-V422 PolarHBondContact O-N 2.9Å; A418-V422 VanDerWaalsContact O-N 3.09Å
419Q98.5Very high97.8Very high31 Ų3153.2 Ų53.215%0.14526%0.261CS..Hα-helixtrans-59.2-47.3173.3-63.1-176.731.200111.4F411 D412 L414 P415 L416 Y421 V422 Q423F411-Q419 HydrophobicContact CE1-CB 4.08Å; F411-Q419 HydrophobicContact CE1-CG 3.99Å; F411-Q419 HydrophobicContact CZ-CB 3.83Å; F411-Q419 HydrophobicContact CZ-CG 4.02Å; D412-Q419 PolarHBondContact O-NE2 3.06Å; L414-Q419 HydrophobicContact CB-CG 3.71Å; L414-Q419 PolarHBondContact O-NE2 3.12Å; P415-Q419 PolarHBondContact O-N 2.84Å; L416-Q419 PolarHBondContact O-N 3.32Å; Q419-Y421 VanDerWaalsContact C-N 3.3Å; Q419-Y421 PolarHBondContact O-N 3.39Å; Q419-V422 PolarHBondContact O-N 3.28Å; Q419-Q423 WeakPolarHBondContact O-CB 3.36Å; Q419-Q423 VanDerWaalsContact O-CG 3.31Å; Q419-Q423 WeakPolarHBondContact O-CG 3.45Å; Q419-Q423 PolarHBondContact O-N 3.48Å
420K98.6Very high98.1Very high99 Ų9952.5 Ų52.543%0.4327%0.27SS..Hα-helixtrans-60.4-38176.2-75172.4179.9174.40112.4L416 A418 R424L416-K420 HydrophobicContact CG-CD 4.37Å; L416-K420 WeakPolarHBondContact O-CB 3.47Å; L416-K420 VanDerWaalsContact O-CG 3.29Å; L416-K420 WeakPolarHBondContact O-CG 3.48Å; L416-K420 PolarHBondContact O-N 2.74Å; A418-K420 PolarHBondContact O-N 2.95Å; K420-R424 WeakPolarHBondContact O-CB 3.49Å; K420-R424 PolarHBondContact O-N 3.22Å
421Y98.8Very high98.2Very high3 Ų347.6 Ų47.61%0.01225%0.248CC..Hα-helixtrans-60.5-48.9175.1-172.7-101.3000111.4A276 L356 L359 I365 I367 L398 W401 N417 A418 Q419 R424 I425A276-Y421 HydrophobicContact CB-CE1 4.3Å; A276-Y421 PolarHBondContact O-OH 3.24Å; L356-Y421 HydrophobicContact CD1-CD1 3.74Å; L356-Y421 HydrophobicContact CD1-CE1 4.14Å; L359-Y421 HydrophobicContact CD1-CE1 3.86Å; I365-Y421 HydrophobicContact CB-CE2 4.4Å; I365-Y421 HydrophobicContact CG2-CD2 4.11Å; I365-Y421 HydrophobicContact CG2-CE2 3.45Å; I365-Y421 VanDerWaalsContact CG2-CE2 3.45Å; I367-Y421 HydrophobicContact CD1-CD2 4.01Å; I367-Y421 HydrophobicContact CD1-CE2 3.5Å; I367-Y421 VanDerWaalsContact CD1-CE2 3.5Å; I367-Y421 HydrophobicContact CG1-CE2 3.67Å; L398-Y421 HydrophobicContact CD1-CD2 3.76Å; L398-Y421 HydrophobicContact CD1-CE2 4.34Å; W401-Y421 HydrophobicContact CZ3-CG 4.29Å; N417-Y421 WeakPolarHBondContact O-CB 3.46Å; N417-Y421 PolarHBondContact O-N 2.85Å; A418-Y421 WeakPolarHBondContact O-CB 3.44Å; A418-Y421 PolarHBondContact O-N 3.4Å; Q419-Y421 VanDerWaalsContact C-N 3.3Å; Q419-Y421 PolarHBondContact O-N 3.39Å; Y421-R424 PolarHBondContact O-N 3.16Å; Y421-I425 HydrophobicContact CD1-CD1 3.83Å; Y421-I425 HydrophobicContact CE1-CD1 3.49Å; Y421-I425 VanDerWaalsContact CE1-CD1 3.49Å; Y421-I425 WeakPolarHBondContact O-CG1 3.49Å; Y421-I425 PolarHBondContact O-N 2.95Å; Y421-I425 VanDerWaalsContact O-N 3.16Å
