A0A077ZLE8_TRITR Loading...

LBP BPI CETP C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 494 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
1M70.9Confident82.7Confident98 Ų9885.8 Ų85.848%0.48346%0.458SS..  0137.40-172.1161.6-17100107.8V36 K37 I38 I55 M59M1-V36 HydrophobicContact CE-CG1 3.23Å; M1-K37 CarbonylContact C-O 3.52Å; M1-K37 WeakPolarHBondContact CA-O 3.44Å; M1-I38 HydrophobicContact CE-CD1 3.84Å; M1-I38 HydrophobicContact CE-CG1 3.74Å; M1-I38 HydrophobicContact CG-CG1 4.02Å; M1-I38 HydrophobicContact SD-CD1 4.27Å; M1-I38 HydrophobicContact SD-CG1 4.02Å; M1-I55 HydrophobicContact CE-CG2 3.59Å; M1-M59 HydrophobicContact CE-CE 3.35Å; M1-M59 HydrophobicContact CE-CG 3.72Å; M1-M59 HydrophobicContact CE-SD 3.04Å; M1-M59 WeakPolarHBondContact CE-SD 3.01Å; M1-M59 HydrophobicContact CG-CE 3.99Å; M1-M59 HydrophobicContact CG-SD 4.38Å; M1-M59 HydrophobicContact SD-CE 3.2Å; M1-M59 WeakPolarHBondContact SD-CE 3.47Å; M1-M59 HydrophobicContact SD-SD 3.8Å
2E81Confident83.1Confident86 Ų8684.7 Ų84.740%0.40246%0.456SS..EExtended strand (participates in β ladder)trans-131.3127.1-173.5-172.3-173.5168.300108.3Q4 K37E2-Q4 VanDerWaalsContact CD-NE2 3.3Å; E2-Q4 HydrophobicContact CG-CG 4.06Å; E2-Q4 PolarHBondContact OE1-NE2 3.42Å; E2-K37 HydrophobicContact CB-CB 4.31Å; E2-K37 PolarHBondContact N-O 3.18Å; E2-K37 PolarHBondContact O-N 2.84Å; E2-K37 IonicContact OE2-NZ 3.78Å
3V77.2Confident83.6Confident41 Ų4182.1 Ų82.125%0.24845%0.449CS..EExtended strand (participates in β ladder)trans-103.9123.5177.2-1720000107V6 V33 M59 I63V3-V6 HydrophobicContact CB-CG2 4.49Å; V3-V6 HydrophobicContact CG1-CG2 3.59Å; V3-V33 HydrophobicContact CG1-CB 4.38Å; V3-V33 HydrophobicContact CG1-CG1 3.41Å; V3-V33 VanDerWaalsContact CG1-CG1 3.41Å; V3-V33 HydrophobicContact CG1-CG2 4.08Å; V3-M59 HydrophobicContact CG2-SD 3.97Å; V3-I63 HydrophobicContact CG1-CD1 4.07Å; V3-I63 HydrophobicContact CG2-CD1 3.83Å
4Q82Confident84.1Confident66 Ų6679.5 Ų79.531%0.30843%0.434SS..EExtended strand (participates in β ladder)trans-120.5152.4-174.9-63.9-175.1-19.100110.8E2 V6 G34 K35E2-Q4 VanDerWaalsContact CD-NE2 3.3Å; E2-Q4 HydrophobicContact CG-CG 4.06Å; E2-Q4 PolarHBondContact OE1-NE2 3.42Å; Q4-V6 PolarHBondContact O-N 2.81Å; Q4-G34 PolarHBondContact O-N 3.48Å; Q4-K35 HydrophobicContact CB-CB 4.29Å; Q4-K35 PolarHBondContact N-O 2.95Å; Q4-K35 PolarHBondContact O-N 3.31Å; Q4-K35 VanDerWaalsContact O-N 3.14Å
5Q83.1Confident84.5Confident119 Ų11976.8 Ų76.856%0.55643%0.426SS*.EExtended strand (participates in β ladder)trans56.847.3176.3-57.1174.6-25.600112.4Q7 G34Q5-Q7 PolarHBondContact O-N 3.45Å; Q5-G34 PolarHBondContact O-N 2.84Å; Q5-G34 VanDerWaalsContact O-N 3.1Å
6V81.1Confident84.8Confident64 Ų6473.8 Ų73.839%0.38842%0.415SS..EExtended strand (participates in β ladder)trans-74.2116.4171.1-173.50000108V3 Q4 L31 S32 V33V3-V6 HydrophobicContact CB-CG2 4.49Å; V3-V6 HydrophobicContact CG1-CG2 3.59Å; Q4-V6 PolarHBondContact O-N 2.81Å; V6-L31 HydrophobicContact CG1-CD2 3.95Å; V6-S32 WeakPolarHBondContact CA-O 3.04Å; V6-V33 HydrophobicContact CG2-CG2 4.4Å
7Q86Confident85.1Confident136 Ų13671.9 Ų71.964%0.63640%0.403SS*.EExtended strand (participates in β ladder)trans-119.5150.5171.1-60.9-178.63.400107.9Q5 L31 S32Q5-Q7 PolarHBondContact O-N 3.45Å; Q7-L31 CarbonylContact O-C 3.53Å; Q7-L31 WeakPolarHBondContact O-CA 3.33Å; Q7-S32 PolarHBondContact N-O 3.49Å; Q7-S32 PolarHBondContact O-N 2.82Å
8G84.6Confident85.3Confident41 Ų4177.6 Ų77.642%0.42343%0.426SS..EExtended strand (participates in β ladder)trans-162.3154.8177.600000112.8D30G8-D30 CarbonylContact C-O 3.43Å; G8-D30 WeakPolarHBondContact CA-O 3.49Å
9N87.7Confident85.4Confident121 Ų12178.6 Ų78.665%0.64743%0.428SS*.EExtended strand (participates in β ladder)trans-115.2119.8175.1-71-34.5000108.2C29 D30N9-C29 WeakPolarHBondContact O-CA 3.37Å; N9-D30 PolarHBondContact N-O 3.41Å; N9-D30 PolarHBondContact O-N 3.16Å
10V86.5Confident85.5Confident67 Ų6775.1 Ų75.141%0.40641%0.41SS..EExtended strand (participates in β ladder)trans-107.7116168.7179.90000107.2T12 V26 V71V10-T12 HydrophobicContact CG1-CG2 4Å; V10-V26 HydrophobicContact CG1-CG1 4.27Å; V10-V71 HydrophobicContact CB-CG1 4.47Å; V10-V71 HydrophobicContact CG1-CG1 3.56Å; V10-V71 HydrophobicContact CG2-CG1 4.09Å; V10-V71 HydrophobicContact CG2-CG2 4.35Å
11I89.7Confident85.7Confident105 Ų10572.8 Ų72.854%0.53840%0.397SS..EExtended strand (participates in β ladder)trans-95.5116173.7-53.5175.8000106.8A27 G28I11-A27 HydrophobicContact CG2-CB 4.14Å; I11-A27 PolarHBondContact O-N 2.96Å; I11-G28 PolarHBondContact N-O 3.37Å; I11-G28 PolarHBondContact O-N 3.42Å
12T87.9Confident86.5Confident72 Ų7268.5 Ų68.544%0.44238%0.376SS..EExtended strand (participates in β ladder)trans-103.9139173.455.70000110V10 K25 I75V10-T12 HydrophobicContact CG1-CG2 4Å; T12-K25 CarbonylContact C-O 3.53Å; T12-K25 VanDerWaalsContact CA-O 3.29Å; T12-K25 WeakPolarHBondContact CA-O 3.38Å; T12-I75 HydrophobicContact CG2-CD1 3.82Å; T12-I75 HydrophobicContact CG2-CG1 4.15Å
13S89.3Confident86.9Confident51 Ų5167 Ų6736%0.35737%0.37SS..EExtended strand (participates in β ladder)trans-107.8137.2171.160.50000109.7A24 K25S13-A24 WeakPolarHBondContact O-CA 3.43Å; S13-K25 PolarHBondContact N-O 2.94Å; S13-K25 PolarHBondContact O-N 3.1Å
14L90.2Very high87.4Confident46 Ų4665.8 Ų65.824%0.24136%0.364CS..EExtended strand (participates in β ladder)trans-108.9131.3171-62.3-170.7000108.7L22 M23 A24 P137 F139 F148L14-L22 HydrophobicContact CB-CD1 4.1Å; L14-M23 WeakPolarHBondContact CA-O 3.22Å; L14-A24 HydrophobicContact CD2-CB 3.61Å; L14-P137 HydrophobicContact CB-CG 4.17Å; L14-F139 HydrophobicContact CB-CE2 4.37Å; L14-F139 HydrophobicContact CB-CZ 4.02Å; L14-F139 HydrophobicContact CD1-CZ 3.91Å; L14-F139 HydrophobicContact CG-CZ 4.11Å; L14-F148 HydrophobicContact CD1-CE1 4.15Å; L14-F148 HydrophobicContact CD1-CZ 3.92Å
15A91Very high87.8Confident39 Ų3968.3 Ų68.332%0.32237%0.374SS..EExtended strand (participates in β ladder)trans-138.7163.1178.800000110.6M23A15-M23 PolarHBondContact N-O 3.1Å; A15-M23 PolarHBondContact O-N 3.49Å
16A89.5Confident88.1Confident29 Ų2964.2 Ų64.224%0.2436%0.357CS..EExtended strand (participates in β ladder)trans-99.4136166.100000109.1L133A16-L133 HydrophobicContact CB-CB 3.98Å; A16-L133 HydrophobicContact CB-CD1 3.96Å
17N89.6Confident88.5Confident41 Ų4164.5 Ų64.522%0.21937%0.366CS..  trans-77.9178168.173.67.1000111.1H19 G20 I21 M23N17-H19 PolarHBondContact O-N 2.89Å; N17-H19 WeakPolarHBondContact OD1-CA 3.4Å; N17-H19 WeakPolarHBondContact OD1-CB 3.19Å; N17-H19 PolarHBondContact OD1-N 3.02Å; N17-G20 PolarHBondContact O-N 3.18Å; N17-G20 PolarHBondContact OD1-N 3.19Å; N17-I21 PolarHBondContact N-O 3.24Å; N17-I21 WeakPolarHBondContact OD1-CB 3.34Å; N17-I21 PolarHBondContact OD1-N 3.28Å; N17-M23 HydrophobicContact CB-CE 4.08Å; N17-M23 HydrophobicContact CB-CG 4.08Å; N17-M23 HydrophobicContact CB-SD 3.95Å
18Q87.3Confident88.7Confident175 Ų17559.1 Ų59.182%0.81835%0.347SS*.THydrogen-bonded Turntrans-58.6-14.4177.969.7-173.16.900114.9
19H87.9Confident89Confident97 Ų9758.7 Ų58.745%0.44934%0.337SS..THydrogen-bonded Turntrans-102.17.4177.5-56.4-60.2000112.5N17 I21 R132N17-H19 PolarHBondContact O-N 2.89Å; N17-H19 WeakPolarHBondContact OD1-CA 3.4Å; N17-H19 WeakPolarHBondContact OD1-CB 3.19Å; N17-H19 PolarHBondContact OD1-N 3.02Å; H19-I21 VanDerWaalsContact C-N 3.28Å; H19-I21 HydrophobicContact CB-CD1 4.19Å; H19-I21 HydrophobicContact CB-CG1 4.12Å; H19-I21 PolarHBondContact O-N 2.77Å; H19-R132 WeakPolarHBondContact O-CD 3.45Å
20G87.9Confident89Confident8 Ų857.9 Ų57.98%0.08233%0.333CS..SBendtrans71.220.9-176.400000113.5N17 L133N17-G20 PolarHBondContact O-N 3.18Å; N17-G20 PolarHBondContact OD1-N 3.19Å; G20-L133 VanDerWaalsContact CA-O 3.25Å; G20-L133 WeakPolarHBondContact CA-O 3.41Å; G20-L133 WeakPolarHBondContact O-CB 3.45Å; G20-L133 PolarHBondContact O-N 3.1Å
21I88.8Confident88.8Confident27 Ų2756 Ų5614%0.13832%0.32CS..  trans-91.7132.6178.2-53176.6000108.8N17 H19 M23 Q83 F86N17-I21 PolarHBondContact N-O 3.24Å; N17-I21 WeakPolarHBondContact OD1-CB 3.34Å; N17-I21 PolarHBondContact OD1-N 3.28Å; H19-I21 VanDerWaalsContact C-N 3.28Å; H19-I21 HydrophobicContact CB-CD1 4.19Å; H19-I21 HydrophobicContact CB-CG1 4.12Å; H19-I21 PolarHBondContact O-N 2.77Å; I21-M23 PolarHBondContact O-N 2.69Å; I21-Q83 HydrophobicContact CG2-CB 3.71Å; I21-Q83 HydrophobicContact CG2-CG 3.58Å; I21-F86 HydrophobicContact CG2-CB 4.29Å
22L88.8Confident88.4Confident8 Ų854.1 Ų54.14%0.04232%0.316CS..EExtended strand (participates in β ladder)trans-62.3127.8176.1-174.967.5000110.7L14 F82 F86 L133 P137 F148L14-L22 HydrophobicContact CB-CD1 4.1Å; L22-F82 HydrophobicContact CD2-CB 4.22Å; L22-F82 HydrophobicContact CD2-CD1 4.49Å; L22-F82 HydrophobicContact CD2-CG 4.21Å; L22-F86 HydrophobicContact CB-CD2 3.52Å; L22-F86 HydrophobicContact CB-CE1 4.36Å; L22-F86 HydrophobicContact CB-CE2 3.37Å; L22-F86 HydrophobicContact CB-CG 4.16Å; L22-F86 HydrophobicContact CB-CZ 3.82Å; L22-F86 HydrophobicContact CD2-CD2 4.45Å; L22-F86 HydrophobicContact CD2-CE2 3.51Å; L22-F86 HydrophobicContact CD2-CZ 3.82Å; L22-F86 HydrophobicContact CG-CE2 4.06Å; L22-F86 HydrophobicContact CG-CZ 4.37Å; L22-L133 HydrophobicContact CB-CD1 3.84Å; L22-L133 HydrophobicContact CD1-CD1 3.82Å; L22-L133 HydrophobicContact CG-CD1 4.44Å; L22-P137 HydrophobicContact CD1-CG 3.72Å; L22-F148 HydrophobicContact CD1-CE1 4.05Å; L22-F148 HydrophobicContact CD2-CE1 4.13Å
23M88.6Confident88Confident55 Ų5551 Ų5127%0.27130%0.297SS..EExtended strand (participates in β ladder)trans-117.6133.4171.5-59.7-146.9-58.600109.4L14 A15 N17 I21L14-M23 WeakPolarHBondContact CA-O 3.22Å; A15-M23 PolarHBondContact N-O 3.1Å; A15-M23 PolarHBondContact O-N 3.49Å; N17-M23 HydrophobicContact CB-CE 4.08Å; N17-M23 HydrophobicContact CB-CG 4.08Å; N17-M23 HydrophobicContact CB-SD 3.95Å; I21-M23 PolarHBondContact O-N 2.69Å
24A88.9Confident87.5Confident14 Ų1450.2 Ų50.212%0.11630%0.298CS..EExtended strand (participates in β ladder)trans-110.4135.117200000109.1S13 L14 I75S13-A24 WeakPolarHBondContact O-CA 3.43Å; L14-A24 HydrophobicContact CD2-CB 3.61Å; A24-I75 HydrophobicContact CB-CG2 3.77Å
25K89.4Confident87.1Confident119 Ų11952.6 Ų52.652%0.51731%0.306SS..EExtended strand (participates in β ladder)trans-137.2154176.5-63.9-176.8-179.9-1790110T12 S13T12-K25 CarbonylContact C-O 3.53Å; T12-K25 VanDerWaalsContact CA-O 3.29Å; T12-K25 WeakPolarHBondContact CA-O 3.38Å; S13-K25 PolarHBondContact N-O 2.94Å; S13-K25 PolarHBondContact O-N 3.1Å
26V89.4Confident86.6Confident33 Ų3350.8 Ų50.820%0.229%0.291CS..EExtended strand (participates in β ladder)trans-83.5115.7167.8-178.90000107.4V10 G28 C29 V71 N72 I75V10-V26 HydrophobicContact CG1-CG1 4.27Å; V26-G28 WeakPolarHBondContact CG1-O 3.12Å; V26-C29 HydrophobicContact CG1-CB 3.94Å; V26-V71 HydrophobicContact CG2-CG1 3.93Å; V26-N72 HydrophobicContact CG2-CB 4.13Å; V26-I75 HydrophobicContact CG2-CB 4.12Å; V26-I75 HydrophobicContact CG2-CG1 3.89Å; V26-I75 HydrophobicContact CG2-CG2 4.39Å
27A89.5Confident86.2Confident70 Ų7052.4 Ų52.458%0.57929%0.293SS*.EExtended strand (participates in β ladder)trans-89.1-26.1177.100000112I11I11-A27 HydrophobicContact CG2-CB 4.14Å; I11-A27 PolarHBondContact O-N 2.96Å
28G90.8Very high85.9Confident23 Ų2351.8 Ų51.824%0.23729%0.289CS..EExtended strand (participates in β ladder)trans-158.2145175.500000110.3I11 V26I11-G28 PolarHBondContact N-O 3.37Å; I11-G28 PolarHBondContact O-N 3.42Å; V26-G28 WeakPolarHBondContact CG1-O 3.12Å
29C89.8Confident85.8Confident32 Ų3245.4 Ų45.422%0.21626%0.262CS..EExtended strand (participates in β ladder)trans-146.2115.6174.61770000107.4N9 V26 C68N9-C29 WeakPolarHBondContact O-CA 3.37Å; V26-C29 HydrophobicContact CG1-CB 3.94Å; C29-C68 HydrophobicContact CB-CB 3.72Å; C29-C68 WeakPolarHBondContact CB-SG 3.18Å; C29-C68 WeakPolarHBondContact SG-CA 3.43Å; C29-C68 WeakPolarHBondContact SG-CB 3.32Å; C29-C68 CovalentContact SG-SG 2.03Å; C29-C68 PolarHBondContact SG-SG 2.89Å
30D87.3Confident85.6Confident105 Ų10546.1 Ų46.156%0.56126%0.261SS*.EExtended strand (participates in β ladder)trans-134.4131.6-179.6-171.514.1000109.4G8 N9G8-D30 CarbonylContact C-O 3.43Å; G8-D30 WeakPolarHBondContact CA-O 3.49Å; N9-D30 PolarHBondContact N-O 3.41Å; N9-D30 PolarHBondContact O-N 3.16Å
31L83.1Confident85.3Confident27 Ų2751.8 Ų51.814%0.14130%0.295CS..EExtended strand (participates in β ladder)trans-128.1128.8-177.4-74148.5000109.5V6 Q7 N64 I67V6-L31 HydrophobicContact CG1-CD2 3.95Å; Q7-L31 CarbonylContact O-C 3.53Å; Q7-L31 WeakPolarHBondContact O-CA 3.33Å; L31-N64 HydrophobicContact CB-CB 4.37Å; L31-N64 WeakPolarHBondContact CB-OD1 3.38Å; L31-N64 WeakPolarHBondContact CD1-OD1 3.36Å; L31-N64 PolarHBondContact N-OD1 2.94Å; L31-I67 HydrophobicContact CD1-CB 3.44Å; L31-I67 VanDerWaalsContact CD1-CB 3.44Å; L31-I67 HydrophobicContact CD1-CD1 3.9Å; L31-I67 HydrophobicContact CD1-CG1 4.22Å; L31-I67 HydrophobicContact CD1-CG2 3.48Å; L31-I67 VanDerWaalsContact CD1-CG2 3.48Å; L31-I67 HydrophobicContact CD2-CD1 4.33Å; L31-I67 HydrophobicContact CD2-CG2 4.46Å
32S81.9Confident85Confident65 Ų6552.7 Ų52.746%0.45530%0.303SS..EExtended strand (participates in β ladder)trans-104.5128.4169.7670000110.1V6 Q7V6-S32 WeakPolarHBondContact CA-O 3.04Å; Q7-S32 PolarHBondContact N-O 3.49Å; Q7-S32 PolarHBondContact O-N 2.82Å
33V78.5Confident84.7Confident6 Ų659 Ų594%0.03634%0.342CS..EExtended strand (participates in β ladder)trans-100.1118.1168.9176.50000107.8V3 V6 V36 K60V3-V33 HydrophobicContact CG1-CB 4.38Å; V3-V33 HydrophobicContact CG1-CG1 3.41Å; V3-V33 VanDerWaalsContact CG1-CG1 3.41Å; V3-V33 HydrophobicContact CG1-CG2 4.08Å; V6-V33 HydrophobicContact CG2-CG2 4.4Å; V33-V36 HydrophobicContact CG1-CG2 3.93Å; V33-K60 HydrophobicContact CB-CD 4.44Å; V33-K60 HydrophobicContact CB-CG 3.79Å; V33-K60 HydrophobicContact CG2-CG 4.01Å; V33-K60 WeakPolarHBondContact O-CE 3.44Å; V33-K60 PolarHBondContact O-NZ 3.01Å
34G79Confident84.4Confident36 Ų3663.7 Ų63.737%0.37137%0.369SS..EExtended strand (participates in β ladder)trans-72.5-45.8179.400000113.5Q4 Q5Q4-G34 PolarHBondContact O-N 3.48Å; Q5-G34 PolarHBondContact O-N 2.84Å; Q5-G34 VanDerWaalsContact O-N 3.1Å
35K81.5Confident84.3Confident95 Ų9564.8 Ų64.841%0.41338%0.381SS..EExtended strand (participates in β ladder)trans-144.2145-177.2-66.5-176.8-176.1179.40113.1Q4Q4-K35 HydrophobicContact CB-CB 4.29Å; Q4-K35 PolarHBondContact N-O 2.95Å; Q4-K35 PolarHBondContact O-N 3.31Å; Q4-K35 VanDerWaalsContact O-N 3.14Å
36V80.1Confident84.2Confident1 Ų166.6 Ų66.61%0.00639%0.389CS..EExtended strand (participates in β ladder)trans-120.1122.5171.6173.70000109.5M1 V33 I38 N51 P52 E56 M59M1-V36 HydrophobicContact CE-CG1 3.23Å; V33-V36 HydrophobicContact CG1-CG2 3.93Å; V36-I38 HydrophobicContact CG1-CG1 4.35Å; V36-N51 PolarHBondContact O-N 3.1Å; V36-N51 VanDerWaalsContact O-N 3.1Å; V36-P52 HydrophobicContact CG1-CG 4.38Å; V36-P52 WeakPolarHBondContact O-CD 3.38Å; V36-E56 HydrophobicContact CB-CB 4.25Å; V36-E56 HydrophobicContact CB-CG 4.22Å; V36-E56 HydrophobicContact CG2-CB 4.16Å; V36-E56 HydrophobicContact CG2-CG 3.81Å; V36-M59 HydrophobicContact CG1-SD 4.35Å
37K82Confident83.8Confident64 Ų6467.6 Ų67.628%0.27840%0.395SS..EExtended strand (participates in β ladder)trans-115.1116.8178.1177.9179.5174-168.10109.6M1 E2 T48 L50M1-K37 CarbonylContact C-O 3.52Å; M1-K37 WeakPolarHBondContact CA-O 3.44Å; E2-K37 HydrophobicContact CB-CB 4.31Å; E2-K37 PolarHBondContact N-O 3.18Å; E2-K37 PolarHBondContact O-N 2.84Å; E2-K37 IonicContact OE2-NZ 3.78Å; K37-T48 HydrophobicContact CD-CG2 4.23Å; K37-T48 HydrophobicContact CG-CG2 3.77Å; K37-L50 HydrophobicContact CB-CD2 4.44Å; K37-L50 HydrophobicContact CD-CD2 4.36Å; K37-L50 HydrophobicContact CG-CD2 4.06Å
38I83.7Confident83.4Confident27 Ų2767.3 Ų67.314%0.13839%0.386CS..EExtended strand (participates in β ladder)trans-99.9126.9173.2-54-179000107.5M1 V36 Y40 T48 I49 P52 I55M1-I38 HydrophobicContact CE-CD1 3.84Å; M1-I38 HydrophobicContact CE-CG1 3.74Å; M1-I38 HydrophobicContact CG-CG1 4.02Å; M1-I38 HydrophobicContact SD-CD1 4.27Å; M1-I38 HydrophobicContact SD-CG1 4.02Å; V36-I38 HydrophobicContact CG1-CG1 4.35Å; I38-Y40 HydrophobicContact CG2-CD1 4.44Å; I38-T48 CarbonylContact O-C 3.57Å; I38-T48 VanDerWaalsContact O-CA 3.32Å; I38-T48 WeakPolarHBondContact O-CA 3.01Å; I38-I49 HydrophobicContact CB-CB 4.31Å; I38-I49 PolarHBondContact N-O 3.14Å; I38-I49 PolarHBondContact O-N 2.92Å; I38-P52 HydrophobicContact CD1-CB 4.38Å; I38-P52 HydrophobicContact CD1-CG 3.56Å; I38-P52 HydrophobicContact CG1-CG 3.96Å; I38-I55 HydrophobicContact CD1-CB 4.39Å; I38-I55 HydrophobicContact CD1-CD1 3.6Å; I38-I55 HydrophobicContact CD1-CG2 3.93Å
39T84.7Confident82.8Confident41 Ų4169.4 Ų69.425%0.25239%0.391SS..EExtended strand (participates in β ladder)trans-128.6121.7176.6-49.80000107.4K46 V47T39-K46 HydrophobicContact CG2-CD 4.03Å; T39-K46 HydrophobicContact CG2-CG 3.73Å; T39-V47 WeakPolarHBondContact CA-O 3.06Å
40Y84.1Confident82.2Confident112 Ų11273.8 Ų73.844%0.43941%0.412SS..EExtended strand (participates in β ladder)trans-131.9150.1176.165.3-86.4000109.9I38 V47 I49I38-Y40 HydrophobicContact CG2-CD1 4.44Å; Y40-V47 HydrophobicContact CD1-CB 4.33Å; Y40-V47 HydrophobicContact CD2-CB 4.4Å; Y40-V47 HydrophobicContact CE1-CB 3.78Å; Y40-V47 HydrophobicContact CE1-CG1 3.75Å; Y40-V47 HydrophobicContact CE2-CB 3.87Å; Y40-V47 HydrophobicContact CE2-CG1 4.46Å; Y40-V47 HydrophobicContact CE2-CG2 4.11Å; Y40-V47 PolarHBondContact N-O 3.35Å; Y40-V47 PolarHBondContact O-N 2.76Å; Y40-V47 WeakPolarHBondContact OH-CG1 3.38Å; Y40-I49 HydrophobicContact CE1-CD1 3.83Å; Y40-I49 HydrophobicContact CE1-CG1 4.14Å
41T82.1Confident81.4Confident128 Ų12872.4 Ų72.479%0.78541%0.405SS*.EExtended strand (participates in β ladder)trans-96.7118.5178.2-28.70000107.7
42S82.9Confident81.1Confident45 Ų4572.1 Ų72.132%0.31540%0.404SS..EExtended strand (participates in β ladder)trans-100.4164.1174.3160.10000109.5N44 G45S42-N44 PolarHBondContact O-N 2.78Å; S42-N44 VanDerWaalsContact O-N 3.12Å; S42-N44 PolarHBondContact OG-N 2.8Å; S42-N44 VanDerWaalsContact OG-N 3.16Å; S42-G45 WeakPolarHBondContact CA-O 3.42Å; S42-G45 WeakPolarHBondContact CB-O 3.43Å; S42-G45 PolarHBondContact N-O 2.91Å; S42-G45 PolarHBondContact O-N 2.96Å
43T82.4Confident80.9Confident141 Ų14174.3 Ų74.387%0.86542%0.415SS*.THydrogen-bonded Turntrans-54-25.6168.751.10000112.4
44N82Confident80.8Confident154 Ų15484 Ų8482%0.82445%0.451SS*.THydrogen-bonded Turntrans-100.213.5-178-58-4.3000112.9S42S42-N44 PolarHBondContact O-N 2.78Å; S42-N44 VanDerWaalsContact O-N 3.12Å; S42-N44 PolarHBondContact OG-N 2.8Å; S42-N44 VanDerWaalsContact OG-N 3.16Å
45G86.2Confident80.6Confident36 Ų3686.2 Ų86.237%0.37145%0.454SS..EExtended strand (participates in β ladder)trans114.1-169.1178.600000114.3S42S42-G45 WeakPolarHBondContact CA-O 3.42Å; S42-G45 WeakPolarHBondContact CB-O 3.43Å; S42-G45 PolarHBondContact N-O 2.91Å; S42-G45 PolarHBondContact O-N 2.96Å
46K86.8Confident80.3Confident157 Ų15782.8 Ų82.868%0.68344%0.439SS*.EExtended strand (participates in β ladder)trans-89.4113.9-173.9-172.5175.6177.6178.20110.4T39T39-K46 HydrophobicContact CG2-CD 4.03Å; T39-K46 HydrophobicContact CG2-CG 3.73Å
47V81.1Confident80.3Confident55 Ų5591.6 Ų91.633%0.33347%0.472SS..EExtended strand (participates in β ladder)trans-97.7132.2177-176.80000109.2T39 Y40T39-V47 WeakPolarHBondContact CA-O 3.06Å; Y40-V47 HydrophobicContact CD1-CB 4.33Å; Y40-V47 HydrophobicContact CD2-CB 4.4Å; Y40-V47 HydrophobicContact CE1-CB 3.78Å; Y40-V47 HydrophobicContact CE1-CG1 3.75Å; Y40-V47 HydrophobicContact CE2-CB 3.87Å; Y40-V47 HydrophobicContact CE2-CG1 4.46Å; Y40-V47 HydrophobicContact CE2-CG2 4.11Å; Y40-V47 PolarHBondContact N-O 3.35Å; Y40-V47 PolarHBondContact O-N 2.76Å; Y40-V47 WeakPolarHBondContact OH-CG1 3.38Å
48T81.6Confident80.3Confident64 Ų6497.5 Ų97.539%0.39349%0.492SS..EExtended strand (participates in β ladder)trans-117.9118.8175.2-56.50000109.2K37 I38 L50K37-T48 HydrophobicContact CD-CG2 4.23Å; K37-T48 HydrophobicContact CG-CG2 3.77Å; I38-T48 CarbonylContact O-C 3.57Å; I38-T48 VanDerWaalsContact O-CA 3.32Å; I38-T48 WeakPolarHBondContact O-CA 3.01Å; T48-L50 HydrophobicContact CG2-CD2 4.01Å; T48-L50 HydrophobicContact CG2-CG 4.33Å
49I78.9Confident80Confident66 Ų6698.8 Ų98.834%0.33850%0.499SS..EExtended strand (participates in β ladder)trans-98.3120.1171.6-54.4173.5000107.4I38 Y40 P52I38-I49 HydrophobicContact CB-CB 4.31Å; I38-I49 PolarHBondContact N-O 3.14Å; I38-I49 PolarHBondContact O-N 2.92Å; Y40-I49 HydrophobicContact CE1-CD1 3.83Å; Y40-I49 HydrophobicContact CE1-CG1 4.14Å; I49-P52 HydrophobicContact CG2-CB 3.86Å; I49-P52 HydrophobicContact CG2-CG 4.16Å
50L75.5Confident79.7Confident124 Ų124100 Ų10065%0.64950%0.5SS*.EExtended strand (participates in β ladder)trans-98.1133.4176.1-63.1173.6000109.2K37 T48K37-L50 HydrophobicContact CB-CD2 4.44Å; K37-L50 HydrophobicContact CD-CD2 4.36Å; K37-L50 HydrophobicContact CG-CD2 4.06Å; T48-L50 HydrophobicContact CG2-CD2 4.01Å; T48-L50 HydrophobicContact CG2-CG 4.33Å
51N72Confident79.5Confident77 Ų7799.4 Ų99.441%0.41251%0.505SS..  trans4955.9176-57.5-16.8000114.7V36 T53V36-N51 PolarHBondContact O-N 3.1Å; V36-N51 VanDerWaalsContact O-N 3.1Å; N51-T53 VanDerWaalsContact C-N 3.27Å; N51-T53 PolarHBondContact O-N 3.45Å
52P76.9Confident79.6Confident21 Ų2195.9 Ų95.914%0.13649%0.486CS..  trans-69.786.6173.728.3-30.4000109.7V36 I38 I49 R54 I55 E56V36-P52 HydrophobicContact CG1-CG 4.38Å; V36-P52 WeakPolarHBondContact O-CD 3.38Å; I38-P52 HydrophobicContact CD1-CB 4.38Å; I38-P52 HydrophobicContact CD1-CG 3.56Å; I38-P52 HydrophobicContact CG1-CG 3.96Å; I49-P52 HydrophobicContact CG2-CB 3.86Å; I49-P52 HydrophobicContact CG2-CG 4.16Å; P52-R54 VanDerWaalsContact C-N 3.27Å; P52-R54 PolarHBondContact O-N 2.78Å; P52-I55 HydrophobicContact CB-CB 4.14Å; P52-I55 HydrophobicContact CB-CD1 4.11Å; P52-I55 HydrophobicContact CB-CG1 4.36Å; P52-I55 HydrophobicContact CG-CB 4.1Å; P52-I55 HydrophobicContact CG-CD1 4.42Å; P52-I55 CarbonylContact O-C 3.57Å; P52-I55 WeakPolarHBondContact O-CA 3.4Å; P52-I55 PolarHBondContact O-N 2.03Å; P52-E56 WeakPolarHBondContact O-CB 3.06Å; P52-E56 PolarHBondContact O-N 3.4Å
53T76.8Confident79.5Confident111 Ų11195 Ų9568%0.68148%0.477SS*.Hα-helixtrans-45.7-41.8-168.144.10000115N51 R57N51-T53 VanDerWaalsContact C-N 3.27Å; N51-T53 PolarHBondContact O-N 3.45Å; T53-R57 WeakPolarHBondContact O-CB 3.29Å; T53-R57 PolarHBondContact O-N 2.82Å
54R76.5Confident79.6Confident210 Ų21090.3 Ų90.379%0.79245%0.447SS*.Hα-helixtrans-70.7-38.7179.6-150.4177.2-174.9179.31.9112.8P52 R58P52-R54 VanDerWaalsContact C-N 3.27Å; P52-R54 PolarHBondContact O-N 2.78Å; R54-R58 PolarHBondContact O-N 3.48Å
55I75.5Confident79.7Confident82 Ų8289.1 Ų89.142%0.42144%0.436SS..Hα-helixtrans-74.2-40.3175.4-60174.2000109.7M1 I38 P52 R57 R58 M59M1-I55 HydrophobicContact CE-CG2 3.59Å; I38-I55 HydrophobicContact CD1-CB 4.39Å; I38-I55 HydrophobicContact CD1-CD1 3.6Å; I38-I55 HydrophobicContact CD1-CG2 3.93Å; P52-I55 HydrophobicContact CB-CB 4.14Å; P52-I55 HydrophobicContact CB-CD1 4.11Å; P52-I55 HydrophobicContact CB-CG1 4.36Å; P52-I55 HydrophobicContact CG-CB 4.1Å; P52-I55 HydrophobicContact CG-CD1 4.42Å; P52-I55 CarbonylContact O-C 3.57Å; P52-I55 WeakPolarHBondContact O-CA 3.4Å; P52-I55 PolarHBondContact O-N 2.03Å; I55-R57 PolarHBondContact O-N 2.9Å; I55-R58 PolarHBondContact O-N 2.79Å; I55-M59 VanDerWaalsContact O-CB 3.32Å; I55-M59 WeakPolarHBondContact O-CB 2.96Å; I55-M59 PolarHBondContact O-N 3.46Å
56E75.4Confident79.6Confident22 Ų2292 Ų9210%0.10344%0.436CS..Hα-helixtrans-59-45.6177.3179.1-179.5161.600111.6V36 P52 M59 K60V36-E56 HydrophobicContact CB-CB 4.25Å; V36-E56 HydrophobicContact CB-CG 4.22Å; V36-E56 HydrophobicContact CG2-CB 4.16Å; V36-E56 HydrophobicContact CG2-CG 3.81Å; P52-E56 WeakPolarHBondContact O-CB 3.06Å; P52-E56 PolarHBondContact O-N 3.4Å; E56-M59 PolarHBondContact O-N 2.86Å; E56-K60 HydrophobicContact CG-CD 4.3Å; E56-K60 WeakPolarHBondContact O-CG 3.28Å; E56-K60 PolarHBondContact O-N 3.41Å; E56-K60 WeakPolarHBondContact OE1-CE 3.39Å; E56-K60 IonicContact OE1-NZ 2.69Å; E56-K60 PolarHBondContact OE1-NZ 3.43Å
57R79.9Confident79.4Confident187 Ų18785.3 Ų85.371%0.70641%0.408SS*.Hα-helixtrans-62-49.7177.9-160.8179.6-156.6156.94.9112T53 I55 M59 K60 D61T53-R57 WeakPolarHBondContact O-CB 3.29Å; T53-R57 PolarHBondContact O-N 2.82Å; I55-R57 PolarHBondContact O-N 2.9Å; R57-M59 VanDerWaalsContact C-N 3.28Å; R57-M59 PolarHBondContact O-N 2.87Å; R57-K60 WeakPolarHBondContact O-CB 3.37Å; R57-K60 PolarHBondContact O-N 3.12Å; R57-K60 VanDerWaalsContact O-N 3.16Å; R57-D61 PolarHBondContact O-N 2.83Å; R57-D61 VanDerWaalsContact O-N 3.1Å
58R80.6Confident79.7Confident187 Ų18783.8 Ų83.871%0.70640%0.4SS*.Hα-helixtrans-60.9-39175.7-78.8-171.1175.4175.8-1.6112.3R54 I55 D61 S62R54-R58 PolarHBondContact O-N 3.48Å; I55-R58 PolarHBondContact O-N 2.79Å; R58-D61 PolarHBondContact O-N 2.9Å; R58-S62 WeakPolarHBondContact O-CB 3.37Å; R58-S62 PolarHBondContact O-N 3.47Å; R58-S62 PolarHBondContact O-OG 3.22Å
59M77.9Confident79.9Confident54 Ų5485.1 Ų85.127%0.26640%0.404SS..Hα-helixtrans-64.4-41.9175.5-97.8-142.615700112.4M1 V3 V36 I55 E56 R57 S62 I63M1-M59 HydrophobicContact CE-CE 3.35Å; M1-M59 HydrophobicContact CE-CG 3.72Å; M1-M59 HydrophobicContact CE-SD 3.04Å; M1-M59 WeakPolarHBondContact CE-SD 3.01Å; M1-M59 HydrophobicContact CG-CE 3.99Å; M1-M59 HydrophobicContact CG-SD 4.38Å; M1-M59 HydrophobicContact SD-CE 3.2Å; M1-M59 WeakPolarHBondContact SD-CE 3.47Å; M1-M59 HydrophobicContact SD-SD 3.8Å; V3-M59 HydrophobicContact CG2-SD 3.97Å; V36-M59 HydrophobicContact CG1-SD 4.35Å; I55-M59 VanDerWaalsContact O-CB 3.32Å; I55-M59 WeakPolarHBondContact O-CB 2.96Å; I55-M59 PolarHBondContact O-N 3.46Å; E56-M59 PolarHBondContact O-N 2.86Å; R57-M59 VanDerWaalsContact C-N 3.28Å; R57-M59 PolarHBondContact O-N 2.87Å; M59-S62 PolarHBondContact O-N 3.47Å; M59-I63 HydrophobicContact CB-CD1 4.27Å; M59-I63 WeakPolarHBondContact O-CB 3.24Å; M59-I63 WeakPolarHBondContact O-CD1 3.22Å; M59-I63 WeakPolarHBondContact O-CG1 3.21Å; M59-I63 PolarHBondContact O-N 2.81Å; M59-I63 HydrophobicContact SD-CD1 4.05Å
60K77.8Confident80.1Confident66 Ų6683.2 Ų83.229%0.28740%0.395SS..Hα-helixtrans-57-51.4176.1-79.2172.5-175.6-177.40110.4V33 E56 R57 I63 N64V33-K60 HydrophobicContact CB-CD 4.44Å; V33-K60 HydrophobicContact CB-CG 3.79Å; V33-K60 HydrophobicContact CG2-CG 4.01Å; V33-K60 WeakPolarHBondContact O-CE 3.44Å; V33-K60 PolarHBondContact O-NZ 3.01Å; E56-K60 HydrophobicContact CG-CD 4.3Å; E56-K60 WeakPolarHBondContact O-CG 3.28Å; E56-K60 PolarHBondContact O-N 3.41Å; E56-K60 WeakPolarHBondContact OE1-CE 3.39Å; E56-K60 IonicContact OE1-NZ 2.69Å; E56-K60 PolarHBondContact OE1-NZ 3.43Å; R57-K60 WeakPolarHBondContact O-CB 3.37Å; R57-K60 PolarHBondContact O-N 3.12Å; R57-K60 VanDerWaalsContact O-N 3.16Å; K60-I63 PolarHBondContact O-N 2.76Å; K60-N64 VanDerWaalsContact O-CB 3.22Å; K60-N64 WeakPolarHBondContact O-CB 3.43Å; K60-N64 PolarHBondContact O-N 2.92Å
61D80.7Confident80.6Confident101 Ų10177.9 Ų77.954%0.5437%0.367SS..Hα-helixtrans-60.8-49.9-178.5-59.6-22.5000110.8R57 R58 N64 E65R57-D61 PolarHBondContact O-N 2.83Å; R57-D61 VanDerWaalsContact O-N 3.1Å; R58-D61 PolarHBondContact O-N 2.9Å; D61-N64 PolarHBondContact O-N 2.94Å; D61-E65 WeakPolarHBondContact O-CB 3.2Å; D61-E65 PolarHBondContact O-N 2.82Å
62S84.1Confident81.2Confident54 Ų5478 Ų7838%0.37837%0.368SS..Hα-helixtrans-65.5-41.7179.3-62.10000113.3R58 M59 Y66R58-S62 WeakPolarHBondContact O-CB 3.37Å; R58-S62 PolarHBondContact O-N 3.47Å; R58-S62 PolarHBondContact O-OG 3.22Å; M59-S62 PolarHBondContact O-N 3.47Å; S62-Y66 WeakPolarHBondContact O-CB 3.39Å; S62-Y66 WeakPolarHBondContact O-CD2 3.32Å; S62-Y66 PolarHBondContact O-N 3.44Å
63I81.8Confident81.6Confident27 Ų2778.5 Ų78.514%0.13837%0.37CS..Hα-helixtrans-66.2-43179-71168000110.2V3 M59 K60 Y66 I67V3-I63 HydrophobicContact CG1-CD1 4.07Å; V3-I63 HydrophobicContact CG2-CD1 3.83Å; M59-I63 HydrophobicContact CB-CD1 4.27Å; M59-I63 WeakPolarHBondContact O-CB 3.24Å; M59-I63 WeakPolarHBondContact O-CD1 3.22Å; M59-I63 WeakPolarHBondContact O-CG1 3.21Å; M59-I63 PolarHBondContact O-N 2.81Å; M59-I63 HydrophobicContact SD-CD1 4.05Å; K60-I63 PolarHBondContact O-N 2.76Å; I63-Y66 PolarHBondContact O-N 3.04Å; I63-I67 HydrophobicContact CG2-CD1 3.48Å; I63-I67 VanDerWaalsContact CG2-CD1 3.48Å; I63-I67 HydrophobicContact CG2-CG1 4.17Å; I63-I67 WeakPolarHBondContact O-CB 3.42Å; I63-I67 VanDerWaalsContact O-CG1 3.28Å; I63-I67 WeakPolarHBondContact O-CG1 3.24Å; I63-I67 PolarHBondContact O-N 3.16Å
64N82.6Confident81.9Confident42 Ų4274.6 Ų74.623%0.22535%0.347CS..Hα-helixtrans-61.3-49.1177.8-16422.7000110.1L31 K60 D61 Y66 I67 C68L31-N64 HydrophobicContact CB-CB 4.37Å; L31-N64 WeakPolarHBondContact CB-OD1 3.38Å; L31-N64 WeakPolarHBondContact CD1-OD1 3.36Å; L31-N64 PolarHBondContact N-OD1 2.94Å; K60-N64 VanDerWaalsContact O-CB 3.22Å; K60-N64 WeakPolarHBondContact O-CB 3.43Å; K60-N64 PolarHBondContact O-N 2.92Å; D61-N64 PolarHBondContact O-N 2.94Å; N64-Y66 PolarHBondContact O-N 2.74Å; N64-I67 PolarHBondContact O-N 3.06Å; N64-C68 WeakPolarHBondContact O-CB 3.24Å; N64-C68 PolarHBondContact O-N 3.34Å; N64-C68 PolarHBondContact O-SG 2.95Å; N64-C68 PolarHBondContact OD1-SG 2.92Å
65E85.3Confident82.2Confident128 Ų12865.8 Ų65.860%0.59832%0.315SS*.Hα-helixtrans-56.3-51.8175.7-172.1177.7-170.700111.8D61 I67 C68 D69D61-E65 WeakPolarHBondContact O-CB 3.2Å; D61-E65 PolarHBondContact O-N 2.82Å; E65-I67 PolarHBondContact O-N 3.12Å; E65-C68 PolarHBondContact O-N 3.21Å; E65-D69 WeakPolarHBondContact O-CB 3.49Å; E65-D69 PolarHBondContact O-N 3.38Å
66Y84.5Confident82.6Confident96 Ų9669.2 Ų69.238%0.37632%0.323SS..Hα-helixtrans-62.7-44.9-179.5-79.6-56.1000113.4S62 I63 N64 D70S62-Y66 WeakPolarHBondContact O-CB 3.39Å; S62-Y66 WeakPolarHBondContact O-CD2 3.32Å; S62-Y66 PolarHBondContact O-N 3.44Å; I63-Y66 PolarHBondContact O-N 3.04Å; N64-Y66 PolarHBondContact O-N 2.74Å; Y66-D70 WeakPolarHBondContact O-CB 3.36Å; Y66-D70 PolarHBondContact O-N 2.8Å
67I82.5Confident82.8Confident18 Ų1870.2 Ų70.29%0.09233%0.328CS..Hα-helixtrans-69.5-42.2-179.3-65.8174.5000109.7L31 I63 N64 E65 D69 D70 V71 Y417L31-I67 HydrophobicContact CD1-CB 3.44Å; L31-I67 VanDerWaalsContact CD1-CB 3.44Å; L31-I67 HydrophobicContact CD1-CD1 3.9Å; L31-I67 HydrophobicContact CD1-CG1 4.22Å; L31-I67 HydrophobicContact CD1-CG2 3.48Å; L31-I67 VanDerWaalsContact CD1-CG2 3.48Å; L31-I67 HydrophobicContact CD2-CD1 4.33Å; L31-I67 HydrophobicContact CD2-CG2 4.46Å; I63-I67 HydrophobicContact CG2-CD1 3.48Å; I63-I67 VanDerWaalsContact CG2-CD1 3.48Å; I63-I67 HydrophobicContact CG2-CG1 4.17Å; I63-I67 WeakPolarHBondContact O-CB 3.42Å; I63-I67 VanDerWaalsContact O-CG1 3.28Å; I63-I67 WeakPolarHBondContact O-CG1 3.24Å; I63-I67 PolarHBondContact O-N 3.16Å; N64-I67 PolarHBondContact O-N 3.06Å; E65-I67 PolarHBondContact O-N 3.12Å; I67-D69 VanDerWaalsContact C-N 3.33Å; I67-D69 PolarHBondContact O-N 3.24Å; I67-D70 PolarHBondContact O-N 2.85Å; I67-V71 HydrophobicContact CG2-CG2 4.05Å; I67-V71 WeakPolarHBondContact O-CB 3.47Å; I67-V71 WeakPolarHBondContact O-CG2 3.27Å; I67-V71 PolarHBondContact O-N 2.77Å; I67-Y417 HydrophobicContact CD1-CE1 4.21Å; I67-Y417 HydrophobicContact CG1-CE1 4.28Å
68C86.6Confident82.6Confident23 Ų2364.2 Ų64.216%0.15531%0.31CS..Hα-helixtrans-64.7-38.1178.6-65.80000112C29 N64 E65 V71 N72C29-C68 HydrophobicContact CB-CB 3.72Å; C29-C68 WeakPolarHBondContact CB-SG 3.18Å; C29-C68 WeakPolarHBondContact SG-CA 3.43Å; C29-C68 WeakPolarHBondContact SG-CB 3.32Å; C29-C68 CovalentContact SG-SG 2.03Å; C29-C68 PolarHBondContact SG-SG 2.89Å; N64-C68 WeakPolarHBondContact O-CB 3.24Å; N64-C68 PolarHBondContact O-N 3.34Å; N64-C68 PolarHBondContact O-SG 2.95Å; N64-C68 PolarHBondContact OD1-SG 2.92Å; E65-C68 PolarHBondContact O-N 3.21Å; C68-V71 PolarHBondContact O-N 3.16Å; C68-N72 VanDerWaalsContact O-CB 3.24Å; C68-N72 WeakPolarHBondContact O-CB 2.93Å; C68-N72 PolarHBondContact O-N 2.95Å
