A0A077Z8K6_TRITR Loading...

tRNA (adenine(58)-N(1))-methyltransferase non-catalytic subunit TRM6

AlphaFold DB , UniProt , Accession A0A077Z8K6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 391 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
1M81.8Confident95.4Very high175 Ų17549.3 Ų49.386%0.86226%0.255SS*.  0117.30-172.9-179.4-80.900106.4Y45 K164M1-Y45 WeakPolarHBondContact O-CD2 3.35Å; M1-K164 PolarHBondContact SD-NZ 2.94Å; M1-K164 VanDerWaalsContact SD-NZ 3.36Å
2E94Very high95.3Very high120 Ų12051.9 Ų51.956%0.56126%0.263SS*.BIsolated β-bridgetrans-86.9158.3179.7-68.4170.3-172.900110.4Q43E2-Q43 CarbonylContact C-O 3.49Å; E2-Q43 WeakPolarHBondContact CA-O 3.41Å
3I97Very high95Very high0 Ų049.2 Ų49.20%025%0.247CC..  trans-75.6128.5172.2-61.9164.8000107.6V9 I22 L40 I41 G42 Q43 Y45 V162I3-V9 HydrophobicContact CD1-CG1 4.06Å; I3-V9 HydrophobicContact CG1-CG1 4.2Å; I3-V9 HydrophobicContact CG2-CG1 4.14Å; I3-I22 HydrophobicContact CG2-CG1 4.05Å; I3-L40 WeakPolarHBondContact CB-O 3.42Å; I3-L40 HydrophobicContact CD1-CB 4.38Å; I3-L40 HydrophobicContact CG2-CB 4.37Å; I3-I41 WeakPolarHBondContact O-CA 3.25Å; I3-G42 PolarHBondContact O-N 2.83Å; I3-Q43 WeakPolarHBondContact CG1-O 3.3Å; I3-Q43 PolarHBondContact N-O 3.34Å; I3-Y45 HydrophobicContact CB-CE2 4.49Å; I3-Y45 HydrophobicContact CD1-CD1 4.27Å; I3-Y45 HydrophobicContact CD1-CG 4.46Å; I3-Y45 HydrophobicContact CG1-CD1 3.89Å; I3-Y45 HydrophobicContact CG1-CD2 3.83Å; I3-Y45 HydrophobicContact CG1-CE1 3.86Å; I3-Y45 HydrophobicContact CG1-CE2 3.73Å; I3-Y45 HydrophobicContact CG1-CG 3.92Å; I3-V162 HydrophobicContact CD1-CG1 3.81Å
4V96.5Very high94.1Very high81 Ų8148.1 Ų48.149%0.49126%0.255SS..  trans-118.2169.5174.7-62.40000110.4G6 S7V4-G6 PolarHBondContact O-N 3.43Å; V4-S7 WeakPolarHBondContact CG2-OG 3.46Å; V4-S7 PolarHBondContact N-OG 3.16Å; V4-S7 WeakPolarHBondContact O-CB 3.33Å; V4-S7 PolarHBondContact O-N 3.37Å; V4-S7 PolarHBondContact O-OG 3.27Å
5E96.3Very high93.3Very high103 Ų10353.1 Ų53.148%0.48128%0.282SS..THydrogen-bonded Turntrans-60133.4171.3-175.4157.6-156.900110.4S7 R24 I41E5-S7 VanDerWaalsContact C-N 3.3Å; E5-R24 PolarHBondContact OE1-N 3.45Å; E5-R24 WeakPolarHBondContact OE2-CD 3.31Å; E5-R24 IonicContact OE2-NE 2.63Å; E5-R24 PolarHBondContact OE2-NE 3.03Å; E5-I41 HydrophobicContact CB-CD1 4.18Å
6G96.3Very high93.1Very high22 Ų2253.4 Ų53.423%0.22729%0.286CS..THydrogen-bonded Turntrans85.2-9.3-172.800000115.1V4 R21 I22 Q248V4-G6 PolarHBondContact O-N 3.43Å; G6-R21 WeakPolarHBondContact O-CG 3.49Å; G6-I22 WeakPolarHBondContact CA-O 3.37Å; G6-I22 PolarHBondContact N-O 2.84Å; G6-Q248 PolarHBondContact O-NE2 3.49Å; G6-Q248 VanDerWaalsContact O-NE2 3.1Å
7S97.3Very high93.1Very high6 Ų651.7 Ų51.74%0.04228%0.279CS..  trans-59.8145.4171.3-77.20000112V4 E5 I22 Y45V4-S7 WeakPolarHBondContact CG2-OG 3.46Å; V4-S7 PolarHBondContact N-OG 3.16Å; V4-S7 WeakPolarHBondContact O-CB 3.33Å; V4-S7 PolarHBondContact O-N 3.37Å; V4-S7 PolarHBondContact O-OG 3.27Å; E5-S7 VanDerWaalsContact C-N 3.3Å; S7-I22 WeakPolarHBondContact O-CB 3.45Å; S7-I22 WeakPolarHBondContact O-CG1 3.49Å; S7-I22 PolarHBondContact O-N 3.01Å; S7-Y45 VanDerWaalsContact CB-OH 3.27Å; S7-Y45 WeakPolarHBondContact CB-OH 3.46Å; S7-Y45 PolarHBondContact OG-OH 2.84Å
8Y97.9Very high93.2Very high35 Ų3553.4 Ų53.414%0.13728%0.281CS..EExtended strand (participates in β ladder)trans-91.4138.5166.7-75.2-107.4000110.3L19 T20 R21 Y45 P165 A246 Q248Y8-L19 HydrophobicContact CD1-CD1 4.12Å; Y8-L19 HydrophobicContact CD1-CD2 4.44Å; Y8-L19 HydrophobicContact CD1-CG 4.2Å; Y8-T20 WeakPolarHBondContact CA-O 3.43Å; Y8-R21 HydrophobicContact CD1-CB 4.11Å; Y8-R21 HydrophobicContact CD2-CB 4.38Å; Y8-R21 HydrophobicContact CD2-CG 4.12Å; Y8-R21 HydrophobicContact CE1-CB 3.86Å; Y8-R21 HydrophobicContact CE1-CG 4.43Å; Y8-R21 HydrophobicContact CE2-CB 4.12Å; Y8-R21 HydrophobicContact CE2-CG 3.78Å; Y8-R21 HydrophobicContact CG-CB 4.38Å; Y8-Y45 WeakPolarHBondContact O-CE1 3.48Å; Y8-Y45 PolarHBondContact O-OH 2.63Å; Y8-P165 VanDerWaalsContact O-CD 3.22Å; Y8-P165 WeakPolarHBondContact O-CD 3.14Å; Y8-A246 HydrophobicContact CD1-CB 3.81Å; Y8-A246 HydrophobicContact CE1-CB 4.27Å; Y8-A246 HydrophobicContact CG-CB 4.08Å; Y8-Q248 HydrophobicContact CD2-CG 3.99Å
9V97.8Very high93.4Very high0 Ų052 Ų520%027%0.274CS..EExtended strand (participates in β ladder)trans-133.4153.8176-56.20000110.3I3 F11 L19 T20 I22 Y45 V162I3-V9 HydrophobicContact CD1-CG1 4.06Å; I3-V9 HydrophobicContact CG1-CG1 4.2Å; I3-V9 HydrophobicContact CG2-CG1 4.14Å; V9-F11 HydrophobicContact CG2-CD2 3.99Å; V9-F11 HydrophobicContact CG2-CE1 4.11Å; V9-F11 HydrophobicContact CG2-CE2 3.45Å; V9-F11 VanDerWaalsContact CG2-CE2 3.45Å; V9-F11 HydrophobicContact CG2-CZ 3.51Å; V9-L19 CarbonylContact O-C 3.43Å; V9-L19 WeakPolarHBondContact O-CA 3.47Å; V9-T20 PolarHBondContact N-O 3.45Å; V9-T20 PolarHBondContact O-N 3.47Å; V9-I22 HydrophobicContact CB-CD1 4.47Å; V9-I22 HydrophobicContact CG1-CD1 4.13Å; V9-I22 HydrophobicContact CG1-CG1 3.8Å; V9-I22 HydrophobicContact CG2-CD1 3.47Å; V9-I22 VanDerWaalsContact CG2-CD1 3.47Å; V9-I22 HydrophobicContact CG2-CG1 3.98Å; V9-Y45 HydrophobicContact CB-CE1 4.49Å; V9-Y45 HydrophobicContact CG1-CD1 4.33Å; V9-Y45 HydrophobicContact CG1-CE1 3.71Å; V9-V162 HydrophobicContact CB-CG1 3.9Å; V9-V162 HydrophobicContact CG1-CG1 4Å; V9-V162 HydrophobicContact CG2-CG1 4.31Å
10I97.9Very high93.6Very high0 Ų049.9 Ų49.90%026%0.263CS..EExtended strand (participates in β ladder)trans-108.2111.5169-62.6168.8000108.1L19 M163 P165 L169 L170 V173I10-L19 HydrophobicContact CG1-CB 4.49Å; I10-L19 HydrophobicContact CG1-CD1 3.83Å; I10-M163 HydrophobicContact CB-CB 4.36Å; I10-M163 HydrophobicContact CB-CE 4.16Å; I10-M163 HydrophobicContact CG2-CE 3.56Å; I10-M163 PolarHBondContact N-O 2.97Å; I10-M163 PolarHBondContact O-N 3.1Å; I10-P165 HydrophobicContact CD1-CB 4.31Å; I10-P165 HydrophobicContact CG1-CG 4.36Å; I10-L169 HydrophobicContact CD1-CB 3.51Å; I10-L169 HydrophobicContact CD1-CD1 4.34Å; I10-L170 HydrophobicContact CD1-CD2 4.32Å; I10-V173 HydrophobicContact CD1-CG2 4.11Å; I10-V173 HydrophobicContact CG1-CG2 4.36Å; I10-V173 HydrophobicContact CG2-CG2 3.51Å
11F97.1Very high93.8Very high0 Ų054.7 Ų54.70%028%0.278CS..EExtended strand (participates in β ladder)trans-79.6129.2169.4-64.4-71.1000109.5V9 S17 R18 T20 I22 I28 L30 F35 T37 L40 L57 V160 L161 V162V9-F11 HydrophobicContact CG2-CD2 3.99Å; V9-F11 HydrophobicContact CG2-CE1 4.11Å; V9-F11 HydrophobicContact CG2-CE2 3.45Å; V9-F11 VanDerWaalsContact CG2-CE2 3.45Å; V9-F11 HydrophobicContact CG2-CZ 3.51Å; F11-S17 CarbonylContact O-C 3.59Å; F11-S17 WeakPolarHBondContact O-CA 3.3Å; F11-R18 PolarHBondContact N-O 3.03Å; F11-R18 PolarHBondContact O-N 3Å; F11-T20 HydrophobicContact CE2-CG2 4.03Å; F11-I22 HydrophobicContact CE2-CD1 4.32Å; F11-I22 HydrophobicContact CZ-CD1 3.97Å; F11-I28 HydrophobicContact CD2-CG2 4.3Å; F11-I28 HydrophobicContact CE2-CG1 4.18Å; F11-I28 HydrophobicContact CE2-CG2 4.43Å; F11-L30 HydrophobicContact CB-CD2 3.75Å; F11-F35 HydrophobicContact CB-CZ 4.49Å; F11-F35 AromaticContact CD1-CE2 3.84Å; F11-F35 HydrophobicContact CD1-CE2 3.84Å; F11-F35 AromaticContact CD1-CZ 3.81Å; F11-F35 HydrophobicContact CD1-CZ 3.81Å; F11-F35 HydrophobicContact CD2-CE2 4.41Å; F11-F35 HydrophobicContact CD2-CZ 4.29Å; F11-F35 AromaticContact CE1-CE2 3.59Å; F11-F35 HydrophobicContact CE1-CE2 3.59Å; F11-F35 HydrophobicContact CE1-CZ 4.07Å; F11-F35 HydrophobicContact CE2-CE2 4.17Å; F11-F35 HydrophobicContact CE2-CZ 4.49Å; F11-F35 HydrophobicContact CG-CE2 4.26Å; F11-F35 AromaticContact CG-CZ 3.94Å; F11-F35 HydrophobicContact CG-CZ 3.94Å; F11-F35 AromaticContact CZ-CE2 3.77Å; F11-F35 HydrophobicContact CZ-CE2 3.77Å; F11-F35 HydrophobicContact CZ-CZ 4.4Å; F11-T37 HydrophobicContact CE2-CG2 4.46Å; F11-T37 HydrophobicContact CZ-CG2 3.99Å; F11-L40 HydrophobicContact CE1-CD1 3.54Å; F11-L40 HydrophobicContact CZ-CD1 3.52Å; F11-L57 HydrophobicContact CE1-CD1 4.49Å; F11-V160 HydrophobicContact CB-CG2 4.02Å; F11-V160 HydrophobicContact CD1-CG2 3.88Å; F11-V160 HydrophobicContact CG-CG2 4.41Å; F11-L161 CarbonylContact C-O 3.57Å; F11-L161 WeakPolarHBondContact CA-O 3.19Å; F11-V162 HydrophobicContact CD1-CG2 3.8Å; F11-V162 HydrophobicContact CE1-CG1 4.25Å; F11-V162 HydrophobicContact CE1-CG2 3.72Å
12K94Very high94.5Very high81 Ų8146.4 Ų46.435%0.35224%0.237SC..EExtended strand (participates in β ladder)trans-123.5128.4173.3177.9170.8-177.8175.40110.3L161 M163K12-L161 HydrophobicContact CB-CB 4.29Å; K12-L161 HydrophobicContact CD-CD2 4.48Å; K12-L161 PolarHBondContact N-O 3.2Å; K12-L161 PolarHBondContact O-N 3.04Å; K12-M163 HydrophobicContact CB-CE 3.72Å; K12-M163 HydrophobicContact CD-CE 3.92Å; K12-M163 HydrophobicContact CD-SD 4.32Å; K12-M163 HydrophobicContact CG-CE 4.47Å
13R91Very high94.6Very high16 Ų1642.4 Ų42.46%0.0622%0.224CC..EExtended strand (participates in β ladder)trans-142.3118.6176.4178.2179166.7121.82.5108.5N15 T16 L30 S33 S157R13-N15 PolarHBondContact O-N 2.9Å; R13-T16 PolarHBondContact N-O 3.5Å; R13-T16 PolarHBondContact O-N 3.42Å; R13-T16 VanDerWaalsContact O-O 3.14Å; R13-L30 HydrophobicContact CB-CD2 3.66Å; R13-L30 HydrophobicContact CB-CG 4.22Å; R13-S33 PolarHBondContact NH1-OG 3.15Å; R13-S33 PolarHBondContact NH2-OG 3.49Å; R13-S33 VanDerWaalsContact NH2-OG 3.09Å; R13-S157 PolarHBondContact NH1-O 2.78Å; R13-S157 PolarHBondContact NH2-O 3.21Å
14G82.5Confident94.5Very high34 Ų3449.2 Ų49.235%0.35125%0.25SC..THydrogen-bonded Turntrans55.8-121.4-171.500000111.2
15N81.9Confident94.4Very high124 Ų12448 Ų4866%0.66325%0.254SS*.THydrogen-bonded Turntrans-95.5-5.4179.3-66.80.5000112.7R13R13-N15 PolarHBondContact O-N 2.9Å
16T89.9Confident94.3Very high58 Ų5845.9 Ų45.936%0.35624%0.244SC..EExtended strand (participates in β ladder)trans-97.8132.8-176.9-53.90000110.4R13 L30 E31R13-T16 PolarHBondContact N-O 3.5Å; R13-T16 PolarHBondContact O-N 3.42Å; R13-T16 VanDerWaalsContact O-O 3.14Å; T16-L30 HydrophobicContact CG2-CD1 3.65Å; T16-E31 WeakPolarHBondContact CB-OE1 3.36Å; T16-E31 HydrophobicContact CG2-CG 4.24Å; T16-E31 VanDerWaalsContact OG1-CG 3.29Å; T16-E31 WeakPolarHBondContact OG1-CG 3.4Å; T16-E31 PolarHBondContact OG1-OE1 3.11Å
17S94.3Very high94.3Very high24 Ų2448.9 Ų48.917%0.16825%0.253CS..EExtended strand (participates in β ladder)trans-127.1150.1173.3-53.80000111.6F11F11-S17 CarbonylContact O-C 3.59Å; F11-S17 WeakPolarHBondContact O-CA 3.3Å
18R94.7Very high94.2Very high82 Ų8248.8 Ų48.831%0.30925%0.251SS..EExtended strand (participates in β ladder)trans-145.5118.6-178.5179.6179.3176.7167.61.7111.3F11 V29 L30F11-R18 PolarHBondContact N-O 3.03Å; F11-R18 PolarHBondContact O-N 3Å; R18-V29 PolarHBondContact NH1-O 3.04Å; R18-V29 VanDerWaalsContact NH1-O 3.08Å; R18-L30 HydrophobicContact CB-CD1 3.85Å
19L96.8Very high94Very high27 Ų2750.2 Ų50.214%0.14126%0.264CS..EExtended strand (participates in β ladder)trans-68.4133.5164.5-177.768.4000110.3Y8 V9 I10 P165 L170 V173 Y174 A246Y8-L19 HydrophobicContact CD1-CD1 4.12Å; Y8-L19 HydrophobicContact CD1-CD2 4.44Å; Y8-L19 HydrophobicContact CD1-CG 4.2Å; V9-L19 CarbonylContact O-C 3.43Å; V9-L19 WeakPolarHBondContact O-CA 3.47Å; I10-L19 HydrophobicContact CG1-CB 4.49Å; I10-L19 HydrophobicContact CG1-CD1 3.83Å; L19-P165 HydrophobicContact CD1-CG 3.97Å; L19-L170 HydrophobicContact CD1-CD2 4Å; L19-L170 HydrophobicContact CD2-CD2 3.87Å; L19-L170 HydrophobicContact CG-CD2 4.48Å; L19-V173 HydrophobicContact CB-CG1 4.28Å; L19-Y174 HydrophobicContact CD2-CE2 4.06Å; L19-A246 HydrophobicContact CD1-CB 4.11Å; L19-A246 HydrophobicContact CD2-CB 3.78Å
20T96.8Very high93.7Very high9 Ų950.6 Ų50.66%0.05527%0.266CS..EExtended strand (participates in β ladder)trans-147.7137.4-178.8-61.80000110.5Y8 V9 F11 I28Y8-T20 WeakPolarHBondContact CA-O 3.43Å; V9-T20 PolarHBondContact N-O 3.45Å; V9-T20 PolarHBondContact O-N 3.47Å; F11-T20 HydrophobicContact CE2-CG2 4.03Å; T20-I28 HydrophobicContact CG2-CD1 3.52Å; T20-I28 HydrophobicContact CG2-CG1 4.13Å
21R97.2Very high93.1Very high152 Ų15254 Ų5457%0.57428%0.281SS*.EExtended strand (participates in β ladder)trans-86.2123.4166.8-170.9177.2118-179.64109.3G6 Y8 Q26G6-R21 WeakPolarHBondContact O-CG 3.49Å; Y8-R21 HydrophobicContact CD1-CB 4.11Å; Y8-R21 HydrophobicContact CD2-CB 4.38Å; Y8-R21 HydrophobicContact CD2-CG 4.12Å; Y8-R21 HydrophobicContact CE1-CB 3.86Å; Y8-R21 HydrophobicContact CE1-CG 4.43Å; Y8-R21 HydrophobicContact CE2-CB 4.12Å; Y8-R21 HydrophobicContact CE2-CG 3.78Å; Y8-R21 HydrophobicContact CG-CB 4.38Å; R21-Q26 PolarHBondContact O-NE2 3.02Å; R21-Q26 PolarHBondContact O-OE1 3.32Å
22I97.1Very high92.5Very high1 Ų163.6 Ų63.61%0.00532%0.323CS..  trans-71.8134.6-177.3-61.1-55.2000110.6I3 G6 S7 V9 F11 T37 L40 I41I3-I22 HydrophobicContact CG2-CG1 4.05Å; G6-I22 WeakPolarHBondContact CA-O 3.37Å; G6-I22 PolarHBondContact N-O 2.84Å; S7-I22 WeakPolarHBondContact O-CB 3.45Å; S7-I22 WeakPolarHBondContact O-CG1 3.49Å; S7-I22 PolarHBondContact O-N 3.01Å; V9-I22 HydrophobicContact CB-CD1 4.47Å; V9-I22 HydrophobicContact CG1-CD1 4.13Å; V9-I22 HydrophobicContact CG1-CG1 3.8Å; V9-I22 HydrophobicContact CG2-CD1 3.47Å; V9-I22 VanDerWaalsContact CG2-CD1 3.47Å; V9-I22 HydrophobicContact CG2-CG1 3.98Å; F11-I22 HydrophobicContact CE2-CD1 4.32Å; F11-I22 HydrophobicContact CZ-CD1 3.97Å; I22-T37 HydrophobicContact CD1-CG2 4.12Å; I22-L40 HydrophobicContact CD1-CD1 4.04Å; I22-I41 HydrophobicContact CG2-CD1 4.44Å; I22-I41 HydrophobicContact CG2-CG1 4.08Å
23A96.3Very high92.3Very high36 Ų3661 Ų6130%0.29832%0.315SS..  trans-146.1147.9172.200000109.7Q26 T37A23-Q26 HydrophobicContact CB-CB 4.33Å; A23-Q26 WeakPolarHBondContact O-CB 3.47Å; A23-Q26 PolarHBondContact O-N 3.17Å; A23-T37 PolarHBondContact O-OG1 3.49Å
24R94.6Very high92.4Very high142 Ų14265.5 Ų65.554%0.53634%0.335SS..THydrogen-bonded Turntrans-62.9144.8177.4-69.1178.6-172.9-81.92.5111.7E5 Q26 I41E5-R24 PolarHBondContact OE1-N 3.45Å; E5-R24 WeakPolarHBondContact OE2-CD 3.31Å; E5-R24 IonicContact OE2-NE 2.63Å; E5-R24 PolarHBondContact OE2-NE 3.03Å; R24-Q26 PolarHBondContact O-N 2.92Å; R24-I41 HydrophobicContact CG-CD1 3.64Å
25G94.1Very high93Very high57 Ų5763.9 Ų63.959%0.58832%0.318SS*.THydrogen-bonded Turntrans68.73.1-176.200000115.1Q27 D38G25-Q27 PolarHBondContact O-N 3.32Å; G25-D38 PolarHBondContact N-OD1 3.5Å; G25-D38 PolarHBondContact N-OD2 3.37Å
26Q95.5Very high93.7Very high57 Ų5759.7 Ų59.727%0.26630%0.296SS..  trans-76.3122.5-179.4-173.6-17244.900110.8R21 A23 R24 I28 T37R21-Q26 PolarHBondContact O-NE2 3.02Å; R21-Q26 PolarHBondContact O-OE1 3.32Å; A23-Q26 HydrophobicContact CB-CB 4.33Å; A23-Q26 WeakPolarHBondContact O-CB 3.47Å; A23-Q26 PolarHBondContact O-N 3.17Å; R24-Q26 PolarHBondContact O-N 2.92Å; Q26-I28 HydrophobicContact CG-CD1 3.89Å; Q26-I28 HydrophobicContact CG-CG1 4.48Å; Q26-T37 PolarHBondContact O-N 2.96Å; Q26-T37 VanDerWaalsContact O-N 3.16Å; Q26-T37 PolarHBondContact O-OG1 3.15Å
27Q95.8Very high93.9Very high86 Ų8656.9 Ų56.940%0.40228%0.279SS..EExtended strand (participates in β ladder)trans-95.8127.3170.7-177.4169.580.400111G25 K34 F35 L36G25-Q27 PolarHBondContact O-N 3.32Å; Q27-K34 HydrophobicContact CG-CB 4.4Å; Q27-F35 CarbonylContact C-O 3.54Å; Q27-F35 WeakPolarHBondContact CA-O 3.49Å; Q27-L36 HydrophobicContact CB-CD2 4.02Å
28I94.8Very high93.9Very high3 Ų357.8 Ų57.82%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-106.1141.2177.5-59.5-58.8000110.1F11 T20 Q26 K34 F35 T37F11-I28 HydrophobicContact CD2-CG2 4.3Å; F11-I28 HydrophobicContact CE2-CG1 4.18Å; F11-I28 HydrophobicContact CE2-CG2 4.43Å; T20-I28 HydrophobicContact CG2-CD1 3.52Å; T20-I28 HydrophobicContact CG2-CG1 4.13Å; Q26-I28 HydrophobicContact CG-CD1 3.89Å; Q26-I28 HydrophobicContact CG-CG1 4.48Å; I28-K34 VanDerWaalsContact O-CA 3.32Å; I28-K34 WeakPolarHBondContact O-CA 3.36Å; I28-F35 HydrophobicContact CB-CD2 4.2Å; I28-F35 HydrophobicContact CB-CE1 4.46Å; I28-F35 HydrophobicContact CB-CE2 3.69Å; I28-F35 HydrophobicContact CB-CZ 3.84Å; I28-F35 HydrophobicContact CG1-CE2 4.33Å; I28-F35 HydrophobicContact CG2-CE1 4.25Å; I28-F35 HydrophobicContact CG2-CE2 3.98Å; I28-F35 HydrophobicContact CG2-CZ 3.63Å; I28-F35 PolarHBondContact N-O 3.2Å; I28-F35 PolarHBondContact O-N 3.03Å; I28-T37 HydrophobicContact CG1-CG2 3.61Å
29V93.7Very high93.9Very high66 Ų6657.2 Ų57.240%0.429%0.285SS..EExtended strand (participates in β ladder)trans-111.6124.3170.7-170.20000108.8R18 S33 K34R18-V29 PolarHBondContact NH1-O 3.04Å; R18-V29 VanDerWaalsContact NH1-O 3.08Å; V29-S33 VanDerWaalsContact CA-O 3.31Å; V29-S33 WeakPolarHBondContact CA-O 3.44Å; V29-K34 HydrophobicContact CG1-CG 4.48Å; V29-K34 HydrophobicContact CG2-CD 4.48Å; V29-K34 HydrophobicContact CG2-CG 4.06Å
30L91.6Very high93.9Very high8 Ų856 Ų564%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-141.4125.3175.9-169.467.3000109.2F11 R13 T16 R18 K32 S33 F35 V160F11-L30 HydrophobicContact CB-CD2 3.75Å; R13-L30 HydrophobicContact CB-CD2 3.66Å; R13-L30 HydrophobicContact CB-CG 4.22Å; T16-L30 HydrophobicContact CG2-CD1 3.65Å; R18-L30 HydrophobicContact CB-CD1 3.85Å; L30-K32 VanDerWaalsContact C-N 3.29Å; L30-K32 PolarHBondContact O-N 2.84Å; L30-S33 PolarHBondContact N-O 3.47Å; L30-S33 WeakPolarHBondContact O-CB 3.14Å; L30-S33 PolarHBondContact O-N 3.01Å; L30-F35 HydrophobicContact CB-CE1 4.02Å; L30-F35 HydrophobicContact CB-CZ 4.49Å; L30-V160 HydrophobicContact CD2-CG2 4.22Å
31E85.8Confident93.8Very high70 Ų7057.3 Ų57.333%0.32729%0.285SS..THydrogen-bonded Turntrans43.149.7-175.9-63-160.3154.900114.5T16 S33T16-E31 WeakPolarHBondContact CB-OE1 3.36Å; T16-E31 HydrophobicContact CG2-CG 4.24Å; T16-E31 VanDerWaalsContact OG1-CG 3.29Å; T16-E31 WeakPolarHBondContact OG1-CG 3.4Å; T16-E31 PolarHBondContact OG1-OE1 3.11Å; E31-S33 PolarHBondContact O-N 3.34Å; E31-S33 VanDerWaalsContact O-N 3.11Å
32K84.4Confident93.8Very high203 Ų20351.7 Ų51.788%0.88327%0.274SS*.THydrogen-bonded Turntrans67.7-0.8-178.8-50.3176.9177.2-177.90115.6L30L30-K32 VanDerWaalsContact C-N 3.29Å; L30-K32 PolarHBondContact O-N 2.84Å
33S88.8Confident93.7Very high26 Ų2654.8 Ų54.818%0.18229%0.289CS..EExtended strand (participates in β ladder)trans-91.5140.1172.6-61.30000110.3R13 V29 L30 E31R13-S33 PolarHBondContact NH1-OG 3.15Å; R13-S33 PolarHBondContact NH2-OG 3.49Å; R13-S33 VanDerWaalsContact NH2-OG 3.09Å; V29-S33 VanDerWaalsContact CA-O 3.31Å; V29-S33 WeakPolarHBondContact CA-O 3.44Å; L30-S33 PolarHBondContact N-O 3.47Å; L30-S33 WeakPolarHBondContact O-CB 3.14Å; L30-S33 PolarHBondContact O-N 3.01Å; E31-S33 PolarHBondContact O-N 3.34Å; E31-S33 VanDerWaalsContact O-N 3.11Å
34K93Very high93.7Very high110 Ų11055.6 Ų55.648%0.47829%0.291SS..EExtended strand (participates in β ladder)trans-116128.8180-56.9-170176.7-178.50108.7Q27 I28 V29 K55Q27-K34 HydrophobicContact CG-CB 4.4Å; I28-K34 VanDerWaalsContact O-CA 3.32Å; I28-K34 WeakPolarHBondContact O-CA 3.36Å; V29-K34 HydrophobicContact CG1-CG 4.48Å; V29-K34 HydrophobicContact CG2-CD 4.48Å; V29-K34 HydrophobicContact CG2-CG 4.06Å; K34-K55 HydrophobicContact CB-CD 4.46Å
35F95.2Very high93.8Very high0 Ų049.8 Ų49.80%027%0.269CS..EExtended strand (participates in β ladder)trans-142.6151.6177.855.4-93.1000111.4F11 Q27 I28 L30 I51 K55 L57 V160F11-F35 HydrophobicContact CB-CZ 4.49Å; F11-F35 AromaticContact CD1-CE2 3.84Å; F11-F35 HydrophobicContact CD1-CE2 3.84Å; F11-F35 AromaticContact CD1-CZ 3.81Å; F11-F35 HydrophobicContact CD1-CZ 3.81Å; F11-F35 HydrophobicContact CD2-CE2 4.41Å; F11-F35 HydrophobicContact CD2-CZ 4.29Å; F11-F35 AromaticContact CE1-CE2 3.59Å; F11-F35 HydrophobicContact CE1-CE2 3.59Å; F11-F35 HydrophobicContact CE1-CZ 4.07Å; F11-F35 HydrophobicContact CE2-CE2 4.17Å; F11-F35 HydrophobicContact CE2-CZ 4.49Å; F11-F35 HydrophobicContact CG-CE2 4.26Å; F11-F35 AromaticContact CG-CZ 3.94Å; F11-F35 HydrophobicContact CG-CZ 3.94Å; F11-F35 AromaticContact CZ-CE2 3.77Å; F11-F35 HydrophobicContact CZ-CE2 3.77Å; F11-F35 HydrophobicContact CZ-CZ 4.4Å; Q27-F35 CarbonylContact C-O 3.54Å; Q27-F35 WeakPolarHBondContact CA-O 3.49Å; I28-F35 HydrophobicContact CB-CD2 4.2Å; I28-F35 HydrophobicContact CB-CE1 4.46Å; I28-F35 HydrophobicContact CB-CE2 3.69Å; I28-F35 HydrophobicContact CB-CZ 3.84Å; I28-F35 HydrophobicContact CG1-CE2 4.33Å; I28-F35 HydrophobicContact CG2-CE1 4.25Å; I28-F35 HydrophobicContact CG2-CE2 3.98Å; I28-F35 HydrophobicContact CG2-CZ 3.63Å; I28-F35 PolarHBondContact N-O 3.2Å; I28-F35 PolarHBondContact O-N 3.03Å; L30-F35 HydrophobicContact CB-CE1 4.02Å; L30-F35 HydrophobicContact CB-CZ 4.49Å; F35-I51 HydrophobicContact CB-CG1 4.18Å; F35-I51 HydrophobicContact CB-CG2 4.02Å; F35-I51 HydrophobicContact CD1-CD1 3.8Å; F35-I51 HydrophobicContact CD1-CG1 4.2Å; F35-I51 HydrophobicContact CE1-CD1 4.43Å; F35-I51 HydrophobicContact CG-CD1 4.48Å; F35-I51 HydrophobicContact CG-CG1 4.41Å; F35-K55 CarbonylContact C-O 3.54Å; F35-K55 WeakPolarHBondContact CA-O 3.49Å; F35-K55 WeakPolarHBondContact CB-O 3.5Å; F35-L57 HydrophobicContact CB-CD2 3.91Å; F35-L57 HydrophobicContact CB-CG 4.29Å; F35-L57 HydrophobicContact CD2-CD1 3.72Å; F35-L57 HydrophobicContact CD2-CD2 4.13Å; F35-L57 HydrophobicContact CD2-CG 4.14Å; F35-L57 HydrophobicContact CE2-CD1 4.14Å; F35-L57 HydrophobicContact CG-CD1 4.46Å; F35-L57 HydrophobicContact CG-CD2 4.06Å; F35-L57 HydrophobicContact CG-CG 4.47Å; F35-V160 HydrophobicContact CZ-CG2 4.37Å
36L96.5Very high93.8Very high36 Ų3651.9 Ų51.919%0.18827%0.267CS..EExtended strand (participates in β ladder)trans-88.3148173.2-68.2171000109.5Q27 K55Q27-L36 HydrophobicContact CB-CD2 4.02Å; L36-K55 PolarHBondContact N-O 3.28Å
37T95.1Very high93.8Very high0 Ų052 Ų520%027%0.267CS..SBendtrans-99.7-4.9-175.657.90000113.6F11 I22 A23 Q26 I28 N39 L40F11-T37 HydrophobicContact CE2-CG2 4.46Å; F11-T37 HydrophobicContact CZ-CG2 3.99Å; I22-T37 HydrophobicContact CD1-CG2 4.12Å; A23-T37 PolarHBondContact O-OG1 3.49Å; Q26-T37 PolarHBondContact O-N 2.96Å; Q26-T37 VanDerWaalsContact O-N 3.16Å; Q26-T37 PolarHBondContact O-OG1 3.15Å; I28-T37 HydrophobicContact CG1-CG2 3.61Å; T37-N39 VanDerWaalsContact C-N 3.3Å; T37-N39 PolarHBondContact O-N 3.44Å; T37-L40 HydrophobicContact CG2-CD1 4.29Å; T37-L40 VanDerWaalsContact O-CB 3.3Å; T37-L40 WeakPolarHBondContact O-CB 2.84Å; T37-L40 PolarHBondContact O-N 3.31Å
38D95Very high93.8Very high43 Ų4348.3 Ų48.323%0.2325%0.25CS..G310 helixtrans-54.8-42.4-174.6-59.5-97.1000113G25 L40 I41G25-D38 PolarHBondContact N-OD1 3.5Å; G25-D38 PolarHBondContact N-OD2 3.37Å; D38-L40 PolarHBondContact O-N 2.89Å; D38-I41 PolarHBondContact O-N 2.96Å
39N94.7Very high93.9Very high70 Ų7048.2 Ų48.237%0.37425%0.25SC..G310 helixtrans-74.1-6.4-178.5-68.949.7000114.1T37 Q43 H56 L57T37-N39 VanDerWaalsContact C-N 3.3Å; T37-N39 PolarHBondContact O-N 3.44Å; N39-Q43 WeakPolarHBondContact O-CG 3.44Å; N39-H56 PolarHBondContact OD1-ND1 3.18Å; N39-L57 VanDerWaalsContact CB-O 3.22Å; N39-L57 WeakPolarHBondContact CB-O 3.43Å
40L95.7Very high93.9Very high0 Ų047.4 Ų47.40%024%0.242CC..G310 helixtrans-78.8-25173.8-62.7174.3000111.9I3 F11 I22 T37 D38 G42 Q43 F49 L57 V162I3-L40 WeakPolarHBondContact CB-O 3.42Å; I3-L40 HydrophobicContact CD1-CB 4.38Å; I3-L40 HydrophobicContact CG2-CB 4.37Å; F11-L40 HydrophobicContact CE1-CD1 3.54Å; F11-L40 HydrophobicContact CZ-CD1 3.52Å; I22-L40 HydrophobicContact CD1-CD1 4.04Å; T37-L40 HydrophobicContact CG2-CD1 4.29Å; T37-L40 VanDerWaalsContact O-CB 3.3Å; T37-L40 WeakPolarHBondContact O-CB 2.84Å; T37-L40 PolarHBondContact O-N 3.31Å; D38-L40 PolarHBondContact O-N 2.89Å; L40-G42 PolarHBondContact O-N 3.14Å; L40-Q43 WeakPolarHBondContact O-CB 3.36Å; L40-Q43 PolarHBondContact O-N 3.14Å; L40-F49 HydrophobicContact CD2-CD1 3.9Å; L40-F49 HydrophobicContact CD2-CD2 4.15Å; L40-F49 HydrophobicContact CD2-CE1 3.6Å; L40-F49 HydrophobicContact CD2-CE2 3.84Å; L40-F49 HydrophobicContact CD2-CG 4.17Å; L40-F49 HydrophobicContact CD2-CZ 3.57Å; L40-L57 HydrophobicContact CD1-CD1 3.84Å; L40-L57 HydrophobicContact CD2-CB 4.39Å; L40-L57 HydrophobicContact CD2-CD1 3.62Å; L40-L57 HydrophobicContact CG-CD1 3.76Å; L40-V162 HydrophobicContact CD2-CG1 4.49Å; L40-V162 HydrophobicContact CD2-CG2 3.97Å
41I96.1Very high94Very high37 Ų3748.1 Ų48.119%0.1925%0.245CC..THydrogen-bonded Turntrans-66.5124.7-178.9-61.1171.3000108.6I3 E5 I22 R24 D38I3-I41 WeakPolarHBondContact O-CA 3.25Å; E5-I41 HydrophobicContact CB-CD1 4.18Å; I22-I41 HydrophobicContact CG2-CD1 4.44Å; I22-I41 HydrophobicContact CG2-CG1 4.08Å; R24-I41 HydrophobicContact CG-CD1 3.64Å; D38-I41 PolarHBondContact O-N 2.96Å
42G95.6Very high94.2Very high34 Ų3446.8 Ų46.835%0.35124%0.24SC..THydrogen-bonded Turntrans88.2-3.4-173.400000114.5I3 L40I3-G42 PolarHBondContact O-N 2.83Å; L40-G42 PolarHBondContact O-N 3.14Å
43Q96.3Very high94.4Very high67 Ų6742.5 Ų42.531%0.31323%0.233SC..PPolyproline II helixtrans-91.1151.3176.3-60.9-65.7-29.100111.3E2 I3 N39 L40 F49E2-Q43 CarbonylContact C-O 3.49Å; E2-Q43 WeakPolarHBondContact CA-O 3.41Å; I3-Q43 WeakPolarHBondContact CG1-O 3.3Å; I3-Q43 PolarHBondContact N-O 3.34Å; N39-Q43 WeakPolarHBondContact O-CG 3.44Å; L40-Q43 WeakPolarHBondContact O-CB 3.36Å; L40-Q43 PolarHBondContact O-N 3.14Å; Q43-F49 HydrophobicContact CB-CE1 4.21Å; Q43-F49 HydrophobicContact CB-CZ 3.84Å; Q43-F49 HydrophobicContact CG-CE1 4.03Å; Q43-F49 HydrophobicContact CG-CZ 4.19Å
44P95.9Very high94.5Very high52 Ų5245.8 Ų45.834%0.33825%0.249SC..BIsolated β-bridgetrans-72.7152.6174.426.6-28.5000111.9Q47P44-Q47 HydrophobicContact CB-CG 4.43Å; P44-Q47 HydrophobicContact CG-CG 3.8Å
45Y96.1Very high94.5Very high20 Ų2044.9 Ų44.98%0.07825%0.245CC..SBendtrans-67.2164.9168.6-72.3-90.2000112.2M1 I3 S7 Y8 V9 Q47 K164M1-Y45 WeakPolarHBondContact O-CD2 3.35Å; I3-Y45 HydrophobicContact CB-CE2 4.49Å; I3-Y45 HydrophobicContact CD1-CD1 4.27Å; I3-Y45 HydrophobicContact CD1-CG 4.46Å; I3-Y45 HydrophobicContact CG1-CD1 3.89Å; I3-Y45 HydrophobicContact CG1-CD2 3.83Å; I3-Y45 HydrophobicContact CG1-CE1 3.86Å; I3-Y45 HydrophobicContact CG1-CE2 3.73Å; I3-Y45 HydrophobicContact CG1-CG 3.92Å; S7-Y45 VanDerWaalsContact CB-OH 3.27Å; S7-Y45 WeakPolarHBondContact CB-OH 3.46Å; S7-Y45 PolarHBondContact OG-OH 2.84Å; Y8-Y45 WeakPolarHBondContact O-CE1 3.48Å; Y8-Y45 PolarHBondContact O-OH 2.63Å; V9-Y45 HydrophobicContact CB-CE1 4.49Å; V9-Y45 HydrophobicContact CG1-CD1 4.33Å; V9-Y45 HydrophobicContact CG1-CE1 3.71Å; Y45-Q47 VanDerWaalsContact C-N 3.29Å; Y45-Q47 PolarHBondContact O-N 3.23Å; Y45-K164 HydrophobicContact CD1-CB 3.53Å; Y45-K164 HydrophobicContact CD1-CG 3.98Å; Y45-K164 HydrophobicContact CD2-CB 4.49Å; Y45-K164 HydrophobicContact CD2-CG 4.47Å; Y45-K164 HydrophobicContact CE1-CB 4.05Å; Y45-K164 HydrophobicContact CE1-CG 4.02Å; Y45-K164 HydrophobicContact CG-CB 3.75Å; Y45-K164 HydrophobicContact CG-CG 4.17Å
46N95.3Very high94.4Very high101 Ų10147.4 Ų47.454%0.5426%0.256SS..SBendtrans64.530.4175.4-51.3-36.1000113.7V162 M163 K164N46-V162 WeakPolarHBondContact CA-O 3.44Å; N46-V162 PolarHBondContact N-O 2.82Å; N46-M163 WeakPolarHBondContact OD1-CA 3.44Å; N46-K164 PolarHBondContact OD1-N 3.37Å
47Q95.3Very high94.4Very high61 Ų6145.8 Ų45.829%0.28525%0.248SC..EExtended strand (participates in β ladder)trans-104.9152.8175.7-61.2-58.5-22.600111.9P44 Y45 F49 V162P44-Q47 HydrophobicContact CB-CG 4.43Å; P44-Q47 HydrophobicContact CG-CG 3.8Å; Y45-Q47 VanDerWaalsContact C-N 3.29Å; Y45-Q47 PolarHBondContact O-N 3.23Å; Q47-F49 HydrophobicContact CB-CD2 4.29Å; Q47-F49 HydrophobicContact CB-CE2 3.62Å; Q47-F49 HydrophobicContact CB-CZ 4.12Å; Q47-F49 WeakPolarHBondContact O-CD2 3.49Å; Q47-V162 PolarHBondContact N-O 3.39Å; Q47-V162 PolarHBondContact O-N 3.38Å
48L95.5Very high94.4Very high8 Ų849.9 Ų49.94%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-86.8135.6169.6-169.272.3000109C60 L65 F68 Y159 L161L48-C60 HydrophobicContact CB-CB 4.29Å; L48-C60 HydrophobicContact CD2-CB 4.5Å; L48-C60 WeakPolarHBondContact O-CB 3.45Å; L48-C60 PolarHBondContact O-N 3.33Å; L48-C60 PolarHBondContact O-SG 2.92Å; L48-L65 HydrophobicContact CB-CD1 4.04Å; L48-L65 HydrophobicContact CD2-CD1 3.93Å; L48-F68 HydrophobicContact CD1-CD1 4.31Å; L48-F68 HydrophobicContact CD1-CE1 4.12Å; L48-F68 HydrophobicContact CD1-CZ 4.41Å; L48-F68 HydrophobicContact CD2-CB 3.73Å; L48-F68 HydrophobicContact CD2-CD1 3.52Å; L48-F68 HydrophobicContact CD2-CD2 4.13Å; L48-F68 HydrophobicContact CD2-CE1 4.17Å; L48-F68 HydrophobicContact CD2-CG 3.5Å; L48-F68 VanDerWaalsContact CD2-CG 3.5Å; L48-Y159 HydrophobicContact CD2-CD1 3.94Å; L48-Y159 HydrophobicContact CD2-CG 4.24Å; L48-Y159 HydrophobicContact CG-CD1 4.15Å; L48-Y159 HydrophobicContact CG-CG 4.49Å; L48-L161 HydrophobicContact CD1-CB 4.31Å