422V98.7Very high98.3Very high0 Ų048.2 Ų48.20%025%0.254CS..Hα-helixtrans-61.3-51.3177.3176.90000110.9L353 L356 F411 A418 Q419 R424 I425 E426 I433 I436L353-V422 HydrophobicContact CD2-CG2 3.87Å; L356-V422 HydrophobicContact CD2-CG2 3.95Å; F411-V422 HydrophobicContact CE2-CB 4.04Å; F411-V422 HydrophobicContact CE2-CG1 3.92Å; F411-V422 HydrophobicContact CE2-CG2 4.39Å; F411-V422 HydrophobicContact CZ-CB 4.49Å; A418-V422 WeakPolarHBondContact O-CG2 3.36Å; A418-V422 PolarHBondContact O-N 2.9Å; A418-V422 VanDerWaalsContact O-N 3.09Å; Q419-V422 PolarHBondContact O-N 3.28Å; V422-R424 VanDerWaalsContact C-N 3.27Å; V422-R424 PolarHBondContact O-N 2.7Å; V422-I425 WeakPolarHBondContact O-CB 3.33Å; V422-I425 PolarHBondContact O-N 3Å; V422-I425 VanDerWaalsContact O-N 3.12Å; V422-E426 PolarHBondContact O-N 2.71Å; V422-I433 HydrophobicContact CG1-CB 4.17Å; V422-I433 HydrophobicContact CG1-CD1 3.84Å; V422-I433 HydrophobicContact CG1-CG2 4.25Å; V422-I436 HydrophobicContact CG1-CD1 3.95Å; V422-I436 HydrophobicContact CG1-CG1 4.48Å; V422-I436 HydrophobicContact CG2-CD1 4.22Å
423Q98.4Very high98.3Very high87 Ų8742.1 Ų42.141%0.40722%0.221SC..Hα-helixtrans-60.1-37.7-179.9-72.2167.8-9.700112F411 Q419 I425 E426 E427F411-Q423 HydrophobicContact CZ-CG 4.21Å; Q419-Q423 WeakPolarHBondContact O-CB 3.36Å; Q419-Q423 VanDerWaalsContact O-CG 3.31Å; Q419-Q423 WeakPolarHBondContact O-CG 3.45Å; Q419-Q423 PolarHBondContact O-N 3.48Å; Q423-I425 VanDerWaalsContact C-N 3.34Å; Q423-I425 PolarHBondContact O-N 3.49Å; Q423-E426 WeakPolarHBondContact O-CB 3.47Å; Q423-E426 PolarHBondContact O-N 2.81Å; Q423-E427 WeakPolarHBondContact O-CB 3.47Å; Q423-E427 PolarHBondContact O-N 3.16Å
424R98.6Very high98.3Very high56 Ų5637.3 Ų37.321%0.21120%0.2CC..Hα-helixtrans-66.5-36.8177.9-173.755.2176.6157.13.2112E396 L398 K420 Y421 V422 E427 L428E396-R424 VanDerWaalsContact CD-NE 3.29Å; E396-R424 IonicContact OE1-CZ 3.96Å; E396-R424 IonicContact OE1-NE 2.83Å; E396-R424 PolarHBondContact OE1-NE 3.25Å; E396-R424 IonicContact OE1-NH2 3.59Å; E396-R424 IonicContact OE2-CZ 3.73Å; E396-R424 VanDerWaalsContact OE2-CZ 3.28Å; E396-R424 IonicContact OE2-NE 2.86Å; E396-R424 PolarHBondContact OE2-NE 3.47Å; E396-R424 IonicContact OE2-NH2 3.09Å; E396-R424 PolarHBondContact OE2-NH2 2.8Å; L398-R424 HydrophobicContact CD1-CB 4.27Å; L398-R424 HydrophobicContact CD1-CG 4.15Å; K420-R424 WeakPolarHBondContact O-CB 3.49Å; K420-R424 PolarHBondContact O-N 3.22Å; Y421-R424 PolarHBondContact O-N 3.16Å; V422-R424 VanDerWaalsContact C-N 3.27Å; V422-R424 PolarHBondContact O-N 2.7Å; R424-E427 WeakPolarHBondContact CD-OE2 2.87Å; R424-E427 IonicContact CZ-OE2 3.31Å; R424-E427 IonicContact NH1-OE1 2.64Å; R424-E427 PolarHBondContact NH1-OE1 2.93Å; R424-E427 IonicContact NH1-OE2 3.49Å; R424-E427 PolarHBondContact NH1-OE2 3.34Å; R424-L428 HydrophobicContact CG-CD1 3.9Å; R424-L428 HydrophobicContact CG-CG 4.38Å; R424-L428 VanDerWaalsContact O-CB 3.25Å; R424-L428 WeakPolarHBondContact O-CB 3.47Å; R424-L428 WeakPolarHBondContact O-CD1 3.25Å; R424-L428 WeakPolarHBondContact O-CG 3.22Å; R424-L428 PolarHBondContact O-N 2.87Å