69D86.9Confident82.5Confident92 Ų9255.6 Ų55.649%0.49228%0.279SS..Hα-helixtrans-65-41.5171.8-92.41.6000112.7E65 I67 T73E65-D69 WeakPolarHBondContact O-CB 3.49Å; E65-D69 PolarHBondContact O-N 3.38Å; I67-D69 VanDerWaalsContact C-N 3.33Å; I67-D69 PolarHBondContact O-N 3.24Å; D69-T73 WeakPolarHBondContact O-CB 3Å; D69-T73 PolarHBondContact O-N 2.9Å; D69-T73 PolarHBondContact O-OG1 2.63Å
70D83.2Confident82.4Confident25 Ų2556.9 Ų56.913%0.13429%0.287CS..Hα-helixtrans-63.7-46.2175.6-78.3-19.7000111.3Y66 I67 T73 V74 K398 R402Y66-D70 WeakPolarHBondContact O-CB 3.36Å; Y66-D70 PolarHBondContact O-N 2.8Å; I67-D70 PolarHBondContact O-N 2.85Å; D70-T73 WeakPolarHBondContact O-CB 3.28Å; D70-T73 PolarHBondContact O-N 2.89Å; D70-V74 WeakPolarHBondContact O-CG2 3.37Å; D70-V74 PolarHBondContact O-N 2.76Å; D70-K398 WeakPolarHBondContact OD1-CE 3.39Å; D70-K398 IonicContact OD1-NZ 2.63Å; D70-K398 PolarHBondContact OD1-NZ 3.33Å; D70-R402 IonicContact OD1-NH2 3.46Å; D70-R402 PolarHBondContact OD1-NH2 2.89Å; D70-R402 IonicContact OD2-NH2 3.4Å; D70-R402 PolarHBondContact OD2-NH2 3.44Å
71V84.3Confident82.2Confident13 Ų1356.4 Ų56.48%0.07929%0.293CS..Hα-helixtrans-61-48.3175.4170.30000110.8V10 V26 I67 C68 T73 V74 I75 F419V10-V71 HydrophobicContact CB-CG1 4.47Å; V10-V71 HydrophobicContact CG1-CG1 3.56Å; V10-V71 HydrophobicContact CG2-CG1 4.09Å; V10-V71 HydrophobicContact CG2-CG2 4.35Å; V26-V71 HydrophobicContact CG2-CG1 3.93Å; I67-V71 HydrophobicContact CG2-CG2 4.05Å; I67-V71 WeakPolarHBondContact O-CB 3.47Å; I67-V71 WeakPolarHBondContact O-CG2 3.27Å; I67-V71 PolarHBondContact O-N 2.77Å; C68-V71 PolarHBondContact O-N 3.16Å; V71-T73 VanDerWaalsContact C-N 3.25Å; V71-T73 PolarHBondContact O-N 3Å; V71-V74 PolarHBondContact O-N 2.77Å; V71-V74 VanDerWaalsContact O-N 3.14Å; V71-I75 HydrophobicContact CG1-CG1 4.26Å; V71-I75 WeakPolarHBondContact O-CB 3.4Å; V71-I75 WeakPolarHBondContact O-CG1 3.34Å; V71-I75 PolarHBondContact O-N 2.99Å; V71-F419 HydrophobicContact CG2-CE1 4.04Å; V71-F419 HydrophobicContact CG2-CZ 4.19Å
72N86.3Confident81.8Confident80 Ų8054.8 Ų54.843%0.42828%0.281SS..Hα-helixtrans-60.9-38.5178.8-165.321.3000111.3V26 C68 R76V26-N72 HydrophobicContact CG2-CB 4.13Å; C68-N72 VanDerWaalsContact O-CB 3.24Å; C68-N72 WeakPolarHBondContact O-CB 2.93Å; C68-N72 PolarHBondContact O-N 2.95Å; N72-R76 WeakPolarHBondContact O-CB 3.38Å; N72-R76 PolarHBondContact O-N 3.37Å
73T84.1Confident81.5Confident30 Ų3055 Ų5518%0.18428%0.276CS..Hα-helixtrans-64.7-45.7174.1-55.50000112.2D69 D70 V71 R76 L77 K398D69-T73 WeakPolarHBondContact O-CB 3Å; D69-T73 PolarHBondContact O-N 2.9Å; D69-T73 PolarHBondContact O-OG1 2.63Å; D70-T73 WeakPolarHBondContact O-CB 3.28Å; D70-T73 PolarHBondContact O-N 2.89Å; V71-T73 VanDerWaalsContact C-N 3.25Å; V71-T73 PolarHBondContact O-N 3Å; T73-R76 PolarHBondContact O-N 2.88Å; T73-L77 HydrophobicContact CG2-CD1 3.87Å; T73-L77 HydrophobicContact CG2-CG 4.42Å; T73-L77 VanDerWaalsContact O-CG 3.31Å; T73-L77 WeakPolarHBondContact O-CG 3.25Å; T73-L77 PolarHBondContact O-N 2.93Å; T73-K398 VanDerWaalsContact CB-NZ 3.34Å; T73-K398 HydrophobicContact CG2-CD 3.68Å; T73-K398 HydrophobicContact CG2-CG 4.36Å; T73-K398 PolarHBondContact OG1-NZ 3.27Å
74V82.4Confident81.1Confident30 Ų3056.7 Ų56.718%0.18229%0.29CS..Hα-helixtrans-62.5-45.2178.3169.80000110.4D70 V71 R76 L77 L78D70-V74 WeakPolarHBondContact O-CG2 3.37Å; D70-V74 PolarHBondContact O-N 2.76Å; V71-V74 PolarHBondContact O-N 2.77Å; V71-V74 VanDerWaalsContact O-N 3.14Å; V74-R76 VanDerWaalsContact C-N 3.31Å; V74-R76 PolarHBondContact O-N 2.92Å; V74-L77 PolarHBondContact O-N 3.23Å; V74-L78 HydrophobicContact CG1-CD1 3.92Å; V74-L78 HydrophobicContact CG1-CG 4.36Å; V74-L78 WeakPolarHBondContact O-CB 3.44Å; V74-L78 WeakPolarHBondContact O-CG 3.32Å; V74-L78 PolarHBondContact O-N 3.46Å
75I84.4Confident80.7Confident25 Ų2559.2 Ų59.213%0.12830%0.301CS..Hα-helixtrans-62.2-39176.5-67.1-62.8000111.2T12 A24 V26 V71 L78 G79T12-I75 HydrophobicContact CG2-CD1 3.82Å; T12-I75 HydrophobicContact CG2-CG1 4.15Å; A24-I75 HydrophobicContact CB-CG2 3.77Å; V26-I75 HydrophobicContact CG2-CB 4.12Å; V26-I75 HydrophobicContact CG2-CG1 3.89Å; V26-I75 HydrophobicContact CG2-CG2 4.39Å; V71-I75 HydrophobicContact CG1-CG1 4.26Å; V71-I75 WeakPolarHBondContact O-CB 3.4Å; V71-I75 WeakPolarHBondContact O-CG1 3.34Å; V71-I75 PolarHBondContact O-N 2.99Å; I75-L78 HydrophobicContact CD1-CD1 4.45Å; I75-L78 PolarHBondContact O-N 2.92Å; I75-G79 WeakPolarHBondContact O-CA 3.42Å; I75-G79 PolarHBondContact O-N 2.98Å
76R83.3Confident80.3Confident154 Ų15454 Ų5458%0.58128%0.277SS*.Hα-helixtrans-63.7-45.6174.4-170.6-178.170.3123.91.7112.2N72 T73 V74 G79 D80N72-R76 WeakPolarHBondContact O-CB 3.38Å; N72-R76 PolarHBondContact O-N 3.37Å; T73-R76 PolarHBondContact O-N 2.88Å; V74-R76 VanDerWaalsContact C-N 3.31Å; V74-R76 PolarHBondContact O-N 2.92Å; R76-G79 CarbonylContact O-C 3.58Å; R76-G79 VanDerWaalsContact O-CA 3.26Å; R76-G79 WeakPolarHBondContact O-CA 3.48Å; R76-G79 PolarHBondContact O-N 3.32Å; R76-D80 PolarHBondContact O-N 2.74Å
77L79.3Confident80Confident42 Ų4254.6 Ų54.622%0.2228%0.281CS..Hα-helixtrans-67.2-36.8178.7-69.2168000112.2T73 V74 G79 D80 S81 V394T73-L77 HydrophobicContact CG2-CD1 3.87Å; T73-L77 HydrophobicContact CG2-CG 4.42Å; T73-L77 VanDerWaalsContact O-CG 3.31Å; T73-L77 WeakPolarHBondContact O-CG 3.25Å; T73-L77 PolarHBondContact O-N 2.93Å; V74-L77 PolarHBondContact O-N 3.23Å; L77-G79 VanDerWaalsContact C-N 3.31Å; L77-D80 PolarHBondContact O-N 3.28Å; L77-S81 PolarHBondContact O-N 2.89Å; L77-S81 PolarHBondContact O-OG 3.49Å; L77-V394 HydrophobicContact CB-CG1 3.87Å; L77-V394 HydrophobicContact CD1-CG1 3.44Å; L77-V394 VanDerWaalsContact CD1-CG1 3.44Å; L77-V394 HydrophobicContact CG-CG1 4.23Å
78L75.7Confident80Confident61 Ų6156.5 Ų56.532%0.31929%0.292SS..Hα-helixtrans-64.8-39.2168.3-73.7172.5000110.7V74 I75 D80 S81 F82V74-L78 HydrophobicContact CG1-CD1 3.92Å; V74-L78 HydrophobicContact CG1-CG 4.36Å; V74-L78 WeakPolarHBondContact O-CB 3.44Å; V74-L78 WeakPolarHBondContact O-CG 3.32Å; V74-L78 PolarHBondContact O-N 3.46Å; I75-L78 HydrophobicContact CD1-CD1 4.45Å; I75-L78 PolarHBondContact O-N 2.92Å; L78-D80 PolarHBondContact O-N 2.83Å; L78-S81 CarbonylContact O-C 3.52Å; L78-S81 WeakPolarHBondContact O-CA 3.45Å; L78-S81 WeakPolarHBondContact O-CB 3.5Å; L78-S81 PolarHBondContact O-N 3.14Å; L78-S81 VanDerWaalsContact O-N 3.1Å; L78-F82 HydrophobicContact CB-CD2 4.35Å; L78-F82 HydrophobicContact CB-CE2 3.92Å; L78-F82 WeakPolarHBondContact O-CD2 3.46Å; L78-F82 WeakPolarHBondContact O-CG 3.31Å; L78-F82 PolarHBondContact O-N 2.94Å
79G78.2Confident79.6Confident6 Ų658.1 Ų58.16%0.06230%0.297CS..Hα-helixtrans-51.9-52.5171.400000111.7I75 R76 L77 S81 F82 Q83I75-G79 WeakPolarHBondContact O-CA 3.42Å; I75-G79 PolarHBondContact O-N 2.98Å; R76-G79 CarbonylContact O-C 3.58Å; R76-G79 VanDerWaalsContact O-CA 3.26Å; R76-G79 WeakPolarHBondContact O-CA 3.48Å; R76-G79 PolarHBondContact O-N 3.32Å; L77-G79 VanDerWaalsContact C-N 3.31Å; G79-S81 VanDerWaalsContact C-N 3.25Å; G79-S81 PolarHBondContact O-N 2.92Å; G79-F82 CarbonylContact O-C 3.44Å; G79-F82 WeakPolarHBondContact O-CA 3.29Å; G79-F82 WeakPolarHBondContact O-CB 3.33Å; G79-F82 PolarHBondContact O-N 3.28Å; G79-Q83 WeakPolarHBondContact O-CG 3.47Å; G79-Q83 PolarHBondContact O-N 2.63Å
80D75.8Confident79.1Confident81 Ų8156.4 Ų56.443%0.43329%0.291SS..Hα-helixtrans-59.8-37.5177-64.1-24.9000112R76 L77 L78 Q83 S84R76-D80 PolarHBondContact O-N 2.74Å; L77-D80 PolarHBondContact O-N 3.28Å; L78-D80 PolarHBondContact O-N 2.83Å; D80-Q83 PolarHBondContact O-N 3.34Å; D80-S84 PolarHBondContact O-N 2.9Å
81S74Confident78.5Confident57 Ų5757.2 Ų57.240%0.39929%0.294SS..Hα-helixtrans-67-41.2173.7-59.20000111.9L77 L78 G79 S84L77-S81 PolarHBondContact O-N 2.89Å; L77-S81 PolarHBondContact O-OG 3.49Å; L78-S81 CarbonylContact O-C 3.52Å; L78-S81 WeakPolarHBondContact O-CA 3.45Å; L78-S81 WeakPolarHBondContact O-CB 3.5Å; L78-S81 PolarHBondContact O-N 3.14Å; L78-S81 VanDerWaalsContact O-N 3.1Å; G79-S81 VanDerWaalsContact C-N 3.25Å; G79-S81 PolarHBondContact O-N 2.92Å; S81-S84 WeakPolarHBondContact O-CB 3.46Å; S81-S84 PolarHBondContact O-N 2.91Å; S81-S84 PolarHBondContact O-OG 3.34Å
82F72.4Confident77.6Confident67 Ų6757.8 Ų57.829%0.29430%0.298SS..Hα-helixtrans-63.7-44.4174.1-68.3-50.3000111.1L22 L78 G79 S84 M85 F86L22-F82 HydrophobicContact CD2-CB 4.22Å; L22-F82 HydrophobicContact CD2-CD1 4.49Å; L22-F82 HydrophobicContact CD2-CG 4.21Å; L78-F82 HydrophobicContact CB-CD2 4.35Å; L78-F82 HydrophobicContact CB-CE2 3.92Å; L78-F82 WeakPolarHBondContact O-CD2 3.46Å; L78-F82 WeakPolarHBondContact O-CG 3.31Å; L78-F82 PolarHBondContact O-N 2.94Å; G79-F82 CarbonylContact O-C 3.44Å; G79-F82 WeakPolarHBondContact O-CA 3.29Å; G79-F82 WeakPolarHBondContact O-CB 3.33Å; G79-F82 PolarHBondContact O-N 3.28Å; F82-S84 PolarHBondContact O-N 2.88Å; F82-S84 VanDerWaalsContact O-N 3.09Å; F82-M85 HydrophobicContact CD1-CE 3.4Å; F82-M85 VanDerWaalsContact CD1-CE 3.4Å; F82-M85 HydrophobicContact CD1-SD 4.43Å; F82-M85 HydrophobicContact CE1-CE 3.82Å; F82-M85 HydrophobicContact CG-CE 4.44Å; F82-M85 WeakPolarHBondContact O-CA 3.49Å; F82-M85 WeakPolarHBondContact O-CB 3.31Å; F82-M85 PolarHBondContact O-N 3.44Å; F82-F86 VanDerWaalsContact O-CD2 3.28Å; F82-F86 WeakPolarHBondContact O-CD2 3.35Å; F82-F86 PolarHBondContact O-N 3.1Å
83Q76.9Confident76.1Confident59 Ų5957.2 Ų57.228%0.27629%0.293SS..Hα-helixtrans-52.6-39.3177.1-67.9-174.17.300111.4I21 G79 D80 M85 F86 K87I21-Q83 HydrophobicContact CG2-CB 3.71Å; I21-Q83 HydrophobicContact CG2-CG 3.58Å; G79-Q83 WeakPolarHBondContact O-CG 3.47Å; G79-Q83 PolarHBondContact O-N 2.63Å; D80-Q83 PolarHBondContact O-N 3.34Å; Q83-M85 VanDerWaalsContact C-N 3.26Å; Q83-M85 PolarHBondContact O-N 3.48Å; Q83-F86 PolarHBondContact O-N 3.29Å; Q83-K87 WeakPolarHBondContact O-CG 3.34Å; Q83-K87 PolarHBondContact O-N 2.98Å; Q83-K87 VanDerWaalsContact O-N 3.17Å
84S74.3Confident74.3Confident62 Ų6259.6 Ų59.643%0.43431%0.307SS..Hα-helixtrans-61.9-30.1176.9810000114D80 S81 F82 H89D80-S84 PolarHBondContact O-N 2.9Å; S81-S84 WeakPolarHBondContact O-CB 3.46Å; S81-S84 PolarHBondContact O-N 2.91Å; S81-S84 PolarHBondContact O-OG 3.34Å; F82-S84 PolarHBondContact O-N 2.88Å; F82-S84 VanDerWaalsContact O-N 3.09Å; S84-H89 PolarHBondContact O-CE1 3.4Å
85M73.8Confident72.4Confident94 Ų9464.1 Ų64.146%0.46334%0.335SS..Hα-helixtrans-77.8-23.1177.9-61.7-175-12700113.7F82 Q83F82-M85 HydrophobicContact CD1-CE 3.4Å; F82-M85 VanDerWaalsContact CD1-CE 3.4Å; F82-M85 HydrophobicContact CD1-SD 4.43Å; F82-M85 HydrophobicContact CE1-CE 3.82Å; F82-M85 HydrophobicContact CG-CE 4.44Å; F82-M85 WeakPolarHBondContact O-CA 3.49Å; F82-M85 WeakPolarHBondContact O-CB 3.31Å; F82-M85 PolarHBondContact O-N 3.44Å; Q83-M85 VanDerWaalsContact C-N 3.26Å; Q83-M85 PolarHBondContact O-N 3.48Å
86F77.5Confident70.3Confident18 Ų1864.9 Ų64.98%0.07934%0.342CS..SBendtrans-103.66179.3-64.5-93.4000112.8I21 L22 F82 Q83 Q131 L133 F148 L150I21-F86 HydrophobicContact CG2-CB 4.29Å; L22-F86 HydrophobicContact CB-CD2 3.52Å; L22-F86 HydrophobicContact CB-CE1 4.36Å; L22-F86 HydrophobicContact CB-CE2 3.37Å; L22-F86 HydrophobicContact CB-CG 4.16Å; L22-F86 HydrophobicContact CB-CZ 3.82Å; L22-F86 HydrophobicContact CD2-CD2 4.45Å; L22-F86 HydrophobicContact CD2-CE2 3.51Å; L22-F86 HydrophobicContact CD2-CZ 3.82Å; L22-F86 HydrophobicContact CG-CE2 4.06Å; L22-F86 HydrophobicContact CG-CZ 4.37Å; F82-F86 VanDerWaalsContact O-CD2 3.28Å; F82-F86 WeakPolarHBondContact O-CD2 3.35Å; F82-F86 PolarHBondContact O-N 3.1Å; Q83-F86 PolarHBondContact O-N 3.29Å; F86-Q131 CarbonylContact C-O 3.57Å; F86-Q131 VanDerWaalsContact CA-O 3.26Å; F86-Q131 WeakPolarHBondContact CA-O 3.24Å; F86-Q131 WeakPolarHBondContact CD1-O 3.24Å; F86-L133 HydrophobicContact CD1-CD1 4.43Å; F86-L133 HydrophobicContact CD1-CD2 4.46Å; F86-L133 HydrophobicContact CD1-CG 3.91Å; F86-L133 HydrophobicContact CE1-CD1 4.15Å; F86-L133 HydrophobicContact CE1-CD2 3.84Å; F86-L133 HydrophobicContact CE1-CG 3.72Å; F86-F148 HydrophobicContact CZ-CD1 4.49Å; F86-L150 HydrophobicContact CD1-CD2 3.94Å; F86-L150 HydrophobicContact CE1-CD2 3.6Å
87K78.1Confident68Low110 Ų11063.4 Ų63.448%0.47836%0.356SS..SBendtrans-72.8156.4170.4-83.7175.8-173-179.40110Q83 H89Q83-K87 WeakPolarHBondContact O-CG 3.34Å; Q83-K87 PolarHBondContact O-N 2.98Å; Q83-K87 VanDerWaalsContact O-N 3.17Å; K87-H89 PolarHBondContact O-CE1 2.78Å; K87-H89 PolarHBondContact O-N 3.02Å; K87-H89 PolarHBondContact O-ND1 2.91Å
88D81.5Confident65.9Low58 Ų5868.8 Ų68.831%0.3138%0.38SS..  trans-63.7133.9172.5-52.5-20.5000109.5T128 Y129 R132D88-T128 HydrophobicContact CB-CG2 3.65Å; D88-Y129 CarbonylContact C-O 3.48Å; D88-Y129 WeakPolarHBondContact CA-O 3.44Å; D88-R132 IonicContact OD1-CZ 2.98Å; D88-R132 IonicContact OD1-NE 3.35Å; D88-R132 PolarHBondContact OD1-NE 3.31Å; D88-R132 IonicContact OD1-NH2 3.51Å; D88-R132 PolarHBondContact OD1-NH2 3.26Å; D88-R132 IonicContact OD2-CZ 3.34Å; D88-R132 IonicContact OD2-NE 2.71Å; D88-R132 IonicContact OD2-NH2 3.62Å; D88-R132 PolarHBondContact OD2-NH2 3.5Å
89H78.6Confident64Low57 Ų5774.9 Ų74.926%0.26441%0.406SS..EExtended strand (participates in β ladder)trans-111.9120.9-173.9-70.4-2.9000110.6S84 K87 M91 T128 Y129S84-H89 PolarHBondContact O-CE1 3.4Å; K87-H89 PolarHBondContact O-CE1 2.78Å; K87-H89 PolarHBondContact O-N 3.02Å; K87-H89 PolarHBondContact O-ND1 2.91Å; H89-M91 PolarHBondContact O-N 3.25Å; H89-T128 CarbonylContact O-C 3.56Å; H89-T128 WeakPolarHBondContact O-CA 3.38Å; H89-Y129 PolarHBondContact N-O 3.26Å; H89-Y129 PolarHBondContact O-N 3.43Å
90P77.1Confident62Low56 Ų5678.1 Ų78.136%0.36443%0.425SS..EExtended strand (participates in β ladder)trans-61.5133.6169.427.1-32.7000108.7V92 Q93P90-V92 PolarHBondContact O-N 3.49Å; P90-Q93 HydrophobicContact CG-CG 4.06Å
91M71.2Confident60.1Low42 Ų4277.6 Ų77.621%0.20743%0.426CS..SBendtrans-70.3-21.8-176.8-67.5-90.465.200112H89 F105 L127 Y129 I154H89-M91 PolarHBondContact O-N 3.25Å; M91-F105 HydrophobicContact CB-CB 4.45Å; M91-F105 HydrophobicContact CB-CD2 3.63Å; M91-F105 HydrophobicContact CB-CE2 4.11Å; M91-F105 HydrophobicContact CB-CG 4.03Å; M91-F105 HydrophobicContact CE-CD2 3.81Å; M91-F105 HydrophobicContact CE-CE2 3.43Å; M91-F105 VanDerWaalsContact CE-CE2 3.43Å; M91-F105 HydrophobicContact CE-CZ 4.47Å; M91-F105 HydrophobicContact CG-CD2 4.19Å; M91-F105 HydrophobicContact CG-CE2 4.15Å; M91-F105 HydrophobicContact SD-CD2 3.67Å; M91-F105 HydrophobicContact SD-CE2 3.08Å; M91-F105 WeakPolarHBondContact SD-CE2 3.26Å; M91-F105 HydrophobicContact SD-CZ 3.63Å; M91-L127 HydrophobicContact CB-CB 3.92Å; M91-L127 HydrophobicContact CG-CB 3.89Å; M91-L127 PolarHBondContact N-O 3.23Å; M91-Y129 HydrophobicContact CE-CG 4.42Å; M91-I154 HydrophobicContact CG-CG2 4.37Å; M91-I154 HydrophobicContact SD-CD1 3.96Å; M91-I154 HydrophobicContact SD-CG1 4.09Å; M91-I154 HydrophobicContact SD-CG2 4.22Å
92V65.2Low58.4Low25 Ų2579.6 Ų79.615%0.15243%0.429CS..SBendtrans-125.2117.7171.6177.20000109.5P90 T94 F105 I124P90-V92 PolarHBondContact O-N 3.49Å; V92-T94 HydrophobicContact CG1-CG2 4.45Å; V92-F105 HydrophobicContact CG2-CB 3.67Å; V92-I124 HydrophobicContact CB-CG2 4.05Å; V92-I124 HydrophobicContact CG2-CG2 3.25Å
93Q54.3Low57.2Low68 Ų6880.2 Ų80.232%0.31844%0.435SS..  trans-95.7108.2171.7-71.5-176.73.600109.3P90 T95P90-Q93 HydrophobicContact CG-CG 4.06Å; Q93-T95 VanDerWaalsContact C-N 3.31Å
94T46.5Very low55.7Low80 Ų8080.8 Ų80.849%0.49144%0.436SS..SBendtrans-76.3-18.8178.146.90000113.1V92 E125V92-T94 HydrophobicContact CG1-CG2 4.45Å; T94-E125 HydrophobicContact CG2-CG 4.06Å; T94-E125 WeakPolarHBondContact CG2-OE1 3.47Å
95T42.3Very low54.4Low125 Ų12578.7 Ų78.777%0.76742%0.419SS*.  trans-125.764.1-170.650.70000112.2Q93 S97Q93-T95 VanDerWaalsContact C-N 3.31Å; T95-S97 PolarHBondContact O-N 2.95Å
96S40.9Very low53.2Low40 Ų4076 Ų7628%0.2841%0.41SS..  trans-96.494.3176.778.70000111.9E98 Q102S96-E98 WeakPolarHBondContact CB-O 3.28Å; S96-Q102 WeakPolarHBondContact OG-CG 3.47Å
97S35Very low51.9Low124 Ų12482 Ų8287%0.86743%0.432SS*.SBendtrans-76.6-5.4159.654.20000112.6T95T95-S97 PolarHBondContact O-N 2.95Å
98E33.9Very low50.6Low155 Ų15577.6 Ų77.672%0.72441%0.413SS*.SBendtrans-133.7152175.9-71.9-169150.700111.5S96 V100S96-E98 WeakPolarHBondContact CB-O 3.28Å; E98-V100 PolarHBondContact O-N 3.44Å
99H37.5Very low49.1Very low189 Ų18975.1 Ų75.188%0.87540%0.4SS*.SBendtrans-55.837.4-162.5-66.9-2.4000119.1P101H99-P101 WeakPolarHBondContact O-CD 3.35Å
100V34.5Very low47.9Very low74 Ų7480.1 Ų80.145%0.44842%0.423SS..  trans-80.3119.5163.3-170.80000106.7E98 Q102E98-V100 PolarHBondContact O-N 3.44Å; V100-Q102 PolarHBondContact O-N 2.84Å
101P35.8Very low46.7Very low69 Ų6985 Ų8545%0.44843%0.434SS..  trans-56.3115.3174.9-18.430.5000107.5H99 L103H99-P101 WeakPolarHBondContact O-CD 3.35Å; P101-L103 HydrophobicContact CB-CB 3.68Å; P101-L103 HydrophobicContact CB-CD1 3.83Å; P101-L103 HydrophobicContact CB-CG 4Å; P101-L103 PolarHBondContact O-N 3.41Å
102Q40Very low45.7Very low99 Ų9983.9 Ų83.946%0.46343%0.429SS..SBendtrans-57.420.3165.2-69.2-174.1-51.800112.9S96 V100 S106S96-Q102 WeakPolarHBondContact OG-CG 3.47Å; V100-Q102 PolarHBondContact O-N 2.84Å; Q102-S106 WeakPolarHBondContact O-CB 3.44Å; Q102-S106 PolarHBondContact O-OG 3.39Å
103L46.5Very low45.2Very low81 Ų8186.5 Ų86.542%0.42444%0.436SS..  trans-126.516.4-136.4-66.8171.8000115.1P101 R107P101-L103 HydrophobicContact CB-CB 3.68Å; P101-L103 HydrophobicContact CB-CD1 3.83Å; P101-L103 HydrophobicContact CB-CG 4Å; P101-L103 PolarHBondContact O-N 3.41Å; L103-R107 WeakPolarHBondContact O-CD 3.39Å
104F45.1Very low45.1Very low70 Ų7083.9 Ų83.931%0.30742%0.424SS..SBendtrans-111.6-78.8171.5-176-110.1000111.3S106 R107 I108 F353F104-S106 PolarHBondContact O-N 2.96Å; F104-R107 WeakPolarHBondContact O-CB 3.44Å; F104-R107 PolarHBondContact O-N 3.03Å; F104-I108 HydrophobicContact CD1-CD1 4.2Å; F104-I108 HydrophobicContact CD2-CD1 4Å; F104-I108 HydrophobicContact CE1-CD1 3.58Å; F104-I108 HydrophobicContact CE2-CD1 3.35Å; F104-I108 HydrophobicContact CE2-CG1 4.21Å; F104-I108 HydrophobicContact CG-CD1 4.37Å; F104-I108 HydrophobicContact CZ-CD1 3.09Å; F104-I108 HydrophobicContact CZ-CG1 4.33Å; F104-I108 WeakPolarHBondContact O-CG1 3.37Å; F104-I108 PolarHBondContact O-N 3.05Å; F104-F353 HydrophobicContact CD2-CD1 4.15Å; F104-F353 HydrophobicContact CE1-CE1 4.45Å; F104-F353 AromaticContact CE2-CD1 3.15Å; F104-F353 HydrophobicContact CE2-CD1 3.15Å; F104-F353 AromaticContact CE2-CE1 3.41Å; F104-F353 HydrophobicContact CE2-CE1 3.41Å; F104-F353 VanDerWaalsContact CE2-CE1 3.41Å; F104-F353 HydrophobicContact CE2-CG 4.06Å; F104-F353 HydrophobicContact CE2-CZ 4.43Å; F104-F353 AromaticContact CZ-CD1 3.41Å; F104-F353 HydrophobicContact CZ-CD1 3.41Å; F104-F353 VanDerWaalsContact CZ-CD1 3.41Å; F104-F353 AromaticContact CZ-CE1 3.26Å; F104-F353 HydrophobicContact CZ-CE1 3.26Å; F104-F353 HydrophobicContact CZ-CZ 4.39Å
105F46.3Very low45.2Very low18 Ų1882 Ų828%0.07942%0.416CS..Hα-helixtrans-60.9-42.8-177.3-80.3-69.6000112.7M91 V92 R107 I108 L109 I154 F192M91-F105 HydrophobicContact CB-CB 4.45Å; M91-F105 HydrophobicContact CB-CD2 3.63Å; M91-F105 HydrophobicContact CB-CE2 4.11Å; M91-F105 HydrophobicContact CB-CG 4.03Å; M91-F105 HydrophobicContact CE-CD2 3.81Å; M91-F105 HydrophobicContact CE-CE2 3.43Å; M91-F105 VanDerWaalsContact CE-CE2 3.43Å; M91-F105 HydrophobicContact CE-CZ 4.47Å; M91-F105 HydrophobicContact CG-CD2 4.19Å; M91-F105 HydrophobicContact CG-CE2 4.15Å; M91-F105 HydrophobicContact SD-CD2 3.67Å; M91-F105 HydrophobicContact SD-CE2 3.08Å; M91-F105 WeakPolarHBondContact SD-CE2 3.26Å; M91-F105 HydrophobicContact SD-CZ 3.63Å; V92-F105 HydrophobicContact CG2-CB 3.67Å; F105-R107 PolarHBondContact O-N 2.8Å; F105-I108 PolarHBondContact O-N 2.74Å; F105-L109 HydrophobicContact CB-CD1 3.69Å; F105-L109 HydrophobicContact CD1-CD1 4.07Å; F105-L109 HydrophobicContact CG-CD1 4.35Å; F105-L109 WeakPolarHBondContact O-CB 3.1Å; F105-L109 WeakPolarHBondContact O-CD1 3.44Å; F105-L109 WeakPolarHBondContact O-CG 3.48Å; F105-L109 PolarHBondContact O-N 3.49Å; F105-I154 HydrophobicContact CZ-CD1 4.49Å; F105-F192 HydrophobicContact CD1-CE2 4.08Å; F105-F192 HydrophobicContact CD1-CZ 4.37Å; F105-F192 HydrophobicContact CE1-CD2 4.01Å; F105-F192 AromaticContact CE1-CE2 3.23Å; F105-F192 HydrophobicContact CE1-CE2 3.23Å; F105-F192 AromaticContact CE1-CZ 3.56Å; F105-F192 HydrophobicContact CE1-CZ 3.56Å; F105-F192 HydrophobicContact CZ-CD2 4.24Å; F105-F192 AromaticContact CZ-CE2 3.91Å; F105-F192 HydrophobicContact CZ-CE2 3.91Å; F105-F192 HydrophobicContact CZ-CZ 4.43Å
106S48.4Very low45.8Very low37 Ų3780.5 Ų80.526%0.25940%0.404SS..Hα-helixtrans-57.2-36.8176.887.30000112Q102 F104 H110Q102-S106 WeakPolarHBondContact O-CB 3.44Å; Q102-S106 PolarHBondContact O-OG 3.39Å; F104-S106 PolarHBondContact O-N 2.96Å; S106-H110 WeakPolarHBondContact O-CB 3.32Å; S106-H110 PolarHBondContact O-N 2.83Å
107R50.4Low46.6Very low145 Ų14582.7 Ų82.755%0.54741%0.412SS..Hα-helixtrans-73.7-45.5178.7-76.8-171.2178.2174.9-7.6112.5L103 F104 F105 L109 H110 R111L103-R107 WeakPolarHBondContact O-CD 3.39Å; F104-R107 WeakPolarHBondContact O-CB 3.44Å; F104-R107 PolarHBondContact O-N 3.03Å; F105-R107 PolarHBondContact O-N 2.8Å; R107-L109 VanDerWaalsContact C-N 3.26Å; R107-L109 PolarHBondContact O-N 3.43Å; R107-H110 PolarHBondContact O-N 2.73Å; R107-R111 WeakPolarHBondContact O-CB 3.39Å; R107-R111 WeakPolarHBondContact O-CG 3.32Å; R107-R111 PolarHBondContact O-N 3.36Å
108I50.8Low47.9Very low17 Ų1785.7 Ų85.79%0.08741%0.412CS..Hα-helixtrans-56.9-50.4175.4-62.5-174.3000108.8F104 F105 R111 I112 M351F104-I108 HydrophobicContact CD1-CD1 4.2Å; F104-I108 HydrophobicContact CD2-CD1 4Å; F104-I108 HydrophobicContact CE1-CD1 3.58Å; F104-I108 HydrophobicContact CE2-CD1 3.35Å; F104-I108 HydrophobicContact CE2-CG1 4.21Å; F104-I108 HydrophobicContact CG-CD1 4.37Å; F104-I108 HydrophobicContact CZ-CD1 3.09Å; F104-I108 HydrophobicContact CZ-CG1 4.33Å; F104-I108 WeakPolarHBondContact O-CG1 3.37Å; F104-I108 PolarHBondContact O-N 3.05Å; F105-I108 PolarHBondContact O-N 2.74Å; I108-R111 WeakPolarHBondContact O-CB 3.34Å; I108-R111 PolarHBondContact O-N 3.05Å; I108-R111 VanDerWaalsContact O-N 3.11Å; I108-I112 HydrophobicContact CG2-CD1 3.88Å; I108-I112 WeakPolarHBondContact O-CG1 3.06Å; I108-I112 PolarHBondContact O-N 3.1Å; I108-M351 HydrophobicContact CB-SD 4.2Å; I108-M351 HydrophobicContact CD1-CE 3.31Å; I108-M351 HydrophobicContact CD1-SD 3.68Å; I108-M351 HydrophobicContact CG1-CE 3.82Å; I108-M351 HydrophobicContact CG1-SD 3.46Å; I108-M351 WeakPolarHBondContact CG1-SD 3.36Å; I108-M351 HydrophobicContact CG2-CE 4.11Å; I108-M351 HydrophobicContact CG2-SD 4.02Å
109L51.1Low49.5Very low6 Ų684.6 Ų84.63%0.03141%0.406CS..Hα-helixtrans-74.5-32-173.6-58.5154.8000110.3F105 R107 R111 I112 F114 I124F105-L109 HydrophobicContact CB-CD1 3.69Å; F105-L109 HydrophobicContact CD1-CD1 4.07Å; F105-L109 HydrophobicContact CG-CD1 4.35Å; F105-L109 WeakPolarHBondContact O-CB 3.1Å; F105-L109 WeakPolarHBondContact O-CD1 3.44Å; F105-L109 WeakPolarHBondContact O-CG 3.48Å; F105-L109 PolarHBondContact O-N 3.49Å; R107-L109 VanDerWaalsContact C-N 3.26Å; R107-L109 PolarHBondContact O-N 3.43Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 3.26Å; L109-I112 HydrophobicContact CD2-CD1 4.06Å; L109-I112 PolarHBondContact O-N 2.71Å; L109-F114 HydrophobicContact CB-CE2 3.85Å; L109-F114 HydrophobicContact CB-CZ 3.64Å; L109-F114 HydrophobicContact CD2-CE1 4.15Å; L109-F114 HydrophobicContact CD2-CE2 4.49Å; L109-F114 HydrophobicContact CD2-CZ 3.49Å; L109-F114 VanDerWaalsContact CD2-CZ 3.49Å; L109-F114 HydrophobicContact CG-CZ 4.13Å; L109-F114 WeakPolarHBondContact O-CE2 3.01Å; L109-I124 HydrophobicContact CB-CD1 3.36Å; L109-I124 HydrophobicContact CB-CG1 4.24Å; L109-I124 HydrophobicContact CD1-CB 3.95Å; L109-I124 HydrophobicContact CD1-CD1 3.67Å; L109-I124 HydrophobicContact CD1-CG1 3.61Å; L109-I124 HydrophobicContact CD1-CG2 3.2Å; L109-I124 HydrophobicContact CD2-CD1 3.99Å; L109-I124 HydrophobicContact CD2-CG1 4.01Å; L109-I124 HydrophobicContact CG-CD1 3.82Å; L109-I124 HydrophobicContact CG-CG1 4.14Å; L109-I124 HydrophobicContact CG-CG2 4.46Å
110H53.5Low51Low163 Ų16375.8 Ų75.876%0.75537%0.365SS*.Hα-helixtrans-64.5-30.7169.1-116.2-62.6000113.3S106 R107S106-H110 WeakPolarHBondContact O-CB 3.32Å; S106-H110 PolarHBondContact O-N 2.83Å; R107-H110 PolarHBondContact O-N 2.73Å
111R50.6Low52.6Low157 Ų15774.6 Ų74.659%0.59236%0.363SS*.Hα-helixtrans-76.9-31.8176.3-75.5-178.2175.1-155.4-2.9111.7R107 I108 L109 R113R107-R111 WeakPolarHBondContact O-CB 3.39Å; R107-R111 WeakPolarHBondContact O-CG 3.32Å; R107-R111 PolarHBondContact O-N 3.36Å; I108-R111 WeakPolarHBondContact O-CB 3.34Å; I108-R111 PolarHBondContact O-N 3.05Å; I108-R111 VanDerWaalsContact O-N 3.11Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 3.26Å; R111-R113 PolarHBondContact O-N 3.16Å; R111-R113 VanDerWaalsContact O-N 3.16Å
112I50.5Low54.6Low19 Ų1973.8 Ų73.810%0.09736%0.362CS..SBendtrans-70.3106.8169.6-58.9162.5000107.6I108 L109 F114 L348I108-I112 HydrophobicContact CG2-CD1 3.88Å; I108-I112 WeakPolarHBondContact O-CG1 3.06Å; I108-I112 PolarHBondContact O-N 3.1Å; L109-I112 HydrophobicContact CD2-CD1 4.06Å; L109-I112 PolarHBondContact O-N 2.71Å; I112-F114 HydrophobicContact CB-CD1 4.22Å; I112-F114 HydrophobicContact CB-CD2 4.47Å; I112-F114 HydrophobicContact CB-CE1 3.7Å; I112-F114 HydrophobicContact CB-CE2 4.05Å; I112-F114 HydrophobicContact CB-CZ 3.59Å; I112-F114 HydrophobicContact CD1-CE1 4.07Å; I112-F114 HydrophobicContact CD1-CZ 4.04Å; I112-F114 HydrophobicContact CG1-CE1 4.45Å; I112-F114 HydrophobicContact CG1-CZ 4.37Å; I112-F114 HydrophobicContact CG2-CD1 3.46Å; I112-F114 VanDerWaalsContact CG2-CD1 3.46Å; I112-F114 HydrophobicContact CG2-CD2 4.39Å; I112-F114 HydrophobicContact CG2-CE1 3.3Å; I112-F114 HydrophobicContact CG2-CE2 4.32Å; I112-F114 HydrophobicContact CG2-CG 4.01Å; I112-F114 HydrophobicContact CG2-CZ 3.76Å; I112-F114 WeakPolarHBondContact O-CD2 3.4Å; I112-F114 WeakPolarHBondContact O-CE2 3.19Å; I112-F114 PolarHBondContact O-N 3.35Å; I112-L348 HydrophobicContact CB-CD2 4.28Å; I112-L348 HydrophobicContact CD1-CD1 4.42Å; I112-L348 HydrophobicContact CD1-CD2 4.04Å; I112-L348 HydrophobicContact CG1-CD1 3.82Å; I112-L348 HydrophobicContact CG1-CD2 3.15Å; I112-L348 HydrophobicContact CG1-CG 4.09Å
113R54.9Low56.6Low80 Ų8072.6 Ų72.630%0.30236%0.355SS..  trans-74.387.4167.3-65.9-162.5-177-153.910.1108.1R111 S205 N210R111-R113 PolarHBondContact O-N 3.16Å; R111-R113 VanDerWaalsContact O-N 3.16Å; R113-S205 PolarHBondContact O-N 3.36Å; R113-N210 PolarHBondContact NH1-ND2 3.34Å; R113-N210 VanDerWaalsContact NH1-ND2 3.19Å; R113-N210 PolarHBondContact NH1-OD1 3.46Å
114F51.9Low58Low14 Ų1469.2 Ų69.26%0.06134%0.338CS..BIsolated β-bridgetrans-62147.4174.9-53.9-77.9000108.9L109 I112 N116 N117 A120 I124 L201L109-F114 HydrophobicContact CB-CE2 3.85Å; L109-F114 HydrophobicContact CB-CZ 3.64Å; L109-F114 HydrophobicContact CD2-CE1 4.15Å; L109-F114 HydrophobicContact CD2-CE2 4.49Å; L109-F114 HydrophobicContact CD2-CZ 3.49Å; L109-F114 VanDerWaalsContact CD2-CZ 3.49Å; L109-F114 HydrophobicContact CG-CZ 4.13Å; L109-F114 WeakPolarHBondContact O-CE2 3.01Å; I112-F114 HydrophobicContact CB-CD1 4.22Å; I112-F114 HydrophobicContact CB-CD2 4.47Å; I112-F114 HydrophobicContact CB-CE1 3.7Å; I112-F114 HydrophobicContact CB-CE2 4.05Å; I112-F114 HydrophobicContact CB-CZ 3.59Å; I112-F114 HydrophobicContact CD1-CE1 4.07Å; I112-F114 HydrophobicContact CD1-CZ 4.04Å; I112-F114 HydrophobicContact CG1-CE1 4.45Å; I112-F114 HydrophobicContact CG1-CZ 4.37Å; I112-F114 HydrophobicContact CG2-CD1 3.46Å; I112-F114 VanDerWaalsContact CG2-CD1 3.46Å; I112-F114 HydrophobicContact CG2-CD2 4.39Å; I112-F114 HydrophobicContact CG2-CE1 3.3Å; I112-F114 HydrophobicContact CG2-CE2 4.32Å; I112-F114 HydrophobicContact CG2-CG 4.01Å; I112-F114 HydrophobicContact CG2-CZ 3.76Å; I112-F114 WeakPolarHBondContact O-CD2 3.4Å; I112-F114 WeakPolarHBondContact O-CE2 3.19Å; I112-F114 PolarHBondContact O-N 3.35Å; F114-N116 PolarHBondContact O-N 3.17Å; F114-N117 PolarHBondContact N-OD1 2.85Å; F114-N117 PolarHBondContact O-N 3.47Å; F114-N117 PolarHBondContact O-OD1 3.3Å; F114-A120 HydrophobicContact CB-CB 3.84Å; F114-A120 HydrophobicContact CD1-CB 4.27Å; F114-A120 HydrophobicContact CD2-CB 3.09Å; F114-A120 HydrophobicContact CE2-CB 3.58Å; F114-A120 HydrophobicContact CG-CB 3.47Å; F114-A120 VanDerWaalsContact CG-CB 3.47Å; F114-A120 HydrophobicContact CZ-CB 4.38Å; F114-I124 HydrophobicContact CE2-CD1 3.81Å; F114-I124 HydrophobicContact CZ-CD1 3.99Å; F114-L201 HydrophobicContact CD1-CB 4.31Å; F114-L201 HydrophobicContact CD1-CD2 4.09Å; F114-L201 WeakPolarHBondContact CD1-O 3.26Å; F114-L201 HydrophobicContact CE1-CB 3.81Å; F114-L201 HydrophobicContact CE1-CD2 3.85Å; F114-L201 HydrophobicContact CE1-CG 4.43Å; F114-L201 WeakPolarHBondContact CE1-O 3.21Å; F114-L201 HydrophobicContact CZ-CD2 4.19Å
115A49.5Very low59.6Low40 Ų4070.3 Ų70.333%0.33134%0.344SS..THydrogen-bonded Turntrans-54.7-14.817300000114.1N203A115-N203 PolarHBondContact N-O 3.46Å
116N55.7Low61.4Low94 Ų9474.3 Ų74.350%0.50336%0.358SS..THydrogen-bonded Turntrans-142.578.5169.1-96-57.2000110.6F114 E118 K119 A120F114-N116 PolarHBondContact O-N 3.17Å; N116-E118 PolarHBondContact O-N 3.18Å; N116-K119 HydrophobicContact CB-CB 4.01Å; N116-K119 HydrophobicContact CB-CD 4.28Å; N116-K119 HydrophobicContact CB-CG 4.23Å; N116-K119 PolarHBondContact O-N 2.79Å; N116-A120 PolarHBondContact O-N 3.16Å
117N57Low63.2Low85 Ų8572.6 Ų72.646%0.45535%0.346SS..Hα-helixtrans-50.7-40.3-179.4-86.2-12.7000113.7F114 K119 A120F114-N117 PolarHBondContact N-OD1 2.85Å; F114-N117 PolarHBondContact O-N 3.47Å; F114-N117 PolarHBondContact O-OD1 3.3Å; N117-K119 PolarHBondContact O-N 3.31Å; N117-A120 PolarHBondContact O-N 3.4Å
118E61.7Low64.8Low187 Ų18766.2 Ų66.287%0.87432%0.324SS*.Hα-helixtrans-65.9-38.1178.6-67.8-175.1168.500112.9N116N116-E118 PolarHBondContact O-N 3.18Å
119K68.3Low66.5Low133 Ų13367.9 Ų67.958%0.57833%0.329SS*.Hα-helixtrans-80.5-19.8177.6-59.3-176.4179176.40112.5N116 N117 K123N116-K119 HydrophobicContact CB-CB 4.01Å; N116-K119 HydrophobicContact CB-CD 4.28Å; N116-K119 HydrophobicContact CB-CG 4.23Å; N116-K119 PolarHBondContact O-N 2.79Å; N117-K119 PolarHBondContact O-N 3.31Å; K119-K123 WeakPolarHBondContact O-CG 3.28Å; K119-K123 PolarHBondContact O-N 3.46Å
120A67.7Low68.1Low3 Ų367.9 Ų67.93%0.02533%0.329CS..Hα-helixtrans-67.4-44.5-179.200000111.4F114 N116 N117 A122 K123 I124 L201F114-A120 HydrophobicContact CB-CB 3.84Å; F114-A120 HydrophobicContact CD1-CB 4.27Å; F114-A120 HydrophobicContact CD2-CB 3.09Å; F114-A120 HydrophobicContact CE2-CB 3.58Å; F114-A120 HydrophobicContact CG-CB 3.47Å; F114-A120 VanDerWaalsContact CG-CB 3.47Å; F114-A120 HydrophobicContact CZ-CB 4.38Å; N116-A120 PolarHBondContact O-N 3.16Å; N117-A120 PolarHBondContact O-N 3.4Å; A120-A122 PolarHBondContact O-N 3.16Å; A120-K123 WeakPolarHBondContact O-CB 2.97Å; A120-K123 PolarHBondContact O-N 3.17Å; A120-I124 HydrophobicContact CB-CD1 4.15Å; A120-I124 WeakPolarHBondContact O-CB 3.25Å; A120-I124 VanDerWaalsContact O-CD1 3.28Å; A120-I124 WeakPolarHBondContact O-CD1 3.39Å; A120-I124 WeakPolarHBondContact O-CG1 3.48Å; A120-I124 PolarHBondContact O-N 3.5Å; A120-L201 HydrophobicContact CB-CD2 4Å
121A69.9Low69.6Low50 Ų5062.6 Ų62.641%0.41331%0.305SS..Hα-helixtrans-52.1-50.8-179.500000112.6K123 I124 E125A121-K123 VanDerWaalsContact C-N 3.29Å; A121-K123 PolarHBondContact O-N 3.44Å; A121-I124 WeakPolarHBondContact O-CB 3.26Å; A121-I124 PolarHBondContact O-N 3Å; A121-E125 WeakPolarHBondContact O-CG 3.43Å; A121-E125 PolarHBondContact O-N 3.5Å; A121-E125 VanDerWaalsContact O-N 3.07Å
122A76.8Confident71.2Confident51 Ų5158.9 Ų58.942%0.42129%0.291SS..Hα-helixtrans-65.5-28.3178.900000113.8A120 R126A120-A122 PolarHBondContact O-N 3.16Å; A122-R126 WeakPolarHBondContact O-CG 3.4Å