49F95.8Very high94.4Very high0 Ų049.6 Ų49.60%027%0.268CS..EExtended strand (participates in β ladder)trans-123.4140.9176.8-67.8-101.6000110.6L40 Q43 Q47 L57 Q58 C59 Y159 V160 V162L40-F49 HydrophobicContact CD2-CD1 3.9Å; L40-F49 HydrophobicContact CD2-CD2 4.15Å; L40-F49 HydrophobicContact CD2-CE1 3.6Å; L40-F49 HydrophobicContact CD2-CE2 3.84Å; L40-F49 HydrophobicContact CD2-CG 4.17Å; L40-F49 HydrophobicContact CD2-CZ 3.57Å; Q43-F49 HydrophobicContact CB-CE1 4.21Å; Q43-F49 HydrophobicContact CB-CZ 3.84Å; Q43-F49 HydrophobicContact CG-CE1 4.03Å; Q43-F49 HydrophobicContact CG-CZ 4.19Å; Q47-F49 HydrophobicContact CB-CD2 4.29Å; Q47-F49 HydrophobicContact CB-CE2 3.62Å; Q47-F49 HydrophobicContact CB-CZ 4.12Å; Q47-F49 WeakPolarHBondContact O-CD2 3.49Å; F49-L57 HydrophobicContact CB-CB 4.14Å; F49-L57 HydrophobicContact CB-CD2 4.22Å; F49-L57 HydrophobicContact CD1-CB 3.9Å; F49-L57 HydrophobicContact CG-CB 4.32Å; F49-Q58 CarbonylContact C-O 3.5Å; F49-Q58 WeakPolarHBondContact CA-O 3.4Å; F49-C59 HydrophobicContact CD1-CB 4.05Å; F49-C59 HydrophobicContact CE1-CB 3.68Å; F49-C59 HydrophobicContact CZ-CB 4.24Å; F49-Y159 CarbonylContact O-C 3.57Å; F49-Y159 VanDerWaalsContact O-CA 3.26Å; F49-Y159 WeakPolarHBondContact O-CA 3.37Å; F49-V160 HydrophobicContact CB-CG1 4.09Å; F49-V160 PolarHBondContact N-O 3.14Å; F49-V160 PolarHBondContact O-N 3.36Å; F49-V162 HydrophobicContact CD2-CB 4Å; F49-V162 HydrophobicContact CD2-CG2 3.42Å; F49-V162 VanDerWaalsContact CD2-CG2 3.42Å; F49-V162 HydrophobicContact CE2-CB 3.81Å; F49-V162 HydrophobicContact CE2-CG2 3.67Å; F49-V162 HydrophobicContact CG-CG2 4.3Å
50E93.7Very high94.4Very high50 Ų5046.9 Ų46.923%0.23425%0.254CS..EExtended strand (participates in β ladder)trans-87137.1166.1-169.1-179.4-170.600110.3L57 Q58 A158 Y159E50-L57 WeakPolarHBondContact O-CA 3.2Å; E50-Q58 PolarHBondContact N-O 2.93Å; E50-Q58 PolarHBondContact O-N 3.2Å; E50-A158 HydrophobicContact CG-CB 3.9Å; E50-Y159 HydrophobicContact CB-CD1 4.05Å; E50-Y159 HydrophobicContact CB-CE1 3.9Å; E50-Y159 HydrophobicContact CG-CD1 4.39Å; E50-Y159 HydrophobicContact CG-CE1 4.09Å
51I93.8Very high94.2Very high23 Ų2350.5 Ų50.512%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-87104.9171.1-58.7162.4000108F35 L57 A158 V160F35-I51 HydrophobicContact CB-CG1 4.18Å; F35-I51 HydrophobicContact CB-CG2 4.02Å; F35-I51 HydrophobicContact CD1-CD1 3.8Å; F35-I51 HydrophobicContact CD1-CG1 4.2Å; F35-I51 HydrophobicContact CE1-CD1 4.43Å; F35-I51 HydrophobicContact CG-CD1 4.48Å; F35-I51 HydrophobicContact CG-CG1 4.41Å; I51-L57 HydrophobicContact CB-CD2 4.32Å; I51-L57 HydrophobicContact CG1-CD2 3.57Å; I51-A158 VanDerWaalsContact CB-O 3.28Å; I51-A158 WeakPolarHBondContact CB-O 3.47Å; I51-A158 VanDerWaalsContact CG1-O 3.23Å; I51-A158 WeakPolarHBondContact CG1-O 3.37Å; I51-A158 PolarHBondContact N-O 3.34Å; I51-V160 HydrophobicContact CD1-CG1 4.46Å; I51-V160 HydrophobicContact CG1-CG1 4.21Å
52L91.4Very high94Very high41 Ų4157 Ų5722%0.21531%0.306CS..  trans-71.4162.2179.3-60.8-178.6000111.9N54 K55 H56 Q58L52-N54 VanDerWaalsContact CB-OD1 3.29Å; L52-N54 WeakPolarHBondContact CB-OD1 3.35Å; L52-N54 PolarHBondContact O-N 3.22Å; L52-K55 WeakPolarHBondContact O-CA 3.35Å; L52-K55 PolarHBondContact O-N 2.98Å; L52-H56 WeakPolarHBondContact CB-O 3.44Å; L52-H56 PolarHBondContact N-O 3Å; L52-Q58 HydrophobicContact CD1-CB 4.05Å; L52-Q58 HydrophobicContact CD2-CB 4.25Å; L52-Q58 HydrophobicContact CG-CB 4.15Å
53P88.3Confident93.8Very high113 Ų11359.9 Ų59.973%0.73432%0.317SS*.THydrogen-bonded Turntrans-57.3-31.3177.7-27.735.9000114.5K55P53-K55 PolarHBondContact O-N 3.13Å
54N90.4Very high93.5Very high96 Ų9658.9 Ų58.951%0.51331%0.312SS..THydrogen-bonded Turntrans-76.43.4174.268.12.5000113.4L52 H56L52-N54 VanDerWaalsContact CB-OD1 3.29Å; L52-N54 WeakPolarHBondContact CB-OD1 3.35Å; L52-N54 PolarHBondContact O-N 3.22Å; N54-H56 PolarHBondContact O-N 2.7Å; N54-H56 WeakPolarHBondContact OD1-CB 3.45Å; N54-H56 PolarHBondContact OD1-N 2.9Å
55K92.4Very high93.2Very high91 Ų9159.2 Ų59.240%0.39631%0.311SS..SBendtrans70.92.5-178.1-52.4174.6-173.1162.20114.9K34 F35 L36 L52 P53K34-K55 HydrophobicContact CB-CD 4.46Å; F35-K55 CarbonylContact C-O 3.54Å; F35-K55 WeakPolarHBondContact CA-O 3.49Å; F35-K55 WeakPolarHBondContact CB-O 3.5Å; L36-K55 PolarHBondContact N-O 3.28Å; L52-K55 WeakPolarHBondContact O-CA 3.35Å; L52-K55 PolarHBondContact O-N 2.98Å; P53-K55 PolarHBondContact O-N 3.13Å
56H94.3Very high92.8Very high52 Ų5261 Ų6124%0.24133%0.33CS..  trans-74.9158.1170.8-70.5-91.2000110.5N39 L52 N54N39-H56 PolarHBondContact OD1-ND1 3.18Å; L52-H56 WeakPolarHBondContact CB-O 3.44Å; L52-H56 PolarHBondContact N-O 3Å; N54-H56 PolarHBondContact O-N 2.7Å; N54-H56 WeakPolarHBondContact OD1-CB 3.45Å; N54-H56 PolarHBondContact OD1-N 2.9Å
57L95.3Very high92.3Very high3 Ų361.9 Ų61.92%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-98.4136.3176.8-64.9178.4000109.9F11 F35 N39 L40 F49 E50 I51 V160F11-L57 HydrophobicContact CE1-CD1 4.49Å; F35-L57 HydrophobicContact CB-CD2 3.91Å; F35-L57 HydrophobicContact CB-CG 4.29Å; F35-L57 HydrophobicContact CD2-CD1 3.72Å; F35-L57 HydrophobicContact CD2-CD2 4.13Å; F35-L57 HydrophobicContact CD2-CG 4.14Å; F35-L57 HydrophobicContact CE2-CD1 4.14Å; F35-L57 HydrophobicContact CG-CD1 4.46Å; F35-L57 HydrophobicContact CG-CD2 4.06Å; F35-L57 HydrophobicContact CG-CG 4.47Å; N39-L57 VanDerWaalsContact CB-O 3.22Å; N39-L57 WeakPolarHBondContact CB-O 3.43Å; L40-L57 HydrophobicContact CD1-CD1 3.84Å; L40-L57 HydrophobicContact CD2-CB 4.39Å; L40-L57 HydrophobicContact CD2-CD1 3.62Å; L40-L57 HydrophobicContact CG-CD1 3.76Å; F49-L57 HydrophobicContact CB-CB 4.14Å; F49-L57 HydrophobicContact CB-CD2 4.22Å; F49-L57 HydrophobicContact CD1-CB 3.9Å; F49-L57 HydrophobicContact CG-CB 4.32Å; E50-L57 WeakPolarHBondContact O-CA 3.2Å; I51-L57 HydrophobicContact CB-CD2 4.32Å; I51-L57 HydrophobicContact CG1-CD2 3.57Å; L57-V160 HydrophobicContact CD1-CG1 4.38Å; L57-V160 HydrophobicContact CD2-CG1 3.75Å
58Q94.7Very high91.9Very high86 Ų8660.8 Ų60.840%0.40233%0.325SS..EExtended strand (participates in β ladder)trans-117.3127.6171.4177.1174.7-3500108.8F49 E50 L52 C60F49-Q58 CarbonylContact C-O 3.5Å; F49-Q58 WeakPolarHBondContact CA-O 3.4Å; E50-Q58 PolarHBondContact N-O 2.93Å; E50-Q58 PolarHBondContact O-N 3.2Å; L52-Q58 HydrophobicContact CD1-CB 4.05Å; L52-Q58 HydrophobicContact CD2-CB 4.25Å; L52-Q58 HydrophobicContact CG-CB 4.15Å; Q58-C60 PolarHBondContact O-N 2.98Å
59C95.6Very high91.4Very high37 Ų3763.4 Ų63.425%0.2534%0.339CS..EExtended strand (participates in β ladder)trans-65.1129174.8-171.50000108.9F49F49-C59 HydrophobicContact CD1-CB 4.05Å; F49-C59 HydrophobicContact CE1-CB 3.68Å; F49-C59 HydrophobicContact CZ-CB 4.24Å
60C94.3Very high90.7Very high13 Ų1370 Ų709%0.08837%0.367CS..PPolyproline II helixtrans-68.6143.1176.2-63.80000110.4L48 Q58 E64L48-C60 HydrophobicContact CB-CB 4.29Å; L48-C60 HydrophobicContact CD2-CB 4.5Å; L48-C60 WeakPolarHBondContact O-CB 3.45Å; L48-C60 PolarHBondContact O-N 3.33Å; L48-C60 PolarHBondContact O-SG 2.92Å; Q58-C60 PolarHBondContact O-N 2.98Å; C60-E64 VanDerWaalsContact CA-OE2 3.3Å; C60-E64 WeakPolarHBondContact CA-OE2 3.26Å; C60-E64 HydrophobicContact CB-CB 3.95Å
61T93.2Very high89.9Confident75 Ų7568.8 Ų68.846%0.4637%0.365SS..PPolyproline II helixtrans-69.7164166.261.60000110.8T63 E64 L65T61-T63 PolarHBondContact O-N 3.3Å; T61-E64 PolarHBondContact N-OE2 3.38Å; T61-E64 PolarHBondContact O-N 2.9Å; T61-E64 VanDerWaalsContact OG1-CD 3.32Å; T61-E64 WeakPolarHBondContact OG1-CG 3.42Å; T61-E64 PolarHBondContact OG1-N 3.26Å; T61-E64 PolarHBondContact OG1-OE2 3.27Å; T61-L65 PolarHBondContact O-N 2.98Å
62E91.2Very high88.9Confident174 Ų17470 Ų7081%0.81337%0.37SS*.Hα-helixtrans-57.3-35.5175.6-65.7-177.3170.700112.3L65 A66E62-L65 PolarHBondContact O-N 3.17Å; E62-A66 WeakPolarHBondContact O-CB 3.32Å; E62-A66 PolarHBondContact O-N 3.37Å
63T91.2Very high87.8Confident95 Ų9570.5 Ų70.558%0.58339%0.385SS*.Hα-helixtrans-66.6-46177.1-51.10000112T61 L65 A66 Q67T61-T63 PolarHBondContact O-N 3.3Å; T63-L65 VanDerWaalsContact C-N 3.34Å; T63-A66 PolarHBondContact O-N 3.45Å; T63-Q67 VanDerWaalsContact O-CG 3.31Å; T63-Q67 WeakPolarHBondContact O-CG 3.38Å; T63-Q67 PolarHBondContact O-N 3.09Å
64E89.3Confident86.5Confident46 Ų4672 Ų7222%0.21538%0.38CS..Hα-helixtrans-65-39177-71.4162.2157.100111.3C60 T61 Q67 F68C60-E64 VanDerWaalsContact CA-OE2 3.3Å; C60-E64 WeakPolarHBondContact CA-OE2 3.26Å; C60-E64 HydrophobicContact CB-CB 3.95Å; T61-E64 PolarHBondContact N-OE2 3.38Å; T61-E64 PolarHBondContact O-N 2.9Å; T61-E64 VanDerWaalsContact OG1-CD 3.32Å; T61-E64 WeakPolarHBondContact OG1-CG 3.42Å; T61-E64 PolarHBondContact OG1-N 3.26Å; T61-E64 PolarHBondContact OG1-OE2 3.27Å; E64-Q67 PolarHBondContact O-N 2.85Å; E64-F68 WeakPolarHBondContact O-CB 3.44Å; E64-F68 PolarHBondContact O-N 3.14Å
65L89.2Confident84.7Confident59 Ų5971.5 Ų71.531%0.30938%0.378SS..Hα-helixtrans-61.7-46.9173.5177.561000111.4L48 T61 E62 T63 Q67 F68 L69L48-L65 HydrophobicContact CB-CD1 4.04Å; L48-L65 HydrophobicContact CD2-CD1 3.93Å; T61-L65 PolarHBondContact O-N 2.98Å; E62-L65 PolarHBondContact O-N 3.17Å; T63-L65 VanDerWaalsContact C-N 3.34Å; L65-Q67 VanDerWaalsContact C-N 3.32Å; L65-Q67 PolarHBondContact O-N 3.38Å; L65-F68 WeakPolarHBondContact O-CB 3.31Å; L65-F68 PolarHBondContact O-N 2.99Å; L65-L69 HydrophobicContact CD1-CD1 4.29Å; L65-L69 HydrophobicContact CD1-CG 4.15Å; L65-L69 HydrophobicContact CG-CD1 4.19Å; L65-L69 HydrophobicContact CG-CG 4.44Å; L65-L69 WeakPolarHBondContact O-CG 3.45Å; L65-L69 PolarHBondContact O-N 3.5Å
66A88.4Confident82.5Confident58 Ų5871.7 Ų71.748%0.47940%0.396SS..Hα-helixtrans-61.1-41.2177.600000112E62 T63 L69 K70E62-A66 WeakPolarHBondContact O-CB 3.32Å; E62-A66 PolarHBondContact O-N 3.37Å; T63-A66 PolarHBondContact O-N 3.45Å; A66-L69 PolarHBondContact O-N 3.11Å; A66-K70 WeakPolarHBondContact O-CB 3.48Å; A66-K70 PolarHBondContact O-N 3.04Å
67Q85.3Confident79.9Confident119 Ų11976 Ų7656%0.55642%0.421SS*.Hα-helixtrans-62.4-44.1173.7-72.1173.1-0.100111.7T63 E64 L65 K70 S71T63-Q67 VanDerWaalsContact O-CG 3.31Å; T63-Q67 WeakPolarHBondContact O-CG 3.38Å; T63-Q67 PolarHBondContact O-N 3.09Å; E64-Q67 PolarHBondContact O-N 2.85Å; L65-Q67 VanDerWaalsContact C-N 3.32Å; L65-Q67 PolarHBondContact O-N 3.38Å; Q67-K70 PolarHBondContact O-N 3.36Å; Q67-S71 WeakPolarHBondContact O-CB 3.26Å; Q67-S71 PolarHBondContact O-N 3.33Å
68F85.8Confident77.1Confident38 Ų3879.3 Ų79.317%0.16746%0.456CS..Hα-helixtrans-60.9-48.6176.2174.9-98.1000111.8L48 E64 L65 K70 S71 E72 Y159L48-F68 HydrophobicContact CD1-CD1 4.31Å; L48-F68 HydrophobicContact CD1-CE1 4.12Å; L48-F68 HydrophobicContact CD1-CZ 4.41Å; L48-F68 HydrophobicContact CD2-CB 3.73Å; L48-F68 HydrophobicContact CD2-CD1 3.52Å; L48-F68 HydrophobicContact CD2-CD2 4.13Å; L48-F68 HydrophobicContact CD2-CE1 4.17Å; L48-F68 HydrophobicContact CD2-CG 3.5Å; L48-F68 VanDerWaalsContact CD2-CG 3.5Å; E64-F68 WeakPolarHBondContact O-CB 3.44Å; E64-F68 PolarHBondContact O-N 3.14Å; L65-F68 WeakPolarHBondContact O-CB 3.31Å; L65-F68 PolarHBondContact O-N 2.99Å; F68-K70 PolarHBondContact O-N 3.15Å; F68-S71 WeakPolarHBondContact O-CA 3.41Å; F68-S71 WeakPolarHBondContact O-CB 3.3Å; F68-S71 PolarHBondContact O-N 3.14Å; F68-S71 PolarHBondContact O-OG 3.13Å; F68-E72 HydrophobicContact CE1-CG 3.97Å; F68-E72 HydrophobicContact CE2-CG 4.06Å; F68-E72 HydrophobicContact CZ-CG 3.72Å; F68-E72 PolarHBondContact O-N 2.75Å; F68-Y159 AromaticContact CD2-CD2 3.52Å; F68-Y159 HydrophobicContact CD2-CD2 3.52Å; F68-Y159 HydrophobicContact CD2-CE2 4.03Å; F68-Y159 AromaticContact CD2-CG 3.92Å; F68-Y159 HydrophobicContact CD2-CG 3.92Å; F68-Y159 AromaticContact CE2-CD2 3.88Å; F68-Y159 HydrophobicContact CE2-CD2 3.88Å; F68-Y159 HydrophobicContact CE2-CG 4.17Å
69L85.3Confident74.3Confident63 Ų6380 Ų8033%0.3347%0.466SS..Hα-helixtrans-60.5-45.2178.8-68.3177.3000111.7L65 A66 S71 E72 G73 F74L65-L69 HydrophobicContact CD1-CD1 4.29Å; L65-L69 HydrophobicContact CD1-CG 4.15Å; L65-L69 HydrophobicContact CG-CD1 4.19Å; L65-L69 HydrophobicContact CG-CG 4.44Å; L65-L69 WeakPolarHBondContact O-CG 3.45Å; L65-L69 PolarHBondContact O-N 3.5Å; A66-L69 PolarHBondContact O-N 3.11Å; L69-S71 VanDerWaalsContact C-N 3.26Å; L69-S71 PolarHBondContact O-N 2.83Å; L69-E72 PolarHBondContact O-N 3.05Å; L69-E72 VanDerWaalsContact O-N 3.13Å; L69-G73 PolarHBondContact O-N 2.93Å; L69-G73 VanDerWaalsContact O-N 3.16Å; L69-F74 CarbonylContact C-O 3.55Å; L69-F74 HydrophobicContact CB-CB 4.29Å; L69-F74 PolarHBondContact O-N 3.33Å
70K81.2Confident71.5Confident137 Ų13783.8 Ų83.860%0.59648%0.484SS*.Hα-helixtrans-58.3-40.6173.2-170.8176.6-174.4175.20111.5A66 Q67 F68 E72 G73A66-K70 WeakPolarHBondContact O-CB 3.48Å; A66-K70 PolarHBondContact O-N 3.04Å; Q67-K70 PolarHBondContact O-N 3.36Å; F68-K70 PolarHBondContact O-N 3.15Å; K70-E72 VanDerWaalsContact C-N 3.29Å; K70-E72 PolarHBondContact O-N 3.08Å; K70-G73 PolarHBondContact O-N 3.42Å; K70-G73 VanDerWaalsContact O-N 3.13Å
71S76.7Confident68.7Low26 Ų2689.7 Ų89.718%0.18251%0.51CS..Hα-helixtrans-66.9-28.6178.8870000113.6Q67 F68 L69 G73 R153Q67-S71 WeakPolarHBondContact O-CB 3.26Å; Q67-S71 PolarHBondContact O-N 3.33Å; F68-S71 WeakPolarHBondContact O-CA 3.41Å; F68-S71 WeakPolarHBondContact O-CB 3.3Å; F68-S71 PolarHBondContact O-N 3.14Å; F68-S71 PolarHBondContact O-OG 3.13Å; L69-S71 VanDerWaalsContact C-N 3.26Å; L69-S71 PolarHBondContact O-N 2.83Å; S71-G73 VanDerWaalsContact C-N 3.33Å; S71-R153 PolarHBondContact O-NH1 2.89Å
72E73.8Confident65.9Low48 Ų4890 Ų9022%0.22451%0.514CS..Hα-helixtrans-85.1-5.6175.3-71.3-63160.600112.9F68 L69 K70 F74 Q150F68-E72 HydrophobicContact CE1-CG 3.97Å; F68-E72 HydrophobicContact CE2-CG 4.06Å; F68-E72 HydrophobicContact CZ-CG 3.72Å; F68-E72 PolarHBondContact O-N 2.75Å; L69-E72 PolarHBondContact O-N 3.05Å; L69-E72 VanDerWaalsContact O-N 3.13Å; K70-E72 VanDerWaalsContact C-N 3.29Å; K70-E72 PolarHBondContact O-N 3.08Å; E72-F74 HydrophobicContact CB-CD2 3.89Å; E72-F74 HydrophobicContact CB-CE2 4.21Å; E72-Q150 PolarHBondContact O-NE2 3.02Å; E72-Q150 PolarHBondContact OE2-NE2 3.44Å
73G67.5Low63.2Low52 Ų5287.3 Ų87.354%0.53651%0.506SS..THydrogen-bonded Turntrans88.217.6178.600000114.3L69 K70 S71L69-G73 PolarHBondContact O-N 2.93Å; L69-G73 VanDerWaalsContact O-N 3.16Å; K70-G73 PolarHBondContact O-N 3.42Å; K70-G73 VanDerWaalsContact O-N 3.13Å; S71-G73 VanDerWaalsContact C-N 3.33Å
74F61.8Low60.5Low144 Ų14490.3 Ų90.363%0.63251%0.513SS*.  trans-95.697.6170.4-65.5-83000109L69 E72 A76L69-F74 CarbonylContact C-O 3.55Å; L69-F74 HydrophobicContact CB-CB 4.29Å; L69-F74 PolarHBondContact O-N 3.33Å; E72-F74 HydrophobicContact CB-CD2 3.89Å; E72-F74 HydrophobicContact CB-CE2 4.21Å; F74-A76 PolarHBondContact O-N 3.09Å
75D52.1Low57.8Low85 Ų8596.6 Ų96.646%0.45555%0.547SS..  trans-81.3108.7169.7-71.6-35.1000108.8N77 G78D75-N77 PolarHBondContact O-N 3.04Å; D75-G78 PolarHBondContact O-N 2.87Å; D75-G78 VanDerWaalsContact O-N 3.14Å
76A45.7Very low55.2Low96 Ų9698.7 Ų98.779%0.79356%0.563SS**THydrogen-bonded Turntrans-58.7-15.1-17600000114.1F74F74-A76 PolarHBondContact O-N 3.09Å
77N40.2Very low52.5Low141 Ų141102.2 Ų102.275%0.75457%0.573SS**THydrogen-bonded Turntrans-90.2-8.3-178.5-73.8-19.9000114.1D75 V79D75-N77 PolarHBondContact O-N 3.04Å; N77-V79 HydrophobicContact CB-CB 4.45Å; N77-V79 HydrophobicContact CB-CG2 4.33Å; N77-V79 WeakPolarHBondContact O-CG2 3.28Å; N77-V79 PolarHBondContact O-N 3.05Å
78G37.6Very low50.3Low73 Ų73107.2 Ų107.275%0.75359%0.589SS**  trans56.42-176.700000114.6D75 D80D75-G78 PolarHBondContact O-N 2.87Å; D75-G78 VanDerWaalsContact O-N 3.14Å; G78-D80 PolarHBondContact O-N 2.86Å
79V34.3Very low47.9Very low102 Ų102109.3 Ų109.362%0.61861%0.608SS**  trans-84.5100.3171.2-177.50000104N77 Q81N77-V79 HydrophobicContact CB-CB 4.45Å; N77-V79 HydrophobicContact CB-CG2 4.33Å; N77-V79 WeakPolarHBondContact O-CG2 3.28Å; N77-V79 PolarHBondContact O-N 3.05Å; V79-Q81 VanDerWaalsContact C-N 3.28Å; V79-Q81 PolarHBondContact O-N 2.92Å
80D38.2Very low45.6Very low115 Ų115112.7 Ų112.762%0.61563%0.627SS**  trans-3198.3149.9-97.5-17.8000108.8G78 C82G78-D80 PolarHBondContact O-N 2.86Å; D80-C82 HydrophobicContact CB-CB 4.02Å; D80-C82 PolarHBondContact O-N 3.02Å; D80-C82 PolarHBondContact OD2-SG 3.21Å
81Q34.5Very low43.6Very low137 Ų137114.5 Ų114.564%0.6464%0.637SS**  trans-72.962.8142.2-77.8-174.7-11.100106.5V79 D83V79-Q81 VanDerWaalsContact C-N 3.28Å; V79-Q81 PolarHBondContact O-N 2.92Å; Q81-D83 PolarHBondContact O-N 2.52Å
82C34.5Very low41.9Very low81 Ų81120.7 Ų120.755%0.54767%0.668SS.*  trans-64.757136.9-680000106.9D80 E84D80-C82 HydrophobicContact CB-CB 4.02Å; D80-C82 PolarHBondContact O-N 3.02Å; D80-C82 PolarHBondContact OD2-SG 3.21Å; C82-E84 PolarHBondContact O-N 3.16Å; C82-E84 VanDerWaalsContact O-N 3.1Å
83D34.4Very low40.4Very low119 Ų119122.2 Ų122.264%0.63668%0.683SS**  trans-66.8108.8161.4-83.8-28.5000104.4Q81Q81-D83 PolarHBondContact O-N 2.52Å
84E34.3Very low39.1Very low158 Ų158129 Ų12974%0.73870%0.701SS**  trans7594.6175.6-58.2-176.817000115.7C82 T86C82-E84 PolarHBondContact O-N 3.16Å; C82-E84 VanDerWaalsContact O-N 3.1Å; E84-T86 HydrophobicContact CB-CG2 4.33Å; E84-T86 PolarHBondContact O-N 2.84Å
85L33.8Very low38.1Very low177 Ų177125.2 Ų125.293%0.92769%0.692SS**  trans-47.672.3137.4-72.9150.6000110D87L85-D87 VanDerWaalsContact C-N 3.29Å; L85-D87 PolarHBondContact O-N 3.29Å
86T34Very low37.8Very low104 Ų104129.4 Ų129.464%0.63872%0.715SS**  trans-91.182.9156.737.60000107.1E84 Y88E84-T86 HydrophobicContact CB-CG2 4.33Å; E84-T86 PolarHBondContact O-N 2.84Å; T86-Y88 PolarHBondContact O-N 2.81Å
87D32.2Very low37.8Very low132 Ų132129.5 Ų129.571%0.70671%0.706SS**  trans-18.6116.9149.1-155.517.5000112.1L85 S89L85-D87 VanDerWaalsContact C-N 3.29Å; L85-D87 PolarHBondContact O-N 3.29Å; D87-S89 PolarHBondContact O-N 3.05Å
88Y38.1Very low38.5Very low223 Ų223129.9 Ų129.988%0.87571%0.706SS**SBendtrans22.967152.4-66.7-94.6000117.1T86T86-Y88 PolarHBondContact O-N 2.81Å
89S35.2Very low39.3Very low83 Ų83130 Ų13058%0.5869%0.692SS**  trans-132.862.2161.476.40000111.5D87 Q91D87-S89 PolarHBondContact O-N 3.05Å; S89-Q91 PolarHBondContact O-N 2.92Å
90D37.5Very low40.2Very low134 Ų134127.8 Ų127.872%0.71769%0.685SS**  trans-67.961.8152.3-122.2-0.4000107.8L92D90-L92 VanDerWaalsContact C-N 3.33Å
91Q38.5Very low41Very low174 Ų174131.3 Ų131.381%0.81370%0.697SS**  trans-94.414.9177.9-74-164.36.600112.5S89S89-Q91 PolarHBondContact O-N 2.92Å
92L41.7Very low42Very low157 Ų157131 Ų13182%0.82270%0.696SS**SBendtrans-126.8102.6167.7-79.9154.5000109.3D90D90-L92 VanDerWaalsContact C-N 3.33Å
93S43Very low43.3Very low79 Ų79136.9 Ų136.955%0.55272%0.715SS**  trans76.958.5177.177.20000118.4S95S93-S95 PolarHBondContact O-N 3.36Å
94Q40.2Very low44.9Very low194 Ų194135.7 Ų135.791%0.90772%0.715SS**  trans-65.671.7131.3-78.5-174.8-0.600108.9
95S40.5Very low47.1Very low65 Ų65129.8 Ų129.846%0.45569%0.689SS.*SBendtrans-151119.2157.647.20000104.2S93 T97S93-S95 PolarHBondContact O-N 3.36Å; S95-T97 WeakPolarHBondContact CB-OG1 3.35Å; S95-T97 PolarHBondContact O-N 3.45Å; S95-T97 PolarHBondContact O-OG1 3.41Å; S95-T97 PolarHBondContact OG-OG1 3.04Å
96D44.6Very low49.7Very low173 Ų173124 Ų12493%0.92566%0.657SS**  trans-60.156.6163.7-71.1-47.8000109.7I98D96-I98 PolarHBondContact O-N 3.42Å
97T47.2Very low52.4Low98 Ų98123 Ų12360%0.60165%0.651SS**  trans-75.893174.8-41.10000103.6S95 V99S95-T97 WeakPolarHBondContact CB-OG1 3.35Å; S95-T97 PolarHBondContact O-N 3.45Å; S95-T97 PolarHBondContact O-OG1 3.41Å; S95-T97 PolarHBondContact OG-OG1 3.04Å; T97-V99 VanDerWaalsContact C-N 3.32Å; T97-V99 PolarHBondContact O-N 3.17Å
98I53.5Low55.1Low149 Ų149117.7 Ų117.776%0.76462%0.623SS**  trans-38.3102.9166.5-62.1164.6000106.1D96 A100D96-I98 PolarHBondContact O-N 3.42Å; I98-A100 PolarHBondContact O-N 3.17Å
99V55.5Low57.6Low75 Ų75109.4 Ų109.446%0.45560%0.598SS.*  trans-67.893.9170.8176.60000102.9T97 E101T97-V99 VanDerWaalsContact C-N 3.32Å; T97-V99 PolarHBondContact O-N 3.17Å; V99-E101 PolarHBondContact O-N 2.79Å
100A52Low60.2Low56 Ų56112.9 Ų112.946%0.46360%0.603SS.*  trans-50.2121.318000000107.2I98 Q102I98-A100 PolarHBondContact O-N 3.17Å; A100-Q102 HydrophobicContact CB-CG 4.44Å; A100-Q102 PolarHBondContact O-N 2.76Å
101E54.9Low62.7Low189 Ų189111.9 Ų111.988%0.88360%0.597SS**  trans-69.877.1177.1-71.4-167.1153.500108.5V99V99-E101 PolarHBondContact O-N 2.79Å
102Q57.5Low65.3Low131 Ų131108.5 Ų108.561%0.61258%0.582SS**  trans-77126.7169-67.7-178.5-18.400107.5A100 C104 N105A100-Q102 HydrophobicContact CB-CG 4.44Å; A100-Q102 PolarHBondContact O-N 2.76Å; Q102-C104 PolarHBondContact O-N 3.16Å; Q102-N105 PolarHBondContact O-N 3.16Å; Q102-N105 PolarHBondContact O-ND2 3.4Å
103Q60.5Low67.6Low204 Ų204102.5 Ų102.595%0.95355%0.55SS**THydrogen-bonded Turntrans-54.7-16.4176-79.5177.1-17.200112.7
104C67.5Low69.7Low94 Ų94104.7 Ų104.764%0.63555%0.55SS*.THydrogen-bonded Turntrans-95.418.2-177.5-50.20000114.8Q102 Q106Q102-C104 PolarHBondContact O-N 3.16Å; C104-Q106 PolarHBondContact O-N 2.85Å
105N81.3Confident72.2Confident35 Ų3598.9 Ų98.919%0.18753%0.531CS..SBendtrans-67.8-13.3-177.3-91.8-40.2000115.3Q102 S134 L135Q102-N105 PolarHBondContact O-N 3.16Å; Q102-N105 PolarHBondContact O-ND2 3.4Å; N105-S134 WeakPolarHBondContact O-CA 3.41Å; N105-L135 PolarHBondContact O-N 3.33Å
106Q87.9Confident74.5Confident55 Ų5597.8 Ų97.826%0.25752%0.52SS..BIsolated β-bridgetrans-117.9121.7177.1177.957.3-101.400108.1C104 V108 L130 G133 Y148C104-Q106 PolarHBondContact O-N 2.85Å; Q106-V108 HydrophobicContact CG-CB 4.46Å; Q106-V108 VanDerWaalsContact OE1-N 3.14Å; Q106-L130 HydrophobicContact CG-CD2 4.49Å; Q106-L130 PolarHBondContact NE2-O 3.31Å; Q106-G133 VanDerWaalsContact OE1-C 3.22Å; Q106-G133 PolarHBondContact OE1-O 3.22Å; Q106-G133 VanDerWaalsContact OE1-O 3.09Å; Q106-Y148 PolarHBondContact NE2-OH 3.45Å
107T90.6Very high76.5Confident83 Ų8394.7 Ų94.751%0.50950%0.498SS..  trans-84.7-24.6-179.759.10000112.6S109 G133 L135T107-S109 PolarHBondContact O-N 3.41Å; T107-G133 PolarHBondContact N-O 2.88Å; T107-G133 WeakPolarHBondContact OG1-CA 3.22Å; T107-G133 PolarHBondContact OG1-O 3.13Å; T107-G133 VanDerWaalsContact OG1-O 3.06Å; T107-L135 HydrophobicContact CG2-CD1 4.25Å; T107-L135 HydrophobicContact CG2-CD2 3.93Å; T107-L135 HydrophobicContact CG2-CG 4Å
108V89.6Confident78.3Confident21 Ų2194.7 Ų94.713%0.12750%0.502CS..SBendtrans-72.3119.9179.2-171.30000109.8Q106 E112 L113 V129Q106-V108 HydrophobicContact CG-CB 4.46Å; Q106-V108 VanDerWaalsContact OE1-N 3.14Å; V108-E112 WeakPolarHBondContact CA-OE2 3.47Å; V108-E112 HydrophobicContact CG1-CB 3.96Å; V108-L113 HydrophobicContact CG1-CD1 4.49Å; V108-L113 HydrophobicContact CG1-CD2 3.8Å; V108-L113 HydrophobicContact CG1-CG 3.71Å; V108-V129 HydrophobicContact CG1-CG1 4.2Å; V108-V129 HydrophobicContact CG2-CG1 3.82Å
109S90.6Very high80Confident48 Ų4891.9 Ų91.934%0.33650%0.495SS..  trans-73.5163.6-178.173.80000112.5T107 D111 E112 L113T107-S109 PolarHBondContact O-N 3.41Å; S109-D111 VanDerWaalsContact C-N 3.28Å; S109-D111 PolarHBondContact O-N 3.15Å; S109-E112 PolarHBondContact N-OE2 3.44Å; S109-E112 WeakPolarHBondContact OG-CB 3.41Å; S109-E112 VanDerWaalsContact OG-CG 3.23Å; S109-E112 WeakPolarHBondContact OG-CG 3.33Å; S109-E112 PolarHBondContact OG-N 3.02Å; S109-E112 VanDerWaalsContact OG-N 3.12Å; S109-E112 PolarHBondContact OG-OE2 3.12Å; S109-L113 WeakPolarHBondContact O-CG 3.46Å; S109-L113 PolarHBondContact O-N 2.96Å; S109-L113 VanDerWaalsContact O-N 3.11Å
110F88.7Confident81.3Confident157 Ų15790.1 Ų90.169%0.68949%0.493SS*.Hα-helixtrans-61.8-38.7174.4176.9-96.5000112L113 K114F110-L113 PolarHBondContact O-N 3.1Å; F110-K114 HydrophobicContact CE1-CD 4.42Å; F110-K114 WeakPolarHBondContact O-CB 3.35Å; F110-K114 PolarHBondContact O-N 3.24Å
111D91.8Very high82.9Confident112 Ų11288.7 Ų88.760%0.59948%0.481SS*.Hα-helixtrans-71.3-38.1-178.5-66.5-39.7000112S109 K114 S115S109-D111 VanDerWaalsContact C-N 3.28Å; S109-D111 PolarHBondContact O-N 3.15Å; D111-K114 WeakPolarHBondContact O-CB 3.31Å; D111-K114 PolarHBondContact O-N 3.44Å; D111-S115 PolarHBondContact O-N 2.84Å
112E92Very high84.4Confident104 Ų10482 Ų8249%0.48646%0.455SS..Hα-helixtrans-62-42.4170.8-74.6166.6173.500111.9V108 S109 K114 S115 L116V108-E112 WeakPolarHBondContact CA-OE2 3.47Å; V108-E112 HydrophobicContact CG1-CB 3.96Å; S109-E112 PolarHBondContact N-OE2 3.44Å; S109-E112 WeakPolarHBondContact OG-CB 3.41Å; S109-E112 VanDerWaalsContact OG-CG 3.23Å; S109-E112 WeakPolarHBondContact OG-CG 3.33Å; S109-E112 PolarHBondContact OG-N 3.02Å; S109-E112 VanDerWaalsContact OG-N 3.12Å; S109-E112 PolarHBondContact OG-OE2 3.12Å; E112-K114 VanDerWaalsContact C-N 3.26Å; E112-K114 PolarHBondContact O-N 2.77Å; E112-S115 PolarHBondContact O-N 2.7Å; E112-S115 PolarHBondContact O-OG 2.91Å; E112-L116 WeakPolarHBondContact O-CB 3.41Å; E112-L116 PolarHBondContact O-N 3.29Å
113L89.7Confident85.7Confident31 Ų3176.6 Ų76.616%0.16243%0.434CS..Hα-helixtrans-66.2-31.7175.2-71.9171.6000112.5V108 S109 F110 K117 I126 L130V108-L113 HydrophobicContact CG1-CD1 4.49Å; V108-L113 HydrophobicContact CG1-CD2 3.8Å; V108-L113 HydrophobicContact CG1-CG 3.71Å; S109-L113 WeakPolarHBondContact O-CG 3.46Å; S109-L113 PolarHBondContact O-N 2.96Å; S109-L113 VanDerWaalsContact O-N 3.11Å; F110-L113 PolarHBondContact O-N 3.1Å; L113-K117 VanDerWaalsContact O-CG 3.27Å; L113-K117 WeakPolarHBondContact O-CG 3.48Å; L113-K117 PolarHBondContact O-N 2.76Å; L113-I126 HydrophobicContact CD2-CG2 4.12Å; L113-L130 HydrophobicContact CD1-CD2 3.91Å; L113-L130 HydrophobicContact CD2-CD1 4.35Å; L113-L130 HydrophobicContact CD2-CD2 3.78Å; L113-L130 HydrophobicContact CD2-CG 3.95Å; L113-L130 HydrophobicContact CG-CD2 4.42Å
114K88.3Confident86.9Confident125 Ų12570.7 Ų70.754%0.54341%0.409SS..Hα-helixtrans-72.5-40.8176.7-172.6-177.8176.1-171.10110.8F110 D111 E112 S118F110-K114 HydrophobicContact CE1-CD 4.42Å; F110-K114 WeakPolarHBondContact O-CB 3.35Å; F110-K114 PolarHBondContact O-N 3.24Å; D111-K114 WeakPolarHBondContact O-CB 3.31Å; D111-K114 PolarHBondContact O-N 3.44Å; E112-K114 VanDerWaalsContact C-N 3.26Å; E112-K114 PolarHBondContact O-N 2.77Å; K114-S118 WeakPolarHBondContact O-CB 3.32Å; K114-S118 PolarHBondContact O-N 3.39Å; K114-S118 PolarHBondContact O-OG 3.5Å
115S91.3Very high88Confident72 Ų7270.3 Ų70.350%0.50340%0.401SS..Hα-helixtrans-65.9-44.7176.269.30000111.2D111 E112 K117 S118 S119D111-S115 PolarHBondContact O-N 2.84Å; E112-S115 PolarHBondContact O-N 2.7Å; E112-S115 PolarHBondContact O-OG 2.91Å; S115-K117 VanDerWaalsContact C-N 3.31Å; S115-K117 PolarHBondContact O-N 3.5Å; S115-S118 CarbonylContact O-C 3.44Å; S115-S118 WeakPolarHBondContact O-CA 3.38Å; S115-S118 WeakPolarHBondContact O-CB 3.43Å; S115-S118 PolarHBondContact O-N 2.68Å; S115-S119 PolarHBondContact O-N 3Å
116L90.3Very high88.5Confident42 Ų4269 Ų6922%0.2239%0.394CS..Hα-helixtrans-60.9-37.9178.2-172.463.4000112.7E112 S119 A121 I126 V129E112-L116 WeakPolarHBondContact O-CB 3.41Å; E112-L116 PolarHBondContact O-N 3.29Å; L116-S119 PolarHBondContact O-OG 3.37Å; L116-A121 HydrophobicContact CD1-CB 3.49Å; L116-A121 VanDerWaalsContact CD1-CB 3.49Å; L116-A121 HydrophobicContact CG-CB 3.64Å; L116-A121 VanDerWaalsContact O-CB 3.25Å; L116-A121 WeakPolarHBondContact O-CB 3.22Å; L116-A121 PolarHBondContact O-N 2.85Å; L116-I126 HydrophobicContact CD2-CB 4.36Å; L116-I126 HydrophobicContact CD2-CG1 3.81Å; L116-I126 HydrophobicContact CG-CG1 4.06Å; L116-V129 HydrophobicContact CD2-CB 4.17Å; L116-V129 HydrophobicContact CD2-CG1 4.24Å; L116-V129 HydrophobicContact CD2-CG2 4.01Å
117K86.2Confident88.7Confident108 Ų10866.5 Ų66.547%0.4738%0.383SS..Hα-helixtrans-68-38.3171.7-75.3175.5178.2-168.40112.7L113 S115 S119 G120 I126 H156L113-K117 VanDerWaalsContact O-CG 3.27Å; L113-K117 WeakPolarHBondContact O-CG 3.48Å; L113-K117 PolarHBondContact O-N 2.76Å; S115-K117 VanDerWaalsContact C-N 3.31Å; S115-K117 PolarHBondContact O-N 3.5Å; K117-S119 VanDerWaalsContact C-N 3.3Å; K117-G120 PolarHBondContact O-N 3.47Å; K117-I126 HydrophobicContact CG-CD1 3.72Å; K117-H156 WeakPolarHBondContact CE-ND1 3.17Å