425I98.7Very high98.2Very high0 Ų037.9 Ų37.90%020%0.201CC..Hα-helixtrans-63.9-45.9172.4-63.3165.1000110.2L334 I336 L339 L353 I367 Y421 V422 Q423 E427 L428 V429 I433L334-I425 HydrophobicContact CD2-CD1 3.46Å; L334-I425 VanDerWaalsContact CD2-CD1 3.46Å; L334-I425 HydrophobicContact CD2-CG1 3.66Å; I336-I425 HydrophobicContact CD1-CB 4.44Å; I336-I425 HydrophobicContact CD1-CG1 4.29Å; I336-I425 HydrophobicContact CD1-CG2 3.99Å; L339-I425 HydrophobicContact CD2-CG2 4.31Å; L353-I425 HydrophobicContact CD1-CD1 3.98Å; L353-I425 HydrophobicContact CD2-CD1 4.08Å; I367-I425 HydrophobicContact CD1-CG1 4.47Å; Y421-I425 HydrophobicContact CD1-CD1 3.83Å; Y421-I425 HydrophobicContact CE1-CD1 3.49Å; Y421-I425 VanDerWaalsContact CE1-CD1 3.49Å; Y421-I425 WeakPolarHBondContact O-CG1 3.49Å; Y421-I425 PolarHBondContact O-N 2.95Å; Y421-I425 VanDerWaalsContact O-N 3.16Å; V422-I425 WeakPolarHBondContact O-CB 3.33Å; V422-I425 PolarHBondContact O-N 3Å; V422-I425 VanDerWaalsContact O-N 3.12Å; Q423-I425 VanDerWaalsContact C-N 3.34Å; Q423-I425 PolarHBondContact O-N 3.49Å; I425-E427 PolarHBondContact O-N 3.02Å; I425-L428 PolarHBondContact O-N 2.93Å; I425-V429 HydrophobicContact CG2-CG2 4.17Å; I425-V429 WeakPolarHBondContact O-CB 3.4Å; I425-V429 VanDerWaalsContact O-CG2 3.3Å; I425-V429 WeakPolarHBondContact O-CG2 3.19Å; I425-V429 PolarHBondContact O-N 2.77Å; I425-I433 HydrophobicContact CB-CD1 3.92Å; I425-I433 HydrophobicContact CG2-CD1 3.78Å
426E98.4Very high98.2Very high27 Ų2737 Ų3713%0.12620%0.196CC..Hα-helixtrans-58.3-47.7177.4-64.7-177.4123.200111.5V422 Q423 G430 V431 I433 R448V422-E426 PolarHBondContact O-N 2.71Å; Q423-E426 WeakPolarHBondContact O-CB 3.47Å; Q423-E426 PolarHBondContact O-N 2.81Å; E426-G430 VanDerWaalsContact O-CA 3.31Å; E426-G430 WeakPolarHBondContact O-CA 3.49Å; E426-G430 PolarHBondContact O-N 3.06Å; E426-V431 PolarHBondContact O-N 3.5Å; E426-I433 HydrophobicContact CG-CB 4.04Å; E426-I433 HydrophobicContact CG-CD1 3.87Å; E426-I433 HydrophobicContact CG-CG1 3.8Å; E426-I433 PolarHBondContact OE1-N 2.65Å; E426-R448 VanDerWaalsContact CD-NH1 3.33Å; E426-R448 IonicContact OE1-CZ 3.78Å; E426-R448 IonicContact OE1-NH1 3.05Å; E426-R448 PolarHBondContact OE1-NH1 3.07Å; E426-R448 IonicContact OE1-NH2 3.1Å; E426-R448 IonicContact OE2-NH1 2.82Å; E426-R448 PolarHBondContact OE2-NH1 2.96Å; E426-R448 IonicContact OE2-NH2 3.1Å
427E98.5Very high98.1Very high139 Ų13932.2 Ų32.265%0.6517%0.172SC*.Hα-helixtrans-60.9-46.8178.1-172.2-163.116000111.4Q423 R424 I425Q423-E427 WeakPolarHBondContact O-CB 3.47Å; Q423-E427 PolarHBondContact O-N 3.16Å; R424-E427 WeakPolarHBondContact CD-OE2 2.87Å; R424-E427 IonicContact CZ-OE2 3.31Å; R424-E427 IonicContact NH1-OE1 2.64Å; R424-E427 PolarHBondContact NH1-OE1 2.93Å; R424-E427 IonicContact NH1-OE2 3.49Å; R424-E427 PolarHBondContact NH1-OE2 3.34Å; I425-E427 PolarHBondContact O-N 3.02Å