123K81.1Confident73Confident74 Ų7458.3 Ų58.332%0.32229%0.288SS..Hα-helixtrans-74.3-41.4174.9-73.4171.1166-161.40111.2K119 A120 A121 E125 R126 L199 L201K119-K123 WeakPolarHBondContact O-CG 3.28Å; K119-K123 PolarHBondContact O-N 3.46Å; A120-K123 WeakPolarHBondContact O-CB 2.97Å; A120-K123 PolarHBondContact O-N 3.17Å; A121-K123 VanDerWaalsContact C-N 3.29Å; A121-K123 PolarHBondContact O-N 3.44Å; K123-E125 VanDerWaalsContact C-N 3.33Å; K123-E125 PolarHBondContact O-N 3.32Å; K123-R126 VanDerWaalsContact O-CB 3.28Å; K123-R126 WeakPolarHBondContact O-CB 2.99Å; K123-R126 PolarHBondContact O-N 3.46Å; K123-R126 VanDerWaalsContact O-N 3.09Å; K123-L199 HydrophobicContact CB-CD2 4.44Å; K123-L199 VanDerWaalsContact CD-O 3.28Å; K123-L199 WeakPolarHBondContact CD-O 3.38Å; K123-L199 WeakPolarHBondContact CE-O 3.31Å; K123-L199 PolarHBondContact NZ-O 2.78Å; K123-L199 WeakPolarHBondContact O-CD1 3.35Å; K123-L201 HydrophobicContact CB-CD2 4.01Å; K123-L201 HydrophobicContact CB-CG 4.45Å; K123-L201 HydrophobicContact CD-CD2 4.33Å
124I76Confident74.3Confident10 Ų1059.8 Ų59.85%0.05130%0.297CS..Hα-helixtrans-62.5-41.1179.7-69.2163.9000111.3V92 L109 F114 A120 A121 R126 L127 L201V92-I124 HydrophobicContact CB-CG2 4.05Å; V92-I124 HydrophobicContact CG2-CG2 3.25Å; L109-I124 HydrophobicContact CB-CD1 3.36Å; L109-I124 HydrophobicContact CB-CG1 4.24Å; L109-I124 HydrophobicContact CD1-CB 3.95Å; L109-I124 HydrophobicContact CD1-CD1 3.67Å; L109-I124 HydrophobicContact CD1-CG1 3.61Å; L109-I124 HydrophobicContact CD1-CG2 3.2Å; L109-I124 HydrophobicContact CD2-CD1 3.99Å; L109-I124 HydrophobicContact CD2-CG1 4.01Å; L109-I124 HydrophobicContact CG-CD1 3.82Å; L109-I124 HydrophobicContact CG-CG1 4.14Å; L109-I124 HydrophobicContact CG-CG2 4.46Å; F114-I124 HydrophobicContact CE2-CD1 3.81Å; F114-I124 HydrophobicContact CZ-CD1 3.99Å; A120-I124 HydrophobicContact CB-CD1 4.15Å; A120-I124 WeakPolarHBondContact O-CB 3.25Å; A120-I124 VanDerWaalsContact O-CD1 3.28Å; A120-I124 WeakPolarHBondContact O-CD1 3.39Å; A120-I124 WeakPolarHBondContact O-CG1 3.48Å; A120-I124 PolarHBondContact O-N 3.5Å; A121-I124 WeakPolarHBondContact O-CB 3.26Å; A121-I124 PolarHBondContact O-N 3Å; I124-R126 PolarHBondContact O-N 3.35Å; I124-R126 VanDerWaalsContact O-N 3.09Å; I124-L127 VanDerWaalsContact O-CB 3.31Å; I124-L127 WeakPolarHBondContact O-CB 3.43Å; I124-L127 PolarHBondContact O-N 3.46Å; I124-L201 HydrophobicContact CD1-CD2 4.31Å; I124-L201 HydrophobicContact CG1-CD1 3.75Å; I124-L201 HydrophobicContact CG1-CD2 3.79Å; I124-L201 HydrophobicContact CG1-CG 4.44Å
125E78.9Confident75.9Confident93 Ų9361.7 Ų61.744%0.43531%0.306SS..THydrogen-bonded Turntrans-60.5-18176.1-73.5173.2-164.400113.3T94 A121 K123 L127T94-E125 HydrophobicContact CG2-CG 4.06Å; T94-E125 WeakPolarHBondContact CG2-OE1 3.47Å; A121-E125 WeakPolarHBondContact O-CG 3.43Å; A121-E125 PolarHBondContact O-N 3.5Å; A121-E125 VanDerWaalsContact O-N 3.07Å; K123-E125 VanDerWaalsContact C-N 3.33Å; K123-E125 PolarHBondContact O-N 3.32Å; E125-L127 VanDerWaalsContact C-N 3.34Å
126R84.7Confident77.8Confident103 Ų10362.2 Ų62.239%0.38931%0.31SS..THydrogen-bonded Turntrans-80.6-15.1174.9-55.9175.8-174.2-166.6-0.7112.7A122 K123 I124 T128 R157A122-R126 WeakPolarHBondContact O-CG 3.4Å; K123-R126 VanDerWaalsContact O-CB 3.28Å; K123-R126 WeakPolarHBondContact O-CB 2.99Å; K123-R126 PolarHBondContact O-N 3.46Å; K123-R126 VanDerWaalsContact O-N 3.09Å; I124-R126 PolarHBondContact O-N 3.35Å; I124-R126 VanDerWaalsContact O-N 3.09Å; R126-T128 PolarHBondContact O-N 2.94Å; R126-R157 WeakPolarHBondContact O-CB 3.48Å; R126-R157 PolarHBondContact O-N 2.98Å
127L85.5Confident79.4Confident0 Ų058.3 Ų58.30%029%0.29CS..EExtended strand (participates in β ladder)trans-71.6127.9178.1-68172.6000110.2M91 I124 E125 I154 V196 L199 L201M91-L127 HydrophobicContact CB-CB 3.92Å; M91-L127 HydrophobicContact CG-CB 3.89Å; M91-L127 PolarHBondContact N-O 3.23Å; I124-L127 VanDerWaalsContact O-CB 3.31Å; I124-L127 WeakPolarHBondContact O-CB 3.43Å; I124-L127 PolarHBondContact O-N 3.46Å; E125-L127 VanDerWaalsContact C-N 3.34Å; L127-I154 HydrophobicContact CD2-CG2 4.42Å; L127-V196 HydrophobicContact CD1-CG1 4.02Å; L127-L199 HydrophobicContact CD2-CD1 3.53Å; L127-L199 HydrophobicContact CG-CD1 3.8Å; L127-L201 HydrophobicContact CD1-CD1 4.1Å
128T85.4Confident80.9Confident12 Ų1259.3 Ų59.37%0.07429%0.29CS..EExtended strand (participates in β ladder)trans-129.6136.3-179.7-58.10000109.2D88 H89 R126 I154 C155D88-T128 HydrophobicContact CB-CG2 3.65Å; H89-T128 CarbonylContact O-C 3.56Å; H89-T128 WeakPolarHBondContact O-CA 3.38Å; R126-T128 PolarHBondContact O-N 2.94Å; T128-I154 WeakPolarHBondContact O-CA 3.37Å; T128-C155 PolarHBondContact N-O 2.86Å; T128-C155 PolarHBondContact O-N 2.97Å
129Y85.1Confident82.1Confident51 Ų5156.3 Ų56.320%0.228%0.275CS..EExtended strand (participates in β ladder)trans-94.8121.6169.9178.5-126.4000109.8D88 H89 M91 Q131 M153 I154D88-Y129 CarbonylContact C-O 3.48Å; D88-Y129 WeakPolarHBondContact CA-O 3.44Å; H89-Y129 PolarHBondContact N-O 3.26Å; H89-Y129 PolarHBondContact O-N 3.43Å; M91-Y129 HydrophobicContact CE-CG 4.42Å; Y129-Q131 HydrophobicContact CD1-CB 3.99Å; Y129-Q131 HydrophobicContact CE1-CB 3.59Å; Y129-Q131 HydrophobicContact CE1-CG 3.78Å; Y129-M153 CarbonylContact C-O 3.57Å; Y129-M153 WeakPolarHBondContact CA-O 3.11Å; Y129-M153 WeakPolarHBondContact CD2-O 3.37Å; Y129-I154 HydrophobicContact CD2-CD1 4.42Å; Y129-I154 HydrophobicContact CD2-CG1 3.67Å; Y129-I154 HydrophobicContact CE2-CG1 4.48Å; Y129-I154 HydrophobicContact CG-CG1 4.44Å
130I85Confident82.7Confident7 Ų753.2 Ų53.24%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-95.2105177.4-60.7-165.4000108.4R132 G152 M153 C160 V162I130-R132 HydrophobicContact CG2-CB 4.31Å; I130-R132 HydrophobicContact CG2-CG 3.84Å; I130-G152 PolarHBondContact O-N 2.87Å; I130-M153 HydrophobicContact CB-CB 4.49Å; I130-M153 HydrophobicContact CD1-CE 3.82Å; I130-M153 PolarHBondContact N-O 3.26Å; I130-M153 PolarHBondContact O-N 2.01Å; I130-C160 WeakPolarHBondContact CD1-SG 3.29Å; I130-V162 HydrophobicContact CD1-CG2 3.99Å
131Q84.6Confident83.2Confident52 Ų5258.1 Ų58.124%0.24330%0.301CS..  trans-108.956.4-179.7-163178-14.800111.3F86 Y129 L150F86-Q131 CarbonylContact C-O 3.57Å; F86-Q131 VanDerWaalsContact CA-O 3.26Å; F86-Q131 WeakPolarHBondContact CA-O 3.24Å; F86-Q131 WeakPolarHBondContact CD1-O 3.24Å; Y129-Q131 HydrophobicContact CD1-CB 3.99Å; Y129-Q131 HydrophobicContact CE1-CB 3.59Å; Y129-Q131 HydrophobicContact CE1-CG 3.78Å; Q131-L150 HydrophobicContact CG-CD1 3.96Å; Q131-L150 HydrophobicContact CG-CD2 4.29Å
132R85.3Confident83.3Confident78 Ų7860.7 Ų60.729%0.29432%0.315SS..  trans-93.5154.3178.1-63.8172.4-173.4-164.43.7110.4H19 D88 I130 L150 T151H19-R132 WeakPolarHBondContact O-CD 3.45Å; D88-R132 IonicContact OD1-CZ 2.98Å; D88-R132 IonicContact OD1-NE 3.35Å; D88-R132 PolarHBondContact OD1-NE 3.31Å; D88-R132 IonicContact OD1-NH2 3.51Å; D88-R132 PolarHBondContact OD1-NH2 3.26Å; D88-R132 IonicContact OD2-CZ 3.34Å; D88-R132 IonicContact OD2-NE 2.71Å; D88-R132 IonicContact OD2-NH2 3.62Å; D88-R132 PolarHBondContact OD2-NH2 3.5Å; I130-R132 HydrophobicContact CG2-CB 4.31Å; I130-R132 HydrophobicContact CG2-CG 3.84Å; R132-L150 CarbonylContact O-C 3.59Å; R132-L150 VanDerWaalsContact O-CA 3.24Å; R132-L150 WeakPolarHBondContact O-CA 3.43Å; R132-T151 PolarHBondContact O-N 3.09Å; R132-T151 PolarHBondContact O-OG1 3.15Å
133L87.3Confident83Confident7 Ų760.6 Ų60.64%0.03731%0.311CS..BIsolated β-bridgetrans-71.8128.3167.7-71.2167.9000109.5A16 G20 L22 F86 P137 F148 L149 L150A16-L133 HydrophobicContact CB-CB 3.98Å; A16-L133 HydrophobicContact CB-CD1 3.96Å; G20-L133 VanDerWaalsContact CA-O 3.25Å; G20-L133 WeakPolarHBondContact CA-O 3.41Å; G20-L133 WeakPolarHBondContact O-CB 3.45Å; G20-L133 PolarHBondContact O-N 3.1Å; L22-L133 HydrophobicContact CB-CD1 3.84Å; L22-L133 HydrophobicContact CD1-CD1 3.82Å; L22-L133 HydrophobicContact CG-CD1 4.44Å; F86-L133 HydrophobicContact CD1-CD1 4.43Å; F86-L133 HydrophobicContact CD1-CD2 4.46Å; F86-L133 HydrophobicContact CD1-CG 3.91Å; F86-L133 HydrophobicContact CE1-CD1 4.15Å; F86-L133 HydrophobicContact CE1-CD2 3.84Å; F86-L133 HydrophobicContact CE1-CG 3.72Å; L133-P137 HydrophobicContact CD1-CG 4.36Å; L133-F148 HydrophobicContact CD2-CB 4.1Å; L133-F148 HydrophobicContact CD2-CD1 4.14Å; L133-L149 CarbonylContact C-O 3.58Å; L133-L149 VanDerWaalsContact CA-O 3.31Å; L133-L149 WeakPolarHBondContact CA-O 3.21Å; L133-L150 HydrophobicContact CD2-CD2 3.94Å
134F83.7Confident83.1Confident111 Ų11164.7 Ų64.749%0.48733%0.331SS..SBendtrans-72.7-36.5172.3-178.1-97.6000111.4L149F134-L149 HydrophobicContact CB-CB 4.29Å; F134-L149 PolarHBondContact N-O 3.32Å
135E85.7Confident83.7Confident54 Ų5465.8 Ų65.825%0.25234%0.338SS..SBendtrans-146.6171.9177.557.7171.3-161.700110.5K138 L149E135-K138 WeakPolarHBondContact OE1-CD 3.44Å; E135-K138 WeakPolarHBondContact OE1-CE 3.25Å; E135-K138 IonicContact OE1-NZ 2.63Å; E135-K138 PolarHBondContact OE1-NZ 3.36Å; E135-K138 WeakPolarHBondContact OE2-CE 3.26Å; E135-K138 IonicContact OE2-NZ 2.9Å; E135-K138 PolarHBondContact OE2-NZ 3.23Å; E135-L149 VanDerWaalsContact CD-CD1 3.49Å; E135-L149 HydrophobicContact CG-CB 4.06Å; E135-L149 HydrophobicContact CG-CD1 3.81Å; E135-L149 HydrophobicContact CG-CG 4.1Å; E135-L149 WeakPolarHBondContact OE1-CD1 3.47Å
136A87.9Confident84.2Confident52 Ų5263.7 Ų63.743%0.4334%0.337SS..PPolyproline II helixtrans-61.3145.9175.100000111.3K138A136-K138 PolarHBondContact O-N 3.19Å
137P89.8Confident84.4Confident11 Ų1161.6 Ų61.67%0.07133%0.333CS..PPolyproline II helixtrans-57.3136.6178.2-24.134.3000112.2L14 L22 L133 F139 N147 F148L14-P137 HydrophobicContact CB-CG 4.17Å; L22-P137 HydrophobicContact CD1-CG 3.72Å; L133-P137 HydrophobicContact CD1-CG 4.36Å; P137-F139 HydrophobicContact CB-CE2 4.18Å; P137-F139 HydrophobicContact CB-CZ 4.33Å; P137-N147 VanDerWaalsContact CA-O 3.28Å; P137-N147 WeakPolarHBondContact CA-O 3.4Å; P137-F148 HydrophobicContact CB-CD1 4.03Å; P137-F148 HydrophobicContact CB-CE1 3.89Å; P137-F148 HydrophobicContact CB-CZ 4.31Å; P137-F148 HydrophobicContact CG-CD1 3.77Å; P137-F148 HydrophobicContact CG-CE1 3.66Å
138K88.3Confident84.6Confident107 Ų10765.1 Ų65.147%0.46535%0.349SS..EExtended strand (participates in β ladder)trans-102.4129.7178.8-72.4174.4175.3157.20110.1E135 A136 N147E135-K138 WeakPolarHBondContact OE1-CD 3.44Å; E135-K138 WeakPolarHBondContact OE1-CE 3.25Å; E135-K138 IonicContact OE1-NZ 2.63Å; E135-K138 PolarHBondContact OE1-NZ 3.36Å; E135-K138 WeakPolarHBondContact OE2-CE 3.26Å; E135-K138 IonicContact OE2-NZ 2.9Å; E135-K138 PolarHBondContact OE2-NZ 3.23Å; A136-K138 PolarHBondContact O-N 3.19Å; K138-N147 HydrophobicContact CB-CB 4.33Å; K138-N147 PolarHBondContact N-O 2.81Å; K138-N147 PolarHBondContact O-N 2.66Å
139F86.5Confident84.7Confident124 Ų12466.6 Ų66.654%0.54436%0.356SS..EExtended strand (participates in β ladder)trans-108.3124.6176.8-58.9-90.2000109.3L14 P137 T145 A146L14-F139 HydrophobicContact CB-CE2 4.37Å; L14-F139 HydrophobicContact CB-CZ 4.02Å; L14-F139 HydrophobicContact CD1-CZ 3.91Å; L14-F139 HydrophobicContact CG-CZ 4.11Å; P137-F139 HydrophobicContact CB-CE2 4.18Å; P137-F139 HydrophobicContact CB-CZ 4.33Å; F139-T145 WeakPolarHBondContact CA-O 3.47Å; F139-A146 HydrophobicContact CD1-CB 3.74Å; F139-A146 HydrophobicContact CE1-CB 3.68Å
140V82.1Confident84.8Confident68 Ų6866.9 Ų66.941%0.41236%0.36SS..EExtended strand (participates in β ladder)trans-113.4135.4176.5-1700000107.4P143 Q144 T145V140-P143 CarbonylContact C-O 3.45Å; V140-Q144 CarbonylContact O-C 3.52Å; V140-Q144 VanDerWaalsContact O-CA 3.24Å; V140-Q144 WeakPolarHBondContact O-CA 3.38Å; V140-T145 PolarHBondContact N-O 3.27Å; V140-T145 PolarHBondContact O-N 3.2Å
141S77.6Confident84.7Confident106 Ų10668.4 Ų68.474%0.74137%0.37SS*.EExtended strand (participates in β ladder)trans-83.9-22.8-176.1500000113.6Q144S141-Q144 VanDerWaalsContact O-CG 3.24Å; S141-Q144 WeakPolarHBondContact O-CG 3.24Å; S141-Q144 PolarHBondContact O-N 2.77Å
142S72Confident84.7Confident103 Ų10366.1 Ų66.172%0.7236%0.361SS*.THydrogen-bonded Turntrans-143.8106.5178.9-171.90000111.3
143P71.5Confident84.7Confident49 Ų4963.4 Ų63.432%0.31835%0.352SS..THydrogen-bonded Turncis-65.7148.6-10.229.1-33.4000111.7V140 T145V140-P143 CarbonylContact C-O 3.45Å; P143-T145 HydrophobicContact CB-CG2 4.11Å; P143-T145 HydrophobicContact CG-CG2 3.92Å; P143-T145 WeakPolarHBondContact O-CG2 3.48Å; P143-T145 PolarHBondContact O-N 3.24Å; P143-T145 PolarHBondContact O-OG1 3.37Å
144Q83.2Confident84.7Confident160 Ų16063.9 Ų63.975%0.74835%0.354SS*.EExtended strand (participates in β ladder)trans-60100.6175.2-76.7-171.7-10.300110.3V140 S141V140-Q144 CarbonylContact O-C 3.52Å; V140-Q144 VanDerWaalsContact O-CA 3.24Å; V140-Q144 WeakPolarHBondContact O-CA 3.38Å; S141-Q144 VanDerWaalsContact O-CG 3.24Å; S141-Q144 WeakPolarHBondContact O-CG 3.24Å; S141-Q144 PolarHBondContact O-N 2.77Å
145T87.7Confident84.9Confident33 Ų3359 Ų5920%0.20233%0.334CS..EExtended strand (participates in β ladder)trans-141.4144.4-172.252.80000110.4F139 V140 P143 V173F139-T145 WeakPolarHBondContact CA-O 3.47Å; V140-T145 PolarHBondContact N-O 3.27Å; V140-T145 PolarHBondContact O-N 3.2Å; P143-T145 HydrophobicContact CB-CG2 4.11Å; P143-T145 HydrophobicContact CG-CG2 3.92Å; P143-T145 WeakPolarHBondContact O-CG2 3.48Å; P143-T145 PolarHBondContact O-N 3.24Å; P143-T145 PolarHBondContact O-OG1 3.37Å; T145-V173 HydrophobicContact CG2-CB 4.5Å; T145-V173 HydrophobicContact CG2-CG2 3.79Å
146A88.8Confident84.9Confident49 Ų4957.5 Ų57.541%0.40533%0.328SS..EExtended strand (participates in β ladder)trans-115.8113.4173.100000108.3F139 F148F139-A146 HydrophobicContact CD1-CB 3.74Å; F139-A146 HydrophobicContact CE1-CB 3.68Å; A146-F148 HydrophobicContact CB-CE2 3.79Å; A146-F148 HydrophobicContact CB-CZ 4.48Å
147N88.9Confident84.6Confident59 Ų5964.5 Ų64.532%0.31634%0.343SS..EExtended strand (participates in β ladder)trans-100125.2-174.9-60.5-49.5000109.8P137 K138P137-N147 VanDerWaalsContact CA-O 3.28Å; P137-N147 WeakPolarHBondContact CA-O 3.4Å; K138-N147 HydrophobicContact CB-CB 4.33Å; K138-N147 PolarHBondContact N-O 2.81Å; K138-N147 PolarHBondContact O-N 2.66Å
148F89.4Confident84.1Confident75 Ų7569.9 Ų69.933%0.32937%0.367SS..  trans-115.7104.4177.5-63.8-99.8000108.4L14 L22 F86 L133 P137 A146 L150L14-F148 HydrophobicContact CD1-CE1 4.15Å; L14-F148 HydrophobicContact CD1-CZ 3.92Å; L22-F148 HydrophobicContact CD1-CE1 4.05Å; L22-F148 HydrophobicContact CD2-CE1 4.13Å; F86-F148 HydrophobicContact CZ-CD1 4.49Å; L133-F148 HydrophobicContact CD2-CB 4.1Å; L133-F148 HydrophobicContact CD2-CD1 4.14Å; P137-F148 HydrophobicContact CB-CD1 4.03Å; P137-F148 HydrophobicContact CB-CE1 3.89Å; P137-F148 HydrophobicContact CB-CZ 4.31Å; P137-F148 HydrophobicContact CG-CD1 3.77Å; P137-F148 HydrophobicContact CG-CE1 3.66Å; A146-F148 HydrophobicContact CB-CE2 3.79Å; A146-F148 HydrophobicContact CB-CZ 4.48Å; F148-L150 PolarHBondContact O-N 2.83Å
149L88Confident83.7Confident43 Ų4371.7 Ų71.723%0.22538%0.377CS..  trans-83.1112.5176.8-60.8-162.6000109.6L133 F134 E135 I169L133-L149 CarbonylContact C-O 3.58Å; L133-L149 VanDerWaalsContact CA-O 3.31Å; L133-L149 WeakPolarHBondContact CA-O 3.21Å; F134-L149 HydrophobicContact CB-CB 4.29Å; F134-L149 PolarHBondContact N-O 3.32Å; E135-L149 VanDerWaalsContact CD-CD1 3.49Å; E135-L149 HydrophobicContact CG-CB 4.06Å; E135-L149 HydrophobicContact CG-CD1 3.81Å; E135-L149 HydrophobicContact CG-CG 4.1Å; E135-L149 WeakPolarHBondContact OE1-CD1 3.47Å; L149-I169 HydrophobicContact CD2-CB 4.4Å; L149-I169 HydrophobicContact CD2-CD1 3.36Å; L149-I169 HydrophobicContact CD2-CG1 3.92Å
150L86.8Confident83.3Confident56 Ų5667.6 Ų67.629%0.29336%0.363SS..BIsolated β-bridgetrans-99.8145.3179.4-56.8175000110.5F86 Q131 R132 L133 F148 G152F86-L150 HydrophobicContact CD1-CD2 3.94Å; F86-L150 HydrophobicContact CE1-CD2 3.6Å; Q131-L150 HydrophobicContact CG-CD1 3.96Å; Q131-L150 HydrophobicContact CG-CD2 4.29Å; R132-L150 CarbonylContact O-C 3.59Å; R132-L150 VanDerWaalsContact O-CA 3.24Å; R132-L150 WeakPolarHBondContact O-CA 3.43Å; L133-L150 HydrophobicContact CD2-CD2 3.94Å; F148-L150 PolarHBondContact O-N 2.83Å; L150-G152 VanDerWaalsContact C-N 3.34Å
151T83.8Confident82.7Confident39 Ų3975.4 Ų75.424%0.23939%0.385CS..  trans-63.2-42.3173.1-34.60000111.3R132 V162R132-T151 PolarHBondContact O-N 3.09Å; R132-T151 PolarHBondContact O-OG1 3.15Å; T151-V162 HydrophobicContact CG2-CG1 3.75Å
152G83.8Confident82Confident5 Ų574 Ų745%0.05237%0.372CS..  trans56.754.117300000113.9I130 L150 V188I130-G152 PolarHBondContact O-N 2.87Å; L150-G152 VanDerWaalsContact C-N 3.34Å; G152-V188 WeakPolarHBondContact O-CB 3.34Å; G152-V188 WeakPolarHBondContact O-CG1 3.19Å; G152-V188 WeakPolarHBondContact O-CG2 3.38Å
153M85.8Confident81.3Confident21 Ų2171.2 Ų71.210%0.10336%0.36CS..EExtended strand (participates in β ladder)trans-114.9138.4-177.1-174177.460.300111.3Y129 I130 C155 C160 V162 T191Y129-M153 CarbonylContact C-O 3.57Å; Y129-M153 WeakPolarHBondContact CA-O 3.11Å; Y129-M153 WeakPolarHBondContact CD2-O 3.37Å; I130-M153 HydrophobicContact CB-CB 4.49Å; I130-M153 HydrophobicContact CD1-CE 3.82Å; I130-M153 PolarHBondContact N-O 3.26Å; I130-M153 PolarHBondContact O-N 2.01Å; M153-C155 HydrophobicContact CE-CB 4.4Å; M153-C160 WeakPolarHBondContact CE-SG 3.41Å; M153-V162 HydrophobicContact CE-CB 4.01Å; M153-V162 HydrophobicContact CE-CG1 4.23Å; M153-V162 HydrophobicContact CE-CG2 3.66Å; M153-T191 HydrophobicContact CG-CG2 3.82Å
154I86.5Confident80.4Confident17 Ų1774 Ų749%0.08738%0.381CS..EExtended strand (participates in β ladder)trans-106.9127.8168.9-60.7167000108.3M91 F105 L127 T128 Y129 T191 F192 S195M91-I154 HydrophobicContact CG-CG2 4.37Å; M91-I154 HydrophobicContact SD-CD1 3.96Å; M91-I154 HydrophobicContact SD-CG1 4.09Å; M91-I154 HydrophobicContact SD-CG2 4.22Å; F105-I154 HydrophobicContact CZ-CD1 4.49Å; L127-I154 HydrophobicContact CD2-CG2 4.42Å; T128-I154 WeakPolarHBondContact O-CA 3.37Å; Y129-I154 HydrophobicContact CD2-CD1 4.42Å; Y129-I154 HydrophobicContact CD2-CG1 3.67Å; Y129-I154 HydrophobicContact CE2-CG1 4.48Å; Y129-I154 HydrophobicContact CG-CG1 4.44Å; I154-T191 PolarHBondContact N-OG1 2.86Å; I154-T191 CarbonylContact O-C 3.54Å; I154-T191 WeakPolarHBondContact O-CB 3.25Å; I154-T191 VanDerWaalsContact O-O 3.09Å; I154-F192 HydrophobicContact CB-CB 4.08Å; I154-F192 HydrophobicContact CB-CD2 4.48Å; I154-F192 HydrophobicContact CD1-CB 3.77Å; I154-F192 HydrophobicContact CD1-CD2 4.03Å; I154-F192 HydrophobicContact CD1-CG 4.17Å; I154-F192 HydrophobicContact CG1-CB 4.46Å; I154-F192 HydrophobicContact CG2-CB 4.42Å; I154-F192 HydrophobicContact CG2-CD2 3.95Å; I154-S195 PolarHBondContact O-OG 3.18Å
155C87.9Confident78.9Confident9 Ų970.9 Ų70.96%0.06138%0.376CS..EExtended strand (participates in β ladder)trans-144.7161.8-175.962.80000112.8T128 M153 R157 C160 S195T128-C155 PolarHBondContact N-O 2.86Å; T128-C155 PolarHBondContact O-N 2.97Å; M153-C155 HydrophobicContact CE-CB 4.4Å; C155-R157 PolarHBondContact O-N 3.16Å; C155-C160 HydrophobicContact CB-CB 3.73Å; C155-C160 WeakPolarHBondContact CB-SG 3.44Å; C155-C160 WeakPolarHBondContact SG-CB 3.48Å; C155-C160 CovalentContact SG-SG 2.01Å; C155-C160 PolarHBondContact SG-SG 3.18Å; C155-S195 WeakPolarHBondContact CA-OG 3.41Å
156N87.5Confident77.5Confident22 Ų2271.7 Ų71.712%0.11839%0.392CS..EExtended strand (participates in β ladder)trans-70.6122.5162.7176.4-6.7000109.1Q158 H159 C160N156-Q158 PolarHBondContact O-N 3.42Å; N156-Q158 PolarHBondContact OD1-N 2.64Å; N156-Q158 VanDerWaalsContact OD1-N 3.09Å; N156-H159 CarbonylContact O-C 3.6Å; N156-H159 PolarHBondContact O-N 3.3Å; N156-C160 PolarHBondContact O-N 3.1Å; N156-C160 VanDerWaalsContact O-N 3.15Å
157R79.8Confident76Confident198 Ų19872.1 Ų72.175%0.74739%0.389SS*.THydrogen-bonded Turntrans-49.5-30.7-178.8-169.5174.5177.8-178.2-0.1113.9R126 C155R126-R157 WeakPolarHBondContact O-CB 3.48Å; R126-R157 PolarHBondContact O-N 2.98Å; C155-R157 PolarHBondContact O-N 3.16Å
158Q80.2Confident74.7Confident125 Ų12580.9 Ų80.958%0.58442%0.418SS*.THydrogen-bonded Turntrans-82.4-23.1-179.9-68.1177.9-27.800113.7N156N156-Q158 PolarHBondContact O-N 3.42Å; N156-Q158 PolarHBondContact OD1-N 2.64Å; N156-Q158 VanDerWaalsContact OD1-N 3.09Å
159H79.1Confident73.3Confident144 Ų14480.6 Ų80.667%0.66742%0.419SS*.SBendtrans-130.230-168.3-64.262000111.8N156 R161N156-H159 CarbonylContact O-C 3.6Å; N156-H159 PolarHBondContact O-N 3.3Å; H159-R161 PolarHBondContact O-N 2.87Å
160C78.2Confident72.3Confident39 Ų3981.5 Ų81.526%0.26443%0.427SS..  trans-82.6102.2-173.9-160.30000111.2I130 M153 C155 N156I130-C160 WeakPolarHBondContact CD1-SG 3.29Å; M153-C160 WeakPolarHBondContact CE-SG 3.41Å; C155-C160 HydrophobicContact CB-CB 3.73Å; C155-C160 WeakPolarHBondContact CB-SG 3.44Å; C155-C160 WeakPolarHBondContact SG-CB 3.48Å; C155-C160 CovalentContact SG-SG 2.01Å; C155-C160 PolarHBondContact SG-SG 3.18Å; N156-C160 PolarHBondContact O-N 3.1Å; N156-C160 VanDerWaalsContact O-N 3.15Å
161R70.8Confident71.3Confident232 Ų23287 Ų8788%0.87546%0.457SS*.  trans-95.1104.9167.6-68.6-173-179.2-173.21.2108.3H159 G163H159-R161 PolarHBondContact O-N 2.87Å; R161-G163 PolarHBondContact O-N 3.4Å
162V62.7Low70.9Confident75 Ų7589.8 Ų89.846%0.45547%0.474SS..  trans-6898.6173.9-1720000107.8I130 T151 M153I130-V162 HydrophobicContact CD1-CG2 3.99Å; T151-V162 HydrophobicContact CG2-CG1 3.75Å; M153-V162 HydrophobicContact CE-CB 4.01Å; M153-V162 HydrophobicContact CE-CG1 4.23Å; M153-V162 HydrophobicContact CE-CG2 3.66Å
163G57.3Low70.6Confident46 Ų4690.7 Ų90.747%0.47448%0.478SS..  trans-68.5150.5173.800000111.2R161 S165R161-G163 PolarHBondContact O-N 3.4Å; G163-S165 VanDerWaalsContact C-N 3.34Å
164S51.2Low70.5Confident108 Ų10895 Ų9576%0.75550%0.496SS*.  trans-89.311.1-178.740.70000114G166S164-G166 PolarHBondContact O-N 3.13Å
165S53.7Low70.5Confident93 Ų9394.7 Ų94.765%0.6550%0.497SS*.  trans-75.590-178.562.10000110.9G163 V167G163-S165 VanDerWaalsContact C-N 3.34Å; S165-V167 PolarHBondContact O-N 3.36Å
166G56.4Low70.5Confident51 Ų51101.1 Ų101.153%0.52652%0.523SS..  trans-67.3112.6167.600000109.6S164 R168S164-G166 PolarHBondContact O-N 3.13Å; G166-R168 PolarHBondContact O-N 3.49Å
167V57.5Low70.5Confident58 Ų58105.6 Ų105.635%0.35255%0.547SS..  trans-66.6133.8171.2178.10000108.2S165 I169 S185 D187S165-V167 PolarHBondContact O-N 3.36Å; V167-I169 PolarHBondContact O-N 3.1Å; V167-S185 WeakPolarHBondContact CG1-OG 3.42Å; V167-S185 VanDerWaalsContact CG2-CB 3.48Å; V167-S185 WeakPolarHBondContact CG2-OG 3.34Å; V167-D187 HydrophobicContact CG2-CB 3.95Å; V167-D187 WeakPolarHBondContact CG2-OD2 3.22Å
168R61.9Low71Confident242 Ų24298.3 Ų98.391%0.91352%0.521SS*.  trans-63.6101.8175-74.2-176.8179.5-1800.3109.5G166G166-R168 PolarHBondContact O-N 3.49Å
169I61Low71.5Confident69 Ų6998.6 Ų98.635%0.35452%0.524SS..  trans-71.2139170.4-53.4-149.4000108.3L149 V167 N171 Y183L149-I169 HydrophobicContact CD2-CB 4.4Å; L149-I169 HydrophobicContact CD2-CD1 3.36Å; L149-I169 HydrophobicContact CD2-CG1 3.92Å; V167-I169 PolarHBondContact O-N 3.1Å; I169-N171 PolarHBondContact O-N 2.75Å; I169-Y183 HydrophobicContact CG2-CD2 4.17Å; I169-Y183 HydrophobicContact CG2-CG 4.4Å
170P66.2Low72Confident62 Ų6294.6 Ų94.640%0.40351%0.507SS..  trans-54.8129.8175.5-23.232.2000111.1V172 Y183P170-V172 PolarHBondContact O-N 3.13Å; P170-V172 VanDerWaalsContact O-N 3.1Å; P170-Y183 HydrophobicContact CG-CD1 4.03Å; P170-Y183 HydrophobicContact CG-CE1 3.92Å
171N66Low72.6Confident172 Ų17294.6 Ų94.692%0.9251%0.505SS*.SBendtrans-67-8.5177.1-71.4-19.8000113.2I169I169-N171 PolarHBondContact O-N 2.75Å
172V74.5Confident73.5Confident98 Ų9886.7 Ų86.759%0.59448%0.479SS*.SBendtrans-117.8121.8-174.7-173.60000109.7P170 K174P170-V172 PolarHBondContact O-N 3.13Å; P170-V172 VanDerWaalsContact O-N 3.1Å; V172-K174 PolarHBondContact O-N 3.09Å
173V79.3Confident74.8Confident23 Ų2385 Ų8514%0.13947%0.465CS..  trans-66.3121.2170177.70000109.4T145 K176 N181T145-V173 HydrophobicContact CG2-CB 4.5Å; T145-V173 HydrophobicContact CG2-CG2 3.79Å; V173-K176 HydrophobicContact CG1-CG 4.37Å; V173-N181 HydrophobicContact CG1-CB 4.33Å
174K82.3Confident76.3Confident111 Ų11184.6 Ų84.648%0.48345%0.453SS..SBendtrans-82-49.9-170.7-154.6-179.3-177-168.10113.1V172 K176 Y183 E368 H370 F375V172-K174 PolarHBondContact O-N 3.09Å; K174-K176 PolarHBondContact O-N 3.48Å; K174-Y183 PolarHBondContact N-OH 3.03Å; K174-E368 WeakPolarHBondContact CD-OE1 3.37Å; K174-E368 WeakPolarHBondContact CE-OE1 3.48Å; K174-E368 IonicContact NZ-OE1 3.05Å; K174-E368 PolarHBondContact NZ-OE1 2.85Å; K174-E368 IonicContact NZ-OE2 2.85Å; K174-H370 PolarHBondContact NZ-CE1 3.43Å; K174-H370 PolarHBondContact NZ-NE2 2.8Å; K174-H370 VanDerWaalsContact NZ-NE2 3.16Å; K174-F375 HydrophobicContact CB-CE1 4.18Å; K174-F375 HydrophobicContact CB-CE2 4.3Å; K174-F375 HydrophobicContact CB-CZ 3.85Å; K174-F375 HydrophobicContact CD-CD1 4.35Å; K174-F375 HydrophobicContact CD-CE1 4.23Å
175A87.2Confident78.1Confident12 Ų1280 Ų8010%0.09942%0.421CS..  trans-101.280.2177.200000109.7D177 K178 N181 F375 A377A175-D177 PolarHBondContact O-N 2.69Å; A175-K178 HydrophobicContact CB-CB 4.04Å; A175-K178 HydrophobicContact CB-CG 3.7Å; A175-K178 PolarHBondContact O-N 3.16Å; A175-K178 VanDerWaalsContact O-N 3.13Å; A175-N181 PolarHBondContact N-OD1 3.05Å; A175-N181 PolarHBondContact O-ND2 3.49Å; A175-N181 PolarHBondContact O-OD1 3.27Å; A175-F375 HydrophobicContact CB-CE1 4.25Å; A175-F375 HydrophobicContact CB-CZ 3.73Å; A175-A377 HydrophobicContact CB-CB 3.68Å
176K87.1Confident79.8Confident143 Ų14376.9 Ų76.962%0.62240%0.397SS*.THydrogen-bonded Turntrans-66.7-18.3-178.9-62.9-178.8-177.1176.70113.1V173 K174 K178V173-K176 HydrophobicContact CG1-CG 4.37Å; K174-K176 PolarHBondContact O-N 3.48Å; K176-K178 VanDerWaalsContact C-N 3.32Å
177D89.1Confident81.3Confident116 Ų11677.8 Ų77.862%0.6239%0.39SS*.THydrogen-bonded Turntrans-82.7-7.1175.667.1-58.7000113.3A175A175-D177 PolarHBondContact O-N 2.69Å
178K89.9Confident82.7Confident46 Ų4676.2 Ų76.220%0.238%0.38CS..SBendtrans-104.8144.4-178.1-60.3-58.1-179.5-146.80112.7A175 K176 A377 D379A175-K178 HydrophobicContact CB-CB 4.04Å; A175-K178 HydrophobicContact CB-CG 3.7Å; A175-K178 PolarHBondContact O-N 3.16Å; A175-K178 VanDerWaalsContact O-N 3.13Å; K176-K178 VanDerWaalsContact C-N 3.32Å; K178-A377 HydrophobicContact CB-CB 4.03Å; K178-A377 HydrophobicContact CG-CB 3.91Å; K178-D379 WeakPolarHBondContact CA-OD1 3.42Å; K178-D379 WeakPolarHBondContact CD-OD1 3.46Å; K178-D379 IonicContact NZ-OD2 2.64Å; K178-D379 PolarHBondContact NZ-OD2 3.41Å
179M89.7Confident83.9Confident130 Ų13065.5 Ų65.564%0.6434%0.343SS*.SBendtrans-66.9-41.7-180-67.2-17274.600113.5F378 D379 L380M179-F378 PolarHBondContact N-O 3.41Å; M179-D379 PolarHBondContact N-OD1 2.87Å; M179-L380 HydrophobicContact SD-CB 4.33Å; M179-L380 VanDerWaalsContact SD-O 3.34Å
180I90Very high85.3Confident61 Ų6164.4 Ų64.431%0.31334%0.337SS..EExtended strand (participates in β ladder)trans-119.3134.3177.4-65-153.5000110.1L182 A377 F378 L380I180-L182 HydrophobicContact CG2-CB 4.4Å; I180-A377 WeakPolarHBondContact O-CA 3.46Å; I180-F378 HydrophobicContact CB-CD2 4.08Å; I180-F378 HydrophobicContact CB-CE1 4.3Å; I180-F378 HydrophobicContact CB-CE2 3.68Å; I180-F378 HydrophobicContact CB-CZ 3.81Å; I180-F378 HydrophobicContact CD1-CE2 3.97Å; I180-F378 HydrophobicContact CD1-CZ 4.24Å; I180-F378 HydrophobicContact CG1-CE2 4.07Å; I180-F378 HydrophobicContact CG1-CZ 4.47Å; I180-F378 HydrophobicContact CG2-CE1 3.86Å; I180-F378 HydrophobicContact CG2-CE2 3.92Å; I180-F378 HydrophobicContact CG2-CZ 3.48Å; I180-F378 VanDerWaalsContact CG2-CZ 3.48Å; I180-F378 PolarHBondContact N-O 2.93Å; I180-F378 PolarHBondContact O-N 3.06Å; I180-F378 VanDerWaalsContact O-N 3.08Å; I180-L380 HydrophobicContact CD1-CD1 3.24Å; I180-L380 HydrophobicContact CD1-CG 4.28Å; I180-L380 HydrophobicContact CG1-CD1 3.75Å; I180-L380 HydrophobicContact CG1-CG 4.48Å
181N91Very high86.4Confident39 Ų3963.3 Ų63.321%0.20933%0.329CS..EExtended strand (participates in β ladder)trans-120.5111169.2-76.2-110.2000107.2V173 A175 Y183 F375V173-N181 HydrophobicContact CG1-CB 4.33Å; A175-N181 PolarHBondContact N-OD1 3.05Å; A175-N181 PolarHBondContact O-ND2 3.49Å; A175-N181 PolarHBondContact O-OD1 3.27Å; N181-Y183 HydrophobicContact CB-CE2 4.09Å; N181-F375 HydrophobicContact CB-CE2 3.96Å; N181-F375 VanDerWaalsContact OD1-CE2 3.26Å; N181-F375 WeakPolarHBondContact OD1-CE2 3.46Å; N181-F375 VanDerWaalsContact OD1-CZ 3.25Å; N181-F375 WeakPolarHBondContact OD1-CZ 3.45Å
182L89.1Confident87.4Confident65 Ų6557.3 Ų57.334%0.3430%0.295SS..EExtended strand (participates in β ladder)trans-112.3126-179.5172.764.1000109.3I180 V184 F375 L376I180-L182 HydrophobicContact CG2-CB 4.4Å; L182-V184 HydrophobicContact CD1-CG2 4.24Å; L182-V184 HydrophobicContact CD2-CG2 4.2Å; L182-V184 HydrophobicContact CG-CG2 3.97Å; L182-F375 WeakPolarHBondContact O-CA 3.29Å; L182-L376 HydrophobicContact CB-CB 4.23Å; L182-L376 HydrophobicContact CD2-CD1 3.9Å; L182-L376 HydrophobicContact CG-CD1 4.48Å; L182-L376 PolarHBondContact N-O 3.14Å; L182-L376 PolarHBondContact O-N 2.91Å
183Y90.1Very high88.1Confident40 Ų4053.6 Ų53.616%0.15727%0.272CS..EExtended strand (participates in β ladder)trans-112.8121.4174.6-57.9-93.8000108.1I169 P170 K174 N181 F375I169-Y183 HydrophobicContact CG2-CD2 4.17Å; I169-Y183 HydrophobicContact CG2-CG 4.4Å; P170-Y183 HydrophobicContact CG-CD1 4.03Å; P170-Y183 HydrophobicContact CG-CE1 3.92Å; K174-Y183 PolarHBondContact N-OH 3.03Å; N181-Y183 HydrophobicContact CB-CE2 4.09Å; Y183-F375 HydrophobicContact CD1-CB 4.29Å; Y183-F375 AromaticContact CD1-CD2 3.79Å; Y183-F375 HydrophobicContact CD1-CD2 3.79Å; Y183-F375 HydrophobicContact CD1-CG 4.45Å; Y183-F375 HydrophobicContact CE1-CB 4.33Å; Y183-F375 AromaticContact CE1-CD2 3.35Å; Y183-F375 HydrophobicContact CE1-CD2 3.35Å; Y183-F375 AromaticContact CE1-CE2 3.88Å; Y183-F375 HydrophobicContact CE1-CE2 3.88Å; Y183-F375 HydrophobicContact CE1-CG 4.09Å; Y183-F375 HydrophobicContact CE2-CD2 4.23Å; Y183-F375 HydrophobicContact CE2-CE2 4.23Å; Y183-F375 HydrophobicContact CG-CD2 4.38Å; Y183-F375 AromaticContact CZ-CD2 3.61Å; Y183-F375 AromaticContact CZ-CE2 3.65Å
184V88.4Confident88.6Confident37 Ų3755.9 Ų55.922%0.22428%0.281CS..EExtended strand (participates in β ladder)trans-113.1116.2176.2-175.30000107.8L182 V188 S373 V374L182-V184 HydrophobicContact CD1-CG2 4.24Å; L182-V184 HydrophobicContact CD2-CG2 4.2Å; L182-V184 HydrophobicContact CG-CG2 3.97Å; V184-V188 HydrophobicContact CG1-CB 3.87Å; V184-V188 HydrophobicContact CG1-CG1 4.04Å; V184-V188 HydrophobicContact CG1-CG2 3.94Å; V184-S373 CarbonylContact O-C 3.55Å; V184-S373 VanDerWaalsContact O-CA 3.24Å; V184-S373 WeakPolarHBondContact O-CA 3.36Å; V184-V374 HydrophobicContact CB-CG1 3.68Å; V184-V374 HydrophobicContact CG1-CG1 4.44Å; V184-V374 HydrophobicContact CG2-CG1 4.37Å; V184-V374 PolarHBondContact N-O 3.01Å; V184-V374 PolarHBondContact O-N 3.45Å
185S89.2Confident89Confident12 Ų1251 Ų518%0.08426%0.261CS..EExtended strand (participates in β ladder)trans-64.7151.1177.9-177.30000111.8V167 D187 V188 G372V167-S185 WeakPolarHBondContact CG1-OG 3.42Å; V167-S185 VanDerWaalsContact CG2-CB 3.48Å; V167-S185 WeakPolarHBondContact CG2-OG 3.34Å; S185-D187 PolarHBondContact O-N 3.47Å; S185-D187 PolarHBondContact OG-N 3.15Å; S185-D187 VanDerWaalsContact OG-N 3.1Å; S185-V188 WeakPolarHBondContact O-CB 3.39Å; S185-V188 PolarHBondContact O-N 2.92Å; S185-V188 VanDerWaalsContact O-N 3.15Å; S185-G372 WeakPolarHBondContact CA-O 3.41Å; S185-G372 PolarHBondContact OG-O 3.23Å
186D90.2Very high88.9Confident27 Ų2750.6 Ų50.614%0.14426%0.257CS..Hα-helixtrans-61.7-27.7166.543.812.3000112.2V188 A189 Q190 Y257 G372D186-V188 PolarHBondContact O-N 3.13Å; D186-A189 CarbonylContact O-C 3.49Å; D186-A189 PolarHBondContact O-N 3.14Å; D186-Q190 WeakPolarHBondContact O-CB 3.28Å; D186-Q190 PolarHBondContact O-N 3Å; D186-Y257 VanDerWaalsContact CA-CD2 3.49Å; D186-Y257 HydrophobicContact CB-CD1 4.24Å; D186-Y257 HydrophobicContact CB-CD2 3.45Å; D186-Y257 VanDerWaalsContact CB-CD2 3.45Å; D186-Y257 HydrophobicContact CB-CE1 4.49Å; D186-Y257 HydrophobicContact CB-CE2 3.79Å; D186-Y257 HydrophobicContact CB-CG 3.73Å; D186-Y257 VanDerWaalsContact N-CD2 3.3Å; D186-Y257 VanDerWaalsContact N-CE2 3.33Å; D186-Y257 PolarHBondContact OD2-N 2.8Å; D186-G372 PolarHBondContact N-O 3.31Å; D186-G372 VanDerWaalsContact N-O 3.14Å
