A0A087YME7_POEFO Loading...

Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 2

AlphaFold DB , UniProt , Accession A0A087YME7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 307 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
1M38.8Very low78Confident239 Ų23987.5 Ų87.5100%1.17746%0.457SS*.  0129.40-70.1158.26900106.4E3M1-E3 PolarHBondContact O-N 3.42Å
2T46.8Very low79.8Confident133 Ų13380.2 Ų80.282%0.81642%0.419SS*.  trans-69.8123.1173.743.50000108.6I4T2-I4 PolarHBondContact O-N 2.96Å
3E56.9Low81.2Confident193 Ų19374.3 Ų74.390%0.90239%0.389SS*.  trans-61.5126.9168.1-69.4-158.4139.900108.7M1 S5M1-E3 PolarHBondContact O-N 3.42Å; E3-S5 PolarHBondContact O-N 3.38Å
4I67.3Low82.5Confident145 Ų14569.9 Ų69.974%0.74437%0.367SS*.  trans-77.3108.8172.2-60.5174.7000105.8T2 K6T2-I4 PolarHBondContact O-N 2.96Å; I4-K6 PolarHBondContact O-N 2.93Å
5S81.9Confident83.5Confident86 Ų8666.9 Ų66.960%0.60136%0.36SS*.PPolyproline II helixtrans-55.4134.1173.2-173.50000109.5E3E3-S5 PolarHBondContact O-N 3.38Å
6K88.6Confident84.4Confident97 Ų9764 Ų6442%0.42235%0.346SS..PPolyproline II helixtrans-93.2129.3-176.2-65.5-180-178.7174.40110.2I4 H8 G39 R40 I42I4-K6 PolarHBondContact O-N 2.93Å; K6-H8 PolarHBondContact O-CE1 3.46Å; K6-H8 PolarHBondContact O-N 2.96Å; K6-H8 PolarHBondContact O-ND1 2.88Å; K6-G39 VanDerWaalsContact CE-O 3.25Å; K6-G39 WeakPolarHBondContact CE-O 3.42Å; K6-R40 WeakPolarHBondContact CA-O 3.26Å; K6-I42 HydrophobicContact CB-CD1 4Å; K6-I42 HydrophobicContact CB-CG1 3.91Å; K6-I42 HydrophobicContact CD-CD1 3.92Å; K6-I42 HydrophobicContact CD-CG1 3.83Å
7T92.1Very high85.2Confident19 Ų1960.5 Ų60.512%0.11733%0.327CS..EExtended strand (participates in β ladder)trans-68.7122.5175.4-49.70000109.8V9 R40 F41 I42 E192 R194T7-V9 HydrophobicContact CG2-CG2 4.39Å; T7-R40 PolarHBondContact N-O 3.15Å; T7-F41 HydrophobicContact CG2-CD1 4.21Å; T7-F41 HydrophobicContact CG2-CE1 4.22Å; T7-F41 CarbonylContact O-C 3.52Å; T7-F41 VanDerWaalsContact O-CA 3.26Å; T7-F41 WeakPolarHBondContact O-CA 3.32Å; T7-I42 PolarHBondContact O-N 3.14Å; T7-E192 WeakPolarHBondContact CB-OE2 3.44Å; T7-E192 HydrophobicContact CG2-CB 4.48Å; T7-E192 VanDerWaalsContact CG2-CD 3.45Å; T7-E192 HydrophobicContact CG2-CG 4.05Å; T7-E192 WeakPolarHBondContact CG2-OE2 3.47Å; T7-E192 PolarHBondContact OG1-OE2 3.41Å; T7-R194 HydrophobicContact CG2-CB 4.41Å; T7-R194 HydrophobicContact CG2-CG 4.1Å
8H93.4Very high85.9Confident24 Ų2457.3 Ų57.311%0.11131%0.31CS..EExtended strand (participates in β ladder)trans-82.8138.8175.9-67.356.1000109.5K6 I42 I44 I191 E192 L193 R194K6-H8 PolarHBondContact O-CE1 3.46Å; K6-H8 PolarHBondContact O-N 2.96Å; K6-H8 PolarHBondContact O-ND1 2.88Å; H8-I42 CarbonylContact C-O 3.59Å; H8-I42 WeakPolarHBondContact CA-O 3.33Å; H8-I44 HydrophobicContact CB-CD1 4.44Å; H8-I191 HydrophobicContact CB-CG2 3.96Å; H8-E192 PolarHBondContact N-O 2.94Å; H8-L193 HydrophobicContact CB-CD1 4.13Å; H8-L193 WeakPolarHBondContact O-CA 3.42Å; H8-R194 PolarHBondContact O-N 2.93Å
9V96.1Very high86.6Confident0 Ų054.3 Ų54.30%029%0.293CS..EExtended strand (participates in β ladder)trans-132.8135.1-169172.90000111.7T7 L11 L35 F41 I42 V43 I44 R194 L196T7-V9 HydrophobicContact CG2-CG2 4.39Å; V9-L11 HydrophobicContact CG1-CD2 3.81Å; V9-L11 HydrophobicContact CG1-CG 4.33Å; V9-L35 HydrophobicContact CG1-CD1 4.37Å; V9-F41 HydrophobicContact CG2-CB 4.36Å; V9-F41 HydrophobicContact CG2-CD1 3.57Å; V9-F41 HydrophobicContact CG2-CE1 4.23Å; V9-F41 HydrophobicContact CG2-CG 4.28Å; V9-I42 PolarHBondContact N-O 3.33Å; V9-V43 HydrophobicContact CB-CG2 4.34Å; V9-V43 HydrophobicContact CG1-CG2 4.4Å; V9-V43 CarbonylContact O-C 3.57Å; V9-V43 VanDerWaalsContact O-CA 3.3Å; V9-V43 WeakPolarHBondContact O-CA 3.35Å; V9-I44 PolarHBondContact O-N 3Å; V9-R194 CarbonylContact C-O 3.59Å; V9-R194 WeakPolarHBondContact CA-O 3.37Å; V9-L196 HydrophobicContact CG1-CB 4.34Å; V9-L196 HydrophobicContact CG1-CD1 3.82Å; V9-L196 HydrophobicContact CG1-CG 3.8Å; V9-L196 HydrophobicContact CG2-CD1 4.22Å; V9-L196 HydrophobicContact CG2-CG 4.48Å