118S85.4Confident88.8Confident97 Ų9767.1 Ų67.168%0.67838%0.379SS*.Hα-helixtrans-72.3-26.5-178.6-54.90000111.9K114 S115 G120K114-S118 WeakPolarHBondContact O-CB 3.32Å; K114-S118 PolarHBondContact O-N 3.39Å; K114-S118 PolarHBondContact O-OG 3.5Å; S115-S118 CarbonylContact O-C 3.44Å; S115-S118 WeakPolarHBondContact O-CA 3.38Å; S115-S118 WeakPolarHBondContact O-CB 3.43Å; S115-S118 PolarHBondContact O-N 2.68Å; S118-G120 PolarHBondContact O-N 2.73Å
119S88.4Confident89Confident90 Ų9068.7 Ų68.763%0.62939%0.389SS*.THydrogen-bonded Turntrans-77.1-4.117367.50000113.7S115 L116 K117S115-S119 PolarHBondContact O-N 3Å; L116-S119 PolarHBondContact O-OG 3.37Å; K117-S119 VanDerWaalsContact C-N 3.3Å
120G83.6Confident89.1Confident39 Ų3966.5 Ų66.540%0.40237%0.374SS..THydrogen-bonded Turntrans80.321.3179.700000114.8K117 S118K117-G120 PolarHBondContact O-N 3.47Å; S118-G120 PolarHBondContact O-N 2.73Å
121A85.8Confident89.4Confident26 Ų2660.1 Ų60.122%0.21535%0.347CS..  trans-60144.9175.300000111.4L116 D125 I126L116-A121 HydrophobicContact CD1-CB 3.49Å; L116-A121 VanDerWaalsContact CD1-CB 3.49Å; L116-A121 HydrophobicContact CG-CB 3.64Å; L116-A121 VanDerWaalsContact O-CB 3.25Å; L116-A121 WeakPolarHBondContact O-CB 3.22Å; L116-A121 PolarHBondContact O-N 2.85Å; A121-D125 HydrophobicContact CB-CB 4.27Å; A121-I126 HydrophobicContact CB-CG1 4.33Å
122S84.9Confident89.5Confident48 Ų4860.3 Ų60.334%0.33635%0.347SS..  trans-67.1160.8-178.275.10000111.5D124 D125 I126S122-D124 PolarHBondContact O-N 3.24Å; S122-D125 WeakPolarHBondContact CB-OD2 3.39Å; S122-D125 PolarHBondContact N-OD2 2.86Å; S122-D125 PolarHBondContact O-N 3.25Å; S122-D125 PolarHBondContact OG-N 3.5Å; S122-D125 VanDerWaalsContact OG-N 3.09Å; S122-D125 PolarHBondContact OG-OD2 2.79Å; S122-I126 WeakPolarHBondContact O-CG1 3.44Å; S122-I126 PolarHBondContact O-N 2.97Å; S122-I126 VanDerWaalsContact O-N 3.11Å
123G84.9Confident89.5Confident18 Ų1855.7 Ų55.719%0.18633%0.328CS..Hα-helixtrans-56-37.9174.300000112.5V127 H156G123-V127 WeakPolarHBondContact O-CG2 3.24Å; G123-V127 PolarHBondContact O-N 2.9Å; G123-V127 VanDerWaalsContact O-N 3.09Å; G123-H156 WeakPolarHBondContact CA-O 3.18Å
124D86.3Confident89.6Confident79 Ų7954.8 Ų54.842%0.42232%0.324SS..Hα-helixtrans-73.5-37.4179.1-77.9-45.2000112.6S122 I126 V127 Q128 R153S122-D124 PolarHBondContact O-N 3.24Å; D124-I126 VanDerWaalsContact C-N 3.3Å; D124-I126 PolarHBondContact O-N 3.3Å; D124-V127 WeakPolarHBondContact O-CB 3.2Å; D124-V127 PolarHBondContact O-N 3.21Å; D124-V127 VanDerWaalsContact O-N 3.11Å; D124-Q128 PolarHBondContact O-N 3.45Å; D124-R153 IonicContact OD1-CZ 2.7Å; D124-R153 IonicContact OD1-NE 3.98Å; D124-R153 PolarHBondContact OD1-NE 2.89Å; D124-R153 VanDerWaalsContact OD1-NE 3.17Å; D124-R153 IonicContact OD1-NH2 2.99Å
125D90.4Very high89.7Confident86 Ų8653.9 Ų53.946%0.4632%0.324SS..Hα-helixtrans-60.2-43.7173.5-61-39.6000110.9A121 S122 V127 Q128 V129A121-D125 HydrophobicContact CB-CB 4.27Å; S122-D125 WeakPolarHBondContact CB-OD2 3.39Å; S122-D125 PolarHBondContact N-OD2 2.86Å; S122-D125 PolarHBondContact O-N 3.25Å; S122-D125 PolarHBondContact OG-N 3.5Å; S122-D125 VanDerWaalsContact OG-N 3.09Å; S122-D125 PolarHBondContact OG-OD2 2.79Å; D125-V127 VanDerWaalsContact C-N 3.29Å; D125-V127 PolarHBondContact O-N 3.37Å; D125-Q128 PolarHBondContact O-N 3.04Å; D125-V129 WeakPolarHBondContact O-CG2 3.47Å; D125-V129 PolarHBondContact O-N 2.87Å
126I91.4Very high89.5Confident7 Ų750.8 Ų50.84%0.03630%0.303CS..Hα-helixtrans-63-39.3176.5-62.8163.6000110.6L113 L116 K117 A121 S122 D124 L130 H156L113-I126 HydrophobicContact CD2-CG2 4.12Å; L116-I126 HydrophobicContact CD2-CB 4.36Å; L116-I126 HydrophobicContact CD2-CG1 3.81Å; L116-I126 HydrophobicContact CG-CG1 4.06Å; K117-I126 HydrophobicContact CG-CD1 3.72Å; A121-I126 HydrophobicContact CB-CG1 4.33Å; S122-I126 WeakPolarHBondContact O-CG1 3.44Å; S122-I126 PolarHBondContact O-N 2.97Å; S122-I126 VanDerWaalsContact O-N 3.11Å; D124-I126 VanDerWaalsContact C-N 3.3Å; D124-I126 PolarHBondContact O-N 3.3Å; I126-L130 HydrophobicContact CG2-CD1 3.98Å; I126-L130 HydrophobicContact CG2-CG 4.49Å; I126-L130 WeakPolarHBondContact O-CB 3.47Å; I126-L130 WeakPolarHBondContact O-CD1 3.08Å; I126-L130 WeakPolarHBondContact O-CG 3.47Å; I126-L130 PolarHBondContact O-N 3.05Å; I126-H156 HydrophobicContact CG2-CB 4.45Å; I126-H156 WeakPolarHBondContact CG2-ND1 3.3Å
127V91.7Very high89.5Confident4 Ų450.6 Ų50.62%0.02430%0.3CS..Hα-helixtrans-64.6-42.6176.71710000110.6G123 D124 D125 L130 I131 V149 K152 R153G123-V127 WeakPolarHBondContact O-CG2 3.24Å; G123-V127 PolarHBondContact O-N 2.9Å; G123-V127 VanDerWaalsContact O-N 3.09Å; D124-V127 WeakPolarHBondContact O-CB 3.2Å; D124-V127 PolarHBondContact O-N 3.21Å; D124-V127 VanDerWaalsContact O-N 3.11Å; D125-V127 VanDerWaalsContact C-N 3.29Å; D125-V127 PolarHBondContact O-N 3.37Å; V127-L130 WeakPolarHBondContact O-CB 3.33Å; V127-L130 PolarHBondContact O-N 3.05Å; V127-I131 HydrophobicContact CG1-CD1 3.88Å; V127-I131 HydrophobicContact CG1-CG1 4.47Å; V127-I131 VanDerWaalsContact O-CG1 3.29Å; V127-I131 WeakPolarHBondContact O-CG1 3.22Å; V127-I131 PolarHBondContact O-N 2.94Å; V127-V149 HydrophobicContact CG1-CG1 4.15Å; V127-K152 HydrophobicContact CG1-CB 4.22Å; V127-K152 HydrophobicContact CG2-CB 3.84Å; V127-R153 HydrophobicContact CG1-CG 4.32Å; V127-R153 HydrophobicContact CG2-CG 3.92Å
128Q92.9Very high89.6Confident95 Ų9554.6 Ų54.644%0.44432%0.317SS..Hα-helixtrans-63.7-49179.1-172.554.745.500111.5D124 D125 L130 I131 D132D124-Q128 PolarHBondContact O-N 3.45Å; D125-Q128 PolarHBondContact O-N 3.04Å; Q128-L130 PolarHBondContact O-N 3.1Å; Q128-I131 WeakPolarHBondContact O-CA 3.32Å; Q128-I131 WeakPolarHBondContact O-CB 3.34Å; Q128-I131 PolarHBondContact O-N 3.44Å; Q128-D132 VanDerWaalsContact NE2-CG 3.34Å; Q128-D132 PolarHBondContact NE2-OD1 3.49Å; Q128-D132 PolarHBondContact NE2-OD2 3.09Å; Q128-D132 PolarHBondContact O-N 2.86Å
129V94.1Very high89.8Confident55 Ų5557.5 Ų57.533%0.33331%0.313SS..Hα-helixtrans-56.1-39.7174.2170.30000111.6V108 L116 D125 I131 D132 G133V108-V129 HydrophobicContact CG1-CG1 4.2Å; V108-V129 HydrophobicContact CG2-CG1 3.82Å; L116-V129 HydrophobicContact CD2-CB 4.17Å; L116-V129 HydrophobicContact CD2-CG1 4.24Å; L116-V129 HydrophobicContact CD2-CG2 4.01Å; D125-V129 WeakPolarHBondContact O-CG2 3.47Å; D125-V129 PolarHBondContact O-N 2.87Å; V129-I131 VanDerWaalsContact C-N 3.35Å; V129-D132 PolarHBondContact O-N 3.49Å; V129-G133 PolarHBondContact O-N 3.29Å
130L93.9Very high89.8Confident2 Ų255.9 Ų55.91%0.0129%0.294CS..Hα-helixtrans-71.8-24.6176.7-76.8171.6000114.5Q106 L113 I126 V127 Q128 Y148 K152Q106-L130 HydrophobicContact CG-CD2 4.49Å; Q106-L130 PolarHBondContact NE2-O 3.31Å; L113-L130 HydrophobicContact CD1-CD2 3.91Å; L113-L130 HydrophobicContact CD2-CD1 4.35Å; L113-L130 HydrophobicContact CD2-CD2 3.78Å; L113-L130 HydrophobicContact CD2-CG 3.95Å; L113-L130 HydrophobicContact CG-CD2 4.42Å; I126-L130 HydrophobicContact CG2-CD1 3.98Å; I126-L130 HydrophobicContact CG2-CG 4.49Å; I126-L130 WeakPolarHBondContact O-CB 3.47Å; I126-L130 WeakPolarHBondContact O-CD1 3.08Å; I126-L130 WeakPolarHBondContact O-CG 3.47Å; I126-L130 PolarHBondContact O-N 3.05Å; V127-L130 WeakPolarHBondContact O-CB 3.33Å; V127-L130 PolarHBondContact O-N 3.05Å; Q128-L130 PolarHBondContact O-N 3.1Å; L130-Y148 PolarHBondContact O-OH 3.43Å; L130-K152 HydrophobicContact CD1-CD 3.96Å; L130-K152 HydrophobicContact CD1-CG 4.38Å
131I93.5Very high90.1Very high23 Ų2357.6 Ų57.612%0.11830%0.297CS..Hα-helixtrans-74.4-49172.5-72.5164.6000108.6V127 Q128 V129 G133 S134 Y137 Y148 V149V127-I131 HydrophobicContact CG1-CD1 3.88Å; V127-I131 HydrophobicContact CG1-CG1 4.47Å; V127-I131 VanDerWaalsContact O-CG1 3.29Å; V127-I131 WeakPolarHBondContact O-CG1 3.22Å; V127-I131 PolarHBondContact O-N 2.94Å; Q128-I131 WeakPolarHBondContact O-CA 3.32Å; Q128-I131 WeakPolarHBondContact O-CB 3.34Å; Q128-I131 PolarHBondContact O-N 3.44Å; V129-I131 VanDerWaalsContact C-N 3.35Å; I131-G133 VanDerWaalsContact C-N 3.34Å; I131-G133 PolarHBondContact O-N 3.19Å; I131-S134 WeakPolarHBondContact O-CB 3.42Å; I131-S134 PolarHBondContact O-N 2.58Å; I131-Y137 HydrophobicContact CG1-CE2 4.24Å; I131-Y137 HydrophobicContact CG2-CD1 3.62Å; I131-Y137 HydrophobicContact CG2-CE1 3.5Å; I131-Y137 VanDerWaalsContact CG2-CE1 3.5Å; I131-Y137 HydrophobicContact CG2-CE2 4.45Å; I131-Y137 HydrophobicContact CG2-CG 4.14Å; I131-Y148 HydrophobicContact CG1-CD1 4.43Å; I131-Y148 HydrophobicContact CG1-CE1 4.11Å; I131-V149 HydrophobicContact CD1-CG2 3.8Å; I131-V149 HydrophobicContact CG1-CG2 4.4Å
132D93.8Very high90.2Very high115 Ų11561.1 Ų61.162%0.61531%0.313SS*.Hα-helixtrans-64.9-36.8-176.7-64.7-27.7000112.2Q128 V129 S134Q128-D132 VanDerWaalsContact NE2-CG 3.34Å; Q128-D132 PolarHBondContact NE2-OD1 3.49Å; Q128-D132 PolarHBondContact NE2-OD2 3.09Å; Q128-D132 PolarHBondContact O-N 2.86Å; V129-D132 PolarHBondContact O-N 3.49Å; D132-S134 VanDerWaalsContact C-N 3.26Å; D132-S134 PolarHBondContact O-N 2.99Å
133G92.6Very high90.3Very high7 Ų762.5 Ų62.57%0.07232%0.316CS..THydrogen-bonded Turntrans-77.9-0.4174.100000115.7Q106 T107 V129 I131 L135Q106-G133 VanDerWaalsContact OE1-C 3.22Å; Q106-G133 PolarHBondContact OE1-O 3.22Å; Q106-G133 VanDerWaalsContact OE1-O 3.09Å; T107-G133 PolarHBondContact N-O 2.88Å; T107-G133 WeakPolarHBondContact OG1-CA 3.22Å; T107-G133 PolarHBondContact OG1-O 3.13Å; T107-G133 VanDerWaalsContact OG1-O 3.06Å; V129-G133 PolarHBondContact O-N 3.29Å; I131-G133 VanDerWaalsContact C-N 3.34Å; I131-G133 PolarHBondContact O-N 3.19Å; G133-L135 PolarHBondContact O-N 3.2Å
134S92.1Very high90.5Very high12 Ų1263.3 Ų63.38%0.08432%0.321CS..BIsolated β-bridgetrans-93.1104.8-178-1740000112.3N105 I131 D132 S136 Y137N105-S134 WeakPolarHBondContact O-CA 3.41Å; I131-S134 WeakPolarHBondContact O-CB 3.42Å; I131-S134 PolarHBondContact O-N 2.58Å; D132-S134 VanDerWaalsContact C-N 3.26Å; D132-S134 PolarHBondContact O-N 2.99Å; S134-S136 PolarHBondContact O-N 2.94Å; S134-S136 VanDerWaalsContact O-N 3.11Å; S134-Y137 PolarHBondContact O-N 3.14Å; S134-Y137 VanDerWaalsContact O-N 3.07Å
135L89.3Confident90.7Very high106 Ų10662 Ų6256%0.55531%0.311SS*.THydrogen-bonded Turntrans-60.6-24.6-179.7-59.1179.1000113.9N105 T107 G133N105-L135 PolarHBondContact O-N 3.33Å; T107-L135 HydrophobicContact CG2-CD1 4.25Å; T107-L135 HydrophobicContact CG2-CD2 3.93Å; T107-L135 HydrophobicContact CG2-CG 4Å; G133-L135 PolarHBondContact O-N 3.2Å
136S87.6Confident90.6Very high7 Ų765 Ų655%0.04932%0.316CS..THydrogen-bonded Turntrans-96.8-10.4178.959.10000114.1S134 K138 R139 K140S134-S136 PolarHBondContact O-N 2.94Å; S134-S136 VanDerWaalsContact O-N 3.11Å; S136-K138 PolarHBondContact O-N 2.91Å; S136-R139 PolarHBondContact O-N 3.11Å; S136-R139 VanDerWaalsContact O-N 3.11Å; S136-K140 WeakPolarHBondContact O-CG 3.5Å; S136-K140 PolarHBondContact O-N 3.17Å
137Y89.8Confident90.4Very high39 Ų3971.9 Ų71.915%0.15335%0.346CS..G310 helixtrans-62.7-41.5-170.5-174.5-95.5000113.2I131 S134 R139 K140 K145 Y148 V149I131-Y137 HydrophobicContact CG1-CE2 4.24Å; I131-Y137 HydrophobicContact CG2-CD1 3.62Å; I131-Y137 HydrophobicContact CG2-CE1 3.5Å; I131-Y137 VanDerWaalsContact CG2-CE1 3.5Å; I131-Y137 HydrophobicContact CG2-CE2 4.45Å; I131-Y137 HydrophobicContact CG2-CG 4.14Å; S134-Y137 PolarHBondContact O-N 3.14Å; S134-Y137 VanDerWaalsContact O-N 3.07Å; Y137-R139 VanDerWaalsContact C-N 3.25Å; Y137-R139 PolarHBondContact O-N 2.98Å; Y137-K140 WeakPolarHBondContact O-CB 3.19Å; Y137-K140 PolarHBondContact O-N 3.4Å; Y137-K145 HydrophobicContact CD1-CG 4.48Å; Y137-K145 HydrophobicContact CD2-CG 4.44Å; Y137-K145 HydrophobicContact CE1-CB 4.45Å; Y137-K145 HydrophobicContact CE1-CD 4.15Å; Y137-K145 HydrophobicContact CE1-CG 4.07Å; Y137-K145 HydrophobicContact CE2-CB 3.92Å; Y137-K145 HydrophobicContact CE2-CG 4Å; Y137-K145 WeakPolarHBondContact O-CE 3.47Å; Y137-Y148 AromaticContact CD2-CD1 3.63Å; Y137-Y148 HydrophobicContact CD2-CD1 3.63Å; Y137-Y148 HydrophobicContact CD2-CE1 4.03Å; Y137-Y148 HydrophobicContact CD2-CG 4.13Å; Y137-Y148 AromaticContact CE2-CD1 3.55Å; Y137-Y148 HydrophobicContact CE2-CD1 3.55Å; Y137-Y148 HydrophobicContact CE2-CE1 4.26Å; Y137-Y148 HydrophobicContact CE2-CG 4.16Å; Y137-V149 HydrophobicContact CE2-CG2 4.14Å; Y137-V149 WeakPolarHBondContact OH-CG2 3.4Å
138K89.4Confident90.4Very high192 Ų19272.4 Ų72.484%0.83535%0.348SS*.G310 helixtrans-62-31.4177-67.1-175.1179.1-1790113.2S136S136-K138 PolarHBondContact O-N 2.91Å
139R88.8Confident90.3Very high158 Ų15868.9 Ų68.960%0.59633%0.332SS*.G310 helixtrans-84.3-7.3-179.7-64.7-175.9-71.9-179.9-0.7113.8S136 Y137S136-R139 PolarHBondContact O-N 3.11Å; S136-R139 VanDerWaalsContact O-N 3.11Å; Y137-R139 VanDerWaalsContact C-N 3.25Å; Y137-R139 PolarHBondContact O-N 2.98Å
140K88.7Confident89.9Confident55 Ų5569.6 Ų69.624%0.23933%0.332CS..SBendtrans-76.6147.3179-74.5173.7-170.2172.50110.4S136 Y137 A144 K145S136-K140 WeakPolarHBondContact O-CG 3.5Å; S136-K140 PolarHBondContact O-N 3.17Å; Y137-K140 WeakPolarHBondContact O-CB 3.19Å; Y137-K140 PolarHBondContact O-N 3.4Å; K140-A144 HydrophobicContact CB-CB 3.91Å; K140-A144 HydrophobicContact CD-CB 4.44Å; K140-A144 HydrophobicContact CG-CB 4.28Å; K140-K145 HydrophobicContact CB-CG 3.96Å; K140-K145 WeakPolarHBondContact O-CE 3.34Å
141T90.6Very high89.7Confident75 Ų7576.7 Ų76.746%0.4636%0.359SS..  trans-58.9156.6165.465.70000110.6L143 A144 K145T141-L143 PolarHBondContact O-N 2.86Å; T141-A144 CarbonylContact O-C 3.55Å; T141-A144 WeakPolarHBondContact O-CA 3.05Å; T141-A144 WeakPolarHBondContact O-CB 3.37Å; T141-A144 PolarHBondContact O-N 3.28Å; T141-A144 WeakPolarHBondContact OG1-CB 3.5Å; T141-A144 PolarHBondContact OG1-N 3.28Å; T141-K145 PolarHBondContact O-N 2.96Å
142D88.2Confident89.5Confident101 Ų10177.2 Ų77.254%0.5436%0.36SS..Hα-helixtrans-63.5-32.7-176.7-68.4-23.9000112.9A144 K145 R146D142-A144 VanDerWaalsContact C-N 3.34Å; D142-A144 PolarHBondContact O-N 3.36Å; D142-K145 PolarHBondContact O-N 3.35Å; D142-K145 IonicContact OD1-NZ 3.74Å; D142-K145 PolarHBondContact OD1-NZ 2.9Å; D142-R146 WeakPolarHBondContact O-CB 3.44Å; D142-R146 WeakPolarHBondContact O-CG 3.26Å; D142-R146 PolarHBondContact O-N 3.18Å
143L86.3Confident89.2Confident76 Ų7675.6 Ų75.640%0.39835%0.345SS..Hα-helixtrans-63.6-40.6171.9-56.3-176.5000111.6T141 K147 R369T141-L143 PolarHBondContact O-N 2.86Å; L143-K147 VanDerWaalsContact O-CB 3.3Å; L143-K147 WeakPolarHBondContact O-CB 3.32Å; L143-K147 PolarHBondContact O-N 3.27Å; L143-R369 HydrophobicContact CD1-CG 4.11Å; L143-R369 HydrophobicContact CD2-CG 4.21Å
144A89.1Confident88.8Confident35 Ų3580.5 Ų80.529%0.28936%0.362SS..Hα-helixtrans-71.1-34.817700000112.3K140 T141 D142 Y148K140-A144 HydrophobicContact CB-CB 3.91Å; K140-A144 HydrophobicContact CD-CB 4.44Å; K140-A144 HydrophobicContact CG-CB 4.28Å; T141-A144 CarbonylContact O-C 3.55Å; T141-A144 WeakPolarHBondContact O-CA 3.05Å; T141-A144 WeakPolarHBondContact O-CB 3.37Å; T141-A144 PolarHBondContact O-N 3.28Å; T141-A144 WeakPolarHBondContact OG1-CB 3.5Å; T141-A144 PolarHBondContact OG1-N 3.28Å; D142-A144 VanDerWaalsContact C-N 3.34Å; D142-A144 PolarHBondContact O-N 3.36Å; A144-Y148 WeakPolarHBondContact O-CB 3.28Å; A144-Y148 PolarHBondContact O-N 3.46Å
145K91.2Very high88.6Confident51 Ų5186.7 Ų86.722%0.22239%0.387CS..Hα-helixtrans-60.8-55169.7-70.3178-168.3144.90110.6Y137 K140 T141 D142 K147 Y148 V149Y137-K145 HydrophobicContact CD1-CG 4.48Å; Y137-K145 HydrophobicContact CD2-CG 4.44Å; Y137-K145 HydrophobicContact CE1-CB 4.45Å; Y137-K145 HydrophobicContact CE1-CD 4.15Å; Y137-K145 HydrophobicContact CE1-CG 4.07Å; Y137-K145 HydrophobicContact CE2-CB 3.92Å; Y137-K145 HydrophobicContact CE2-CG 4Å; Y137-K145 WeakPolarHBondContact O-CE 3.47Å; K140-K145 HydrophobicContact CB-CG 3.96Å; K140-K145 WeakPolarHBondContact O-CE 3.34Å; T141-K145 PolarHBondContact O-N 2.96Å; D142-K145 PolarHBondContact O-N 3.35Å; D142-K145 IonicContact OD1-NZ 3.74Å; D142-K145 PolarHBondContact OD1-NZ 2.9Å; K145-K147 PolarHBondContact O-N 2.98Å; K145-Y148 WeakPolarHBondContact O-CA 3.39Å; K145-Y148 WeakPolarHBondContact O-CB 3.35Å; K145-Y148 PolarHBondContact O-N 3.48Å; K145-V149 WeakPolarHBondContact O-CG2 3.45Å; K145-V149 PolarHBondContact O-N 2.87Å
146R87.4Confident88.4Confident151 Ų15182.5 Ų82.557%0.5737%0.365SS*.Hα-helixtrans-55-47.2177.5-71.6177.1-175.4-178.8-3112D142 Y148 V149 Q150D142-R146 WeakPolarHBondContact O-CB 3.44Å; D142-R146 WeakPolarHBondContact O-CG 3.26Å; D142-R146 PolarHBondContact O-N 3.18Å; R146-Y148 VanDerWaalsContact C-N 3.3Å; R146-Y148 PolarHBondContact O-N 3.13Å; R146-V149 PolarHBondContact O-N 2.82Å; R146-Q150 PolarHBondContact O-N 3.47Å
147K88.2Confident88.3Confident151 Ų15183 Ų8366%0.65737%0.369SS*.Hα-helixtrans-59.5-39.6175.5-175.2-179.2-179.7-176.80112.3L143 K145 R151L143-K147 VanDerWaalsContact O-CB 3.3Å; L143-K147 WeakPolarHBondContact O-CB 3.32Å; L143-K147 PolarHBondContact O-N 3.27Å; K145-K147 PolarHBondContact O-N 2.98Å; K147-R151 WeakPolarHBondContact O-CB 3.23Å; K147-R151 PolarHBondContact O-N 2.81Å; K147-R151 VanDerWaalsContact O-N 3.16Å
148Y90.9Very high88.2Confident15 Ų1582.2 Ų82.26%0.05937%0.37CS..Hα-helixtrans-64.9-51.6176.7179.2-92.1000111.2Q106 L130 I131 Y137 A144 K145 R146 Q150 R151 K152Q106-Y148 PolarHBondContact NE2-OH 3.45Å; L130-Y148 PolarHBondContact O-OH 3.43Å; I131-Y148 HydrophobicContact CG1-CD1 4.43Å; I131-Y148 HydrophobicContact CG1-CE1 4.11Å; Y137-Y148 AromaticContact CD2-CD1 3.63Å; Y137-Y148 HydrophobicContact CD2-CD1 3.63Å; Y137-Y148 HydrophobicContact CD2-CE1 4.03Å; Y137-Y148 HydrophobicContact CD2-CG 4.13Å; Y137-Y148 AromaticContact CE2-CD1 3.55Å; Y137-Y148 HydrophobicContact CE2-CD1 3.55Å; Y137-Y148 HydrophobicContact CE2-CE1 4.26Å; Y137-Y148 HydrophobicContact CE2-CG 4.16Å; A144-Y148 WeakPolarHBondContact O-CB 3.28Å; A144-Y148 PolarHBondContact O-N 3.46Å; K145-Y148 WeakPolarHBondContact O-CA 3.39Å; K145-Y148 WeakPolarHBondContact O-CB 3.35Å; K145-Y148 PolarHBondContact O-N 3.48Å; R146-Y148 VanDerWaalsContact C-N 3.3Å; R146-Y148 PolarHBondContact O-N 3.13Å; Y148-Q150 PolarHBondContact O-N 2.83Å; Y148-R151 PolarHBondContact O-N 3.35Å; Y148-K152 HydrophobicContact CD1-CG 4.22Å; Y148-K152 HydrophobicContact CE1-CG 3.91Å; Y148-K152 WeakPolarHBondContact O-CG 3.44Å; Y148-K152 PolarHBondContact O-N 3.17Å; Y148-K152 VanDerWaalsContact OH-CE 3.25Å; Y148-K152 WeakPolarHBondContact OH-CE 3.47Å
149V90.9Very high88.4Confident21 Ų2175.4 Ų75.413%0.12734%0.339CS..Hα-helixtrans-56.8-52.1179.51770000110.7V127 I131 Y137 K145 R146 R151 K152 R153V127-V149 HydrophobicContact CG1-CG1 4.15Å; I131-V149 HydrophobicContact CD1-CG2 3.8Å; I131-V149 HydrophobicContact CG1-CG2 4.4Å; Y137-V149 HydrophobicContact CE2-CG2 4.14Å; Y137-V149 WeakPolarHBondContact OH-CG2 3.4Å; K145-V149 WeakPolarHBondContact O-CG2 3.45Å; K145-V149 PolarHBondContact O-N 2.87Å; R146-V149 PolarHBondContact O-N 2.82Å; V149-R151 VanDerWaalsContact C-N 3.31Å; V149-R151 PolarHBondContact O-N 2.86Å; V149-K152 CarbonylContact O-C 3.59Å; V149-K152 WeakPolarHBondContact O-CA 3.31Å; V149-K152 PolarHBondContact O-N 2.84Å; V149-R153 HydrophobicContact CG1-CG 4.27Å; V149-R153 PolarHBondContact O-N 2.69Å
150Q86.5Confident88.7Confident70 Ų7067.9 Ų67.933%0.32731%0.311SS..Hα-helixtrans-64.1-36.6-177.5-169.2145.516.400112.6E72 R146 Y148 K152 R153 R154E72-Q150 PolarHBondContact O-NE2 3.02Å; E72-Q150 PolarHBondContact OE2-NE2 3.44Å; R146-Q150 PolarHBondContact O-N 3.47Å; Y148-Q150 PolarHBondContact O-N 2.83Å; Q150-K152 VanDerWaalsContact C-N 3.31Å; Q150-K152 PolarHBondContact O-N 3.29Å; Q150-R153 PolarHBondContact O-N 2.92Å; Q150-R154 WeakPolarHBondContact O-CB 3.3Å; Q150-R154 PolarHBondContact O-N 3.08Å
151R87.9Confident89Confident150 Ų15067.9 Ų67.957%0.56631%0.313SS*.Hα-helixtrans-61.6-39.2172.6-177.1177.364.5163.80.1111.9K147 Y148 V149 K155K147-R151 WeakPolarHBondContact O-CB 3.23Å; K147-R151 PolarHBondContact O-N 2.81Å; K147-R151 VanDerWaalsContact O-N 3.16Å; Y148-R151 PolarHBondContact O-N 3.35Å; V149-R151 VanDerWaalsContact C-N 3.31Å; V149-R151 PolarHBondContact O-N 2.86Å; R151-K155 WeakPolarHBondContact O-CB 3.18Å; R151-K155 PolarHBondContact O-N 2.64Å
152K90.5Very high89.3Confident34 Ų3464.3 Ų64.315%0.14829%0.291CS..Hα-helixtrans-71.9-47.4177.5-64-53.7-166.1164.20111.1V127 L130 Y148 V149 Q150 R154 K155 H156V127-K152 HydrophobicContact CG1-CB 4.22Å; V127-K152 HydrophobicContact CG2-CB 3.84Å; L130-K152 HydrophobicContact CD1-CD 3.96Å; L130-K152 HydrophobicContact CD1-CG 4.38Å; Y148-K152 HydrophobicContact CD1-CG 4.22Å; Y148-K152 HydrophobicContact CE1-CG 3.91Å; Y148-K152 WeakPolarHBondContact O-CG 3.44Å; Y148-K152 PolarHBondContact O-N 3.17Å; Y148-K152 VanDerWaalsContact OH-CE 3.25Å; Y148-K152 WeakPolarHBondContact OH-CE 3.47Å; V149-K152 CarbonylContact O-C 3.59Å; V149-K152 WeakPolarHBondContact O-CA 3.31Å; V149-K152 PolarHBondContact O-N 2.84Å; Q150-K152 VanDerWaalsContact C-N 3.31Å; Q150-K152 PolarHBondContact O-N 3.29Å; K152-R154 PolarHBondContact O-N 3.15Å; K152-K155 WeakPolarHBondContact O-CB 3.49Å; K152-K155 PolarHBondContact O-N 3.32Å; K152-H156 PolarHBondContact O-CD2 3.4Å; K152-H156 PolarHBondContact O-N 3.42Å
153R88.2Confident89.7Confident81 Ų8160.3 Ų60.331%0.30627%0.27SS..Hα-helixtrans-52.6-52.1173.7-77.6-173.4170.5156.32.7111.6S71 D124 V127 V149 Q150 K155 H156 S157S71-R153 PolarHBondContact O-NH1 2.89Å; D124-R153 IonicContact OD1-CZ 2.7Å; D124-R153 IonicContact OD1-NE 3.98Å; D124-R153 PolarHBondContact OD1-NE 2.89Å; D124-R153 VanDerWaalsContact OD1-NE 3.17Å; D124-R153 IonicContact OD1-NH2 2.99Å; V127-R153 HydrophobicContact CG1-CG 4.32Å; V127-R153 HydrophobicContact CG2-CG 3.92Å; V149-R153 HydrophobicContact CG1-CG 4.27Å; V149-R153 PolarHBondContact O-N 2.69Å; Q150-R153 PolarHBondContact O-N 2.92Å; R153-K155 VanDerWaalsContact C-N 3.27Å; R153-K155 PolarHBondContact O-N 3.09Å; R153-H156 CarbonylContact O-C 3.53Å; R153-H156 PolarHBondContact O-N 3.02Å; R153-H156 VanDerWaalsContact O-N 3.11Å; R153-S157 WeakPolarHBondContact O-CA 3.23Å; R153-S157 VanDerWaalsContact O-CB 3.27Å; R153-S157 WeakPolarHBondContact O-CB 3.39Å; R153-S157 PolarHBondContact O-N 3.42Å
154R83.9Confident90.2Very high111 Ų11160.7 Ų60.742%0.41927%0.268SS..Hα-helixtrans-56.9-39.4177.3-168.9176.571.2179.23.6113.2Q150 K152Q150-R154 WeakPolarHBondContact O-CB 3.3Å; Q150-R154 PolarHBondContact O-N 3.08Å; K152-R154 PolarHBondContact O-N 3.15Å
155K86.2Confident90.6Very high141 Ų14159.5 Ų59.561%0.61326%0.257SS*.Hα-helixtrans-70.3-37.1179-177.9178.3179.3-177.80112.6R151 K152 R153R151-K155 WeakPolarHBondContact O-CB 3.18Å; R151-K155 PolarHBondContact O-N 2.64Å; K152-K155 WeakPolarHBondContact O-CB 3.49Å; K152-K155 PolarHBondContact O-N 3.32Å; R153-K155 VanDerWaalsContact C-N 3.27Å; R153-K155 PolarHBondContact O-N 3.09Å
156H86Confident90.9Very high18 Ų1859 Ų598%0.08326%0.26CS..Hα-helixtrans-103.90.3-172.6-66.8-82.2000113.6K117 G123 I126 K152 R153 A158K117-H156 WeakPolarHBondContact CE-ND1 3.17Å; G123-H156 WeakPolarHBondContact CA-O 3.18Å; I126-H156 HydrophobicContact CG2-CB 4.45Å; I126-H156 WeakPolarHBondContact CG2-ND1 3.3Å; K152-H156 PolarHBondContact O-CD2 3.4Å; K152-H156 PolarHBondContact O-N 3.42Å; R153-H156 CarbonylContact O-C 3.53Å; R153-H156 PolarHBondContact O-N 3.02Å; R153-H156 VanDerWaalsContact O-N 3.11Å; H156-A158 PolarHBondContact O-N 3.5Å
157S85.2Confident91.4Very high19 Ų1952.6 Ų52.613%0.13324%0.237CC..  trans-56.3131.9176.31750000110.2R13 R153 Y159R13-S157 PolarHBondContact NH1-O 2.78Å; R13-S157 PolarHBondContact NH2-O 3.21Å; R153-S157 WeakPolarHBondContact O-CA 3.23Å; R153-S157 VanDerWaalsContact O-CB 3.27Å; R153-S157 WeakPolarHBondContact O-CB 3.39Å; R153-S157 PolarHBondContact O-N 3.42Å; S157-Y159 VanDerWaalsContact C-N 3.28Å; S157-Y159 PolarHBondContact OG-N 3.3Å; S157-Y159 VanDerWaalsContact OG-N 3.12Å
158A88.7Confident91.8Very high22 Ų2252.4 Ų52.418%0.18223%0.232CC..  trans-89.11.8171.900000111.6E50 I51 H156E50-A158 HydrophobicContact CG-CB 3.9Å; I51-A158 VanDerWaalsContact CB-O 3.28Å; I51-A158 WeakPolarHBondContact CB-O 3.47Å; I51-A158 VanDerWaalsContact CG1-O 3.23Å; I51-A158 WeakPolarHBondContact CG1-O 3.37Å; I51-A158 PolarHBondContact N-O 3.34Å; H156-A158 PolarHBondContact O-N 3.5Å
159Y92.4Very high92.1Very high48 Ų4852.4 Ų52.419%0.18823%0.233CC..EExtended strand (participates in β ladder)trans-92.6148.3-170-58.1-76.6000113.8L48 F49 E50 F68 S157L48-Y159 HydrophobicContact CD2-CD1 3.94Å; L48-Y159 HydrophobicContact CD2-CG 4.24Å; L48-Y159 HydrophobicContact CG-CD1 4.15Å; L48-Y159 HydrophobicContact CG-CG 4.49Å; F49-Y159 CarbonylContact O-C 3.57Å; F49-Y159 VanDerWaalsContact O-CA 3.26Å; F49-Y159 WeakPolarHBondContact O-CA 3.37Å; E50-Y159 HydrophobicContact CB-CD1 4.05Å; E50-Y159 HydrophobicContact CB-CE1 3.9Å; E50-Y159 HydrophobicContact CG-CD1 4.39Å; E50-Y159 HydrophobicContact CG-CE1 4.09Å; F68-Y159 AromaticContact CD2-CD2 3.52Å; F68-Y159 HydrophobicContact CD2-CD2 3.52Å; F68-Y159 HydrophobicContact CD2-CE2 4.03Å; F68-Y159 AromaticContact CD2-CG 3.92Å; F68-Y159 HydrophobicContact CD2-CG 3.92Å; F68-Y159 AromaticContact CE2-CD2 3.88Å; F68-Y159 HydrophobicContact CE2-CD2 3.88Å; F68-Y159 HydrophobicContact CE2-CG 4.17Å; S157-Y159 VanDerWaalsContact C-N 3.28Å; S157-Y159 PolarHBondContact OG-N 3.3Å; S157-Y159 VanDerWaalsContact OG-N 3.12Å
160V94.9Very high92.4Very high1 Ų151.4 Ų51.41%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-139130.4170.863.20000109.6F11 L30 F35 F49 I51 L57F11-V160 HydrophobicContact CB-CG2 4.02Å; F11-V160 HydrophobicContact CD1-CG2 3.88Å; F11-V160 HydrophobicContact CG-CG2 4.41Å; L30-V160 HydrophobicContact CD2-CG2 4.22Å; F35-V160 HydrophobicContact CZ-CG2 4.37Å; F49-V160 HydrophobicContact CB-CG1 4.09Å; F49-V160 PolarHBondContact N-O 3.14Å; F49-V160 PolarHBondContact O-N 3.36Å; I51-V160 HydrophobicContact CD1-CG1 4.46Å; I51-V160 HydrophobicContact CG1-CG1 4.21Å; L57-V160 HydrophobicContact CD1-CG1 4.38Å; L57-V160 HydrophobicContact CD2-CG1 3.75Å
161L95.4Very high92.9Very high54 Ų5448.2 Ų48.228%0.28321%0.213SC..EExtended strand (participates in β ladder)trans-87.8130.4173.8-178.470.6000109.1F11 K12 L48 M163F11-L161 CarbonylContact C-O 3.57Å; F11-L161 WeakPolarHBondContact CA-O 3.19Å; K12-L161 HydrophobicContact CB-CB 4.29Å; K12-L161 HydrophobicContact CD-CD2 4.48Å; K12-L161 PolarHBondContact N-O 3.2Å; K12-L161 PolarHBondContact O-N 3.04Å; L48-L161 HydrophobicContact CD1-CB 4.31Å; L161-M163 HydrophobicContact CD2-CG 3.7Å; L161-M163 HydrophobicContact CD2-SD 3.6Å; L161-M163 HydrophobicContact CG-CG 3.74Å; L161-M163 HydrophobicContact CG-SD 4.3Å
162V97.1Very high93.2Very high0 Ų043.6 Ų43.60%020%0.197CC..EExtended strand (participates in β ladder)trans-110.9103.5-179.6-175.50000108.9I3 V9 F11 L40 N46 Q47 F49I3-V162 HydrophobicContact CD1-CG1 3.81Å; V9-V162 HydrophobicContact CB-CG1 3.9Å; V9-V162 HydrophobicContact CG1-CG1 4Å; V9-V162 HydrophobicContact CG2-CG1 4.31Å; F11-V162 HydrophobicContact CD1-CG2 3.8Å; F11-V162 HydrophobicContact CE1-CG1 4.25Å; F11-V162 HydrophobicContact CE1-CG2 3.72Å; L40-V162 HydrophobicContact CD2-CG1 4.49Å; L40-V162 HydrophobicContact CD2-CG2 3.97Å; N46-V162 WeakPolarHBondContact CA-O 3.44Å; N46-V162 PolarHBondContact N-O 2.82Å; Q47-V162 PolarHBondContact N-O 3.39Å; Q47-V162 PolarHBondContact O-N 3.38Å; F49-V162 HydrophobicContact CD2-CB 4Å; F49-V162 HydrophobicContact CD2-CG2 3.42Å; F49-V162 VanDerWaalsContact CD2-CG2 3.42Å; F49-V162 HydrophobicContact CE2-CB 3.81Å; F49-V162 HydrophobicContact CE2-CG2 3.67Å; F49-V162 HydrophobicContact CG-CG2 4.3Å
163M97.2Very high93.4Very high18 Ų1842.4 Ų42.49%0.08919%0.193CC..EExtended strand (participates in β ladder)trans-103.8151.1-173.5-56.1178.9-62.400112.1I10 K12 N46 L161 L169I10-M163 HydrophobicContact CB-CB 4.36Å; I10-M163 HydrophobicContact CB-CE 4.16Å; I10-M163 HydrophobicContact CG2-CE 3.56Å; I10-M163 PolarHBondContact N-O 2.97Å; I10-M163 PolarHBondContact O-N 3.1Å; K12-M163 HydrophobicContact CB-CE 3.72Å; K12-M163 HydrophobicContact CD-CE 3.92Å; K12-M163 HydrophobicContact CD-SD 4.32Å; K12-M163 HydrophobicContact CG-CE 4.47Å; N46-M163 WeakPolarHBondContact OD1-CA 3.44Å; L161-M163 HydrophobicContact CD2-CG 3.7Å; L161-M163 HydrophobicContact CD2-SD 3.6Å; L161-M163 HydrophobicContact CG-CG 3.74Å; L161-M163 HydrophobicContact CG-SD 4.3Å; M163-L169 HydrophobicContact CB-CD1 4Å; M163-L169 HydrophobicContact CE-CD1 4.19Å; M163-L169 HydrophobicContact CE-CD2 4.07Å; M163-L169 HydrophobicContact SD-CD1 4.1Å; M163-L169 HydrophobicContact SD-CD2 4.21Å