187D88.5Confident89.1Confident70 Ų7046.2 Ų46.237%0.37424%0.238SC..Hα-helixtrans-54.5-36.5171.7-74.9-15.8000112.4V167 S185 Q190 T191V167-D187 HydrophobicContact CG2-CB 3.95Å; V167-D187 WeakPolarHBondContact CG2-OD2 3.22Å; S185-D187 PolarHBondContact O-N 3.47Å; S185-D187 PolarHBondContact OG-N 3.15Å; S185-D187 VanDerWaalsContact OG-N 3.1Å; D187-Q190 PolarHBondContact O-N 2.84Å; D187-T191 WeakPolarHBondContact O-CG2 3.2Å; D187-T191 PolarHBondContact O-N 3.4Å
188V86.7Confident89.1Confident25 Ų2545.5 Ų45.515%0.15223%0.234CC..Hα-helixtrans-61.6-49.1176.5178.30000110.1G152 V184 S185 D186 Q190 T191 F192G152-V188 WeakPolarHBondContact O-CB 3.34Å; G152-V188 WeakPolarHBondContact O-CG1 3.19Å; G152-V188 WeakPolarHBondContact O-CG2 3.38Å; V184-V188 HydrophobicContact CG1-CB 3.87Å; V184-V188 HydrophobicContact CG1-CG1 4.04Å; V184-V188 HydrophobicContact CG1-CG2 3.94Å; S185-V188 WeakPolarHBondContact O-CB 3.39Å; S185-V188 PolarHBondContact O-N 2.92Å; S185-V188 VanDerWaalsContact O-N 3.15Å; D186-V188 PolarHBondContact O-N 3.13Å; V188-Q190 VanDerWaalsContact C-N 3.32Å; V188-Q190 PolarHBondContact O-N 2.91Å; V188-T191 PolarHBondContact O-N 3.08Å; V188-T191 PolarHBondContact O-OG1 3.29Å; V188-F192 PolarHBondContact O-N 2.77Å
189A87.2Confident88.9Confident17 Ų1744 Ų4414%0.1423%0.228CC..Hα-helixtrans-69.5-32178.900000111.9D186 F192 L193 L255 Y257D186-A189 CarbonylContact O-C 3.49Å; D186-A189 PolarHBondContact O-N 3.14Å; A189-F192 WeakPolarHBondContact O-CB 3.31Å; A189-F192 PolarHBondContact O-N 3.49Å; A189-L193 WeakPolarHBondContact O-CG 3.45Å; A189-L193 PolarHBondContact O-N 3.03Å; A189-L255 HydrophobicContact CB-CD2 3.39Å; A189-Y257 WeakPolarHBondContact CB-OH 3.46Å
190Q89.7Confident88.8Confident47 Ų4738.7 Ų38.722%0.2221%0.207CC..Hα-helixtrans-66.6-40.2174.9-167.459.944.200111.4D186 D187 V188 F192 L193 Q194 P253D186-Q190 WeakPolarHBondContact O-CB 3.28Å; D186-Q190 PolarHBondContact O-N 3Å; D187-Q190 PolarHBondContact O-N 2.84Å; V188-Q190 VanDerWaalsContact C-N 3.32Å; V188-Q190 PolarHBondContact O-N 2.91Å; Q190-F192 VanDerWaalsContact C-N 3.29Å; Q190-F192 PolarHBondContact O-N 2.84Å; Q190-L193 PolarHBondContact O-N 2.77Å; Q190-Q194 WeakPolarHBondContact O-CB 3.41Å; Q190-Q194 PolarHBondContact O-N 2.99Å; Q190-P253 PolarHBondContact NE2-O 3.45Å; Q190-P253 PolarHBondContact OE1-O 2.8Å
191T89Confident88.4Confident39 Ų3936 Ų3624%0.23919%0.193CC..Hα-helixtrans-64.8-35.4174.565.50000111.9M153 I154 D187 V188 S195M153-T191 HydrophobicContact CG-CG2 3.82Å; I154-T191 PolarHBondContact N-OG1 2.86Å; I154-T191 CarbonylContact O-C 3.54Å; I154-T191 WeakPolarHBondContact O-CB 3.25Å; I154-T191 VanDerWaalsContact O-O 3.09Å; D187-T191 WeakPolarHBondContact O-CG2 3.2Å; D187-T191 PolarHBondContact O-N 3.4Å; V188-T191 PolarHBondContact O-N 3.08Å; V188-T191 PolarHBondContact O-OG1 3.29Å; T191-S195 WeakPolarHBondContact O-CB 3.39Å; T191-S195 PolarHBondContact O-N 2.84Å; T191-S195 PolarHBondContact O-OG 3.32Å
192F87.4Confident88.1Confident46 Ų4635.4 Ų35.420%0.20219%0.19CC..Hα-helixtrans-61.8-52.9170.5171.7-110.4000111.5F105 I154 V188 A189 Q190 Q194 S195 V196F105-F192 HydrophobicContact CD1-CE2 4.08Å; F105-F192 HydrophobicContact CD1-CZ 4.37Å; F105-F192 HydrophobicContact CE1-CD2 4.01Å; F105-F192 AromaticContact CE1-CE2 3.23Å; F105-F192 HydrophobicContact CE1-CE2 3.23Å; F105-F192 AromaticContact CE1-CZ 3.56Å; F105-F192 HydrophobicContact CE1-CZ 3.56Å; F105-F192 HydrophobicContact CZ-CD2 4.24Å; F105-F192 AromaticContact CZ-CE2 3.91Å; F105-F192 HydrophobicContact CZ-CE2 3.91Å; F105-F192 HydrophobicContact CZ-CZ 4.43Å; I154-F192 HydrophobicContact CB-CB 4.08Å; I154-F192 HydrophobicContact CB-CD2 4.48Å; I154-F192 HydrophobicContact CD1-CB 3.77Å; I154-F192 HydrophobicContact CD1-CD2 4.03Å; I154-F192 HydrophobicContact CD1-CG 4.17Å; I154-F192 HydrophobicContact CG1-CB 4.46Å; I154-F192 HydrophobicContact CG2-CB 4.42Å; I154-F192 HydrophobicContact CG2-CD2 3.95Å; V188-F192 PolarHBondContact O-N 2.77Å; A189-F192 WeakPolarHBondContact O-CB 3.31Å; A189-F192 PolarHBondContact O-N 3.49Å; Q190-F192 VanDerWaalsContact C-N 3.29Å; Q190-F192 PolarHBondContact O-N 2.84Å; F192-Q194 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 3.37Å; F192-S195 WeakPolarHBondContact O-CB 3.38Å; F192-S195 PolarHBondContact O-N 3.25Å; F192-S195 VanDerWaalsContact O-N 3.07Å; F192-V196 HydrophobicContact CD2-CG1 4.04Å; F192-V196 HydrophobicContact CE1-CG1 4.39Å; F192-V196 HydrophobicContact CE1-CG2 4.43Å; F192-V196 HydrophobicContact CE2-CG1 3.39Å; F192-V196 HydrophobicContact CZ-CG1 3.6Å; F192-V196 HydrophobicContact CZ-CG2 4.4Å; F192-V196 WeakPolarHBondContact O-CG2 3.16Å; F192-V196 PolarHBondContact O-N 2.75Å
193L89.1Confident87.9Confident20 Ų2034.3 Ų34.311%0.10519%0.185CC..Hα-helixtrans-58.2-43.6179.7-71.8171.4000112A189 Q190 S195 V196 F197 P253 L255 L264A189-L193 WeakPolarHBondContact O-CG 3.45Å; A189-L193 PolarHBondContact O-N 3.03Å; Q190-L193 PolarHBondContact O-N 2.77Å; L193-S195 PolarHBondContact O-N 3.2Å; L193-V196 VanDerWaalsContact O-CG2 3.26Å; L193-V196 WeakPolarHBondContact O-CG2 3.39Å; L193-V196 PolarHBondContact O-N 3.15Å; L193-F197 WeakPolarHBondContact O-CB 3.5Å; L193-F197 PolarHBondContact O-N 2.87Å; L193-P253 HydrophobicContact CD1-CB 4.29Å; L193-P253 HydrophobicContact CD2-CB 4.37Å; L193-L255 HydrophobicContact CD1-CB 3.64Å; L193-L264 HydrophobicContact CD1-CD1 4Å
194Q90.5Very high87.4Confident70 Ų7033.1 Ų33.133%0.32718%0.181SC..Hα-helixtrans-56.5-49.6172.6-176.466.350.600111.1Q190 F192 V196 F197 D198 V252Q190-Q194 WeakPolarHBondContact O-CB 3.41Å; Q190-Q194 PolarHBondContact O-N 2.99Å; F192-Q194 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 3.37Å; Q194-V196 PolarHBondContact O-N 3.07Å; Q194-F197 WeakPolarHBondContact O-CB 3.32Å; Q194-F197 PolarHBondContact O-N 2.86Å; Q194-D198 VanDerWaalsContact NE2-CG 3.29Å; Q194-D198 PolarHBondContact NE2-OD1 2.92Å; Q194-D198 PolarHBondContact NE2-OD2 2.97Å; Q194-D198 VanDerWaalsContact NE2-OD2 3.1Å; Q194-D198 WeakPolarHBondContact O-CB 3.2Å; Q194-D198 VanDerWaalsContact O-CG 3.23Å; Q194-D198 PolarHBondContact O-N 2.79Å; Q194-V252 HydrophobicContact CB-CG1 4.22Å
195S89.4Confident86.9Confident9 Ų931.7 Ų31.76%0.06317%0.173CC..Hα-helixtrans-65.4-40.1-176.8-61.50000113.2I154 C155 T191 F192 L193 L199I154-S195 PolarHBondContact O-OG 3.18Å; C155-S195 WeakPolarHBondContact CA-OG 3.41Å; T191-S195 WeakPolarHBondContact O-CB 3.39Å; T191-S195 PolarHBondContact O-N 2.84Å; T191-S195 PolarHBondContact O-OG 3.32Å; F192-S195 WeakPolarHBondContact O-CB 3.38Å; F192-S195 PolarHBondContact O-N 3.25Å; F192-S195 VanDerWaalsContact O-N 3.07Å; L193-S195 PolarHBondContact O-N 3.2Å; S195-L199 WeakPolarHBondContact O-CB 3.42Å; S195-L199 WeakPolarHBondContact O-CD1 3.14Å; S195-L199 VanDerWaalsContact O-CG 3.23Å; S195-L199 WeakPolarHBondContact O-CG 3.34Å; S195-L199 PolarHBondContact O-N 3.44Å; S195-L199 VanDerWaalsContact O-N 3.13Å
196V86.7Confident86.1Confident4 Ų431.7 Ų31.72%0.02417%0.172CC..Hα-helixtrans-72.8-31.3176-650000111.8L127 F192 L193 Q194 G200 L201 L202L127-V196 HydrophobicContact CD1-CG1 4.02Å; F192-V196 HydrophobicContact CD2-CG1 4.04Å; F192-V196 HydrophobicContact CE1-CG1 4.39Å; F192-V196 HydrophobicContact CE1-CG2 4.43Å; F192-V196 HydrophobicContact CE2-CG1 3.39Å; F192-V196 HydrophobicContact CZ-CG1 3.6Å; F192-V196 HydrophobicContact CZ-CG2 4.4Å; F192-V196 WeakPolarHBondContact O-CG2 3.16Å; F192-V196 PolarHBondContact O-N 2.75Å; L193-V196 VanDerWaalsContact O-CG2 3.26Å; L193-V196 WeakPolarHBondContact O-CG2 3.39Å; L193-V196 PolarHBondContact O-N 3.15Å; Q194-V196 PolarHBondContact O-N 3.07Å; V196-G200 PolarHBondContact O-N 3.37Å; V196-L201 HydrophobicContact CB-CB 4.06Å; V196-L201 HydrophobicContact CG1-CD1 4.24Å; V196-L201 WeakPolarHBondContact O-CB 3.2Å; V196-L201 PolarHBondContact O-N 3.1Å; V196-L202 HydrophobicContact CB-CD2 4.32Å; V196-L202 HydrophobicContact CB-CG 4.24Å; V196-L202 HydrophobicContact CG2-CD1 4.02Å; V196-L202 HydrophobicContact CG2-CD2 3.59Å; V196-L202 HydrophobicContact CG2-CG 3.68Å
197F89.5Confident85.2Confident51 Ų5131.8 Ų31.822%0.22417%0.173CC..Hα-helixtrans-63.8-52.7171.5177.7-93.5000111.3L193 Q194 L199 G200 L202 H249 K251 V252L193-F197 WeakPolarHBondContact O-CB 3.5Å; L193-F197 PolarHBondContact O-N 2.87Å; Q194-F197 WeakPolarHBondContact O-CB 3.32Å; Q194-F197 PolarHBondContact O-N 2.86Å; F197-L199 PolarHBondContact O-N 3.07Å; F197-G200 WeakPolarHBondContact O-CA 3.35Å; F197-G200 PolarHBondContact O-N 2.99Å; F197-L202 HydrophobicContact CB-CD1 3.86Å; F197-L202 HydrophobicContact CD2-CD1 4.29Å; F197-H249 HydrophobicContact CD2-CB 3.8Å; F197-H249 HydrophobicContact CE2-CB 3.67Å; F197-H249 WeakPolarHBondContact CE2-O 3.4Å; F197-K251 VanDerWaalsContact CE2-O 3.31Å; F197-K251 WeakPolarHBondContact CE2-O 3.43Å; F197-V252 HydrophobicContact CB-CG1 4.41Å; F197-V252 HydrophobicContact CB-CG2 4.13Å; F197-V252 HydrophobicContact CD1-CB 4.39Å; F197-V252 HydrophobicContact CD1-CG2 3.33Å; F197-V252 HydrophobicContact CD2-CG2 4.35Å; F197-V252 HydrophobicContact CE1-CG2 3.75Å; F197-V252 HydrophobicContact CG-CB 4.28Å; F197-V252 HydrophobicContact CG-CG2 3.67Å; F197-V252 HydrophobicContact CZ-CG2 4.41Å
198D89.4Confident83.8Confident100 Ų10029.2 Ų29.254%0.53516%0.163SC..Hα-helixtrans-62-32.9-178.4-68.4-21.6000112.3Q194 G200Q194-D198 VanDerWaalsContact NE2-CG 3.29Å; Q194-D198 PolarHBondContact NE2-OD1 2.92Å; Q194-D198 PolarHBondContact NE2-OD2 2.97Å; Q194-D198 VanDerWaalsContact NE2-OD2 3.1Å; Q194-D198 WeakPolarHBondContact O-CB 3.2Å; Q194-D198 VanDerWaalsContact O-CG 3.23Å; Q194-D198 PolarHBondContact O-N 2.79Å; D198-G200 PolarHBondContact O-N 2.82Å
199L87.1Confident82.4Confident14 Ų1434.4 Ų34.47%0.07318%0.184CC..THydrogen-bonded Turntrans-77.5-8.1173.7-69.8172.7000113K123 L127 S195 F197 L201K123-L199 HydrophobicContact CB-CD2 4.44Å; K123-L199 VanDerWaalsContact CD-O 3.28Å; K123-L199 WeakPolarHBondContact CD-O 3.38Å; K123-L199 WeakPolarHBondContact CE-O 3.31Å; K123-L199 PolarHBondContact NZ-O 2.78Å; K123-L199 WeakPolarHBondContact O-CD1 3.35Å; L127-L199 HydrophobicContact CD2-CD1 3.53Å; L127-L199 HydrophobicContact CG-CD1 3.8Å; S195-L199 WeakPolarHBondContact O-CB 3.42Å; S195-L199 WeakPolarHBondContact O-CD1 3.14Å; S195-L199 VanDerWaalsContact O-CG 3.23Å; S195-L199 WeakPolarHBondContact O-CG 3.34Å; S195-L199 PolarHBondContact O-N 3.44Å; S195-L199 VanDerWaalsContact O-N 3.13Å; F197-L199 PolarHBondContact O-N 3.07Å; L199-L201 HydrophobicContact CB-CD1 3.91Å; L199-L201 HydrophobicContact CB-CG 3.83Å; L199-L201 HydrophobicContact CD1-CD1 3.9Å; L199-L201 PolarHBondContact O-N 3.23Å
200G86.6Confident80.7Confident20 Ų2035.3 Ų35.321%0.20619%0.186CC..THydrogen-bonded Turntrans66.925.7-174.800000113.1V196 F197 D198 L202V196-G200 PolarHBondContact O-N 3.37Å; F197-G200 WeakPolarHBondContact O-CA 3.35Å; F197-G200 PolarHBondContact O-N 2.99Å; D198-G200 PolarHBondContact O-N 2.82Å; G200-L202 VanDerWaalsContact C-N 3.31Å
201L82.3Confident78.8Confident3 Ų333.1 Ų33.12%0.01618%0.176CC..THydrogen-bonded Turntrans-79.8-15177.1-66.2173.2000111.7F114 A120 K123 I124 L127 V196 L199 N203F114-L201 HydrophobicContact CD1-CB 4.31Å; F114-L201 HydrophobicContact CD1-CD2 4.09Å; F114-L201 WeakPolarHBondContact CD1-O 3.26Å; F114-L201 HydrophobicContact CE1-CB 3.81Å; F114-L201 HydrophobicContact CE1-CD2 3.85Å; F114-L201 HydrophobicContact CE1-CG 4.43Å; F114-L201 WeakPolarHBondContact CE1-O 3.21Å; F114-L201 HydrophobicContact CZ-CD2 4.19Å; A120-L201 HydrophobicContact CB-CD2 4Å; K123-L201 HydrophobicContact CB-CD2 4.01Å; K123-L201 HydrophobicContact CB-CG 4.45Å; K123-L201 HydrophobicContact CD-CD2 4.33Å; I124-L201 HydrophobicContact CD1-CD2 4.31Å; I124-L201 HydrophobicContact CG1-CD1 3.75Å; I124-L201 HydrophobicContact CG1-CD2 3.79Å; I124-L201 HydrophobicContact CG1-CG 4.44Å; L127-L201 HydrophobicContact CD1-CD1 4.1Å; V196-L201 HydrophobicContact CB-CB 4.06Å; V196-L201 HydrophobicContact CG1-CD1 4.24Å; V196-L201 WeakPolarHBondContact O-CB 3.2Å; V196-L201 PolarHBondContact O-N 3.1Å; L199-L201 HydrophobicContact CB-CD1 3.91Å; L199-L201 HydrophobicContact CB-CG 3.83Å; L199-L201 HydrophobicContact CD1-CD1 3.9Å; L199-L201 PolarHBondContact O-N 3.23Å; L201-N203 PolarHBondContact O-N 3.03Å
202L84.1Confident76.6Confident28 Ų2834.4 Ų34.415%0.14718%0.184CC..THydrogen-bonded Turntrans-80.8-3.1173.3-63.9179000113.7V196 F197 G200 H249 P253V196-L202 HydrophobicContact CB-CD2 4.32Å; V196-L202 HydrophobicContact CB-CG 4.24Å; V196-L202 HydrophobicContact CG2-CD1 4.02Å; V196-L202 HydrophobicContact CG2-CD2 3.59Å; V196-L202 HydrophobicContact CG2-CG 3.68Å; F197-L202 HydrophobicContact CB-CD1 3.86Å; F197-L202 HydrophobicContact CD2-CD1 4.29Å; G200-L202 VanDerWaalsContact C-N 3.31Å; L202-H249 WeakPolarHBondContact CB-ND1 3.04Å; L202-H249 PolarHBondContact O-CE1 2.98Å; L202-H249 PolarHBondContact O-ND1 3.09Å; L202-H249 VanDerWaalsContact O-ND1 3.14Å; L202-P253 HydrophobicContact CD1-CG 3.54Å
203N84.6Confident74.6Confident42 Ų4239.9 Ų39.923%0.22521%0.207CC..  trans-84.1123.8-179.6-62.8-16.1000110.6A115 L201 V247 Y248A115-N203 PolarHBondContact N-O 3.46Å; L201-N203 PolarHBondContact O-N 3.03Å; N203-V247 CarbonylContact C-O 3.49Å; N203-V247 WeakPolarHBondContact CA-O 3.47Å; N203-Y248 HydrophobicContact CB-CD1 4.13Å
204I79.3Confident72.8Confident14 Ų1440.7 Ų40.77%0.07221%0.211CC..EExtended strand (participates in β ladder)trans-109.4137.3-175.8-54.5172.9000108.2I206 N246 V247 A344 F345 L348I204-I206 HydrophobicContact CG2-CD1 4.44Å; I204-I206 HydrophobicContact CG2-CG1 3.89Å; I204-N246 CarbonylContact O-C 3.54Å; I204-N246 WeakPolarHBondContact O-CA 3.47Å; I204-V247 HydrophobicContact CB-CB 4.23Å; I204-V247 PolarHBondContact N-O 3.29Å; I204-V247 PolarHBondContact O-N 2.98Å; I204-A344 HydrophobicContact CD1-CB 4.47Å; I204-F345 HydrophobicContact CD1-CE2 4.14Å; I204-L348 HydrophobicContact CD1-CD1 4.49Å
205S77.8Confident70.6Confident8 Ų840.7 Ų40.76%0.05621%0.21CC..EExtended strand (participates in β ladder)trans-117.6131.2163.2173.10000109.5R113 E244 L245 N246R113-S205 PolarHBondContact O-N 3.36Å; S205-E244 WeakPolarHBondContact OG-CG 3.37Å; S205-E244 PolarHBondContact OG-OE1 2.93Å; S205-L245 CarbonylContact C-O 3.58Å; S205-L245 WeakPolarHBondContact CA-O 3.48Å; S205-N246 VanDerWaalsContact CB-OD1 3.28Å; S205-N246 WeakPolarHBondContact CB-OD1 3.37Å; S205-N246 PolarHBondContact OG-OD1 2.96Å
206I74Confident68.5Low12 Ų1245.2 Ų45.26%0.06224%0.241CC..EExtended strand (participates in β ladder)trans-118.2105.9174.9-42.5-176.4000108.1I204 F211 E244 L245 A344I204-I206 HydrophobicContact CG2-CD1 4.44Å; I204-I206 HydrophobicContact CG2-CG1 3.89Å; I206-F211 HydrophobicContact CB-CD2 4.46Å; I206-F211 HydrophobicContact CB-CE2 4.15Å; I206-F211 HydrophobicContact CG2-CD2 3.38Å; I206-F211 HydrophobicContact CG2-CE2 3.4Å; I206-F211 HydrophobicContact CG2-CG 4.29Å; I206-F211 HydrophobicContact CG2-CZ 4.32Å; I206-E244 WeakPolarHBondContact O-CA 3.35Å; I206-L245 HydrophobicContact CB-CB 4.24Å; I206-L245 HydrophobicContact CD1-CD2 4.08Å; I206-L245 PolarHBondContact N-O 3.25Å; I206-L245 PolarHBondContact O-N 2.72Å; I206-A344 HydrophobicContact CD1-CB 4.47Å
207T70.5Confident66.5Low29 Ų2948 Ų4818%0.17826%0.256CS..EExtended strand (participates in β ladder)trans-90156.817357.30000111.2K209 N210 F211 E244T207-K209 VanDerWaalsContact C-N 3.27Å; T207-K209 PolarHBondContact O-N 2.82Å; T207-N210 WeakPolarHBondContact O-CA 3.11Å; T207-N210 WeakPolarHBondContact O-CB 3.26Å; T207-N210 PolarHBondContact O-N 2.98Å; T207-N210 VanDerWaalsContact OG1-CG 3.25Å; T207-N210 PolarHBondContact OG1-ND2 2.77Å; T207-N210 VanDerWaalsContact OG1-ND2 3.13Å; T207-F211 PolarHBondContact O-N 2.85Å; T207-E244 HydrophobicContact CG2-CB 4.23Å; T207-E244 VanDerWaalsContact CG2-CD 3.44Å; T207-E244 HydrophobicContact CG2-CG 3.54Å
208G59.1Low64.1Low16 Ų1646.5 Ų46.517%0.16525%0.249CC..Hα-helixtrans-49.7-40.7177.800000114.7N210 F211 I243G208-N210 PolarHBondContact O-N 3.11Å; G208-F211 WeakPolarHBondContact O-CB 3.44Å; G208-F211 PolarHBondContact O-N 2.89Å; G208-I243 PolarHBondContact N-O 3.48Å
209K56.3Low61.7Low133 Ų13351.4 Ų51.458%0.57826%0.262SS*.Hα-helixtrans-62.5-25.7175.9-69.5177.1174.4125.70113.9T207 E242T207-K209 VanDerWaalsContact C-N 3.27Å; T207-K209 PolarHBondContact O-N 2.82Å; K209-E242 VanDerWaalsContact CE-OE1 3.31Å; K209-E242 WeakPolarHBondContact CE-OE1 3.42Å; K209-E242 IonicContact NZ-OE1 3.67Å; K209-E242 PolarHBondContact NZ-OE1 3.47Å; K209-E242 IonicContact NZ-OE2 2.77Å
210N52.7Low59.3Low36 Ų3656.3 Ų56.319%0.19328%0.284CS..Hα-helixtrans-90.2-24.4-177.4-62.9-14.2000112.4R113 T207 G208R113-N210 PolarHBondContact NH1-ND2 3.34Å; R113-N210 VanDerWaalsContact NH1-ND2 3.19Å; R113-N210 PolarHBondContact NH1-OD1 3.46Å; T207-N210 WeakPolarHBondContact O-CA 3.11Å; T207-N210 WeakPolarHBondContact O-CB 3.26Å; T207-N210 PolarHBondContact O-N 2.98Å; T207-N210 VanDerWaalsContact OG1-CG 3.25Å; T207-N210 PolarHBondContact OG1-ND2 2.77Å; T207-N210 VanDerWaalsContact OG1-ND2 3.13Å; G208-N210 PolarHBondContact O-N 3.11Å
211F50Low57.1Low2 Ų261 Ų611%0.00931%0.311CS..Hα-helixtrans-60-45.2173.2-108.5-83.9000111.8I206 T207 G208 K213 Q214 K215 F218 C227 L228 A340I206-F211 HydrophobicContact CB-CD2 4.46Å; I206-F211 HydrophobicContact CB-CE2 4.15Å; I206-F211 HydrophobicContact CG2-CD2 3.38Å; I206-F211 HydrophobicContact CG2-CE2 3.4Å; I206-F211 HydrophobicContact CG2-CG 4.29Å; I206-F211 HydrophobicContact CG2-CZ 4.32Å; T207-F211 PolarHBondContact O-N 2.85Å; G208-F211 WeakPolarHBondContact O-CB 3.44Å; G208-F211 PolarHBondContact O-N 2.89Å; F211-K213 VanDerWaalsContact C-N 3.3Å; F211-K213 PolarHBondContact O-N 3.46Å; F211-Q214 PolarHBondContact O-N 2.89Å; F211-K215 PolarHBondContact O-N 3.32Å; F211-F218 HydrophobicContact CD1-CE1 4.28Å; F211-F218 AromaticContact CD1-CE2 3.91Å; F211-F218 HydrophobicContact CD1-CE2 3.91Å; F211-F218 AromaticContact CD1-CZ 3.57Å; F211-F218 HydrophobicContact CD1-CZ 3.57Å; F211-F218 AromaticContact CE1-CE1 3.64Å; F211-F218 HydrophobicContact CE1-CE1 3.64Å; F211-F218 HydrophobicContact CE1-CE2 4.09Å; F211-F218 AromaticContact CE1-CZ 3.28Å; F211-F218 HydrophobicContact CE1-CZ 3.28Å; F211-F218 HydrophobicContact CZ-CE1 4.46Å; F211-F218 HydrophobicContact CZ-CZ 4.15Å; F211-C227 HydrophobicContact CD1-CB 3.85Å; F211-C227 HydrophobicContact CE1-CB 3.72Å; F211-L228 HydrophobicContact CD2-CD1 3.95Å; F211-L228 HydrophobicContact CE2-CD1 3.5Å; F211-L228 VanDerWaalsContact CE2-CD1 3.5Å; F211-L228 HydrophobicContact CE2-CG 4.17Å; F211-L228 HydrophobicContact CZ-CD1 3.96Å; F211-L228 HydrophobicContact CZ-CG 4.12Å; F211-A340 HydrophobicContact CE1-CB 4.13Å; F211-A340 HydrophobicContact CZ-CB 3.62Å
212V42.6Very low55.4Low66 Ų6662.1 Ų62.140%0.432%0.319SS..Hα-helixtrans-55.3-45.1-178.6-174.20000111.5Q214 K215 S225V212-Q214 PolarHBondContact O-N 3.34Å; V212-K215 PolarHBondContact O-N 2.72Å; V212-S225 WeakPolarHBondContact CG2-O 3.38Å
213K46Very low53.4Low160 Ų16065.2 Ų65.270%0.69634%0.343SS*.THydrogen-bonded Turntrans-71.7-13.9-177.7-71.5-171.1177.5-174.30113.8F211F211-K213 VanDerWaalsContact C-N 3.3Å; F211-K213 PolarHBondContact O-N 3.46Å
214Q49.5Very low51.2Low38 Ų3869.2 Ų69.218%0.17836%0.36CS..THydrogen-bonded Turntrans-103.98.1178.2-71.3-159.6-1.400112.9F211 V212 S216 N217 F218F211-Q214 PolarHBondContact O-N 2.89Å; V212-Q214 PolarHBondContact O-N 3.34Å; Q214-S216 PolarHBondContact O-N 2.88Å; Q214-N217 WeakPolarHBondContact O-CA 3.45Å; Q214-N217 WeakPolarHBondContact O-CB 3.44Å; Q214-N217 PolarHBondContact O-N 3.32Å; Q214-F218 HydrophobicContact CB-CD2 4.38Å; Q214-F218 HydrophobicContact CB-CE2 3.74Å; Q214-F218 WeakPolarHBondContact O-CD2 3.37Å
215K45.9Very low49.3Very low70 Ų7071.8 Ų71.830%0.30438%0.379SS..G310 helixtrans-45.1-40.3178.6-92.4-166.1-177.9-166.70113.2F211 V212 N217 F218 C222 S223F211-K215 PolarHBondContact O-N 3.32Å; V212-K215 PolarHBondContact O-N 2.72Å; K215-N217 PolarHBondContact O-N 2.99Å; K215-F218 PolarHBondContact O-N 3.05Å; K215-C222 WeakPolarHBondContact CE-O 3.41Å; K215-C222 PolarHBondContact NZ-O 3.07Å; K215-S223 PolarHBondContact NZ-O 2.82Å
216S44.7Very low47.6Very low103 Ų10373.2 Ų73.272%0.7239%0.388SS*.G310 helixtrans-64.1-21.4178.661.60000114.8Q214Q214-S216 PolarHBondContact O-N 2.88Å
217N43.8Very low46.4Very low64 Ų6473.4 Ų73.434%0.34239%0.39SS..G310 helixtrans-95.8-8.4-175.8-58.4-15.1000112.5Q214 K215 V347Q214-N217 WeakPolarHBondContact O-CA 3.45Å; Q214-N217 WeakPolarHBondContact O-CB 3.44Å; Q214-N217 PolarHBondContact O-N 3.32Å; K215-N217 PolarHBondContact O-N 2.99Å; N217-V347 HydrophobicContact CB-CG2 4.48Å
218F40.8Very low45.6Very low18 Ų1872.2 Ų72.28%0.07938%0.382CS..SBendtrans-88.3128.4173.6-68.7-88.8000108.8F211 Q214 K215 Q220 A340 A343F211-F218 HydrophobicContact CD1-CE1 4.28Å; F211-F218 AromaticContact CD1-CE2 3.91Å; F211-F218 HydrophobicContact CD1-CE2 3.91Å; F211-F218 AromaticContact CD1-CZ 3.57Å; F211-F218 HydrophobicContact CD1-CZ 3.57Å; F211-F218 AromaticContact CE1-CE1 3.64Å; F211-F218 HydrophobicContact CE1-CE1 3.64Å; F211-F218 HydrophobicContact CE1-CE2 4.09Å; F211-F218 AromaticContact CE1-CZ 3.28Å; F211-F218 HydrophobicContact CE1-CZ 3.28Å; F211-F218 HydrophobicContact CZ-CE1 4.46Å; F211-F218 HydrophobicContact CZ-CZ 4.15Å; Q214-F218 HydrophobicContact CB-CD2 4.38Å; Q214-F218 HydrophobicContact CB-CE2 3.74Å; Q214-F218 WeakPolarHBondContact O-CD2 3.37Å; K215-F218 PolarHBondContact O-N 3.05Å; F218-Q220 PolarHBondContact O-N 3Å; F218-Q220 VanDerWaalsContact O-N 3.12Å; F218-A340 HydrophobicContact CE1-CB 3.9Å; F218-A340 HydrophobicContact CZ-CB 4.39Å; F218-A343 HydrophobicContact CD1-CB 4.35Å; F218-A343 HydrophobicContact CE1-CB 4.34Å
219Y38.7Very low45.1Very low203 Ų20375.6 Ų75.680%0.79639%0.394SS*.SBendtrans-62.3-16.4176.7-96.5-86.5000113.2
220Q37.2Very low45Very low117 Ų11769.9 Ų69.955%0.54737%0.37SS..SBendtrans-111.3123.7171-79.7-179.4-44.900110.2F218 C222 Q339F218-Q220 PolarHBondContact O-N 3Å; F218-Q220 VanDerWaalsContact O-N 3.12Å; Q220-C222 PolarHBondContact O-N 2.67Å; Q220-C222 VanDerWaalsContact O-N 3.15Å; Q220-Q339 VanDerWaalsContact OE1-NE2 3.11Å
221P39.5Very low45.4Very low120 Ų12068.2 Ų68.278%0.77936%0.361SS*.  trans-66.8114.117426.2-30.8000109S223P221-S223 PolarHBondContact O-N 2.92Å
222C47.2Very low45.9Very low25 Ų2571.6 Ų71.617%0.16938%0.383CS..  trans-74.9110.6172.1-53.90000106.9K215 Q220 H224 C227K215-C222 WeakPolarHBondContact CE-O 3.41Å; K215-C222 PolarHBondContact NZ-O 3.07Å; Q220-C222 PolarHBondContact O-N 2.67Å; Q220-C222 VanDerWaalsContact O-N 3.15Å; C222-H224 VanDerWaalsContact C-N 3.33Å; C222-H224 PolarHBondContact O-N 2.96Å; C222-C227 HydrophobicContact CB-CB 4.08Å; C222-C227 WeakPolarHBondContact CB-SG 3.23Å; C222-C227 WeakPolarHBondContact SG-CA 3.43Å; C222-C227 WeakPolarHBondContact SG-CB 3.48Å; C222-C227 CovalentContact SG-SG 2.01Å; C222-C227 PolarHBondContact SG-SG 3.13Å
223S41.9Very low47Very low93 Ų9370.8 Ų70.865%0.6538%0.381SS*.SBendtrans-61.9-41.9-172.538.70000111.4K215 P221K215-S223 PolarHBondContact NZ-O 2.82Å; P221-S223 PolarHBondContact O-N 2.92Å
224H38.8Very low48.2Very low126 Ų12664.9 Ų64.958%0.58335%0.354SS*.SBendtrans-112.6157.6173.2-61.8-70.6000109.4C222 T226 E229C222-H224 VanDerWaalsContact C-N 3.33Å; C222-H224 PolarHBondContact O-N 2.96Å; H224-T226 PolarHBondContact O-N 2.83Å; H224-E229 WeakPolarHBondContact CB-OE1 3.39Å
225S37.6Very low49.1Very low69 Ų6965.7 Ų65.748%0.48336%0.359SS..SBendtrans-53.5-5.4-152.634.60000118.8V212V212-S225 WeakPolarHBondContact CG2-O 3.38Å
226T43.1Very low50.4Low38 Ų3867.9 Ų67.923%0.23338%0.379CS..  trans-140.6116.4-173.419.50000111.2H224 L228 E229H224-T226 PolarHBondContact O-N 2.83Å; T226-L228 PolarHBondContact O-N 3.41Å; T226-E229 PolarHBondContact O-N 2.87Å; T226-E229 VanDerWaalsContact O-N 3.12Å
227C49.7Very low51.9Low15 Ų1566.2 Ų66.210%0.10137%0.371CS..THydrogen-bonded Turntrans-63.6-3.6173.7-52.50000113.9F211 C222 T336F211-C227 HydrophobicContact CD1-CB 3.85Å; F211-C227 HydrophobicContact CE1-CB 3.72Å; C222-C227 HydrophobicContact CB-CB 4.08Å; C222-C227 WeakPolarHBondContact CB-SG 3.23Å; C222-C227 WeakPolarHBondContact SG-CA 3.43Å; C222-C227 WeakPolarHBondContact SG-CB 3.48Å; C222-C227 CovalentContact SG-SG 2.01Å; C222-C227 PolarHBondContact SG-SG 3.13Å; C227-T336 WeakPolarHBondContact O-CG2 3.12Å
228L51.9Low53.6Low5 Ų566.2 Ų66.23%0.02637%0.369CS..THydrogen-bonded Turntrans-92.313.1174.5-78.3161.5000113.5F211 T226 V230 L231 I243 L272 L333 T336F211-L228 HydrophobicContact CD2-CD1 3.95Å; F211-L228 HydrophobicContact CE2-CD1 3.5Å; F211-L228 VanDerWaalsContact CE2-CD1 3.5Å; F211-L228 HydrophobicContact CE2-CG 4.17Å; F211-L228 HydrophobicContact CZ-CD1 3.96Å; F211-L228 HydrophobicContact CZ-CG 4.12Å; T226-L228 PolarHBondContact O-N 3.41Å; L228-V230 PolarHBondContact O-N 3.23Å; L228-L231 PolarHBondContact O-N 3.14Å; L228-I243 HydrophobicContact CD1-CB 4.42Å; L228-I243 HydrophobicContact CD1-CG2 3.85Å; L228-L272 HydrophobicContact CD2-CD1 4.4Å; L228-L333 HydrophobicContact CD2-CD1 4.26Å; L228-T336 HydrophobicContact CD2-CG2 4.25Å
229E49.6Very low55.1Low87 Ų8769.8 Ų69.841%0.40739%0.394SS..THydrogen-bonded Turntrans-57.91.9166.9-84.8173.6-16400114.3H224 T226 L231 P232H224-E229 WeakPolarHBondContact CB-OE1 3.39Å; T226-E229 PolarHBondContact O-N 2.87Å; T226-E229 VanDerWaalsContact O-N 3.12Å; E229-L231 PolarHBondContact O-N 2.94Å; E229-P232 WeakPolarHBondContact O-CD 3.08Å
230V53.4Low56.9Low13 Ų1365.9 Ų65.98%0.07939%0.387CS..THydrogen-bonded Turntrans-73.2-0.6171.3-169.40000113L228 P232 Q332 L333 T336L228-V230 PolarHBondContact O-N 3.23Å; V230-P232 VanDerWaalsContact O-CD 3.31Å; V230-P232 WeakPolarHBondContact O-CD 3.07Å; V230-Q332 VanDerWaalsContact CG1-C 3.5Å; V230-Q332 HydrophobicContact CG1-CB 3.54Å; V230-Q332 HydrophobicContact CG1-CG 3.44Å; V230-Q332 VanDerWaalsContact CG1-CG 3.44Å; V230-Q332 HydrophobicContact CG2-CG 4.3Å; V230-L333 HydrophobicContact CG1-CB 4.1Å; V230-L333 VanDerWaalsContact CG1-N 3.31Å; V230-T336 HydrophobicContact CG2-CG2 4.42Å; V230-T336 VanDerWaalsContact CG2-OG1 3.25Å; V230-T336 WeakPolarHBondContact CG2-OG1 3.46Å
231L61.6Low58.9Low1 Ų161.5 Ų61.51%0.00537%0.366CS..  trans-11656.3168.7-77171.2000112.4L228 E229 S233 W234 L235 I243 L272 I284 L323 L333L228-L231 PolarHBondContact O-N 3.14Å; E229-L231 PolarHBondContact O-N 2.94Å; L231-S233 PolarHBondContact O-N 3.19Å; L231-W234 HydrophobicContact CB-CB 3.99Å; L231-W234 HydrophobicContact CD2-CB 4.35Å; L231-W234 PolarHBondContact O-N 2.93Å; L231-L235 WeakPolarHBondContact O-CB 3.14Å; L231-L235 WeakPolarHBondContact O-CG 3.5Å; L231-L235 PolarHBondContact O-N 3.43Å; L231-I243 HydrophobicContact CD1-CD1 4.35Å; L231-L272 HydrophobicContact CD1-CD2 3.69Å; L231-I284 HydrophobicContact CD1-CG2 4.02Å; L231-L323 HydrophobicContact CD1-CD1 4.46Å; L231-L323 HydrophobicContact CD2-CD1 3.49Å; L231-L323 VanDerWaalsContact CD2-CD1 3.49Å; L231-L323 HydrophobicContact CD2-CD2 3.84Å; L231-L323 HydrophobicContact CD2-CG 4.32Å; L231-L333 HydrophobicContact CD1-CD1 3.97Å; L231-L333 HydrophobicContact CD1-CD2 4.02Å; L231-L333 HydrophobicContact CD2-CD2 3.95Å; L231-L333 HydrophobicContact CG-CD1 4.01Å; L231-L333 HydrophobicContact CG-CD2 4.08Å
232P60Low60.6Low73 Ų7359.9 Ų59.947%0.47435%0.348SS..Hα-helixtrans-61.4-36.5179.626.4-30.2000110.5E229 V230 T236E229-P232 WeakPolarHBondContact O-CD 3.08Å; V230-P232 VanDerWaalsContact O-CD 3.31Å; V230-P232 WeakPolarHBondContact O-CD 3.07Å; P232-T236 VanDerWaalsContact O-CB 3.29Å; P232-T236 WeakPolarHBondContact O-CB 3.31Å; P232-T236 PolarHBondContact O-N 2.84Å; P232-T236 PolarHBondContact O-OG1 2.88Å
233S66.7Low62.1Low49 Ų4959.3 Ų59.334%0.34334%0.344SS..Hα-helixtrans-61-47.3176.257.40000112.6L231 A237 E329L231-S233 PolarHBondContact O-N 3.19Å; S233-A237 PolarHBondContact O-N 2.91Å; S233-E329 WeakPolarHBondContact CB-OE1 3.42Å; S233-E329 PolarHBondContact OG-OE1 3.26Å
234W70.3Confident63.9Low36 Ų3655.9 Ų55.914%0.13632%0.317CS..Hα-helixtrans-68-46.2179-171.7-88.6000112.4L231 T236 A237 H238 E241 S274 H282 I284 L323L231-W234 HydrophobicContact CB-CB 3.99Å; L231-W234 HydrophobicContact CD2-CB 4.35Å; L231-W234 PolarHBondContact O-N 2.93Å; W234-T236 PolarHBondContact O-N 2.69Å; W234-A237 CarbonylContact O-C 3.5Å; W234-A237 PolarHBondContact O-N 3.47Å; W234-A237 VanDerWaalsContact O-N 3.11Å; W234-H238 AromaticContact CD2-ND1 3.76Å; W234-H238 AromaticContact CE2-ND1 3.65Å; W234-H238 AromaticContact CZ2-ND1 3.98Å; W234-H238 AromaticContact NE1-CG 3.98Å; W234-H238 AromaticContact NE1-ND1 3.87Å; W234-H238 WeakPolarHBondContact O-CB 3.44Å; W234-H238 PolarHBondContact O-N 3.36Å; W234-H238 PolarHBondContact O-ND1 3.41Å; W234-E241 PolarHBondContact NE1-OE2 3.01Å; W234-S274 WeakPolarHBondContact CZ2-OG 3.44Å; W234-H282 HydrophobicContact CZ2-CB 4.26Å; W234-I284 HydrophobicContact CD2-CD1 4.27Å; W234-I284 HydrophobicContact CD2-CG1 4.38Å; W234-I284 HydrophobicContact CG-CD1 4.42Å; W234-I284 HydrophobicContact CH2-CG1 4.27Å; W234-I284 HydrophobicContact CZ2-CD1 4.24Å; W234-I284 HydrophobicContact CZ2-CG1 3.89Å; W234-L323 HydrophobicContact CB-CD2 4.16Å; W234-L323 HydrophobicContact CD2-CD2 4.02Å; W234-L323 HydrophobicContact CE3-CD2 3.31Å; W234-L323 HydrophobicContact CE3-CG 4.49Å; W234-L323 HydrophobicContact CG-CD2 4.41Å; W234-L323 HydrophobicContact CZ3-CD2 3.96Å
235L69.5Low66Low55 Ų5549.9 Ų49.929%0.28829%0.29SS..Hα-helixtrans-66.1-29.5-179.4-70.6171.4000111.9L231 H238 P239 I243L231-L235 WeakPolarHBondContact O-CB 3.14Å; L231-L235 WeakPolarHBondContact O-CG 3.5Å; L231-L235 PolarHBondContact O-N 3.43Å; L235-H238 CarbonylContact O-C 3.58Å; L235-P239 VanDerWaalsContact O-CA 3.28Å; L235-P239 WeakPolarHBondContact O-CA 3.21Å; L235-I243 HydrophobicContact CD2-CD1 3.88Å; L235-I243 HydrophobicContact CD2-CG1 4.3Å; L235-I243 HydrophobicContact CG-CD1 4.24Å
236T73.3Confident68.4Low116 Ų11647.2 Ų47.271%0.71227%0.27SS*.Hα-helixtrans-69-39.7172.1-55.30000111.3P232 W234P232-T236 VanDerWaalsContact O-CB 3.29Å; P232-T236 WeakPolarHBondContact O-CB 3.31Å; P232-T236 PolarHBondContact O-N 2.84Å; P232-T236 PolarHBondContact O-OG1 2.88Å; W234-T236 PolarHBondContact O-N 2.69Å
237A76.2Confident70.6Confident68 Ų6845.5 Ų45.556%0.56226%0.259SS*.Hα-helixtrans-77.6-26.9178.600000113.7S233 W234S233-A237 PolarHBondContact O-N 2.91Å; W234-A237 CarbonylContact O-C 3.5Å; W234-A237 PolarHBondContact O-N 3.47Å; W234-A237 VanDerWaalsContact O-N 3.11Å
238H77.9Confident72.7Confident63 Ų6348.4 Ų48.429%0.29227%0.268SS..  trans-135.364.2-174.2-56.689.4000111.2W234 L235 D240 E241W234-H238 AromaticContact CD2-ND1 3.76Å; W234-H238 AromaticContact CE2-ND1 3.65Å; W234-H238 AromaticContact CZ2-ND1 3.98Å; W234-H238 AromaticContact NE1-CG 3.98Å; W234-H238 AromaticContact NE1-ND1 3.87Å; W234-H238 WeakPolarHBondContact O-CB 3.44Å; W234-H238 PolarHBondContact O-N 3.36Å; W234-H238 PolarHBondContact O-ND1 3.41Å; L235-H238 CarbonylContact O-C 3.58Å; H238-D240 PolarHBondContact O-N 3.34Å; H238-E241 HydrophobicContact CB-CB 4.25Å; H238-E241 HydrophobicContact CB-CG 3.83Å; H238-E241 WeakPolarHBondContact CB-OE2 3.28Å; H238-E241 IonicContact CD2-OE1 2.63Å; H238-E241 IonicContact CD2-OE2 2.68Å; H238-E241 IonicContact CG-OE2 2.99Å; H238-E241 PolarHBondContact O-N 2.83Å
239P73.1Confident74.6Confident94 Ų9448.8 Ų48.861%0.6127%0.27SS*.THydrogen-bonded Turntrans-66.3-24-172.826.9-35.7000113.7L235 E241L235-P239 VanDerWaalsContact O-CA 3.28Å; L235-P239 WeakPolarHBondContact O-CA 3.21Å; P239-E241 VanDerWaalsContact C-N 3.34Å
240D76.9Confident76.7Confident120 Ų12047.4 Ų47.464%0.64227%0.268SS*.THydrogen-bonded Turntrans-91.55.3-176.6-56.2-31.7000113.4H238 L277H238-D240 PolarHBondContact O-N 3.34Å; D240-L277 HydrophobicContact CB-CD1 4.27Å
241E78Confident78.7Confident25 Ų2552.6 Ų52.612%0.11729%0.289CS..EExtended strand (participates in β ladder)trans-101.4136.6-177.1-57.7-167.8150.500112.6W234 H238 P239 S274 R275 H282W234-E241 PolarHBondContact NE1-OE2 3.01Å; H238-E241 HydrophobicContact CB-CB 4.25Å; H238-E241 HydrophobicContact CB-CG 3.83Å; H238-E241 WeakPolarHBondContact CB-OE2 3.28Å; H238-E241 IonicContact CD2-OE1 2.63Å; H238-E241 IonicContact CD2-OE2 2.68Å; H238-E241 IonicContact CG-OE2 2.99Å; H238-E241 PolarHBondContact O-N 2.83Å; P239-E241 VanDerWaalsContact C-N 3.34Å; E241-S274 WeakPolarHBondContact OE2-CB 3.39Å; E241-S274 PolarHBondContact OE2-OG 2.91Å; E241-R275 WeakPolarHBondContact CA-O 3.42Å; E241-H282 IonicContact OE1-CD2 2.63Å; E241-H282 PolarHBondContact OE1-CD2 2.95Å; E241-H282 IonicContact OE1-NE2 3.05Å