10I97.9Very high87.2Confident26 Ų2651.7 Ų51.713%0.13328%0.279CS..EExtended strand (participates in β ladder)trans-105.6131.3159.7-74.4169000108.9I44 G45 I47 M106 R194 I195 L196I10-I44 HydrophobicContact CD1-CD1 4.42Å; I10-I44 HydrophobicContact CD1-CG1 4.39Å; I10-I44 HydrophobicContact CG1-CD1 4.38Å; I10-I44 HydrophobicContact CG1-CG1 3.86Å; I10-G45 WeakPolarHBondContact CA-O 3.47Å; I10-I47 HydrophobicContact CG2-CD1 3.72Å; I10-I47 HydrophobicContact CG2-CG1 3.9Å; I10-M106 HydrophobicContact CB-SD 4.42Å; I10-M106 HydrophobicContact CD1-CG 4.47Å; I10-M106 HydrophobicContact CD1-SD 3.64Å; I10-M106 HydrophobicContact CG1-SD 4.47Å; I10-R194 PolarHBondContact N-O 3.03Å; I10-I195 HydrophobicContact CB-CG1 4.21Å; I10-I195 HydrophobicContact CG2-CG1 4.32Å; I10-I195 VanDerWaalsContact O-CA 3.31Å; I10-I195 WeakPolarHBondContact O-CA 3.4Å; I10-L196 PolarHBondContact O-N 3.17Å
11L98.8Very high87.7Confident0 Ų049.4 Ų49.40%027%0.267CS..EExtended strand (participates in β ladder)trans-92.7118.1176.2-63.9179.9000109.3V9 F28 A31 L35 V43 G45 G46 I47 W79 L196 L198 V228V9-L11 HydrophobicContact CG1-CD2 3.81Å; V9-L11 HydrophobicContact CG1-CG 4.33Å; L11-F28 HydrophobicContact CB-CD1 4.28Å; L11-F28 HydrophobicContact CB-CE1 4.18Å; L11-A31 HydrophobicContact CD1-CB 3.69Å; L11-L35 HydrophobicContact CD1-CD1 4.45Å; L11-L35 HydrophobicContact CD2-CD1 3.81Å; L11-V43 HydrophobicContact CD1-CG1 4.01Å; L11-V43 HydrophobicContact CD1-CG2 4.29Å; L11-V43 HydrophobicContact CG-CG1 4.05Å; L11-V43 HydrophobicContact CG-CG2 4.42Å; L11-G45 PolarHBondContact N-O 3.28Å; L11-G46 CarbonylContact O-C 3.59Å; L11-G46 WeakPolarHBondContact O-CA 3.36Å; L11-I47 PolarHBondContact O-N 2.95Å; L11-W79 HydrophobicContact CD1-CH2 4.12Å; L11-W79 HydrophobicContact CD1-CZ3 4.22Å; L11-L196 HydrophobicContact CD2-CB 4.22Å; L11-L198 HydrophobicContact CB-CB 4.26Å; L11-L198 HydrophobicContact CB-CD2 4.3Å; L11-L198 HydrophobicContact CD1-CD2 4.35Å; L11-V228 HydrophobicContact CD2-CG2 3.87Å
12L98.9Very high90.5Very high0 Ų042 Ų420%023%0.228CC..EExtended strand (participates in β ladder)trans-106.2121.9175.9175.567.2000109.7I47 V98 L99 I195 L196 L197 L198L12-I47 CarbonylContact C-O 3.57Å; L12-I47 WeakPolarHBondContact CA-O 3.37Å; L12-I47 HydrophobicContact CD1-CB 3.69Å; L12-I47 HydrophobicContact CD1-CG2 3.51Å; L12-V98 HydrophobicContact CD2-CG1 4.2Å; L12-L99 HydrophobicContact CB-CD2 4.46Å; L12-L99 HydrophobicContact CD2-CD2 3.66Å; L12-L99 HydrophobicContact CD2-CG 3.91Å; L12-I195 HydrophobicContact CB-CG2 3.73Å; L12-I195 HydrophobicContact CD2-CG2 4.39Å; L12-L196 PolarHBondContact N-O 2.91Å; L12-L197 CarbonylContact O-C 3.56Å; L12-L197 WeakPolarHBondContact O-CA 3.46Å; L12-L198 PolarHBondContact O-N 2.85Å
13S98.8Very high92.8Very high4 Ų436.2 Ų36.23%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-113.4112172.1-159.20000110.5M27 F28 I47 S49 L198S13-M27 VanDerWaalsContact OG-CE 3.31Å; S13-M27 WeakPolarHBondContact OG-CE 3.46Å; S13-F28 VanDerWaalsContact CB-CZ 3.42Å; S13-I47 PolarHBondContact N-O 3.45Å; S13-S49 PolarHBondContact O-N 3.4Å; S13-L198 WeakPolarHBondContact CB-O 3.37Å; S13-L198 PolarHBondContact OG-O 3.1Å
14C98.6Very high94.8Very high13 Ų1328.4 Ų28.49%0.08816%0.159CC..EExtended strand (participates in β ladder)trans-92.3141.4173.9-57.20000109.5S49 T95C14-S49 WeakPolarHBondContact CA-O 3.44Å; C14-T95 HydrophobicContact CB-CG2 4.11Å
15G97.8Very high96.2Very high25 Ų2523.3 Ų23.326%0.25813%0.132SC..EExtended strand (participates in β ladder)trans173.6176179.500000115.3F17 S49 P50 V51G15-F17 WeakPolarHBondContact O-CD2 3.4Å; G15-F17 WeakPolarHBondContact O-CE2 3.36Å; G15-S49 PolarHBondContact N-O 2.89Å; G15-P50 WeakPolarHBondContact O-CA 3.39Å; G15-V51 PolarHBondContact O-N 3.12Å
16S98.3Very high96.9Very high20 Ų2020.6 Ų20.614%0.1411%0.11CC..  trans-68.2-41.4-179.3-48.30000112.9N18 K57 R66S16-N18 PolarHBondContact O-N 3.16Å; S16-K57 WeakPolarHBondContact OG-CD 3.49Å; S16-K57 PolarHBondContact OG-NZ 3.37Å; S16-R66 VanDerWaalsContact O-CD 3.31Å; S16-R66 WeakPolarHBondContact O-CD 3.41Å; S16-R66 PolarHBondContact O-NH1 3.27Å