428L98.4Very high97.9Very high26 Ų2630 Ų3014%0.13616%0.16CC..Hα-helixtrans-67-43.3-177.4-77.2170.7000111.8I336 K340 V369 R424 I425I336-L428 HydrophobicContact CB-CD1 4.48Å; I336-L428 HydrophobicContact CD1-CB 4.41Å; I336-L428 HydrophobicContact CD1-CD1 4.48Å; I336-L428 HydrophobicContact CG1-CB 4.49Å; I336-L428 HydrophobicContact CG1-CD1 3.95Å; I336-L428 HydrophobicContact CG2-CB 3.71Å; I336-L428 HydrophobicContact CG2-CD1 4.1Å; I336-L428 HydrophobicContact CG2-CG 4.34Å; K340-L428 WeakPolarHBondContact CE-O 3.39Å; K340-L428 PolarHBondContact NZ-O 2.86Å; V369-L428 HydrophobicContact CG1-CD1 3.94Å; V369-L428 HydrophobicContact CG1-CD2 4.48Å; R424-L428 HydrophobicContact CG-CD1 3.9Å; R424-L428 HydrophobicContact CG-CG 4.38Å; R424-L428 VanDerWaalsContact O-CB 3.25Å; R424-L428 WeakPolarHBondContact O-CB 3.47Å; R424-L428 WeakPolarHBondContact O-CD1 3.25Å; R424-L428 WeakPolarHBondContact O-CG 3.22Å; R424-L428 PolarHBondContact O-N 2.87Å; I425-L428 PolarHBondContact O-N 2.93Å
429V98.2Very high97.6Very high12 Ų1230.3 Ų30.37%0.07316%0.163CC..Hα-helixtrans-83.9-26.2-176.5-175.20000112.1I336 L339 N343 L351 I425 V431I336-V429 HydrophobicContact CD1-CG2 3.86Å; L339-V429 HydrophobicContact CB-CG2 4.5Å; L339-V429 HydrophobicContact CD2-CG2 3.63Å; L339-V429 HydrophobicContact CG-CG1 4.35Å; L339-V429 HydrophobicContact CG-CG2 3.83Å; N343-V429 HydrophobicContact CB-CG1 4.14Å; L351-V429 HydrophobicContact CD1-CG1 4.26Å; I425-V429 HydrophobicContact CG2-CG2 4.17Å; I425-V429 WeakPolarHBondContact O-CB 3.4Å; I425-V429 VanDerWaalsContact O-CG2 3.3Å; I425-V429 WeakPolarHBondContact O-CG2 3.19Å; I425-V429 PolarHBondContact O-N 2.77Å; V429-V431 VanDerWaalsContact C-N 3.33Å; V429-V431 HydrophobicContact CG1-CB 4.12Å; V429-V431 HydrophobicContact CG1-CG2 3.94Å
430G97.9Very high96.9Very high65 Ų6535.8 Ų35.867%0.6719%0.187SC*.THydrogen-bonded Turntrans73.524-172.300000113.2E426E426-G430 VanDerWaalsContact O-CA 3.31Å; E426-G430 WeakPolarHBondContact O-CA 3.49Å; E426-G430 PolarHBondContact O-N 3.06Å
431V98.1Very high96.2Very high7 Ų736.6 Ų36.64%0.04219%0.192CC..  trans-132133.4-178.6-177.60000110.1N343 F348 L351 E426 V429N343-V431 VanDerWaalsContact ND2-CG2 3.29Å; N343-V431 WeakPolarHBondContact ND2-CG2 2.99Å; F348-V431 HydrophobicContact CB-CG1 4.08Å; F348-V431 WeakPolarHBondContact O-CG1 3.31Å; L351-V431 HydrophobicContact CD1-CB 4.15Å; L351-V431 HydrophobicContact CD1-CG1 4.32Å; L351-V431 HydrophobicContact CD2-CG1 4.28Å; L351-V431 HydrophobicContact CG-CB 4.11Å; L351-V431 HydrophobicContact CG-CG1 3.73Å; E426-V431 PolarHBondContact O-N 3.5Å; V429-V431 VanDerWaalsContact C-N 3.33Å; V429-V431 HydrophobicContact CG1-CB 4.12Å; V429-V431 HydrophobicContact CG1-CG2 3.94Å