242E76.7Confident80.2Confident87 Ų8754.1 Ų54.141%0.40730%0.299SS..EExtended strand (participates in β ladder)trans-88.7130.4172.2-71.7-170.6178.700110.2K209 S274 R275K209-E242 VanDerWaalsContact CE-OE1 3.31Å; K209-E242 WeakPolarHBondContact CE-OE1 3.42Å; K209-E242 IonicContact NZ-OE1 3.67Å; K209-E242 PolarHBondContact NZ-OE1 3.47Å; K209-E242 IonicContact NZ-OE2 2.77Å; E242-S274 CarbonylContact O-C 3.59Å; E242-S274 WeakPolarHBondContact O-CA 3.41Å; E242-R275 PolarHBondContact N-O 3.16Å; E242-R275 PolarHBondContact O-N 2.9Å
243I78.3Confident81.8Confident13 Ų1350.8 Ų50.87%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-80.8135.5172.8-57-179.9000109.8G208 L228 L231 L235 L272 Y273G208-I243 PolarHBondContact N-O 3.48Å; L228-I243 HydrophobicContact CD1-CB 4.42Å; L228-I243 HydrophobicContact CD1-CG2 3.85Å; L231-I243 HydrophobicContact CD1-CD1 4.35Å; L235-I243 HydrophobicContact CD2-CD1 3.88Å; L235-I243 HydrophobicContact CD2-CG1 4.3Å; L235-I243 HydrophobicContact CG-CD1 4.24Å; I243-L272 HydrophobicContact CG2-CD1 3.34Å; I243-L272 HydrophobicContact CG2-CG 4.12Å; I243-Y273 WeakPolarHBondContact CA-O 3.14Å
244E79.8Confident83.2Confident20 Ų2050.4 Ų50.49%0.09327%0.274CS..EExtended strand (participates in β ladder)trans-133.3132.7175.5-172.3175.5178.600109.8S205 I206 T207 Y273 R275S205-E244 WeakPolarHBondContact OG-CG 3.37Å; S205-E244 PolarHBondContact OG-OE1 2.93Å; I206-E244 WeakPolarHBondContact O-CA 3.35Å; T207-E244 HydrophobicContact CG2-CB 4.23Å; T207-E244 VanDerWaalsContact CG2-CD 3.44Å; T207-E244 HydrophobicContact CG2-CG 3.54Å; E244-Y273 HydrophobicContact CB-CD1 4.47Å; E244-Y273 HydrophobicContact CB-CD2 3.88Å; E244-Y273 HydrophobicContact CB-CE1 3.94Å; E244-Y273 HydrophobicContact CB-CE2 3.38Å; E244-Y273 HydrophobicContact CB-CG 4.44Å; E244-Y273 VanDerWaalsContact CB-CZ 3.43Å; E244-Y273 VanDerWaalsContact CD-CE2 3.44Å; E244-Y273 HydrophobicContact CG-CE1 3.87Å; E244-Y273 HydrophobicContact CG-CE2 3.6Å; E244-Y273 WeakPolarHBondContact CG-OH 3.17Å; E244-Y273 PolarHBondContact N-O 2.88Å; E244-Y273 WeakPolarHBondContact O-CD1 3.46Å; E244-Y273 VanDerWaalsContact O-CE1 3.29Å; E244-Y273 WeakPolarHBondContact O-CE1 3.38Å; E244-Y273 PolarHBondContact O-N 2.77Å; E244-Y273 PolarHBondContact OE1-OH 2.84Å; E244-Y273 WeakPolarHBondContact OE2-CE2 3.35Å; E244-Y273 PolarHBondContact OE2-OH 2.83Å; E244-Y273 VanDerWaalsContact OE2-OH 3.12Å; E244-R275 IonicContact OE2-CZ 3.95Å; E244-R275 IonicContact OE2-NH1 3.41Å; E244-R275 IonicContact OE2-NH2 3.98Å; E244-R275 PolarHBondContact OE2-NH2 3.3Å
245L83.2Confident84.2Confident1 Ų149.5 Ų49.51%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-110.4112.3-179.3-174.384000108.3S205 I206 V247 V270 L272 I337 A340 V341S205-L245 CarbonylContact C-O 3.58Å; S205-L245 WeakPolarHBondContact CA-O 3.48Å; I206-L245 HydrophobicContact CB-CB 4.24Å; I206-L245 HydrophobicContact CD1-CD2 4.08Å; I206-L245 PolarHBondContact N-O 3.25Å; I206-L245 PolarHBondContact O-N 2.72Å; L245-V247 HydrophobicContact CD2-CG2 4.44Å; L245-V270 HydrophobicContact CD1-CG1 3.33Å; L245-V270 HydrophobicContact CD2-CG1 4.33Å; L245-V270 HydrophobicContact CG-CG1 3.78Å; L245-L272 HydrophobicContact CB-CD1 4.3Å; L245-L272 HydrophobicContact CD1-CB 4.33Å; L245-L272 HydrophobicContact CD1-CD1 3.74Å; L245-I337 HydrophobicContact CD1-CD1 4.24Å; L245-I337 HydrophobicContact CD1-CG1 3.92Å; L245-I337 HydrophobicContact CD1-CG2 4.33Å; L245-A340 HydrophobicContact CD2-CB 4.36Å; L245-V341 HydrophobicContact CD2-CG2 4.48Å
246N87.8Confident85.4Confident13 Ų1351.2 Ų51.27%0.0728%0.279CS..EExtended strand (participates in β ladder)trans-100.8132.5171.7-70.4-10.3000110.8I204 S205 Y248 V270 L271 Y273I204-N246 CarbonylContact O-C 3.54Å; I204-N246 WeakPolarHBondContact O-CA 3.47Å; S205-N246 VanDerWaalsContact CB-OD1 3.28Å; S205-N246 WeakPolarHBondContact CB-OD1 3.37Å; S205-N246 PolarHBondContact OG-OD1 2.96Å; N246-Y248 HydrophobicContact CB-CD2 4.17Å; N246-Y248 HydrophobicContact CB-CE2 3.31Å; N246-Y248 PolarHBondContact ND2-OH 2.84Å; N246-V270 CarbonylContact O-C 3.59Å; N246-V270 VanDerWaalsContact O-CA 3.32Å; N246-V270 WeakPolarHBondContact O-CA 3.06Å; N246-L271 PolarHBondContact N-O 2.89Å; N246-L271 PolarHBondContact O-N 3.2Å; N246-Y273 HydrophobicContact CB-CE1 3.91Å; N246-Y273 WeakPolarHBondContact ND2-CE1 3.41Å; N246-Y273 VanDerWaalsContact ND2-CZ 3.27Å; N246-Y273 PolarHBondContact ND2-OH 2.81Å; N246-Y273 WeakPolarHBondContact OD1-CE1 3.18Å; N246-Y273 PolarHBondContact OD1-OH 2.92Å
247V89.5Confident86.3Confident1 Ų146.7 Ų46.71%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-113.6123.2174.1-1740000107.8N203 I204 L245 M268 V270 V341N203-V247 CarbonylContact C-O 3.49Å; N203-V247 WeakPolarHBondContact CA-O 3.47Å; I204-V247 HydrophobicContact CB-CB 4.23Å; I204-V247 PolarHBondContact N-O 3.29Å; I204-V247 PolarHBondContact O-N 2.98Å; L245-V247 HydrophobicContact CD2-CG2 4.44Å; V247-M268 HydrophobicContact CG1-CB 4.22Å; V247-M268 HydrophobicContact CG1-CG 4.27Å; V247-M268 HydrophobicContact CG1-SD 3.72Å; V247-V270 HydrophobicContact CG1-CG2 4.2Å; V247-V270 HydrophobicContact CG2-CG1 4.39Å; V247-V270 HydrophobicContact CG2-CG2 4.18Å; V247-V341 HydrophobicContact CG2-CG2 3.74Å
248Y92.3Very high87.1Confident76 Ų7647 Ų4730%0.29824%0.237SC..EExtended strand (participates in β ladder)trans-119.2139.6178.1-56.5-81.5000109.1N203 N246 M268 E269 L271N203-Y248 HydrophobicContact CB-CD1 4.13Å; N246-Y248 HydrophobicContact CB-CD2 4.17Å; N246-Y248 HydrophobicContact CB-CE2 3.31Å; N246-Y248 PolarHBondContact ND2-OH 2.84Å; Y248-M268 CarbonylContact O-C 3.5Å; Y248-M268 WeakPolarHBondContact O-CA 3.45Å; Y248-M268 WeakPolarHBondContact O-CB 3.05Å; Y248-E269 PolarHBondContact N-O 3.02Å; Y248-E269 PolarHBondContact O-N 3.46Å; Y248-L271 HydrophobicContact CD2-CD1 3.66Å; Y248-L271 HydrophobicContact CE2-CB 4.41Å; Y248-L271 HydrophobicContact CE2-CD1 3.64Å
249H92.6Very high87.8Confident13 Ų1348.4 Ų48.46%0.0625%0.252CS..EExtended strand (participates in β ladder)trans-83.2130.2168.3-72.473.6000109.1F197 L202 F345F197-H249 HydrophobicContact CD2-CB 3.8Å; F197-H249 HydrophobicContact CE2-CB 3.67Å; F197-H249 WeakPolarHBondContact CE2-O 3.4Å; L202-H249 WeakPolarHBondContact CB-ND1 3.04Å; L202-H249 PolarHBondContact O-CE1 2.98Å; L202-H249 PolarHBondContact O-ND1 3.09Å; L202-H249 VanDerWaalsContact O-ND1 3.14Å; H249-F345 AromaticContact CE1-CZ 3.49Å; H249-F345 VanDerWaalsContact CE1-CZ 3.49Å; H249-F345 WeakPolarHBondContact CE1-CZ 3.43Å; H249-F345 AromaticContact NE2-CE1 4Å; H249-F345 AromaticContact NE2-CZ 3.52Å
250T94.1Very high88.7Confident58 Ų5846.3 Ų46.336%0.35625%0.248SC..SBendtrans-84.7-26.9177.253.90000111.7E267 E269T250-E267 PolarHBondContact N-O 3.07Å; T250-E267 PolarHBondContact OG1-O 3.46Å; T250-E269 HydrophobicContact CG2-CB 4Å; T250-E269 HydrophobicContact CG2-CG 3.51Å
251K95Very high89.5Confident122 Ų12243.4 Ų43.453%0.5323%0.229SC..SBendtrans-138.2164.2174.6-58.4-172.5-167.4133.10110.4F197 E267F197-K251 VanDerWaalsContact CE2-O 3.31Å; F197-K251 WeakPolarHBondContact CE2-O 3.43Å; K251-E267 WeakPolarHBondContact CD-OE2 3.43Å; K251-E267 WeakPolarHBondContact CE-OE2 3.49Å; K251-E267 IonicContact NZ-OE1 3.93Å; K251-E267 IonicContact NZ-OE2 2.69Å; K251-E267 PolarHBondContact NZ-OE2 2.83Å
252V93.4Very high90.3Very high34 Ų3442.3 Ų42.321%0.20622%0.224CC..PPolyproline II helixtrans-62.4127.2175.5-177.70000108.6Q194 F197 S254Q194-V252 HydrophobicContact CB-CG1 4.22Å; F197-V252 HydrophobicContact CB-CG1 4.41Å; F197-V252 HydrophobicContact CB-CG2 4.13Å; F197-V252 HydrophobicContact CD1-CB 4.39Å; F197-V252 HydrophobicContact CD1-CG2 3.33Å; F197-V252 HydrophobicContact CD2-CG2 4.35Å; F197-V252 HydrophobicContact CE1-CG2 3.75Å; F197-V252 HydrophobicContact CG-CB 4.28Å; F197-V252 HydrophobicContact CG-CG2 3.67Å; F197-V252 HydrophobicContact CZ-CG2 4.41Å; V252-S254 PolarHBondContact O-N 3.25Å
253P93.7Very high91.2Very high2 Ų238.8 Ų38.81%0.01321%0.209CC..PPolyproline II helixtrans-56.9139.7174-24.233.1000111.3Q190 L193 L202 L264 T265 N266Q190-P253 PolarHBondContact NE2-O 3.45Å; Q190-P253 PolarHBondContact OE1-O 2.8Å; L193-P253 HydrophobicContact CD1-CB 4.29Å; L193-P253 HydrophobicContact CD2-CB 4.37Å; L202-P253 HydrophobicContact CD1-CG 3.54Å; P253-L264 HydrophobicContact CB-CD1 3.93Å; P253-T265 WeakPolarHBondContact CA-O 3.41Å; P253-N266 WeakPolarHBondContact CB-OD1 3.09Å
254S95.2Very high92Very high42 Ų4238.6 Ų38.629%0.29421%0.208SC..EExtended strand (participates in β ladder)trans-102125.3175.7177.50000110.2V252 L264 T265V252-S254 PolarHBondContact O-N 3.25Å; S254-L264 WeakPolarHBondContact O-CA 2.97Å; S254-T265 WeakPolarHBondContact CB-OG1 3.35Å; S254-T265 PolarHBondContact N-O 3.21Å; S254-T265 PolarHBondContact O-N 2.7Å; S254-T265 PolarHBondContact O-OG1 3.09Å; S254-T265 VanDerWaalsContact O-OG1 3.14Å
255L92.5Very high92.7Very high17 Ų1740.2 Ų40.29%0.08922%0.219CC..EExtended strand (participates in β ladder)trans-111.9128.1173.3-17274.5000109.8A189 L193 Y257 A262 V263 L264 L295A189-L255 HydrophobicContact CB-CD2 3.39Å; L193-L255 HydrophobicContact CD1-CB 3.64Å; L255-Y257 HydrophobicContact CD2-CE1 3.57Å; L255-Y257 HydrophobicContact CG-CE1 4Å; L255-A262 HydrophobicContact CD1-CB 3.99Å; L255-V263 WeakPolarHBondContact CA-O 3.39Å; L255-L264 HydrophobicContact CB-CD1 4.33Å; L255-L264 HydrophobicContact CD1-CB 3.78Å; L255-L264 HydrophobicContact CD1-CD1 4.08Å; L255-L295 HydrophobicContact CD1-CD1 4.09Å
256Q93.8Very high93.3Very high90 Ų9040.6 Ų40.642%0.42122%0.221SC..EExtended strand (participates in β ladder)trans-125.8133.7175.9-65.7179.50.100110.4A262 V263Q256-A262 CarbonylContact O-C 3.51Å; Q256-A262 WeakPolarHBondContact O-CA 3.37Å; Q256-V263 PolarHBondContact N-O 3.09Å; Q256-V263 PolarHBondContact O-N 2.83Å
257Y92.7Very high93.6Very high21 Ų2143.2 Ų43.28%0.08223%0.233CC..EExtended strand (participates in β ladder)trans-89.3124.2172-62.5-26000110.5D186 A189 L255 A262 F369 H370 G372 S373 V374D186-Y257 VanDerWaalsContact CA-CD2 3.49Å; D186-Y257 HydrophobicContact CB-CD1 4.24Å; D186-Y257 HydrophobicContact CB-CD2 3.45Å; D186-Y257 VanDerWaalsContact CB-CD2 3.45Å; D186-Y257 HydrophobicContact CB-CE1 4.49Å; D186-Y257 HydrophobicContact CB-CE2 3.79Å; D186-Y257 HydrophobicContact CB-CG 3.73Å; D186-Y257 VanDerWaalsContact N-CD2 3.3Å; D186-Y257 VanDerWaalsContact N-CE2 3.33Å; D186-Y257 PolarHBondContact OD2-N 2.8Å; A189-Y257 WeakPolarHBondContact CB-OH 3.46Å; L255-Y257 HydrophobicContact CD2-CE1 3.57Å; L255-Y257 HydrophobicContact CG-CE1 4Å; Y257-A262 HydrophobicContact CD1-CB 3.49Å; Y257-A262 VanDerWaalsContact CD1-CB 3.49Å; Y257-A262 HydrophobicContact CE1-CB 3.7Å; Y257-F369 AromaticContact CD1-CD1 3.83Å; Y257-F369 HydrophobicContact CD1-CD1 3.83Å; Y257-F369 AromaticContact CD1-CE1 3.75Å; Y257-F369 HydrophobicContact CD1-CE1 3.75Å; Y257-F369 HydrophobicContact CE1-CD1 4.27Å; Y257-F369 AromaticContact CE1-CE1 3.74Å; Y257-F369 HydrophobicContact CE1-CE1 3.74Å; Y257-F369 HydrophobicContact CG-CD1 4.1Å; Y257-F369 HydrophobicContact CG-CE1 4.39Å; Y257-H370 CarbonylContact C-O 3.55Å; Y257-H370 VanDerWaalsContact C-O 3.25Å; Y257-H370 WeakPolarHBondContact CB-O 3.45Å; Y257-G372 PolarHBondContact O-N 2.94Å; Y257-S373 VanDerWaalsContact CD2-C 3.4Å; Y257-V374 HydrophobicContact CD2-CB 4.48Å; Y257-V374 HydrophobicContact CE2-CB 4.21Å; Y257-V374 HydrophobicContact CE2-CG1 4Å
258K93.4Very high93.9Very high75 Ų7543.3 Ų43.333%0.32623%0.233SC..EExtended strand (participates in β ladder)trans-122.5158.5176.7-62-170.9-178.2-175.70108.6G260 K261 V263 F369K258-G260 PolarHBondContact O-N 2.94Å; K258-K261 CarbonylContact C-O 3.57Å; K258-K261 HydrophobicContact CB-CG 4.37Å; K258-K261 PolarHBondContact N-O 3.45Å; K258-K261 PolarHBondContact O-N 3.28Å; K258-V263 HydrophobicContact CD-CG2 3.92Å; K258-V263 HydrophobicContact CG-CG2 4.37Å; K258-F369 VanDerWaalsContact O-CB 3.25Å; K258-F369 WeakPolarHBondContact O-CB 3.25Å
259P92.6Very high94Very high92 Ų9243.1 Ų43.160%0.59724%0.235SC*.THydrogen-bonded Turntrans-49.2119.8174.5-29.436.4000112.2K261 F369P259-K261 VanDerWaalsContact C-N 3.32Å; P259-K261 PolarHBondContact O-N 3.44Å; P259-F369 WeakPolarHBondContact CA-O 3.41Å
260G91.9Very high94Very high51 Ų5142.6 Ų42.653%0.52623%0.233SC..THydrogen-bonded Turntrans77.1-4177.600000117.3K258 F369K258-G260 PolarHBondContact O-N 2.94Å; G260-F369 PolarHBondContact N-O 3.13Å
261K93.8Very high93.9Very high59 Ų5941.6 Ų41.626%0.25723%0.225SC..EExtended strand (participates in β ladder)trans-157.7153.217960.3-179.8178174.30113.5K258 P259 V263 H294 L295 R296K258-K261 CarbonylContact C-O 3.57Å; K258-K261 HydrophobicContact CB-CG 4.37Å; K258-K261 PolarHBondContact N-O 3.45Å; K258-K261 PolarHBondContact O-N 3.28Å; P259-K261 VanDerWaalsContact C-N 3.32Å; P259-K261 PolarHBondContact O-N 3.44Å; K261-V263 HydrophobicContact CD-CG2 4.41Å; K261-V263 HydrophobicContact CG-CG2 4.5Å; K261-H294 PolarHBondContact NZ-CE1 2.04Å; K261-H294 PolarHBondContact NZ-NE2 3.45Å; K261-L295 CarbonylContact C-O 3.58Å; K261-L295 WeakPolarHBondContact CA-O 3.49Å; K261-R296 HydrophobicContact CB-CG 4.34Å
262A93.8Very high93.5Very high1 Ų135.9 Ų35.91%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-96.1143.515900000110.3L255 Q256 Y257 H294 L295 F369L255-A262 HydrophobicContact CD1-CB 3.99Å; Q256-A262 CarbonylContact O-C 3.51Å; Q256-A262 WeakPolarHBondContact O-CA 3.37Å; Y257-A262 HydrophobicContact CD1-CB 3.49Å; Y257-A262 VanDerWaalsContact CD1-CB 3.49Å; Y257-A262 HydrophobicContact CE1-CB 3.7Å; A262-H294 CarbonylContact O-C 3.55Å; A262-H294 WeakPolarHBondContact O-CA 3.14Å; A262-L295 HydrophobicContact CB-CB 4.1Å; A262-L295 HydrophobicContact CB-CD1 4.33Å; A262-L295 PolarHBondContact N-O 3.15Å; A262-L295 PolarHBondContact O-N 2.94Å; A262-F369 HydrophobicContact CB-CD1 4.34Å; A262-F369 HydrophobicContact CB-CE1 3.82Å; A262-F369 HydrophobicContact CB-CE2 4.24Å; A262-F369 HydrophobicContact CB-CZ 3.76Å
263V95.4Very high93.2Very high14 Ų1435.1 Ų35.19%0.08519%0.194CC..EExtended strand (participates in β ladder)trans-112.1114176.3-174.70000107.9L255 Q256 K258 K261 T265 T292L255-V263 WeakPolarHBondContact CA-O 3.39Å; Q256-V263 PolarHBondContact N-O 3.09Å; Q256-V263 PolarHBondContact O-N 2.83Å; K258-V263 HydrophobicContact CD-CG2 3.92Å; K258-V263 HydrophobicContact CG-CG2 4.37Å; K261-V263 HydrophobicContact CD-CG2 4.41Å; K261-V263 HydrophobicContact CG-CG2 4.5Å; V263-T265 HydrophobicContact CG1-CG2 4.29Å; V263-T292 HydrophobicContact CG1-CG2 3.83Å
264L94.5Very high92.8Very high8 Ų835 Ų354%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-103.2123.1175.1177.667.9000109L193 P253 S254 L255 T292 F293 L349L193-L264 HydrophobicContact CD1-CD1 4Å; P253-L264 HydrophobicContact CB-CD1 3.93Å; S254-L264 WeakPolarHBondContact O-CA 2.97Å; L255-L264 HydrophobicContact CB-CD1 4.33Å; L255-L264 HydrophobicContact CD1-CB 3.78Å; L255-L264 HydrophobicContact CD1-CD1 4.08Å; L264-T292 CarbonylContact O-C 3.58Å; L264-T292 WeakPolarHBondContact O-CA 3.08Å; L264-F293 HydrophobicContact CB-CB 4.36Å; L264-F293 HydrophobicContact CD2-CD2 4.41Å; L264-F293 PolarHBondContact N-O 3.4Å; L264-F293 PolarHBondContact O-N 3.32Å; L264-L349 HydrophobicContact CD2-CD1 4.14Å; L264-L349 HydrophobicContact CD2-CD2 3.72Å
265T95.5Very high92.1Very high54 Ų5437.4 Ų37.433%0.33120%0.196SC..EExtended strand (participates in β ladder)trans-115.3132.5176.953.40000109.9P253 S254 V263 A291 T292P253-T265 WeakPolarHBondContact CA-O 3.41Å; S254-T265 WeakPolarHBondContact CB-OG1 3.35Å; S254-T265 PolarHBondContact N-O 3.21Å; S254-T265 PolarHBondContact O-N 2.7Å; S254-T265 PolarHBondContact O-OG1 3.09Å; S254-T265 VanDerWaalsContact O-OG1 3.14Å; V263-T265 HydrophobicContact CG1-CG2 4.29Å; T265-A291 WeakPolarHBondContact CA-O 3.48Å; T265-T292 HydrophobicContact CG2-CG2 4.02Å
266N94.8Very high91.5Very high10 Ų1037.5 Ų37.55%0.05320%0.198CC..EExtended strand (participates in β ladder)trans-129.8137.2-176.4-50.8-89.3000109.4P253 M268 N290 A291 F293P253-N266 WeakPolarHBondContact CB-OD1 3.09Å; N266-M268 HydrophobicContact CB-CE 4.13Å; N266-M268 HydrophobicContact CB-CG 4.36Å; N266-M268 HydrophobicContact CB-SD 4.38Å; N266-N290 WeakPolarHBondContact O-CA 3.28Å; N266-A291 PolarHBondContact N-O 2.99Å; N266-A291 PolarHBondContact O-N 3.47Å; N266-F293 WeakPolarHBondContact ND2-CD2 3.28Å
267E95.5Very high90.5Very high68 Ų6840.3 Ų40.332%0.31822%0.215SC..EExtended strand (participates in β ladder)trans-118.6119.7171.8-138.5-176.5-175.400107.1T250 K251 N290T250-E267 PolarHBondContact N-O 3.07Å; T250-E267 PolarHBondContact OG1-O 3.46Å; K251-E267 WeakPolarHBondContact CD-OE2 3.43Å; K251-E267 WeakPolarHBondContact CE-OE2 3.49Å; K251-E267 IonicContact NZ-OE1 3.93Å; K251-E267 IonicContact NZ-OE2 2.69Å; K251-E267 PolarHBondContact NZ-OE2 2.83Å; E267-N290 WeakPolarHBondContact CG-OD1 3.47Å
268M95Very high89.7Confident2 Ų248 Ų481%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-134.9151.7-169.1-62.8172.6-71.700111.5V247 Y248 N266 A288 L289 A291 M314 V341 F345V247-M268 HydrophobicContact CG1-CB 4.22Å; V247-M268 HydrophobicContact CG1-CG 4.27Å; V247-M268 HydrophobicContact CG1-SD 3.72Å; Y248-M268 CarbonylContact O-C 3.5Å; Y248-M268 WeakPolarHBondContact O-CA 3.45Å; Y248-M268 WeakPolarHBondContact O-CB 3.05Å; N266-M268 HydrophobicContact CB-CE 4.13Å; N266-M268 HydrophobicContact CB-CG 4.36Å; N266-M268 HydrophobicContact CB-SD 4.38Å; M268-A288 CarbonylContact O-C 3.6Å; M268-A288 WeakPolarHBondContact O-CA 3.46Å; M268-L289 HydrophobicContact CB-CB 4.22Å; M268-L289 HydrophobicContact CE-CB 4.09Å; M268-L289 PolarHBondContact N-O 3.3Å; M268-L289 PolarHBondContact O-N 2.99Å; M268-A291 HydrophobicContact CE-CB 3.82Å; M268-M314 HydrophobicContact CE-CE 4.43Å; M268-V341 HydrophobicContact CE-CG1 3.95Å; M268-V341 HydrophobicContact SD-CG1 4.13Å; M268-F345 HydrophobicContact CE-CE2 4.3Å; M268-F345 HydrophobicContact SD-CE2 3.47Å; M268-F345 WeakPolarHBondContact SD-CE2 3.13Å; M268-F345 HydrophobicContact SD-CZ 3.52Å; M268-F345 VanDerWaalsContact SD-CZ 3.52Å
269E95.2Very high88.7Confident73 Ų7348.9 Ų48.934%0.34126%0.264SS..EExtended strand (participates in β ladder)trans-110.7135.4162.8-85.6176-172.400109.2Y248 T250 L286 T287Y248-E269 PolarHBondContact N-O 3.02Å; Y248-E269 PolarHBondContact O-N 3.46Å; T250-E269 HydrophobicContact CG2-CB 4Å; T250-E269 HydrophobicContact CG2-CG 3.51Å; E269-L286 HydrophobicContact CB-CD1 4.41Å; E269-L286 HydrophobicContact CG-CD1 4.47Å; E269-T287 CarbonylContact C-O 3.57Å; E269-T287 WeakPolarHBondContact CA-O 3.32Å
270V92.2Very high88Confident1 Ų150.1 Ų50.11%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-116.6118.8176.8-174.10000109.2L245 N246 V247 L286 T287 L289 I337 V341L245-V270 HydrophobicContact CD1-CG1 3.33Å; L245-V270 HydrophobicContact CD2-CG1 4.33Å; L245-V270 HydrophobicContact CG-CG1 3.78Å; N246-V270 CarbonylContact O-C 3.59Å; N246-V270 VanDerWaalsContact O-CA 3.32Å; N246-V270 WeakPolarHBondContact O-CA 3.06Å; V247-V270 HydrophobicContact CG1-CG2 4.2Å; V247-V270 HydrophobicContact CG2-CG1 4.39Å; V247-V270 HydrophobicContact CG2-CG2 4.18Å; V270-L286 WeakPolarHBondContact O-CA 3.46Å; V270-T287 PolarHBondContact N-O 2.89Å; V270-T287 PolarHBondContact O-N 3.22Å; V270-L289 HydrophobicContact CB-CD1 4.48Å; V270-L289 HydrophobicContact CG2-CB 4.46Å; V270-L289 HydrophobicContact CG2-CD1 3.32Å; V270-L289 HydrophobicContact CG2-CG 3.84Å; V270-I337 HydrophobicContact CB-CG2 4.22Å; V270-I337 HydrophobicContact CG1-CG2 3.71Å; V270-I337 HydrophobicContact CG2-CG2 4.33Å; V270-V341 HydrophobicContact CG2-CG2 4.21Å
271L91.2Very high87.5Confident38 Ų3853 Ų5320%0.19926%0.263CS..EExtended strand (participates in β ladder)trans-104.7119.2173.2-77.794.8000109.3N246 Y248 L285 L286N246-L271 PolarHBondContact N-O 2.89Å; N246-L271 PolarHBondContact O-N 3.2Å; Y248-L271 HydrophobicContact CD2-CD1 3.66Å; Y248-L271 HydrophobicContact CE2-CB 4.41Å; Y248-L271 HydrophobicContact CE2-CD1 3.64Å; L271-L285 WeakPolarHBondContact CA-O 3.32Å; L271-L286 HydrophobicContact CD1-CD1 3.51Å; L271-L286 HydrophobicContact CD2-CD1 4.28Å; L271-L286 HydrophobicContact CG-CD1 3.55Å
272L87.9Confident87.1Confident2 Ų253.6 Ų53.61%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-95.2128.4165.9-169.865.8000108.4L228 L231 I243 L245 I284 L285 L333L228-L272 HydrophobicContact CD2-CD1 4.4Å; L231-L272 HydrophobicContact CD1-CD2 3.69Å; I243-L272 HydrophobicContact CG2-CD1 3.34Å; I243-L272 HydrophobicContact CG2-CG 4.12Å; L245-L272 HydrophobicContact CB-CD1 4.3Å; L245-L272 HydrophobicContact CD1-CB 4.33Å; L245-L272 HydrophobicContact CD1-CD1 3.74Å; L272-I284 HydrophobicContact CB-CB 4.27Å; L272-I284 HydrophobicContact CD2-CB 4.22Å; L272-I284 HydrophobicContact CD2-CG2 3.79Å; L272-I284 HydrophobicContact CG-CB 4.09Å; L272-I284 HydrophobicContact CG-CD1 4.27Å; L272-I284 HydrophobicContact CG-CG2 4.22Å; L272-I284 WeakPolarHBondContact O-CB 3.04Å; L272-I284 PolarHBondContact O-N 2.92Å; L272-L285 HydrophobicContact CB-CB 4Å; L272-L285 HydrophobicContact CD2-CB 4.43Å; L272-L285 PolarHBondContact N-O 3.44Å; L272-L285 PolarHBondContact O-N 3.3Å; L272-L333 HydrophobicContact CD2-CD1 3.93Å; L272-L333 HydrophobicContact CD2-CD2 4.02Å; L272-L333 HydrophobicContact CD2-CG 4.4Å
273Y87.1Confident86.9Confident17 Ų1759.7 Ų59.77%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-137.1156.7175.252.6-76000110I243 E244 N246 M281 H282I243-Y273 WeakPolarHBondContact CA-O 3.14Å; E244-Y273 HydrophobicContact CB-CD1 4.47Å; E244-Y273 HydrophobicContact CB-CD2 3.88Å; E244-Y273 HydrophobicContact CB-CE1 3.94Å; E244-Y273 HydrophobicContact CB-CE2 3.38Å; E244-Y273 HydrophobicContact CB-CG 4.44Å; E244-Y273 VanDerWaalsContact CB-CZ 3.43Å; E244-Y273 VanDerWaalsContact CD-CE2 3.44Å; E244-Y273 HydrophobicContact CG-CE1 3.87Å; E244-Y273 HydrophobicContact CG-CE2 3.6Å; E244-Y273 WeakPolarHBondContact CG-OH 3.17Å; E244-Y273 PolarHBondContact N-O 2.88Å; E244-Y273 WeakPolarHBondContact O-CD1 3.46Å; E244-Y273 VanDerWaalsContact O-CE1 3.29Å; E244-Y273 WeakPolarHBondContact O-CE1 3.38Å; E244-Y273 PolarHBondContact O-N 2.77Å; E244-Y273 PolarHBondContact OE1-OH 2.84Å; E244-Y273 WeakPolarHBondContact OE2-CE2 3.35Å; E244-Y273 PolarHBondContact OE2-OH 2.83Å; E244-Y273 VanDerWaalsContact OE2-OH 3.12Å; N246-Y273 HydrophobicContact CB-CE1 3.91Å; N246-Y273 WeakPolarHBondContact ND2-CE1 3.41Å; N246-Y273 VanDerWaalsContact ND2-CZ 3.27Å; N246-Y273 PolarHBondContact ND2-OH 2.81Å; N246-Y273 WeakPolarHBondContact OD1-CE1 3.18Å; N246-Y273 PolarHBondContact OD1-OH 2.92Å; Y273-M281 HydrophobicContact CD2-CG 4.38Å; Y273-M281 HydrophobicContact CD2-SD 3.6Å; Y273-M281 VanDerWaalsContact CD2-SD 3.6Å; Y273-M281 HydrophobicContact CE2-SD 3.45Å; Y273-M281 WeakPolarHBondContact CE2-SD 3.35Å; Y273-H282 CarbonylContact C-O 3.52Å; Y273-H282 WeakPolarHBondContact CA-O 3.42Å; Y273-H282 WeakPolarHBondContact CB-O 3.39Å
274S84.5Confident86.5Confident0 Ų059 Ų590%029%0.289CS..EExtended strand (participates in β ladder)trans-103.1146.1162.160.40000109.7W234 E241 E242 M281 H282W234-S274 WeakPolarHBondContact CZ2-OG 3.44Å; E241-S274 WeakPolarHBondContact OE2-CB 3.39Å; E241-S274 PolarHBondContact OE2-OG 2.91Å; E242-S274 CarbonylContact O-C 3.59Å; E242-S274 WeakPolarHBondContact O-CA 3.41Å; S274-M281 CarbonylContact O-C 3.58Å; S274-M281 WeakPolarHBondContact O-CA 3.13Å; S274-H282 PolarHBondContact N-O 2.62Å; S274-H282 PolarHBondContact O-N 2.71Å
275R80.8Confident86.3Confident93 Ų9358.7 Ų58.735%0.35129%0.288SS..EExtended strand (participates in β ladder)trans-119.1121.1172.1-178.7178.8-74158.79.2108.5E241 E242 E244 Q280 M281E241-R275 WeakPolarHBondContact CA-O 3.42Å; E242-R275 PolarHBondContact N-O 3.16Å; E242-R275 PolarHBondContact O-N 2.9Å; E244-R275 IonicContact OE2-CZ 3.95Å; E244-R275 IonicContact OE2-NH1 3.41Å; E244-R275 IonicContact OE2-NH2 3.98Å; E244-R275 PolarHBondContact OE2-NH2 3.3Å; R275-Q280 WeakPolarHBondContact CA-O 3.45Å; R275-M281 HydrophobicContact CB-CG 4.42Å; R275-M281 HydrophobicContact CG-CG 4.34Å; R275-M281 PolarHBondContact NH2-SD 3.18Å
276S79.3Confident86.2Confident19 Ų1957.3 Ų57.313%0.13328%0.278CS..EExtended strand (participates in β ladder)trans-75.8160.9172.2760000111.5K278 S279 Q280S276-K278 PolarHBondContact O-N 3.28Å; S276-K278 PolarHBondContact OG-N 3.05Å; S276-S279 PolarHBondContact O-N 3.14Å; S276-Q280 PolarHBondContact N-O 2.77Å; S276-Q280 PolarHBondContact OG-N 3.43Å
277L72.7Confident86.1Confident149 Ų14956.9 Ų56.978%0.7828%0.276SS*.THydrogen-bonded Turntrans-54.8-24.7172.4-70.8165.8000113D240 S279D240-L277 HydrophobicContact CB-CD1 4.27Å; L277-S279 PolarHBondContact O-N 2.96Å
278K76.3Confident86.1Confident183 Ų18354.8 Ų54.880%0.79627%0.27SS*.THydrogen-bonded Turntrans-8410.9175.7-63.4-179.1-178.1174.30113.6S276 Q280S276-K278 PolarHBondContact O-N 3.28Å; S276-K278 PolarHBondContact OG-N 3.05Å; K278-Q280 PolarHBondContact O-N 3.44Å
279S72.2Confident86.1Confident92 Ų9254.7 Ų54.764%0.64327%0.269SS*.  trans62.116.3-177.6-56.90000115.3S276 L277S276-S279 PolarHBondContact O-N 3.14Å; L277-S279 PolarHBondContact O-N 2.96Å
280Q77.6Confident86.1Confident118 Ų11854.4 Ų54.455%0.55127%0.27SS*.  trans-74.2134.1167.1-71.9-177.7-22.300108.9R275 S276 K278R275-Q280 WeakPolarHBondContact CA-O 3.45Å; S276-Q280 PolarHBondContact N-O 2.77Å; S276-Q280 PolarHBondContact OG-N 3.43Å; K278-Q280 PolarHBondContact O-N 3.44Å
281M82.8Confident86.2Confident111 Ų11154.4 Ų54.455%0.54727%0.27SS..EExtended strand (participates in β ladder)trans-108.3121.8177.3-69.9-152.5-109.600110.3Y273 S274 R275Y273-M281 HydrophobicContact CD2-CG 4.38Å; Y273-M281 HydrophobicContact CD2-SD 3.6Å; Y273-M281 VanDerWaalsContact CD2-SD 3.6Å; Y273-M281 HydrophobicContact CE2-SD 3.45Å; Y273-M281 WeakPolarHBondContact CE2-SD 3.35Å; S274-M281 CarbonylContact O-C 3.58Å; S274-M281 WeakPolarHBondContact O-CA 3.13Å; R275-M281 HydrophobicContact CB-CG 4.42Å; R275-M281 HydrophobicContact CG-CG 4.34Å; R275-M281 PolarHBondContact NH2-SD 3.18Å
282H85.6Confident86.3Confident73 Ų7354.4 Ų54.434%0.33827%0.272SS..EExtended strand (participates in β ladder)trans-106.5126.8176-61.5-74.5000109.7W234 E241 Y273 S274W234-H282 HydrophobicContact CZ2-CB 4.26Å; E241-H282 IonicContact OE1-CD2 2.63Å; E241-H282 PolarHBondContact OE1-CD2 2.95Å; E241-H282 IonicContact OE1-NE2 3.05Å; Y273-H282 CarbonylContact C-O 3.52Å; Y273-H282 WeakPolarHBondContact CA-O 3.42Å; Y273-H282 WeakPolarHBondContact CB-O 3.39Å; S274-H282 PolarHBondContact N-O 2.62Å; S274-H282 PolarHBondContact O-N 2.71Å
283K88.7Confident86.6Confident128 Ų12854.3 Ų54.356%0.55727%0.272SS*.EExtended strand (participates in β ladder)trans-76.5128.4175.3-66.2-179.4-178.11780108.7Y322K283-Y322 HydrophobicContact CB-CD2 3.96Å; K283-Y322 HydrophobicContact CB-CE2 3.94Å; K283-Y322 HydrophobicContact CD-CE2 4.49Å; K283-Y322 VanDerWaalsContact O-CB 3.23Å; K283-Y322 WeakPolarHBondContact O-CB 3.19Å
284I87.1Confident86.9Confident0 Ų054.5 Ų54.50%027%0.273CS..EExtended strand (participates in β ladder)trans-101.6-53.2-179.5-63.7177.2000109.5L231 W234 L272 Y322 L323L231-I284 HydrophobicContact CD1-CG2 4.02Å; W234-I284 HydrophobicContact CD2-CD1 4.27Å; W234-I284 HydrophobicContact CD2-CG1 4.38Å; W234-I284 HydrophobicContact CG-CD1 4.42Å; W234-I284 HydrophobicContact CH2-CG1 4.27Å; W234-I284 HydrophobicContact CZ2-CD1 4.24Å; W234-I284 HydrophobicContact CZ2-CG1 3.89Å; L272-I284 HydrophobicContact CB-CB 4.27Å; L272-I284 HydrophobicContact CD2-CB 4.22Å; L272-I284 HydrophobicContact CD2-CG2 3.79Å; L272-I284 HydrophobicContact CG-CB 4.09Å; L272-I284 HydrophobicContact CG-CD1 4.27Å; L272-I284 HydrophobicContact CG-CG2 4.22Å; L272-I284 WeakPolarHBondContact O-CB 3.04Å; L272-I284 PolarHBondContact O-N 2.92Å; I284-Y322 WeakPolarHBondContact O-CB 3.17Å; I284-Y322 PolarHBondContact O-N 2.96Å; I284-L323 HydrophobicContact CG2-CD1 3.32Å; I284-L323 HydrophobicContact CG2-CD2 3.89Å; I284-L323 HydrophobicContact CG2-CG 3.53Å
285L89.9Confident87.2Confident2 Ų255.1 Ų55.11%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-148139.6-174.5-170.571.8000110.6L271 L272 T287 V318 N321 L330 L333 V334 I337L271-L285 WeakPolarHBondContact CA-O 3.32Å; L272-L285 HydrophobicContact CB-CB 4Å; L272-L285 HydrophobicContact CD2-CB 4.43Å; L272-L285 PolarHBondContact N-O 3.44Å; L272-L285 PolarHBondContact O-N 3.3Å; L285-T287 WeakPolarHBondContact CD2-OG1 3.23Å; L285-V318 HydrophobicContact CD1-CG1 3.7Å; L285-V318 HydrophobicContact CD1-CG2 4.43Å; L285-N321 HydrophobicContact CD1-CB 4.18Å; L285-L330 HydrophobicContact CD1-CD1 3.67Å; L285-L330 HydrophobicContact CD2-CD1 4.32Å; L285-L333 HydrophobicContact CD2-CD2 3.82Å; L285-L333 HydrophobicContact CD2-CG 4.18Å; L285-V334 HydrophobicContact CD2-CG2 4.28Å; L285-I337 HydrophobicContact CD2-CD1 3.7Å
286L93.4Very high87.6Confident25 Ų2556.8 Ų56.813%0.13128%0.283CS..EExtended strand (participates in β ladder)trans-118.7121.3166.9175.667.5000109E269 V270 L271 L319 K320E269-L286 HydrophobicContact CB-CD1 4.41Å; E269-L286 HydrophobicContact CG-CD1 4.47Å; V270-L286 WeakPolarHBondContact O-CA 3.46Å; L271-L286 HydrophobicContact CD1-CD1 3.51Å; L271-L286 HydrophobicContact CD2-CD1 4.28Å; L271-L286 HydrophobicContact CG-CD1 3.55Å; L286-L319 HydrophobicContact CD2-CB 4.07Å; L286-L319 HydrophobicContact CD2-CD1 4.13Å; L286-L319 HydrophobicContact CG-CB 4.04Å; L286-L319 HydrophobicContact CG-CD1 4.09Å; L286-L319 PolarHBondContact O-N 3.08Å; L286-K320 HydrophobicContact CB-CB 4.13Å; L286-K320 HydrophobicContact CD2-CD 4.31Å; L286-K320 HydrophobicContact CD2-CG 4.28Å; L286-K320 PolarHBondContact N-O 2.78Å; L286-K320 PolarHBondContact O-N 2.76Å; L286-K320 VanDerWaalsContact O-N 3.15Å
287T93.4Very high88Confident0 Ų057.7 Ų57.70%029%0.286CS..EExtended strand (participates in β ladder)trans-126.6134.7-177.5-49.80000110.1E269 V270 L285 L289 A316 V317E269-T287 CarbonylContact C-O 3.57Å; E269-T287 WeakPolarHBondContact CA-O 3.32Å; V270-T287 PolarHBondContact N-O 2.89Å; V270-T287 PolarHBondContact O-N 3.22Å; L285-T287 WeakPolarHBondContact CD2-OG1 3.23Å; T287-L289 HydrophobicContact CG2-CD2 4.49Å; T287-A316 HydrophobicContact CG2-CB 3.94Å; T287-V317 CarbonylContact C-O 3.59Å; T287-V317 WeakPolarHBondContact CA-O 3.33Å; T287-V317 WeakPolarHBondContact CG2-O 3.5Å
288A95.9Very high88.4Confident24 Ų2451 Ų5120%0.19825%0.251CS..EExtended strand (participates in β ladder)trans-85.5132.3164.900000109.6M268 A316 V317 L319M268-A288 CarbonylContact O-C 3.6Å; M268-A288 WeakPolarHBondContact O-CA 3.46Å; A288-A316 CarbonylContact O-C 3.56Å; A288-A316 VanDerWaalsContact O-CA 3.32Å; A288-A316 WeakPolarHBondContact O-CA 3.41Å; A288-V317 PolarHBondContact N-O 2.82Å; A288-V317 PolarHBondContact O-N 3.3Å; A288-L319 HydrophobicContact CB-CD1 3.98Å; A288-L319 HydrophobicContact CB-CD2 4.12Å; A288-L319 HydrophobicContact CB-CG 4.02Å
289L94.5Very high88Confident0 Ų048.7 Ų48.70%026%0.255CS..EExtended strand (participates in β ladder)trans-120.6125.4176.6-75.6-176.8000111.2M268 V270 T287 M314 E315 A316 I337 K338 V341M268-L289 HydrophobicContact CB-CB 4.22Å; M268-L289 HydrophobicContact CE-CB 4.09Å; M268-L289 PolarHBondContact N-O 3.3Å; M268-L289 PolarHBondContact O-N 2.99Å; V270-L289 HydrophobicContact CB-CD1 4.48Å; V270-L289 HydrophobicContact CG2-CB 4.46Å; V270-L289 HydrophobicContact CG2-CD1 3.32Å; V270-L289 HydrophobicContact CG2-CG 3.84Å; T287-L289 HydrophobicContact CG2-CD2 4.49Å; L289-M314 HydrophobicContact CD1-CE 4.36Å; L289-E315 WeakPolarHBondContact CA-O 3.2Å; L289-E315 WeakPolarHBondContact CD2-O 3.5Å; L289-A316 HydrophobicContact CD2-CB 3.43Å; L289-A316 VanDerWaalsContact CD2-CB 3.43Å; L289-I337 HydrophobicContact CD1-CG2 4.26Å; L289-K338 HydrophobicContact CD2-CG 3.82Å; L289-V341 HydrophobicContact CD1-CB 4.08Å; L289-V341 HydrophobicContact CD1-CG1 4.13Å; L289-V341 HydrophobicContact CD1-CG2 3.75Å
290N95.2Very high87.8Confident67 Ų6746.7 Ų46.736%0.35824%0.239SC..EExtended strand (participates in β ladder)trans-112117.4171.4-67.5-16000109N266 E267 M314 E315N266-N290 WeakPolarHBondContact O-CA 3.28Å; E267-N290 WeakPolarHBondContact CG-OD1 3.47Å; N290-M314 WeakPolarHBondContact O-CA 3.41Å; N290-E315 PolarHBondContact N-O 2.63Å; N290-E315 PolarHBondContact O-N 2.71Å