164K97.4Very high93.7Very high83 Ų8340 Ų4036%0.36118%0.184SC..PPolyproline II helixtrans-72.8135.1168.9-168.5176.6176179.80109.9M1 Y45 N46 C166 L169M1-K164 PolarHBondContact SD-NZ 2.94Å; M1-K164 VanDerWaalsContact SD-NZ 3.36Å; Y45-K164 HydrophobicContact CD1-CB 3.53Å; Y45-K164 HydrophobicContact CD1-CG 3.98Å; Y45-K164 HydrophobicContact CD2-CB 4.49Å; Y45-K164 HydrophobicContact CD2-CG 4.47Å; Y45-K164 HydrophobicContact CE1-CB 4.05Å; Y45-K164 HydrophobicContact CE1-CG 4.02Å; Y45-K164 HydrophobicContact CG-CB 3.75Å; Y45-K164 HydrophobicContact CG-CG 4.17Å; N46-K164 PolarHBondContact OD1-N 3.37Å; K164-C166 PolarHBondContact O-N 2.75Å; K164-L169 WeakPolarHBondContact O-CD1 3.27Å
165P97.5Very high94.1Very high10 Ų1035.7 Ų35.77%0.06517%0.168CC..PPolyproline II helixtrans-55.6134.3169.6-24.234.3000111.6Y8 I10 L19 L170 M247Y8-P165 VanDerWaalsContact O-CD 3.22Å; Y8-P165 WeakPolarHBondContact O-CD 3.14Å; I10-P165 HydrophobicContact CD1-CB 4.31Å; I10-P165 HydrophobicContact CG1-CG 4.36Å; L19-P165 HydrophobicContact CD1-CG 3.97Å; P165-L170 HydrophobicContact CB-CD2 4.25Å; P165-L170 HydrophobicContact CB-CG 4.42Å; P165-M247 HydrophobicContact CB-SD 4.42Å
166C96.8Very high94.3Very high42 Ų4234.8 Ų34.828%0.28417%0.165SC..  trans-143.7163.5164.772.20000108.2K164 R168 L169 L170K164-C166 PolarHBondContact O-N 2.75Å; C166-R168 VanDerWaalsContact C-N 3.27Å; C166-R168 PolarHBondContact O-N 2.84Å; C166-L169 PolarHBondContact O-N 3.07Å; C166-L169 VanDerWaalsContact SG-CG 3.56Å; C166-L170 WeakPolarHBondContact O-CG 3.29Å; C166-L170 PolarHBondContact O-N 2.99Å
167I97.1Very high94.5Very high16 Ų1640 Ų408%0.08219%0.188CC..Hα-helixtrans-50.8-45.8-174.9-62.2-54000112.7L170 A171 F190 A217 A218 D221 M247I167-L170 PolarHBondContact O-N 3.4Å; I167-A171 PolarHBondContact O-N 2.98Å; I167-F190 HydrophobicContact CG2-CE1 3.49Å; I167-F190 VanDerWaalsContact CG2-CE1 3.49Å; I167-F190 HydrophobicContact CG2-CZ 3.74Å; I167-A217 HydrophobicContact CD1-CB 3.76Å; I167-A218 HydrophobicContact CD1-CB 4.21Å; I167-A218 HydrophobicContact CG1-CB 4.29Å; I167-A218 HydrophobicContact CG2-CB 3.7Å; I167-D221 HydrophobicContact CD1-CB 4.2Å; I167-D221 HydrophobicContact CG1-CB 3.69Å; I167-D221 WeakPolarHBondContact CG1-OD2 3.39Å; I167-M247 HydrophobicContact CD1-CE 4.08Å; I167-M247 HydrophobicContact CD1-CG 4.26Å; I167-M247 HydrophobicContact CD1-SD 4.15Å; I167-M247 HydrophobicContact CG1-CE 4.23Å
168R96.6Very high94.8Very high147 Ų14742.4 Ų42.456%0.55520%0.2SC*.Hα-helixtrans-61.6-48.6177.6-176.5177.756.769.70.7112.5C166 L170 A171 E172C166-R168 VanDerWaalsContact C-N 3.27Å; C166-R168 PolarHBondContact O-N 2.84Å; R168-L170 VanDerWaalsContact C-N 3.34Å; R168-L170 PolarHBondContact O-N 3.5Å; R168-A171 PolarHBondContact O-N 2.81Å; R168-E172 WeakPolarHBondContact CG-OE1 3.14Å; R168-E172 IonicContact CZ-OE1 3.13Å; R168-E172 IonicContact NH1-OE1 2.84Å; R168-E172 PolarHBondContact NH1-OE1 2.77Å; R168-E172 IonicContact NH1-OE2 3.21Å; R168-E172 WeakPolarHBondContact O-CG 3.32Å; R168-E172 PolarHBondContact O-N 2.83Å
169L96.9Very high95Very high15 Ų1543.1 Ų43.18%0.07920%0.202CC..Hα-helixtrans-69-33.9-178.6-65.9175.7000111.9I10 M163 K164 C166 E172 V173I10-L169 HydrophobicContact CD1-CB 3.51Å; I10-L169 HydrophobicContact CD1-CD1 4.34Å; M163-L169 HydrophobicContact CB-CD1 4Å; M163-L169 HydrophobicContact CE-CD1 4.19Å; M163-L169 HydrophobicContact CE-CD2 4.07Å; M163-L169 HydrophobicContact SD-CD1 4.1Å; M163-L169 HydrophobicContact SD-CD2 4.21Å; K164-L169 WeakPolarHBondContact O-CD1 3.27Å; C166-L169 PolarHBondContact O-N 3.07Å; C166-L169 VanDerWaalsContact SG-CG 3.56Å; L169-E172 PolarHBondContact O-N 3.39Å; L169-V173 VanDerWaalsContact O-CB 3.3Å; L169-V173 WeakPolarHBondContact O-CB 3.47Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 2.91Å
170L97.6Very high95Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-63.7-48174.2-70.3176.2000110.7I10 L19 P165 C166 I167 R168 E172 V173 Y174 L214 C243 A246 M247I10-L170 HydrophobicContact CD1-CD2 4.32Å; L19-L170 HydrophobicContact CD1-CD2 4Å; L19-L170 HydrophobicContact CD2-CD2 3.87Å; L19-L170 HydrophobicContact CG-CD2 4.48Å; P165-L170 HydrophobicContact CB-CD2 4.25Å; P165-L170 HydrophobicContact CB-CG 4.42Å; C166-L170 WeakPolarHBondContact O-CG 3.29Å; C166-L170 PolarHBondContact O-N 2.99Å; I167-L170 PolarHBondContact O-N 3.4Å; R168-L170 VanDerWaalsContact C-N 3.34Å; R168-L170 PolarHBondContact O-N 3.5Å; L170-E172 PolarHBondContact O-N 2.97Å; L170-V173 PolarHBondContact O-N 3.03Å; L170-Y174 WeakPolarHBondContact O-CD2 3.43Å; L170-Y174 PolarHBondContact O-N 3.44Å; L170-L214 HydrophobicContact CB-CD1 3.91Å; L170-C243 HydrophobicContact CD1-CB 4.16Å; L170-A246 HydrophobicContact CD2-CB 4.22Å; L170-M247 HydrophobicContact CD1-CG 3.88Å; L170-M247 HydrophobicContact CD1-SD 3.75Å
171A96.5Very high94.9Very high3 Ų348.6 Ų48.63%0.02524%0.238CC..Hα-helixtrans-55.9-48.7175.100000111.6I167 R168 Y175 P187 F190 L214I167-A171 PolarHBondContact O-N 2.98Å; R168-A171 PolarHBondContact O-N 2.81Å; A171-Y175 WeakPolarHBondContact O-CB 3.29Å; A171-Y175 PolarHBondContact O-N 3.02Å; A171-P187 HydrophobicContact CB-CB 4.41Å; A171-P187 HydrophobicContact CB-CG 4.42Å; A171-F190 HydrophobicContact CB-CD1 3.89Å; A171-F190 HydrophobicContact CB-CE1 4.13Å; A171-L214 HydrophobicContact CB-CD1 4.48Å; A171-L214 HydrophobicContact CB-CD2 3.94Å
172E94.4Very high94.9Very high52 Ų5246.1 Ų46.124%0.24323%0.225CC..Hα-helixtrans-61.4-46.2177.9-72.4172.3-158.400112.7R168 L169 L170 H176 P187R168-E172 WeakPolarHBondContact CG-OE1 3.14Å; R168-E172 IonicContact CZ-OE1 3.13Å; R168-E172 IonicContact NH1-OE1 2.84Å; R168-E172 PolarHBondContact NH1-OE1 2.77Å; R168-E172 IonicContact NH1-OE2 3.21Å; R168-E172 WeakPolarHBondContact O-CG 3.32Å; R168-E172 PolarHBondContact O-N 2.83Å; L169-E172 PolarHBondContact O-N 3.39Å; L170-E172 PolarHBondContact O-N 2.97Å; E172-H176 WeakPolarHBondContact O-CB 3.44Å; E172-H176 PolarHBondContact O-CD2 3.18Å; E172-H176 PolarHBondContact O-N 3.17Å; E172-P187 HydrophobicContact CG-CG 4.36Å
173V95Very high94.8Very high9 Ų946.2 Ų46.26%0.05523%0.225CC..Hα-helixtrans-64.2-47-177.1167.40000111.3I10 L19 L169 L170 K177I10-V173 HydrophobicContact CD1-CG2 4.11Å; I10-V173 HydrophobicContact CG1-CG2 4.36Å; I10-V173 HydrophobicContact CG2-CG2 3.51Å; L19-V173 HydrophobicContact CB-CG1 4.28Å; L169-V173 VanDerWaalsContact O-CB 3.3Å; L169-V173 WeakPolarHBondContact O-CB 3.47Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 2.91Å; L170-V173 PolarHBondContact O-N 3.03Å; V173-K177 WeakPolarHBondContact O-CB 3.46Å; V173-K177 PolarHBondContact O-N 3.15Å
174Y94.6Very high94.5Very high31 Ų3148.6 Ų48.612%0.12224%0.239CC..Hα-helixtrans-68.4-44.8-180-86.5-91.4000111L19 L170 H176 K177 N178 K181 L182 C212L19-Y174 HydrophobicContact CD2-CE2 4.06Å; L170-Y174 WeakPolarHBondContact O-CD2 3.43Å; L170-Y174 PolarHBondContact O-N 3.44Å; Y174-H176 PolarHBondContact O-N 3.45Å; Y174-K177 PolarHBondContact O-N 2.86Å; Y174-N178 CarbonylContact O-C 3.56Å; Y174-N178 PolarHBondContact O-N 2.83Å; Y174-N178 VanDerWaalsContact O-O 3.11Å; Y174-K181 HydrophobicContact CD1-CB 4.01Å; Y174-K181 HydrophobicContact CD1-CD 3.97Å; Y174-K181 HydrophobicContact CE1-CD 3.89Å; Y174-L182 HydrophobicContact CG-CD2 4.43Å; Y174-L182 HydrophobicContact CG-CG 4.48Å; Y174-C212 HydrophobicContact CE1-CB 4.15Å
175Y92.6Very high94.4Very high21 Ų2144.8 Ų44.88%0.08222%0.222CC..Hα-helixtrans-58.3-46.8177.2-176.1-102.7000112.3A171 P179 D184 M185 R186 P187A171-Y175 WeakPolarHBondContact O-CB 3.29Å; A171-Y175 PolarHBondContact O-N 3.02Å; Y175-P179 HydrophobicContact CD2-CB 3.91Å; Y175-P179 HydrophobicContact CE2-CB 4.15Å; Y175-P179 VanDerWaalsContact O-CB 3.27Å; Y175-P179 WeakPolarHBondContact O-CB 3.5Å; Y175-P179 VanDerWaalsContact O-CD 3.3Å; Y175-P179 WeakPolarHBondContact O-CD 3.12Å; Y175-D184 WeakPolarHBondContact CE2-O 3.39Å; Y175-M185 WeakPolarHBondContact CD2-O 3.37Å; Y175-R186 HydrophobicContact CD2-CB 4.49Å; Y175-R186 HydrophobicContact CE1-CG 3.94Å; Y175-R186 HydrophobicContact CE2-CB 3.88Å; Y175-R186 HydrophobicContact CE2-CG 4.06Å; Y175-P187 HydrophobicContact CG-CG 4.49Å
176H90.3Very high94.2Very high121 Ų12144.6 Ų44.656%0.5622%0.22SC*.Hα-helixtrans-75.6-27.8-179-72.7-53.1000114.4E172 Y174E172-H176 WeakPolarHBondContact O-CB 3.44Å; E172-H176 PolarHBondContact O-CD2 3.18Å; E172-H176 PolarHBondContact O-N 3.17Å; Y174-H176 PolarHBondContact O-N 3.45Å
177K90.7Very high94Very high127 Ų12743.8 Ų43.855%0.55221%0.214SC*.Hα-helixtrans-89.4-42.8-176.7-174.9179.7175-172.10113V173 Y174V173-K177 WeakPolarHBondContact O-CB 3.46Å; V173-K177 PolarHBondContact O-N 3.15Å; Y174-K177 PolarHBondContact O-N 2.86Å
178N91.2Very high93.8Very high71 Ų7144.4 Ų44.438%0.3822%0.218SC..  trans-159.381.4-178.6-173.2-8.9000109.2Y174 A180 K181Y174-N178 CarbonylContact O-C 3.56Å; Y174-N178 PolarHBondContact O-N 2.83Å; Y174-N178 VanDerWaalsContact O-O 3.11Å; N178-A180 PolarHBondContact O-N 3.46Å; N178-K181 HydrophobicContact CB-CD 4.42Å; N178-K181 HydrophobicContact CB-CG 4.27Å; N178-K181 WeakPolarHBondContact O-CB 3.32Å; N178-K181 PolarHBondContact O-N 2.84Å; N178-K181 VanDerWaalsContact O-N 3.08Å
179P92.3Very high93.8Very high36 Ų3637.5 Ų37.523%0.23419%0.192CC..G310 helixtrans-63.4-29.3-171.326.3-34.4000113Y175 K181 L182 M183 D184Y175-P179 HydrophobicContact CD2-CB 3.91Å; Y175-P179 HydrophobicContact CE2-CB 4.15Å; Y175-P179 VanDerWaalsContact O-CB 3.27Å; Y175-P179 WeakPolarHBondContact O-CB 3.5Å; Y175-P179 VanDerWaalsContact O-CD 3.3Å; Y175-P179 WeakPolarHBondContact O-CD 3.12Å; P179-K181 PolarHBondContact O-N 3.01Å; P179-L182 CarbonylContact O-C 3.5Å; P179-L182 WeakPolarHBondContact O-CA 3.34Å; P179-L182 PolarHBondContact O-N 3.28Å; P179-M183 PolarHBondContact O-N 2.85Å; P179-D184 VanDerWaalsContact C-OD1 3.25Å; P179-D184 WeakPolarHBondContact CB-OD1 3.22Å; P179-D184 WeakPolarHBondContact CG-OD1 3.32Å; P179-D184 WeakPolarHBondContact O-CA 3.43Å; P179-D184 PolarHBondContact O-N 3.2Å
180A93Very high93.7Very high60 Ų6037.2 Ų37.250%0.49619%0.19SC..G310 helixtrans-56.3-25.917400000113.7N178 L182 M183 D184N178-A180 PolarHBondContact O-N 3.46Å; A180-L182 PolarHBondContact O-N 3.39Å; A180-M183 PolarHBondContact O-N 3.32Å; A180-M183 VanDerWaalsContact O-N 3.15Å; A180-D184 PolarHBondContact N-OD1 3.13Å
181K93.8Very high93.6Very high105 Ų10539.6 Ų39.646%0.45721%0.209SC..G310 helixtrans-67.6-16.9174-74.5-165.1172.7-160.20114.2Y174 N178 P179 C212Y174-K181 HydrophobicContact CD1-CB 4.01Å; Y174-K181 HydrophobicContact CD1-CD 3.97Å; Y174-K181 HydrophobicContact CE1-CD 3.89Å; N178-K181 HydrophobicContact CB-CD 4.42Å; N178-K181 HydrophobicContact CB-CG 4.27Å; N178-K181 WeakPolarHBondContact O-CB 3.32Å; N178-K181 PolarHBondContact O-N 2.84Å; N178-K181 VanDerWaalsContact O-N 3.08Å; P179-K181 PolarHBondContact O-N 3.01Å; K181-C212 PolarHBondContact O-SG 3.46Å; K181-C212 VanDerWaalsContact O-SG 3.39Å
182L94.5Very high93.5Very high1 Ų143.7 Ų43.71%0.00523%0.225CC..G310 helixtrans-116.825.5173.8-56-176.6000110.6Y174 P179 A180 D184 M185 C211 C212 L214Y174-L182 HydrophobicContact CG-CD2 4.43Å; Y174-L182 HydrophobicContact CG-CG 4.48Å; P179-L182 CarbonylContact O-C 3.5Å; P179-L182 WeakPolarHBondContact O-CA 3.34Å; P179-L182 PolarHBondContact O-N 3.28Å; A180-L182 PolarHBondContact O-N 3.39Å; L182-D184 PolarHBondContact O-N 2.93Å; L182-M185 HydrophobicContact CB-CB 4.49Å; L182-M185 WeakPolarHBondContact O-CB 3.28Å; L182-M185 PolarHBondContact O-N 3.27Å; L182-C211 HydrophobicContact CD2-CB 3.94Å; L182-C211 VanDerWaalsContact CD2-O 3.25Å; L182-C211 WeakPolarHBondContact CD2-O 3.35Å; L182-C212 HydrophobicContact CD2-CB 4.48Å; L182-L214 HydrophobicContact CD1-CD2 3.71Å; L182-L214 HydrophobicContact CD2-CB 4.24Å; L182-L214 HydrophobicContact CD2-CD2 3.88Å; L182-L214 HydrophobicContact CG-CD2 4.43Å
183M93.9Very high93.6Very high2 Ų241.2 Ų41.21%0.0121%0.213CC..THydrogen-bonded Turntrans54.736.5-176.8-59.5165.749.400112.6P179 A180 M185 S305 N306 Y330 D332P179-M183 PolarHBondContact O-N 2.85Å; A180-M183 PolarHBondContact O-N 3.32Å; A180-M183 VanDerWaalsContact O-N 3.15Å; M183-M185 PolarHBondContact O-N 3.01Å; M183-S305 WeakPolarHBondContact CE-O 3.45Å; M183-S305 PolarHBondContact SD-N 3.35Å; M183-S305 VanDerWaalsContact SD-N 3.39Å; M183-N306 VanDerWaalsContact CG-OD1 3.31Å; M183-N306 WeakPolarHBondContact CG-OD1 3.47Å; M183-Y330 HydrophobicContact CB-CE1 3.74Å; M183-Y330 HydrophobicContact CE-CD1 3.72Å; M183-Y330 HydrophobicContact CE-CE1 3.78Å; M183-Y330 WeakPolarHBondContact O-CE1 3.23Å; M183-Y330 PolarHBondContact O-OH 2.94Å; M183-D332 WeakPolarHBondContact O-CB 3.09Å
184D92.7Very high93.7Very high69 Ų6942 Ų4237%0.36922%0.217SC..THydrogen-bonded Turntrans5714.6-174.1-61.7-49.2000115.3Y175 P179 A180 L182 R186Y175-D184 WeakPolarHBondContact CE2-O 3.39Å; P179-D184 VanDerWaalsContact C-OD1 3.25Å; P179-D184 WeakPolarHBondContact CB-OD1 3.22Å; P179-D184 WeakPolarHBondContact CG-OD1 3.32Å; P179-D184 WeakPolarHBondContact O-CA 3.43Å; P179-D184 PolarHBondContact O-N 3.2Å; A180-D184 PolarHBondContact N-OD1 3.13Å; L182-D184 PolarHBondContact O-N 2.93Å; D184-R186 PolarHBondContact O-N 3.46Å; D184-R186 VanDerWaalsContact O-N 3.12Å
185M94.7Very high93.8Very high2 Ų244.6 Ų44.61%0.0124%0.24CC..  trans-63.6113.2178.4-172.7173.452.600110.4Y175 L182 M183 F190 L193 C211 Y330Y175-M185 WeakPolarHBondContact CD2-O 3.37Å; L182-M185 HydrophobicContact CB-CB 4.49Å; L182-M185 WeakPolarHBondContact O-CB 3.28Å; L182-M185 PolarHBondContact O-N 3.27Å; M183-M185 PolarHBondContact O-N 3.01Å; M185-F190 HydrophobicContact CE-CB 3.98Å; M185-F190 HydrophobicContact CE-CD2 3.64Å; M185-F190 HydrophobicContact CE-CG 4.14Å; M185-F190 HydrophobicContact CG-CB 4.18Å; M185-F190 HydrophobicContact SD-CB 3.96Å; M185-F190 HydrophobicContact SD-CD2 4.24Å; M185-L193 HydrophobicContact SD-CD2 4.1Å; M185-C211 HydrophobicContact CE-CB 4.43Å; M185-Y330 VanDerWaalsContact CA-OH 3.24Å; M185-Y330 WeakPolarHBondContact CA-OH 3.42Å; M185-Y330 HydrophobicContact CB-CD1 4.17Å; M185-Y330 HydrophobicContact CB-CD2 4.46Å; M185-Y330 HydrophobicContact CB-CE1 3.65Å; M185-Y330 HydrophobicContact CB-CE2 3.95Å; M185-Y330 HydrophobicContact CG-CD1 4.27Å; M185-Y330 HydrophobicContact CG-CD2 3.95Å; M185-Y330 HydrophobicContact CG-CE1 4.15Å; M185-Y330 HydrophobicContact CG-CE2 3.79Å; M185-Y330 HydrophobicContact CG-CG 4.18Å; M185-Y330 PolarHBondContact N-OH 3.41Å; M185-Y330 VanDerWaalsContact N-OH 3.15Å; M185-Y330 HydrophobicContact SD-CD1 4.05Å; M185-Y330 HydrophobicContact SD-CD2 4.1Å; M185-Y330 HydrophobicContact SD-CE1 4.49Å; M185-Y330 HydrophobicContact SD-CG 3.85Å
186R92.7Very high94Very high7 Ų747.5 Ų47.53%0.02625%0.251CS..  trans-72.4149.1178.1-160.5171.363.7-153.3-8.5110.4Y175 D184 D188 Y189 F190 S358 L360 Y377 P380Y175-R186 HydrophobicContact CD2-CB 4.49Å; Y175-R186 HydrophobicContact CE1-CG 3.94Å; Y175-R186 HydrophobicContact CE2-CB 3.88Å; Y175-R186 HydrophobicContact CE2-CG 4.06Å; D184-R186 PolarHBondContact O-N 3.46Å; D184-R186 VanDerWaalsContact O-N 3.12Å; R186-D188 VanDerWaalsContact CB-OD1 3.27Å; R186-D188 WeakPolarHBondContact CB-OD1 3.44Å; R186-D188 WeakPolarHBondContact CD-OD1 3.25Å; R186-D188 WeakPolarHBondContact CG-OD1 3.21Å; R186-D188 IonicContact CZ-OD1 2.84Å; R186-D188 IonicContact CZ-OD2 3.93Å; R186-D188 VanDerWaalsContact NE-CG 3.34Å; R186-D188 IonicContact NE-OD1 3.17Å; R186-D188 PolarHBondContact NE-OD1 3.39Å; R186-D188 IonicContact NE-OD2 3.67Å; R186-D188 PolarHBondContact NE-OD2 2.89Å; R186-D188 IonicContact NH2-OD1 3.86Å; R186-D188 IonicContact NH2-OD2 2.71Å; R186-D188 PolarHBondContact NH2-OD2 3.41Å; R186-D188 PolarHBondContact O-N 2.83Å; R186-D188 VanDerWaalsContact O-N 3.12Å; R186-Y189 WeakPolarHBondContact O-CB 3.2Å; R186-Y189 PolarHBondContact O-N 3.4Å; R186-F190 PolarHBondContact O-N 3.42Å; R186-S358 PolarHBondContact NH2-O 3.27Å; R186-L360 VanDerWaalsContact NH2-N 3.15Å; R186-Y377 PolarHBondContact NH1-O 2.74Å; R186-P380 HydrophobicContact CB-CB 3.52Å; R186-P380 HydrophobicContact CB-CG 3.95Å; R186-P380 HydrophobicContact CG-CB 4.49Å
187P93.3Very high94.3Very high24 Ų2441.8 Ų41.816%0.15622%0.224CC..Hα-helixtrans-56.2-29.6-176.4-31.237.2000116.3A171 E172 Y175 A191A171-P187 HydrophobicContact CB-CB 4.41Å; A171-P187 HydrophobicContact CB-CG 4.42Å; E172-P187 HydrophobicContact CG-CG 4.36Å; Y175-P187 HydrophobicContact CG-CG 4.49Å; P187-A191 PolarHBondContact O-N 3.42Å
188D93.4Very high94.6Very high30 Ų3039.8 Ų39.816%0.1622%0.22CC..Hα-helixtrans-71.2-38.3173.256.6-52.1000112.6R186 F190 A191 Y192 L360R186-D188 VanDerWaalsContact CB-OD1 3.27Å; R186-D188 WeakPolarHBondContact CB-OD1 3.44Å; R186-D188 WeakPolarHBondContact CD-OD1 3.25Å; R186-D188 WeakPolarHBondContact CG-OD1 3.21Å; R186-D188 IonicContact CZ-OD1 2.84Å; R186-D188 IonicContact CZ-OD2 3.93Å; R186-D188 VanDerWaalsContact NE-CG 3.34Å; R186-D188 IonicContact NE-OD1 3.17Å; R186-D188 PolarHBondContact NE-OD1 3.39Å; R186-D188 IonicContact NE-OD2 3.67Å; R186-D188 PolarHBondContact NE-OD2 2.89Å; R186-D188 IonicContact NH2-OD1 3.86Å; R186-D188 IonicContact NH2-OD2 2.71Å; R186-D188 PolarHBondContact NH2-OD2 3.41Å; R186-D188 PolarHBondContact O-N 2.83Å; R186-D188 VanDerWaalsContact O-N 3.12Å; D188-F190 VanDerWaalsContact C-N 3.34Å; D188-A191 WeakPolarHBondContact O-CB 3.5Å; D188-A191 PolarHBondContact O-N 3.11Å; D188-Y192 VanDerWaalsContact O-CD2 3.25Å; D188-Y192 WeakPolarHBondContact O-CD2 3.32Å; D188-Y192 PolarHBondContact O-N 2.92Å; D188-L360 HydrophobicContact CB-CD2 4.41Å
189Y95Very high94.9Very high1 Ų136.7 Ų36.70%0.00420%0.203CC..Hα-helixtrans-65.7-40.7172.9-90.6-118.7000111.6R186 A191 Y192 L193 Y330 D357 S358 P380 G381 I383R186-Y189 WeakPolarHBondContact O-CB 3.2Å; R186-Y189 PolarHBondContact O-N 3.4Å; Y189-A191 VanDerWaalsContact C-N 3.28Å; Y189-A191 PolarHBondContact O-N 2.99Å; Y189-Y192 WeakPolarHBondContact O-CB 3.25Å; Y189-Y192 PolarHBondContact O-N 2.85Å; Y189-L193 WeakPolarHBondContact O-CB 3.19Å; Y189-L193 PolarHBondContact O-N 2.58Å; Y189-Y330 HydrophobicContact CD1-CD2 4.09Å; Y189-Y330 AromaticContact CD1-CE2 3.89Å; Y189-Y330 HydrophobicContact CD1-CE2 3.89Å; Y189-D357 WeakPolarHBondContact OH-CA 3.12Å; Y189-D357 PolarHBondContact OH-OD1 2.97Å; Y189-S358 VanDerWaalsContact CE2-O 3.3Å; Y189-S358 WeakPolarHBondContact CE2-O 3.36Å; Y189-S358 PolarHBondContact OH-N 3.42Å; Y189-S358 PolarHBondContact OH-O 3.06Å; Y189-P380 HydrophobicContact CD1-CG 4.27Å; Y189-P380 HydrophobicContact CD2-CG 3.46Å; Y189-P380 VanDerWaalsContact CD2-CG 3.46Å; Y189-P380 HydrophobicContact CE1-CG 4.11Å; Y189-P380 HydrophobicContact CE2-CG 3.24Å; Y189-P380 HydrophobicContact CG-CG 3.96Å; Y189-G381 VanDerWaalsContact CE1-C 3.45Å; Y189-G381 WeakPolarHBondContact CE1-O 3.12Å; Y189-G381 PolarHBondContact OH-O 3.47Å; Y189-I383 HydrophobicContact CD1-CD1 4.21Å; Y189-I383 HydrophobicContact CD1-CG1 3.54Å; Y189-I383 HydrophobicContact CE1-CG1 4.04Å; Y189-I383 HydrophobicContact CG-CG1 4.31Å; Y189-I383 WeakPolarHBondContact O-CD1 3.46Å
190F96.1Very high94.9Very high10 Ų1040 Ų404%0.04422%0.216CC..Hα-helixtrans-59.3-40.7171.2175-122000111.8I167 A171 M185 R186 D188 L193 L194 L214 V215 A218I167-F190 HydrophobicContact CG2-CE1 3.49Å; I167-F190 VanDerWaalsContact CG2-CE1 3.49Å; I167-F190 HydrophobicContact CG2-CZ 3.74Å; A171-F190 HydrophobicContact CB-CD1 3.89Å; A171-F190 HydrophobicContact CB-CE1 4.13Å; M185-F190 HydrophobicContact CE-CB 3.98Å; M185-F190 HydrophobicContact CE-CD2 3.64Å; M185-F190 HydrophobicContact CE-CG 4.14Å; M185-F190 HydrophobicContact CG-CB 4.18Å; M185-F190 HydrophobicContact SD-CB 3.96Å; M185-F190 HydrophobicContact SD-CD2 4.24Å; R186-F190 PolarHBondContact O-N 3.42Å; D188-F190 VanDerWaalsContact C-N 3.34Å; F190-L193 PolarHBondContact O-N 3.28Å; F190-L194 HydrophobicContact CD1-CD1 4.35Å; F190-L194 HydrophobicContact CD2-CD1 4.38Å; F190-L194 HydrophobicContact CD2-CG 4.33Å; F190-L194 HydrophobicContact CE1-CD1 3.86Å; F190-L194 HydrophobicContact CE2-CD1 3.87Å; F190-L194 HydrophobicContact CE2-CD2 4.12Å; F190-L194 HydrophobicContact CE2-CG 4Å; F190-L194 HydrophobicContact CZ-CD1 3.61Å; F190-L194 HydrophobicContact CZ-CD2 4.48Å; F190-L194 HydrophobicContact CZ-CG 4.26Å; F190-L194 WeakPolarHBondContact O-CG 3.48Å; F190-L194 PolarHBondContact O-N 2.93Å; F190-L194 VanDerWaalsContact O-N 3.1Å; F190-L214 HydrophobicContact CD1-CD2 4.39Å; F190-L214 HydrophobicContact CD2-CD2 4.34Å; F190-L214 HydrophobicContact CE1-CD1 4.3Å; F190-L214 HydrophobicContact CE1-CD2 4.17Å; F190-L214 HydrophobicContact CE1-CG 4.09Å; F190-L214 HydrophobicContact CE2-CD2 4.14Å; F190-L214 HydrophobicContact CE2-CG 3.89Å; F190-L214 HydrophobicContact CG-CD2 4.44Å; F190-L214 HydrophobicContact CZ-CD1 4.08Å; F190-L214 HydrophobicContact CZ-CD2 4.02Å; F190-L214 HydrophobicContact CZ-CG 3.59Å; F190-V215 HydrophobicContact CE2-CG2 4.23Å; F190-A218 HydrophobicContact CE2-CB 4.33Å; F190-A218 HydrophobicContact CZ-CB 3.68Å
191A95.3Very high95Very high49 Ų4942 Ų4241%0.40522%0.215SC..Hα-helixtrans-66-40.1174.200000112.7P187 D188 Y189 L194 S195P187-A191 PolarHBondContact O-N 3.42Å; D188-A191 WeakPolarHBondContact O-CB 3.5Å; D188-A191 PolarHBondContact O-N 3.11Å; Y189-A191 VanDerWaalsContact C-N 3.28Å; Y189-A191 PolarHBondContact O-N 2.99Å; A191-L194 PolarHBondContact O-N 3.33Å; A191-S195 WeakPolarHBondContact O-CB 3.32Å; A191-S195 PolarHBondContact O-N 3.4Å; A191-S195 PolarHBondContact O-OG 3.03Å
192Y94.2Very high95.1Very high89 Ų8945.8 Ų45.835%0.34923%0.226SC..Hα-helixtrans-58.7-50.3172.1-82.8-62.8000111.1D188 Y189 L194 S195 Y196D188-Y192 VanDerWaalsContact O-CD2 3.25Å; D188-Y192 WeakPolarHBondContact O-CD2 3.32Å; D188-Y192 PolarHBondContact O-N 2.92Å; Y189-Y192 WeakPolarHBondContact O-CB 3.25Å; Y189-Y192 PolarHBondContact O-N 2.85Å; Y192-L194 VanDerWaalsContact C-N 3.33Å; Y192-L194 PolarHBondContact O-N 3.26Å; Y192-S195 PolarHBondContact O-N 3.01Å; Y192-Y196 HydrophobicContact CD1-CD2 4.41Å; Y192-Y196 AromaticContact CD1-CE2 3.97Å; Y192-Y196 HydrophobicContact CD1-CE2 3.97Å; Y192-Y196 WeakPolarHBondContact O-CD2 3.34Å; Y192-Y196 PolarHBondContact O-N 3.42Å
193L96.8Very high95.2Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-52.5-50.5178.6-173.470.1000111.4M185 Y189 F190 S195 A197 V215 I302 A304 A328 I383M185-L193 HydrophobicContact SD-CD2 4.1Å; Y189-L193 WeakPolarHBondContact O-CB 3.19Å; Y189-L193 PolarHBondContact O-N 2.58Å; F190-L193 PolarHBondContact O-N 3.28Å; L193-S195 VanDerWaalsContact C-N 3.34Å; L193-S195 PolarHBondContact O-N 3.18Å; L193-A197 VanDerWaalsContact O-CB 3.23Å; L193-A197 WeakPolarHBondContact O-CB 3.42Å; L193-A197 PolarHBondContact O-N 3.03Å; L193-V215 HydrophobicContact CD2-CG2 4.23Å; L193-I302 HydrophobicContact CD1-CG2 3.91Å; L193-I302 HydrophobicContact CD2-CG2 3.71Å; L193-I302 HydrophobicContact CG-CG2 3.73Å; L193-A304 HydrophobicContact CD2-CB 4.31Å; L193-A328 HydrophobicContact CD1-CB 3.83Å; L193-I383 HydrophobicContact CB-CD1 3.77Å; L193-I383 HydrophobicContact CD1-CD1 4.04Å; L193-I383 HydrophobicContact CG-CD1 4.49Å
194L96.7Very high95.4Very high25 Ų2548.6 Ų48.613%0.13124%0.238CC..Hα-helixtrans-66.6-34.3179-64.3176.9000113.1F190 A191 Y192 N198 I199 A218F190-L194 HydrophobicContact CD1-CD1 4.35Å; F190-L194 HydrophobicContact CD2-CD1 4.38Å; F190-L194 HydrophobicContact CD2-CG 4.33Å; F190-L194 HydrophobicContact CE1-CD1 3.86Å; F190-L194 HydrophobicContact CE2-CD1 3.87Å; F190-L194 HydrophobicContact CE2-CD2 4.12Å; F190-L194 HydrophobicContact CE2-CG 4Å; F190-L194 HydrophobicContact CZ-CD1 3.61Å; F190-L194 HydrophobicContact CZ-CD2 4.48Å; F190-L194 HydrophobicContact CZ-CG 4.26Å; F190-L194 WeakPolarHBondContact O-CG 3.48Å; F190-L194 PolarHBondContact O-N 2.93Å; F190-L194 VanDerWaalsContact O-N 3.1Å; A191-L194 PolarHBondContact O-N 3.33Å; Y192-L194 VanDerWaalsContact C-N 3.33Å; Y192-L194 PolarHBondContact O-N 3.26Å; L194-N198 PolarHBondContact O-N 2.98Å; L194-I199 HydrophobicContact CB-CD1 4.38Å; L194-I199 HydrophobicContact CD2-CD1 3.52Å; L194-A218 HydrophobicContact CD1-CB 3.69Å; L194-A218 HydrophobicContact CD2-CB 3.77Å; L194-A218 HydrophobicContact CG-CB 4.4Å
195S96.6Very high95.6Very high86 Ų8645.3 Ų45.360%0.60122%0.22SC*.Hα-helixtrans-70.1-46.4-179.5-590000111.2A191 Y192 L193 A197 N198A191-S195 WeakPolarHBondContact O-CB 3.32Å; A191-S195 PolarHBondContact O-N 3.4Å; A191-S195 PolarHBondContact O-OG 3.03Å; Y192-S195 PolarHBondContact O-N 3.01Å; L193-S195 VanDerWaalsContact C-N 3.34Å; L193-S195 PolarHBondContact O-N 3.18Å; S195-A197 VanDerWaalsContact C-N 3.35Å; S195-N198 PolarHBondContact O-N 3.1Å; S195-N198 VanDerWaalsContact O-N 3.11Å
196Y96.9Very high95.8Very high83 Ų8345.2 Ų45.233%0.32522%0.22SC..Hα-helixtrans-72.3-27177-80.4-81.2000113.2Y192 N198 T326 E354 I356 T385Y192-Y196 HydrophobicContact CD1-CD2 4.41Å; Y192-Y196 AromaticContact CD1-CE2 3.97Å; Y192-Y196 HydrophobicContact CD1-CE2 3.97Å; Y192-Y196 WeakPolarHBondContact O-CD2 3.34Å; Y192-Y196 PolarHBondContact O-N 3.42Å; Y196-N198 PolarHBondContact O-N 3.48Å; Y196-T326 WeakPolarHBondContact O-CB 3.35Å; Y196-T326 PolarHBondContact O-OG1 3.3Å; Y196-E354 PolarHBondContact OH-OE2 3.05Å; Y196-I356 HydrophobicContact CD2-CD1 4.23Å; Y196-I356 HydrophobicContact CE1-CD1 4.37Å; Y196-I356 HydrophobicContact CE2-CD1 3.41Å; Y196-I356 VanDerWaalsContact CE2-CD1 3.41Å; Y196-I356 VanDerWaalsContact CZ-CD1 3.47Å; Y196-I356 VanDerWaalsContact OH-CD1 3.31Å; Y196-I356 WeakPolarHBondContact OH-CD1 3.4Å; Y196-T385 HydrophobicContact CD1-CG2 3.69Å; Y196-T385 HydrophobicContact CD2-CG2 3.87Å; Y196-T385 HydrophobicContact CE1-CG2 4.15Å; Y196-T385 HydrophobicContact CE2-CG2 4.34Å; Y196-T385 HydrophobicContact CG-CG2 3.51Å
197A97.2Very high96.1Very high0 Ų044.9 Ų44.90%022%0.218CC..THydrogen-bonded Turntrans-69.8-9.5169.600000113.8L193 S195 I199 S300 I302 T326 A328L193-A197 VanDerWaalsContact O-CB 3.23Å; L193-A197 WeakPolarHBondContact O-CB 3.42Å; L193-A197 PolarHBondContact O-N 3.03Å; S195-A197 VanDerWaalsContact C-N 3.35Å; A197-I199 VanDerWaalsContact C-N 3.31Å; A197-I199 HydrophobicContact CB-CD1 4.4Å; A197-I199 HydrophobicContact CB-CG1 4.11Å; A197-I199 PolarHBondContact O-N 3.34Å; A197-S300 WeakPolarHBondContact O-CB 3.4Å; A197-S300 PolarHBondContact O-OG 2.86Å; A197-S300 VanDerWaalsContact O-OG 3.13Å; A197-I302 HydrophobicContact CB-CD1 3.45Å; A197-I302 VanDerWaalsContact CB-CD1 3.45Å; A197-I302 HydrophobicContact CB-CG1 3.59Å; A197-T326 PolarHBondContact O-OG1 2.88Å; A197-A328 HydrophobicContact CB-CB 4.11Å
198N97Very high96.3Very high85 Ų8544.1 Ų44.146%0.45521%0.213SC..THydrogen-bonded Turntrans46.250.3174.6-17329.9000113.5L194 S195 Y196 Q200 T326L194-N198 PolarHBondContact O-N 2.98Å; S195-N198 PolarHBondContact O-N 3.1Å; S195-N198 VanDerWaalsContact O-N 3.11Å; Y196-N198 PolarHBondContact O-N 3.48Å; N198-Q200 PolarHBondContact ND2-NE2 2.86Å; N198-Q200 PolarHBondContact O-N 3.43Å; N198-Q200 PolarHBondContact OD1-NE2 2.79Å; N198-T326 HydrophobicContact CB-CG2 4.37Å
199I95.9Very high96.5Very high7 Ų742.8 Ų42.84%0.03621%0.206CC..  trans-71.7119.5-177.6-55156.5000109.4L194 A197 V205 V219 R222 I302L194-I199 HydrophobicContact CB-CD1 4.38Å; L194-I199 HydrophobicContact CD2-CD1 3.52Å; A197-I199 VanDerWaalsContact C-N 3.31Å; A197-I199 HydrophobicContact CB-CD1 4.4Å; A197-I199 HydrophobicContact CB-CG1 4.11Å; A197-I199 PolarHBondContact O-N 3.34Å; I199-V205 HydrophobicContact CG1-CG2 4.43Å; I199-V205 HydrophobicContact CG2-CG2 4.41Å; I199-V219 HydrophobicContact CD1-CG2 3.7Å; I199-V219 HydrophobicContact CG1-CG2 4.35Å; I199-V219 HydrophobicContact CG2-CG1 4.31Å; I199-R222 HydrophobicContact CB-CB 4.29Å; I199-R222 HydrophobicContact CG2-CB 3.8Å; I199-I302 HydrophobicContact CD1-CD1 3.91Å; I199-I302 HydrophobicContact CG1-CD1 4.28Å
200Q93.7Very high96.6Very high106 Ų10644.7 Ų44.750%0.49522%0.217SC..  trans-123.7173.9-179.4-61.3179.812.700111.1N198 R202 S203N198-Q200 PolarHBondContact ND2-NE2 2.86Å; N198-Q200 PolarHBondContact O-N 3.43Å; N198-Q200 PolarHBondContact OD1-NE2 2.79Å; Q200-R202 PolarHBondContact O-N 3Å; Q200-S203 WeakPolarHBondContact CA-OG 3.3Å; Q200-S203 PolarHBondContact N-OG 2.89Å; Q200-S203 WeakPolarHBondContact O-CB 3.27Å; Q200-S203 PolarHBondContact O-N 2.89Å; Q200-S203 PolarHBondContact O-OG 3.38Å; Q200-S203 VanDerWaalsContact O-OG 3.12Å