432P97.9Very high95.2Very high36 Ų3641.2 Ų41.223%0.23421%0.209CC..  trans-70.8139.5-177.430.5-39.1000113.4T349 K350 L351 I451T349-P432 WeakPolarHBondContact O-CG 3.35Å; K350-P432 CarbonylContact C-O 3.54Å; K350-P432 WeakPolarHBondContact CA-O 3.44Å; L351-P432 PolarHBondContact N-O 3.41Å; P432-I451 HydrophobicContact CB-CB 3.77Å; P432-I451 HydrophobicContact CB-CD1 3.62Å; P432-I451 HydrophobicContact CB-CG1 4.26Å; P432-I451 HydrophobicContact CB-CG2 3.22Å; P432-I451 HydrophobicContact CG-CG2 4.32Å
433I98.1Very high94.4Very high1 Ų147.1 Ų47.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-95.6110.3173.2-66168.5000109.1L351 L353 V422 I425 E426 I436 R448 I451L351-I433 HydrophobicContact CB-CG1 3.8Å; L351-I433 HydrophobicContact CD1-CG1 4.22Å; L351-I433 WeakPolarHBondContact O-CA 3.4Å; L353-I433 HydrophobicContact CB-CD1 4.33Å; L353-I433 HydrophobicContact CB-CG2 3.8Å; L353-I433 HydrophobicContact CD2-CD1 4.41Å; V422-I433 HydrophobicContact CG1-CB 4.17Å; V422-I433 HydrophobicContact CG1-CD1 3.84Å; V422-I433 HydrophobicContact CG1-CG2 4.25Å; I425-I433 HydrophobicContact CB-CD1 3.92Å; I425-I433 HydrophobicContact CG2-CD1 3.78Å; E426-I433 HydrophobicContact CG-CB 4.04Å; E426-I433 HydrophobicContact CG-CD1 3.87Å; E426-I433 HydrophobicContact CG-CG1 3.8Å; E426-I433 PolarHBondContact OE1-N 2.65Å; I433-I436 HydrophobicContact CG2-CD1 4.42Å; I433-I436 HydrophobicContact CG2-CG1 3.67Å; I433-R448 WeakPolarHBondContact O-CD 3.32Å; I433-R448 PolarHBondContact O-NH1 2.79Å; I433-I451 VanDerWaalsContact C-CD1 3.49Å; I433-I451 VanDerWaalsContact O-CD1 3.22Å; I433-I451 WeakPolarHBondContact O-CD1 3.27Å
434L96Very high94Very high20 Ų2043 Ų4311%0.10522%0.222CC..EExtended strand (participates in β ladder)trans-93-35.8-176.7-16275.4000113.4K350 L351 Q447 R448 I451K350-L434 HydrophobicContact CD-CB 4.23Å; K350-L434 HydrophobicContact CD-CD2 3.62Å; K350-L434 HydrophobicContact CD-CG 4.37Å; L351-L434 PolarHBondContact O-N 2.86Å; L434-Q447 WeakPolarHBondContact O-CA 3.43Å; L434-R448 HydrophobicContact CD1-CB 4.21Å; L434-R448 WeakPolarHBondContact CD1-O 3.49Å; L434-R448 WeakPolarHBondContact CG-O 3.29Å; L434-R448 PolarHBondContact O-N 3.21Å; L434-I451 HydrophobicContact CB-CD1 4.04Å; L434-I451 HydrophobicContact CD1-CD1 3.43Å; L434-I451 VanDerWaalsContact CD1-CD1 3.43Å; L434-I451 HydrophobicContact CD1-CG1 3.82Å; L434-I451 HydrophobicContact CG-CD1 4.37Å