17F98.4Very high97.3Very high4 Ų416.9 Ų16.92%0.01810%0.095CC..  trans4657.7-171.5-53.4-79.4000112.9G15 P19 I20 H24 I48 S49 P50 C70G15-F17 WeakPolarHBondContact O-CD2 3.4Å; G15-F17 WeakPolarHBondContact O-CE2 3.36Å; F17-P19 VanDerWaalsContact C-CA 3.48Å; F17-P19 CarbonylContact C-O 3.44Å; F17-P19 CarbonylContact O-C 3.56Å; F17-P19 VanDerWaalsContact O-C 3.28Å; F17-P19 VanDerWaalsContact O-CA 3.31Å; F17-P19 WeakPolarHBondContact O-CA 3.46Å; F17-I20 HydrophobicContact CB-CB 4.15Å; F17-I20 HydrophobicContact CD1-CB 4.24Å; F17-I20 HydrophobicContact CD1-CD1 4.05Å; F17-I20 HydrophobicContact CD1-CG1 4Å; F17-I20 PolarHBondContact O-N 3.48Å; F17-H24 HydrophobicContact CD1-CB 4.47Å; F17-H24 AromaticContact CD1-CD2 3.55Å; F17-H24 AromaticContact CD1-CG 4Å; F17-H24 AromaticContact CD1-NE2 3.94Å; F17-H24 HydrophobicContact CE1-CB 4.24Å; F17-H24 AromaticContact CE1-CD2 3.42Å; F17-H24 VanDerWaalsContact CE1-CD2 3.42Å; F17-H24 WeakPolarHBondContact CE1-CD2 3.32Å; F17-I48 HydrophobicContact CD1-CG2 4.33Å; F17-I48 HydrophobicContact CD2-CG2 4.02Å; F17-I48 HydrophobicContact CE1-CG2 4.04Å; F17-I48 HydrophobicContact CE2-CG2 3.72Å; F17-I48 HydrophobicContact CG-CG2 4.32Å; F17-I48 HydrophobicContact CZ-CG2 3.74Å; F17-S49 WeakPolarHBondContact CE2-O 3.44Å; F17-P50 HydrophobicContact CD2-CB 4.07Å; F17-P50 HydrophobicContact CD2-CG 4.19Å; F17-C70 VanDerWaalsContact CB-SG 3.53Å
18N97.9Very high97.6Very high4 Ų416 Ų162%0.0219%0.089CC..THydrogen-bonded Turntrans-12170.2-169.6-173.955000113.4S16 G59 L60 V61 S270 R274 Y302S16-N18 PolarHBondContact O-N 3.16Å; N18-G59 PolarHBondContact ND2-O 2.87Å; N18-L60 HydrophobicContact CB-CD1 3.95Å; N18-V61 WeakPolarHBondContact OD1-CG2 3.34Å; N18-V61 PolarHBondContact OD1-N 3.13Å; N18-V61 VanDerWaalsContact OD1-N 3.1Å; N18-S270 WeakPolarHBondContact O-CB 3.4Å; N18-R274 PolarHBondContact O-NH1 3.04Å; N18-Y302 VanDerWaalsContact C-OH 3.3Å; N18-Y302 WeakPolarHBondContact OD1-CE1 3.42Å; N18-Y302 PolarHBondContact OD1-OH 3.06Å
19P98.2Very high97.8Very high0 Ų018.4 Ų18.40%010%0.1CC..THydrogen-bonded Turncis-82172.9-6.235.3-37.2000112.3F17 M69 S270 L288 I296 Y302F17-P19 VanDerWaalsContact C-CA 3.48Å; F17-P19 CarbonylContact C-O 3.44Å; F17-P19 CarbonylContact O-C 3.56Å; F17-P19 VanDerWaalsContact O-C 3.28Å; F17-P19 VanDerWaalsContact O-CA 3.31Å; F17-P19 WeakPolarHBondContact O-CA 3.46Å; P19-M69 HydrophobicContact CB-CE 4.11Å; P19-M69 HydrophobicContact CB-SD 3.73Å; P19-S270 VanDerWaalsContact O-CB 3.32Å; P19-S270 WeakPolarHBondContact O-CB 3.43Å; P19-S270 PolarHBondContact O-OG 3.22Å; P19-L288 HydrophobicContact CG-CD1 4.23Å; P19-L288 HydrophobicContact CG-CD2 3.93Å; P19-I296 HydrophobicContact CB-CD1 3.94Å; P19-I296 HydrophobicContact CG-CD1 4.08Å; P19-Y302 HydrophobicContact CB-CE2 3.99Å; P19-Y302 HydrophobicContact CG-CE2 4.12Å
20I98.6Very high97.8Very high1 Ų120.5 Ų20.51%0.00511%0.11CC..  trans-60.7153.6160.7-170.3158.2000110F17 H24 I25 I48 M69 C70 A73 L288 V292F17-I20 HydrophobicContact CB-CB 4.15Å; F17-I20 HydrophobicContact CD1-CB 4.24Å; F17-I20 HydrophobicContact CD1-CD1 4.05Å; F17-I20 HydrophobicContact CD1-CG1 4Å; F17-I20 PolarHBondContact O-N 3.48Å; I20-H24 HydrophobicContact CG1-CB 4.03Å; I20-I25 HydrophobicContact CD1-CD1 3.94Å; I20-I48 HydrophobicContact CD1-CD1 3.73Å; I20-M69 HydrophobicContact CG2-CB 4.16Å; I20-M69 WeakPolarHBondContact CG2-O 3.33Å; I20-C70 HydrophobicContact CD1-CB 4.26Å; I20-A73 HydrophobicContact CD1-CB 3.96Å; I20-A73 HydrophobicContact CG1-CB 4.23Å; I20-A73 HydrophobicContact CG2-CB 3.62Å; I20-L288 WeakPolarHBondContact O-CD2 3.42Å; I20-V292 HydrophobicContact CG2-CG2 4.23Å
21T98Very high97.8Very high4 Ų419.3 Ų19.33%0.02510%0.103CC..  trans-138.4163.7-177.374.40000111.1G23 H24 I25 S273 Y287 L288T21-G23 PolarHBondContact O-N 3.25Å; T21-G23 PolarHBondContact OG1-N 3.09Å; T21-H24 PolarHBondContact N-ND1 3.46Å; T21-H24 VanDerWaalsContact N-ND1 3.1Å; T21-H24 WeakPolarHBondContact O-CB 3.43Å; T21-H24 PolarHBondContact O-N 2.93Å; T21-H24 PolarHBondContact OG1-CE1 3.4Å; T21-H24 PolarHBondContact OG1-ND1 3.2Å; T21-I25 PolarHBondContact O-N 3.33Å; T21-S273 VanDerWaalsContact CG2-OG 3.25Å; T21-S273 WeakPolarHBondContact CG2-OG 3.34Å; T21-Y287 WeakPolarHBondContact CA-O 3.44Å; T21-Y287 WeakPolarHBondContact CB-O 3.39Å; T21-L288 HydrophobicContact CG2-CD2 3.88Å