201H94.7Very high96.6Very high102 Ų10244.2 Ų44.247%0.47222%0.215SC..THydrogen-bonded Turntrans-60.6132.5169.6-175.780.7000110.1S203 N226H201-S203 VanDerWaalsContact C-N 3.26Å; H201-S203 PolarHBondContact O-N 3.01Å; H201-N226 WeakPolarHBondContact CE1-CB 3.45Å; H201-N226 PolarHBondContact CE1-ND2 3.01Å; H201-N226 PolarHBondContact CE1-OD1 2.74Å; H201-N226 WeakPolarHBondContact ND1-CB 3.34Å
202R95.5Very high96.6Very high183 Ų18342.9 Ų42.969%0.69120%0.202SC*.THydrogen-bonded Turntrans71.24.3-175.6-59.4171.2179.2-170.8-3.8116.3Q200 R204 N226Q200-R202 PolarHBondContact O-N 3Å; R202-R204 PolarHBondContact O-N 3.25Å; R202-N226 VanDerWaalsContact CA-O 3.31Å; R202-N226 WeakPolarHBondContact CA-O 3.36Å; R202-N226 HydrophobicContact CG-CB 4.22Å; R202-N226 PolarHBondContact N-O 3.03Å; R202-N226 VanDerWaalsContact N-O 3.1Å
203S96.1Very high96.8Very high9 Ų938.6 Ų38.66%0.06319%0.185CC..  trans-59139175-65.80000111.9Q200 H201 G227 L228 D299Q200-S203 WeakPolarHBondContact CA-OG 3.3Å; Q200-S203 PolarHBondContact N-OG 2.89Å; Q200-S203 WeakPolarHBondContact O-CB 3.27Å; Q200-S203 PolarHBondContact O-N 2.89Å; Q200-S203 PolarHBondContact O-OG 3.38Å; Q200-S203 VanDerWaalsContact O-OG 3.12Å; H201-S203 VanDerWaalsContact C-N 3.26Å; H201-S203 PolarHBondContact O-N 3.01Å; S203-G227 WeakPolarHBondContact O-CA 3.43Å; S203-L228 PolarHBondContact O-N 2.97Å; S203-D299 VanDerWaalsContact CA-OD2 3.32Å; S203-D299 WeakPolarHBondContact CA-OD2 3.25Å
204R98Very high96.8Very high53 Ų5338.7 Ų38.720%0.219%0.185CC..EExtended strand (participates in β ladder)trans-96.9106.9166.3-66.2173.560.992.9-3.5107.9R202 L228 L292 G296 N297 F298 D299 S300R202-R204 PolarHBondContact O-N 3.25Å; R204-L228 CarbonylContact C-O 3.5Å; R204-L228 WeakPolarHBondContact CA-O 3.41Å; R204-L228 HydrophobicContact CB-CB 4.36Å; R204-L228 HydrophobicContact CG-CB 4.06Å; R204-L292 PolarHBondContact NH2-O 3.43Å; R204-G296 PolarHBondContact NE-O 3.21Å; R204-G296 PolarHBondContact NH2-O 3.03Å; R204-N297 WeakPolarHBondContact CD-O 3.37Å; R204-N297 PolarHBondContact NE-O 3.48Å; R204-F298 HydrophobicContact CB-CD1 3.92Å; R204-F298 HydrophobicContact CB-CG 4.46Å; R204-F298 CarbonylContact O-C 3.53Å; R204-F298 VanDerWaalsContact O-CA 3.32Å; R204-F298 WeakPolarHBondContact O-CA 3.31Å; R204-F298 WeakPolarHBondContact O-CB 3.48Å; R204-D299 PolarHBondContact N-OD2 2.91Å; R204-D299 PolarHBondContact O-N 3.23Å; R204-S300 PolarHBondContact O-N 3.07Å
205V98.5Very high96.9Very high0 Ų037.5 Ų37.50%018%0.179CC..EExtended strand (participates in β ladder)trans-110.8127-175.5-172.10000109.8I199 V207 V219 L228 L230 S300 I302I199-V205 HydrophobicContact CG1-CG2 4.43Å; I199-V205 HydrophobicContact CG2-CG2 4.41Å; V205-V207 HydrophobicContact CG1-CG2 3.77Å; V205-V219 HydrophobicContact CB-CG1 3.85Å; V205-V219 HydrophobicContact CB-CG2 4.37Å; V205-V219 HydrophobicContact CG1-CG1 4.33Å; V205-V219 HydrophobicContact CG1-CG2 3.94Å; V205-V219 HydrophobicContact CG2-CG1 3.75Å; V205-L228 PolarHBondContact N-O 3.46Å; V205-L230 PolarHBondContact O-N 3.03Å; V205-S300 WeakPolarHBondContact CG1-OG 3.43Å; V205-I302 HydrophobicContact CG1-CD1 3.72Å; V205-I302 HydrophobicContact CG1-CG1 3.91Å
206L98.6Very high97Very high0 Ų033.4 Ų33.40%015%0.15CC..EExtended strand (participates in β ladder)trans-95.3122.1171-174.661.6000108.4L230 L232 F293 F298 S300 L301 I302 L317 A320 I321L206-L230 HydrophobicContact CD1-CB 4.31Å; L206-L230 HydrophobicContact CD1-CD2 3.78Å; L206-L232 HydrophobicContact CD1-CD1 3.98Å; L206-L232 HydrophobicContact CD1-CD2 4.28Å; L206-L232 HydrophobicContact CD1-CG 3.84Å; L206-L232 HydrophobicContact CG-CD1 4.46Å; L206-F293 HydrophobicContact CD1-CD2 4.08Å; L206-F293 HydrophobicContact CD1-CE2 4.09Å; L206-F293 HydrophobicContact CD2-CE2 3.96Å; L206-F298 HydrophobicContact CB-CB 4.38Å; L206-F298 HydrophobicContact CB-CD1 3.88Å; L206-F298 HydrophobicContact CB-CE1 4.32Å; L206-F298 HydrophobicContact CB-CG 4.02Å; L206-F298 HydrophobicContact CD1-CZ 4.48Å; L206-S300 PolarHBondContact N-O 3.27Å; L206-L301 HydrophobicContact CB-CD1 4.27Å; L206-L301 HydrophobicContact CD2-CD1 4.06Å; L206-L301 HydrophobicContact CG-CD1 4.08Å; L206-L301 WeakPolarHBondContact O-CA 3.45Å; L206-I302 PolarHBondContact O-N 3.32Å; L206-L317 HydrophobicContact CD2-CD2 4.33Å; L206-A320 HydrophobicContact CD2-CB 4.1Å; L206-I321 HydrophobicContact CB-CD1 4.15Å; L206-I321 HydrophobicContact CD2-CD1 4.15Å
207V98.5Very high97Very high0 Ų029.4 Ų29.40%014%0.135CC..EExtended strand (participates in β ladder)trans-120.6134.1-175.1-177.20000110.2V205 E209 V215 V219 L230 Q231 L232 I302V205-V207 HydrophobicContact CG1-CG2 3.77Å; V207-E209 HydrophobicContact CG1-CB 4Å; V207-E209 HydrophobicContact CG1-CG 3.91Å; V207-V215 HydrophobicContact CG1-CB 4.21Å; V207-V215 HydrophobicContact CG1-CG1 3.84Å; V207-V219 HydrophobicContact CG2-CG2 4.15Å; V207-L230 PolarHBondContact N-O 3.21Å; V207-Q231 CarbonylContact O-C 3.44Å; V207-Q231 VanDerWaalsContact O-CA 3.3Å; V207-Q231 WeakPolarHBondContact O-CA 3.25Å; V207-L232 PolarHBondContact O-N 3.42Å; V207-I302 CarbonylContact C-O 3.52Å; V207-I302 WeakPolarHBondContact CA-O 3.11Å
208V98.1Very high97Very high8 Ų829.5 Ų29.55%0.04814%0.135CC..EExtended strand (participates in β ladder)trans-122.4108.7164.2-164.90000107.4L232 M262 I302 I303 A304 L309 L317V208-L232 HydrophobicContact CG2-CB 4.16Å; V208-L232 HydrophobicContact CG2-CD1 4.29Å; V208-M262 HydrophobicContact CG1-CE 3.75Å; V208-M262 HydrophobicContact CG2-CE 3.98Å; V208-I302 PolarHBondContact N-O 3.49Å; V208-I303 HydrophobicContact CB-CG1 4.41Å; V208-I303 HydrophobicContact CG2-CG1 4.39Å; V208-I303 CarbonylContact O-C 3.51Å; V208-I303 WeakPolarHBondContact O-CA 3.41Å; V208-A304 PolarHBondContact O-N 3.34Å; V208-L309 HydrophobicContact CB-CD1 4.15Å; V208-L309 HydrophobicContact CG1-CD1 3.72Å; V208-L317 HydrophobicContact CG2-CD1 4.1Å; V208-L317 HydrophobicContact CG2-CD2 4.36Å
209E97.4Very high97.1Very high3 Ų325.5 Ų25.51%0.01411%0.114CC..EExtended strand (participates in β ladder)trans-139.3145.1-175.970.216613900115.1V207 G213 L214 V215 S216 Q231 S240 A304V207-E209 HydrophobicContact CG1-CB 4Å; V207-E209 HydrophobicContact CG1-CG 3.91Å; E209-G213 VanDerWaalsContact CD-CA 3.49Å; E209-G213 VanDerWaalsContact OE1-CA 3.28Å; E209-G213 WeakPolarHBondContact OE1-CA 3.48Å; E209-G213 VanDerWaalsContact OE2-C 3.28Å; E209-G213 WeakPolarHBondContact OE2-CA 3.42Å; E209-G213 PolarHBondContact OE2-N 2.97Å; E209-L214 PolarHBondContact OE2-N 3.32Å; E209-L214 VanDerWaalsContact OE2-N 3.07Å; E209-V215 HydrophobicContact CB-CB 4.28Å; E209-V215 HydrophobicContact CB-CG2 4.29Å; E209-V215 HydrophobicContact CG-CB 4.45Å; E209-V215 WeakPolarHBondContact OE2-CB 3.47Å; E209-V215 PolarHBondContact OE2-N 2.75Å; E209-S216 WeakPolarHBondContact OE1-CA 3.05Å; E209-S216 WeakPolarHBondContact OE1-CB 3.43Å; E209-S216 PolarHBondContact OE1-N 3.23Å; E209-S216 PolarHBondContact OE1-OG 2.94Å; E209-Q231 HydrophobicContact CG-CG 4.5Å; E209-Q231 VanDerWaalsContact CG-NE2 3.31Å; E209-S240 VanDerWaalsContact O-CB 3.32Å; E209-S240 WeakPolarHBondContact O-CB 3.22Å; E209-S240 PolarHBondContact O-OG 2.79Å; E209-A304 CarbonylContact C-O 3.5Å; E209-A304 WeakPolarHBondContact CA-O 3.37Å
210D96.1Very high97.2Very high41 Ų4125.1 Ų25.122%0.21911%0.112CC..  trans-116.221.4166.5-67.2-44.6000111.9C212 A304 N306 Y307D210-C212 VanDerWaalsContact C-N 3.35Å; D210-C212 PolarHBondContact O-N 3.22Å; D210-A304 PolarHBondContact N-O 2.87Å; D210-N306 WeakPolarHBondContact CB-ND2 3.4Å; D210-N306 PolarHBondContact OD2-N 3.49Å; D210-Y307 VanDerWaalsContact OD2-CD2 3.31Å; D210-Y307 WeakPolarHBondContact OD2-CD2 3.37Å; D210-Y307 VanDerWaalsContact OD2-CE2 3.28Å; D210-Y307 WeakPolarHBondContact OD2-CE2 3.33Å
211C96.5Very high97.2Very high0 Ų023.7 Ų23.70%011%0.108CC..SBendtrans-93.842-177.3-58.20000113.4L182 M185 G213 L214 V215 S240L182-C211 HydrophobicContact CD2-CB 3.94Å; L182-C211 VanDerWaalsContact CD2-O 3.25Å; L182-C211 WeakPolarHBondContact CD2-O 3.35Å; M185-C211 HydrophobicContact CE-CB 4.43Å; C211-G213 PolarHBondContact O-N 3.49Å; C211-G213 VanDerWaalsContact O-N 3.13Å; C211-L214 HydrophobicContact CB-CB 4.37Å; C211-L214 WeakPolarHBondContact O-CB 3.42Å; C211-L214 PolarHBondContact O-N 2.92Å; C211-V215 HydrophobicContact CB-CG2 4.42Å; C211-S240 PolarHBondContact N-OG 2.98Å
212C96.4Very high97.3Very high20 Ų2026.7 Ų26.714%0.13512%0.115CC..THydrogen-bonded Turntrans57.123.1-179.7-61.40000115.4Y174 K181 L182 D210 L214 S240 I241 P242 C243Y174-C212 HydrophobicContact CE1-CB 4.15Å; K181-C212 PolarHBondContact O-SG 3.46Å; K181-C212 VanDerWaalsContact O-SG 3.39Å; L182-C212 HydrophobicContact CD2-CB 4.48Å; D210-C212 VanDerWaalsContact C-N 3.35Å; D210-C212 PolarHBondContact O-N 3.22Å; C212-L214 VanDerWaalsContact C-N 3.31Å; C212-S240 PolarHBondContact N-OG 3.12Å; C212-I241 CarbonylContact O-C 3.45Å; C212-P242 WeakPolarHBondContact O-CD 3.43Å; C212-C243 WeakPolarHBondContact O-CB 3.3Å; C212-C243 PolarHBondContact O-N 2.96Å; C212-C243 PolarHBondContact O-SG 2.82Å
213G97.2Very high97.2Very high0 Ų018.1 Ų18.10%08%0.083CC..THydrogen-bonded Turntrans79.811.8-176.200000113.6E209 C211 A217 S240E209-G213 VanDerWaalsContact CD-CA 3.49Å; E209-G213 VanDerWaalsContact OE1-CA 3.28Å; E209-G213 WeakPolarHBondContact OE1-CA 3.48Å; E209-G213 VanDerWaalsContact OE2-C 3.28Å; E209-G213 WeakPolarHBondContact OE2-CA 3.42Å; E209-G213 PolarHBondContact OE2-N 2.97Å; C211-G213 PolarHBondContact O-N 3.49Å; C211-G213 VanDerWaalsContact O-N 3.13Å; G213-A217 WeakPolarHBondContact O-CB 3.16Å; G213-A217 PolarHBondContact O-N 2.91Å; G213-S240 WeakPolarHBondContact CA-O 3.22Å; G213-S240 VanDerWaalsContact N-C 3.35Å; G213-S240 PolarHBondContact N-O 3.03Å; G213-S240 PolarHBondContact N-OG 3.03Å
214L98Very high97Very high1 Ų122.9 Ų22.91%0.00511%0.108CC..Hα-helixtrans-65.2-40.5-176.6-178.664.4000111.6L170 A171 L182 F190 E209 C211 C212 A218 C243L170-L214 HydrophobicContact CB-CD1 3.91Å; A171-L214 HydrophobicContact CB-CD1 4.48Å; A171-L214 HydrophobicContact CB-CD2 3.94Å; L182-L214 HydrophobicContact CD1-CD2 3.71Å; L182-L214 HydrophobicContact CD2-CB 4.24Å; L182-L214 HydrophobicContact CD2-CD2 3.88Å; L182-L214 HydrophobicContact CG-CD2 4.43Å; F190-L214 HydrophobicContact CD1-CD2 4.39Å; F190-L214 HydrophobicContact CD2-CD2 4.34Å; F190-L214 HydrophobicContact CE1-CD1 4.3Å; F190-L214 HydrophobicContact CE1-CD2 4.17Å; F190-L214 HydrophobicContact CE1-CG 4.09Å; F190-L214 HydrophobicContact CE2-CD2 4.14Å; F190-L214 HydrophobicContact CE2-CG 3.89Å; F190-L214 HydrophobicContact CG-CD2 4.44Å; F190-L214 HydrophobicContact CZ-CD1 4.08Å; F190-L214 HydrophobicContact CZ-CD2 4.02Å; F190-L214 HydrophobicContact CZ-CG 3.59Å; E209-L214 PolarHBondContact OE2-N 3.32Å; E209-L214 VanDerWaalsContact OE2-N 3.07Å; C211-L214 HydrophobicContact CB-CB 4.37Å; C211-L214 WeakPolarHBondContact O-CB 3.42Å; C211-L214 PolarHBondContact O-N 2.92Å; C212-L214 VanDerWaalsContact C-N 3.31Å; L214-A218 WeakPolarHBondContact O-CB 3.4Å; L214-A218 PolarHBondContact O-N 2.78Å; L214-C243 HydrophobicContact CB-CB 4.38Å
215V98.1Very high96.6Very high0 Ų020.5 Ų20.50%010%0.1CC..Hα-helixtrans-68.4-49.9-179179.80000109.9F190 L193 V207 E209 C211 A217 A218 V219 I302 A304F190-V215 HydrophobicContact CE2-CG2 4.23Å; L193-V215 HydrophobicContact CD2-CG2 4.23Å; V207-V215 HydrophobicContact CG1-CB 4.21Å; V207-V215 HydrophobicContact CG1-CG1 3.84Å; E209-V215 HydrophobicContact CB-CB 4.28Å; E209-V215 HydrophobicContact CB-CG2 4.29Å; E209-V215 HydrophobicContact CG-CB 4.45Å; E209-V215 WeakPolarHBondContact OE2-CB 3.47Å; E209-V215 PolarHBondContact OE2-N 2.75Å; C211-V215 HydrophobicContact CB-CG2 4.42Å; V215-A217 VanDerWaalsContact C-N 3.33Å; V215-A217 PolarHBondContact O-N 3.21Å; V215-A218 WeakPolarHBondContact O-CB 3.38Å; V215-A218 PolarHBondContact O-N 3.16Å; V215-A218 VanDerWaalsContact O-N 3.09Å; V215-V219 WeakPolarHBondContact O-CG2 3.48Å; V215-V219 PolarHBondContact O-N 2.97Å; V215-I302 HydrophobicContact CG1-CB 4.18Å; V215-I302 HydrophobicContact CG1-CD1 4.1Å; V215-I302 HydrophobicContact CG1-CG2 3.61Å; V215-A304 HydrophobicContact CG2-CB 4.25Å
216S98Very high96.4Very high0 Ų023.2 Ų23.20%012%0.115CC..Hα-helixtrans-62.2-40.6176.9-59.10000111.4E209 A218 V219 L220 Q231E209-S216 WeakPolarHBondContact OE1-CA 3.05Å; E209-S216 WeakPolarHBondContact OE1-CB 3.43Å; E209-S216 PolarHBondContact OE1-N 3.23Å; E209-S216 PolarHBondContact OE1-OG 2.94Å; S216-A218 VanDerWaalsContact C-N 3.28Å; S216-A218 PolarHBondContact O-N 3.16Å; S216-V219 PolarHBondContact O-N 2.87Å; S216-L220 WeakPolarHBondContact O-CG 3.48Å; S216-L220 PolarHBondContact O-N 3.29Å; S216-Q231 PolarHBondContact OG-OE1 2.87Å
217A97.9Very high96.3Very high0 Ų024.8 Ų24.80%013%0.131CC..Hα-helixtrans-58.9-41.2174.100000111.4I167 G213 V215 L220 D221 C243 I244 M247 Y249I167-A217 HydrophobicContact CD1-CB 3.76Å; G213-A217 WeakPolarHBondContact O-CB 3.16Å; G213-A217 PolarHBondContact O-N 2.91Å; V215-A217 VanDerWaalsContact C-N 3.33Å; V215-A217 PolarHBondContact O-N 3.21Å; A217-L220 PolarHBondContact O-N 3Å; A217-D221 WeakPolarHBondContact O-CB 3.41Å; A217-D221 PolarHBondContact O-N 3.44Å; A217-C243 HydrophobicContact CB-CB 4.27Å; A217-I244 HydrophobicContact CB-CG1 3.97Å; A217-M247 HydrophobicContact CB-CG 4.4Å; A217-Y249 HydrophobicContact CB-CE2 4.37Å; A217-Y249 PolarHBondContact O-OH 3.28Å
218A97.8Very high96.2Very high1 Ų125.4 Ų25.41%0.00813%0.134CC..Hα-helixtrans-70.2-35.6177.400000113.3I167 F190 L194 L214 V215 S216 L220 D221 R222I167-A218 HydrophobicContact CD1-CB 4.21Å; I167-A218 HydrophobicContact CG1-CB 4.29Å; I167-A218 HydrophobicContact CG2-CB 3.7Å; F190-A218 HydrophobicContact CE2-CB 4.33Å; F190-A218 HydrophobicContact CZ-CB 3.68Å; L194-A218 HydrophobicContact CD1-CB 3.69Å; L194-A218 HydrophobicContact CD2-CB 3.77Å; L194-A218 HydrophobicContact CG-CB 4.4Å; L214-A218 WeakPolarHBondContact O-CB 3.4Å; L214-A218 PolarHBondContact O-N 2.78Å; V215-A218 WeakPolarHBondContact O-CB 3.38Å; V215-A218 PolarHBondContact O-N 3.16Å; V215-A218 VanDerWaalsContact O-N 3.09Å; S216-A218 VanDerWaalsContact C-N 3.28Å; S216-A218 PolarHBondContact O-N 3.16Å; A218-L220 VanDerWaalsContact C-N 3.32Å; A218-L220 PolarHBondContact O-N 3.07Å; A218-D221 PolarHBondContact O-N 2.78Å; A218-R222 VanDerWaalsContact O-CB 3.3Å; A218-R222 WeakPolarHBondContact O-CB 3.31Å; A218-R222 WeakPolarHBondContact O-CG 3.31Å; A218-R222 PolarHBondContact O-N 2.83Å
219V97.9Very high96.2Very high1 Ų125.1 Ų25.11%0.00613%0.132CC..Hα-helixtrans-59.1-46.4171.3174.10000110.3I199 V205 V207 V215 S216 R222 S223 C229 I302I199-V219 HydrophobicContact CD1-CG2 3.7Å; I199-V219 HydrophobicContact CG1-CG2 4.35Å; I199-V219 HydrophobicContact CG2-CG1 4.31Å; V205-V219 HydrophobicContact CB-CG1 3.85Å; V205-V219 HydrophobicContact CB-CG2 4.37Å; V205-V219 HydrophobicContact CG1-CG1 4.33Å; V205-V219 HydrophobicContact CG1-CG2 3.94Å; V205-V219 HydrophobicContact CG2-CG1 3.75Å; V207-V219 HydrophobicContact CG2-CG2 4.15Å; V215-V219 WeakPolarHBondContact O-CG2 3.48Å; V215-V219 PolarHBondContact O-N 2.97Å; S216-V219 PolarHBondContact O-N 2.87Å; V219-R222 PolarHBondContact O-N 3.08Å; V219-S223 VanDerWaalsContact O-CB 3.24Å; V219-S223 WeakPolarHBondContact O-CB 3.18Å; V219-S223 PolarHBondContact O-N 3.28Å; V219-S223 PolarHBondContact O-OG 2.85Å; V219-C229 HydrophobicContact CB-CB 4.38Å; V219-C229 HydrophobicContact CG1-CB 3.71Å; V219-I302 HydrophobicContact CG2-CD1 4.03Å
220L97.4Very high96.3Very high0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-64.1-40.6177.8-64.9173.2000112.5S216 A217 A218 S223 D224 G225 C229 I244 Y249 I253 M254 C256 Y257S216-L220 WeakPolarHBondContact O-CG 3.48Å; S216-L220 PolarHBondContact O-N 3.29Å; A217-L220 PolarHBondContact O-N 3Å; A218-L220 VanDerWaalsContact C-N 3.32Å; A218-L220 PolarHBondContact O-N 3.07Å; L220-S223 PolarHBondContact O-OG 3.16Å; L220-D224 PolarHBondContact O-N 3.06Å; L220-D224 VanDerWaalsContact O-N 3.15Å; L220-G225 PolarHBondContact O-N 3.41Å; L220-C229 HydrophobicContact CD2-CB 3.93Å; L220-C229 HydrophobicContact CG-CB 4.44Å; L220-I244 HydrophobicContact CD1-CG2 4.34Å; L220-Y249 HydrophobicContact CB-CD2 4.36Å; L220-Y249 HydrophobicContact CB-CE2 3.89Å; L220-Y249 HydrophobicContact CD1-CD2 4.03Å; L220-Y249 HydrophobicContact CD1-CE2 4.01Å; L220-I253 HydrophobicContact CB-CG2 4Å; L220-I253 HydrophobicContact CD2-CG2 4.45Å; L220-M254 HydrophobicContact CD1-SD 4.35Å; L220-C256 HydrophobicContact CD2-CB 4.3Å; L220-Y257 HydrophobicContact CD1-CD2 4.35Å; L220-Y257 HydrophobicContact CD1-CG 4.14Å
221D95.4Very high96.4Very high75 Ų7523 Ų2340%0.40112%0.121SC..Hα-helixtrans-64-46.9177.4-162.362000111.6I167 A217 A218 D224 Y249I167-D221 HydrophobicContact CD1-CB 4.2Å; I167-D221 HydrophobicContact CG1-CB 3.69Å; I167-D221 WeakPolarHBondContact CG1-OD2 3.39Å; A217-D221 WeakPolarHBondContact O-CB 3.41Å; A217-D221 PolarHBondContact O-N 3.44Å; A218-D221 PolarHBondContact O-N 2.78Å; D221-D224 PolarHBondContact O-N 3.08Å; D221-Y249 WeakPolarHBondContact CB-OH 3.34Å
222R95.7Very high96.4Very high165 Ų16523 Ų2362%0.62312%0.121SC*.Hα-helixtrans-73.1-30.3-177.3-68.5-71.3-66.8-166.7-3.7113.5I199 A218 V219I199-R222 HydrophobicContact CB-CB 4.29Å; I199-R222 HydrophobicContact CG2-CB 3.8Å; A218-R222 VanDerWaalsContact O-CB 3.3Å; A218-R222 WeakPolarHBondContact O-CB 3.31Å; A218-R222 WeakPolarHBondContact O-CG 3.31Å; A218-R222 PolarHBondContact O-N 2.83Å; V219-R222 PolarHBondContact O-N 3.08Å
223S93.9Very high96.4Very high4 Ų422.7 Ų22.73%0.02812%0.118CC..Hα-helixtrans-87.9-8.1178.363.70000113.4V219 L220 G225 N226V219-S223 VanDerWaalsContact O-CB 3.24Å; V219-S223 WeakPolarHBondContact O-CB 3.18Å; V219-S223 PolarHBondContact O-N 3.28Å; V219-S223 PolarHBondContact O-OG 2.85Å; L220-S223 PolarHBondContact O-OG 3.16Å; S223-G225 PolarHBondContact O-N 2.95Å; S223-N226 WeakPolarHBondContact CB-O 3.36Å; S223-N226 WeakPolarHBondContact O-CB 3.45Å; S223-N226 PolarHBondContact O-N 2.71Å
224D92.8Very high96.2Very high108 Ų10830.6 Ų30.658%0.57815%0.147SC*.THydrogen-bonded Turntrans48.940.8-176.2-168.834.5000112.5L220 D221 N226L220-D224 PolarHBondContact O-N 3.06Å; L220-D224 VanDerWaalsContact O-N 3.15Å; D221-D224 PolarHBondContact O-N 3.08Å; D224-N226 VanDerWaalsContact C-N 3.35Å; D224-N226 PolarHBondContact O-N 3.15Å; D224-N226 PolarHBondContact O-ND2 3.47Å
225G88.3Confident95.8Very high4 Ų432.3 Ų32.34%0.04117%0.165CC..THydrogen-bonded Turntrans69.827.2-179.300000115.2L220 S223 C256L220-G225 PolarHBondContact O-N 3.41Å; S223-G225 PolarHBondContact O-N 2.95Å; G225-C256 PolarHBondContact O-SG 3.42Å
226N94.3Very high95.2Very high57 Ų5738.1 Ų38.131%0.30520%0.196SC..  trans-123.1127.3177-70.4-96.3000110.9H201 R202 S223 D224H201-N226 WeakPolarHBondContact CE1-CB 3.45Å; H201-N226 PolarHBondContact CE1-ND2 3.01Å; H201-N226 PolarHBondContact CE1-OD1 2.74Å; H201-N226 WeakPolarHBondContact ND1-CB 3.34Å; R202-N226 VanDerWaalsContact CA-O 3.31Å; R202-N226 WeakPolarHBondContact CA-O 3.36Å; R202-N226 HydrophobicContact CG-CB 4.22Å; R202-N226 PolarHBondContact N-O 3.03Å; R202-N226 VanDerWaalsContact N-O 3.1Å; S223-N226 WeakPolarHBondContact CB-O 3.36Å; S223-N226 WeakPolarHBondContact O-CB 3.45Å; S223-N226 PolarHBondContact O-N 2.71Å; D224-N226 VanDerWaalsContact C-N 3.35Å; D224-N226 PolarHBondContact O-N 3.15Å; D224-N226 PolarHBondContact O-ND2 3.47Å
227G96Very high94.8Very high33 Ų3343.5 Ų43.534%0.3422%0.222SC..SBendtrans108-141.7-17600000111.3S203 C256S203-G227 WeakPolarHBondContact O-CA 3.43Å; G227-C256 PolarHBondContact O-SG 3.46Å
228L97.9Very high94.7Very high13 Ų1344 Ų447%0.06823%0.225CC..EExtended strand (participates in β ladder)trans-145.3128.3-178.5176.263.7000109.8S203 R204 V205 L230 R258 L292 F298S203-L228 PolarHBondContact O-N 2.97Å; R204-L228 CarbonylContact C-O 3.5Å; R204-L228 WeakPolarHBondContact CA-O 3.41Å; R204-L228 HydrophobicContact CB-CB 4.36Å; R204-L228 HydrophobicContact CG-CB 4.06Å; V205-L228 PolarHBondContact N-O 3.46Å; L228-L230 HydrophobicContact CD2-CB 4.43Å; L228-L230 HydrophobicContact CG-CB 4.29Å; L228-R258 HydrophobicContact CD1-CB 4.16Å; L228-R258 HydrophobicContact CD1-CG 3.77Å; L228-L292 HydrophobicContact CD1-CD1 4.23Å; L228-L292 HydrophobicContact CD2-CB 4.23Å; L228-F298 HydrophobicContact CD2-CE1 3.76Å; L228-F298 HydrophobicContact CD2-CZ 4.05Å; L228-F298 HydrophobicContact CG-CE1 4.36Å
229C98.2Very high94.5Very high1 Ų151.4 Ų51.41%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-110101.9164.6-179.30000107.5V219 L220 C256 Y257 R258V219-C229 HydrophobicContact CB-CB 4.38Å; V219-C229 HydrophobicContact CG1-CB 3.71Å; L220-C229 HydrophobicContact CD2-CB 3.93Å; L220-C229 HydrophobicContact CG-CB 4.44Å; C229-C256 PolarHBondContact N-O 2.93Å; C229-Y257 HydrophobicContact CB-CD2 4.34Å; C229-R258 PolarHBondContact O-N 2.98Å
230L98.2Very high94.2Very high0 Ų051.8 Ų51.80%026%0.262CS..EExtended strand (participates in β ladder)trans-100.9108.9177.3-163.8160.8000109V205 L206 V207 L228 L232 R258 L260 T289 L292 F293 F298V205-L230 PolarHBondContact O-N 3.03Å; L206-L230 HydrophobicContact CD1-CB 4.31Å; L206-L230 HydrophobicContact CD1-CD2 3.78Å; V207-L230 PolarHBondContact N-O 3.21Å; L228-L230 HydrophobicContact CD2-CB 4.43Å; L228-L230 HydrophobicContact CG-CB 4.29Å; L230-L232 HydrophobicContact CD2-CD2 3.47Å; L230-L232 VanDerWaalsContact CD2-CD2 3.47Å; L230-L232 HydrophobicContact CD2-CG 4.15Å; L230-R258 WeakPolarHBondContact CA-O 3.46Å; L230-R258 HydrophobicContact CG-CB 4.35Å; L230-L260 HydrophobicContact CD2-CB 4.05Å; L230-T289 HydrophobicContact CD1-CG2 3.83Å; L230-T289 HydrophobicContact CD2-CG2 4.46Å; L230-T289 HydrophobicContact CG-CG2 4Å; L230-L292 HydrophobicContact CD1-CB 4.33Å; L230-F293 HydrophobicContact CD1-CB 3.9Å; L230-F298 HydrophobicContact CB-CE1 3.85Å; L230-F298 HydrophobicContact CB-CZ 4.13Å; L230-F298 HydrophobicContact CD1-CE1 4.41Å; L230-F298 HydrophobicContact CD1-CZ 3.85Å
231Q98.1Very high94.2Very high0 Ų053.6 Ų53.60%027%0.272CS..EExtended strand (participates in β ladder)trans-93.6116.7176.9-173.7178.30.400110.7V207 E209 S216 S240 Y257 R258 K259 L260V207-Q231 CarbonylContact O-C 3.44Å; V207-Q231 VanDerWaalsContact O-CA 3.3Å; V207-Q231 WeakPolarHBondContact O-CA 3.25Å; E209-Q231 HydrophobicContact CG-CG 4.5Å; E209-Q231 VanDerWaalsContact CG-NE2 3.31Å; S216-Q231 PolarHBondContact OG-OE1 2.87Å; Q231-S240 PolarHBondContact NE2-O 3Å; Q231-S240 VanDerWaalsContact NE2-O 3.14Å; Q231-Y257 HydrophobicContact CB-CE2 3.97Å; Q231-Y257 PolarHBondContact OE1-OH 2.74Å; Q231-R258 PolarHBondContact N-O 3.38Å; Q231-K259 WeakPolarHBondContact O-CA 3.35Å; Q231-L260 PolarHBondContact O-N 2.9Å
232L97.6Very high94.2Very high0 Ų052 Ų520%027%0.266CS..EExtended strand (participates in β ladder)trans-81.1134.1165.8-54-179.9000108.9L206 V207 V208 L230 L260 M262 F293 L317L206-L232 HydrophobicContact CD1-CD1 3.98Å; L206-L232 HydrophobicContact CD1-CD2 4.28Å; L206-L232 HydrophobicContact CD1-CG 3.84Å; L206-L232 HydrophobicContact CG-CD1 4.46Å; V207-L232 PolarHBondContact O-N 3.42Å; V208-L232 HydrophobicContact CG2-CB 4.16Å; V208-L232 HydrophobicContact CG2-CD1 4.29Å; L230-L232 HydrophobicContact CD2-CD2 3.47Å; L230-L232 VanDerWaalsContact CD2-CD2 3.47Å; L230-L232 HydrophobicContact CD2-CG 4.15Å; L232-L260 VanDerWaalsContact CA-O 3.28Å; L232-L260 WeakPolarHBondContact CA-O 3.37Å; L232-L260 HydrophobicContact CD2-CB 3.81Å; L232-L260 HydrophobicContact CD2-CD2 3.87Å; L232-L260 HydrophobicContact CD2-CG 4.16Å; L232-M262 HydrophobicContact CB-CE 3.65Å; L232-M262 HydrophobicContact CB-SD 4.1Å; L232-M262 HydrophobicContact CD1-CE 3.85Å; L232-M262 HydrophobicContact CD1-SD 3.69Å; L232-M262 HydrophobicContact CG-CE 4.4Å; L232-M262 HydrophobicContact CG-SD 4.45Å; L232-F293 HydrophobicContact CD1-CE2 4.17Å; L232-F293 HydrophobicContact CD2-CD2 4.35Å; L232-F293 HydrophobicContact CD2-CE2 4.45Å; L232-L317 HydrophobicContact CD1-CD2 3.34Å
233H96.6Very high94.3Very high14 Ų1444.2 Ų44.27%0.06524%0.236CC..EExtended strand (participates in β ladder)trans-135.9154.2-179.96786.5000112G235 C238 L260 P261 M262H233-G235 PolarHBondContact CE1-O 3.01Å; H233-G235 PolarHBondContact ND1-O 2.85Å; H233-G235 VanDerWaalsContact ND1-O 3.17Å; H233-C238 HydrophobicContact CB-CB 4.14Å; H233-C238 PolarHBondContact CE1-N 2.88Å; H233-C238 PolarHBondContact ND1-N 2.85Å; H233-L260 PolarHBondContact CD2-O 3.48Å; H233-L260 PolarHBondContact N-O 2.87Å; H233-P261 CarbonylContact O-C 3.6Å; H233-P261 WeakPolarHBondContact O-CA 3.32Å; H233-M262 PolarHBondContact O-N 3.18Å
234R91.9Very high94.5Very high165 Ų16544.4 Ų44.462%0.62324%0.237SC*.SBendtrans-78.8150.3171.2-168.8176.7178.2173.70.4110.7Y307R234-Y307 HydrophobicContact CB-CE2 4.09Å
235G89.5Confident94.7Very high37 Ų3743.9 Ų43.938%0.38123%0.231SC..SBendtrans72.3177.3175.600000113.9H233 Q237H233-G235 PolarHBondContact CE1-O 3.01Å; H233-G235 PolarHBondContact ND1-O 2.85Å; H233-G235 VanDerWaalsContact ND1-O 3.17Å; G235-Q237 PolarHBondContact O-N 2.82Å
236D85.5Confident95.1Very high122 Ų12243.8 Ų43.865%0.65223%0.23SC*.SBendtrans-70.5-21.2-171.5-55.2-22.9000113.5
237Q90.5Very high95.3Very high114 Ų11442.4 Ų42.453%0.53322%0.222SC..SBendtrans-133.2131.7-176.5-57.2-63.5-29.500110.8G235 Q239G235-Q237 PolarHBondContact O-N 2.82Å; Q237-Q239 PolarHBondContact O-N 3.48Å; Q237-Q239 VanDerWaalsContact O-N 3.16Å
238C94.6Very high95.3Very high11 Ų1145.1 Ų45.17%0.07423%0.226CC..  trans-69.4108.9175.7-168.70000110.4H233 I241 K259H233-C238 HydrophobicContact CB-CB 4.14Å; H233-C238 PolarHBondContact CE1-N 2.88Å; H233-C238 PolarHBondContact ND1-N 2.85Å; C238-I241 HydrophobicContact CB-CG2 4.19Å; C238-K259 HydrophobicContact CB-CD 3.6Å; C238-K259 HydrophobicContact CB-CG 4.25Å
239Q93.7Very high95.2Very high156 Ų15645.9 Ų45.973%0.72923%0.228SC*.  trans-83.9-24.8178.1-61.7-60.1-36.500112.8Q237 I241 P242Q237-Q239 PolarHBondContact O-N 3.48Å; Q237-Q239 VanDerWaalsContact O-N 3.16Å; Q239-I241 PolarHBondContact O-N 2.76Å; Q239-P242 VanDerWaalsContact O-CD 3.26Å; Q239-P242 WeakPolarHBondContact O-CD 3.07Å
240S93.3Very high95.1Very high9 Ų949.1 Ų49.16%0.06325%0.249CC..  trans-82.766.6-177.8-1640000110.4E209 C211 C212 G213 Q231E209-S240 VanDerWaalsContact O-CB 3.32Å; E209-S240 WeakPolarHBondContact O-CB 3.22Å; E209-S240 PolarHBondContact O-OG 2.79Å; C211-S240 PolarHBondContact N-OG 2.98Å; C212-S240 PolarHBondContact N-OG 3.12Å; G213-S240 WeakPolarHBondContact CA-O 3.22Å; G213-S240 VanDerWaalsContact N-C 3.35Å; G213-S240 PolarHBondContact N-O 3.03Å; G213-S240 PolarHBondContact N-OG 3.03Å; Q231-S240 PolarHBondContact NE2-O 3Å; Q231-S240 VanDerWaalsContact NE2-O 3.14Å
241I95.8Very high95Very high38 Ų3854.3 Ų54.320%0.19529%0.285CS..  trans-130.3-16-178.865.7172.5000117C212 C238 Q239 C243 I244 E245 K259C212-I241 CarbonylContact O-C 3.45Å; C238-I241 HydrophobicContact CB-CG2 4.19Å; Q239-I241 PolarHBondContact O-N 2.76Å; I241-C243 VanDerWaalsContact C-N 3.29Å; I241-C243 PolarHBondContact O-N 3.07Å; I241-C243 VanDerWaalsContact O-N 3.13Å; I241-I244 WeakPolarHBondContact O-CA 3.38Å; I241-I244 WeakPolarHBondContact O-CB 3.42Å; I241-I244 PolarHBondContact O-N 2.96Å; I241-E245 PolarHBondContact O-N 3.03Å; I241-E245 VanDerWaalsContact O-N 3.09Å; I241-K259 HydrophobicContact CG2-CD 4.44Å
242P96.6Very high94.9Very high42 Ų4257.7 Ų57.727%0.27331%0.309SS..Hα-helixtrans-53.6-35.4-174.3-32.335.9000116.3C212 Q239 E245 A246C212-P242 WeakPolarHBondContact O-CD 3.43Å; Q239-P242 VanDerWaalsContact O-CD 3.26Å; Q239-P242 WeakPolarHBondContact O-CD 3.07Å; P242-E245 PolarHBondContact O-N 3.16Å; P242-A246 WeakPolarHBondContact O-CB 3.39Å; P242-A246 PolarHBondContact O-N 2.65Å
243C97.8Very high94.9Very high0 Ų058.6 Ų58.60%031%0.313CS..Hα-helixtrans-68.8-35.8176.5-70.30000112L170 C212 L214 A217 I241 A246 M247L170-C243 HydrophobicContact CD1-CB 4.16Å; C212-C243 WeakPolarHBondContact O-CB 3.3Å; C212-C243 PolarHBondContact O-N 2.96Å; C212-C243 PolarHBondContact O-SG 2.82Å; L214-C243 HydrophobicContact CB-CB 4.38Å; A217-C243 HydrophobicContact CB-CB 4.27Å; I241-C243 VanDerWaalsContact C-N 3.29Å; I241-C243 PolarHBondContact O-N 3.07Å; I241-C243 VanDerWaalsContact O-N 3.13Å; C243-A246 PolarHBondContact O-N 2.72Å; C243-M247 VanDerWaalsContact O-CG 3.32Å; C243-M247 WeakPolarHBondContact O-CG 3.47Å; C243-M247 PolarHBondContact O-N 3.12Å; C243-M247 VanDerWaalsContact O-N 3.1Å