435W96.4Very high93.7Very high16 Ų1641.4 Ų41.46%0.06122%0.218CC..EExtended strand (participates in β ladder)trans-116.4131.7179.6-61.5-81.2000110.5V25 L29 I271 K350 A352 L353 V445 I446V25-W435 HydrophobicContact CG1-CE3 4.49Å; L29-W435 HydrophobicContact CD1-CH2 4.43Å; L29-W435 HydrophobicContact CD2-CH2 4.07Å; L29-W435 HydrophobicContact CD2-CZ2 3.7Å; I271-W435 HydrophobicContact CD1-CH2 3.77Å; I271-W435 HydrophobicContact CD1-CZ3 3.83Å; I271-W435 HydrophobicContact CG1-CH2 4.47Å; I271-W435 HydrophobicContact CG1-CZ3 4.12Å; I271-W435 HydrophobicContact CG2-CE3 4.23Å; I271-W435 HydrophobicContact CG2-CZ3 3.76Å; K350-W435 HydrophobicContact CB-CZ3 4.47Å; A352-W435 CarbonylContact C-O 3.57Å; A352-W435 WeakPolarHBondContact CA-O 3.48Å; A352-W435 HydrophobicContact CB-CB 3.84Å; A352-W435 HydrophobicContact CB-CE3 4.05Å; L353-W435 PolarHBondContact N-O 3.38Å; W435-V445 HydrophobicContact CB-CG2 4.15Å; W435-I446 VanDerWaalsContact CA-O 3.31Å; W435-I446 WeakPolarHBondContact CA-O 3.42Å
436I97.8Very high93.5Very high0 Ų041.5 Ų41.50%022%0.218CC..EExtended strand (participates in β ladder)trans-128114179-54159.7000108.5L353 L356 F411 V422 I433 T438 V445 I446L353-I436 CarbonylContact O-C 3.55Å; L353-I436 VanDerWaalsContact O-CA 3.29Å; L353-I436 WeakPolarHBondContact O-CA 3.31Å; L356-I436 HydrophobicContact CB-CG2 4.18Å; L356-I436 HydrophobicContact CD2-CG2 3.51Å; L356-I436 HydrophobicContact CG-CG2 4.49Å; F411-I436 HydrophobicContact CD2-CD1 3.58Å; F411-I436 HydrophobicContact CE2-CD1 3.85Å; V422-I436 HydrophobicContact CG1-CD1 3.95Å; V422-I436 HydrophobicContact CG1-CG1 4.48Å; V422-I436 HydrophobicContact CG2-CD1 4.22Å; I433-I436 HydrophobicContact CG2-CD1 4.42Å; I433-I436 HydrophobicContact CG2-CG1 3.67Å; I436-T438 HydrophobicContact CG2-CG2 4.45Å; I436-T438 PolarHBondContact O-N 3.47Å; I436-V445 CarbonylContact O-C 3.59Å; I436-V445 VanDerWaalsContact O-CA 3.29Å; I436-V445 WeakPolarHBondContact O-CA 3.31Å; I436-I446 HydrophobicContact CB-CB 4.16Å; I436-I446 HydrophobicContact CB-CD1 4.39Å; I436-I446 PolarHBondContact N-O 3.23Å; I436-I446 PolarHBondContact O-N 3.09Å
437G95.9Very high93.3Very high6 Ų644.1 Ų44.16%0.06223%0.231CC..EExtended strand (participates in β ladder)trans-77116.8177.100000111.2L353 L356L353-G437 PolarHBondContact O-N 3.41Å; L356-G437 WeakPolarHBondContact CB-O 3.41Å; L356-G437 PolarHBondContact N-O 3.37Å
438T96.1Very high93Very high0 Ų039.7 Ų39.70%021%0.208CC..  trans-11023.4-177.153.10000112.2I405 Q406 N407 V408 L414 I436 S444 I446I405-T438 HydrophobicContact CD1-CG2 4.15Å; I405-T438 HydrophobicContact CG1-CG2 4.36Å; I405-T438 WeakPolarHBondContact O-CB 3.3Å; Q406-T438 VanDerWaalsContact CA-O 3.27Å; Q406-T438 WeakPolarHBondContact CA-O 3.42Å; N407-T438 PolarHBondContact N-O 2.95Å; V408-T438 HydrophobicContact CB-CG2 4.39Å; V408-T438 WeakPolarHBondContact O-CB 3.33Å; V408-T438 WeakPolarHBondContact O-CG2 3.32Å; V408-T438 PolarHBondContact O-OG1 2.87Å; L414-T438 HydrophobicContact CD2-CG2 4.18Å; I436-T438 HydrophobicContact CG2-CG2 4.45Å; I436-T438 PolarHBondContact O-N 3.47Å; T438-S444 PolarHBondContact N-O 2.81Å; T438-S444 VanDerWaalsContact N-O 3.09Å; T438-S444 VanDerWaalsContact OG1-C 3.26Å; T438-S444 PolarHBondContact OG1-O 2.86Å; T438-I446 HydrophobicContact CG2-CD1 3.66Å; T438-I446 HydrophobicContact CG2-CG1 3.86Å