291A93.7Very high87.1Confident1 Ų147.3 Ų47.31%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-126.4132.1-17400000111.9T265 N266 M268 F293 R313 M314T265-A291 WeakPolarHBondContact CA-O 3.48Å; N266-A291 PolarHBondContact N-O 2.99Å; N266-A291 PolarHBondContact O-N 3.47Å; M268-A291 HydrophobicContact CE-CB 3.82Å; A291-F293 HydrophobicContact CB-CD2 4.48Å; A291-F293 HydrophobicContact CB-CE2 3.73Å; A291-F293 HydrophobicContact CB-CZ 4.27Å; A291-R313 WeakPolarHBondContact CA-O 3.4Å; A291-M314 HydrophobicContact CB-CE 4.01Å; A291-M314 HydrophobicContact CB-CG 4.2Å
292T94.6Very high86.2Confident39 Ų3944.3 Ų44.324%0.23925%0.249CC..EExtended strand (participates in β ladder)trans-119.7121.9173.6-56.20000110.3V263 L264 T265 M312 R313V263-T292 HydrophobicContact CG1-CG2 3.83Å; L264-T292 CarbonylContact O-C 3.58Å; L264-T292 WeakPolarHBondContact O-CA 3.08Å; T265-T292 HydrophobicContact CG2-CG2 4.02Å; T292-M312 PolarHBondContact O-N 2.82Å; T292-R313 PolarHBondContact N-O 2.94Å; T292-R313 PolarHBondContact O-N 2.89Å
293F92.5Very high85Confident0 Ų043.7 Ų43.70%024%0.243CC..EExtended strand (participates in β ladder)trans-111.2137.2176.3-58.3-94.5000110.3L264 N266 A291 T311 F345 L349L264-F293 HydrophobicContact CB-CB 4.36Å; L264-F293 HydrophobicContact CD2-CD2 4.41Å; L264-F293 PolarHBondContact N-O 3.4Å; L264-F293 PolarHBondContact O-N 3.32Å; N266-F293 WeakPolarHBondContact ND2-CD2 3.28Å; A291-F293 HydrophobicContact CB-CD2 4.48Å; A291-F293 HydrophobicContact CB-CE2 3.73Å; A291-F293 HydrophobicContact CB-CZ 4.27Å; F293-T311 WeakPolarHBondContact CD1-OG1 3.41Å; F293-T311 HydrophobicContact CE1-CG2 4.4Å; F293-T311 WeakPolarHBondContact CE1-OG1 3.33Å; F293-F345 HydrophobicContact CE1-CB 4.14Å; F293-F345 HydrophobicContact CE2-CB 4.37Å; F293-F345 HydrophobicContact CE2-CD1 4.35Å; F293-F345 HydrophobicContact CE2-CG 4.37Å; F293-F345 HydrophobicContact CZ-CB 3.72Å; F293-F345 HydrophobicContact CZ-CD1 4.5Å; F293-F345 HydrophobicContact CZ-CG 4.1Å; F293-L349 HydrophobicContact CB-CD1 4.13Å; F293-L349 HydrophobicContact CD1-CD1 3.81Å; F293-L349 HydrophobicContact CD2-CD1 4.18Å; F293-L349 HydrophobicContact CE1-CD1 4.22Å; F293-L349 HydrophobicContact CG-CD1 3.79Å
294H93.6Very high83.6Confident21 Ų2139.8 Ų39.810%0.09723%0.23CC..EExtended strand (participates in β ladder)trans-97120.7164.2-75.7170.8000109.2K261 A262 Q310 M312K261-H294 PolarHBondContact NZ-CE1 2.04Å; K261-H294 PolarHBondContact NZ-NE2 3.45Å; A262-H294 CarbonylContact O-C 3.55Å; A262-H294 WeakPolarHBondContact O-CA 3.14Å; H294-Q310 PolarHBondContact N-O 3.39Å; H294-Q310 PolarHBondContact O-N 3.41Å; H294-M312 HydrophobicContact CB-CG 3.99Å; H294-M312 HydrophobicContact CB-SD 4.43Å; H294-M312 WeakPolarHBondContact CE1-CG 3.44Å; H294-M312 VanDerWaalsContact CE1-SD 3.55Å; H294-M312 WeakPolarHBondContact ND1-CG 3.36Å; H294-M312 PolarHBondContact ND1-SD 2.54Å
295L91.4Very high82.6Confident12 Ų1241 Ų416%0.06324%0.235CC..EExtended strand (participates in β ladder)trans-97.8130.4173-47.9173.4000108.7L255 K261 A262 N308 A309 L349 F369L255-L295 HydrophobicContact CD1-CD1 4.09Å; K261-L295 CarbonylContact C-O 3.58Å; K261-L295 WeakPolarHBondContact CA-O 3.49Å; A262-L295 HydrophobicContact CB-CB 4.1Å; A262-L295 HydrophobicContact CB-CD1 4.33Å; A262-L295 PolarHBondContact N-O 3.15Å; A262-L295 PolarHBondContact O-N 2.94Å; L295-N308 WeakPolarHBondContact CA-O 3.47Å; L295-A309 HydrophobicContact CD2-CB 3.65Å; L295-L349 HydrophobicContact CD1-CD2 4.39Å; L295-L349 HydrophobicContact CD2-CB 3.86Å; L295-L349 HydrophobicContact CD2-CD1 4.06Å; L295-L349 HydrophobicContact CD2-CD2 4.03Å; L295-L349 HydrophobicContact CD2-CG 4.19Å; L295-F369 WeakPolarHBondContact O-CE2 3.33Å
296R90.3Very high81.9Confident128 Ų12844.6 Ų44.648%0.48325%0.251SS..EExtended strand (participates in β ladder)trans-122.5145.7175-70.4-178.6173.5166.2-1.7109.8K261 A298 L307 N308K261-R296 HydrophobicContact CB-CG 4.34Å; R296-A298 PolarHBondContact O-N 3.5Å; R296-L307 CarbonylContact O-C 3.6Å; R296-L307 WeakPolarHBondContact O-CA 3.28Å; R296-N308 PolarHBondContact N-O 2.83Å; R296-N308 PolarHBondContact O-N 2.89Å
297I86.3Confident81.3Confident39 Ų3944.5 Ų44.520%0.225%0.251CS..EExtended strand (participates in β ladder)trans-74.2121.7173.4-61.3167.8000107.1F305 L307 A367 F369 V374I297-F305 HydrophobicContact CB-CE2 4.06Å; I297-F305 HydrophobicContact CD1-CE2 3.64Å; I297-F305 HydrophobicContact CD1-CZ 3.92Å; I297-F305 HydrophobicContact CG1-CE2 3.48Å; I297-F305 VanDerWaalsContact CG1-CE2 3.48Å; I297-F305 HydrophobicContact CG1-CZ 3.59Å; I297-F305 HydrophobicContact CG2-CD2 3.95Å; I297-F305 HydrophobicContact CG2-CE2 3.47Å; I297-F305 VanDerWaalsContact CG2-CE2 3.47Å; I297-F305 HydrophobicContact CG2-CZ 4.32Å; I297-L307 HydrophobicContact CG1-CD2 4.02Å; I297-A367 HydrophobicContact CD1-CB 4.07Å; I297-A367 HydrophobicContact CG2-CB 3.95Å; I297-F369 HydrophobicContact CD1-CD2 3.86Å; I297-F369 HydrophobicContact CD1-CE2 3.85Å; I297-F369 HydrophobicContact CD1-CG 4.27Å; I297-F369 HydrophobicContact CD1-CZ 4.2Å; I297-F369 HydrophobicContact CG1-CD2 3.94Å; I297-F369 HydrophobicContact CG1-CE2 3.51Å; I297-F369 HydrophobicContact CG1-CZ 3.99Å; I297-V374 HydrophobicContact CD1-CG2 3.96Å
298A81.4Confident80.7Confident7 Ų747.6 Ų47.66%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-86.5144.6174.100000109.5R296 T300 K306R296-A298 PolarHBondContact O-N 3.5Å; A298-T300 PolarHBondContact O-N 2.98Å; A298-K306 HydrophobicContact CB-CB 4.06Å; A298-K306 HydrophobicContact CB-CD 4.19Å; A298-K306 HydrophobicContact CB-CG 4.08Å; A298-K306 PolarHBondContact N-O 2.83Å
299P67.4Low80.2Confident135 Ų13547 Ų4788%0.87726%0.262SS*.PPolyproline II helixtrans-57.9132.7172.6-18.529.5000110.1
300T69.5Low79.7Confident50 Ų5051.7 Ų51.731%0.30728%0.284SS..  trans-139.5153.3178.6440000110.3A298 V304 K306A298-T300 PolarHBondContact O-N 2.98Å; T300-V304 WeakPolarHBondContact CB-O 3.34Å; T300-V304 HydrophobicContact CG2-CG1 4.2Å; T300-V304 PolarHBondContact OG1-O 2.86Å; T300-K306 HydrophobicContact CG2-CB 3.35Å
301T61.3Low79.1Confident131 Ų13150.3 Ų50.380%0.80428%0.278SS*.  trans-103.8145.1174.953.80000110.7
302G64.1Low78.8Confident48 Ų4855 Ų5550%0.49530%0.301SS..THydrogen-bonded Turntrans71.4-139176.500000114.2V304G302-V304 PolarHBondContact O-N 2.82Å
303R60.4Low78.6Confident60 Ų6060 Ų6023%0.22632%0.315CS..THydrogen-bonded Turntrans-84.610.3-173.4-55.6-171.9-168.8-165.93.1114.3K354 L355 A357 A360 M362R303-K354 HydrophobicContact CB-CG 4.32Å; R303-K354 WeakPolarHBondContact O-CA 2.97Å; R303-L355 PolarHBondContact O-N 2.83Å; R303-L355 VanDerWaalsContact O-N 3.16Å; R303-A357 PolarHBondContact NH1-O 2.8Å; R303-A360 PolarHBondContact NH1-O 3.39Å; R303-A360 PolarHBondContact NH2-O 3.15Å; R303-M362 HydrophobicContact CB-CE 4.08Å; R303-M362 HydrophobicContact CG-CE 3.88Å
304V59.7Low78.5Confident47 Ų4761 Ų6129%0.28532%0.32SS..EExtended strand (participates in β ladder)trans-99.1130.3-173-174.40000107.8T300 G302 F353T300-V304 WeakPolarHBondContact CB-O 3.34Å; T300-V304 HydrophobicContact CG2-CG1 4.2Å; T300-V304 PolarHBondContact OG1-O 2.86Å; G302-V304 PolarHBondContact O-N 2.82Å; V304-F353 CarbonylContact C-O 3.48Å; V304-F353 VanDerWaalsContact CA-O 3.25Å; V304-F353 WeakPolarHBondContact CA-O 3.39Å
305F66.5Low78.5Confident24 Ų2463.8 Ų63.811%0.10533%0.334CS..EExtended strand (participates in β ladder)trans-107.8135.2164.6170.9-105000106.5I297 L307 S352 F353 A367 L376I297-F305 HydrophobicContact CB-CE2 4.06Å; I297-F305 HydrophobicContact CD1-CE2 3.64Å; I297-F305 HydrophobicContact CD1-CZ 3.92Å; I297-F305 HydrophobicContact CG1-CE2 3.48Å; I297-F305 VanDerWaalsContact CG1-CE2 3.48Å; I297-F305 HydrophobicContact CG1-CZ 3.59Å; I297-F305 HydrophobicContact CG2-CD2 3.95Å; I297-F305 HydrophobicContact CG2-CE2 3.47Å; I297-F305 VanDerWaalsContact CG2-CE2 3.47Å; I297-F305 HydrophobicContact CG2-CZ 4.32Å; F305-L307 HydrophobicContact CD1-CG 4.46Å; F305-L307 HydrophobicContact CE1-CD1 4.1Å; F305-L307 HydrophobicContact CE1-CD2 3.65Å; F305-L307 HydrophobicContact CE1-CG 3.67Å; F305-L307 HydrophobicContact CZ-CD2 3.59Å; F305-L307 HydrophobicContact CZ-CG 4.15Å; F305-S352 CarbonylContact O-C 3.57Å; F305-S352 WeakPolarHBondContact O-CA 3.49Å; F305-F353 HydrophobicContact CB-CB 4.24Å; F305-F353 HydrophobicContact CD1-CB 4.37Å; F305-F353 AromaticContact CD1-CD2 3.46Å; F305-F353 HydrophobicContact CD1-CD2 3.46Å; F305-F353 VanDerWaalsContact CD1-CD2 3.46Å; F305-F353 AromaticContact CD1-CE2 3.88Å; F305-F353 HydrophobicContact CD1-CE2 3.88Å; F305-F353 HydrophobicContact CD1-CG 4.02Å; F305-F353 HydrophobicContact CE1-CD2 4.19Å; F305-F353 HydrophobicContact CE1-CE2 4.15Å; F305-F353 HydrophobicContact CG-CD2 4.42Å; F305-F353 PolarHBondContact N-O 3.28Å; F305-F353 WeakPolarHBondContact O-CD2 3.23Å; F305-F353 PolarHBondContact O-N 2.86Å; F305-A367 HydrophobicContact CD2-CB 3.85Å; F305-A367 HydrophobicContact CE2-CB 3.7Å; F305-L376 HydrophobicContact CD2-CD2 4.21Å; F305-L376 HydrophobicContact CE2-CD2 4.13Å
306K75.1Confident78.5Confident78 Ų7864.7 Ų64.734%0.33934%0.343SS..EExtended strand (participates in β ladder)trans-124.9138.4178.1-178-178.4179.9-172.30109.6A298 T300 N308 M351A298-K306 HydrophobicContact CB-CB 4.06Å; A298-K306 HydrophobicContact CB-CD 4.19Å; A298-K306 HydrophobicContact CB-CG 4.08Å; A298-K306 PolarHBondContact N-O 2.83Å; T300-K306 HydrophobicContact CG2-CB 3.35Å; K306-N308 VanDerWaalsContact CE-OD1 3.32Å; K306-N308 WeakPolarHBondContact CE-OD1 3.25Å; K306-M351 WeakPolarHBondContact CA-O 3.28Å
307L80.4Confident78.7Confident23 Ų2362.8 Ų62.812%0.1235%0.345CS..EExtended strand (participates in β ladder)trans-104.7136.2169.2-66.5173.9000109.1R296 I297 F305 E350 M351 F353 F369R296-L307 CarbonylContact O-C 3.6Å; R296-L307 WeakPolarHBondContact O-CA 3.28Å; I297-L307 HydrophobicContact CG1-CD2 4.02Å; F305-L307 HydrophobicContact CD1-CG 4.46Å; F305-L307 HydrophobicContact CE1-CD1 4.1Å; F305-L307 HydrophobicContact CE1-CD2 3.65Å; F305-L307 HydrophobicContact CE1-CG 3.67Å; F305-L307 HydrophobicContact CZ-CD2 3.59Å; F305-L307 HydrophobicContact CZ-CG 4.15Å; L307-E350 WeakPolarHBondContact O-CA 3.46Å; L307-M351 PolarHBondContact N-O 3.35Å; L307-M351 VanDerWaalsContact N-O 3.08Å; L307-F353 HydrophobicContact CD1-CE2 3.81Å; L307-F353 HydrophobicContact CD1-CZ 3.89Å; L307-F353 HydrophobicContact CG-CE2 3.98Å; L307-F369 HydrophobicContact CD2-CE2 4.33Å; L307-F369 HydrophobicContact CD2-CZ 4.01Å
308N81.8Confident79Confident65 Ų6563.4 Ų63.435%0.34835%0.351SS..EExtended strand (participates in β ladder)trans-106.6132.3165.9-71.8-9.4000107.9L295 R296 K306L295-N308 WeakPolarHBondContact CA-O 3.47Å; R296-N308 PolarHBondContact N-O 2.83Å; R296-N308 PolarHBondContact O-N 2.89Å; K306-N308 VanDerWaalsContact CE-OD1 3.32Å; K306-N308 WeakPolarHBondContact CE-OD1 3.25Å
309A83.7Confident79.6Confident11 Ų1167 Ų679%0.09137%0.369CS..EExtended strand (participates in β ladder)trans-102.6127.6177.200000109.9L295 L349L295-A309 HydrophobicContact CD2-CB 3.65Å; A309-L349 HydrophobicContact CB-CB 3.41Å; A309-L349 VanDerWaalsContact CB-CB 3.41Å; A309-L349 HydrophobicContact CB-CD1 4Å; A309-L349 HydrophobicContact CB-CG 4.36Å
310Q85.4Confident80.8Confident100 Ų10066 Ų6647%0.46735%0.351SS..EExtended strand (participates in β ladder)trans-117.2123.9171.9-174.9178.85.100108.6H294 M312H294-Q310 PolarHBondContact N-O 3.39Å; H294-Q310 PolarHBondContact O-N 3.41Å; Q310-M312 PolarHBondContact O-N 3.36Å
311T82.4Confident81.6Confident38 Ų3866.7 Ų66.723%0.23335%0.352CS..EExtended strand (participates in β ladder)trans-76.7127.8174.7-61.80000109.9F293 M314 H342F293-T311 WeakPolarHBondContact CD1-OG1 3.41Å; F293-T311 HydrophobicContact CE1-CG2 4.4Å; F293-T311 WeakPolarHBondContact CE1-OG1 3.33Å; T311-M314 HydrophobicContact CG2-CB 4.33Å; T311-H342 VanDerWaalsContact CB-CD2 3.5Å; T311-H342 WeakPolarHBondContact CB-CD2 3.49Å; T311-H342 WeakPolarHBondContact CB-NE2 3.4Å; T311-H342 PolarHBondContact OG1-CD2 3.44Å; T311-H342 PolarHBondContact OG1-NE2 3.02Å
312M87.7Confident82.8Confident98 Ų9865.5 Ų65.548%0.48333%0.334SS..EExtended strand (participates in β ladder)trans-98.8-42.8-180-67.6-63.2-55.200111.8T292 H294 Q310T292-M312 PolarHBondContact O-N 2.82Å; H294-M312 HydrophobicContact CB-CG 3.99Å; H294-M312 HydrophobicContact CB-SD 4.43Å; H294-M312 WeakPolarHBondContact CE1-CG 3.44Å; H294-M312 VanDerWaalsContact CE1-SD 3.55Å; H294-M312 WeakPolarHBondContact ND1-CG 3.36Å; H294-M312 PolarHBondContact ND1-SD 2.54Å; Q310-M312 PolarHBondContact O-N 3.36Å
313R89.7Confident83.5Confident144 Ų14463.9 Ų63.954%0.54331%0.314SS..EExtended strand (participates in β ladder)trans-151.2131.5-176.4-172.3173.3-179.6-172.3-4.5108.7A291 T292 E315A291-R313 WeakPolarHBondContact CA-O 3.4Å; T292-R313 PolarHBondContact N-O 2.94Å; T292-R313 PolarHBondContact O-N 2.89Å; R313-E315 HydrophobicContact CG-CG 3.95Å; R313-E315 VanDerWaalsContact CZ-CD 3.47Å; R313-E315 IonicContact CZ-OE1 3.91Å; R313-E315 IonicContact CZ-OE2 3Å; R313-E315 IonicContact NE-OE1 3.84Å; R313-E315 PolarHBondContact NE-OE1 2.86Å; R313-E315 IonicContact NE-OE2 2.67Å; R313-E315 PolarHBondContact NE-OE2 2.83Å; R313-E315 IonicContact NH2-OE1 3.37Å; R313-E315 PolarHBondContact NH2-OE1 3.07Å; R313-E315 IonicContact NH2-OE2 3.81Å; R313-E315 PolarHBondContact NH2-OE2 2.77Å
314M90.8Very high84.2Confident21 Ų2168.5 Ų68.510%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-138.1111.5170.7-170.8178.2-129.800108.4M268 L289 N290 A291 T311 K338 V341 H342M268-M314 HydrophobicContact CE-CE 4.43Å; L289-M314 HydrophobicContact CD1-CE 4.36Å; N290-M314 WeakPolarHBondContact O-CA 3.41Å; A291-M314 HydrophobicContact CB-CE 4.01Å; A291-M314 HydrophobicContact CB-CG 4.2Å; T311-M314 HydrophobicContact CG2-CB 4.33Å; M314-K338 HydrophobicContact CG-CG 4.23Å; M314-K338 WeakPolarHBondContact O-CE 3.35Å; M314-K338 PolarHBondContact O-NZ 3.2Å; M314-K338 HydrophobicContact SD-CB 3.79Å; M314-K338 HydrophobicContact SD-CG 4.03Å; M314-K338 VanDerWaalsContact SD-O 3.36Å; M314-V341 HydrophobicContact CE-CB 3.85Å; M314-V341 HydrophobicContact CE-CG1 3.59Å; M314-H342 HydrophobicContact CE-CB 4.5Å; M314-H342 HydrophobicContact SD-CB 4.26Å
315E93Very high85Confident81 Ų8167.6 Ų67.638%0.37934%0.343SS..EExtended strand (participates in β ladder)trans-110.1144.3-178.3-60.8-168.6147.500110L289 N290 R313L289-E315 WeakPolarHBondContact CA-O 3.2Å; L289-E315 WeakPolarHBondContact CD2-O 3.5Å; N290-E315 PolarHBondContact N-O 2.63Å; N290-E315 PolarHBondContact O-N 2.71Å; R313-E315 HydrophobicContact CG-CG 3.95Å; R313-E315 VanDerWaalsContact CZ-CD 3.47Å; R313-E315 IonicContact CZ-OE1 3.91Å; R313-E315 IonicContact CZ-OE2 3Å; R313-E315 IonicContact NE-OE1 3.84Å; R313-E315 PolarHBondContact NE-OE1 2.86Å; R313-E315 IonicContact NE-OE2 2.67Å; R313-E315 PolarHBondContact NE-OE2 2.83Å; R313-E315 IonicContact NH2-OE1 3.37Å; R313-E315 PolarHBondContact NH2-OE1 3.07Å; R313-E315 IonicContact NH2-OE2 3.81Å; R313-E315 PolarHBondContact NH2-OE2 2.77Å
316A92.4Very high85.7Confident31 Ų3170.6 Ų70.626%0.25636%0.363SS..EExtended strand (participates in β ladder)trans-130.1133.8-179.800000109.5T287 A288 L289 V334 K338T287-A316 HydrophobicContact CG2-CB 3.94Å; A288-A316 CarbonylContact O-C 3.56Å; A288-A316 VanDerWaalsContact O-CA 3.32Å; A288-A316 WeakPolarHBondContact O-CA 3.41Å; L289-A316 HydrophobicContact CD2-CB 3.43Å; L289-A316 VanDerWaalsContact CD2-CB 3.43Å; A316-V334 HydrophobicContact CB-CG1 3.29Å; A316-K338 HydrophobicContact CB-CD 3.86Å; A316-K338 HydrophobicContact CB-CG 4.11Å
317V93.6Very high86.2Confident88 Ų8872.5 Ų72.553%0.53338%0.377SS..EExtended strand (participates in β ladder)trans-125.8121.1173.6-179.10000107.6T287 A288 L319T287-V317 CarbonylContact C-O 3.59Å; T287-V317 WeakPolarHBondContact CA-O 3.33Å; T287-V317 WeakPolarHBondContact CG2-O 3.5Å; A288-V317 PolarHBondContact N-O 2.82Å; A288-V317 PolarHBondContact O-N 3.3Å; V317-L319 HydrophobicContact CG1-CD2 4.48Å; V317-L319 PolarHBondContact O-N 2.76Å
318V92.6Very high86.3Confident52 Ų5276.9 Ų76.932%0.31540%0.397SS..EExtended strand (participates in β ladder)trans-72118.3174.7176.70000108.3L285 N321 L330 V334L285-V318 HydrophobicContact CD1-CG1 3.7Å; L285-V318 HydrophobicContact CD1-CG2 4.43Å; V318-N321 HydrophobicContact CG1-CB 4.18Å; V318-L330 HydrophobicContact CG2-CD1 4.17Å; V318-L330 HydrophobicContact CG2-CD2 4.31Å; V318-L330 HydrophobicContact CG2-CG 4.33Å; V318-V334 HydrophobicContact CG2-CG2 3.56Å
319L93.1Very high86.1Confident82 Ų8275.3 Ų75.343%0.42939%0.388SS..EExtended strand (participates in β ladder)trans-90.1-41.5179.2-61.8-179000111.4L286 A288 V317L286-L319 HydrophobicContact CD2-CB 4.07Å; L286-L319 HydrophobicContact CD2-CD1 4.13Å; L286-L319 HydrophobicContact CG-CB 4.04Å; L286-L319 HydrophobicContact CG-CD1 4.09Å; L286-L319 PolarHBondContact O-N 3.08Å; A288-L319 HydrophobicContact CB-CD1 3.98Å; A288-L319 HydrophobicContact CB-CD2 4.12Å; A288-L319 HydrophobicContact CB-CG 4.02Å; V317-L319 HydrophobicContact CG1-CD2 4.48Å; V317-L319 PolarHBondContact O-N 2.76Å
320K92.6Very high86.1Confident115 Ų11576 Ų7650%0.539%0.39SS..EExtended strand (participates in β ladder)trans-144.2128.5176.2-58.8-174.3-179.2-1770109.6L286 Y322L286-K320 HydrophobicContact CB-CB 4.13Å; L286-K320 HydrophobicContact CD2-CD 4.31Å; L286-K320 HydrophobicContact CD2-CG 4.28Å; L286-K320 PolarHBondContact N-O 2.78Å; L286-K320 PolarHBondContact O-N 2.76Å; L286-K320 VanDerWaalsContact O-N 3.15Å; K320-Y322 HydrophobicContact CB-CD2 4.45Å; K320-Y322 HydrophobicContact CB-CE2 3.74Å; K320-Y322 HydrophobicContact CD-CE2 4.4Å; K320-Y322 VanDerWaalsContact CD-OH 3.25Å; K320-Y322 WeakPolarHBondContact CD-OH 3.4Å
321N87.5Confident86.1Confident63 Ų6377.2 Ų77.234%0.33739%0.393SS..EExtended strand (participates in β ladder)trans-109.8119.3171.6-173.415.7000109.3L285 V318 L323L285-N321 HydrophobicContact CD1-CB 4.18Å; V318-N321 HydrophobicContact CG1-CB 4.18Å; N321-L323 PolarHBondContact ND2-O 3.36Å; N321-L323 VanDerWaalsContact OD1-CB 3.28Å; N321-L323 WeakPolarHBondContact OD1-CB 2.94Å; N321-L323 PolarHBondContact OD1-N 2.81Å
322Y86Confident86Confident107 Ų10781.2 Ų81.242%0.4241%0.409SS..  trans-101.2-2.3175.4-60.1-85.7000111.9K283 I284 K320K283-Y322 HydrophobicContact CB-CD2 3.96Å; K283-Y322 HydrophobicContact CB-CE2 3.94Å; K283-Y322 HydrophobicContact CD-CE2 4.49Å; K283-Y322 VanDerWaalsContact O-CB 3.23Å; K283-Y322 WeakPolarHBondContact O-CB 3.19Å; I284-Y322 WeakPolarHBondContact O-CB 3.17Å; I284-Y322 PolarHBondContact O-N 2.96Å; K320-Y322 HydrophobicContact CB-CD2 4.45Å; K320-Y322 HydrophobicContact CB-CE2 3.74Å; K320-Y322 HydrophobicContact CD-CE2 4.4Å; K320-Y322 VanDerWaalsContact CD-OH 3.25Å; K320-Y322 WeakPolarHBondContact CD-OH 3.4Å
323L78.3Confident85.7Confident14 Ų1476.6 Ų76.67%0.07339%0.386CS..SBendtrans-86.3137.8174.9-71.2155.7000111L231 W234 I284 N321 T325 L333L231-L323 HydrophobicContact CD1-CD1 4.46Å; L231-L323 HydrophobicContact CD2-CD1 3.49Å; L231-L323 VanDerWaalsContact CD2-CD1 3.49Å; L231-L323 HydrophobicContact CD2-CD2 3.84Å; L231-L323 HydrophobicContact CD2-CG 4.32Å; W234-L323 HydrophobicContact CB-CD2 4.16Å; W234-L323 HydrophobicContact CD2-CD2 4.02Å; W234-L323 HydrophobicContact CE3-CD2 3.31Å; W234-L323 HydrophobicContact CE3-CG 4.49Å; W234-L323 HydrophobicContact CG-CD2 4.41Å; W234-L323 HydrophobicContact CZ3-CD2 3.96Å; I284-L323 HydrophobicContact CG2-CD1 3.32Å; I284-L323 HydrophobicContact CG2-CD2 3.89Å; I284-L323 HydrophobicContact CG2-CG 3.53Å; N321-L323 PolarHBondContact ND2-O 3.36Å; N321-L323 VanDerWaalsContact OD1-CB 3.28Å; N321-L323 WeakPolarHBondContact OD1-CB 2.94Å; N321-L323 PolarHBondContact OD1-N 2.81Å; L323-T325 VanDerWaalsContact C-N 3.34Å; L323-T325 HydrophobicContact CB-CG2 3.61Å; L323-T325 HydrophobicContact CD1-CG2 4.28Å; L323-T325 HydrophobicContact CD2-CG2 4.05Å; L323-T325 HydrophobicContact CG-CG2 4.22Å; L323-T325 PolarHBondContact O-N 2.95Å; L323-L333 HydrophobicContact CD1-CD2 3.82Å
324V75.3Confident85.5Confident156 Ų15670.6 Ų70.695%0.94537%0.366SS*.  trans-87.181.7161.6-174.10000107.2
325T76.7Confident85.2Confident29 Ų2971 Ų7118%0.17838%0.375CS..  trans-127.1163.7-178.757.20000110.9L323 E329L323-T325 VanDerWaalsContact C-N 3.34Å; L323-T325 HydrophobicContact CB-CG2 3.61Å; L323-T325 HydrophobicContact CD1-CG2 4.28Å; L323-T325 HydrophobicContact CD2-CG2 4.05Å; L323-T325 HydrophobicContact CG-CG2 4.22Å; L323-T325 PolarHBondContact O-N 2.95Å; T325-E329 WeakPolarHBondContact CB-OE2 3.14Å; T325-E329 HydrophobicContact CG2-CG 4.29Å; T325-E329 WeakPolarHBondContact CG2-OE2 3.2Å
326T82.4Confident84.4Confident87 Ų8767.8 Ų67.853%0.53436%0.361SS..  trans-69.9156.7171.865.30000111.2E328 E329 L330T326-E328 PolarHBondContact O-N 3.47Å; T326-E329 PolarHBondContact O-N 3.11Å; T326-E329 WeakPolarHBondContact OG1-CB 3.5Å; T326-E329 PolarHBondContact OG1-N 2.82Å; T326-L330 PolarHBondContact O-N 2.99Å
327D84.6Confident84Confident117 Ų11766.4 Ų66.463%0.62635%0.35SS*.Hα-helixtrans-58.1-31.1174.4-75.2-18.8000112.2L330 K331D327-L330 PolarHBondContact O-N 3.02Å; D327-K331 WeakPolarHBondContact O-CB 3.32Å; D327-K331 VanDerWaalsContact O-CG 3.29Å; D327-K331 WeakPolarHBondContact O-CG 3.39Å; D327-K331 PolarHBondContact O-N 3.41Å
328E83.1Confident83.6Confident116 Ų11665.5 Ų65.554%0.54234%0.338SS..Hα-helixtrans-76.4-41.5-176.6-99.936.2-152.900110.9T326 L330 K331 Q332T326-E328 PolarHBondContact O-N 3.47Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-K331 PolarHBondContact O-N 3.03Å; E328-K331 IonicContact OE1-NZ 2.69Å; E328-K331 PolarHBondContact OE1-NZ 3.34Å; E328-K331 IonicContact OE2-NZ 3.53Å; E328-K331 PolarHBondContact OE2-NZ 2.78Å; E328-Q332 WeakPolarHBondContact O-CB 3.4Å; E328-Q332 PolarHBondContact O-N 3.33Å
329E77.6Confident83Confident32 Ų3267 Ų6715%0.1534%0.342CS..Hα-helixtrans-63-40.1170.7-170.5175.8-17300110.8S233 T325 T326 Q332 L333S233-E329 WeakPolarHBondContact CB-OE1 3.42Å; S233-E329 PolarHBondContact OG-OE1 3.26Å; T325-E329 WeakPolarHBondContact CB-OE2 3.14Å; T325-E329 HydrophobicContact CG2-CG 4.29Å; T325-E329 WeakPolarHBondContact CG2-OE2 3.2Å; T326-E329 PolarHBondContact O-N 3.11Å; T326-E329 WeakPolarHBondContact OG1-CB 3.5Å; T326-E329 PolarHBondContact OG1-N 2.82Å; E329-Q332 PolarHBondContact O-N 2.96Å; E329-L333 WeakPolarHBondContact O-CB 3.05Å; E329-L333 PolarHBondContact O-N 2.77Å
330L83.8Confident82.2Confident26 Ų2663.1 Ų63.114%0.13632%0.322CS..Hα-helixtrans-64-45.4175.4-178.462.7000112.2L285 V318 T326 D327 E328 Q332 L333 V334L285-L330 HydrophobicContact CD1-CD1 3.67Å; L285-L330 HydrophobicContact CD2-CD1 4.32Å; V318-L330 HydrophobicContact CG2-CD1 4.17Å; V318-L330 HydrophobicContact CG2-CD2 4.31Å; V318-L330 HydrophobicContact CG2-CG 4.33Å; T326-L330 PolarHBondContact O-N 2.99Å; D327-L330 PolarHBondContact O-N 3.02Å; E328-L330 VanDerWaalsContact C-N 3.32Å; L330-Q332 VanDerWaalsContact C-N 3.32Å; L330-Q332 PolarHBondContact O-N 2.91Å; L330-L333 PolarHBondContact O-N 3.18Å; L330-V334 HydrophobicContact CD1-CG2 4.43Å; L330-V334 VanDerWaalsContact O-CG2 3.32Å; L330-V334 WeakPolarHBondContact O-CG2 3.45Å; L330-V334 PolarHBondContact O-N 3.03Å
331K84.8Confident81.6Confident125 Ų12557.7 Ų57.754%0.54330%0.298SS..Hα-helixtrans-59.8-43.4175.2-78.3168.2-171.5151.20111.3D327 E328 V334 G335D327-K331 WeakPolarHBondContact O-CB 3.32Å; D327-K331 VanDerWaalsContact O-CG 3.29Å; D327-K331 WeakPolarHBondContact O-CG 3.39Å; D327-K331 PolarHBondContact O-N 3.41Å; E328-K331 PolarHBondContact O-N 3.03Å; E328-K331 IonicContact OE1-NZ 2.69Å; E328-K331 PolarHBondContact OE1-NZ 3.34Å; E328-K331 IonicContact OE2-NZ 3.53Å; E328-K331 PolarHBondContact OE2-NZ 2.78Å; K331-V334 PolarHBondContact O-N 3.5Å; K331-G335 PolarHBondContact O-N 3.42Å
332Q80.9Confident81.3Confident121 Ų12156.6 Ų56.657%0.56529%0.291SS*.Hα-helixtrans-63.2-44177.7-162.7-175.4-12.500110.6V230 E328 E329 L330 V334 G335 T336V230-Q332 VanDerWaalsContact CG1-C 3.5Å; V230-Q332 HydrophobicContact CG1-CB 3.54Å; V230-Q332 HydrophobicContact CG1-CG 3.44Å; V230-Q332 VanDerWaalsContact CG1-CG 3.44Å; V230-Q332 HydrophobicContact CG2-CG 4.3Å; E328-Q332 WeakPolarHBondContact O-CB 3.4Å; E328-Q332 PolarHBondContact O-N 3.33Å; E329-Q332 PolarHBondContact O-N 2.96Å; L330-Q332 VanDerWaalsContact C-N 3.32Å; L330-Q332 PolarHBondContact O-N 2.91Å; Q332-V334 PolarHBondContact O-N 3.47Å; Q332-G335 WeakPolarHBondContact O-CA 3.38Å; Q332-G335 PolarHBondContact O-N 3.27Å; Q332-G335 VanDerWaalsContact O-N 3.14Å; Q332-T336 PolarHBondContact O-N 2.84Å; Q332-T336 PolarHBondContact O-OG1 2.81Å
333L81.1Confident80.8Confident1 Ų151.8 Ų51.81%0.00527%0.274CS..Hα-helixtrans-61.3-46.6178.517860.5000111.7L228 V230 L231 L272 L285 L323 E329 L330 G335 T336 I337L228-L333 HydrophobicContact CD2-CD1 4.26Å; V230-L333 HydrophobicContact CG1-CB 4.1Å; V230-L333 VanDerWaalsContact CG1-N 3.31Å; L231-L333 HydrophobicContact CD1-CD1 3.97Å; L231-L333 HydrophobicContact CD1-CD2 4.02Å; L231-L333 HydrophobicContact CD2-CD2 3.95Å; L231-L333 HydrophobicContact CG-CD1 4.01Å; L231-L333 HydrophobicContact CG-CD2 4.08Å; L272-L333 HydrophobicContact CD2-CD1 3.93Å; L272-L333 HydrophobicContact CD2-CD2 4.02Å; L272-L333 HydrophobicContact CD2-CG 4.4Å; L285-L333 HydrophobicContact CD2-CD2 3.82Å; L285-L333 HydrophobicContact CD2-CG 4.18Å; L323-L333 HydrophobicContact CD1-CD2 3.82Å; E329-L333 WeakPolarHBondContact O-CB 3.05Å; E329-L333 PolarHBondContact O-N 2.77Å; L330-L333 PolarHBondContact O-N 3.18Å; L333-G335 VanDerWaalsContact C-N 3.27Å; L333-G335 PolarHBondContact O-N 2.76Å; L333-T336 PolarHBondContact O-N 2.8Å; L333-I337 HydrophobicContact CD1-CD1 4.38Å; L333-I337 HydrophobicContact CG-CD1 4.17Å; L333-I337 WeakPolarHBondContact O-CG1 3.3Å; L333-I337 PolarHBondContact O-N 3.31Å
334V85.4Confident80.6Confident18 Ų1851.7 Ų51.711%0.10928%0.275CS..Hα-helixtrans-61.1-38.7175.21720000111L285 A316 V318 L330 K331 Q332 I337 K338L285-V334 HydrophobicContact CD2-CG2 4.28Å; A316-V334 HydrophobicContact CB-CG1 3.29Å; V318-V334 HydrophobicContact CG2-CG2 3.56Å; L330-V334 HydrophobicContact CD1-CG2 4.43Å; L330-V334 VanDerWaalsContact O-CG2 3.32Å; L330-V334 WeakPolarHBondContact O-CG2 3.45Å; L330-V334 PolarHBondContact O-N 3.03Å; K331-V334 PolarHBondContact O-N 3.5Å; Q332-V334 PolarHBondContact O-N 3.47Å; V334-I337 PolarHBondContact O-N 3.09Å; V334-K338 HydrophobicContact CG1-CD 4.42Å; V334-K338 WeakPolarHBondContact O-CG 3.43Å; V334-K338 PolarHBondContact O-N 3.41Å
335G84Confident80.7Confident29 Ų2944.9 Ų44.930%0.29923%0.232SC..Hα-helixtrans-58.5-47.7173.100000112.8K331 Q332 L333 K338 Q339K331-G335 PolarHBondContact O-N 3.42Å; Q332-G335 WeakPolarHBondContact O-CA 3.38Å; Q332-G335 PolarHBondContact O-N 3.27Å; Q332-G335 VanDerWaalsContact O-N 3.14Å; L333-G335 VanDerWaalsContact C-N 3.27Å; L333-G335 PolarHBondContact O-N 2.76Å; G335-K338 WeakPolarHBondContact O-CB 3.39Å; G335-K338 PolarHBondContact O-N 2.85Å; G335-Q339 WeakPolarHBondContact O-CG 3.47Å; G335-Q339 PolarHBondContact O-N 2.62Å
336T77.9Confident80.6Confident15 Ų1545 Ų459%0.09223%0.231CC..Hα-helixtrans-63.3-43176.3-64.40000112.2C227 L228 V230 Q332 L333 K338 Q339 A340C227-T336 WeakPolarHBondContact O-CG2 3.12Å; L228-T336 HydrophobicContact CD2-CG2 4.25Å; V230-T336 HydrophobicContact CG2-CG2 4.42Å; V230-T336 VanDerWaalsContact CG2-OG1 3.25Å; V230-T336 WeakPolarHBondContact CG2-OG1 3.46Å; Q332-T336 PolarHBondContact O-N 2.84Å; Q332-T336 PolarHBondContact O-OG1 2.81Å; L333-T336 PolarHBondContact O-N 2.8Å; T336-K338 VanDerWaalsContact C-N 3.33Å; T336-K338 PolarHBondContact O-N 3.26Å; T336-Q339 PolarHBondContact O-N 2.82Å; T336-A340 WeakPolarHBondContact O-CB 3.32Å; T336-A340 PolarHBondContact O-N 2.98Å
337I82.5Confident79.9Confident2 Ų242.7 Ų42.71%0.0122%0.217CC..Hα-helixtrans-58.9-47.1175.8-71.5170.9000110.1L245 V270 L285 L289 L333 V334 Q339 A340 V341L245-I337 HydrophobicContact CD1-CD1 4.24Å; L245-I337 HydrophobicContact CD1-CG1 3.92Å; L245-I337 HydrophobicContact CD1-CG2 4.33Å; V270-I337 HydrophobicContact CB-CG2 4.22Å; V270-I337 HydrophobicContact CG1-CG2 3.71Å; V270-I337 HydrophobicContact CG2-CG2 4.33Å; L285-I337 HydrophobicContact CD2-CD1 3.7Å; L289-I337 HydrophobicContact CD1-CG2 4.26Å; L333-I337 HydrophobicContact CD1-CD1 4.38Å; L333-I337 HydrophobicContact CG-CD1 4.17Å; L333-I337 WeakPolarHBondContact O-CG1 3.3Å; L333-I337 PolarHBondContact O-N 3.31Å; V334-I337 PolarHBondContact O-N 3.09Å; I337-Q339 VanDerWaalsContact C-N 3.34Å; I337-Q339 PolarHBondContact O-N 3.29Å; I337-A340 PolarHBondContact O-N 3.38Å; I337-V341 HydrophobicContact CG2-CG2 4.34Å; I337-V341 WeakPolarHBondContact O-CG2 3.34Å; I337-V341 PolarHBondContact O-N 2.91Å
338K85Confident79.1Confident68 Ų6838.5 Ų38.530%0.29619%0.194SC..Hα-helixtrans-56.2-47.6175.7-76.8174.154.9169.60111.5L289 M314 A316 V334 G335 T336 A340 H342L289-K338 HydrophobicContact CD2-CG 3.82Å; M314-K338 HydrophobicContact CG-CG 4.23Å; M314-K338 WeakPolarHBondContact O-CE 3.35Å; M314-K338 PolarHBondContact O-NZ 3.2Å; M314-K338 HydrophobicContact SD-CB 3.79Å; M314-K338 HydrophobicContact SD-CG 4.03Å; M314-K338 VanDerWaalsContact SD-O 3.36Å; A316-K338 HydrophobicContact CB-CD 3.86Å; A316-K338 HydrophobicContact CB-CG 4.11Å; V334-K338 HydrophobicContact CG1-CD 4.42Å; V334-K338 WeakPolarHBondContact O-CG 3.43Å; V334-K338 PolarHBondContact O-N 3.41Å; G335-K338 WeakPolarHBondContact O-CB 3.39Å; G335-K338 PolarHBondContact O-N 2.85Å; T336-K338 VanDerWaalsContact C-N 3.33Å; T336-K338 PolarHBondContact O-N 3.26Å; K338-A340 PolarHBondContact O-N 3.42Å; K338-H342 WeakPolarHBondContact O-CB 3.43Å; K338-H342 PolarHBondContact O-N 3.15Å
339Q79.9Confident78.6Confident83 Ų8334.1 Ų34.139%0.38817%0.174SC..Hα-helixtrans-61.8-41.3178.4-71.6-179.6-3.400112.6Q220 G335 T336 I337 H342 A343Q220-Q339 VanDerWaalsContact OE1-NE2 3.11Å; G335-Q339 WeakPolarHBondContact O-CG 3.47Å; G335-Q339 PolarHBondContact O-N 2.62Å; T336-Q339 PolarHBondContact O-N 2.82Å; I337-Q339 VanDerWaalsContact C-N 3.34Å; I337-Q339 PolarHBondContact O-N 3.29Å; Q339-H342 WeakPolarHBondContact O-CB 3.42Å; Q339-H342 PolarHBondContact O-N 2.85Å; Q339-A343 WeakPolarHBondContact O-CB 3.35Å; Q339-A343 PolarHBondContact O-N 3.35Å
340A76.5Confident78.1Confident1 Ų136.1 Ų36.11%0.00818%0.184CC..Hα-helixtrans-67.4-45.4179.200000112.9F211 F218 L245 T336 I337 K338 H342 A343 A344F211-A340 HydrophobicContact CE1-CB 4.13Å; F211-A340 HydrophobicContact CZ-CB 3.62Å; F218-A340 HydrophobicContact CE1-CB 3.9Å; F218-A340 HydrophobicContact CZ-CB 4.39Å; L245-A340 HydrophobicContact CD2-CB 4.36Å; T336-A340 WeakPolarHBondContact O-CB 3.32Å; T336-A340 PolarHBondContact O-N 2.98Å; I337-A340 PolarHBondContact O-N 3.38Å; K338-A340 PolarHBondContact O-N 3.42Å; A340-H342 VanDerWaalsContact C-N 3.32Å; A340-A343 PolarHBondContact O-N 3.16Å; A340-A344 WeakPolarHBondContact O-CB 3.05Å; A340-A344 PolarHBondContact O-N 2.83Å
341V80.3Confident77.2Confident1 Ų136.4 Ų36.41%0.00619%0.185CC..Hα-helixtrans-62.2-45.2174.1178.30000109.6L245 V247 M268 V270 L289 M314 I337 A343 A344 F345L245-V341 HydrophobicContact CD2-CG2 4.48Å; V247-V341 HydrophobicContact CG2-CG2 3.74Å; M268-V341 HydrophobicContact CE-CG1 3.95Å; M268-V341 HydrophobicContact SD-CG1 4.13Å; V270-V341 HydrophobicContact CG2-CG2 4.21Å; L289-V341 HydrophobicContact CD1-CB 4.08Å; L289-V341 HydrophobicContact CD1-CG1 4.13Å; L289-V341 HydrophobicContact CD1-CG2 3.75Å; M314-V341 HydrophobicContact CE-CB 3.85Å; M314-V341 HydrophobicContact CE-CG1 3.59Å; I337-V341 HydrophobicContact CG2-CG2 4.34Å; I337-V341 WeakPolarHBondContact O-CG2 3.34Å; I337-V341 PolarHBondContact O-N 2.91Å; V341-A343 PolarHBondContact O-N 2.86Å; V341-A344 PolarHBondContact O-N 2.83Å; V341-F345 HydrophobicContact CG1-CD2 3.76Å; V341-F345 HydrophobicContact CG1-CE2 3.77Å; V341-F345 WeakPolarHBondContact O-CD2 3.29Å; V341-F345 PolarHBondContact O-N 3.28Å
342H82.1Confident76Confident41 Ų4134.3 Ų34.319%0.1919%0.186CC..Hα-helixtrans-55.9-51.5177178.2-94.1000112.7T311 M314 K338 Q339 A340 A344 F345 Q346T311-H342 VanDerWaalsContact CB-CD2 3.5Å; T311-H342 WeakPolarHBondContact CB-CD2 3.49Å; T311-H342 WeakPolarHBondContact CB-NE2 3.4Å; T311-H342 PolarHBondContact OG1-CD2 3.44Å; T311-H342 PolarHBondContact OG1-NE2 3.02Å; M314-H342 HydrophobicContact CE-CB 4.5Å; M314-H342 HydrophobicContact SD-CB 4.26Å; K338-H342 WeakPolarHBondContact O-CB 3.43Å; K338-H342 PolarHBondContact O-N 3.15Å; Q339-H342 WeakPolarHBondContact O-CB 3.42Å; Q339-H342 PolarHBondContact O-N 2.85Å; A340-H342 VanDerWaalsContact C-N 3.32Å; H342-A344 VanDerWaalsContact C-N 3.33Å; H342-A344 PolarHBondContact O-N 2.89Å; H342-F345 PolarHBondContact O-N 3.49Å; H342-Q346 PolarHBondContact CE1-OE1 3.28Å; H342-Q346 WeakPolarHBondContact O-CB 3.45Å; H342-Q346 PolarHBondContact O-N 2.98Å