244I97.3Very high94.9Very high8 Ų861 Ų614%0.04133%0.326CS..Hα-helixtrans-65.5-45.1175.1-56.5175.9000109.9A217 L220 I241 A246 M247 Q248 Y249 M254 Y257A217-I244 HydrophobicContact CB-CG1 3.97Å; L220-I244 HydrophobicContact CD1-CG2 4.34Å; I241-I244 WeakPolarHBondContact O-CA 3.38Å; I241-I244 WeakPolarHBondContact O-CB 3.42Å; I241-I244 PolarHBondContact O-N 2.96Å; I244-A246 VanDerWaalsContact C-N 3.3Å; I244-A246 PolarHBondContact O-N 3.43Å; I244-M247 PolarHBondContact O-N 3Å; I244-Q248 PolarHBondContact O-N 2.95Å; I244-Y249 HydrophobicContact CG2-CD2 4.33Å; I244-M254 HydrophobicContact CG2-CE 3.9Å; I244-M254 HydrophobicContact CG2-SD 3.92Å; I244-Y257 HydrophobicContact CD1-CD1 4.3Å; I244-Y257 HydrophobicContact CD1-CD2 4.4Å; I244-Y257 HydrophobicContact CD1-CE1 3.58Å; I244-Y257 HydrophobicContact CD1-CE2 3.7Å; I244-Y257 VanDerWaalsContact CD1-OH 3.26Å; I244-Y257 WeakPolarHBondContact CD1-OH 3.2Å
245E97.1Very high95Very high98 Ų9859.1 Ų59.146%0.45832%0.324SS..Hα-helixtrans-60.7-40.9175.5-65-177.4159.300111.8I241 P242 M247 Q248I241-E245 PolarHBondContact O-N 3.03Å; I241-E245 VanDerWaalsContact O-N 3.09Å; P242-E245 PolarHBondContact O-N 3.16Å; E245-M247 VanDerWaalsContact C-N 3.32Å; E245-M247 PolarHBondContact O-N 3.15Å; E245-Q248 WeakPolarHBondContact O-CG 3.15Å; E245-Q248 PolarHBondContact O-N 2.78Å
246A97.7Very high95.3Very high2 Ų257.9 Ų57.92%0.01731%0.309CS..Hα-helixtrans-67.3-30.118000000113.9Y8 L19 L170 P242 C243 I244 Q248Y8-A246 HydrophobicContact CD1-CB 3.81Å; Y8-A246 HydrophobicContact CE1-CB 4.27Å; Y8-A246 HydrophobicContact CG-CB 4.08Å; L19-A246 HydrophobicContact CD1-CB 4.11Å; L19-A246 HydrophobicContact CD2-CB 3.78Å; L170-A246 HydrophobicContact CD2-CB 4.22Å; P242-A246 WeakPolarHBondContact O-CB 3.39Å; P242-A246 PolarHBondContact O-N 2.65Å; C243-A246 PolarHBondContact O-N 2.72Å; I244-A246 VanDerWaalsContact C-N 3.3Å; I244-A246 PolarHBondContact O-N 3.43Å; A246-Q248 VanDerWaalsContact C-N 3.28Å
247M97.2Very high95.9Very high28 Ų2852.9 Ų52.914%0.13828%0.281CS..Hα-helixtrans-73.1-21.9175.8-71.7-62.7-7100112.6P165 I167 L170 A217 C243 I244 E245 Y249P165-M247 HydrophobicContact CB-SD 4.42Å; I167-M247 HydrophobicContact CD1-CE 4.08Å; I167-M247 HydrophobicContact CD1-CG 4.26Å; I167-M247 HydrophobicContact CD1-SD 4.15Å; I167-M247 HydrophobicContact CG1-CE 4.23Å; L170-M247 HydrophobicContact CD1-CG 3.88Å; L170-M247 HydrophobicContact CD1-SD 3.75Å; A217-M247 HydrophobicContact CB-CG 4.4Å; C243-M247 VanDerWaalsContact O-CG 3.32Å; C243-M247 WeakPolarHBondContact O-CG 3.47Å; C243-M247 PolarHBondContact O-N 3.12Å; C243-M247 VanDerWaalsContact O-N 3.1Å; I244-M247 PolarHBondContact O-N 3Å; E245-M247 VanDerWaalsContact C-N 3.32Å; E245-M247 PolarHBondContact O-N 3.15Å; M247-Y249 VanDerWaalsContact C-N 3.29Å; M247-Y249 HydrophobicContact CB-CD1 4.26Å; M247-Y249 HydrophobicContact CB-CD2 3.91Å; M247-Y249 HydrophobicContact CB-CE1 3.88Å; M247-Y249 HydrophobicContact CB-CE2 3.52Å; M247-Y249 HydrophobicContact CB-CG 4.26Å; M247-Y249 VanDerWaalsContact CB-CZ 3.49Å; M247-Y249 HydrophobicContact CE-CE1 3.8Å; M247-Y249 VanDerWaalsContact CE-OH 3.29Å; M247-Y249 WeakPolarHBondContact CE-OH 3.38Å; M247-Y249 HydrophobicContact CG-CE1 4.41Å; M247-Y249 HydrophobicContact CG-CE2 4.01Å; M247-Y249 PolarHBondContact O-N 2.92Å
248Q96.1Very high96.2Very high90 Ų9050.5 Ų50.542%0.42127%0.267SS..THydrogen-bonded Turntrans50.247.4178.3-57.4-174.4-79.800112.6G6 Y8 I244 E245 A246G6-Q248 PolarHBondContact O-NE2 3.49Å; G6-Q248 VanDerWaalsContact O-NE2 3.1Å; Y8-Q248 HydrophobicContact CD2-CG 3.99Å; I244-Q248 PolarHBondContact O-N 2.95Å; E245-Q248 WeakPolarHBondContact O-CG 3.15Å; E245-Q248 PolarHBondContact O-N 2.78Å; A246-Q248 VanDerWaalsContact C-N 3.28Å
249Y96.3Very high96.3Very high28 Ų2853.9 Ų53.911%0.1128%0.281CS..  trans-58.8140.6-179.8-66.9-57.8000112A217 L220 D221 I244 M247 I253 M254A217-Y249 HydrophobicContact CB-CE2 4.37Å; A217-Y249 PolarHBondContact O-OH 3.28Å; L220-Y249 HydrophobicContact CB-CD2 4.36Å; L220-Y249 HydrophobicContact CB-CE2 3.89Å; L220-Y249 HydrophobicContact CD1-CD2 4.03Å; L220-Y249 HydrophobicContact CD1-CE2 4.01Å; D221-Y249 WeakPolarHBondContact CB-OH 3.34Å; I244-Y249 HydrophobicContact CG2-CD2 4.33Å; M247-Y249 VanDerWaalsContact C-N 3.29Å; M247-Y249 HydrophobicContact CB-CD1 4.26Å; M247-Y249 HydrophobicContact CB-CD2 3.91Å; M247-Y249 HydrophobicContact CB-CE1 3.88Å; M247-Y249 HydrophobicContact CB-CE2 3.52Å; M247-Y249 HydrophobicContact CB-CG 4.26Å; M247-Y249 VanDerWaalsContact CB-CZ 3.49Å; M247-Y249 HydrophobicContact CE-CE1 3.8Å; M247-Y249 VanDerWaalsContact CE-OH 3.29Å; M247-Y249 WeakPolarHBondContact CE-OH 3.38Å; M247-Y249 HydrophobicContact CG-CE1 4.41Å; M247-Y249 HydrophobicContact CG-CE2 4.01Å; M247-Y249 PolarHBondContact O-N 2.92Å; Y249-I253 HydrophobicContact CD1-CD1 4.09Å; Y249-I253 HydrophobicContact CD1-CG2 3.96Å; Y249-I253 HydrophobicContact CD2-CG2 4.37Å; Y249-I253 HydrophobicContact CG-CB 4.47Å; Y249-I253 HydrophobicContact CG-CG2 3.84Å; Y249-M254 HydrophobicContact CD2-SD 4.09Å; Y249-M254 HydrophobicContact CG-SD 4.47Å
250P96.3Very high96.4Very high70 Ų7046.4 Ų46.446%0.45525%0.246SC..  trans-63.3159.7172.228.9-36.3000111.3S252 I253 M254P250-S252 WeakPolarHBondContact CG-OG 3.09Å; P250-S252 PolarHBondContact O-N 3.26Å; P250-S252 VanDerWaalsContact O-N 3.11Å; P250-I253 HydrophobicContact CG-CB 4.4Å; P250-I253 HydrophobicContact CG-CD1 4.01Å; P250-I253 HydrophobicContact CG-CG1 4.13Å; P250-I253 PolarHBondContact O-N 3.34Å; P250-M254 PolarHBondContact O-N 2.97Å
251S96.2Very high96.5Very high108 Ų10846 Ų4676%0.75524%0.243SC*.Hα-helixtrans-55.6-31178.3-54.40000113.2I253 M254 Q255S251-I253 PolarHBondContact O-N 3.18Å; S251-M254 PolarHBondContact O-N 3.33Å; S251-Q255 PolarHBondContact O-N 2.81Å
252S95.9Very high96.4Very high72 Ų7245 Ų4550%0.50324%0.238SC..Hα-helixtrans-62-27.3175.355.40000113.9P250 Q255P250-S252 WeakPolarHBondContact CG-OG 3.09Å; P250-S252 PolarHBondContact O-N 3.26Å; P250-S252 VanDerWaalsContact O-N 3.11Å; S252-Q255 VanDerWaalsContact O-CG 3.3Å; S252-Q255 WeakPolarHBondContact O-CG 3.42Å; S252-Q255 PolarHBondContact O-NE2 3.27Å
253I96.5Very high96.2Very high19 Ų1945.2 Ų45.210%0.09724%0.24CC..Hα-helixtrans-91.6-42.6174.2-69175.2000110.3L220 Y249 P250 S251 Q255 C256L220-I253 HydrophobicContact CB-CG2 4Å; L220-I253 HydrophobicContact CD2-CG2 4.45Å; Y249-I253 HydrophobicContact CD1-CD1 4.09Å; Y249-I253 HydrophobicContact CD1-CG2 3.96Å; Y249-I253 HydrophobicContact CD2-CG2 4.37Å; Y249-I253 HydrophobicContact CG-CB 4.47Å; Y249-I253 HydrophobicContact CG-CG2 3.84Å; P250-I253 HydrophobicContact CG-CB 4.4Å; P250-I253 HydrophobicContact CG-CD1 4.01Å; P250-I253 HydrophobicContact CG-CG1 4.13Å; P250-I253 PolarHBondContact O-N 3.34Å; S251-I253 PolarHBondContact O-N 3.18Å; I253-Q255 PolarHBondContact O-N 2.85Å; I253-Q255 VanDerWaalsContact O-N 3.15Å; I253-C256 PolarHBondContact O-N 3.02Å; I253-C256 VanDerWaalsContact O-N 3.08Å
254M96.8Very high95.9Very high65 Ų6545.3 Ų45.332%0.3224%0.24SC..Hα-helixtrans-63-22.7-178-69.5-59.5-65.300113.6L220 I244 Y249 P250 S251 C256 Y257L220-M254 HydrophobicContact CD1-SD 4.35Å; I244-M254 HydrophobicContact CG2-CE 3.9Å; I244-M254 HydrophobicContact CG2-SD 3.92Å; Y249-M254 HydrophobicContact CD2-SD 4.09Å; Y249-M254 HydrophobicContact CG-SD 4.47Å; P250-M254 PolarHBondContact O-N 2.97Å; S251-M254 PolarHBondContact O-N 3.33Å; M254-C256 PolarHBondContact O-N 3.23Å; M254-C256 VanDerWaalsContact O-N 3.13Å; M254-Y257 HydrophobicContact CE-CD1 3.78Å; M254-Y257 PolarHBondContact O-N 2.97Å
255Q94.6Very high95.7Very high125 Ų12545 Ų4558%0.58424%0.239SC*.THydrogen-bonded Turntrans-59.7-19.817473.7-176.9-10.500113.8S251 S252 I253 R258S251-Q255 PolarHBondContact O-N 2.81Å; S252-Q255 VanDerWaalsContact O-CG 3.3Å; S252-Q255 WeakPolarHBondContact O-CG 3.42Å; S252-Q255 PolarHBondContact O-NE2 3.27Å; I253-Q255 PolarHBondContact O-N 2.85Å; I253-Q255 VanDerWaalsContact O-N 3.15Å; Q255-R258 PolarHBondContact O-NH1 3.34Å
256C95.2Very high95.4Very high11 Ų1143.7 Ų43.77%0.07423%0.233CC..THydrogen-bonded Turntrans-89.6-9.7177.2-72.80000113.6L220 G225 G227 C229 I253 M254L220-C256 HydrophobicContact CD2-CB 4.3Å; G225-C256 PolarHBondContact O-SG 3.42Å; G227-C256 PolarHBondContact O-SG 3.46Å; C229-C256 PolarHBondContact N-O 2.93Å; I253-C256 PolarHBondContact O-N 3.02Å; I253-C256 VanDerWaalsContact O-N 3.08Å; M254-C256 PolarHBondContact O-N 3.23Å; M254-C256 VanDerWaalsContact O-N 3.13Å
257Y97.6Very high94.8Very high16 Ų1646.5 Ų46.56%0.06325%0.248CC..EExtended strand (participates in β ladder)trans-91128.4-179.2-177-130.1000110.6L220 C229 Q231 I244 M254 K259L220-Y257 HydrophobicContact CD1-CD2 4.35Å; L220-Y257 HydrophobicContact CD1-CG 4.14Å; C229-Y257 HydrophobicContact CB-CD2 4.34Å; Q231-Y257 HydrophobicContact CB-CE2 3.97Å; Q231-Y257 PolarHBondContact OE1-OH 2.74Å; I244-Y257 HydrophobicContact CD1-CD1 4.3Å; I244-Y257 HydrophobicContact CD1-CD2 4.4Å; I244-Y257 HydrophobicContact CD1-CE1 3.58Å; I244-Y257 HydrophobicContact CD1-CE2 3.7Å; I244-Y257 VanDerWaalsContact CD1-OH 3.26Å; I244-Y257 WeakPolarHBondContact CD1-OH 3.2Å; M254-Y257 HydrophobicContact CE-CD1 3.78Å; M254-Y257 PolarHBondContact O-N 2.97Å; Y257-K259 HydrophobicContact CE1-CD 3.83Å; Y257-K259 HydrophobicContact CE1-CG 3.94Å; Y257-K259 HydrophobicContact CE2-CG 4.25Å; Y257-K259 WeakPolarHBondContact OH-CD 3.44Å; Y257-K259 WeakPolarHBondContact OH-CG 3.24Å
258R97.3Very high93.9Very high64 Ų6448.6 Ų48.624%0.24226%0.258CS..EExtended strand (participates in β ladder)trans-133146.3176.1-68.5-67.5-176.1-73.2-4.4109.9L228 C229 L230 Q231 Q255 E288 T289 L292L228-R258 HydrophobicContact CD1-CB 4.16Å; L228-R258 HydrophobicContact CD1-CG 3.77Å; C229-R258 PolarHBondContact O-N 2.98Å; L230-R258 WeakPolarHBondContact CA-O 3.46Å; L230-R258 HydrophobicContact CG-CB 4.35Å; Q231-R258 PolarHBondContact N-O 3.38Å; Q255-R258 PolarHBondContact O-NH1 3.34Å; R258-E288 IonicContact CZ-OE1 2.9Å; R258-E288 IonicContact NE-OE1 2.72Å; R258-E288 PolarHBondContact NE-OE1 3.46Å; R258-E288 IonicContact NH2-OE1 2.84Å; R258-E288 PolarHBondContact NH2-OE1 2.89Å; R258-E288 VanDerWaalsContact NH2-OE1 3.13Å; R258-T289 HydrophobicContact CB-CG2 3.78Å; R258-L292 HydrophobicContact CG-CD1 3.94Å
259K97Very high92.8Very high82 Ų8249.3 Ų49.336%0.35726%0.264SS..EExtended strand (participates in β ladder)trans-123.1135.8-179.6-69.3172.9-84.7-175.10109.5Q231 C238 I241 Y257Q231-K259 WeakPolarHBondContact O-CA 3.35Å; C238-K259 HydrophobicContact CB-CD 3.6Å; C238-K259 HydrophobicContact CB-CG 4.25Å; I241-K259 HydrophobicContact CG2-CD 4.44Å; Y257-K259 HydrophobicContact CE1-CD 3.83Å; Y257-K259 HydrophobicContact CE1-CG 3.94Å; Y257-K259 HydrophobicContact CE2-CG 4.25Å; Y257-K259 WeakPolarHBondContact OH-CD 3.44Å; Y257-K259 WeakPolarHBondContact OH-CG 3.24Å
260L96.5Very high91.8Very high0 Ų052.6 Ų52.60%029%0.291CS..EExtended strand (participates in β ladder)trans-137.3126177.4-172.663.2000109.7L230 Q231 L232 H233 M262 V264 A265 H286 T289 L290 F293L230-L260 HydrophobicContact CD2-CB 4.05Å; Q231-L260 PolarHBondContact O-N 2.9Å; L232-L260 VanDerWaalsContact CA-O 3.28Å; L232-L260 WeakPolarHBondContact CA-O 3.37Å; L232-L260 HydrophobicContact CD2-CB 3.81Å; L232-L260 HydrophobicContact CD2-CD2 3.87Å; L232-L260 HydrophobicContact CD2-CG 4.16Å; H233-L260 PolarHBondContact CD2-O 3.48Å; H233-L260 PolarHBondContact N-O 2.87Å; L260-M262 PolarHBondContact O-N 2.83Å; L260-V264 HydrophobicContact CD1-CB 4.2Å; L260-V264 HydrophobicContact CD1-CG1 3.95Å; L260-A265 HydrophobicContact CD2-CB 4.03Å; L260-H286 HydrophobicContact CD1-CB 3.81Å; L260-T289 HydrophobicContact CB-CG2 3.81Å; L260-T289 HydrophobicContact CD1-CG2 4.3Å; L260-T289 HydrophobicContact CG-CG2 4.46Å; L260-L290 HydrophobicContact CD1-CB 4.27Å; L260-L290 HydrophobicContact CD2-CD1 4.27Å; L260-F293 HydrophobicContact CD2-CB 3.83Å; L260-F293 HydrophobicContact CD2-CD1 4.36Å; L260-F293 HydrophobicContact CD2-CG 3.99Å
261P95.5Very high90.4Very high1 Ų151.5 Ų51.51%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-61133.5169.7-21.632.1000110.4H233 C263 V264 A265H233-P261 CarbonylContact O-C 3.6Å; H233-P261 WeakPolarHBondContact O-CA 3.32Å; P261-C263 PolarHBondContact O-N 2.86Å; P261-V264 HydrophobicContact CB-CG2 4.01Å; P261-V264 HydrophobicContact CG-CG2 4.15Å; P261-V264 WeakPolarHBondContact O-CB 3.43Å; P261-V264 PolarHBondContact O-N 2.72Å; P261-V264 VanDerWaalsContact O-N 3.09Å; P261-A265 PolarHBondContact O-N 2.71Å
262M93.6Very high88.5Confident17 Ų1754 Ų548%0.08430%0.297CS..Hα-helixtrans-58.5-35.4-179.5-17171.479.500111.7V208 L232 H233 L260 V264 A265 M266 L309 L316 L317V208-M262 HydrophobicContact CG1-CE 3.75Å; V208-M262 HydrophobicContact CG2-CE 3.98Å; L232-M262 HydrophobicContact CB-CE 3.65Å; L232-M262 HydrophobicContact CB-SD 4.1Å; L232-M262 HydrophobicContact CD1-CE 3.85Å; L232-M262 HydrophobicContact CD1-SD 3.69Å; L232-M262 HydrophobicContact CG-CE 4.4Å; L232-M262 HydrophobicContact CG-SD 4.45Å; H233-M262 PolarHBondContact O-N 3.18Å; L260-M262 PolarHBondContact O-N 2.83Å; M262-V264 PolarHBondContact O-N 3.2Å; M262-A265 PolarHBondContact O-N 2.92Å; M262-A265 VanDerWaalsContact O-N 3.17Å; M262-M266 HydrophobicContact CG-CE 4.1Å; M262-M266 HydrophobicContact CG-CG 4.3Å; M262-M266 HydrophobicContact CG-SD 4.21Å; M262-M266 WeakPolarHBondContact O-CG 3.32Å; M262-M266 PolarHBondContact O-N 2.87Å; M262-L309 HydrophobicContact CE-CD2 4.37Å; M262-L316 HydrophobicContact SD-CD2 3.78Å; M262-L317 HydrophobicContact CE-CD2 4.43Å; M262-L317 HydrophobicContact SD-CD2 4.4Å
263C90.9Very high86.9Confident46 Ų4653 Ų5331%0.31130%0.299SS..Hα-helixtrans-58.5-44175.150.80000112.4P261 A265 M266 D267P261-C263 PolarHBondContact O-N 2.86Å; C263-A265 PolarHBondContact O-N 2.82Å; C263-M266 HydrophobicContact CB-CE 4.42Å; C263-M266 PolarHBondContact O-N 3.22Å; C263-M266 VanDerWaalsContact O-N 3.14Å; C263-D267 WeakPolarHBondContact O-CB 3.41Å; C263-D267 PolarHBondContact O-N 2.95Å
264V92.4Very high85.4Confident2 Ų261.9 Ų61.91%0.01234%0.34CS..Hα-helixtrans-62.7-34.2177.7178.90000111.5L260 P261 M262 T282 Y283 H286 L290L260-V264 HydrophobicContact CD1-CB 4.2Å; L260-V264 HydrophobicContact CD1-CG1 3.95Å; P261-V264 HydrophobicContact CB-CG2 4.01Å; P261-V264 HydrophobicContact CG-CG2 4.15Å; P261-V264 WeakPolarHBondContact O-CB 3.43Å; P261-V264 PolarHBondContact O-N 2.72Å; P261-V264 VanDerWaalsContact O-N 3.09Å; M262-V264 PolarHBondContact O-N 3.2Å; V264-T282 HydrophobicContact CG2-CG2 3.76Å; V264-Y283 HydrophobicContact CG1-CD1 4.01Å; V264-Y283 HydrophobicContact CG1-CE1 3.91Å; V264-Y283 HydrophobicContact CG1-CG 4.5Å; V264-H286 HydrophobicContact CG1-CB 4.43Å; V264-L290 HydrophobicContact CG1-CD1 4.39Å; V264-L290 HydrophobicContact CG1-CD2 4.12Å
265A92.5Very high84.2Confident1 Ų161.4 Ų61.41%0.00834%0.336CS..Hα-helixtrans-73.8-37.817500000112.5L260 P261 M262 C263 F293 L316L260-A265 HydrophobicContact CD2-CB 4.03Å; P261-A265 PolarHBondContact O-N 2.71Å; M262-A265 PolarHBondContact O-N 2.92Å; M262-A265 VanDerWaalsContact O-N 3.17Å; C263-A265 PolarHBondContact O-N 2.82Å; A265-F293 HydrophobicContact CB-CD1 4.31Å; A265-F293 HydrophobicContact CB-CE1 3.99Å; A265-F293 HydrophobicContact CB-CZ 4.35Å; A265-L316 HydrophobicContact CB-CD1 4.21Å; A265-L316 HydrophobicContact CB-CD2 4.18Å
266M90.3Very high83.1Confident70 Ų7058 Ų5835%0.34533%0.326SS..Hα-helixtrans-71.9-47.8179.3-72.7-174.7-59.200112.9M262 C263 E268 L269 S270 V312 L316M262-M266 HydrophobicContact CG-CE 4.1Å; M262-M266 HydrophobicContact CG-CG 4.3Å; M262-M266 HydrophobicContact CG-SD 4.21Å; M262-M266 WeakPolarHBondContact O-CG 3.32Å; M262-M266 PolarHBondContact O-N 2.87Å; C263-M266 HydrophobicContact CB-CE 4.42Å; C263-M266 PolarHBondContact O-N 3.22Å; C263-M266 VanDerWaalsContact O-N 3.14Å; M266-E268 PolarHBondContact O-N 2.94Å; M266-E268 VanDerWaalsContact O-N 3.14Å; M266-L269 WeakPolarHBondContact O-CA 3.41Å; M266-L269 WeakPolarHBondContact O-CB 3.18Å; M266-L269 PolarHBondContact O-N 3.2Å; M266-S270 PolarHBondContact O-N 3.01Å; M266-S270 PolarHBondContact O-OG 3.01Å; M266-V312 HydrophobicContact CG-CG1 4.49Å; M266-V312 HydrophobicContact SD-CG1 3.93Å; M266-L316 HydrophobicContact CG-CD2 3.75Å
267D85.9Confident82.2Confident62 Ų6264.4 Ų64.433%0.33236%0.36SS..Hα-helixtrans-59.4-28.7-178.5-71.2-9000111.8C263 S270 Y283C263-D267 WeakPolarHBondContact O-CB 3.41Å; C263-D267 PolarHBondContact O-N 2.95Å; D267-S270 PolarHBondContact O-N 2.75Å; D267-Y283 HydrophobicContact CB-CE2 4.29Å; D267-Y283 WeakPolarHBondContact CB-OH 3.26Å
268E77.6Confident81.2Confident72 Ų7270.1 Ų70.134%0.33639%0.391SS..Hα-helixtrans-68.2-35.7174-176.567.3-154.800112.7M266 S270 Y283 K294M266-E268 PolarHBondContact O-N 2.94Å; M266-E268 VanDerWaalsContact O-N 3.14Å; E268-S270 VanDerWaalsContact C-N 3.31Å; E268-Y283 PolarHBondContact N-OH 3.42Å; E268-K294 WeakPolarHBondContact OE1-CE 3.28Å; E268-K294 IonicContact OE1-NZ 3.34Å; E268-K294 PolarHBondContact OE1-NZ 2.65Å; E268-K294 WeakPolarHBondContact OE2-CE 3.46Å; E268-K294 IonicContact OE2-NZ 3.69Å; E268-K294 PolarHBondContact OE2-NZ 3.28Å
269L74.8Confident80.1Confident104 Ų10470.8 Ų70.855%0.54540%0.396SS..Hα-helixtrans-68.8-31.8173.1-70.4177.2000112.1M266 G271 S315 L316M266-L269 WeakPolarHBondContact O-CA 3.41Å; M266-L269 WeakPolarHBondContact O-CB 3.18Å; M266-L269 PolarHBondContact O-N 3.2Å; L269-G271 PolarHBondContact O-N 2.98Å; L269-S315 WeakPolarHBondContact CD1-O 3.33Å; L269-L316 HydrophobicContact CD1-CB 3.55Å; L269-L316 HydrophobicContact CD1-CD1 3.34Å; L269-L316 HydrophobicContact CD1-CG 3.96Å; L269-L316 HydrophobicContact CD2-CD1 4.42Å; L269-L316 HydrophobicContact CG-CD1 3.77Å
270S73.6Confident79.2Confident98 Ų9870.5 Ų70.569%0.68540%0.399SS*.Hα-helixtrans-72-15.6-176.5-55.90000113.8M266 D267 E268M266-S270 PolarHBondContact O-N 3.01Å; M266-S270 PolarHBondContact O-OG 3.01Å; D267-S270 PolarHBondContact O-N 2.75Å; E268-S270 VanDerWaalsContact C-N 3.31Å
271G67.3Low78.6Confident47 Ų4773.4 Ų73.449%0.48542%0.423SS..  trans70.2114.7175.600000114.1L269 G273L269-G271 PolarHBondContact O-N 2.98Å; G271-G273 PolarHBondContact O-N 3.09Å
272N57.4Low78Confident159 Ų15975.2 Ų75.285%0.8543%0.434SS*.  trans31.254.1158.9-66.3-12.2000118.9
273G62.6Low77.5Confident53 Ų5375.4 Ų75.455%0.54643%0.434SS..  trans-70.7151.6152.500000110.8G271 K275G271-G273 PolarHBondContact O-N 3.09Å; G273-K275 PolarHBondContact O-N 2.98Å
274E64.9Low77.4Confident204 Ų20477.8 Ų77.895%0.95345%0.451SS*.  trans-58.3109.7167.1-75.4-175.1163.100108.7
275K70Confident77.3Confident56 Ų5683.9 Ų83.924%0.24348%0.477CS..  trans-79.1135-179.9-71.7174.8-175.91740109.8G273 E279 N280 Y283G273-K275 PolarHBondContact O-N 2.98Å; K275-E279 WeakPolarHBondContact CA-OE2 3.42Å; K275-E279 HydrophobicContact CB-CB 3.9Å; K275-E279 HydrophobicContact CG-CB 4.35Å; K275-N280 WeakPolarHBondContact CB-OD1 3.31Å; K275-N280 PolarHBondContact O-ND2 3.31Å; K275-N280 VanDerWaalsContact O-ND2 3.16Å; K275-Y283 HydrophobicContact CD-CD2 3.71Å; K275-Y283 HydrophobicContact CD-CE2 3.61Å; K275-Y283 HydrophobicContact CD-CG 4.35Å; K275-Y283 VanDerWaalsContact CE-CZ 3.41Å; K275-Y283 WeakPolarHBondContact CE-OH 3.32Å; K275-Y283 VanDerWaalsContact NZ-CE2 3.32Å; K275-Y283 PolarHBondContact NZ-OH 2.9Å; K275-Y283 VanDerWaalsContact NZ-OH 3.11Å
276S72.6Confident77.3Confident52 Ų5284.7 Ų84.736%0.36448%0.481SS..  trans-60.6158.9171.567.50000111.2L278 E279 N280S276-L278 PolarHBondContact O-N 3.19Å; S276-L278 VanDerWaalsContact O-N 3.17Å; S276-E279 PolarHBondContact N-OE2 3.5Å; S276-E279 WeakPolarHBondContact O-CB 3.27Å; S276-E279 PolarHBondContact O-N 3.24Å; S276-E279 VanDerWaalsContact OG-CD 3.25Å; S276-E279 WeakPolarHBondContact OG-CG 3.16Å; S276-E279 PolarHBondContact OG-N 2.93Å; S276-E279 PolarHBondContact OG-OE2 3.31Å; S276-N280 PolarHBondContact O-N 3.2Å; S276-N280 PolarHBondContact O-ND2 2.93Å
277D76.2Confident77.4Confident147 Ų14784 Ų8479%0.78649%0.486SS*.Hα-helixtrans-55-36.1177-69.8-29.8000112.4N280 A281D277-N280 PolarHBondContact O-N 2.64Å; D277-A281 PolarHBondContact O-N 3.19Å
278L75.6Confident77.8Confident136 Ų13686.2 Ų86.271%0.71249%0.494SS*.Hα-helixtrans-67.7-40.7177.1-173.967.6000112S276 A281 T282S276-L278 PolarHBondContact O-N 3.19Å; S276-L278 VanDerWaalsContact O-N 3.17Å; L278-A281 PolarHBondContact O-N 3.43Å; L278-T282 WeakPolarHBondContact O-CB 3.3Å; L278-T282 PolarHBondContact O-N 2.87Å; L278-T282 PolarHBondContact O-OG1 3.11Å
279E75.2Confident78.7Confident77 Ų7783.5 Ų83.536%0.3648%0.482SS..Hα-helixtrans-64.1-46.9174.1-75.7159.6-166.200110K275 S276 A281 T282 Y283K275-E279 WeakPolarHBondContact CA-OE2 3.42Å; K275-E279 HydrophobicContact CB-CB 3.9Å; K275-E279 HydrophobicContact CG-CB 4.35Å; S276-E279 PolarHBondContact N-OE2 3.5Å; S276-E279 WeakPolarHBondContact O-CB 3.27Å; S276-E279 PolarHBondContact O-N 3.24Å; S276-E279 VanDerWaalsContact OG-CD 3.25Å; S276-E279 WeakPolarHBondContact OG-CG 3.16Å; S276-E279 PolarHBondContact OG-N 2.93Å; S276-E279 PolarHBondContact OG-OE2 3.31Å; E279-A281 VanDerWaalsContact C-N 3.31Å; E279-A281 PolarHBondContact O-N 2.87Å; E279-T282 CarbonylContact O-C 3.56Å; E279-T282 WeakPolarHBondContact O-CA 3.34Å; E279-T282 WeakPolarHBondContact O-CB 3.48Å; E279-T282 PolarHBondContact O-N 3.39Å; E279-Y283 HydrophobicContact CB-CD2 4.46Å; E279-Y283 WeakPolarHBondContact O-CB 3.43Å; E279-Y283 VanDerWaalsContact O-CD2 3.25Å; E279-Y283 WeakPolarHBondContact O-CD2 3.17Å; E279-Y283 PolarHBondContact O-N 3.12Å
280N78.5Confident79.6Confident77 Ų7779 Ų7941%0.41246%0.459SS..Hα-helixtrans-57.4-42.8177.6-72.4-39.1000112.5K275 S276 D277 T282 Y283 S284K275-N280 WeakPolarHBondContact CB-OD1 3.31Å; K275-N280 PolarHBondContact O-ND2 3.31Å; K275-N280 VanDerWaalsContact O-ND2 3.16Å; S276-N280 PolarHBondContact O-N 3.2Å; S276-N280 PolarHBondContact O-ND2 2.93Å; D277-N280 PolarHBondContact O-N 2.64Å; N280-T282 PolarHBondContact O-N 2.96Å; N280-Y283 PolarHBondContact O-N 3.4Å; N280-S284 WeakPolarHBondContact O-CB 3.02Å; N280-S284 PolarHBondContact O-N 2.69Å
281A83.5Confident80.6Confident61 Ų6181.6 Ų81.650%0.50445%0.454SS..Hα-helixtrans-62.2-42.4174.500000112.2D277 L278 E279 S284 K285D277-A281 PolarHBondContact O-N 3.19Å; L278-A281 PolarHBondContact O-N 3.43Å; E279-A281 VanDerWaalsContact C-N 3.31Å; E279-A281 PolarHBondContact O-N 2.87Å; A281-S284 PolarHBondContact O-N 3.42Å; A281-K285 WeakPolarHBondContact O-CB 3.3Å; A281-K285 PolarHBondContact O-N 2.87Å
282T82.6Confident82Confident39 Ų3980.5 Ų80.524%0.23944%0.436CS..Hα-helixtrans-65.3-44.2177.4-560000111.5V264 L278 E279 N280 K285 H286V264-T282 HydrophobicContact CG2-CG2 3.76Å; L278-T282 WeakPolarHBondContact O-CB 3.3Å; L278-T282 PolarHBondContact O-N 2.87Å; L278-T282 PolarHBondContact O-OG1 3.11Å; E279-T282 CarbonylContact O-C 3.56Å; E279-T282 WeakPolarHBondContact O-CA 3.34Å; E279-T282 WeakPolarHBondContact O-CB 3.48Å; E279-T282 PolarHBondContact O-N 3.39Å; N280-T282 PolarHBondContact O-N 2.96Å; T282-K285 WeakPolarHBondContact O-CB 3.35Å; T282-K285 PolarHBondContact O-N 2.97Å; T282-H286 PolarHBondContact O-CD2 2.91Å; T282-H286 VanDerWaalsContact O-CD2 3.23Å; T282-H286 PolarHBondContact O-N 2.71Å; T282-H286 VanDerWaalsContact O-N 3.14Å
283Y83.5Confident83.9Confident21 Ų2173.8 Ų73.88%0.08240%0.4CS..Hα-helixtrans-60.1-47.2174.9-93.5-85000112V264 D267 E268 K275 E279 N280 K285 H286 A287 L290V264-Y283 HydrophobicContact CG1-CD1 4.01Å; V264-Y283 HydrophobicContact CG1-CE1 3.91Å; V264-Y283 HydrophobicContact CG1-CG 4.5Å; D267-Y283 HydrophobicContact CB-CE2 4.29Å; D267-Y283 WeakPolarHBondContact CB-OH 3.26Å; E268-Y283 PolarHBondContact N-OH 3.42Å; K275-Y283 HydrophobicContact CD-CD2 3.71Å; K275-Y283 HydrophobicContact CD-CE2 3.61Å; K275-Y283 HydrophobicContact CD-CG 4.35Å; K275-Y283 VanDerWaalsContact CE-CZ 3.41Å; K275-Y283 WeakPolarHBondContact CE-OH 3.32Å; K275-Y283 VanDerWaalsContact NZ-CE2 3.32Å; K275-Y283 PolarHBondContact NZ-OH 2.9Å; K275-Y283 VanDerWaalsContact NZ-OH 3.11Å; E279-Y283 HydrophobicContact CB-CD2 4.46Å; E279-Y283 WeakPolarHBondContact O-CB 3.43Å; E279-Y283 VanDerWaalsContact O-CD2 3.25Å; E279-Y283 WeakPolarHBondContact O-CD2 3.17Å; E279-Y283 PolarHBondContact O-N 3.12Å; N280-Y283 PolarHBondContact O-N 3.4Å; Y283-K285 VanDerWaalsContact C-N 3.28Å; Y283-K285 PolarHBondContact O-N 3.03Å; Y283-H286 CarbonylContact O-C 3.59Å; Y283-H286 PolarHBondContact O-N 2.97Å; Y283-H286 VanDerWaalsContact O-N 3.14Å; Y283-A287 PolarHBondContact O-N 3.47Å; Y283-L290 HydrophobicContact CD1-CD2 3.84Å; Y283-L290 HydrophobicContact CE1-CD2 3.8Å
284S87.7Confident85.4Confident95 Ų9576.6 Ų76.666%0.66440%0.397SS*.Hα-helixtrans-61.1-38.6177.6-172.80000111.7N280 A281 H286N280-S284 WeakPolarHBondContact O-CB 3.02Å; N280-S284 PolarHBondContact O-N 2.69Å; A281-S284 PolarHBondContact O-N 3.42Å; S284-H286 VanDerWaalsContact C-N 3.29Å; S284-H286 PolarHBondContact O-N 3.25Å
285K91.2Very high86.7Confident130 Ų13071.9 Ų71.957%0.56538%0.375SS*.Hα-helixtrans-63.7-33.6176.7-178.9-173.3173.3-1650112.5A281 T282 Y283A281-K285 WeakPolarHBondContact O-CB 3.3Å; A281-K285 PolarHBondContact O-N 2.87Å; T282-K285 WeakPolarHBondContact O-CB 3.35Å; T282-K285 PolarHBondContact O-N 2.97Å; Y283-K285 VanDerWaalsContact C-N 3.28Å; Y283-K285 PolarHBondContact O-N 3.03Å
286H93Very high87.9Confident19 Ų1969.6 Ų69.69%0.08837%0.368CS..Hα-helixtrans-106.49.8-175.1-67.8-72.1000114.3L260 V264 T282 Y283 S284 E288 T289 L290L260-H286 HydrophobicContact CD1-CB 3.81Å; V264-H286 HydrophobicContact CG1-CB 4.43Å; T282-H286 PolarHBondContact O-CD2 2.91Å; T282-H286 VanDerWaalsContact O-CD2 3.23Å; T282-H286 PolarHBondContact O-N 2.71Å; T282-H286 VanDerWaalsContact O-N 3.14Å; Y283-H286 CarbonylContact O-C 3.59Å; Y283-H286 PolarHBondContact O-N 2.97Å; Y283-H286 VanDerWaalsContact O-N 3.14Å; S284-H286 VanDerWaalsContact C-N 3.29Å; S284-H286 PolarHBondContact O-N 3.25Å; H286-E288 PolarHBondContact O-N 3.47Å; H286-T289 PolarHBondContact O-N 3.16Å; H286-T289 VanDerWaalsContact O-N 3.15Å; H286-L290 WeakPolarHBondContact O-CB 3.27Å; H286-L290 PolarHBondContact O-N 3.38Å
287A92.5Very high89Confident54 Ų5471.9 Ų71.945%0.44638%0.376SS..Hα-helixtrans-56.4-43.1-17200000114.3Y283 R291Y283-A287 PolarHBondContact O-N 3.47Å; A287-R291 WeakPolarHBondContact O-CB 3.47Å; A287-R291 PolarHBondContact O-N 2.99Å
288E94Very high90Very high110 Ų11064.9 Ų64.951%0.51434%0.338SS..Hα-helixtrans-63.7-48.5176.9-174.9-166.1143.200111.4R258 H286 L290 R291 L292R258-E288 IonicContact CZ-OE1 2.9Å; R258-E288 IonicContact NE-OE1 2.72Å; R258-E288 PolarHBondContact NE-OE1 3.46Å; R258-E288 IonicContact NH2-OE1 2.84Å; R258-E288 PolarHBondContact NH2-OE1 2.89Å; R258-E288 VanDerWaalsContact NH2-OE1 3.13Å; H286-E288 PolarHBondContact O-N 3.47Å; E288-L290 VanDerWaalsContact C-N 3.35Å; E288-L290 PolarHBondContact O-N 2.94Å; E288-R291 WeakPolarHBondContact O-CB 3.3Å; E288-R291 PolarHBondContact O-N 3.36Å; E288-L292 PolarHBondContact O-N 3.06Å
289T95.7Very high91.1Very high14 Ų1460.2 Ų60.29%0.08631%0.314CS..Hα-helixtrans-65.9-39.8-179.8-530000111.5L230 R258 L260 H286 R291 L292 F293L230-T289 HydrophobicContact CD1-CG2 3.83Å; L230-T289 HydrophobicContact CD2-CG2 4.46Å; L230-T289 HydrophobicContact CG-CG2 4Å; R258-T289 HydrophobicContact CB-CG2 3.78Å; L260-T289 HydrophobicContact CB-CG2 3.81Å; L260-T289 HydrophobicContact CD1-CG2 4.3Å; L260-T289 HydrophobicContact CG-CG2 4.46Å; H286-T289 PolarHBondContact O-N 3.16Å; H286-T289 VanDerWaalsContact O-N 3.15Å; T289-R291 VanDerWaalsContact C-N 3.29Å; T289-R291 PolarHBondContact O-N 2.67Å; T289-L292 WeakPolarHBondContact O-CB 3.23Å; T289-L292 PolarHBondContact O-N 3.06Å; T289-L292 VanDerWaalsContact O-N 3.15Å; T289-F293 PolarHBondContact O-N 3.06Å
290L94.7Very high92.2Very high9 Ų956.6 Ų56.65%0.04730%0.297CS..Hα-helixtrans-61.8-39.1174.6-178.261.2000110.9L260 V264 Y283 H286 E288 L292 F293 K294L260-L290 HydrophobicContact CD1-CB 4.27Å; L260-L290 HydrophobicContact CD2-CD1 4.27Å; V264-L290 HydrophobicContact CG1-CD1 4.39Å; V264-L290 HydrophobicContact CG1-CD2 4.12Å; Y283-L290 HydrophobicContact CD1-CD2 3.84Å; Y283-L290 HydrophobicContact CE1-CD2 3.8Å; H286-L290 WeakPolarHBondContact O-CB 3.27Å; H286-L290 PolarHBondContact O-N 3.38Å; E288-L290 VanDerWaalsContact C-N 3.35Å; E288-L290 PolarHBondContact O-N 2.94Å; L290-L292 PolarHBondContact O-N 2.86Å; L290-F293 HydrophobicContact CD1-CD1 4.47Å; L290-F293 PolarHBondContact O-N 3.13Å; L290-K294 HydrophobicContact CG-CD 4.41Å; L290-K294 WeakPolarHBondContact O-CB 3.07Å; L290-K294 VanDerWaalsContact O-CG 3.31Å; L290-K294 WeakPolarHBondContact O-CG 3.29Å; L290-K294 PolarHBondContact O-N 2.99Å