22K97.1Very high97.8Very high83 Ų8322.2 Ų22.236%0.36111%0.114SC..Hα-helixtrans-53.2-32.1169.8-72.5174.4165.5174.60112.7H24 I25 H26 M265 V285 D286 Y287 L288K22-H24 VanDerWaalsContact C-N 3.34Å; K22-H24 PolarHBondContact O-N 3.49Å; K22-I25 PolarHBondContact O-N 3.3Å; K22-H26 VanDerWaalsContact O-CB 3.26Å; K22-H26 WeakPolarHBondContact O-CB 3.44Å; K22-H26 PolarHBondContact O-N 3Å; K22-M265 HydrophobicContact CB-SD 3.66Å; K22-V285 PolarHBondContact NZ-O 3.06Å; K22-D286 WeakPolarHBondContact CD-O 3.33Å; K22-Y287 WeakPolarHBondContact CB-O 3.41Å; K22-Y287 PolarHBondContact N-O 3.48Å; K22-L288 WeakPolarHBondContact CE-O 3.47Å
23G96Very high97.6Very high12 Ų1226.9 Ų26.912%0.12414%0.136CC..Hα-helixtrans-60.8-36.7173.300000113.9T21 M27T21-G23 PolarHBondContact O-N 3.25Å; T21-G23 PolarHBondContact OG1-N 3.09Å; G23-M27 PolarHBondContact O-N 2.93Å; G23-M27 VanDerWaalsContact O-N 3.08Å
24H97.8Very high97.6Very high30 Ų3028.7 Ų28.714%0.13914%0.143CC..Hα-helixtrans-69.5-44.2175.7-6084.5000111.2F17 I20 T21 K22 M27 F28 S270F17-H24 HydrophobicContact CD1-CB 4.47Å; F17-H24 AromaticContact CD1-CD2 3.55Å; F17-H24 AromaticContact CD1-CG 4Å; F17-H24 AromaticContact CD1-NE2 3.94Å; F17-H24 HydrophobicContact CE1-CB 4.24Å; F17-H24 AromaticContact CE1-CD2 3.42Å; F17-H24 VanDerWaalsContact CE1-CD2 3.42Å; F17-H24 WeakPolarHBondContact CE1-CD2 3.32Å; I20-H24 HydrophobicContact CG1-CB 4.03Å; T21-H24 PolarHBondContact N-ND1 3.46Å; T21-H24 VanDerWaalsContact N-ND1 3.1Å; T21-H24 WeakPolarHBondContact O-CB 3.43Å; T21-H24 PolarHBondContact O-N 2.93Å; T21-H24 PolarHBondContact OG1-CE1 3.4Å; T21-H24 PolarHBondContact OG1-ND1 3.2Å; K22-H24 VanDerWaalsContact C-N 3.34Å; K22-H24 PolarHBondContact O-N 3.49Å; H24-M27 WeakPolarHBondContact O-CB 3.33Å; H24-M27 PolarHBondContact O-N 2.95Å; H24-F28 WeakPolarHBondContact O-CD2 3.5Å; H24-F28 PolarHBondContact O-N 3.44Å; H24-S270 PolarHBondContact CE1-OG 2.95Å
25I98Very high97.5Very high37 Ų3728.1 Ų28.119%0.1914%0.139CC..Hα-helixtrans-63.8-43.5177.3-53.3-51.7000110.6I20 T21 K22 M27 F28 E29 I48 A73 V74 I80I20-I25 HydrophobicContact CD1-CD1 3.94Å; T21-I25 PolarHBondContact O-N 3.33Å; K22-I25 PolarHBondContact O-N 3.3Å; I25-M27 VanDerWaalsContact C-N 3.27Å; I25-M27 PolarHBondContact O-N 3.46Å; I25-F28 WeakPolarHBondContact O-CB 3.09Å; I25-F28 PolarHBondContact O-N 3.22Å; I25-F28 VanDerWaalsContact O-N 3.1Å; I25-E29 PolarHBondContact O-N 3.48Å; I25-E29 VanDerWaalsContact O-N 3.14Å; I25-I48 HydrophobicContact CD1-CD1 4.32Å; I25-A73 HydrophobicContact CD1-CB 4.35Å; I25-V74 HydrophobicContact CD1-CG1 3.72Å; I25-I80 HydrophobicContact CG2-CD1 4.46Å
26H96.1Very high97.4Very high29 Ų2930.5 Ų30.513%0.13414%0.143CC..Hα-helixtrans-59.2-35.6175.7-179.174.4000113.4K22 F28 E29 K30 H263 M265K22-H26 VanDerWaalsContact O-CB 3.26Å; K22-H26 WeakPolarHBondContact O-CB 3.44Å; K22-H26 PolarHBondContact O-N 3Å; H26-F28 VanDerWaalsContact C-N 3.35Å; H26-E29 PolarHBondContact O-N 2.96Å; H26-K30 VanDerWaalsContact CE1-CG 3.44Å; H26-K30 WeakPolarHBondContact CE1-CG 3.23Å; H26-K30 WeakPolarHBondContact NE2-CG 3.41Å; H26-K30 WeakPolarHBondContact O-CB 3.15Å; H26-K30 PolarHBondContact O-N 2.95Å; H26-H263 AromaticContact CD2-ND1 3.75Å; H26-H263 AromaticContact CE1-CD2 3.85Å; H26-H263 AromaticContact CE1-CE1 3.16Å; H26-H263 PolarHBondContact CE1-CE1 3.45Å; H26-H263 AromaticContact CE1-CG 3.45Å; H26-H263 VanDerWaalsContact CE1-CG 3.45Å; H26-H263 AromaticContact CE1-ND1 2.99Å; H26-H263 PolarHBondContact CE1-ND1 2.97Å; H26-H263 AromaticContact CE1-NE2 3.68Å; H26-H263 AromaticContact ND1-CE1 3.55Å; H26-H263 AromaticContact ND1-ND1 3.64Å; H26-H263 AromaticContact NE2-CE1 3.7Å; H26-H263 AromaticContact NE2-CG 3.39Å; H26-H263 AromaticContact NE2-ND1 3.01Å; H26-H263 PolarHBondContact NE2-ND1 3.38Å; H26-M265 HydrophobicContact CB-CB 3.78Å; H26-M265 HydrophobicContact CB-CG 4.06Å