343A75.3Confident75.2Confident6 Ų630.9 Ų30.95%0.0517%0.169CC..Hα-helixtrans-60.9-42.1179.400000111.7F218 Q339 A340 V341 F345 Q346 V347F218-A343 HydrophobicContact CD1-CB 4.35Å; F218-A343 HydrophobicContact CE1-CB 4.34Å; Q339-A343 WeakPolarHBondContact O-CB 3.35Å; Q339-A343 PolarHBondContact O-N 3.35Å; A340-A343 PolarHBondContact O-N 3.16Å; V341-A343 PolarHBondContact O-N 2.86Å; A343-F345 PolarHBondContact O-N 3.16Å; A343-Q346 PolarHBondContact O-N 2.73Å; A343-V347 WeakPolarHBondContact O-CG2 3.46Å; A343-V347 PolarHBondContact O-N 2.84Å; A343-V347 VanDerWaalsContact O-N 3.16Å
344A74.1Confident74.2Confident12 Ų1238.5 Ų38.510%0.09920%0.202CC..Hα-helixtrans-59.7-47.7176.500000111.5I204 I206 A340 V341 H342 L348I204-A344 HydrophobicContact CD1-CB 4.47Å; I206-A344 HydrophobicContact CD1-CB 4.47Å; A340-A344 WeakPolarHBondContact O-CB 3.05Å; A340-A344 PolarHBondContact O-N 2.83Å; V341-A344 PolarHBondContact O-N 2.83Å; H342-A344 VanDerWaalsContact C-N 3.33Å; H342-A344 PolarHBondContact O-N 2.89Å; A344-L348 WeakPolarHBondContact O-CG 3.44Å; A344-L348 PolarHBondContact O-N 2.8Å
345F77.1Confident72.9Confident12 Ų1240.1 Ų40.15%0.05321%0.21CC..Hα-helixtrans-68.4-37.6177.3-87.2-93.2000113.1I204 H249 M268 F293 V341 H342 A343 V347 L348 L349I204-F345 HydrophobicContact CD1-CE2 4.14Å; H249-F345 AromaticContact CE1-CZ 3.49Å; H249-F345 VanDerWaalsContact CE1-CZ 3.49Å; H249-F345 WeakPolarHBondContact CE1-CZ 3.43Å; H249-F345 AromaticContact NE2-CE1 4Å; H249-F345 AromaticContact NE2-CZ 3.52Å; M268-F345 HydrophobicContact CE-CE2 4.3Å; M268-F345 HydrophobicContact SD-CE2 3.47Å; M268-F345 WeakPolarHBondContact SD-CE2 3.13Å; M268-F345 HydrophobicContact SD-CZ 3.52Å; M268-F345 VanDerWaalsContact SD-CZ 3.52Å; F293-F345 HydrophobicContact CE1-CB 4.14Å; F293-F345 HydrophobicContact CE2-CB 4.37Å; F293-F345 HydrophobicContact CE2-CD1 4.35Å; F293-F345 HydrophobicContact CE2-CG 4.37Å; F293-F345 HydrophobicContact CZ-CB 3.72Å; F293-F345 HydrophobicContact CZ-CD1 4.5Å; F293-F345 HydrophobicContact CZ-CG 4.1Å; V341-F345 HydrophobicContact CG1-CD2 3.76Å; V341-F345 HydrophobicContact CG1-CE2 3.77Å; V341-F345 WeakPolarHBondContact O-CD2 3.29Å; V341-F345 PolarHBondContact O-N 3.28Å; H342-F345 PolarHBondContact O-N 3.49Å; A343-F345 PolarHBondContact O-N 3.16Å; F345-V347 VanDerWaalsContact C-N 3.3Å; F345-V347 PolarHBondContact O-N 3.37Å; F345-L348 CarbonylContact O-C 3.58Å; F345-L348 WeakPolarHBondContact O-CA 3.44Å; F345-L348 WeakPolarHBondContact O-CB 3.14Å; F345-L348 PolarHBondContact O-N 2.69Å; F345-L349 HydrophobicContact CB-CD1 4.31Å; F345-L349 WeakPolarHBondContact O-CB 3.46Å; F345-L349 VanDerWaalsContact O-CG 3.23Å; F345-L349 WeakPolarHBondContact O-CG 3.45Å; F345-L349 PolarHBondContact O-N 2.8Å
346Q74Confident71.4Confident31 Ų3143.4 Ų43.415%0.14523%0.226CC..Hα-helixtrans-61.6-40.9-179.8-169.8166.6-500111.2H342 A343 L348 L349 E350H342-Q346 PolarHBondContact CE1-OE1 3.28Å; H342-Q346 WeakPolarHBondContact O-CB 3.45Å; H342-Q346 PolarHBondContact O-N 2.98Å; A343-Q346 PolarHBondContact O-N 2.73Å; Q346-L348 PolarHBondContact O-N 3.12Å; Q346-L349 PolarHBondContact O-N 3.15Å; Q346-E350 HydrophobicContact CG-CG 4.08Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.39Å; Q346-E350 PolarHBondContact NE2-OE1 3.44Å; Q346-E350 VanDerWaalsContact O-CB 3.3Å; Q346-E350 WeakPolarHBondContact O-CB 3.28Å; Q346-E350 WeakPolarHBondContact O-CG 3.38Å; Q346-E350 PolarHBondContact O-N 2.61Å
347V68.9Low70.6Confident40 Ų4044.2 Ų44.224%0.24224%0.235CC..Hα-helixtrans-61.1-32.4173173.40000112.4N217 A343 F345N217-V347 HydrophobicContact CB-CG2 4.48Å; A343-V347 WeakPolarHBondContact O-CG2 3.46Å; A343-V347 PolarHBondContact O-N 2.84Å; A343-V347 VanDerWaalsContact O-N 3.16Å; F345-V347 VanDerWaalsContact C-N 3.3Å; F345-V347 PolarHBondContact O-N 3.37Å
348L67.2Low69.9Low28 Ų2848.5 Ų48.515%0.14727%0.265CS..Hα-helixtrans-79.1-29.8177.8-62.6178.6000113.3I112 I204 A344 F345 Q346 M351I112-L348 HydrophobicContact CB-CD2 4.28Å; I112-L348 HydrophobicContact CD1-CD1 4.42Å; I112-L348 HydrophobicContact CD1-CD2 4.04Å; I112-L348 HydrophobicContact CG1-CD1 3.82Å; I112-L348 HydrophobicContact CG1-CD2 3.15Å; I112-L348 HydrophobicContact CG1-CG 4.09Å; I204-L348 HydrophobicContact CD1-CD1 4.49Å; A344-L348 WeakPolarHBondContact O-CG 3.44Å; A344-L348 PolarHBondContact O-N 2.8Å; F345-L348 CarbonylContact O-C 3.58Å; F345-L348 WeakPolarHBondContact O-CA 3.44Å; F345-L348 WeakPolarHBondContact O-CB 3.14Å; F345-L348 PolarHBondContact O-N 2.69Å; Q346-L348 PolarHBondContact O-N 3.12Å; L348-M351 WeakPolarHBondContact O-CE 3.38Å; L348-M351 VanDerWaalsContact O-CG 3.28Å; L348-M351 WeakPolarHBondContact O-CG 3.32Å
349L72.4Confident69.4Low25 Ų2546 Ų4613%0.13126%0.256CS..Hα-helixtrans-94.3-26.7-175.5-62170.1000111.6L264 F293 L295 A309 F345 Q346 M351L264-L349 HydrophobicContact CD2-CD1 4.14Å; L264-L349 HydrophobicContact CD2-CD2 3.72Å; F293-L349 HydrophobicContact CB-CD1 4.13Å; F293-L349 HydrophobicContact CD1-CD1 3.81Å; F293-L349 HydrophobicContact CD2-CD1 4.18Å; F293-L349 HydrophobicContact CE1-CD1 4.22Å; F293-L349 HydrophobicContact CG-CD1 3.79Å; L295-L349 HydrophobicContact CD1-CD2 4.39Å; L295-L349 HydrophobicContact CD2-CB 3.86Å; L295-L349 HydrophobicContact CD2-CD1 4.06Å; L295-L349 HydrophobicContact CD2-CD2 4.03Å; L295-L349 HydrophobicContact CD2-CG 4.19Å; A309-L349 HydrophobicContact CB-CB 3.41Å; A309-L349 VanDerWaalsContact CB-CB 3.41Å; A309-L349 HydrophobicContact CB-CD1 4Å; A309-L349 HydrophobicContact CB-CG 4.36Å; F345-L349 HydrophobicContact CB-CD1 4.31Å; F345-L349 WeakPolarHBondContact O-CB 3.46Å; F345-L349 VanDerWaalsContact O-CG 3.23Å; F345-L349 WeakPolarHBondContact O-CG 3.45Å; F345-L349 PolarHBondContact O-N 2.8Å; Q346-L349 PolarHBondContact O-N 3.15Å; L349-M351 VanDerWaalsContact C-N 3.33Å; L349-M351 PolarHBondContact O-N 3.4Å; L349-M351 VanDerWaalsContact O-N 3.07Å
350E67.9Low69.3Low73 Ų7342.8 Ų42.834%0.34124%0.243SC..SBendtrans-81.177.5170.5-69.6-170.5-169.500111.2L307 Q346L307-E350 WeakPolarHBondContact O-CA 3.46Å; Q346-E350 HydrophobicContact CG-CG 4.08Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.39Å; Q346-E350 PolarHBondContact NE2-OE1 3.44Å; Q346-E350 VanDerWaalsContact O-CB 3.3Å; Q346-E350 WeakPolarHBondContact O-CB 3.28Å; Q346-E350 WeakPolarHBondContact O-CG 3.38Å; Q346-E350 PolarHBondContact O-N 2.61Å
351M63.9Low69.4Low32 Ų3245.2 Ų45.216%0.15826%0.258CS..  trans-122.4149.1-179.5-65-166.7-5800112.4I108 K306 L307 L348 L349 F353I108-M351 HydrophobicContact CB-SD 4.2Å; I108-M351 HydrophobicContact CD1-CE 3.31Å; I108-M351 HydrophobicContact CD1-SD 3.68Å; I108-M351 HydrophobicContact CG1-CE 3.82Å; I108-M351 HydrophobicContact CG1-SD 3.46Å; I108-M351 WeakPolarHBondContact CG1-SD 3.36Å; I108-M351 HydrophobicContact CG2-CE 4.11Å; I108-M351 HydrophobicContact CG2-SD 4.02Å; K306-M351 WeakPolarHBondContact CA-O 3.28Å; L307-M351 PolarHBondContact N-O 3.35Å; L307-M351 VanDerWaalsContact N-O 3.08Å; L348-M351 WeakPolarHBondContact O-CE 3.38Å; L348-M351 VanDerWaalsContact O-CG 3.28Å; L348-M351 WeakPolarHBondContact O-CG 3.32Å; L349-M351 VanDerWaalsContact C-N 3.33Å; L349-M351 PolarHBondContact O-N 3.4Å; L349-M351 VanDerWaalsContact O-N 3.07Å; M351-F353 HydrophobicContact CB-CE2 4.15Å; M351-F353 HydrophobicContact CB-CZ 4.34Å; M351-F353 WeakPolarHBondContact O-CE2 3.38Å
352S59.7Low69.3Low81 Ų8145.9 Ų45.957%0.56626%0.261SS*.EExtended strand (participates in β ladder)trans-110.3134.5173.164.90000110.3F305F305-S352 CarbonylContact O-C 3.57Å; F305-S352 WeakPolarHBondContact O-CA 3.49Å
353F64Low69.4Low49 Ų4948 Ų4822%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-115.3122.1-172-54-111.7000107.9F104 V304 F305 L307 M351F104-F353 HydrophobicContact CD2-CD1 4.15Å; F104-F353 HydrophobicContact CE1-CE1 4.45Å; F104-F353 AromaticContact CE2-CD1 3.15Å; F104-F353 HydrophobicContact CE2-CD1 3.15Å; F104-F353 AromaticContact CE2-CE1 3.41Å; F104-F353 HydrophobicContact CE2-CE1 3.41Å; F104-F353 VanDerWaalsContact CE2-CE1 3.41Å; F104-F353 HydrophobicContact CE2-CG 4.06Å; F104-F353 HydrophobicContact CE2-CZ 4.43Å; F104-F353 AromaticContact CZ-CD1 3.41Å; F104-F353 HydrophobicContact CZ-CD1 3.41Å; F104-F353 VanDerWaalsContact CZ-CD1 3.41Å; F104-F353 AromaticContact CZ-CE1 3.26Å; F104-F353 HydrophobicContact CZ-CE1 3.26Å; F104-F353 HydrophobicContact CZ-CZ 4.39Å; V304-F353 CarbonylContact C-O 3.48Å; V304-F353 VanDerWaalsContact CA-O 3.25Å; V304-F353 WeakPolarHBondContact CA-O 3.39Å; F305-F353 HydrophobicContact CB-CB 4.24Å; F305-F353 HydrophobicContact CD1-CB 4.37Å; F305-F353 AromaticContact CD1-CD2 3.46Å; F305-F353 HydrophobicContact CD1-CD2 3.46Å; F305-F353 VanDerWaalsContact CD1-CD2 3.46Å; F305-F353 AromaticContact CD1-CE2 3.88Å; F305-F353 HydrophobicContact CD1-CE2 3.88Å; F305-F353 HydrophobicContact CD1-CG 4.02Å; F305-F353 HydrophobicContact CE1-CD2 4.19Å; F305-F353 HydrophobicContact CE1-CE2 4.15Å; F305-F353 HydrophobicContact CG-CD2 4.42Å; F305-F353 PolarHBondContact N-O 3.28Å; F305-F353 WeakPolarHBondContact O-CD2 3.23Å; F305-F353 PolarHBondContact O-N 2.86Å; L307-F353 HydrophobicContact CD1-CE2 3.81Å; L307-F353 HydrophobicContact CD1-CZ 3.89Å; L307-F353 HydrophobicContact CG-CE2 3.98Å; M351-F353 HydrophobicContact CB-CE2 4.15Å; M351-F353 HydrophobicContact CB-CZ 4.34Å; M351-F353 WeakPolarHBondContact O-CE2 3.38Å
354K60.4Low69.9Low162 Ų16252.5 Ų52.570%0.70429%0.294SS*.EExtended strand (participates in β ladder)trans-98.9115.4173.6-171.9175.2-177.7174.30109.4R303R303-K354 HydrophobicContact CB-CG 4.32Å; R303-K354 WeakPolarHBondContact O-CA 2.97Å
355L58.1Low70.4Confident51 Ų5153.7 Ų53.727%0.26730%0.299SS..  trans-71.7126.1177.8-71.7168.1000110.4R303 M362R303-L355 PolarHBondContact O-N 2.83Å; R303-L355 VanDerWaalsContact O-N 3.16Å; L355-M362 HydrophobicContact CB-CE 3.14Å; L355-M362 HydrophobicContact CB-SD 3.57Å; L355-M362 VanDerWaalsContact CB-SD 3.57Å; L355-M362 HydrophobicContact CD1-CE 4.15Å; L355-M362 HydrophobicContact CD1-SD 3.54Å; L355-M362 VanDerWaalsContact CD1-SD 3.54Å; L355-M362 HydrophobicContact CG-CE 4.28Å; L355-M362 HydrophobicContact CG-SD 4.19Å; L355-M362 WeakPolarHBondContact O-CE 3.14Å
356P53.3Low70.9Confident98 Ų9857.2 Ų57.264%0.63632%0.315SS*.  trans-77.2133.1-176.930-33000111.2
357A60.3Low71.5Confident33 Ų3356.8 Ų56.827%0.27332%0.317SS..  trans-158116.8168.200000110.1R303 A360R303-A357 PolarHBondContact NH1-O 2.8Å; A357-A360 HydrophobicContact CB-CB 4Å; A357-A360 WeakPolarHBondContact CB-O 3.44Å
358S66.6Low72.5Confident92 Ų9257.2 Ų57.264%0.64332%0.316SS*.SBendtrans-81.7-26.3-173.872.30000113.7C386S358-C386 PolarHBondContact O-SG 3.46Å
359C76.5Confident73.6Confident16 Ų1656.4 Ų56.411%0.10831%0.311CS..SBendtrans-12711178.3-66.80000112.7N383 C386C359-N383 PolarHBondContact O-N 2.99Å; C359-C386 WeakPolarHBondContact CA-SG 3.47Å; C359-C386 HydrophobicContact CB-CB 3.59Å; C359-C386 WeakPolarHBondContact CB-SG 3.48Å; C359-C386 WeakPolarHBondContact SG-CB 3.36Å; C359-C386 CovalentContact SG-SG 2.04Å; C359-C386 PolarHBondContact SG-SG 2.91Å
360A76.8Confident74.4Confident14 Ų1457.1 Ų57.112%0.11631%0.314CS..EExtended strand (participates in β ladder)trans-134.4147.2178.800000110.6R303 A357 L380 I381 L382R303-A360 PolarHBondContact NH1-O 3.39Å; R303-A360 PolarHBondContact NH2-O 3.15Å; A357-A360 HydrophobicContact CB-CB 4Å; A357-A360 WeakPolarHBondContact CB-O 3.44Å; A360-L380 HydrophobicContact CB-CD2 3.59Å; A360-I381 CarbonylContact C-O 3.39Å; A360-I381 WeakPolarHBondContact CA-O 3.11Å; A360-L382 HydrophobicContact CB-CD2 3.86Å
361T78Confident75.5Confident53 Ų5360 Ų6033%0.32533%0.328SS..EExtended strand (participates in β ladder)trans-102.2145.1161.5360000108.4I381T361-I381 PolarHBondContact N-O 3.45Å; T361-I381 PolarHBondContact O-N 3.47Å; T361-I381 WeakPolarHBondContact OG1-CB 3.4Å; T361-I381 PolarHBondContact OG1-O 3.46Å
362M78.8Confident76.8Confident14 Ų1459.3 Ų59.37%0.06933%0.328CS..EExtended strand (participates in β ladder)trans-101.4133.1167.8-70.9158.5-67.200107.6R303 L355 F378 D379 L380R303-M362 HydrophobicContact CB-CE 4.08Å; R303-M362 HydrophobicContact CG-CE 3.88Å; L355-M362 HydrophobicContact CB-CE 3.14Å; L355-M362 HydrophobicContact CB-SD 3.57Å; L355-M362 VanDerWaalsContact CB-SD 3.57Å; L355-M362 HydrophobicContact CD1-CE 4.15Å; L355-M362 HydrophobicContact CD1-SD 3.54Å; L355-M362 VanDerWaalsContact CD1-SD 3.54Å; L355-M362 HydrophobicContact CG-CE 4.28Å; L355-M362 HydrophobicContact CG-SD 4.19Å; L355-M362 WeakPolarHBondContact O-CE 3.14Å; M362-F378 HydrophobicContact CB-CD2 4.22Å; M362-F378 HydrophobicContact CG-CD2 3.62Å; M362-F378 HydrophobicContact CG-CE2 3.82Å; M362-F378 HydrophobicContact CG-CG 4.32Å; M362-F378 HydrophobicContact SD-CD2 4.22Å; M362-F378 HydrophobicContact SD-CE2 4.01Å; M362-F378 HydrophobicContact SD-CZ 4.31Å; M362-D379 WeakPolarHBondContact CA-O 3.25Å; M362-L380 HydrophobicContact CG-CD2 4.06Å
363E84Confident78.2Confident87 Ų8756 Ų5641%0.40731%0.305SS..EExtended strand (participates in β ladder)trans-128.5162.4177-64.5-167.2178.900110L365 D379 I381E363-L365 PolarHBondContact O-N 3.15Å; E363-D379 PolarHBondContact N-O 3.4Å; E363-D379 PolarHBondContact O-N 3.41Å; E363-I381 HydrophobicContact CG-CD1 4.04Å; E363-I381 HydrophobicContact CG-CG1 4.42Å; E363-I381 WeakPolarHBondContact OE1-CD1 3.13Å; E363-I381 WeakPolarHBondContact OE2-CD1 2.97Å
364N85.4Confident79.4Confident99 Ų9954.2 Ų54.253%0.52930%0.298SS..EExtended strand (participates in β ladder)trans50.842.2178.5-52.4-39.2000113.6H366 D379N364-H366 PolarHBondContact O-N 3.21Å; N364-H366 VanDerWaalsContact O-N 3.13Å; N364-D379 WeakPolarHBondContact CB-OD2 3.42Å; N364-D379 PolarHBondContact ND2-OD2 3.22Å
365L85Confident80.8Confident38 Ų3846.6 Ų46.620%0.19927%0.265CS..EExtended strand (participates in β ladder)trans-63.3113.9178177.965.2000110E363 A377 F378E363-L365 PolarHBondContact O-N 3.15Å; L365-A377 CarbonylContact C-O 3.55Å; L365-A377 WeakPolarHBondContact CA-O 3.39Å; L365-F378 HydrophobicContact CB-CB 4.48Å; L365-F378 HydrophobicContact CD1-CB 4.06Å; L365-F378 HydrophobicContact CD1-CD1 3.85Å; L365-F378 HydrophobicContact CD1-CG 4.35Å
366H87.3Confident82.3Confident85 Ų8545.1 Ų45.139%0.39426%0.258SS..EExtended strand (participates in β ladder)trans-101.6135.1165.8-174.364.4000109N364 E368 F375 L376 A377N364-H366 PolarHBondContact O-N 3.21Å; N364-H366 VanDerWaalsContact O-N 3.13Å; H366-E368 IonicContact CE1-OE2 3.69Å; H366-E368 VanDerWaalsContact NE2-CD 3.27Å; H366-E368 IonicContact NE2-OE1 2.8Å; H366-E368 IonicContact NE2-OE2 3.6Å; H366-E368 PolarHBondContact NE2-OE2 3.16Å; H366-F375 AromaticContact CD2-CE1 3.97Å; H366-L376 CarbonylContact O-C 3.25Å; H366-L376 WeakPolarHBondContact O-CA 3.09Å; H366-A377 HydrophobicContact CB-CB 4.48Å; H366-A377 PolarHBondContact N-O 3.46Å; H366-A377 PolarHBondContact O-N 3.15Å
367A87.8Confident84Confident22 Ų2240.4 Ų40.418%0.18223%0.227CC..EExtended strand (participates in β ladder)trans-144128.2-17900000110.7I297 F305 F375 L376I297-A367 HydrophobicContact CD1-CB 4.07Å; I297-A367 HydrophobicContact CG2-CB 3.95Å; F305-A367 HydrophobicContact CD2-CB 3.85Å; F305-A367 HydrophobicContact CE2-CB 3.7Å; A367-F375 VanDerWaalsContact CA-O 3.31Å; A367-F375 WeakPolarHBondContact CA-O 3.49Å; A367-L376 HydrophobicContact CB-CD2 3.46Å; A367-L376 VanDerWaalsContact CB-CD2 3.46Å
368E89Confident85.4Confident49 Ų4939.6 Ų39.623%0.22922%0.218CC..EExtended strand (participates in β ladder)trans-151.2152.3-176.852.7176.9-155.400111.4K174 H366 H370 F375K174-E368 WeakPolarHBondContact CD-OE1 3.37Å; K174-E368 WeakPolarHBondContact CE-OE1 3.48Å; K174-E368 IonicContact NZ-OE1 3.05Å; K174-E368 PolarHBondContact NZ-OE1 2.85Å; K174-E368 IonicContact NZ-OE2 2.85Å; H366-E368 IonicContact CE1-OE2 3.69Å; H366-E368 VanDerWaalsContact NE2-CD 3.27Å; H366-E368 IonicContact NE2-OE1 2.8Å; H366-E368 IonicContact NE2-OE2 3.6Å; H366-E368 PolarHBondContact NE2-OE2 3.16Å; E368-H370 VanDerWaalsContact CD-CE1 3.47Å; E368-H370 VanDerWaalsContact CD-NE2 3.27Å; E368-H370 WeakPolarHBondContact CG-NE2 3.46Å; E368-H370 IonicContact OE1-CD2 2.83Å; E368-H370 IonicContact OE1-CE1 3.76Å; E368-H370 PolarHBondContact OE1-CE1 2.95Å; E368-H370 IonicContact OE1-NE2 2.64Å; E368-H370 PolarHBondContact OE1-NE2 3.14Å; E368-F375 HydrophobicContact CG-CB 4.15Å; E368-F375 HydrophobicContact CG-CD1 3.6Å; E368-F375 HydrophobicContact CG-CG 4.37Å; E368-F375 PolarHBondContact N-O 3.15Å; E368-F375 PolarHBondContact O-N 3.41Å; E368-F375 VanDerWaalsContact OE1-CD1 3.28Å; E368-F375 WeakPolarHBondContact OE1-CD1 3.12Å
369F90.4Very high86.4Confident11 Ų1136.5 Ų36.55%0.04819%0.194CC..EExtended strand (participates in β ladder)trans-91.5135.7172.8-69.5-69000111.2Y257 K258 P259 G260 A262 L295 I297 L307 V374Y257-F369 AromaticContact CD1-CD1 3.83Å; Y257-F369 HydrophobicContact CD1-CD1 3.83Å; Y257-F369 AromaticContact CD1-CE1 3.75Å; Y257-F369 HydrophobicContact CD1-CE1 3.75Å; Y257-F369 HydrophobicContact CE1-CD1 4.27Å; Y257-F369 AromaticContact CE1-CE1 3.74Å; Y257-F369 HydrophobicContact CE1-CE1 3.74Å; Y257-F369 HydrophobicContact CG-CD1 4.1Å; Y257-F369 HydrophobicContact CG-CE1 4.39Å; K258-F369 VanDerWaalsContact O-CB 3.25Å; K258-F369 WeakPolarHBondContact O-CB 3.25Å; P259-F369 WeakPolarHBondContact CA-O 3.41Å; G260-F369 PolarHBondContact N-O 3.13Å; A262-F369 HydrophobicContact CB-CD1 4.34Å; A262-F369 HydrophobicContact CB-CE1 3.82Å; A262-F369 HydrophobicContact CB-CE2 4.24Å; A262-F369 HydrophobicContact CB-CZ 3.76Å; L295-F369 WeakPolarHBondContact O-CE2 3.33Å; I297-F369 HydrophobicContact CD1-CD2 3.86Å; I297-F369 HydrophobicContact CD1-CE2 3.85Å; I297-F369 HydrophobicContact CD1-CG 4.27Å; I297-F369 HydrophobicContact CD1-CZ 4.2Å; I297-F369 HydrophobicContact CG1-CD2 3.94Å; I297-F369 HydrophobicContact CG1-CE2 3.51Å; I297-F369 HydrophobicContact CG1-CZ 3.99Å; L307-F369 HydrophobicContact CD2-CE2 4.33Å; L307-F369 HydrophobicContact CD2-CZ 4.01Å; F369-V374 HydrophobicContact CD1-CB 3.73Å; F369-V374 HydrophobicContact CD1-CG2 3.89Å; F369-V374 HydrophobicContact CE1-CB 3.78Å; F369-V374 HydrophobicContact CE1-CG2 3.84Å
370H89.6Confident86.9Confident40 Ų4037.9 Ų37.919%0.18520%0.2CC..EExtended strand (participates in β ladder)trans-114.3175168.7-69.5-47.7000110.7K174 Y257 E368 G372 S373K174-H370 PolarHBondContact NZ-CE1 3.43Å; K174-H370 PolarHBondContact NZ-NE2 2.8Å; K174-H370 VanDerWaalsContact NZ-NE2 3.16Å; Y257-H370 CarbonylContact C-O 3.55Å; Y257-H370 VanDerWaalsContact C-O 3.25Å; Y257-H370 WeakPolarHBondContact CB-O 3.45Å; E368-H370 VanDerWaalsContact CD-CE1 3.47Å; E368-H370 VanDerWaalsContact CD-NE2 3.27Å; E368-H370 WeakPolarHBondContact CG-NE2 3.46Å; E368-H370 IonicContact OE1-CD2 2.83Å; E368-H370 IonicContact OE1-CE1 3.76Å; E368-H370 PolarHBondContact OE1-CE1 2.95Å; E368-H370 IonicContact OE1-NE2 2.64Å; E368-H370 PolarHBondContact OE1-NE2 3.14Å; H370-G372 PolarHBondContact O-N 3.49Å; H370-G372 VanDerWaalsContact O-N 3.15Å; H370-S373 CarbonylContact C-O 3.47Å; H370-S373 WeakPolarHBondContact CA-O 3.39Å; H370-S373 PolarHBondContact N-O 2.95Å; H370-S373 PolarHBondContact O-N 3.12Å; H370-S373 VanDerWaalsContact O-O 3.12Å
371Q91.6Very high87.2Confident134 Ų13440.8 Ų40.863%0.62621%0.212SC*.THydrogen-bonded Turntrans-60.9117.5168.3-169.659.938.700109.6S373Q371-S373 PolarHBondContact O-N 3.47Å
372G90.3Very high87.5Confident17 Ų1742.6 Ų42.618%0.17522%0.22CC..THydrogen-bonded Turntrans72.41.9176.500000116.2S185 D186 Y257 H370S185-G372 WeakPolarHBondContact CA-O 3.41Å; S185-G372 PolarHBondContact OG-O 3.23Å; D186-G372 PolarHBondContact N-O 3.31Å; D186-G372 VanDerWaalsContact N-O 3.14Å; Y257-G372 PolarHBondContact O-N 2.94Å; H370-G372 PolarHBondContact O-N 3.49Å; H370-G372 VanDerWaalsContact O-N 3.15Å
373S90.2Very high87.7Confident12 Ų1246 Ų468%0.08424%0.238CC..EExtended strand (participates in β ladder)trans-150.6149.6178.757.80000113V184 Y257 H370 Q371V184-S373 CarbonylContact O-C 3.55Å; V184-S373 VanDerWaalsContact O-CA 3.24Å; V184-S373 WeakPolarHBondContact O-CA 3.36Å; Y257-S373 VanDerWaalsContact CD2-C 3.4Å; H370-S373 CarbonylContact C-O 3.47Å; H370-S373 WeakPolarHBondContact CA-O 3.39Å; H370-S373 PolarHBondContact N-O 2.95Å; H370-S373 PolarHBondContact O-N 3.12Å; H370-S373 VanDerWaalsContact O-O 3.12Å; Q371-S373 PolarHBondContact O-N 3.47Å
374V89.1Confident87.7Confident11 Ų1147.2 Ų47.27%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-94.6130.2158.362.10000108.6V184 Y257 I297 F369V184-V374 HydrophobicContact CB-CG1 3.68Å; V184-V374 HydrophobicContact CG1-CG1 4.44Å; V184-V374 HydrophobicContact CG2-CG1 4.37Å; V184-V374 PolarHBondContact N-O 3.01Å; V184-V374 PolarHBondContact O-N 3.45Å; Y257-V374 HydrophobicContact CD2-CB 4.48Å; Y257-V374 HydrophobicContact CE2-CB 4.21Å; Y257-V374 HydrophobicContact CE2-CG1 4Å; I297-V374 HydrophobicContact CD1-CG2 3.96Å; F369-V374 HydrophobicContact CD1-CB 3.73Å; F369-V374 HydrophobicContact CD1-CG2 3.89Å; F369-V374 HydrophobicContact CE1-CB 3.78Å; F369-V374 HydrophobicContact CE1-CG2 3.84Å
375F89.6Confident87.8Confident2 Ų250.2 Ų50.21%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-102.9130.5178169.9-117.4000109.7K174 A175 N181 L182 Y183 H366 A367 E368 A377K174-F375 HydrophobicContact CB-CE1 4.18Å; K174-F375 HydrophobicContact CB-CE2 4.3Å; K174-F375 HydrophobicContact CB-CZ 3.85Å; K174-F375 HydrophobicContact CD-CD1 4.35Å; K174-F375 HydrophobicContact CD-CE1 4.23Å; A175-F375 HydrophobicContact CB-CE1 4.25Å; A175-F375 HydrophobicContact CB-CZ 3.73Å; N181-F375 HydrophobicContact CB-CE2 3.96Å; N181-F375 VanDerWaalsContact OD1-CE2 3.26Å; N181-F375 WeakPolarHBondContact OD1-CE2 3.46Å; N181-F375 VanDerWaalsContact OD1-CZ 3.25Å; N181-F375 WeakPolarHBondContact OD1-CZ 3.45Å; L182-F375 WeakPolarHBondContact O-CA 3.29Å; Y183-F375 HydrophobicContact CD1-CB 4.29Å; Y183-F375 AromaticContact CD1-CD2 3.79Å; Y183-F375 HydrophobicContact CD1-CD2 3.79Å; Y183-F375 HydrophobicContact CD1-CG 4.45Å; Y183-F375 HydrophobicContact CE1-CB 4.33Å; Y183-F375 AromaticContact CE1-CD2 3.35Å; Y183-F375 HydrophobicContact CE1-CD2 3.35Å; Y183-F375 AromaticContact CE1-CE2 3.88Å; Y183-F375 HydrophobicContact CE1-CE2 3.88Å; Y183-F375 HydrophobicContact CE1-CG 4.09Å; Y183-F375 HydrophobicContact CE2-CD2 4.23Å; Y183-F375 HydrophobicContact CE2-CE2 4.23Å; Y183-F375 HydrophobicContact CG-CD2 4.38Å; Y183-F375 AromaticContact CZ-CD2 3.61Å; Y183-F375 AromaticContact CZ-CE2 3.65Å; H366-F375 AromaticContact CD2-CE1 3.97Å; A367-F375 VanDerWaalsContact CA-O 3.31Å; A367-F375 WeakPolarHBondContact CA-O 3.49Å; E368-F375 HydrophobicContact CG-CB 4.15Å; E368-F375 HydrophobicContact CG-CD1 3.6Å; E368-F375 HydrophobicContact CG-CG 4.37Å; E368-F375 PolarHBondContact N-O 3.15Å; E368-F375 PolarHBondContact O-N 3.41Å; E368-F375 VanDerWaalsContact OE1-CD1 3.28Å; E368-F375 WeakPolarHBondContact OE1-CD1 3.12Å; F375-A377 HydrophobicContact CE1-CB 3.93Å; F375-A377 HydrophobicContact CE2-CB 4.05Å; F375-A377 HydrophobicContact CZ-CB 3.48Å; F375-A377 VanDerWaalsContact CZ-CB 3.48Å
376L89Confident87.6Confident20 Ų2050 Ų5011%0.10526%0.259CS..EExtended strand (participates in β ladder)trans-124.7126.7176-59169.2000107.6L182 F305 H366 A367L182-L376 HydrophobicContact CB-CB 4.23Å; L182-L376 HydrophobicContact CD2-CD1 3.9Å; L182-L376 HydrophobicContact CG-CD1 4.48Å; L182-L376 PolarHBondContact N-O 3.14Å; L182-L376 PolarHBondContact O-N 2.91Å; F305-L376 HydrophobicContact CD2-CD2 4.21Å; F305-L376 HydrophobicContact CE2-CD2 4.13Å; H366-L376 CarbonylContact O-C 3.25Å; H366-L376 WeakPolarHBondContact O-CA 3.09Å; A367-L376 HydrophobicContact CB-CD2 3.46Å; A367-L376 VanDerWaalsContact CB-CD2 3.46Å
377A89.7Confident87.1Confident0 Ų049.1 Ų49.10%026%0.257CS..EExtended strand (participates in β ladder)trans-130.8136.6173.600000111.1A175 K178 I180 L365 H366 F375A175-A377 HydrophobicContact CB-CB 3.68Å; K178-A377 HydrophobicContact CB-CB 4.03Å; K178-A377 HydrophobicContact CG-CB 3.91Å; I180-A377 WeakPolarHBondContact O-CA 3.46Å; L365-A377 CarbonylContact C-O 3.55Å; L365-A377 WeakPolarHBondContact CA-O 3.39Å; H366-A377 HydrophobicContact CB-CB 4.48Å; H366-A377 PolarHBondContact N-O 3.46Å; H366-A377 PolarHBondContact O-N 3.15Å; F375-A377 HydrophobicContact CE1-CB 3.93Å; F375-A377 HydrophobicContact CE2-CB 4.05Å; F375-A377 HydrophobicContact CZ-CB 3.48Å; F375-A377 VanDerWaalsContact CZ-CB 3.48Å
378F88.9Confident86.7Confident16 Ų1653 Ų537%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-159.8160.2-174.652.2-92.6000112.1M179 I180 M362 L365 L380M179-F378 PolarHBondContact N-O 3.41Å; I180-F378 HydrophobicContact CB-CD2 4.08Å; I180-F378 HydrophobicContact CB-CE1 4.3Å; I180-F378 HydrophobicContact CB-CE2 3.68Å; I180-F378 HydrophobicContact CB-CZ 3.81Å; I180-F378 HydrophobicContact CD1-CE2 3.97Å; I180-F378 HydrophobicContact CD1-CZ 4.24Å; I180-F378 HydrophobicContact CG1-CE2 4.07Å; I180-F378 HydrophobicContact CG1-CZ 4.47Å; I180-F378 HydrophobicContact CG2-CE1 3.86Å; I180-F378 HydrophobicContact CG2-CE2 3.92Å; I180-F378 HydrophobicContact CG2-CZ 3.48Å; I180-F378 VanDerWaalsContact CG2-CZ 3.48Å; I180-F378 PolarHBondContact N-O 2.93Å; I180-F378 PolarHBondContact O-N 3.06Å; I180-F378 VanDerWaalsContact O-N 3.08Å; M362-F378 HydrophobicContact CB-CD2 4.22Å; M362-F378 HydrophobicContact CG-CD2 3.62Å; M362-F378 HydrophobicContact CG-CE2 3.82Å; M362-F378 HydrophobicContact CG-CG 4.32Å; M362-F378 HydrophobicContact SD-CD2 4.22Å; M362-F378 HydrophobicContact SD-CE2 4.01Å; M362-F378 HydrophobicContact SD-CZ 4.31Å; L365-F378 HydrophobicContact CB-CB 4.48Å; L365-F378 HydrophobicContact CD1-CB 4.06Å; L365-F378 HydrophobicContact CD1-CD1 3.85Å; L365-F378 HydrophobicContact CD1-CG 4.35Å; F378-L380 HydrophobicContact CD2-CG 4.28Å; F378-L380 HydrophobicContact CE2-CD1 4.39Å; F378-L380 HydrophobicContact CE2-CD2 4.45Å; F378-L380 HydrophobicContact CE2-CG 4.05Å
379D88.3Confident86.3Confident27 Ų2758.1 Ų58.114%0.14430%0.296CS..EExtended strand (participates in β ladder)trans-95.9134.9174.3-61.1-43.5000109.7K178 M179 M362 E363 N364K178-D379 WeakPolarHBondContact CA-OD1 3.42Å; K178-D379 WeakPolarHBondContact CD-OD1 3.46Å; K178-D379 IonicContact NZ-OD2 2.64Å; K178-D379 PolarHBondContact NZ-OD2 3.41Å; M179-D379 PolarHBondContact N-OD1 2.87Å; M362-D379 WeakPolarHBondContact CA-O 3.25Å; E363-D379 PolarHBondContact N-O 3.4Å; E363-D379 PolarHBondContact O-N 3.41Å; N364-D379 WeakPolarHBondContact CB-OD2 3.42Å; N364-D379 PolarHBondContact ND2-OD2 3.22Å
380L85.6Confident85.6Confident44 Ų4463.1 Ų63.123%0.2332%0.318CS..EExtended strand (participates in β ladder)trans-100.7113.8176.8-90168.2000109.6M179 I180 A360 M362 F378M179-L380 HydrophobicContact SD-CB 4.33Å; M179-L380 VanDerWaalsContact SD-O 3.34Å; I180-L380 HydrophobicContact CD1-CD1 3.24Å; I180-L380 HydrophobicContact CD1-CG 4.28Å; I180-L380 HydrophobicContact CG1-CD1 3.75Å; I180-L380 HydrophobicContact CG1-CG 4.48Å; A360-L380 HydrophobicContact CB-CD2 3.59Å; M362-L380 HydrophobicContact CG-CD2 4.06Å; F378-L380 HydrophobicContact CD2-CG 4.28Å; F378-L380 HydrophobicContact CE2-CD1 4.39Å; F378-L380 HydrophobicContact CE2-CD2 4.45Å; F378-L380 HydrophobicContact CE2-CG 4.05Å
381I84.6Confident84.8Confident75 Ų7564.1 Ų64.139%0.38532%0.324SS..EExtended strand (participates in β ladder)trans-96.2114.7169.9-59-168.7000108.3A360 T361 E363A360-I381 CarbonylContact C-O 3.39Å; A360-I381 WeakPolarHBondContact CA-O 3.11Å; T361-I381 PolarHBondContact N-O 3.45Å; T361-I381 PolarHBondContact O-N 3.47Å; T361-I381 WeakPolarHBondContact OG1-CB 3.4Å; T361-I381 PolarHBondContact OG1-O 3.46Å; E363-I381 HydrophobicContact CG-CD1 4.04Å; E363-I381 HydrophobicContact CG-CG1 4.42Å; E363-I381 WeakPolarHBondContact OE1-CD1 3.13Å; E363-I381 WeakPolarHBondContact OE2-CD1 2.97Å
382L83.3Confident84.1Confident91 Ų9160.7 Ų60.748%0.47631%0.312SS..EExtended strand (participates in β ladder)trans-84.1136.6178.4-60.1174000109.9A360 D384 L387A360-L382 HydrophobicContact CB-CD2 3.86Å; L382-D384 PolarHBondContact O-N 3.22Å; L382-L387 HydrophobicContact CB-CD1 3.68Å; L382-L387 HydrophobicContact CD1-CD1 3.95Å; L382-L387 HydrophobicContact CG-CD1 4.28Å
383N83.1Confident83.3Confident86 Ų8663 Ų6346%0.4632%0.323SS..  trans-84.9103.7171.8-177.6-44.7000108.8C359 Q385 C386 L387C359-N383 PolarHBondContact O-N 2.99Å; N383-Q385 VanDerWaalsContact C-N 3.29Å; N383-Q385 PolarHBondContact O-N 2.91Å; N383-Q385 WeakPolarHBondContact OD1-CB 3.49Å; N383-Q385 PolarHBondContact OD1-N 3.21Å; N383-Q385 VanDerWaalsContact OD1-N 3.09Å; N383-C386 HydrophobicContact CB-CB 3.85Å; N383-C386 WeakPolarHBondContact O-CA 3.13Å; N383-C386 VanDerWaalsContact O-CB 3.26Å; N383-C386 WeakPolarHBondContact O-CB 3.48Å; N383-C386 PolarHBondContact O-N 2.94Å; N383-C386 PolarHBondContact OD1-N 2.9Å; N383-L387 PolarHBondContact O-N 3.23Å
384D84.7Confident82.2Confident113 Ų11364.2 Ų64.260%0.60433%0.33SS*.Hα-helixtrans-54.8-42-178.5-69.3-15000112.6L382 C386 L387 I388L382-D384 PolarHBondContact O-N 3.22Å; D384-C386 VanDerWaalsContact C-N 3.27Å; D384-C386 PolarHBondContact O-N 3.02Å; D384-L387 PolarHBondContact O-N 2.87Å; D384-I388 WeakPolarHBondContact O-CB 3.45Å; D384-I388 WeakPolarHBondContact O-CG1 3.41Å; D384-I388 PolarHBondContact O-N 2.64Å
385Q86.1Confident81.3Confident161 Ų16166.5 Ų66.575%0.75234%0.344SS*.Hα-helixtrans-63.4-36.4177.8-67.2-174.2-8.900111.9N383 K389N383-Q385 VanDerWaalsContact C-N 3.29Å; N383-Q385 PolarHBondContact O-N 2.91Å; N383-Q385 WeakPolarHBondContact OD1-CB 3.49Å; N383-Q385 PolarHBondContact OD1-N 3.21Å; N383-Q385 VanDerWaalsContact OD1-N 3.09Å; Q385-K389 WeakPolarHBondContact O-CB 3.01Å; Q385-K389 PolarHBondContact O-N 2.88Å
386C81.9Confident80.4Confident33 Ų3371.7 Ų71.722%0.22337%0.368CS..Hα-helixtrans-67.4-44.9175.7-161.90000111.2S358 C359 N383 D384 K389 K390S358-C386 PolarHBondContact O-SG 3.46Å; C359-C386 WeakPolarHBondContact CA-SG 3.47Å; C359-C386 HydrophobicContact CB-CB 3.59Å; C359-C386 WeakPolarHBondContact CB-SG 3.48Å; C359-C386 WeakPolarHBondContact SG-CB 3.36Å; C359-C386 CovalentContact SG-SG 2.04Å; C359-C386 PolarHBondContact SG-SG 2.91Å; N383-C386 HydrophobicContact CB-CB 3.85Å; N383-C386 WeakPolarHBondContact O-CA 3.13Å; N383-C386 VanDerWaalsContact O-CB 3.26Å; N383-C386 WeakPolarHBondContact O-CB 3.48Å; N383-C386 PolarHBondContact O-N 2.94Å; N383-C386 PolarHBondContact OD1-N 2.9Å; D384-C386 VanDerWaalsContact C-N 3.27Å; D384-C386 PolarHBondContact O-N 3.02Å; C386-K389 PolarHBondContact O-N 2.85Å; C386-K390 PolarHBondContact O-N 2.82Å
387L76.8Confident79.5Confident67 Ų6775.9 Ų75.935%0.35139%0.387SS..Hα-helixtrans-62.3-51.9176.3-84.7167.3000111.7L382 N383 D384 K389 K390 L391L382-L387 HydrophobicContact CB-CD1 3.68Å; L382-L387 HydrophobicContact CD1-CD1 3.95Å; L382-L387 HydrophobicContact CG-CD1 4.28Å; N383-L387 PolarHBondContact O-N 3.23Å; D384-L387 PolarHBondContact O-N 2.87Å; L387-K389 VanDerWaalsContact C-N 3.3Å; L387-K389 PolarHBondContact O-N 3Å; L387-K390 PolarHBondContact O-N 2.98Å; L387-K390 VanDerWaalsContact O-N 3.11Å; L387-L391 WeakPolarHBondContact O-CB 3.31Å; L387-L391 PolarHBondContact O-N 3.13Å
388I79.2Confident78.3Confident105 Ų10578 Ų7854%0.53840%0.396SS..Hα-helixtrans-55-49177.1-69.6165.8000109.2D384 K390 L391 T392D384-I388 WeakPolarHBondContact O-CB 3.45Å; D384-I388 WeakPolarHBondContact O-CG1 3.41Å; D384-I388 PolarHBondContact O-N 2.64Å; I388-K390 VanDerWaalsContact C-N 3.32Å; I388-K390 PolarHBondContact O-N 3.31Å; I388-L391 PolarHBondContact O-N 3.22Å; I388-L391 VanDerWaalsContact O-N 3.13Å; I388-T392 WeakPolarHBondContact O-CB 3.49Å; I388-T392 PolarHBondContact O-N 2.88Å; I388-T392 PolarHBondContact O-OG1 3.19Å
389K80.6Confident77.1Confident155 Ų15582.5 Ų82.567%0.67442%0.42SS*.Hα-helixtrans-58.8-42.4179.2-174.1-179.9178.4-173.70112.5Q385 C386 L387 T393Q385-K389 WeakPolarHBondContact O-CB 3.01Å; Q385-K389 PolarHBondContact O-N 2.88Å; C386-K389 PolarHBondContact O-N 2.85Å; L387-K389 VanDerWaalsContact C-N 3.3Å; L387-K389 PolarHBondContact O-N 3Å; K389-T393 PolarHBondContact O-N 3.38Å; K389-T393 VanDerWaalsContact O-N 3.1Å; K389-T393 PolarHBondContact O-OG1 2.64Å