439G91.8Very high91.8Very high6 Ų644.7 Ų44.76%0.06224%0.235CC..SBendtrans160.6-179-177.500000113.1K24 D357K24-G439 PolarHBondContact NZ-O 3.01Å; D357-G439 PolarHBondContact OD1-N 3.44Å
440K83.4Confident89.9Confident146 Ų14651.3 Ų51.364%0.63527%0.27SS*.SBendtrans-79.9-34.7-179.5-68177.2-176.3166.60113.4K24 H319K24-K440 PolarHBondContact NZ-O 3.24Å; H319-K440 PolarHBondContact CD2-NZ 3.49Å; H319-K440 PolarHBondContact NE2-NZ 3.09Å
441E83.2Confident87.7Confident116 Ų11650.1 Ų50.154%0.54225%0.248SC..SBendtrans-67.9155.1-172.5-52.8178.9-175.500111.6K24 N443 S444K24-E441 WeakPolarHBondContact CE-O 3.16Å; K24-E441 PolarHBondContact NZ-O 2.86Å; E441-N443 PolarHBondContact O-N 3.39Å; E441-S444 WeakPolarHBondContact CB-OG 3.46Å; E441-S444 PolarHBondContact O-N 2.8Å; E441-S444 VanDerWaalsContact O-N 3.1Å
442R78Confident85Confident100 Ų10058.9 Ų58.938%0.37731%0.305SS..THydrogen-bonded Turntrans-55.1-38.8-177.9-172.2-175.3-171.8-151.52.6112.6D27D27-R442 IonicContact OD1-NH2 2.7Å; D27-R442 IonicContact OD2-CZ 3.36Å; D27-R442 IonicContact OD2-NE 3.46Å; D27-R442 PolarHBondContact OD2-NE 2.9Å; D27-R442 IonicContact OD2-NH2 3.6Å; D27-R442 PolarHBondContact OD2-NH2 3.42Å
443N83Confident84.3Confident124 Ų12460.1 Ų60.166%0.66331%0.309SS*.THydrogen-bonded Turntrans-88.6-6-176.6-61.2-14.8000113.4E441 V445E441-N443 PolarHBondContact O-N 3.39Å; N443-V445 PolarHBondContact O-N 2.85Å
444S89Confident83.6Confident0 Ų063.2 Ų63.20%032%0.324CS..  trans-77.866.8172.4-37.20000109.8K24 N407 T438 E441K24-S444 PolarHBondContact NZ-O 2.75Å; N407-S444 PolarHBondContact OD1-OG 3.06Å; T438-S444 PolarHBondContact N-O 2.81Å; T438-S444 VanDerWaalsContact N-O 3.09Å; T438-S444 VanDerWaalsContact OG1-C 3.26Å; T438-S444 PolarHBondContact OG1-O 2.86Å; E441-S444 WeakPolarHBondContact CB-OG 3.46Å; E441-S444 PolarHBondContact O-N 2.8Å; E441-S444 VanDerWaalsContact O-N 3.1Å
445V92.6Very high82.9Confident22 Ų2265.6 Ų65.613%0.13334%0.337CS..EExtended strand (participates in β ladder)trans-146.9129.2177.761.70000109.5L28 W435 I436 N443L28-V445 HydrophobicContact CD1-CG1 4.03Å; W435-V445 HydrophobicContact CB-CG2 4.15Å; I436-V445 CarbonylContact O-C 3.59Å; I436-V445 VanDerWaalsContact O-CA 3.29Å; I436-V445 WeakPolarHBondContact O-CA 3.31Å; N443-V445 PolarHBondContact O-N 2.85Å