27M96.6Very high97.2Very high20 Ų2036 Ų3610%0.09917%0.165CC..Hα-helixtrans-61.8-40.3174.7177173.67200112S13 G23 H24 I25 A31 L198 V230S13-M27 VanDerWaalsContact OG-CE 3.31Å; S13-M27 WeakPolarHBondContact OG-CE 3.46Å; G23-M27 PolarHBondContact O-N 2.93Å; G23-M27 VanDerWaalsContact O-N 3.08Å; H24-M27 WeakPolarHBondContact O-CB 3.33Å; H24-M27 PolarHBondContact O-N 2.95Å; I25-M27 VanDerWaalsContact C-N 3.27Å; I25-M27 PolarHBondContact O-N 3.46Å; M27-A31 VanDerWaalsContact O-CB 3.3Å; M27-A31 WeakPolarHBondContact O-CB 3.43Å; M27-A31 PolarHBondContact O-N 2.95Å; M27-A31 VanDerWaalsContact O-N 3.1Å; M27-L198 HydrophobicContact CE-CD2 4.48Å; M27-L198 HydrophobicContact CE-CG 4.2Å; M27-L198 HydrophobicContact CG-CD1 3.83Å; M27-L198 HydrophobicContact CG-CD2 4.16Å; M27-L198 HydrophobicContact CG-CG 3.95Å; M27-L198 HydrophobicContact SD-CG 4.37Å; M27-V230 HydrophobicContact CG-CB 3.86Å; M27-V230 HydrophobicContact CG-CG1 4.49Å; M27-V230 HydrophobicContact CG-CG2 3.71Å
28F98.3Very high97Very high0 Ų038 Ų380%018%0.177CC..Hα-helixtrans-62.9-51.4172.6-83.2-89.2000111.7L11 S13 H24 I25 H26 K30 A31 R32 I47 I48 W79 I80 L198L11-F28 HydrophobicContact CB-CD1 4.28Å; L11-F28 HydrophobicContact CB-CE1 4.18Å; S13-F28 VanDerWaalsContact CB-CZ 3.42Å; H24-F28 WeakPolarHBondContact O-CD2 3.5Å; H24-F28 PolarHBondContact O-N 3.44Å; I25-F28 WeakPolarHBondContact O-CB 3.09Å; I25-F28 PolarHBondContact O-N 3.22Å; I25-F28 VanDerWaalsContact O-N 3.1Å; H26-F28 VanDerWaalsContact C-N 3.35Å; F28-K30 PolarHBondContact O-N 2.72Å; F28-A31 PolarHBondContact O-N 3.06Å; F28-R32 WeakPolarHBondContact O-CB 3.4Å; F28-R32 PolarHBondContact O-N 3.08Å; F28-I47 WeakPolarHBondContact CZ-O 3.37Å; F28-I48 HydrophobicContact CE2-CD1 4.18Å; F28-I48 HydrophobicContact CE2-CG1 3.57Å; F28-I48 HydrophobicContact CZ-CG1 3.67Å; F28-W79 HydrophobicContact CB-CH2 3.7Å; F28-W79 HydrophobicContact CB-CZ2 3.74Å; F28-W79 AromaticContact CD1-CH2 3.84Å; F28-W79 HydrophobicContact CD1-CH2 3.84Å; F28-W79 HydrophobicContact CD1-CZ3 4.21Å; F28-W79 HydrophobicContact CG-CH2 4.27Å; F28-W79 WeakPolarHBondContact O-CH2 3.44Å; F28-I80 HydrophobicContact CB-CD1 3.55Å; F28-I80 HydrophobicContact CB-CG1 4.34Å; F28-I80 HydrophobicContact CD1-CD1 4.32Å; F28-I80 HydrophobicContact CD1-CG1 4.32Å; F28-I80 HydrophobicContact CD1-CG2 4.43Å; F28-I80 HydrophobicContact CD2-CD1 4.43Å; F28-I80 HydrophobicContact CE1-CG2 4.41Å; F28-I80 HydrophobicContact CG-CD1 3.88Å; F28-I80 HydrophobicContact CG-CG1 4.37Å; F28-L198 HydrophobicContact CB-CD2 4.17Å; F28-L198 HydrophobicContact CD1-CD2 3.46Å; F28-L198 VanDerWaalsContact CD1-CD2 3.46Å; F28-L198 HydrophobicContact CD2-CD2 3.82Å; F28-L198 HydrophobicContact CE1-CD2 3.69Å; F28-L198 HydrophobicContact CE2-CD2 4.01Å; F28-L198 HydrophobicContact CG-CD2 3.53Å; F28-L198 HydrophobicContact CZ-CD2 3.96Å
29E97.3Very high96.7Very high74 Ų7439.7 Ų39.735%0.34620%0.195SC..Hα-helixtrans-60.9-43.6-178.1-61-54.1153.700112.3I25 H26 A31 R32 E33 W79I25-E29 PolarHBondContact O-N 3.48Å; I25-E29 VanDerWaalsContact O-N 3.14Å; H26-E29 PolarHBondContact O-N 2.96Å; E29-A31 PolarHBondContact O-N 3.2Å; E29-R32 PolarHBondContact O-N 3.26Å; E29-E33 WeakPolarHBondContact O-CB 3.44Å; E29-E33 PolarHBondContact O-N 2.83Å; E29-W79 PolarHBondContact OE1-NE1 2.87Å; E29-W79 PolarHBondContact OE2-NE1 2.88Å
30K96.6Very high96.4Very high45 Ų4545.9 Ų45.920%0.19622%0.219CC..Hα-helixtrans-68.2-35.2178.2-76-69.9160.5-161.20113.3H26 F28 E33 Y34 V257H26-K30 VanDerWaalsContact CE1-CG 3.44Å; H26-K30 WeakPolarHBondContact CE1-CG 3.23Å; H26-K30 WeakPolarHBondContact NE2-CG 3.41Å; H26-K30 WeakPolarHBondContact O-CB 3.15Å; H26-K30 PolarHBondContact O-N 2.95Å; F28-K30 PolarHBondContact O-N 2.72Å; K30-E33 WeakPolarHBondContact CE-OE2 3.26Å; K30-E33 IonicContact NZ-OE1 2.81Å; K30-E33 IonicContact NZ-OE2 3.1Å; K30-E33 PolarHBondContact NZ-OE2 2.99Å; K30-Y34 WeakPolarHBondContact O-CB 3.48Å; K30-Y34 PolarHBondContact O-N 3.36Å; K30-V257 HydrophobicContact CB-CG1 4.48Å
31A97.8Very high96.2Very high0 Ų046.6 Ų46.60%022%0.222CC..Hα-helixtrans-65.7-43.6172.600000111.9L11 M27 F28 E29 L35 L198 V228 V230L11-A31 HydrophobicContact CD1-CB 3.69Å; M27-A31 VanDerWaalsContact O-CB 3.3Å; M27-A31 WeakPolarHBondContact O-CB 3.43Å; M27-A31 PolarHBondContact O-N 2.95Å; M27-A31 VanDerWaalsContact O-N 3.1Å; F28-A31 PolarHBondContact O-N 3.06Å; E29-A31 PolarHBondContact O-N 3.2Å; A31-L35 WeakPolarHBondContact O-CB 3.3Å; A31-L35 VanDerWaalsContact O-CG 3.26Å; A31-L35 WeakPolarHBondContact O-CG 3.39Å; A31-L35 PolarHBondContact O-N 3.27Å; A31-L198 HydrophobicContact CB-CD1 3.45Å; A31-L198 VanDerWaalsContact CB-CD1 3.45Å; A31-L198 HydrophobicContact CB-CD2 4.35Å; A31-V228 HydrophobicContact CB-CG1 3.78Å; A31-V230 HydrophobicContact CB-CG2 4.2Å