390K75.2Confident75.9Confident117 Ų11789.2 Ų89.251%0.50945%0.451SS..Hα-helixtrans-64.3-47174.9-77.2-168.3173.9-168.10111C386 L387 I388 T393 V394C386-K390 PolarHBondContact O-N 2.82Å; L387-K390 PolarHBondContact O-N 2.98Å; L387-K390 VanDerWaalsContact O-N 3.11Å; I388-K390 VanDerWaalsContact C-N 3.32Å; I388-K390 PolarHBondContact O-N 3.31Å; K390-T393 WeakPolarHBondContact O-CB 3.46Å; K390-T393 PolarHBondContact O-N 3.13Å; K390-V394 WeakPolarHBondContact O-CG2 3.48Å; K390-V394 PolarHBondContact O-N 3.4Å; K390-V394 VanDerWaalsContact O-N 3.1Å
391L73.3Confident74.3Confident61 Ų6193.7 Ų93.732%0.31947%0.474SS..Hα-helixtrans-63.6-44.8-178.9-141.6113.1000111.7L387 I388 T393 V394 V395L387-L391 WeakPolarHBondContact O-CB 3.31Å; L387-L391 PolarHBondContact O-N 3.13Å; I388-L391 PolarHBondContact O-N 3.22Å; I388-L391 VanDerWaalsContact O-N 3.13Å; L391-T393 VanDerWaalsContact C-N 3.27Å; L391-T393 PolarHBondContact O-N 3.13Å; L391-V394 WeakPolarHBondContact O-CB 3.37Å; L391-V394 PolarHBondContact O-N 3.39Å; L391-V394 VanDerWaalsContact O-N 3.13Å; L391-V395 WeakPolarHBondContact O-CG2 3.31Å; L391-V395 PolarHBondContact O-N 3.39Å
392T75.9Confident72.8Confident61 Ų6196 Ų9637%0.37448%0.478SS..Hα-helixtrans-60-38.4174.6-54.20000111.4I388 V394 V395 Q396I388-T392 WeakPolarHBondContact O-CB 3.49Å; I388-T392 PolarHBondContact O-N 2.88Å; I388-T392 PolarHBondContact O-OG1 3.19Å; T392-V394 VanDerWaalsContact C-N 3.33Å; T392-V394 PolarHBondContact O-N 3.13Å; T392-V395 PolarHBondContact O-N 3.16Å; T392-Q396 HydrophobicContact CG2-CG 4.24Å; T392-Q396 VanDerWaalsContact O-CB 3.29Å; T392-Q396 WeakPolarHBondContact O-CB 3.33Å; T392-Q396 VanDerWaalsContact O-CG 3.24Å; T392-Q396 WeakPolarHBondContact O-CG 3.46Å; T392-Q396 PolarHBondContact O-N 3.44Å
393T74.4Confident71Confident66 Ų6696.3 Ų96.341%0.40549%0.486SS..Hα-helixtrans-62.6-42.8175.9-54.50000110.9K389 K390 L391 Q396 Q397K389-T393 PolarHBondContact O-N 3.38Å; K389-T393 VanDerWaalsContact O-N 3.1Å; K389-T393 PolarHBondContact O-OG1 2.64Å; K390-T393 WeakPolarHBondContact O-CB 3.46Å; K390-T393 PolarHBondContact O-N 3.13Å; L391-T393 VanDerWaalsContact C-N 3.27Å; L391-T393 PolarHBondContact O-N 3.13Å; T393-Q396 PolarHBondContact O-N 2.83Å; T393-Q397 WeakPolarHBondContact O-CG 3.44Å; T393-Q397 PolarHBondContact O-N 2.8Å
394V68Low69.4Low37 Ų3798.9 Ų98.922%0.22451%0.505CS..Hα-helixtrans-64.6-45.7176.6175.20000111.3L77 K390 L391 T392 Q396 Q397 K398L77-V394 HydrophobicContact CB-CG1 3.87Å; L77-V394 HydrophobicContact CD1-CG1 3.44Å; L77-V394 VanDerWaalsContact CD1-CG1 3.44Å; L77-V394 HydrophobicContact CG-CG1 4.23Å; K390-V394 WeakPolarHBondContact O-CG2 3.48Å; K390-V394 PolarHBondContact O-N 3.4Å; K390-V394 VanDerWaalsContact O-N 3.1Å; L391-V394 WeakPolarHBondContact O-CB 3.37Å; L391-V394 PolarHBondContact O-N 3.39Å; L391-V394 VanDerWaalsContact O-N 3.13Å; T392-V394 VanDerWaalsContact C-N 3.33Å; T392-V394 PolarHBondContact O-N 3.13Å; V394-Q396 PolarHBondContact O-N 3.44Å; V394-Q397 PolarHBondContact O-N 3.16Å; V394-K398 PolarHBondContact O-N 3.38Å; V394-K398 VanDerWaalsContact O-N 3.17Å
395V69.3Low67.3Low60 Ų60102.3 Ų102.336%0.36451%0.514SS..Hα-helixtrans-64.1-41.8177.9173.70000111.3L391 T392 Q397 K398 L399L391-V395 WeakPolarHBondContact O-CG2 3.31Å; L391-V395 PolarHBondContact O-N 3.39Å; T392-V395 PolarHBondContact O-N 3.16Å; V395-Q397 PolarHBondContact O-N 3.48Å; V395-K398 WeakPolarHBondContact O-CB 3.39Å; V395-K398 PolarHBondContact O-N 3.45Å; V395-K398 VanDerWaalsContact O-N 3.16Å; V395-L399 HydrophobicContact CG1-CD1 4.34Å; V395-L399 PolarHBondContact O-N 3.16Å
396Q71.1Confident65Low110 Ų11099.7 Ų99.751%0.51451%0.505SS..Hα-helixtrans-64.8-38.5177.1-77.3178.6-8.300112.5T392 T393 V394 K398 L399 Q400T392-Q396 HydrophobicContact CG2-CG 4.24Å; T392-Q396 VanDerWaalsContact O-CB 3.29Å; T392-Q396 WeakPolarHBondContact O-CB 3.33Å; T392-Q396 VanDerWaalsContact O-CG 3.24Å; T392-Q396 WeakPolarHBondContact O-CG 3.46Å; T392-Q396 PolarHBondContact O-N 3.44Å; T393-Q396 PolarHBondContact O-N 2.83Å; V394-Q396 PolarHBondContact O-N 3.44Å; Q396-K398 VanDerWaalsContact C-N 3.28Å; Q396-K398 PolarHBondContact O-N 2.98Å; Q396-L399 PolarHBondContact O-N 2.89Å; Q396-Q400 PolarHBondContact O-N 3.46Å
397Q68.7Low63Low109 Ų109101.9 Ų101.951%0.50953%0.526SS..Hα-helixtrans-60.3-39.1172.5-79.5177.9-1900111.5T393 V394 V395 Q400 L401T393-Q397 WeakPolarHBondContact O-CG 3.44Å; T393-Q397 PolarHBondContact O-N 2.8Å; V394-Q397 PolarHBondContact O-N 3.16Å; V395-Q397 PolarHBondContact O-N 3.48Å; Q397-Q400 PolarHBondContact O-N 2.86Å; Q397-L401 WeakPolarHBondContact O-CG 3.43Å; Q397-L401 PolarHBondContact O-N 3.36Å
398K65.2Low61.2Low44 Ų44103.7 Ų103.719%0.19154%0.544CS..Hα-helixtrans-66.8-42.5175.8-167.9-178.4-177.5175.70112.5D70 T73 V394 V395 Q396 Q400 L401 R402D70-K398 WeakPolarHBondContact OD1-CE 3.39Å; D70-K398 IonicContact OD1-NZ 2.63Å; D70-K398 PolarHBondContact OD1-NZ 3.33Å; T73-K398 VanDerWaalsContact CB-NZ 3.34Å; T73-K398 HydrophobicContact CG2-CD 3.68Å; T73-K398 HydrophobicContact CG2-CG 4.36Å; T73-K398 PolarHBondContact OG1-NZ 3.27Å; V394-K398 PolarHBondContact O-N 3.38Å; V394-K398 VanDerWaalsContact O-N 3.17Å; V395-K398 WeakPolarHBondContact O-CB 3.39Å; V395-K398 PolarHBondContact O-N 3.45Å; V395-K398 VanDerWaalsContact O-N 3.16Å; Q396-K398 VanDerWaalsContact C-N 3.28Å; Q396-K398 PolarHBondContact O-N 2.98Å; K398-Q400 PolarHBondContact O-N 3.23Å; K398-L401 PolarHBondContact O-N 2.96Å; K398-R402 PolarHBondContact O-N 3.3Å
399L63Low59.3Low111 Ų111102.9 Ų102.958%0.58154%0.54SS*.Hα-helixtrans-60.6-29.6179-77.6167.7000112.6V395 Q396 L401V395-L399 HydrophobicContact CG1-CD1 4.34Å; V395-L399 PolarHBondContact O-N 3.16Å; Q396-L399 PolarHBondContact O-N 2.89Å; L399-L401 VanDerWaalsContact C-N 3.34Å
400Q63.9Low57Low167 Ų16799.9 Ų99.978%0.7854%0.538SS*.Hα-helixtrans-77.4-18174.6-67.117812.200113.6Q396 Q397 K398Q396-Q400 PolarHBondContact O-N 3.46Å; Q397-Q400 PolarHBondContact O-N 2.86Å; K398-Q400 PolarHBondContact O-N 3.23Å
401L53.2Low55Low138 Ų138100.1 Ų100.172%0.72355%0.553SS**Hα-helixtrans-98.6-7.3-176-73.2167.7000114.2Q397 K398 L399 P403Q397-L401 WeakPolarHBondContact O-CG 3.43Å; Q397-L401 PolarHBondContact O-N 3.36Å; K398-L401 PolarHBondContact O-N 2.96Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L401-P403 VanDerWaalsContact O-CD 3.27Å; L401-P403 WeakPolarHBondContact O-CD 3.47Å
402R52.9Low53.1Low123 Ų123100.7 Ų100.746%0.46456%0.562SS.*SBendtrans-70.5118.4174.2-79.4-167.8-175.9-172.73.5109.3D70 K398 T404D70-R402 IonicContact OD1-NH2 3.46Å; D70-R402 PolarHBondContact OD1-NH2 2.89Å; D70-R402 IonicContact OD2-NH2 3.4Å; D70-R402 PolarHBondContact OD2-NH2 3.44Å; K398-R402 PolarHBondContact O-N 3.3Å; R402-T404 PolarHBondContact O-N 2.93Å
403P45Very low51.1Low99 Ų99101.1 Ų101.164%0.64357%0.566SS**  trans-62.7135.7169-12.126.8000108.4L401 K405L401-P403 VanDerWaalsContact O-CD 3.27Å; L401-P403 WeakPolarHBondContact O-CD 3.47Å; P403-K405 HydrophobicContact CB-CB 4.47Å; P403-K405 HydrophobicContact CB-CG 4.12Å; P403-K405 PolarHBondContact O-N 3.22Å
404T49.2Very low49.3Very low139 Ų139105.2 Ų105.285%0.85358%0.584SS**  trans-68.751.7169.548.10000111.3R402R402-T404 PolarHBondContact O-N 2.93Å
405K40.7Very low47.7Very low186 Ų186106 Ų10681%0.80959%0.588SS**  trans-86.1-14.2-178.3-85.4-169.6173.2-1730113.9P403P403-K405 HydrophobicContact CB-CB 4.47Å; P403-K405 HydrophobicContact CB-CG 4.12Å; P403-K405 PolarHBondContact O-N 3.22Å
406D38.5Very low45.9Very low106 Ų106111.3 Ų111.357%0.56761%0.609SS**  trans-117.168172.6-65.5-39.7000111.8S408 L409D406-S408 PolarHBondContact O-N 3.12Å; D406-L409 PolarHBondContact O-N 3.27Å
407A38.1Very low44.2Very low79 Ų79110.6 Ų110.665%0.65360%0.602SS**G310 helixtrans-65.5-6.5164.100000112.5L409 C410A407-L409 VanDerWaalsContact C-N 3.35Å; A407-C410 PolarHBondContact O-SG 2.01Å
408S40.1Very low42.4Very low105 Ų105111.2 Ų111.273%0.73461%0.613SS**G310 helixtrans-82.6-7.6174.958.60000114D406D406-S408 PolarHBondContact O-N 3.12Å
409L38.9Very low40.8Very low87 Ų87113.5 Ų113.546%0.45562%0.624SS.*G310 helixtrans-109.644.3173.4-90.2146.4000111.3D406 A407 C411 S412D406-L409 PolarHBondContact O-N 3.27Å; A407-L409 VanDerWaalsContact C-N 3.35Å; L409-C411 PolarHBondContact O-N 3.33Å; L409-S412 PolarHBondContact O-N 3.24Å
410C32.1Very low39.2Very low92 Ų92114.5 Ų114.562%0.62263%0.628SS**THydrogen-bonded Turntrans-63.912.3173.7-78.80000115.2A407 C439A407-C410 PolarHBondContact O-SG 2.01Å; C410-C439 PolarHBondContact O-SG 3.17Å
411C34.4Very low37.4Very low122 Ų122115.2 Ų115.282%0.82463%0.634SS**THydrogen-bonded Turntrans-127.414.9177.4-69.10000113.7L409 P413L409-C411 PolarHBondContact O-N 3.33Å; C411-P413 WeakPolarHBondContact O-CD 3.17Å
412S32.3Very low36.4Very low73 Ų73114.4 Ų114.451%0.5162%0.621SS.*  trans-82.7118.3170.7-101.70000110L409 I414L409-S412 PolarHBondContact O-N 3.24Å; S412-I414 PolarHBondContact O-N 3.01Å
413P34.4Very low35.2Very low71 Ų71111.5 Ų111.546%0.46163%0.63SS.*  trans-62135.4177.525.2-31000109.3C411 V415C411-P413 WeakPolarHBondContact O-CD 3.17Å; P413-V415 VanDerWaalsContact C-N 3.32Å; P413-V415 HydrophobicContact CG-CG2 4.4Å; P413-V415 PolarHBondContact O-N 2.78Å
414I35.4Very low34.5Very low152 Ų152110.9 Ų110.978%0.77963%0.632SS**  trans-63.499.5164-61.8171.1000105.9S412 E416S412-I414 PolarHBondContact O-N 3.01Å; I414-E416 PolarHBondContact O-N 3.31Å
415V35.3Very low33.7Very low53 Ų53111.9 Ų111.932%0.32163%0.633SS.*  trans-80.9108.8171.5-176.70000106.8P413 Y417 F433P413-V415 VanDerWaalsContact C-N 3.32Å; P413-V415 HydrophobicContact CG-CG2 4.4Å; P413-V415 PolarHBondContact O-N 2.78Å; V415-Y417 HydrophobicContact CB-CD2 4.3Å; V415-Y417 HydrophobicContact CB-CE1 4.22Å; V415-Y417 HydrophobicContact CB-CE2 3.74Å; V415-Y417 HydrophobicContact CG1-CD1 3.85Å; V415-Y417 HydrophobicContact CG1-CD2 4.17Å; V415-Y417 HydrophobicContact CG1-CE1 3.51Å; V415-Y417 HydrophobicContact CG1-CE2 3.88Å; V415-Y417 HydrophobicContact CG1-CG 4.17Å; V415-Y417 VanDerWaalsContact O-CD2 3.29Å; V415-Y417 WeakPolarHBondContact O-CD2 3.44Å; V415-Y417 PolarHBondContact O-N 3.44Å; V415-Y417 VanDerWaalsContact O-N 3.16Å; V415-F433 HydrophobicContact CG1-CD1 4.29Å; V415-F433 HydrophobicContact CG1-CE1 3.95Å
416E31.4Very low33.1Very low171 Ų171105.7 Ų105.780%0.79962%0.616SS**  trans-68.3105.5163.2-85.8-173.9151.800108.1I414I414-E416 PolarHBondContact O-N 3.31Å
417Y35.4Very low32.6Very low95 Ų95109.3 Ų109.337%0.37363%0.627SS.*  trans-84.7117.2171.4-62.1-80.6000109.6I67 V415 F419I67-Y417 HydrophobicContact CD1-CE1 4.21Å; I67-Y417 HydrophobicContact CG1-CE1 4.28Å; V415-Y417 HydrophobicContact CB-CD2 4.3Å; V415-Y417 HydrophobicContact CB-CE1 4.22Å; V415-Y417 HydrophobicContact CB-CE2 3.74Å; V415-Y417 HydrophobicContact CG1-CD1 3.85Å; V415-Y417 HydrophobicContact CG1-CD2 4.17Å; V415-Y417 HydrophobicContact CG1-CE1 3.51Å; V415-Y417 HydrophobicContact CG1-CE2 3.88Å; V415-Y417 HydrophobicContact CG1-CG 4.17Å; V415-Y417 VanDerWaalsContact O-CD2 3.29Å; V415-Y417 WeakPolarHBondContact O-CD2 3.44Å; V415-Y417 PolarHBondContact O-N 3.44Å; V415-Y417 VanDerWaalsContact O-N 3.16Å; Y417-F419 HydrophobicContact CG-CE2 4.39Å
418V31Very low32.3Very low122 Ų122111.5 Ų111.574%0.73963%0.634SS**  trans-93.3101.4164.3-176.20000107.4I420V418-I420 HydrophobicContact CG1-CD1 4.34Å; V418-I420 HydrophobicContact CG1-CG1 3.92Å; V418-I420 PolarHBondContact O-N 3.04Å
419F30.9Very low31.8Very low93 Ų93115.1 Ų115.141%0.40864%0.637SS.*  trans-78109.7171.5-73.7-87.2000109.4V71 Y417V71-F419 HydrophobicContact CG2-CE1 4.04Å; V71-F419 HydrophobicContact CG2-CZ 4.19Å; Y417-F419 HydrophobicContact CG-CE2 4.39Å
420I29.2Very low31.2Very low131 Ų131116.3 Ų116.367%0.67265%0.653SS**  trans-105.1102.2168.5-53.5-179.8000107.1V418 R422V418-I420 HydrophobicContact CG1-CD1 4.34Å; V418-I420 HydrophobicContact CG1-CG1 3.92Å; V418-I420 PolarHBondContact O-N 3.04Å; I420-R422 HydrophobicContact CG2-CG 4.41Å; I420-R422 PolarHBondContact O-N 3.28Å
421M26.2Very low31Very low183 Ų183116 Ų11690%0.90166%0.656SS**  trans-70.9119.7171.3-70.8-98.2-78.700108.5
422R33Very low30.7Very low121 Ų121115.3 Ų115.346%0.45765%0.653SS.*  trans-109.9135.8175.9-87.3177.2163.8-172.4-7.5110.8I420 A426 K427I420-R422 HydrophobicContact CG2-CG 4.41Å; I420-R422 PolarHBondContact O-N 3.28Å; R422-A426 HydrophobicContact CG-CB 4.13Å; R422-A426 PolarHBondContact NH1-O 2.55Å; R422-K427 VanDerWaalsContact NH1-C 3.35Å; R422-K427 PolarHBondContact NH1-O 3.29Å; R422-K427 PolarHBondContact NH2-O 3.24Å
423G26.9Very low30.6Very low62 Ų62118.5 Ų118.564%0.63966%0.658SS**  trans-69.8159.8161.800000111.2N425G423-N425 PolarHBondContact O-N 3.27Å
424A30.5Very low30.4Very low85 Ų85123.9 Ų123.970%0.70267%0.674SS**THydrogen-bonded Turntrans-56.6-1.7-161.700000118.4
425N33.2Very low30.1Very low161 Ų161119.7 Ų119.786%0.86167%0.668SS**THydrogen-bonded Turntrans-127.817.1-170-70.6-26000116.6G423G423-N425 PolarHBondContact O-N 3.27Å
426A29Very low29.8Very low55 Ų55127.3 Ų127.346%0.45569%0.693SS.*PPolyproline II helixtrans-99.9121.8-177.300000114.6R422R422-A426 HydrophobicContact CG-CB 4.13Å; R422-A426 PolarHBondContact NH1-O 2.55Å
427K27.8Very low29.8Very low182 Ų182126 Ų12679%0.79169%0.691SS**PPolyproline II helixtrans-47.2136.7178.1-74.2-177.2178.3179.30113.5R422 F429R422-K427 VanDerWaalsContact NH1-C 3.35Å; R422-K427 PolarHBondContact NH1-O 3.29Å; R422-K427 PolarHBondContact NH2-O 3.24Å; K427-F429 PolarHBondContact O-N 3.41Å
428P31.6Very low29.5Very low125 Ų125132.5 Ų132.581%0.81272%0.715SS**PPolyproline II helixtrans-57.4130.2-174.823.9-33000111.9
429F28.9Very low29.4Very low182 Ų182131.9 Ų131.980%0.79872%0.715SS**  trans-104.4130.5167.2-127.1-89.4000107.5K427 A431K427-F429 PolarHBondContact O-N 3.41Å; F429-A431 PolarHBondContact O-N 3.05Å
430S26.8Very low29.6Very low112 Ų112132 Ų13278%0.78373%0.727SS**PPolyproline II helixtrans-74118.1173.459.20000109.7
431A28.2Very low29.6Very low84 Ų84133.5 Ų133.569%0.69474%0.737SS**PPolyproline II helixtrans-81.2131.6165.200000109.6F429F429-A431 PolarHBondContact O-N 3.05Å
432S27.1Very low29.9Very low109 Ų109136.1 Ų136.176%0.76274%0.737SS**PPolyproline II helixtrans-100.9121.7173.41630000108.4
433F31Very low29.9Very low140 Ų140138.3 Ų138.361%0.61476%0.756SS**PPolyproline II helixtrans-90.2122.9176.9-72.3-91.2000109.9V415V415-F433 HydrophobicContact CG1-CD1 4.29Å; V415-F433 HydrophobicContact CG1-CE1 3.95Å
434K29.1Very low30.2Very low184 Ų184143.3 Ų143.380%0.877%0.767SS**  trans-116.2100.3163.3-82.2-173.2177.6179.30109.2
435G30.5Very low30.2Very low63 Ų63142.4 Ų142.465%0.64977%0.766SS**  trans-79.2129.3167.800000110.8
436Y29.3Very low30.5Very low213 Ų213141.1 Ų141.184%0.83577%0.766SS**  trans-90110166.6-82.1-89.2000109.1R438Y436-R438 PolarHBondContact O-N 2.81Å
437N29.8Very low30.7Very low144 Ų144144.3 Ų144.377%0.7779%0.785SS**  trans-82.7108.4164.1-83.8-7.9000108.6
438R30.7Very low30.9Very low232 Ų232144.9 Ų144.988%0.87579%0.79SS**  trans-126.679.3160.6-109.6-172.1-178.2178.91.1108.6Y436Y436-R438 PolarHBondContact O-N 2.81Å
439C27.7Very low31Very low109 Ų109143.2 Ų143.274%0.73679%0.787SS**  trans-90.894.4149.5-72.10000105.5C410C410-C439 PolarHBondContact O-SG 3.17Å
440S35.4Very low31.4Very low95 Ų95140.7 Ų140.766%0.66479%0.789SS**  trans-97.1126166.664.80000108.3R442S440-R442 PolarHBondContact O-N 3.22Å
441D28.9Very low31.9Very low162 Ų162143.9 Ų143.987%0.86679%0.791SS**  trans-43.2119.2170.2-59-55.4000111.8
442R32.1Very low32.5Very low239 Ų239147.3 Ų147.390%0.90279%0.793SS**  trans-163.373.4156.8-114173.6-171.6-167.71.4110.5S440S440-R442 PolarHBondContact O-N 3.22Å
443I32.9Very low33.3Very low167 Ų167151.5 Ų151.586%0.85680%0.797SS**  trans-91.3108.1148.1-63.4175.6000104.9
444L34.6Very low34Very low166 Ų166154.8 Ų154.887%0.86981%0.807SS**  trans172.2116.4147.9-90170.1000107.2
445G29.6Very low34.9Very low67 Ų67150.9 Ų150.969%0.69180%0.795SS**  trans-80.3-155.9170.800000112.1
446P38.8Very low35.8Very low133 Ų133151.9 Ų151.986%0.86479%0.791SS**  -122154.1-82.636.1-26.7000111.8
447S35Very low37.2Very low122 Ų122149.7 Ų149.785%0.85379%0.786SS**  trans-152.214116445.70000112.9
448H31.1Very low38.7Very low194 Ų194150.4 Ų150.490%0.89878%0.782SS**  trans-64.1141.5-169.1-67.6-89.3000114.8
449A34.9Very low40.4Very low90 Ų90147 Ų14774%0.74477%0.774SS**  trans-157121.8148.400000111.2E451A449-E451 PolarHBondContact O-N 2.86Å
450P35.5Very low42.4Very low130 Ų130149.5 Ų149.584%0.84477%0.772SS**  trans-98.772.6179.537.4-30.3000111.8
451E37.4Very low44.3Very low178 Ų178153 Ų15383%0.83278%0.775SS**  trans-123.760.2175.6-70.1-160.9160.300113.2A449A449-E451 PolarHBondContact O-N 2.86Å
452H42.1Very low46.6Very low157 Ų157153.1 Ų153.173%0.72777%0.768SS**  trans-137.55.2173-103.2-65.6000116.5
453K44Very low48.9Very low196 Ų196149.8 Ų149.885%0.85276%0.76SS**Hα-helixtrans-76.7-20.9-178.1-81.7-178.9177.7173.50114.8
454Y44.2Very low51.2Low210 Ų210149.9 Ų149.982%0.82475%0.754SS**Hα-helixtrans-82.8-29.6-176.7-118.4-102.2000114.7
455N48.7Very low53.5Low102 Ų102150 Ų15055%0.54575%0.748SS.*Hα-helixtrans-80.1-21-177.3-100.6-28.7000114.5K459N455-K459 PolarHBondContact O-N 3.07Å
456C50.2Low56.1Low83 Ų83154.7 Ų154.756%0.56175%0.749SS**Hα-helixtrans-71.8-33.4177.1-99.10000113.4K460C456-K460 PolarHBondContact O-N 2.64Å; C456-K460 VanDerWaalsContact O-N 3.09Å
457K56.9Low58.2Low167 Ų167156.5 Ų156.573%0.72674%0.743SS**Hα-helixtrans-70.3-40.4177.4-82.3-177.1177.7175.60112.3K460 K461K457-K460 PolarHBondContact O-N 3.09Å; K457-K461 PolarHBondContact O-N 3.37Å; K457-K461 VanDerWaalsContact O-N 3.12Å
458K62.1Low60.6Low159 Ų159158.8 Ų158.869%0.69174%0.738SS**Hα-helixtrans-65.8-42.1175.6-84.5-176.5177.6175.30112.1K461 K462K458-K461 PolarHBondContact O-N 2.92Å; K458-K462 PolarHBondContact O-N 2.63Å; K458-K462 VanDerWaalsContact O-N 3.16Å
459K65.9Low63.2Low162 Ų162157.6 Ų157.670%0.70473%0.73SS**Hα-helixtrans-65.1-39175.5-79.6-176.9177.8175.70113N455 K462 K463N455-K459 PolarHBondContact O-N 3.07Å; K459-K462 PolarHBondContact O-N 3.4Å; K459-K463 PolarHBondContact O-N 2.98Å; K459-K463 VanDerWaalsContact O-N 3.15Å
460K70.7Confident65.7Low161 Ų161161.5 Ų161.570%0.773%0.73SS**Hα-helixtrans-65.4-40.5175.1-79.6-176178.1179.40112.9C456 K457 K463 K464C456-K460 PolarHBondContact O-N 2.64Å; C456-K460 VanDerWaalsContact O-N 3.09Å; K457-K460 PolarHBondContact O-N 3.09Å; K460-K463 PolarHBondContact O-N 3.31Å; K460-K464 PolarHBondContact O-N 3.45Å; K460-K464 VanDerWaalsContact O-N 3.14Å
461K74.3Confident68.1Low167 Ų167163.5 Ų163.573%0.72673%0.726SS**Hα-helixtrans-63.4-40174.7-86-174.3175.9-179.90112.4K457 K458 K464 K465K457-K461 PolarHBondContact O-N 3.37Å; K457-K461 VanDerWaalsContact O-N 3.12Å; K458-K461 PolarHBondContact O-N 2.92Å; K461-K464 PolarHBondContact O-N 3.26Å; K461-K465 PolarHBondContact O-N 3.47Å; K461-K465 VanDerWaalsContact O-N 3.15Å
462K78.5Confident70.4Confident165 Ų165163.2 Ų163.272%0.71772%0.722SS**Hα-helixtrans-67.4-37.9178.5-142.5172.3-174.8177.10112.3K458 K459 K466K458-K462 PolarHBondContact O-N 2.63Å; K458-K462 VanDerWaalsContact O-N 3.16Å; K459-K462 PolarHBondContact O-N 3.4Å; K462-K466 PolarHBondContact O-N 3.14Å
463K79.4Confident72.6Confident169 Ų169164 Ų16474%0.73572%0.723SS**Hα-helixtrans-65.6-41.3173-95.3-175.3176.3179.30112.9K459 K460 K466 K467K459-K463 PolarHBondContact O-N 2.98Å; K459-K463 VanDerWaalsContact O-N 3.15Å; K460-K463 PolarHBondContact O-N 3.31Å; K463-K466 PolarHBondContact O-N 3.04Å; K463-K467 PolarHBondContact O-N 3.38Å; K463-K467 VanDerWaalsContact O-N 3.15Å
464K81.5Confident74.7Confident170 Ų170161 Ų16174%0.73971%0.71SS**Hα-helixtrans-63.6-41.1176-86.6-172175.7-176.50112.5K460 K461 K467 K468K460-K464 PolarHBondContact O-N 3.45Å; K460-K464 VanDerWaalsContact O-N 3.14Å; K461-K464 PolarHBondContact O-N 3.26Å; K464-K467 PolarHBondContact O-N 3.06Å; K464-K468 PolarHBondContact O-N 3.24Å; K464-K468 VanDerWaalsContact O-N 3.15Å
465K82.3Confident76.8Confident169 Ų169157 Ų15774%0.73570%0.697SS**Hα-helixtrans-63.7-40.4175.5-80.7-171175.8-1750112.8K461 K468 K469K461-K465 PolarHBondContact O-N 3.47Å; K461-K465 VanDerWaalsContact O-N 3.15Å; K465-K468 PolarHBondContact O-N 2.68Å; K465-K469 PolarHBondContact O-N 3.2Å; K465-K469 VanDerWaalsContact O-N 3.16Å
466K84.4Confident78.7Confident164 Ų164158.2 Ų158.271%0.71370%0.697SS**Hα-helixtrans-64.5-39.3175.2-87-170.6174.8-174.50112.9K462 K463 K469 K470K462-K466 PolarHBondContact O-N 3.14Å; K463-K466 PolarHBondContact O-N 3.04Å; K466-K469 PolarHBondContact O-N 3.11Å; K466-K470 PolarHBondContact O-N 3.15Å; K466-K470 VanDerWaalsContact O-N 3.16Å
467K83.6Confident80.6Confident171 Ų171160 Ų16074%0.74370%0.696SS**Hα-helixtrans-65.5-40.6175.6-81.3-169.4174.9-172.40112.7K463 K464 K470 K471K463-K467 PolarHBondContact O-N 3.38Å; K463-K467 VanDerWaalsContact O-N 3.15Å; K464-K467 PolarHBondContact O-N 3.06Å; K467-K470 PolarHBondContact O-N 2.63Å; K467-K471 PolarHBondContact O-N 3.27Å; K467-K471 VanDerWaalsContact O-N 3.13Å
468K85.1Confident82.2Confident170 Ų170156.5 Ų156.574%0.73968%0.682SS**Hα-helixtrans-64-40.9175.6-81.9-168.2174.7-171.20112.7K464 K465 K471 K472K464-K468 PolarHBondContact O-N 3.24Å; K464-K468 VanDerWaalsContact O-N 3.15Å; K465-K468 PolarHBondContact O-N 2.68Å; K468-K471 PolarHBondContact O-N 2.85Å; K468-K472 PolarHBondContact O-N 3.12Å; K468-K472 VanDerWaalsContact O-N 3.13Å
469K86.1Confident83.6Confident169 Ų169153.4 Ų153.474%0.73567%0.67SS**Hα-helixtrans-64.2-38.6175.4-80.7-167.5174.7-169.90112.9K465 K466 K473K465-K469 PolarHBondContact O-N 3.2Å; K465-K469 VanDerWaalsContact O-N 3.16Å; K466-K469 PolarHBondContact O-N 3.11Å; K469-K473 PolarHBondContact O-N 3.25Å; K469-K473 VanDerWaalsContact O-N 3.16Å
470K85.9Confident84.8Confident172 Ų172150.4 Ų150.475%0.74866%0.658SS**Hα-helixtrans-65.8-39.7175-81.8-166.4173.9-167.50112.9K466 K467 K473 K474K466-K470 PolarHBondContact O-N 3.15Å; K466-K470 VanDerWaalsContact O-N 3.16Å; K467-K470 PolarHBondContact O-N 2.63Å; K470-K473 PolarHBondContact O-N 3.24Å; K470-K474 PolarHBondContact O-N 2.94Å; K470-K474 VanDerWaalsContact O-N 3.13Å
471K85.8Confident85.7Confident172 Ų172147.4 Ų147.475%0.74865%0.647SS**Hα-helixtrans-64.3-42.2175.3-84.4-165.7172.8-166.10112.6K467 K468 K474 K475K467-K471 PolarHBondContact O-N 3.27Å; K467-K471 VanDerWaalsContact O-N 3.13Å; K468-K471 PolarHBondContact O-N 2.85Å; K471-K474 PolarHBondContact O-N 2.77Å; K471-K475 PolarHBondContact O-N 3.26Å; K471-K475 VanDerWaalsContact O-N 3.11Å
472K87.1Confident86.4Confident173 Ų173146.2 Ų146.275%0.75264%0.644SS**Hα-helixtrans-63-40175.8-81.4-164.4172.9-164.30112.9K468 K476K468-K472 PolarHBondContact O-N 3.12Å; K468-K472 VanDerWaalsContact O-N 3.13Å; K472-K476 PolarHBondContact O-N 3.31Å; K472-K476 VanDerWaalsContact O-N 3.14Å
473K88.4Confident86.8Confident172 Ų172144.9 Ų144.975%0.74864%0.64SS**Hα-helixtrans-66-35.2175.6-81.4-163.8172.9-162.30113.2K469 K470 K477K469-K473 PolarHBondContact O-N 3.25Å; K469-K473 VanDerWaalsContact O-N 3.16Å; K470-K473 PolarHBondContact O-N 3.24Å; K473-K477 PolarHBondContact O-N 2.74Å
474K87.5Confident87.2Confident134 Ų134141.8 Ų141.858%0.58363%0.628SS**Hα-helixtrans-69-44177.4-165.4174.8-170.8-75.50111.6K470 K471 K476 K477 E478K470-K474 PolarHBondContact O-N 2.94Å; K470-K474 VanDerWaalsContact O-N 3.13Å; K471-K474 PolarHBondContact O-N 2.77Å; K474-K476 PolarHBondContact O-N 2.99Å; K474-K477 PolarHBondContact O-N 3.4Å; K474-E478 IonicContact NZ-OE1 3.76Å; K474-E478 PolarHBondContact NZ-OE1 3.2Å; K474-E478 PolarHBondContact O-N 3.18Å
475K88.5Confident87.3Confident126 Ų126139.9 Ų139.955%0.54862%0.622SS.*Hα-helixtrans-61.9-42177.5-160.3176.6-170.4-83.40112.4K471 K477 E478 E479K471-K475 PolarHBondContact O-N 3.26Å; K471-K475 VanDerWaalsContact O-N 3.11Å; K475-K477 VanDerWaalsContact C-N 3.33Å; K475-K477 PolarHBondContact O-N 3Å; K475-E478 PolarHBondContact O-N 3.4Å; K475-E479 IonicContact NZ-OE1 2.71Å; K475-E479 PolarHBondContact NZ-OE1 3.18Å; K475-E479 WeakPolarHBondContact O-CG 3.5Å; K475-E479 PolarHBondContact O-N 3.3Å
476K89.5Confident87.3Confident127 Ų127136.7 Ų136.755%0.55261%0.61SS**Hα-helixtrans-64.9-36.1177.4-160.4-177.5-178.7-154.70112.8K472 K474 E480K472-K476 PolarHBondContact O-N 3.31Å; K472-K476 VanDerWaalsContact O-N 3.14Å; K474-K476 PolarHBondContact O-N 2.99Å; K476-E480 VanDerWaalsContact CE-OE1 3.3Å; K476-E480 WeakPolarHBondContact CE-OE1 3.3Å; K476-E480 IonicContact NZ-OE1 3.45Å; K476-E480 PolarHBondContact NZ-OE1 2.8Å; K476-E480 WeakPolarHBondContact O-CB 3.42Å; K476-E480 WeakPolarHBondContact O-CG 3.49Å; K476-E480 PolarHBondContact O-N 3.44Å
477K90Very high87.3Confident121 Ų121132.5 Ų132.553%0.52660%0.598SS.*Hα-helixtrans-71.9-33.5177.1-165178-169.8-73.30112.6K473 K474 K475 E481K473-K477 PolarHBondContact O-N 2.74Å; K474-K477 PolarHBondContact O-N 3.4Å; K475-K477 VanDerWaalsContact C-N 3.33Å; K475-K477 PolarHBondContact O-N 3Å; K477-E481 IonicContact NZ-OE1 3.63Å; K477-E481 PolarHBondContact NZ-OE1 3.11Å; K477-E481 WeakPolarHBondContact O-CB 3.05Å; K477-E481 WeakPolarHBondContact O-CG 3.43Å; K477-E481 PolarHBondContact O-N 3.01Å; K477-E481 VanDerWaalsContact O-N 3.09Å
478E89.4Confident87.4Confident94 Ų94130.3 Ų130.344%0.43959%0.588SS.*Hα-helixtrans-69.2-40.9173.2-74.4166.117900110.9K474 K475 E481 E482K474-E478 IonicContact NZ-OE1 3.76Å; K474-E478 PolarHBondContact NZ-OE1 3.2Å; K474-E478 PolarHBondContact O-N 3.18Å; K475-E478 PolarHBondContact O-N 3.4Å; E478-E481 PolarHBondContact O-N 3.39Å; E478-E482 WeakPolarHBondContact O-CB 3.45Å; E478-E482 PolarHBondContact O-N 3.13Å
479E90.8Very high86.9Confident93 Ų93130.2 Ų130.244%0.43558%0.584SS.*Hα-helixtrans-65.4-40.3174.5-73.2165-176.100112.1K475 E482 E483K475-E479 IonicContact NZ-OE1 2.71Å; K475-E479 PolarHBondContact NZ-OE1 3.18Å; K475-E479 WeakPolarHBondContact O-CG 3.5Å; K475-E479 PolarHBondContact O-N 3.3Å; E479-E482 PolarHBondContact O-N 3.37Å; E479-E483 PolarHBondContact O-N 3.29Å; E479-E483 VanDerWaalsContact O-N 3.11Å
480E92.7Very high86.5Confident100 Ų100129.6 Ų129.647%0.46758%0.577SS.*Hα-helixtrans-66.9-35.3175.2-77168.3-171.200112.6K476 E484K476-E480 VanDerWaalsContact CE-OE1 3.3Å; K476-E480 WeakPolarHBondContact CE-OE1 3.3Å; K476-E480 IonicContact NZ-OE1 3.45Å; K476-E480 PolarHBondContact NZ-OE1 2.8Å; K476-E480 WeakPolarHBondContact O-CB 3.42Å; K476-E480 WeakPolarHBondContact O-CG 3.49Å; K476-E480 PolarHBondContact O-N 3.44Å; E480-E484 PolarHBondContact O-N 3.23Å
481E89.8Confident86.2Confident98 Ų98127 Ų12746%0.45857%0.571SS.*Hα-helixtrans-71.4-33.3175.8-80.9172-168.500112.1K477 E478 E485K477-E481 IonicContact NZ-OE1 3.63Å; K477-E481 PolarHBondContact NZ-OE1 3.11Å; K477-E481 WeakPolarHBondContact O-CB 3.05Å; K477-E481 WeakPolarHBondContact O-CG 3.43Å; K477-E481 PolarHBondContact O-N 3.01Å; K477-E481 VanDerWaalsContact O-N 3.09Å; E478-E481 PolarHBondContact O-N 3.39Å; E481-E485 PolarHBondContact O-N 3.41Å; E481-E485 VanDerWaalsContact O-N 3.13Å
482E87.7Confident85.6Confident141 Ų141129.2 Ų129.266%0.65958%0.575SS**Hα-helixtrans-71.5-41.6177.7-158.6168.5-161.200111.5E478 E479 E484 E485 E486E478-E482 WeakPolarHBondContact O-CB 3.45Å; E478-E482 PolarHBondContact O-N 3.13Å; E479-E482 PolarHBondContact O-N 3.37Å; E482-E484 VanDerWaalsContact C-N 3.34Å; E482-E484 PolarHBondContact O-N 3.46Å; E482-E485 PolarHBondContact O-N 2.99Å; E482-E486 PolarHBondContact O-N 2.7Å
483E87.6Confident84.3Confident138 Ų138129.2 Ų129.265%0.64558%0.577SS**Hα-helixtrans-62.6-37.2172.2-90.4-174.6158.800112.6E479 E486 T487E479-E483 PolarHBondContact O-N 3.29Å; E479-E483 VanDerWaalsContact O-N 3.11Å; E483-E486 PolarHBondContact O-N 3.48Å; E483-T487 PolarHBondContact O-N 3.05Å; E483-T487 PolarHBondContact O-OG1 3.38Å
484E86.9Confident83.1Confident104 Ų104128.8 Ų128.849%0.48659%0.59SS.*Hα-helixtrans-70.8-34.7179.1-155.1-165.4142.100112.2E480 E482 T487 K488E480-E484 PolarHBondContact O-N 3.23Å; E482-E484 VanDerWaalsContact C-N 3.34Å; E482-E484 PolarHBondContact O-N 3.46Å; E484-T487 WeakPolarHBondContact CA-OG1 3.29Å; E484-T487 PolarHBondContact O-OG1 3.22Å; E484-K488 WeakPolarHBondContact O-CG 3.11Å; E484-K488 PolarHBondContact O-N 3.11Å; E484-K488 IonicContact OE1-NZ 3.44Å; E484-K488 PolarHBondContact OE1-NZ 3.45Å
485E83.9Confident82.8Confident130 Ų130128.6 Ų128.661%0.60759%0.59SS**Hα-helixtrans-69-42.5171-78.7-161162.600111.3E481 E482 T487 K488 W489E481-E485 PolarHBondContact O-N 3.41Å; E481-E485 VanDerWaalsContact O-N 3.13Å; E482-E485 PolarHBondContact O-N 2.99Å; E485-T487 VanDerWaalsContact C-N 3.33Å; E485-T487 PolarHBondContact O-N 3.45Å; E485-K488 PolarHBondContact O-N 3.46Å; E485-W489 PolarHBondContact O-N 3.5Å
486E83.4Confident82.5Confident102 Ų102128.7 Ų128.748%0.47759%0.592SS.*Hα-helixtrans-63.6-37.7-179.8-146.8-167.6145.900112.2E482 E483 W489 R490E482-E486 PolarHBondContact O-N 2.7Å; E483-E486 PolarHBondContact O-N 3.48Å; E486-W489 PolarHBondContact O-N 3.25Å; E486-R490 PolarHBondContact O-N 3.42Å; E486-R490 VanDerWaalsContact O-N 3.08Å; E486-R490 IonicContact OE1-CZ 3.87Å; E486-R490 IonicContact OE1-NE 3.95Å; E486-R490 IonicContact OE1-NH2 2.94Å; E486-R490 PolarHBondContact OE1-NH2 3.28Å
487T82.8Confident82.1Confident76 Ų76128.8 Ų128.847%0.46659%0.594SS.*Hα-helixtrans-69.4-36173.726.90000113E483 E484 E485 W489 R490 N491E483-T487 PolarHBondContact O-N 3.05Å; E483-T487 PolarHBondContact O-OG1 3.38Å; E484-T487 WeakPolarHBondContact CA-OG1 3.29Å; E484-T487 PolarHBondContact O-OG1 3.22Å; E485-T487 VanDerWaalsContact C-N 3.33Å; E485-T487 PolarHBondContact O-N 3.45Å; T487-W489 VanDerWaalsContact C-N 3.31Å; T487-W489 PolarHBondContact O-N 3.11Å; T487-R490 PolarHBondContact O-N 3.08Å; T487-N491 PolarHBondContact O-N 3.49Å; T487-N491 VanDerWaalsContact O-N 3.11Å
488K86Confident81.7Confident124 Ų124129.2 Ų129.254%0.53960%0.598SS.*Hα-helixtrans-63.3-37.7173-79.4172.5-173.7152.30112.1E484 E485 W492E484-K488 WeakPolarHBondContact O-CG 3.11Å; E484-K488 PolarHBondContact O-N 3.11Å; E484-K488 IonicContact OE1-NZ 3.44Å; E484-K488 PolarHBondContact OE1-NZ 3.45Å; E485-K488 PolarHBondContact O-N 3.46Å; K488-W492 PolarHBondContact O-N 3.4Å
489W76Confident81.2Confident168 Ų168131.4 Ų131.464%0.63661%0.608SS**Hα-helixtrans-66.8-45.1175.2-82104.5000112.4E485 E486 T487 N491 W492 E493E485-W489 PolarHBondContact O-N 3.5Å; E486-W489 PolarHBondContact O-N 3.25Å; T487-W489 VanDerWaalsContact C-N 3.31Å; T487-W489 PolarHBondContact O-N 3.11Å; W489-N491 VanDerWaalsContact C-N 3.32Å; W489-N491 PolarHBondContact O-N 2.62Å; W489-W492 WeakPolarHBondContact O-CB 3.28Å; W489-W492 PolarHBondContact O-N 2.95Å; W489-E493 PolarHBondContact O-N 3.01Å
490R76.6Confident80.6Confident156 Ų156134 Ų13459%0.58962%0.62SS**Hα-helixtrans-61.7-38.8178-72.8-173.4-162.8-173.37.8113.1E486 T487 W492 E493E486-R490 PolarHBondContact O-N 3.42Å; E486-R490 VanDerWaalsContact O-N 3.08Å; E486-R490 IonicContact OE1-CZ 3.87Å; E486-R490 IonicContact OE1-NE 3.95Å; E486-R490 IonicContact OE1-NH2 2.94Å; E486-R490 PolarHBondContact OE1-NH2 3.28Å; T487-R490 PolarHBondContact O-N 3.08Å; R490-W492 PolarHBondContact O-N 2.7Å; R490-E493 PolarHBondContact O-N 2.94Å
491N80.9Confident79.7Confident117 Ų117136.4 Ų136.463%0.62663%0.631SS**Hα-helixtrans-71.9-8.7177.6-69.7-11.1000113.6T487 W489 T494T487-N491 PolarHBondContact O-N 3.49Å; T487-N491 VanDerWaalsContact O-N 3.11Å; W489-N491 VanDerWaalsContact C-N 3.32Å; W489-N491 PolarHBondContact O-N 2.62Å; N491-T494 PolarHBondContact O-OG1 3.47Å
492W71.2Confident78.9Confident220 Ų220139.4 Ų139.483%0.83364%0.644SS**Hα-helixtrans-93.6-17176.1-132.265.6000112.6K488 W489 R490K488-W492 PolarHBondContact O-N 3.4Å; W489-W492 WeakPolarHBondContact O-CB 3.28Å; W489-W492 PolarHBondContact O-N 2.95Å; R490-W492 PolarHBondContact O-N 2.7Å
493E60.7Low78.2Confident172 Ų172139.3 Ų139.380%0.80464%0.643SS**Hα-helixtrans-91.3-10.4177.2-70.1-176158.400113.2W489 R490W489-E493 PolarHBondContact O-N 3.01Å; R490-E493 PolarHBondContact O-N 2.94Å
494T62.2Low77.3Confident164 Ų164139.4 Ų139.4100%1.00664%0.643SS**  trans-100.70168.251.20000110.7N491N491-T494 PolarHBondContact O-OG1 3.47Å

Retrieved 494 of 494 residues in 185.1 ms (Link to these results)

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