291R94.7Very high93.2Very high153 Ų15353 Ų5358%0.57728%0.278SS*.Hα-helixtrans-60.6-43.9172.5-169.1-174.479.3173.42.5111.7A287 E288 T289 F293 K294 Q295A287-R291 WeakPolarHBondContact O-CB 3.47Å; A287-R291 PolarHBondContact O-N 2.99Å; E288-R291 WeakPolarHBondContact O-CB 3.3Å; E288-R291 PolarHBondContact O-N 3.36Å; T289-R291 VanDerWaalsContact C-N 3.29Å; T289-R291 PolarHBondContact O-N 2.67Å; R291-F293 VanDerWaalsContact C-N 3.33Å; R291-F293 PolarHBondContact O-N 3.01Å; R291-K294 PolarHBondContact O-N 3.01Å; R291-Q295 VanDerWaalsContact O-CG 3.3Å; R291-Q295 WeakPolarHBondContact O-CG 3.29Å; R291-Q295 PolarHBondContact O-N 3.09Å
292L96Very high93.9Very high24 Ų2450 Ų5013%0.12625%0.254CS..Hα-helixtrans-63.9-37.9177.3-68.2171.8000112.3R204 L228 L230 R258 E288 T289 L290R204-L292 PolarHBondContact NH2-O 3.43Å; L228-L292 HydrophobicContact CD1-CD1 4.23Å; L228-L292 HydrophobicContact CD2-CB 4.23Å; L230-L292 HydrophobicContact CD1-CB 4.33Å; R258-L292 HydrophobicContact CG-CD1 3.94Å; E288-L292 PolarHBondContact O-N 3.06Å; T289-L292 WeakPolarHBondContact O-CB 3.23Å; T289-L292 PolarHBondContact O-N 3.06Å; T289-L292 VanDerWaalsContact O-N 3.15Å; L290-L292 PolarHBondContact O-N 2.86Å
293F96.7Very high94.6Very high18 Ų1848.2 Ų48.28%0.07924%0.243CC..Hα-helixtrans-64.3-48.9173.6179.4-103.4000111.4L206 L230 L232 L260 A265 T289 L290 R291 Q295 G296 F298 L316 A320L206-F293 HydrophobicContact CD1-CD2 4.08Å; L206-F293 HydrophobicContact CD1-CE2 4.09Å; L206-F293 HydrophobicContact CD2-CE2 3.96Å; L230-F293 HydrophobicContact CD1-CB 3.9Å; L232-F293 HydrophobicContact CD1-CE2 4.17Å; L232-F293 HydrophobicContact CD2-CD2 4.35Å; L232-F293 HydrophobicContact CD2-CE2 4.45Å; L260-F293 HydrophobicContact CD2-CB 3.83Å; L260-F293 HydrophobicContact CD2-CD1 4.36Å; L260-F293 HydrophobicContact CD2-CG 3.99Å; A265-F293 HydrophobicContact CB-CD1 4.31Å; A265-F293 HydrophobicContact CB-CE1 3.99Å; A265-F293 HydrophobicContact CB-CZ 4.35Å; T289-F293 PolarHBondContact O-N 3.06Å; L290-F293 HydrophobicContact CD1-CD1 4.47Å; L290-F293 PolarHBondContact O-N 3.13Å; R291-F293 VanDerWaalsContact C-N 3.33Å; R291-F293 PolarHBondContact O-N 3.01Å; F293-Q295 VanDerWaalsContact C-N 3.3Å; F293-Q295 PolarHBondContact O-N 2.9Å; F293-G296 WeakPolarHBondContact O-CA 3.38Å; F293-G296 PolarHBondContact O-N 3.41Å; F293-F298 HydrophobicContact CD2-CE2 4.44Å; F293-L316 HydrophobicContact CE1-CD1 3.62Å; F293-L316 HydrophobicContact CZ-CD1 3.53Å; F293-L316 HydrophobicContact CZ-CG 4.01Å; F293-A320 HydrophobicContact CE2-CB 4.14Å; F293-A320 HydrophobicContact CZ-CB 4.45Å
294K93.5Very high95.3Very high113 Ų11347.2 Ų47.249%0.49124%0.239SC..Hα-helixtrans-60.7-33.7177.5-74.5177.2179.9-1760114.1E268 L290 R291 G296E268-K294 WeakPolarHBondContact OE1-CE 3.28Å; E268-K294 IonicContact OE1-NZ 3.34Å; E268-K294 PolarHBondContact OE1-NZ 2.65Å; E268-K294 WeakPolarHBondContact OE2-CE 3.46Å; E268-K294 IonicContact OE2-NZ 3.69Å; E268-K294 PolarHBondContact OE2-NZ 3.28Å; L290-K294 HydrophobicContact CG-CD 4.41Å; L290-K294 WeakPolarHBondContact O-CB 3.07Å; L290-K294 VanDerWaalsContact O-CG 3.31Å; L290-K294 WeakPolarHBondContact O-CG 3.29Å; L290-K294 PolarHBondContact O-N 2.99Å; R291-K294 PolarHBondContact O-N 3.01Å; K294-G296 PolarHBondContact O-N 3.11Å
295Q94.1Very high95.7Very high104 Ų10443 Ų4349%0.48621%0.209SC..THydrogen-bonded Turntrans-60-23.3173.8-77.9172.8-5.300112.2R291 F293R291-Q295 VanDerWaalsContact O-CG 3.3Å; R291-Q295 WeakPolarHBondContact O-CG 3.29Å; R291-Q295 PolarHBondContact O-N 3.09Å; F293-Q295 VanDerWaalsContact C-N 3.3Å; F293-Q295 PolarHBondContact O-N 2.9Å
296G94.1Very high95.7Very high9 Ų941.1 Ų41.19%0.09321%0.205CC..  trans58.7-137.9-179.200000111.7R204 F293 K294 F298 A320R204-G296 PolarHBondContact NE-O 3.21Å; R204-G296 PolarHBondContact NH2-O 3.03Å; F293-G296 WeakPolarHBondContact O-CA 3.38Å; F293-G296 PolarHBondContact O-N 3.41Å; K294-G296 PolarHBondContact O-N 3.11Å; G296-F298 PolarHBondContact O-N 2.71Å; G296-A320 CarbonylContact C-O 3.57Å; G296-A320 WeakPolarHBondContact CA-O 3.39Å
297N95.8Very high95.7Very high100 Ų10044.9 Ų44.954%0.53522%0.22SC..  trans54.940.6179.6-164.239.8000112.4R204 A320 R322R204-N297 WeakPolarHBondContact CD-O 3.37Å; R204-N297 PolarHBondContact NE-O 3.48Å; N297-A320 PolarHBondContact N-O 3.11Å; N297-R322 WeakPolarHBondContact OD1-CB 3.44Å; N297-R322 WeakPolarHBondContact OD1-CD 3.34Å
298F98.1Very high95.8Very high0 Ų046.9 Ų46.90%022%0.223CC..EExtended strand (participates in β ladder)trans-76.9137.3171.9-69.7-90.3000109.7R204 L206 L228 L230 F293 G296 A320 I321 R322R204-F298 HydrophobicContact CB-CD1 3.92Å; R204-F298 HydrophobicContact CB-CG 4.46Å; R204-F298 CarbonylContact O-C 3.53Å; R204-F298 VanDerWaalsContact O-CA 3.32Å; R204-F298 WeakPolarHBondContact O-CA 3.31Å; R204-F298 WeakPolarHBondContact O-CB 3.48Å; L206-F298 HydrophobicContact CB-CB 4.38Å; L206-F298 HydrophobicContact CB-CD1 3.88Å; L206-F298 HydrophobicContact CB-CE1 4.32Å; L206-F298 HydrophobicContact CB-CG 4.02Å; L206-F298 HydrophobicContact CD1-CZ 4.48Å; L228-F298 HydrophobicContact CD2-CE1 3.76Å; L228-F298 HydrophobicContact CD2-CZ 4.05Å; L228-F298 HydrophobicContact CG-CE1 4.36Å; L230-F298 HydrophobicContact CB-CE1 3.85Å; L230-F298 HydrophobicContact CB-CZ 4.13Å; L230-F298 HydrophobicContact CD1-CE1 4.41Å; L230-F298 HydrophobicContact CD1-CZ 3.85Å; F293-F298 HydrophobicContact CD2-CE2 4.44Å; G296-F298 PolarHBondContact O-N 2.71Å; F298-A320 HydrophobicContact CD2-CB 3.96Å; F298-A320 WeakPolarHBondContact CD2-O 3.47Å; F298-A320 HydrophobicContact CE2-CB 4.35Å; F298-A320 PolarHBondContact N-O 3.17Å; F298-A320 VanDerWaalsContact N-O 3.09Å; F298-I321 HydrophobicContact CB-CD1 3.65Å; F298-I321 HydrophobicContact CG-CD1 4.49Å; F298-I321 WeakPolarHBondContact O-CA 3.45Å; F298-I321 WeakPolarHBondContact O-CG2 3.22Å; F298-R322 WeakPolarHBondContact O-CG 3.32Å; F298-R322 PolarHBondContact O-N 2.81Å
299D98.2Very high95.9Very high38 Ų3842.4 Ų42.420%0.20320%0.202CC..EExtended strand (participates in β ladder)trans-72.7-33.3176.3-64.6-75.2000112.3S203 R204 R322 G325 T326S203-D299 VanDerWaalsContact CA-OD2 3.32Å; S203-D299 WeakPolarHBondContact CA-OD2 3.25Å; R204-D299 PolarHBondContact N-OD2 2.91Å; R204-D299 PolarHBondContact O-N 3.23Å; D299-R322 IonicContact OD1-CZ 3.2Å; D299-R322 IonicContact OD1-NE 3.77Å; D299-R322 PolarHBondContact OD1-NE 3.21Å; D299-R322 IonicContact OD1-NH2 3.38Å; D299-R322 PolarHBondContact OD1-NH2 3.09Å; D299-G325 CarbonylContact O-C 3.52Å; D299-G325 WeakPolarHBondContact O-CA 3.33Å; D299-T326 PolarHBondContact O-N 3.11Å
300S98.3Very high95.9Very high1 Ų143.2 Ų43.21%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-148.3147.3-178.657.90000114.5A197 R204 V205 L206 T326A197-S300 WeakPolarHBondContact O-CB 3.4Å; A197-S300 PolarHBondContact O-OG 2.86Å; A197-S300 VanDerWaalsContact O-OG 3.13Å; R204-S300 PolarHBondContact O-N 3.07Å; V205-S300 WeakPolarHBondContact CG1-OG 3.43Å; L206-S300 PolarHBondContact N-O 3.27Å; S300-T326 CarbonylContact C-O 3.41Å; S300-T326 WeakPolarHBondContact CA-O 3.4Å; S300-T326 WeakPolarHBondContact CB-OG1 3.27Å
301L98.5Very high95.8Very high0 Ų047.4 Ų47.40%024%0.237CC..EExtended strand (participates in β ladder)trans-107.5124.1169.4176.556.9000109L206 I303 L317 I321 T326 V327 A328L206-L301 HydrophobicContact CB-CD1 4.27Å; L206-L301 HydrophobicContact CD2-CD1 4.06Å; L206-L301 HydrophobicContact CG-CD1 4.08Å; L206-L301 WeakPolarHBondContact O-CA 3.45Å; L301-I303 HydrophobicContact CD1-CD1 4.38Å; L301-I303 HydrophobicContact CD1-CG1 4.03Å; L301-I303 HydrophobicContact CD2-CD1 4.18Å; L301-I303 HydrophobicContact CG-CD1 4.3Å; L301-I303 HydrophobicContact CG-CG1 4.1Å; L301-L317 HydrophobicContact CD1-CB 4.22Å; L301-L317 HydrophobicContact CD1-CD1 4.45Å; L301-L317 HydrophobicContact CD2-CB 3.85Å; L301-I321 HydrophobicContact CB-CD1 3.72Å; L301-I321 HydrophobicContact CB-CG1 3.87Å; L301-T326 PolarHBondContact N-O 3.16Å; L301-V327 HydrophobicContact CB-CG2 4.3Å; L301-V327 HydrophobicContact CD2-CG1 4.2Å; L301-V327 HydrophobicContact CD2-CG2 4.39Å; L301-V327 HydrophobicContact CG-CG1 4.49Å; L301-A328 PolarHBondContact O-N 2.94Å
302I98.6Very high95.8Very high0 Ų040.9 Ų40.90%021%0.214CC..EExtended strand (participates in β ladder)trans-118.4125173.2-47-179.8000109.6L193 A197 I199 V205 L206 V207 V208 V215 V219 A328L193-I302 HydrophobicContact CD1-CG2 3.91Å; L193-I302 HydrophobicContact CD2-CG2 3.71Å; L193-I302 HydrophobicContact CG-CG2 3.73Å; A197-I302 HydrophobicContact CB-CD1 3.45Å; A197-I302 VanDerWaalsContact CB-CD1 3.45Å; A197-I302 HydrophobicContact CB-CG1 3.59Å; I199-I302 HydrophobicContact CD1-CD1 3.91Å; I199-I302 HydrophobicContact CG1-CD1 4.28Å; V205-I302 HydrophobicContact CG1-CD1 3.72Å; V205-I302 HydrophobicContact CG1-CG1 3.91Å; L206-I302 PolarHBondContact O-N 3.32Å; V207-I302 CarbonylContact C-O 3.52Å; V207-I302 WeakPolarHBondContact CA-O 3.11Å; V208-I302 PolarHBondContact N-O 3.49Å; V215-I302 HydrophobicContact CG1-CB 4.18Å; V215-I302 HydrophobicContact CG1-CD1 4.1Å; V215-I302 HydrophobicContact CG1-CG2 3.61Å; V219-I302 HydrophobicContact CG2-CD1 4.03Å; I302-A328 VanDerWaalsContact CA-O 3.29Å; I302-A328 WeakPolarHBondContact CA-O 3.47Å
303I98.3Very high95.8Very high1 Ų139.7 Ų39.71%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-121.2126.4175.9-58-179.8000109.3V208 L301 L309 I313 L317 A328 I329 Y330V208-I303 HydrophobicContact CB-CG1 4.41Å; V208-I303 HydrophobicContact CG2-CG1 4.39Å; V208-I303 CarbonylContact O-C 3.51Å; V208-I303 WeakPolarHBondContact O-CA 3.41Å; L301-I303 HydrophobicContact CD1-CD1 4.38Å; L301-I303 HydrophobicContact CD1-CG1 4.03Å; L301-I303 HydrophobicContact CD2-CD1 4.18Å; L301-I303 HydrophobicContact CG-CD1 4.3Å; L301-I303 HydrophobicContact CG-CG1 4.1Å; I303-L309 HydrophobicContact CD1-CD1 4.28Å; I303-L309 HydrophobicContact CG2-CD1 3.69Å; I303-I313 HydrophobicContact CD1-CD1 4.23Å; I303-I313 HydrophobicContact CD1-CG1 3.93Å; I303-L317 HydrophobicContact CD1-CD1 3.8Å; I303-A328 PolarHBondContact N-O 3.23Å; I303-I329 HydrophobicContact CB-CB 4.29Å; I303-I329 HydrophobicContact CB-CG1 4.01Å; I303-I329 HydrophobicContact CB-CG2 3.94Å; I303-I329 HydrophobicContact CD1-CD1 4.22Å; I303-I329 HydrophobicContact CD1-CG1 4.11Å; I303-I329 HydrophobicContact CG1-CG1 4.25Å; I303-I329 HydrophobicContact CG2-CG2 4.09Å; I303-I329 CarbonylContact O-C 3.41Å; I303-I329 WeakPolarHBondContact O-CA 3.38Å; I303-Y330 PolarHBondContact O-N 3.22Å
304A97.5Very high95.7Very high0 Ų040.9 Ų40.90%022%0.217CC..EExtended strand (participates in β ladder)trans-146.974169.700000108L193 V208 E209 D210 V215 Y330L193-A304 HydrophobicContact CD2-CB 4.31Å; V208-A304 PolarHBondContact O-N 3.34Å; E209-A304 CarbonylContact C-O 3.5Å; E209-A304 WeakPolarHBondContact CA-O 3.37Å; D210-A304 PolarHBondContact N-O 2.87Å; V215-A304 HydrophobicContact CG2-CB 4.25Å; A304-Y330 HydrophobicContact CB-CD1 4.34Å
305S95.7Very high95.7Very high7 Ų738.6 Ų38.65%0.04922%0.215CC..  trans-122.2143.2-167.4161.90000111M183 Y307M183-S305 WeakPolarHBondContact CE-O 3.45Å; M183-S305 PolarHBondContact SD-N 3.35Å; M183-S305 VanDerWaalsContact SD-N 3.39Å; S305-Y307 PolarHBondContact O-N 3.19Å; S305-Y307 PolarHBondContact OG-N 2.86Å; S305-Y307 PolarHBondContact OG-O 3.39Å
306N92.6Very high95.7Very high90 Ų9033.9 Ų33.948%0.48119%0.193SC..SBendtrans-75.6-10172.7-75.1-65.1000112.5M183 D210M183-N306 VanDerWaalsContact CG-OD1 3.31Å; M183-N306 WeakPolarHBondContact CG-OD1 3.47Å; D210-N306 WeakPolarHBondContact CB-ND2 3.4Å; D210-N306 PolarHBondContact OD2-N 3.49Å
307Y92.4Very high95.8Very high98 Ų9833.4 Ų33.438%0.38419%0.188SC..SBendtrans-96.6143.7-179.9-52.7-65.6000111.4D210 R234 S305 L309 Y340D210-Y307 VanDerWaalsContact OD2-CD2 3.31Å; D210-Y307 WeakPolarHBondContact OD2-CD2 3.37Å; D210-Y307 VanDerWaalsContact OD2-CE2 3.28Å; D210-Y307 WeakPolarHBondContact OD2-CE2 3.33Å; R234-Y307 HydrophobicContact CB-CE2 4.09Å; S305-Y307 PolarHBondContact O-N 3.19Å; S305-Y307 PolarHBondContact OG-N 2.86Å; S305-Y307 PolarHBondContact OG-O 3.39Å; Y307-L309 PolarHBondContact O-N 2.98Å; Y307-Y340 PolarHBondContact O-OH 3.32Å
308D94.6Very high95.8Very high96 Ų9628.7 Ų28.751%0.51316%0.163SC..  trans-68.1119.1165.5177.59.4000109.9T310 L336D308-T310 WeakPolarHBondContact OD1-CB 3.37Å; D308-T310 PolarHBondContact OD1-N 3.38Å; D308-T310 PolarHBondContact OD1-OG1 2.72Å; D308-L336 HydrophobicContact CB-CD1 4.06Å
309L95.7Very high95.7Very high15 Ų1532.5 Ų32.58%0.07919%0.188CC..  trans-110.211.6-179.8-61.8174.4000112.3V208 M262 I303 Y307 S311 V312 I313 Y340V208-L309 HydrophobicContact CB-CD1 4.15Å; V208-L309 HydrophobicContact CG1-CD1 3.72Å; M262-L309 HydrophobicContact CE-CD2 4.37Å; I303-L309 HydrophobicContact CD1-CD1 4.28Å; I303-L309 HydrophobicContact CG2-CD1 3.69Å; Y307-L309 PolarHBondContact O-N 2.98Å; L309-S311 PolarHBondContact O-N 3.26Å; L309-S311 VanDerWaalsContact O-N 3.11Å; L309-V312 HydrophobicContact CB-CG2 3.79Å; L309-V312 HydrophobicContact CD2-CG2 3.86Å; L309-V312 HydrophobicContact CG-CG2 4.4Å; L309-V312 VanDerWaalsContact O-CG2 3.23Å; L309-V312 WeakPolarHBondContact O-CG2 3.25Å; L309-V312 PolarHBondContact O-N 3.14Å; L309-I313 HydrophobicContact CB-CD1 4.3Å; L309-I313 HydrophobicContact CB-CG1 4.13Å; L309-I313 WeakPolarHBondContact O-CG1 3.36Å; L309-I313 PolarHBondContact O-N 3.4Å; L309-Y340 PolarHBondContact N-OH 2.91Å
310T95.4Very high95.5Very high32 Ų3231.1 Ų31.120%0.19618%0.182CC..Hα-helixtrans-51.3-42.8-172.6-630000111.9D308 V312 Y340 V343D308-T310 WeakPolarHBondContact OD1-CB 3.37Å; D308-T310 PolarHBondContact OD1-N 3.38Å; D308-T310 PolarHBondContact OD1-OG1 2.72Å; T310-V312 VanDerWaalsContact C-N 3.33Å; T310-V312 PolarHBondContact O-N 3.13Å; T310-Y340 WeakPolarHBondContact OG1-CD1 3.13Å; T310-Y340 VanDerWaalsContact OG1-CE1 3.25Å; T310-Y340 WeakPolarHBondContact OG1-CE1 3.34Å; T310-V343 HydrophobicContact CG2-CB 4.48Å; T310-V343 HydrophobicContact CG2-CG2 3.53Å
311S93.1Very high95.5Very high97 Ų9731.5 Ų31.568%0.67818%0.184SC*.Hα-helixtrans-70.7-22.5-179.459.90000114.8L309 S315L309-S311 PolarHBondContact O-N 3.26Å; L309-S311 VanDerWaalsContact O-N 3.11Å; S311-S315 PolarHBondContact O-OG 3.02Å
312V95Very high95.4Very high15 Ų1535.5 Ų35.59%0.09120%0.199CC..Hα-helixtrans-107.3-16.9-174.7-600000113.6M266 L309 T310 V314 S315 L316 L317M266-V312 HydrophobicContact CG-CG1 4.49Å; M266-V312 HydrophobicContact SD-CG1 3.93Å; L309-V312 HydrophobicContact CB-CG2 3.79Å; L309-V312 HydrophobicContact CD2-CG2 3.86Å; L309-V312 HydrophobicContact CG-CG2 4.4Å; L309-V312 VanDerWaalsContact O-CG2 3.23Å; L309-V312 WeakPolarHBondContact O-CG2 3.25Å; L309-V312 PolarHBondContact O-N 3.14Å; T310-V312 VanDerWaalsContact C-N 3.33Å; T310-V312 PolarHBondContact O-N 3.13Å; V312-V314 PolarHBondContact O-N 3.42Å; V312-S315 WeakPolarHBondContact CA-OG 3.17Å; V312-L316 HydrophobicContact CB-CB 4.26Å; V312-L316 HydrophobicContact CB-CD2 4.47Å; V312-L316 WeakPolarHBondContact O-CA 3.49Å; V312-L316 WeakPolarHBondContact O-CB 3.49Å; V312-L316 PolarHBondContact O-N 3.41Å; V312-L317 HydrophobicContact CG2-CD1 4.38Å; V312-L317 PolarHBondContact O-N 3.41Å
313I96.4Very high95.3Very high0 Ų038.8 Ų38.80%022%0.22CC..Iπ-helixtrans-56.3-56.4-179.6-75.3165.6000110.6I303 L309 L317 L318 I329 Y340 L344I303-I313 HydrophobicContact CD1-CD1 4.23Å; I303-I313 HydrophobicContact CD1-CG1 3.93Å; L309-I313 HydrophobicContact CB-CD1 4.3Å; L309-I313 HydrophobicContact CB-CG1 4.13Å; L309-I313 WeakPolarHBondContact O-CG1 3.36Å; L309-I313 PolarHBondContact O-N 3.4Å; I313-L317 HydrophobicContact CG1-CD1 4.26Å; I313-L317 PolarHBondContact O-N 2.84Å; I313-L318 VanDerWaalsContact O-CB 3.22Å; I313-L318 WeakPolarHBondContact O-CB 3.33Å; I313-L318 PolarHBondContact O-N 2.84Å; I313-I329 HydrophobicContact CD1-CD1 4.44Å; I313-Y340 HydrophobicContact CD1-CD1 3.32Å; I313-Y340 HydrophobicContact CD1-CD2 4.26Å; I313-Y340 HydrophobicContact CD1-CE1 3.47Å; I313-Y340 VanDerWaalsContact CD1-CE1 3.47Å; I313-Y340 HydrophobicContact CD1-CE2 4.39Å; I313-Y340 HydrophobicContact CD1-CG 3.73Å; I313-L344 HydrophobicContact CG2-CD2 3.59Å; I313-L344 HydrophobicContact CG2-CG 4.34Å
314V94.8Very high95.2Very high42 Ų4242.9 Ų42.926%0.25525%0.249SC..Iπ-helixtrans-79.7-33.8-176.7170.70000112.5V312 L318 P319 V343V312-V314 PolarHBondContact O-N 3.42Å; V314-L318 HydrophobicContact CG2-CD2 4.35Å; V314-P319 VanDerWaalsContact O-CD 3.26Å; V314-P319 WeakPolarHBondContact O-CD 3.27Å; V314-P319 VanDerWaalsContact O-CG 3.31Å; V314-P319 WeakPolarHBondContact O-CG 3.4Å; V314-V343 HydrophobicContact CB-CG1 4.25Å; V314-V343 HydrophobicContact CG2-CG1 3.35Å
315S92.7Very high95.2Very high65 Ų6542.9 Ų42.946%0.45525%0.249SC..Iπ-helixtrans-82.2-29.6-174.161.80000113.9L269 S311 V312L269-S315 WeakPolarHBondContact CD1-O 3.33Å; S311-S315 PolarHBondContact O-OG 3.02Å; V312-S315 WeakPolarHBondContact CA-OG 3.17Å
316L94.4Very high95.4Very high5 Ų543.7 Ų43.73%0.02625%0.253CS..Iπ-helixtrans-123.9-47.9-173.4177.666.2000113.5M262 A265 M266 L269 F293 V312M262-L316 HydrophobicContact SD-CD2 3.78Å; A265-L316 HydrophobicContact CB-CD1 4.21Å; A265-L316 HydrophobicContact CB-CD2 4.18Å; M266-L316 HydrophobicContact CG-CD2 3.75Å; L269-L316 HydrophobicContact CD1-CB 3.55Å; L269-L316 HydrophobicContact CD1-CD1 3.34Å; L269-L316 HydrophobicContact CD1-CG 3.96Å; L269-L316 HydrophobicContact CD2-CD1 4.42Å; L269-L316 HydrophobicContact CG-CD1 3.77Å; F293-L316 HydrophobicContact CE1-CD1 3.62Å; F293-L316 HydrophobicContact CZ-CD1 3.53Å; F293-L316 HydrophobicContact CZ-CG 4.01Å; V312-L316 HydrophobicContact CB-CB 4.26Å; V312-L316 HydrophobicContact CB-CD2 4.47Å; V312-L316 WeakPolarHBondContact O-CA 3.49Å; V312-L316 WeakPolarHBondContact O-CB 3.49Å; V312-L316 PolarHBondContact O-N 3.41Å
317L96.5Very high95.6Very high0 Ų039.4 Ų39.40%023%0.231CC..Iπ-helixtrans-82.7-50.1-168-55.7-178.6000112.4L206 V208 L232 M262 L301 I303 V312 I313 A320L206-L317 HydrophobicContact CD2-CD2 4.33Å; V208-L317 HydrophobicContact CG2-CD1 4.1Å; V208-L317 HydrophobicContact CG2-CD2 4.36Å; L232-L317 HydrophobicContact CD1-CD2 3.34Å; M262-L317 HydrophobicContact CE-CD2 4.43Å; M262-L317 HydrophobicContact SD-CD2 4.4Å; L301-L317 HydrophobicContact CD1-CB 4.22Å; L301-L317 HydrophobicContact CD1-CD1 4.45Å; L301-L317 HydrophobicContact CD2-CB 3.85Å; I303-L317 HydrophobicContact CD1-CD1 3.8Å; V312-L317 HydrophobicContact CG2-CD1 4.38Å; V312-L317 PolarHBondContact O-N 3.41Å; I313-L317 HydrophobicContact CG1-CD1 4.26Å; I313-L317 PolarHBondContact O-N 2.84Å; L317-A320 WeakPolarHBondContact O-CB 3.46Å; L317-A320 PolarHBondContact O-N 3.26Å
318L95.9Very high95.9Very high1 Ų134.8 Ų34.81%0.00521%0.213CC..G310 helixtrans-62.3-40.9-177-164.563.7000112.9I313 V314 A320 I321 V327 L344 Q349 T350 V388I313-L318 VanDerWaalsContact O-CB 3.22Å; I313-L318 WeakPolarHBondContact O-CB 3.33Å; I313-L318 PolarHBondContact O-N 2.84Å; V314-L318 HydrophobicContact CG2-CD2 4.35Å; L318-A320 PolarHBondContact O-N 3.41Å; L318-A320 VanDerWaalsContact O-N 3.16Å; L318-I321 WeakPolarHBondContact O-CB 3.45Å; L318-I321 PolarHBondContact O-N 3.47Å; L318-V327 HydrophobicContact CD1-CG2 3.72Å; L318-L344 HydrophobicContact CD1-CD2 4.41Å; L318-L344 HydrophobicContact CD2-CD2 4.02Å; L318-Q349 HydrophobicContact CD2-CB 3.63Å; L318-Q349 HydrophobicContact CD2-CG 4.5Å; L318-Q349 HydrophobicContact CG-CB 4.38Å; L318-T350 HydrophobicContact CD1-CG2 3.97Å; L318-T350 HydrophobicContact CD2-CG2 4.05Å; L318-V388 HydrophobicContact CD1-CG1 4.26Å; L318-V388 HydrophobicContact CD1-CG2 3.59Å
319P94.4Very high96.1Very high79 Ų7930.3 Ų30.351%0.51319%0.189SC..G310 helixtrans-63.2-19.9176.7-24.236.3000114.5V314 I321V314-P319 VanDerWaalsContact O-CD 3.26Å; V314-P319 WeakPolarHBondContact O-CD 3.27Å; V314-P319 VanDerWaalsContact O-CG 3.31Å; V314-P319 WeakPolarHBondContact O-CG 3.4Å; P319-I321 VanDerWaalsContact C-N 3.3Å
320A95.7Very high96.2Very high9 Ų929.7 Ų29.77%0.07419%0.185CC..G310 helixtrans-77.1-19.6175.900000112.4L206 F293 G296 N297 F298 L317 L318L206-A320 HydrophobicContact CD2-CB 4.1Å; F293-A320 HydrophobicContact CE2-CB 4.14Å; F293-A320 HydrophobicContact CZ-CB 4.45Å; G296-A320 CarbonylContact C-O 3.57Å; G296-A320 WeakPolarHBondContact CA-O 3.39Å; N297-A320 PolarHBondContact N-O 3.11Å; F298-A320 HydrophobicContact CD2-CB 3.96Å; F298-A320 WeakPolarHBondContact CD2-O 3.47Å; F298-A320 HydrophobicContact CE2-CB 4.35Å; F298-A320 PolarHBondContact N-O 3.17Å; F298-A320 VanDerWaalsContact N-O 3.09Å; L317-A320 WeakPolarHBondContact O-CB 3.46Å; L317-A320 PolarHBondContact O-N 3.26Å; L318-A320 PolarHBondContact O-N 3.41Å; L318-A320 VanDerWaalsContact O-N 3.16Å
321I97.6Very high96.2Very high10 Ų1028.3 Ų28.35%0.05118%0.177CC..EExtended strand (participates in β ladder)trans-85137.2-176.3-47.1-49.5000109.6L206 F298 L301 L318 P319 V388L206-I321 HydrophobicContact CB-CD1 4.15Å; L206-I321 HydrophobicContact CD2-CD1 4.15Å; F298-I321 HydrophobicContact CB-CD1 3.65Å; F298-I321 HydrophobicContact CG-CD1 4.49Å; F298-I321 WeakPolarHBondContact O-CA 3.45Å; F298-I321 WeakPolarHBondContact O-CG2 3.22Å; L301-I321 HydrophobicContact CB-CD1 3.72Å; L301-I321 HydrophobicContact CB-CG1 3.87Å; L318-I321 WeakPolarHBondContact O-CB 3.45Å; L318-I321 PolarHBondContact O-N 3.47Å; P319-I321 VanDerWaalsContact C-N 3.3Å; I321-V388 HydrophobicContact CB-CG2 4Å; I321-V388 HydrophobicContact CG2-CB 4.25Å; I321-V388 HydrophobicContact CG2-CG2 3.64Å
322R96.6Very high96.2Very high83 Ų8326.6 Ų26.631%0.31316%0.16SC..EExtended strand (participates in β ladder)trans-70.1155.8178.573177.7175.485.1-2.4111.4N297 F298 D299 S324 G325N297-R322 WeakPolarHBondContact OD1-CB 3.44Å; N297-R322 WeakPolarHBondContact OD1-CD 3.34Å; F298-R322 WeakPolarHBondContact O-CG 3.32Å; F298-R322 PolarHBondContact O-N 2.81Å; D299-R322 IonicContact OD1-CZ 3.2Å; D299-R322 IonicContact OD1-NE 3.77Å; D299-R322 PolarHBondContact OD1-NE 3.21Å; D299-R322 IonicContact OD1-NH2 3.38Å; D299-R322 PolarHBondContact OD1-NH2 3.09Å; R322-S324 PolarHBondContact O-N 3.42Å; R322-G325 WeakPolarHBondContact O-CA 3.48Å; R322-G325 PolarHBondContact O-N 3.49Å
323P96.3Very high96.2Very high70 Ų7029.2 Ų29.246%0.45518%0.176SC..EExtended strand (participates in β ladder)trans-54.9141.6166.3-2434.7000111.3G325 C390P323-G325 PolarHBondContact O-N 2.99Å; P323-C390 VanDerWaalsContact CB-SG 3.51Å; P323-C390 WeakPolarHBondContact CG-SG 3.36Å
324S96.7Very high96.1Very high86 Ų8632.9 Ų32.960%0.60119%0.194SC*.EExtended strand (participates in β ladder)trans63.412.4-169.9-170.50000114.7R322 V388R322-S324 PolarHBondContact O-N 3.42Å; S324-V388 WeakPolarHBondContact CA-O 3.45Å; S324-V388 PolarHBondContact N-O 2.97Å
325G97.6Very high96.1Very high1 Ų136.7 Ų36.71%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-75.6165.3167.600000112D299 R322 P323 I387 V388D299-G325 CarbonylContact O-C 3.52Å; D299-G325 WeakPolarHBondContact O-CA 3.33Å; R322-G325 WeakPolarHBondContact O-CA 3.48Å; R322-G325 PolarHBondContact O-N 3.49Å; P323-G325 PolarHBondContact O-N 2.99Å; G325-I387 WeakPolarHBondContact O-CA 3.19Å; G325-V388 PolarHBondContact O-N 3.32Å
326T98.2Very high96.3Very high23 Ų2334.9 Ų34.914%0.14119%0.194CC..EExtended strand (participates in β ladder)trans-109.1142.4-175.758.50000112Y196 A197 N198 D299 S300 L301Y196-T326 WeakPolarHBondContact O-CB 3.35Å; Y196-T326 PolarHBondContact O-OG1 3.3Å; A197-T326 PolarHBondContact O-OG1 2.88Å; N198-T326 HydrophobicContact CB-CG2 4.37Å; D299-T326 PolarHBondContact O-N 3.11Å; S300-T326 CarbonylContact C-O 3.41Å; S300-T326 WeakPolarHBondContact CA-O 3.4Å; S300-T326 WeakPolarHBondContact CB-OG1 3.27Å; L301-T326 PolarHBondContact N-O 3.16Å
327V98.1Very high96.3Very high1 Ų134.7 Ų34.71%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-110.1129.5169179.90000108L301 L318 I329 L344 T385 G386 V388L301-V327 HydrophobicContact CB-CG2 4.3Å; L301-V327 HydrophobicContact CD2-CG1 4.2Å; L301-V327 HydrophobicContact CD2-CG2 4.39Å; L301-V327 HydrophobicContact CG-CG1 4.49Å; L318-V327 HydrophobicContact CD1-CG2 3.72Å; V327-I329 HydrophobicContact CG1-CD1 3.74Å; V327-I329 HydrophobicContact CG1-CG1 3.77Å; V327-L344 HydrophobicContact CG1-CD1 4.25Å; V327-T385 CarbonylContact O-C 3.56Å; V327-T385 VanDerWaalsContact O-CA 3.25Å; V327-T385 WeakPolarHBondContact O-CA 3.49Å; V327-G386 PolarHBondContact N-O 2.92Å; V327-G386 PolarHBondContact O-N 3.47Å; V327-V388 HydrophobicContact CG2-CG2 3.6Å
328A98.2Very high96.4Very high0 Ų037.8 Ų37.80%021%0.212CC..EExtended strand (participates in β ladder)trans-135.2116.1175.400000109.3L193 A197 L301 I302 I303L193-A328 HydrophobicContact CD1-CB 3.83Å; A197-A328 HydrophobicContact CB-CB 4.11Å; L301-A328 PolarHBondContact O-N 2.94Å; I302-A328 VanDerWaalsContact CA-O 3.29Å; I302-A328 WeakPolarHBondContact CA-O 3.47Å; I303-A328 PolarHBondContact N-O 3.23Å
329I98.3Very high96.4Very high2 Ų241 Ų411%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-123.3129.2-173.1-55.6169.6000108.7I303 I313 V327 Y340 L344 I383 L384I303-I329 HydrophobicContact CB-CB 4.29Å; I303-I329 HydrophobicContact CB-CG1 4.01Å; I303-I329 HydrophobicContact CB-CG2 3.94Å; I303-I329 HydrophobicContact CD1-CD1 4.22Å; I303-I329 HydrophobicContact CD1-CG1 4.11Å; I303-I329 HydrophobicContact CG1-CG1 4.25Å; I303-I329 HydrophobicContact CG2-CG2 4.09Å; I303-I329 CarbonylContact O-C 3.41Å; I303-I329 WeakPolarHBondContact O-CA 3.38Å; I313-I329 HydrophobicContact CD1-CD1 4.44Å; V327-I329 HydrophobicContact CG1-CD1 3.74Å; V327-I329 HydrophobicContact CG1-CG1 3.77Å; I329-Y340 HydrophobicContact CD1-CD2 4.45Å; I329-Y340 HydrophobicContact CG2-CD2 3.59Å; I329-Y340 HydrophobicContact CG2-CE2 3.82Å; I329-L344 HydrophobicContact CD1-CD1 4.04Å; I329-I383 CarbonylContact O-C 3.59Å; I329-I383 WeakPolarHBondContact O-CA 3.4Å; I329-L384 HydrophobicContact CB-CB 4.26Å; I329-L384 HydrophobicContact CD1-CD2 4.22Å; I329-L384 PolarHBondContact N-O 2.76Å; I329-L384 PolarHBondContact O-N 3.07Å
330Y97.9Very high96.6Very high2 Ų237.4 Ų37.41%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-104.9135.6169.7172.1-96.2000110.1M183 M185 Y189 I303 A304 D332 P380 Y382 I383M183-Y330 HydrophobicContact CB-CE1 3.74Å; M183-Y330 HydrophobicContact CE-CD1 3.72Å; M183-Y330 HydrophobicContact CE-CE1 3.78Å; M183-Y330 WeakPolarHBondContact O-CE1 3.23Å; M183-Y330 PolarHBondContact O-OH 2.94Å; M185-Y330 VanDerWaalsContact CA-OH 3.24Å; M185-Y330 WeakPolarHBondContact CA-OH 3.42Å; M185-Y330 HydrophobicContact CB-CD1 4.17Å; M185-Y330 HydrophobicContact CB-CD2 4.46Å; M185-Y330 HydrophobicContact CB-CE1 3.65Å; M185-Y330 HydrophobicContact CB-CE2 3.95Å; M185-Y330 HydrophobicContact CG-CD1 4.27Å; M185-Y330 HydrophobicContact CG-CD2 3.95Å; M185-Y330 HydrophobicContact CG-CE1 4.15Å; M185-Y330 HydrophobicContact CG-CE2 3.79Å; M185-Y330 HydrophobicContact CG-CG 4.18Å; M185-Y330 PolarHBondContact N-OH 3.41Å; M185-Y330 VanDerWaalsContact N-OH 3.15Å; M185-Y330 HydrophobicContact SD-CD1 4.05Å; M185-Y330 HydrophobicContact SD-CD2 4.1Å; M185-Y330 HydrophobicContact SD-CE1 4.49Å; M185-Y330 HydrophobicContact SD-CG 3.85Å; Y189-Y330 HydrophobicContact CD1-CD2 4.09Å; Y189-Y330 AromaticContact CD1-CE2 3.89Å; Y189-Y330 HydrophobicContact CD1-CE2 3.89Å; I303-Y330 PolarHBondContact O-N 3.22Å; A304-Y330 HydrophobicContact CB-CD1 4.34Å; Y330-D332 HydrophobicContact CE1-CB 4.5Å; Y330-P380 WeakPolarHBondContact CE2-O 3.42Å; Y330-P380 PolarHBondContact OH-O 3.04Å; Y330-Y382 WeakPolarHBondContact CA-O 3.25Å; Y330-I383 HydrophobicContact CD2-CD1 4.01Å; Y330-I383 HydrophobicContact CD2-CG1 4.49Å
331S96.2Very high96.7Very high3 Ų339.6 Ų39.62%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-139.3133171.9178.20000109.5V333 G381 Y382S331-V333 PolarHBondContact O-N 3.11Å; S331-V333 PolarHBondContact OG-N 3.12Å; S331-V333 VanDerWaalsContact OG-N 3.16Å; S331-V333 PolarHBondContact OG-O 3.44Å; S331-G381 CarbonylContact O-C 3.58Å; S331-G381 WeakPolarHBondContact O-CA 3.47Å; S331-Y382 PolarHBondContact N-O 3.32Å; S331-Y382 PolarHBondContact O-N 2.84Å
332D94Very high96.7Very high62 Ų6243.6 Ų43.633%0.33223%0.233SC..SBendtrans-75.1-14.3170.862-32.3000112.6M183 Y330M183-D332 WeakPolarHBondContact O-CB 3.09Å; Y330-D332 HydrophobicContact CE1-CB 4.5Å