446I95.3Very high82.1Confident2 Ų268.5 Ų68.51%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-84.3129.6167.1-56.9167.8000107V408 F411 L414 W435 I436 T438 R448V408-I446 HydrophobicContact CG1-CD1 4.13Å; V408-I446 WeakPolarHBondContact O-CG1 3.48Å; F411-I446 HydrophobicContact CB-CG2 4.21Å; L414-I446 HydrophobicContact CD1-CD1 3.62Å; L414-I446 HydrophobicContact CD2-CD1 3.84Å; L414-I446 HydrophobicContact CG-CD1 3.67Å; W435-I446 VanDerWaalsContact CA-O 3.31Å; W435-I446 WeakPolarHBondContact CA-O 3.42Å; I436-I446 HydrophobicContact CB-CB 4.16Å; I436-I446 HydrophobicContact CB-CD1 4.39Å; I436-I446 PolarHBondContact N-O 3.23Å; I436-I446 PolarHBondContact O-N 3.09Å; T438-I446 HydrophobicContact CG2-CD1 3.66Å; T438-I446 HydrophobicContact CG2-CG1 3.86Å; I446-R448 HydrophobicContact CG2-CG 4.38Å
447Q93.6Very high81.1Confident82 Ų8272.8 Ų72.838%0.38338%0.375SS..EExtended strand (participates in β ladder)trans-112.7121.1168.3-176.6-177.1-50.900108.4L434 D449L434-Q447 WeakPolarHBondContact O-CA 3.43Å; Q447-D449 PolarHBondContact NE2-OD1 3.32Å
448R93.3Very high80.1Confident46 Ų4677.2 Ų77.217%0.17440%0.396CS..  trans-88.4136.9173.8-66.2167.966.1-166.17.6108.4F411 E426 I433 L434 I446 I451F411-R448 HydrophobicContact CB-CG 4.46Å; E426-R448 VanDerWaalsContact CD-NH1 3.33Å; E426-R448 IonicContact OE1-CZ 3.78Å; E426-R448 IonicContact OE1-NH1 3.05Å; E426-R448 PolarHBondContact OE1-NH1 3.07Å; E426-R448 IonicContact OE1-NH2 3.1Å; E426-R448 IonicContact OE2-NH1 2.82Å; E426-R448 PolarHBondContact OE2-NH1 2.96Å; E426-R448 IonicContact OE2-NH2 3.1Å; I433-R448 WeakPolarHBondContact O-CD 3.32Å; I433-R448 PolarHBondContact O-NH1 2.79Å; L434-R448 HydrophobicContact CD1-CB 4.21Å; L434-R448 WeakPolarHBondContact CD1-O 3.49Å; L434-R448 WeakPolarHBondContact CG-O 3.29Å; L434-R448 PolarHBondContact O-N 3.21Å; I446-R448 HydrophobicContact CG2-CG 4.38Å; R448-I451 HydrophobicContact CB-CD1 4.37Å; R448-I451 HydrophobicContact CB-CG1 4.31Å
449D73.2Confident79Confident132 Ų13282.7 Ų82.771%0.70642%0.424SS*.SBendtrans-95.3-24.3-177.3-70.5-34.5000113.2Q447Q447-D449 PolarHBondContact NE2-OD1 3.32Å
450N56.5Low78Confident150 Ų15088.6 Ų88.680%0.80245%0.452SS*.  trans-129.1113-178.7-69.5-36.5000108.9
451I53.3Low77.6Confident41 Ų4183.8 Ų83.821%0.2144%0.437CS..  trans-119.5128.3161.5-47.9176.8000106P432 I433 L434 R448P432-I451 HydrophobicContact CB-CB 3.77Å; P432-I451 HydrophobicContact CB-CD1 3.62Å; P432-I451 HydrophobicContact CB-CG1 4.26Å; P432-I451 HydrophobicContact CB-CG2 3.22Å; P432-I451 HydrophobicContact CG-CG2 4.32Å; I433-I451 VanDerWaalsContact C-CD1 3.49Å; I433-I451 VanDerWaalsContact O-CD1 3.22Å; I433-I451 WeakPolarHBondContact O-CD1 3.27Å; L434-I451 HydrophobicContact CB-CD1 4.04Å; L434-I451 HydrophobicContact CD1-CD1 3.43Å; L434-I451 VanDerWaalsContact CD1-CD1 3.43Å; L434-I451 HydrophobicContact CD1-CG1 3.82Å; L434-I451 HydrophobicContact CG-CD1 4.37Å; R448-I451 HydrophobicContact CB-CD1 4.37Å; R448-I451 HydrophobicContact CB-CG1 4.31Å
452P39.9Very low77.1Confident191 Ų19180.9 Ų80.9100%1.2443%0.427SS*.  trans-47.10-174.810.4-29.1000115.6

Retrieved 452 of 452 residues in 1629 ms (Link to these results)

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