32R98Very high96.1Very high62 Ų6249.1 Ų49.123%0.23423%0.234CC..Hα-helixtrans-60.4-53.7176.2179.8169.2-168.3-151.54111.9F28 E29 Y34 L35 H36 V43 W79F28-R32 WeakPolarHBondContact O-CB 3.4Å; F28-R32 PolarHBondContact O-N 3.08Å; E29-R32 PolarHBondContact O-N 3.26Å; R32-Y34 VanDerWaalsContact C-N 3.35Å; R32-Y34 PolarHBondContact O-N 2.99Å; R32-L35 PolarHBondContact O-N 3.04Å; R32-H36 WeakPolarHBondContact O-CB 3.31Å; R32-H36 PolarHBondContact O-N 3.16Å; R32-V43 HydrophobicContact CB-CG1 4.41Å; R32-V43 HydrophobicContact CG-CB 4.07Å; R32-V43 HydrophobicContact CG-CG1 4.21Å; R32-W79 HydrophobicContact CB-CH2 3.68Å; R32-W79 HydrophobicContact CB-CZ2 3.85Å; R32-W79 HydrophobicContact CB-CZ3 4.33Å; R32-W79 VanDerWaalsContact CD-CE2 3.45Å; R32-W79 HydrophobicContact CG-CH2 4.29Å; R32-W79 HydrophobicContact CG-CZ2 4.33Å
33E96.4Very high96.1Very high98 Ų9845.3 Ų45.346%0.45822%0.218SC..Hα-helixtrans-54-49.6177.4-176.8-170.1165.800111.5E29 K30 K37E29-E33 WeakPolarHBondContact O-CB 3.44Å; E29-E33 PolarHBondContact O-N 2.83Å; K30-E33 WeakPolarHBondContact CE-OE2 3.26Å; K30-E33 IonicContact NZ-OE1 2.81Å; K30-E33 IonicContact NZ-OE2 3.1Å; K30-E33 PolarHBondContact NZ-OE2 2.99Å; E33-K37 VanDerWaalsContact O-CB 3.23Å; E33-K37 WeakPolarHBondContact O-CB 3.34Å; E33-K37 PolarHBondContact O-N 3.34Å
34Y96.9Very high96.1Very high42 Ų4248.7 Ų48.717%0.16523%0.233CC..Hα-helixtrans-66.3-44.9-177.8-172.5-96.2000112.5K30 R32 K37 T38 V255 V256 V257 K258K30-Y34 WeakPolarHBondContact O-CB 3.48Å; K30-Y34 PolarHBondContact O-N 3.36Å; R32-Y34 VanDerWaalsContact C-N 3.35Å; R32-Y34 PolarHBondContact O-N 2.99Å; Y34-K37 WeakPolarHBondContact O-CB 3.18Å; Y34-K37 PolarHBondContact O-N 3.03Å; Y34-T38 HydrophobicContact CD1-CG2 4.48Å; Y34-T38 HydrophobicContact CE1-CG2 4.36Å; Y34-T38 WeakPolarHBondContact O-CG2 3.34Å; Y34-T38 PolarHBondContact O-N 2.9Å; Y34-T38 VanDerWaalsContact O-N 3.13Å; Y34-V255 HydrophobicContact CD1-CG1 4.03Å; Y34-V255 HydrophobicContact CE1-CG1 3.76Å; Y34-V256 WeakPolarHBondContact CE1-O 3.46Å; Y34-V256 PolarHBondContact OH-O 3.49Å; Y34-V257 HydrophobicContact CD1-CB 4.39Å; Y34-V257 HydrophobicContact CD1-CG2 3.89Å; Y34-V257 HydrophobicContact CD2-CG1 3.96Å; Y34-V257 HydrophobicContact CG-CB 4.19Å; Y34-V257 HydrophobicContact CG-CG1 3.84Å; Y34-V257 HydrophobicContact CG-CG2 3.96Å; Y34-K258 HydrophobicContact CE2-CB 4.44Å
35L96.5Very high96.1Very high0 Ų047.8 Ų47.80%023%0.231CC..Hα-helixtrans-62.1-45.7178.4-75.7176.7000111.8V9 L11 A31 R32 K37 T38 F41 V43 L196 V228 V255V9-L35 HydrophobicContact CG1-CD1 4.37Å; L11-L35 HydrophobicContact CD1-CD1 4.45Å; L11-L35 HydrophobicContact CD2-CD1 3.81Å; A31-L35 WeakPolarHBondContact O-CB 3.3Å; A31-L35 VanDerWaalsContact O-CG 3.26Å; A31-L35 WeakPolarHBondContact O-CG 3.39Å; A31-L35 PolarHBondContact O-N 3.27Å; R32-L35 PolarHBondContact O-N 3.04Å; L35-K37 PolarHBondContact O-N 3.32Å; L35-T38 PolarHBondContact O-N 3.28Å; L35-T38 PolarHBondContact O-OG1 3.23Å; L35-F41 HydrophobicContact CB-CB 4.06Å; L35-F41 HydrophobicContact CB-CD2 4.37Å; L35-F41 HydrophobicContact CD2-CB 4.46Å; L35-F41 HydrophobicContact CD2-CD2 3.45Å; L35-F41 VanDerWaalsContact CD2-CD2 3.45Å; L35-F41 HydrophobicContact CD2-CE2 3.79Å; L35-F41 HydrophobicContact CD2-CG 4.04Å; L35-F41 HydrophobicContact CG-CD2 4.46Å; L35-V43 HydrophobicContact CB-CG2 3.9Å; L35-V43 HydrophobicContact CD1-CG2 3.47Å; L35-V43 VanDerWaalsContact CD1-CG2 3.47Å; L35-V43 HydrophobicContact CG-CG2 4.36Å; L35-L196 HydrophobicContact CD1-CD1 4.41Å; L35-V228 HydrophobicContact CD1-CG2 4Å; L35-V228 HydrophobicContact CD2-CG2 4.36Å; L35-V255 HydrophobicContact CD2-CG1 4Å; L35-V255 HydrophobicContact CD2-CG2 4.46Å
36H95.8Very high96.1Very high76 Ų7646.1 Ų46.135%0.35222%0.223SC..Hα-helixtrans-60.5-43.8174.6-71173.2000111.5R32 T38 G39 V43R32-H36 WeakPolarHBondContact O-CB 3.31Å; R32-H36 PolarHBondContact O-N 3.16Å; H36-T38 PolarHBondContact O-N 3.12Å; H36-G39 PolarHBondContact O-N 2.91Å; H36-V43 PolarHBondContact CD2-N 2.88Å; H36-V43 PolarHBondContact NE2-N 3.38Å; H36-V43 PolarHBondContact NE2-O 3.41Å