333V94Very high96.7Very high70 Ų7041.4 Ų41.442%0.42423%0.229SC..  trans-111.4122.7-179.2-176.60000111.1S331 Q335 L336 A337S331-V333 PolarHBondContact O-N 3.11Å; S331-V333 PolarHBondContact OG-N 3.12Å; S331-V333 VanDerWaalsContact OG-N 3.16Å; S331-V333 PolarHBondContact OG-O 3.44Å; V333-Q335 HydrophobicContact CG1-CB 4.07Å; V333-Q335 PolarHBondContact O-N 2.86Å; V333-L336 HydrophobicContact CB-CB 4.27Å; V333-L336 HydrophobicContact CG1-CB 4.46Å; V333-L336 PolarHBondContact O-N 2.92Å; V333-A337 PolarHBondContact O-N 3.43Å; V333-A337 VanDerWaalsContact O-N 3.16Å
334M93.8Very high96.7Very high76 Ų7638.1 Ų38.137%0.37421%0.207SC..Hα-helixtrans-59.2-45.9178.2-179.558.6100.500112.3L336 A337 V338 L355 Y382M334-L336 VanDerWaalsContact C-N 3.3Å; M334-L336 PolarHBondContact O-N 3.33Å; M334-A337 WeakPolarHBondContact O-CB 3.33Å; M334-A337 PolarHBondContact O-N 2.99Å; M334-A337 VanDerWaalsContact O-N 3.07Å; M334-V338 HydrophobicContact CG-CG2 4.27Å; M334-V338 WeakPolarHBondContact O-CG2 3.47Å; M334-V338 PolarHBondContact O-N 2.93Å; M334-V338 HydrophobicContact SD-CG2 4.06Å; M334-L355 HydrophobicContact SD-CD2 3.86Å; M334-Y382 VanDerWaalsContact CA-CE2 3.46Å; M334-Y382 HydrophobicContact CB-CD2 3.99Å; M334-Y382 HydrophobicContact CB-CE1 4.49Å; M334-Y382 HydrophobicContact CB-CE2 3.43Å; M334-Y382 VanDerWaalsContact CB-CE2 3.43Å; M334-Y382 HydrophobicContact CE-CD1 3.49Å; M334-Y382 VanDerWaalsContact CE-CD1 3.49Å; M334-Y382 HydrophobicContact CE-CE1 3.05Å; M334-Y382 HydrophobicContact CE-CE2 4.34Å; M334-Y382 HydrophobicContact CE-CG 4.29Å; M334-Y382 HydrophobicContact CG-CE2 4.33Å; M334-Y382 HydrophobicContact SD-CD1 3.81Å; M334-Y382 HydrophobicContact SD-CD2 4.23Å; M334-Y382 HydrophobicContact SD-CE1 3.81Å; M334-Y382 HydrophobicContact SD-CE2 4.22Å; M334-Y382 HydrophobicContact SD-CG 4.02Å
335Q95.5Very high96.7Very high122 Ų12241.8 Ų41.857%0.5721%0.208SC*.Hα-helixtrans-55.2-47.1-178-17963.723.200111.4V333 V338 E339V333-Q335 HydrophobicContact CG1-CB 4.07Å; V333-Q335 PolarHBondContact O-N 2.86Å; Q335-V338 PolarHBondContact O-N 3.24Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.42Å; Q335-E339 PolarHBondContact NE2-OE1 2.8Å; Q335-E339 WeakPolarHBondContact O-CG 3.46Å; Q335-E339 PolarHBondContact O-N 3.19Å
336L95.9Very high96.6Very high27 Ų2746.3 Ų46.314%0.14124%0.235CC..Hα-helixtrans-66.2-38.3177.5-175.563.1000112D308 V333 M334 V338 E339 Y340D308-L336 HydrophobicContact CB-CD1 4.06Å; V333-L336 HydrophobicContact CB-CB 4.27Å; V333-L336 HydrophobicContact CG1-CB 4.46Å; V333-L336 PolarHBondContact O-N 2.92Å; M334-L336 VanDerWaalsContact C-N 3.3Å; M334-L336 PolarHBondContact O-N 3.33Å; L336-V338 VanDerWaalsContact C-N 3.31Å; L336-V338 PolarHBondContact O-N 2.82Å; L336-E339 PolarHBondContact O-N 3.22Å; L336-Y340 HydrophobicContact CD1-CD1 4.32Å; L336-Y340 HydrophobicContact CD1-CE1 3.69Å; L336-Y340 HydrophobicContact CD1-CE2 4.28Å; L336-Y340 HydrophobicContact CD2-CE2 4.16Å; L336-Y340 HydrophobicContact CG-CD2 4.38Å; L336-Y340 HydrophobicContact CG-CE1 4.16Å; L336-Y340 HydrophobicContact CG-CE2 3.83Å; L336-Y340 PolarHBondContact O-N 3.45Å
337A96.1Very high96.4Very high1 Ų146 Ų461%0.00824%0.235CC..Hα-helixtrans-63.3-37.7175.900000112.2V333 M334 F341 L355V333-A337 PolarHBondContact O-N 3.43Å; V333-A337 VanDerWaalsContact O-N 3.16Å; M334-A337 WeakPolarHBondContact O-CB 3.33Å; M334-A337 PolarHBondContact O-N 2.99Å; M334-A337 VanDerWaalsContact O-N 3.07Å; A337-F341 WeakPolarHBondContact O-CB 3.45Å; A337-F341 PolarHBondContact O-N 3.37Å; A337-L355 HydrophobicContact CB-CD1 3.81Å
338V97Very high96.2Very high66 Ų6653 Ų5340%0.427%0.267SS..Hα-helixtrans-69-39.7175.3172.90000111.3M334 Q335 L336 F341 D342 L355M334-V338 HydrophobicContact CG-CG2 4.27Å; M334-V338 WeakPolarHBondContact O-CG2 3.47Å; M334-V338 PolarHBondContact O-N 2.93Å; M334-V338 HydrophobicContact SD-CG2 4.06Å; Q335-V338 PolarHBondContact O-N 3.24Å; L336-V338 VanDerWaalsContact C-N 3.31Å; L336-V338 PolarHBondContact O-N 2.82Å; V338-F341 WeakPolarHBondContact O-CB 3.3Å; V338-F341 PolarHBondContact O-N 2.89Å; V338-D342 PolarHBondContact O-N 3.34Å; V338-L355 HydrophobicContact CG2-CD2 4.25Å
339E97.2Very high96Very high69 Ų6955.1 Ų55.132%0.32228%0.277SS..Hα-helixtrans-62.2-43.5174.8-73.8167-165.900111.5Q335 L336 F341 D342 V343Q335-E339 WeakPolarHBondContact CG-OE1 3.42Å; Q335-E339 PolarHBondContact NE2-OE1 2.8Å; Q335-E339 WeakPolarHBondContact O-CG 3.46Å; Q335-E339 PolarHBondContact O-N 3.19Å; L336-E339 PolarHBondContact O-N 3.22Å; E339-F341 PolarHBondContact O-N 3Å; E339-D342 PolarHBondContact O-N 2.94Å; E339-V343 PolarHBondContact O-N 3.23Å
340Y97.8Very high96Very high3 Ų355.6 Ų55.61%0.01228%0.28CS..Hα-helixtrans-62.6-40.7172.4-66.1-17.7000112.6Y307 L309 T310 I313 I329 L336 D342 V343 L344Y307-Y340 PolarHBondContact O-OH 3.32Å; L309-Y340 PolarHBondContact N-OH 2.91Å; T310-Y340 WeakPolarHBondContact OG1-CD1 3.13Å; T310-Y340 VanDerWaalsContact OG1-CE1 3.25Å; T310-Y340 WeakPolarHBondContact OG1-CE1 3.34Å; I313-Y340 HydrophobicContact CD1-CD1 3.32Å; I313-Y340 HydrophobicContact CD1-CD2 4.26Å; I313-Y340 HydrophobicContact CD1-CE1 3.47Å; I313-Y340 VanDerWaalsContact CD1-CE1 3.47Å; I313-Y340 HydrophobicContact CD1-CE2 4.39Å; I313-Y340 HydrophobicContact CD1-CG 3.73Å; I329-Y340 HydrophobicContact CD1-CD2 4.45Å; I329-Y340 HydrophobicContact CG2-CD2 3.59Å; I329-Y340 HydrophobicContact CG2-CE2 3.82Å; L336-Y340 HydrophobicContact CD1-CD1 4.32Å; L336-Y340 HydrophobicContact CD1-CE1 3.69Å; L336-Y340 HydrophobicContact CD1-CE2 4.28Å; L336-Y340 HydrophobicContact CD2-CE2 4.16Å; L336-Y340 HydrophobicContact CG-CD2 4.38Å; L336-Y340 HydrophobicContact CG-CE1 4.16Å; L336-Y340 HydrophobicContact CG-CE2 3.83Å; L336-Y340 PolarHBondContact O-N 3.45Å; Y340-D342 VanDerWaalsContact C-N 3.34Å; Y340-D342 PolarHBondContact O-N 3Å; Y340-V343 PolarHBondContact O-N 3.05Å; Y340-L344 WeakPolarHBondContact O-CB 3.48Å; Y340-L344 VanDerWaalsContact O-CG 3.32Å; Y340-L344 WeakPolarHBondContact O-CG 3.29Å; Y340-L344 PolarHBondContact O-N 3.26Å
341F97.8Very high95.9Very high55 Ų5558.5 Ų58.524%0.24130%0.298CS..Hα-helixtrans-59.6-46.3175.6-178.8-78.3000111.1A337 V338 E339 L344 R345 L353 L355 L384A337-F341 WeakPolarHBondContact O-CB 3.45Å; A337-F341 PolarHBondContact O-N 3.37Å; V338-F341 WeakPolarHBondContact O-CB 3.3Å; V338-F341 PolarHBondContact O-N 2.89Å; E339-F341 PolarHBondContact O-N 3Å; F341-L344 PolarHBondContact O-N 2.95Å; F341-R345 HydrophobicContact CE1-CB 4.45Å; F341-R345 VanDerWaalsContact O-CB 3.22Å; F341-R345 WeakPolarHBondContact O-CB 3.47Å; F341-R345 PolarHBondContact O-N 2.9Å; F341-L353 HydrophobicContact CD2-CB 4.15Å; F341-L353 HydrophobicContact CE2-CB 3.63Å; F341-L353 HydrophobicContact CZ-CB 4.18Å; F341-L355 HydrophobicContact CD2-CB 4.49Å; F341-L384 HydrophobicContact CB-CD1 4.16Å; F341-L384 HydrophobicContact CB-CD2 4.08Å; F341-L384 HydrophobicContact CD2-CD1 3.61Å; F341-L384 HydrophobicContact CG-CD1 4.35Å
342D97.4Very high95.9Very high94 Ų9465.8 Ų65.850%0.50333%0.331SS..Hα-helixtrans-65-42.8-179.3-170.653.8000112.1V338 E339 Y340 R345 T346V338-D342 PolarHBondContact O-N 3.34Å; E339-D342 PolarHBondContact O-N 2.94Å; Y340-D342 VanDerWaalsContact C-N 3.34Å; Y340-D342 PolarHBondContact O-N 3Å; D342-R345 PolarHBondContact O-N 3.09Å; D342-T346 WeakPolarHBondContact O-CB 3.38Å; D342-T346 PolarHBondContact O-N 2.92Å; D342-T346 PolarHBondContact O-OG1 3.46Å
343V96.7Very high96.1Very high37 Ų3764.5 Ų64.522%0.22432%0.324CS..Hα-helixtrans-65.2-44.5177.4164.20000112.2T310 V314 E339 Y340 T346 S347T310-V343 HydrophobicContact CG2-CB 4.48Å; T310-V343 HydrophobicContact CG2-CG2 3.53Å; V314-V343 HydrophobicContact CB-CG1 4.25Å; V314-V343 HydrophobicContact CG2-CG1 3.35Å; E339-V343 PolarHBondContact O-N 3.23Å; Y340-V343 PolarHBondContact O-N 3.05Å; V343-T346 PolarHBondContact O-N 2.96Å; V343-S347 WeakPolarHBondContact O-CB 3.34Å; V343-S347 PolarHBondContact O-N 2.96Å
344L96.9Very high96.2Very high0 Ų065.5 Ų65.50%032%0.324CS..Hα-helixtrans-62.5-45.9174.8-71.5179.8000111.2I313 L318 V327 I329 Y340 F341 T346 S347 T350 L353 L384I313-L344 HydrophobicContact CG2-CD2 3.59Å; I313-L344 HydrophobicContact CG2-CG 4.34Å; L318-L344 HydrophobicContact CD1-CD2 4.41Å; L318-L344 HydrophobicContact CD2-CD2 4.02Å; V327-L344 HydrophobicContact CG1-CD1 4.25Å; I329-L344 HydrophobicContact CD1-CD1 4.04Å; Y340-L344 WeakPolarHBondContact O-CB 3.48Å; Y340-L344 VanDerWaalsContact O-CG 3.32Å; Y340-L344 WeakPolarHBondContact O-CG 3.29Å; Y340-L344 PolarHBondContact O-N 3.26Å; F341-L344 PolarHBondContact O-N 2.95Å; L344-T346 VanDerWaalsContact C-N 3.35Å; L344-T346 PolarHBondContact O-N 2.99Å; L344-S347 PolarHBondContact O-N 2.96Å; L344-S347 PolarHBondContact O-OG 3.1Å; L344-T350 HydrophobicContact CD2-CG2 4.04Å; L344-T350 PolarHBondContact O-OG1 3.37Å; L344-T350 VanDerWaalsContact O-OG1 3.08Å; L344-L353 HydrophobicContact CB-CD1 3.93Å; L344-L353 HydrophobicContact CB-CD2 3.91Å; L344-L353 HydrophobicContact CD1-CD2 3.82Å; L344-L384 HydrophobicContact CD1-CD2 3.97Å; L344-L384 HydrophobicContact CD1-CG 4.39Å
345R96.1Very high96.3Very high164 Ų16464.7 Ų64.762%0.61932%0.321SS*.Hα-helixtrans-60.8-43.7178.2-177.1177.3-179.4175.12.2112.1F341 D342 S347 Q348 L353F341-R345 HydrophobicContact CE1-CB 4.45Å; F341-R345 VanDerWaalsContact O-CB 3.22Å; F341-R345 WeakPolarHBondContact O-CB 3.47Å; F341-R345 PolarHBondContact O-N 2.9Å; D342-R345 PolarHBondContact O-N 3.09Å; R345-S347 VanDerWaalsContact C-N 3.32Å; R345-S347 PolarHBondContact O-N 3.27Å; R345-Q348 PolarHBondContact O-N 2.97Å; R345-L353 HydrophobicContact CB-CD1 3.82Å
346T96Very high96.3Very high95 Ų9559.8 Ų59.858%0.58330%0.299SS*.Hα-helixtrans-70.4-30.1-177.7-62.50000112.2D342 V343 L344 Q348D342-T346 WeakPolarHBondContact O-CB 3.38Å; D342-T346 PolarHBondContact O-N 2.92Å; D342-T346 PolarHBondContact O-OG1 3.46Å; V343-T346 PolarHBondContact O-N 2.96Å; L344-T346 VanDerWaalsContact C-N 3.35Å; L344-T346 PolarHBondContact O-N 2.99Å; T346-Q348 PolarHBondContact O-N 3.35Å
347S94.6Very high96.1Very high18 Ų1862.7 Ų62.713%0.12632%0.315CS..Hα-helixtrans-62.1-23.6177.3780000113.9V343 L344 R345 Q349 N391V343-S347 WeakPolarHBondContact O-CB 3.34Å; V343-S347 PolarHBondContact O-N 2.96Å; L344-S347 PolarHBondContact O-N 2.96Å; L344-S347 PolarHBondContact O-OG 3.1Å; R345-S347 VanDerWaalsContact C-N 3.32Å; R345-S347 PolarHBondContact O-N 3.27Å; S347-Q349 PolarHBondContact O-N 3.38Å; S347-Q349 PolarHBondContact OG-N 3.48Å; S347-Q349 VanDerWaalsContact OG-N 3.15Å; S347-N391 PolarHBondContact O-ND2 2.99Å
348Q93.3Very high95.7Very high147 Ų14763.9 Ų63.969%0.68732%0.323SS*.SBendtrans59.63.8-170.2-57.6-177.5-3.600114.8R345 T346 T350 N391R345-Q348 PolarHBondContact O-N 2.97Å; T346-Q348 PolarHBondContact O-N 3.35Å; Q348-T350 VanDerWaalsContact C-N 3.3Å; Q348-T350 PolarHBondContact O-N 2.85Å; Q348-N391 PolarHBondContact O-OD1 2.9Å
349Q94.6Very high95.2Very high44 Ų4468.2 Ų68.221%0.20634%0.336CS..SBendtrans-87.93.9-179.8-65.4176.4-62.500113.1L318 S347 V388 V389 N391L318-Q349 HydrophobicContact CD2-CB 3.63Å; L318-Q349 HydrophobicContact CD2-CG 4.5Å; L318-Q349 HydrophobicContact CG-CB 4.38Å; S347-Q349 PolarHBondContact O-N 3.38Å; S347-Q349 PolarHBondContact OG-N 3.48Å; S347-Q349 VanDerWaalsContact OG-N 3.15Å; Q349-V388 CarbonylContact O-C 3.08Å; Q349-V388 WeakPolarHBondContact O-CA 3.14Å; Q349-V389 PolarHBondContact O-N 2.64Å; Q349-N391 WeakPolarHBondContact CA-OD1 3.48Å; Q349-N391 HydrophobicContact CG-CB 4.33Å; Q349-N391 WeakPolarHBondContact CG-ND2 3.39Å; Q349-N391 VanDerWaalsContact CG-OD1 3.3Å; Q349-N391 WeakPolarHBondContact CG-OD1 3.39Å; Q349-N391 PolarHBondContact N-OD1 2.89Å
350T96.5Very high94.7Very high12 Ų1267.9 Ų67.97%0.07434%0.336CS..EExtended strand (participates in β ladder)trans-137146.5179.756.90000112.5L318 L344 Q348 I387L318-T350 HydrophobicContact CD1-CG2 3.97Å; L318-T350 HydrophobicContact CD2-CG2 4.05Å; L344-T350 HydrophobicContact CD2-CG2 4.04Å; L344-T350 PolarHBondContact O-OG1 3.37Å; L344-T350 VanDerWaalsContact O-OG1 3.08Å; Q348-T350 VanDerWaalsContact C-N 3.3Å; Q348-T350 PolarHBondContact O-N 2.85Å; T350-I387 CarbonylContact C-O 3.52Å; T350-I387 WeakPolarHBondContact CA-O 3.49Å
351V97.1Very high94.2Very high64 Ų6474.4 Ų74.439%0.38836%0.361SS..EExtended strand (participates in β ladder)trans-127.7169.7173.8-59.90000110.6L353 I387 V389V351-L353 PolarHBondContact O-N 2.96Å; V351-I387 HydrophobicContact CG2-CB 4.01Å; V351-I387 HydrophobicContact CG2-CG2 4.43Å; V351-I387 PolarHBondContact N-O 2.84Å; V351-I387 PolarHBondContact O-N 3.34Å; V351-V389 HydrophobicContact CB-CG1 4.34Å; V351-V389 HydrophobicContact CG1-CG1 3.81Å; V351-V389 HydrophobicContact CG1-CG2 3.95Å; V351-V389 HydrophobicContact CG2-CG1 3.63Å
352E96.3Very high93.8Very high155 Ų15577.5 Ų77.572%0.72437%0.372SS*.EExtended strand (participates in β ladder)trans52.342.4179.5-60.9-60.9146.700112.5E354 I387E352-E354 PolarHBondContact O-N 3.26Å; E352-I387 HydrophobicContact CB-CD1 4.43Å
353L97.4Very high93.5Very high35 Ų3578 Ų7818%0.18337%0.371CS..EExtended strand (participates in β ladder)trans-68.9121.4177.5-70.4172.4000110.3F341 L344 R345 V351 T385F341-L353 HydrophobicContact CD2-CB 4.15Å; F341-L353 HydrophobicContact CE2-CB 3.63Å; F341-L353 HydrophobicContact CZ-CB 4.18Å; L344-L353 HydrophobicContact CB-CD1 3.93Å; L344-L353 HydrophobicContact CB-CD2 3.91Å; L344-L353 HydrophobicContact CD1-CD2 3.82Å; R345-L353 HydrophobicContact CB-CD1 3.82Å; V351-L353 PolarHBondContact O-N 2.96Å; L353-T385 VanDerWaalsContact CA-O 3.27Å; L353-T385 WeakPolarHBondContact CA-O 3.15Å
354E96.9Very high93.1Very high91 Ų9179.2 Ų79.243%0.42537%0.374SS..EExtended strand (participates in β ladder)trans-127.1126.3-179.8-168.1-176-171.100110.2Y196 E352 I356 L384 T385Y196-E354 PolarHBondContact OH-OE2 3.05Å; E352-E354 PolarHBondContact O-N 3.26Å; E354-I356 HydrophobicContact CB-CG1 4.48Å; E354-I356 HydrophobicContact CG-CD1 4.28Å; E354-I356 HydrophobicContact CG-CG1 3.74Å; E354-L384 CarbonylContact O-C 3.54Å; E354-L384 WeakPolarHBondContact O-CA 3.44Å; E354-T385 PolarHBondContact N-O 3.37Å; E354-T385 PolarHBondContact O-N 2.77Å
355L96.3Very high92.7Very high59 Ų5985.6 Ų85.631%0.30941%0.407SS..EExtended strand (participates in β ladder)trans-104.1115.8171.6-176.566.3000109.3M334 A337 V338 F341 I383 L384M334-L355 HydrophobicContact SD-CD2 3.86Å; A337-L355 HydrophobicContact CB-CD1 3.81Å; V338-L355 HydrophobicContact CG2-CD2 4.25Å; F341-L355 HydrophobicContact CD2-CB 4.49Å; L355-I383 CarbonylContact C-O 3.5Å; L355-L384 HydrophobicContact CD1-CB 4.11Å
356I94.1Very high92.2Very high19 Ų1980.6 Ų80.610%0.09739%0.392CS..EExtended strand (participates in β ladder)trans-110.2129.4-168.6-55.3169.6000110Y196 E354 I383 T385Y196-I356 HydrophobicContact CD2-CD1 4.23Å; Y196-I356 HydrophobicContact CE1-CD1 4.37Å; Y196-I356 HydrophobicContact CE2-CD1 3.41Å; Y196-I356 VanDerWaalsContact CE2-CD1 3.41Å; Y196-I356 VanDerWaalsContact CZ-CD1 3.47Å; Y196-I356 VanDerWaalsContact OH-CD1 3.31Å; Y196-I356 WeakPolarHBondContact OH-CD1 3.4Å; E354-I356 HydrophobicContact CB-CG1 4.48Å; E354-I356 HydrophobicContact CG-CD1 4.28Å; E354-I356 HydrophobicContact CG-CG1 3.74Å; I356-I383 HydrophobicContact CB-CB 4.26Å; I356-I383 HydrophobicContact CD1-CG2 4.39Å; I356-I383 PolarHBondContact N-O 3.36Å; I356-I383 PolarHBondContact O-N 3.11Å; I356-T385 HydrophobicContact CD1-CG2 4.08Å
357D91.2Very high91.6Very high89 Ų8980 Ų8048%0.47639%0.39SS..  trans-123.1129.7166.2-171.91.5000108.6Y189 Y382Y189-D357 WeakPolarHBondContact OH-CA 3.12Å; Y189-D357 PolarHBondContact OH-OD1 2.97Å; D357-Y382 HydrophobicContact CB-CD1 4.07Å; D357-Y382 HydrophobicContact CB-CE1 4.09Å
358S87.5Confident91.2Very high25 Ų2587 Ų8718%0.17543%0.426CS..  trans-138.2144.2-172.6-164.30000111.8R186 Y189R186-S358 PolarHBondContact NH2-O 3.27Å; Y189-S358 VanDerWaalsContact CE2-O 3.3Å; Y189-S358 WeakPolarHBondContact CE2-O 3.36Å; Y189-S358 PolarHBondContact OH-N 3.42Å; Y189-S358 PolarHBondContact OH-O 3.06Å
359F86.6Confident90.8Very high157 Ų15782.8 Ų82.869%0.68940%0.404SS*.  trans-108.7143.2176.377.6-83.5000110.9R361F359-R361 HydrophobicContact CD2-CB 4.45Å; F359-R361 HydrophobicContact CE2-CB 4.42Å
360L87.1Confident90.6Very high62 Ų6285 Ų8533%0.32542%0.421SS..  trans-116.7127.9173.8-179.464.8000108.9R186 D188 Y362R186-L360 VanDerWaalsContact NH2-N 3.15Å; D188-L360 HydrophobicContact CB-CD2 4.41Å; L360-Y362 HydrophobicContact CD2-CE1 4.44Å; L360-Y362 HydrophobicContact CD2-CE2 3.8Å; L360-Y362 HydrophobicContact CG-CE2 4.27Å
361R88.4Confident90.4Very high141 Ų14190.7 Ų90.753%0.53244%0.441SS..  trans-124.8108.6177.7-161.7169.8-162.7-175.8-3111.4F359 H363 P372F359-R361 HydrophobicContact CD2-CB 4.45Å; F359-R361 HydrophobicContact CE2-CB 4.42Å; R361-H363 PolarHBondContact O-CE1 3.36Å; R361-H363 PolarHBondContact O-ND1 3.31Å; R361-P372 HydrophobicContact CG-CB 4.05Å; R361-P372 VanDerWaalsContact CZ-CB 3.42Å
362Y88.2Confident90.2Very high119 Ų11989.4 Ų89.447%0.46743%0.434SS..  trans-70140.3170.7-65.9-77.4000110.6L360 N373L360-Y362 HydrophobicContact CD2-CE1 4.44Å; L360-Y362 HydrophobicContact CD2-CE2 3.8Å; L360-Y362 HydrophobicContact CG-CE2 4.27Å; Y362-N373 WeakPolarHBondContact CB-ND2 3.44Å; Y362-N373 PolarHBondContact O-N 3.2Å
363H91.7Very high89.8Confident106 Ų10685.4 Ų85.449%0.49142%0.417SS..EExtended strand (participates in β ladder)trans-113.9135.6176.4-68.575.2000109.7R361 I365R361-H363 PolarHBondContact O-CE1 3.36Å; R361-H363 PolarHBondContact O-ND1 3.31Å; H363-I365 HydrophobicContact CB-CG1 4.29Å
364Q88.1Confident88.8Confident61 Ų6191.2 Ų91.229%0.28545%0.446SS..EExtended strand (participates in β ladder)trans-78.7122.8160.8-176.9-175.6-73.900106.8L366 R369 T370 R371Q364-L366 HydrophobicContact CG-CD1 3.9Å; Q364-L366 HydrophobicContact CG-CG 4.02Å; Q364-R369 PolarHBondContact NE2-O 3.07Å; Q364-T370 VanDerWaalsContact O-CA 3.22Å; Q364-T370 WeakPolarHBondContact O-CA 3.39Å; Q364-R371 PolarHBondContact N-O 3.49Å; Q364-R371 PolarHBondContact O-N 3.06Å
365I89.3Confident87.9Confident135 Ų13591.2 Ų91.269%0.69246%0.461SS*.  trans-116.1103.5175.9-57174.9000106.6H363H363-I365 HydrophobicContact CB-CG1 4.29Å
366L84.5Confident86.5Confident58 Ų5891.7 Ų91.730%0.30448%0.48SS..  trans-146.1145.2179.6-70.7177.5000108Q364 N368 R369 T370Q364-L366 HydrophobicContact CG-CD1 3.9Å; Q364-L366 HydrophobicContact CG-CG 4.02Å; L366-N368 PolarHBondContact O-N 2.92Å; L366-R369 HydrophobicContact CB-CB 4.02Å; L366-R369 CarbonylContact O-C 3.46Å; L366-R369 PolarHBondContact O-N 3.21Å; L366-T370 PolarHBondContact N-OG1 3.11Å; L366-T370 PolarHBondContact O-N 3.06Å; L366-T370 PolarHBondContact O-OG1 3.2Å
367P84.3Confident85.2Confident83 Ų8399 Ų9954%0.53951%0.508SS..THydrogen-bonded Turntrans-50128.1177.5-28.434.8000111.9R369P367-R369 PolarHBondContact O-N 3.2Å
368N86.2Confident84Confident164 Ų164103.5 Ų103.588%0.87752%0.523SS*.THydrogen-bonded Turntrans52.717.9-177.2-60.8-30.9000115.7L366L366-N368 PolarHBondContact O-N 2.92Å
369R84.5Confident83.3Confident60 Ų60104.7 Ų104.723%0.22653%0.532CS..  trans-141.322.3-177.2-67.5177.8-72169.48.1112.2L143 Q364 L366 P367 R371L143-R369 HydrophobicContact CD1-CG 4.11Å; L143-R369 HydrophobicContact CD2-CG 4.21Å; Q364-R369 PolarHBondContact NE2-O 3.07Å; L366-R369 HydrophobicContact CB-CB 4.02Å; L366-R369 CarbonylContact O-C 3.46Å; L366-R369 PolarHBondContact O-N 3.21Å; P367-R369 PolarHBondContact O-N 3.2Å; R369-R371 PolarHBondContact O-N 2.94Å
370T91.3Very high83.1Confident91 Ų9197.4 Ų97.456%0.55850%0.5SS*.  trans-73.4124177.6-63.60000110Q364 L366Q364-T370 VanDerWaalsContact O-CA 3.22Å; Q364-T370 WeakPolarHBondContact O-CA 3.39Å; L366-T370 PolarHBondContact N-OG1 3.11Å; L366-T370 PolarHBondContact O-N 3.06Å; L366-T370 PolarHBondContact O-OG1 3.2Å
371R91.8Very high83.3Confident130 Ų13094.7 Ų94.749%0.49149%0.487SS..EExtended strand (participates in β ladder)trans-162.5159.317862.3179.7-169.8-179.97.8110.6Q364 R369Q364-R371 PolarHBondContact N-O 3.49Å; Q364-R371 PolarHBondContact O-N 3.06Å; R369-R371 PolarHBondContact O-N 2.94Å
372P92.8Very high83.6Confident37 Ų3789.7 Ų89.724%0.2447%0.469CS..EExtended strand (participates in β ladder)trans-62.7150.4166.9-15.128.2000111.4R361 M374R361-P372 HydrophobicContact CG-CB 4.05Å; R361-P372 VanDerWaalsContact CZ-CB 3.42Å; P372-M374 PolarHBondContact O-N 2.74Å
373N87.3Confident84Confident71 Ų7184 Ų8438%0.3845%0.446SS..  trans-64.3135.1169.1-75.1-13.3000109.6Y362 A375Y362-N373 WeakPolarHBondContact CB-ND2 3.44Å; Y362-N373 PolarHBondContact O-N 3.2Å; N373-A375 VanDerWaalsContact C-N 3.29Å; N373-A375 PolarHBondContact O-N 3.03Å
374M77.2Confident84.3Confident158 Ų15879.1 Ų79.178%0.77842%0.424SS*.SBendtrans-76.7-17.4-176-62.6-59.5-65.300113.2P372P372-M374 PolarHBondContact O-N 2.74Å
375A77.2Confident84.8Confident90 Ų9076.6 Ų76.674%0.74441%0.412SS*.  trans-112.7134.2176.200000109.3N373N373-A375 VanDerWaalsContact C-N 3.29Å; N373-A375 PolarHBondContact O-N 3.03Å
376G68Low85.2Confident70 Ų7070.4 Ų70.472%0.72238%0.382SS*.  trans-166.6146.7175.300000110
377Y66.2Low85.9Confident172 Ų17270.7 Ų70.768%0.67538%0.383SS*.  trans-77.4128.7172.2-67.8-87000108.9R186R186-Y377 PolarHBondContact NH1-O 2.74Å
378F65.7Low86.5Confident183 Ų18367 Ų6780%0.80336%0.359SS*.SBendtrans-77-48.2-170.5-174.2-102.9000112.8
379S73.4Confident87Confident50 Ų5061.4 Ų61.435%0.3533%0.33SS..  trans-128.7119.7179.7-178.90000110.2
380P81.6Confident87Confident5 Ų563 Ų633%0.03235%0.349CS..  trans-100.127.7177.243.3-39.2000111.9R186 Y189 Y330R186-P380 HydrophobicContact CB-CB 3.52Å; R186-P380 HydrophobicContact CB-CG 3.95Å; R186-P380 HydrophobicContact CG-CB 4.49Å; Y189-P380 HydrophobicContact CD1-CG 4.27Å; Y189-P380 HydrophobicContact CD2-CG 3.46Å; Y189-P380 VanDerWaalsContact CD2-CG 3.46Å; Y189-P380 HydrophobicContact CE1-CG 4.11Å; Y189-P380 HydrophobicContact CE2-CG 3.24Å; Y189-P380 HydrophobicContact CG-CG 3.96Å; Y330-P380 WeakPolarHBondContact CE2-O 3.42Å; Y330-P380 PolarHBondContact OH-O 3.04Å
381G92Very high85.9Confident4 Ų465.9 Ų65.94%0.04136%0.362CS..  trans101-160.6-174.100000114.1Y189 S331Y189-G381 VanDerWaalsContact CE1-C 3.45Å; Y189-G381 WeakPolarHBondContact CE1-O 3.12Å; Y189-G381 PolarHBondContact OH-O 3.47Å; S331-G381 CarbonylContact O-C 3.58Å; S331-G381 WeakPolarHBondContact O-CA 3.47Å
382Y95.5Very high85.6Confident37 Ų3762.7 Ų62.715%0.14536%0.355CS..EExtended strand (participates in β ladder)trans-140.3144-169.2-54.5-79.9000110.6Y330 S331 M334 D357Y330-Y382 WeakPolarHBondContact CA-O 3.25Å; S331-Y382 PolarHBondContact N-O 3.32Å; S331-Y382 PolarHBondContact O-N 2.84Å; M334-Y382 VanDerWaalsContact CA-CE2 3.46Å; M334-Y382 HydrophobicContact CB-CD2 3.99Å; M334-Y382 HydrophobicContact CB-CE1 4.49Å; M334-Y382 HydrophobicContact CB-CE2 3.43Å; M334-Y382 VanDerWaalsContact CB-CE2 3.43Å; M334-Y382 HydrophobicContact CE-CD1 3.49Å; M334-Y382 VanDerWaalsContact CE-CD1 3.49Å; M334-Y382 HydrophobicContact CE-CE1 3.05Å; M334-Y382 HydrophobicContact CE-CE2 4.34Å; M334-Y382 HydrophobicContact CE-CG 4.29Å; M334-Y382 HydrophobicContact CG-CE2 4.33Å; M334-Y382 HydrophobicContact SD-CD1 3.81Å; M334-Y382 HydrophobicContact SD-CD2 4.23Å; M334-Y382 HydrophobicContact SD-CE1 3.81Å; M334-Y382 HydrophobicContact SD-CE2 4.22Å; M334-Y382 HydrophobicContact SD-CG 4.02Å; D357-Y382 HydrophobicContact CB-CD1 4.07Å; D357-Y382 HydrophobicContact CB-CE1 4.09Å
383I96.7Very high85.2Confident0 Ų064.1 Ų64.10%036%0.361CS..EExtended strand (participates in β ladder)trans-112.7122.4174.4-63.6-88.8000107.7Y189 L193 I329 Y330 L355 I356 T385Y189-I383 HydrophobicContact CD1-CD1 4.21Å; Y189-I383 HydrophobicContact CD1-CG1 3.54Å; Y189-I383 HydrophobicContact CE1-CG1 4.04Å; Y189-I383 HydrophobicContact CG-CG1 4.31Å; Y189-I383 WeakPolarHBondContact O-CD1 3.46Å; L193-I383 HydrophobicContact CB-CD1 3.77Å; L193-I383 HydrophobicContact CD1-CD1 4.04Å; L193-I383 HydrophobicContact CG-CD1 4.49Å; I329-I383 CarbonylContact O-C 3.59Å; I329-I383 WeakPolarHBondContact O-CA 3.4Å; Y330-I383 HydrophobicContact CD2-CD1 4.01Å; Y330-I383 HydrophobicContact CD2-CG1 4.49Å; L355-I383 CarbonylContact C-O 3.5Å; I356-I383 HydrophobicContact CB-CB 4.26Å; I356-I383 HydrophobicContact CD1-CG2 4.39Å; I356-I383 PolarHBondContact N-O 3.36Å; I356-I383 PolarHBondContact O-N 3.11Å; I383-T385 HydrophobicContact CG2-CG2 3.57Å
384L97.9Very high85.1Confident3 Ų363.7 Ų63.72%0.01636%0.36CS..EExtended strand (participates in β ladder)trans-104.4128.8170.617261.1000109I329 F341 L344 E354 L355I329-L384 HydrophobicContact CB-CB 4.26Å; I329-L384 HydrophobicContact CD1-CD2 4.22Å; I329-L384 PolarHBondContact N-O 2.76Å; I329-L384 PolarHBondContact O-N 3.07Å; F341-L384 HydrophobicContact CB-CD1 4.16Å; F341-L384 HydrophobicContact CB-CD2 4.08Å; F341-L384 HydrophobicContact CD2-CD1 3.61Å; F341-L384 HydrophobicContact CG-CD1 4.35Å; L344-L384 HydrophobicContact CD1-CD2 3.97Å; L344-L384 HydrophobicContact CD1-CG 4.39Å; E354-L384 CarbonylContact O-C 3.54Å; E354-L384 WeakPolarHBondContact O-CA 3.44Å; L355-L384 HydrophobicContact CD1-CB 4.11Å
385T98Very high85.5Confident7 Ų758.1 Ų58.14%0.04334%0.336CS..EExtended strand (participates in β ladder)trans-126.9159.3-179.578.90000111Y196 V327 L353 E354 I356 I383Y196-T385 HydrophobicContact CD1-CG2 3.69Å; Y196-T385 HydrophobicContact CD2-CG2 3.87Å; Y196-T385 HydrophobicContact CE1-CG2 4.15Å; Y196-T385 HydrophobicContact CE2-CG2 4.34Å; Y196-T385 HydrophobicContact CG-CG2 3.51Å; V327-T385 CarbonylContact O-C 3.56Å; V327-T385 VanDerWaalsContact O-CA 3.25Å; V327-T385 WeakPolarHBondContact O-CA 3.49Å; L353-T385 VanDerWaalsContact CA-O 3.27Å; L353-T385 WeakPolarHBondContact CA-O 3.15Å; E354-T385 PolarHBondContact N-O 3.37Å; E354-T385 PolarHBondContact O-N 2.77Å; I356-T385 HydrophobicContact CD1-CG2 4.08Å; I383-T385 HydrophobicContact CG2-CG2 3.57Å
386G97.8Very high86Confident5 Ų556.1 Ų56.15%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-174.4168.9173.700000112.8V327V327-G386 PolarHBondContact N-O 2.92Å; V327-G386 PolarHBondContact O-N 3.47Å
387I98.1Very high87.3Confident65 Ų6555.2 Ų55.233%0.33328%0.283SS..EExtended strand (participates in β ladder)trans-112.3129.6176.7-60.1172.9000108.8G325 T350 V351 E352G325-I387 WeakPolarHBondContact O-CA 3.19Å; T350-I387 CarbonylContact C-O 3.52Å; T350-I387 WeakPolarHBondContact CA-O 3.49Å; V351-I387 HydrophobicContact CG2-CB 4.01Å; V351-I387 HydrophobicContact CG2-CG2 4.43Å; V351-I387 PolarHBondContact N-O 2.84Å; V351-I387 PolarHBondContact O-N 3.34Å; E352-I387 HydrophobicContact CB-CD1 4.43Å
388V97.8Very high88.8Confident6 Ų646.9 Ų46.94%0.03626%0.255CS..EExtended strand (participates in β ladder)trans-74.3133.6176.9-174.30000109.9L318 I321 S324 G325 V327 Q349L318-V388 HydrophobicContact CD1-CG1 4.26Å; L318-V388 HydrophobicContact CD1-CG2 3.59Å; I321-V388 HydrophobicContact CB-CG2 4Å; I321-V388 HydrophobicContact CG2-CB 4.25Å; I321-V388 HydrophobicContact CG2-CG2 3.64Å; S324-V388 WeakPolarHBondContact CA-O 3.45Å; S324-V388 PolarHBondContact N-O 2.97Å; G325-V388 PolarHBondContact O-N 3.32Å; V327-V388 HydrophobicContact CG2-CG2 3.6Å; Q349-V388 CarbonylContact O-C 3.08Å; Q349-V388 WeakPolarHBondContact O-CA 3.14Å
389V95.9Very high90.5Very high45 Ų4536.4 Ų36.427%0.27321%0.213SC..  trans-121.9157.7175-66.90000110.3Q349 V351 N391Q349-V389 PolarHBondContact O-N 2.64Å; V351-V389 HydrophobicContact CB-CG1 4.34Å; V351-V389 HydrophobicContact CG1-CG1 3.81Å; V351-V389 HydrophobicContact CG1-CG2 3.95Å; V351-V389 HydrophobicContact CG2-CG1 3.63Å; V389-N391 PolarHBondContact O-N 3.35Å
390C84.2Confident92Very high93 Ų9335.3 Ų35.363%0.62820%0.201SC*.  trans-65.6134.2166.8-59.40000108.7P323P323-C390 VanDerWaalsContact CB-SG 3.51Å; P323-C390 WeakPolarHBondContact CG-SG 3.36Å
391N68.1Low92.9Very high153 Ų15338 Ų3882%0.81822%0.217SC*.  trans-75.70156.6-85.19.1000110.8S347 Q348 Q349 V389S347-N391 PolarHBondContact O-ND2 2.99Å; Q348-N391 PolarHBondContact O-OD1 2.9Å; Q349-N391 WeakPolarHBondContact CA-OD1 3.48Å; Q349-N391 HydrophobicContact CG-CB 4.33Å; Q349-N391 WeakPolarHBondContact CG-ND2 3.39Å; Q349-N391 VanDerWaalsContact CG-OD1 3.3Å; Q349-N391 WeakPolarHBondContact CG-OD1 3.39Å; Q349-N391 PolarHBondContact N-OD1 2.89Å; V389-N391 PolarHBondContact O-N 3.35Å

Retrieved 391 of 391 residues in 181 ms (Link to these results)

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