37K95Very high96.2Very high136 Ų13646.1 Ų46.159%0.59122%0.224SC*.Hα-helixtrans-59.5-25.7176.6-179.2-180175.2-178.70113.4E33 Y34 L35 G39 D259E33-K37 VanDerWaalsContact O-CB 3.23Å; E33-K37 WeakPolarHBondContact O-CB 3.34Å; E33-K37 PolarHBondContact O-N 3.34Å; Y34-K37 WeakPolarHBondContact O-CB 3.18Å; Y34-K37 PolarHBondContact O-N 3.03Å; L35-K37 PolarHBondContact O-N 3.32Å; K37-G39 PolarHBondContact O-N 3.49Å; K37-D259 IonicContact NZ-OD2 3.65Å; K37-D259 PolarHBondContact NZ-OD2 3.01Å
38T93.4Very high96.3Very high46 Ų4645.2 Ų45.228%0.28222%0.219SC..THydrogen-bonded Turntrans-69.3-15.5172.974.50000114Y34 L35 H36 R40Y34-T38 HydrophobicContact CD1-CG2 4.48Å; Y34-T38 HydrophobicContact CE1-CG2 4.36Å; Y34-T38 WeakPolarHBondContact O-CG2 3.34Å; Y34-T38 PolarHBondContact O-N 2.9Å; Y34-T38 VanDerWaalsContact O-N 3.13Å; L35-T38 PolarHBondContact O-N 3.28Å; L35-T38 PolarHBondContact O-OG1 3.23Å; H36-T38 PolarHBondContact O-N 3.12Å; T38-R40 PolarHBondContact O-N 3.28Å; T38-R40 PolarHBondContact OG1-N 3.08Å
39G92.4Very high96.4Very high39 Ų3945.2 Ų45.240%0.40222%0.219SC..SBendtrans72.2-13.3-174.200000115.5K6 H36 K37K6-G39 VanDerWaalsContact CE-O 3.25Å; K6-G39 WeakPolarHBondContact CE-O 3.42Å; H36-G39 PolarHBondContact O-N 2.91Å; K37-G39 PolarHBondContact O-N 3.49Å
40R91.9Very high96.4Very high130 Ų13041.7 Ų41.749%0.49120%0.203SC..SBendtrans-84.3-27.1-176.7-62.1-175.6-66144.6-5.8114.2K6 T7 T38K6-R40 WeakPolarHBondContact CA-O 3.26Å; T7-R40 PolarHBondContact N-O 3.15Å; T38-R40 PolarHBondContact O-N 3.28Å; T38-R40 PolarHBondContact OG1-N 3.08Å
41F95Very high96.5Very high16 Ų1640 Ų407%0.0720%0.196CC..EExtended strand (participates in β ladder)trans-121145.7-168.7-61.5-72.1000112.8T7 V9 L35T7-F41 HydrophobicContact CG2-CD1 4.21Å; T7-F41 HydrophobicContact CG2-CE1 4.22Å; T7-F41 CarbonylContact O-C 3.52Å; T7-F41 VanDerWaalsContact O-CA 3.26Å; T7-F41 WeakPolarHBondContact O-CA 3.32Å; V9-F41 HydrophobicContact CG2-CB 4.36Å; V9-F41 HydrophobicContact CG2-CD1 3.57Å; V9-F41 HydrophobicContact CG2-CE1 4.23Å; V9-F41 HydrophobicContact CG2-CG 4.28Å; L35-F41 HydrophobicContact CB-CB 4.06Å; L35-F41 HydrophobicContact CB-CD2 4.37Å; L35-F41 HydrophobicContact CD2-CB 4.46Å; L35-F41 HydrophobicContact CD2-CD2 3.45Å; L35-F41 VanDerWaalsContact CD2-CD2 3.45Å; L35-F41 HydrophobicContact CD2-CE2 3.79Å; L35-F41 HydrophobicContact CD2-CG 4.04Å; L35-F41 HydrophobicContact CG-CD2 4.46Å
42I95.3Very high96.6Very high56 Ų5641 Ų4129%0.28720%0.201SC..EExtended strand (participates in β ladder)trans-117.1101.8165-57.7177.5000107.9K6 T7 H8 V9 I44K6-I42 HydrophobicContact CB-CD1 4Å; K6-I42 HydrophobicContact CB-CG1 3.91Å; K6-I42 HydrophobicContact CD-CD1 3.92Å; K6-I42 HydrophobicContact CD-CG1 3.83Å; T7-I42 PolarHBondContact O-N 3.14Å; H8-I42 CarbonylContact C-O 3.59Å; H8-I42 WeakPolarHBondContact CA-O 3.33Å; V9-I42 PolarHBondContact N-O 3.33Å; I42-I44 HydrophobicContact CG2-CG2 3.83Å; I42-I44 PolarHBondContact O-N 3.27Å
43V96.9Very high96.5Very high3 Ų340.6 Ų40.62%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-70.2118.4168.81800000109.5V9 L11 R32 L35 H36 W79V9-V43 HydrophobicContact CB-CG2 4.34Å; V9-V43 HydrophobicContact CG1-CG2 4.4Å; V9-V43 CarbonylContact O-C 3.57Å; V9-V43 VanDerWaalsContact O-CA 3.3Å; V9-V43 WeakPolarHBondContact O-CA 3.35Å; L11-V43 HydrophobicContact CD1-CG1 4.01Å; L11-V43 HydrophobicContact CD1-CG2 4.29Å; L11-V43 HydrophobicContact CG-CG1 4.05Å; L11-V43 HydrophobicContact CG-CG2 4.42Å; R32-V43 HydrophobicContact CB-CG1 4.41Å; R32-V43 HydrophobicContact CG-CB 4.07Å; R32-V43 HydrophobicContact CG-CG1 4.21Å; L35-V43 HydrophobicContact CB-CG2 3.9Å; L35-V43 HydrophobicContact CD1-CG2 3.47Å; L35-V43 VanDerWaalsContact CD1-CG2 3.47Å; L35-V43 HydrophobicContact CG-CG2 4.36Å; H36-V43 PolarHBondContact CD2-N 2.88Å; H36-V43 PolarHBondContact NE2-N 3.38Å; H36-V43 PolarHBondContact NE2-O 3.41Å; V43-W79 HydrophobicContact CG1-CE3 4.05Å; V43-W79 HydrophobicContact CG1-CH2 4.38Å; V43-W79 HydrophobicContact CG1-CZ3 3.57Å
44I95.5Very high96.6Very high84 Ų8439.7 Ų39.743%0.43121%0.208SC..EExtended strand (participates in β ladder)trans-108.4-7.6-178.562.3169.3000113.8H8 V9 I10 I42 L193H8-I44 HydrophobicContact CB-CD1 4.44Å; V9-I44 PolarHBondContact O-N 3Å; I10-I44 HydrophobicContact CD1-CD1 4.42Å; I10-I44 HydrophobicContact CD1-CG1 4.39Å; I10-I44 HydrophobicContact CG1-CD1 4.38Å; I10-I44 HydrophobicContact CG1-CG1 3.86Å; I42-I44 HydrophobicContact CG2-CG2 3.83Å; I42-I44 PolarHBondContact O-N 3.27Å; I44-L193 HydrophobicContact CD1-CD1 3.72Å; I44-L193 HydrophobicContact CG1-CD1 4.39Å
45G97.6Very high96.5Very high11 Ų1142.6 Ų42.611%0.11322%0.219CC..EExtended strand (participates in β ladder)trans-171.9156.6178.100000113.8I10 L11 W79I10-G45 WeakPolarHBondContact CA-O 3.47Å; L11-G45 PolarHBondContact N-O 3.28Å; G45-W79 WeakPolarHBondContact CA-O 3.44Å
46G98.6Very high96Very high2 Ų245.6 Ų45.62%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-123.3136.3171.600000110.7L11 W79 I80 R81L11-G46 CarbonylContact O-C 3.59Å; L11-G46 WeakPolarHBondContact O-CA 3.36Å; G46-W79 PolarHBondContact N-O 2.62Å; G46-I80 CarbonylContact O-C 3.56Å; G46-I80 WeakPolarHBondContact O-CA 3.38Å; G46-R81 PolarHBondContact O-N 3.35Å
47I98.9Very high95.8Very high29 Ų2946.4 Ų46.415%0.14925%0.253CS..EExtended strand (participates in β ladder)trans-122.5124.5177.2-57.5176.4000108.9I10 L11 L12 S13 F28 R81 D83I10-I47 HydrophobicContact CG2-CD1 3.72Å; I10-I47 HydrophobicContact CG2-CG1 3.9Å; L11-I47 PolarHBondContact O-N 2.95Å; L12-I47 CarbonylContact C-O 3.57Å; L12-I47 WeakPolarHBondContact CA-O 3.37Å; L12-I47 HydrophobicContact CD1-CB 3.69Å; L12-I47 HydrophobicContact CD1-CG2 3.51Å; S13-I47 PolarHBondContact N-O 3.45Å; F28-I47 WeakPolarHBondContact CZ-O 3.37Å; I47-R81 WeakPolarHBondContact CA-O 3.5Å; I47-D83 HydrophobicContact CG2-CB 3.78Å
48I98.9Very high95.6Very high0 Ų045.8 Ų45.80%026%0.262CS..EExtended strand (participates in β ladder)trans-95.8119.1166.7-69166.8000107.5F17 I20 I25 F28 P50 C70 V74 I80 R81 V82 D83F17-I48 HydrophobicContact CD1-CG2 4.33Å; F17-I48 HydrophobicContact CD2-CG2 4.02Å; F17-I48 HydrophobicContact CE1-CG2 4.04Å; F17-I48 HydrophobicContact CE2-CG2 3.72Å; F17-I48 HydrophobicContact CG-CG2 4.32Å; F17-I48 HydrophobicContact CZ-CG2 3.74Å; I20-I48 HydrophobicContact CD1-CD1 3.73Å; I25-I48 HydrophobicContact CD1-CD1 4.32Å; F28-I48 HydrophobicContact CE2-CD1 4.18Å; F28-I48 HydrophobicContact CE2-CG1 3.57Å; F28-I48 HydrophobicContact CZ-CG1 3.67Å; I48-P50 HydrophobicContact CG2-CG 4.16Å; I48-P50 WeakPolarHBondContact O-CD 3.48Å; I48-C70 HydrophobicContact CG2-CB 4.16Å; I48-V74 HydrophobicContact CD1-CG1 3.64Å; I48-I80 HydrophobicContact CD1-CG2 3.82Å; I48-I80 HydrophobicContact CG1-CG2 4.09Å; I48-R81 PolarHBondContact N-O 2.79Å; I48-V82 HydrophobicContact CB-CG2 4.36Å; I48-V82 HydrophobicContact CG2-CG1 4.45Å; I48-V82 WeakPolarHBondContact O-CA 3.39Å; I48-D83 PolarHBondContact O-N 3.12Å
49S98.8Very high95.6Very high0 Ų046.4 Ų46.40%028%0.278CS..EExtended strand (participates in β ladder)trans-109.5101.9171.8-176.20000109.8S13 C14 G15 F17 E86S13-S49 PolarHBondContact O-N 3.4Å; C14-S49 WeakPolarHBondContact CA-O 3.44Å; G15-S49 PolarHBondContact N-O 2.89Å; F17-S49 WeakPolarHBondContact CE2-O 3.44Å; S49-E86 WeakPolarHBondContact OG-CB 3.49Å; S49-E86 PolarHBondContact OG-OE2 2.93Å
50P98.8Very high95.8Very high0 Ų046 Ų460%027%0.267CS..EExtended strand (participates in β ladder)trans-72.7138.3174.7-18.434.7000111.6G15 F17 I48 L67 C70 V82 C87G15-P50 WeakPolarHBondContact O-CA 3.39Å; F17-P50 HydrophobicContact CD2-CB 4.07Å; F17-P50 HydrophobicContact CD2-CG 4.19Å; I48-P50 HydrophobicContact CG2-CG 4.16Å; I48-P50 WeakPolarHBondContact O-CD 3.48Å; P50-L67 HydrophobicContact CG-CD2 3.86Å; P50-C70 HydrophobicContact CG-CB 4.46Å; P50-V82 HydrophobicContact CG-CG1 4.12Å; P50-C87 PolarHBondContact O-SG 3.39Å
51V98.6Very high96Very high9 Ų941 Ų416%0.05525%0.251CS..PPolyproline II helixtrans-62148.9-174.780.50000112.3G15 Y55 L60 R66 E86G15-V51 PolarHBondContact O-N 3.12Å; V51-Y55 HydrophobicContact CG1-CD1 3.92Å; V51-Y55 HydrophobicContact CG1-CG 4.19Å; V51-Y55 HydrophobicContact CG2-CD1 4.02Å; V51-Y55 HydrophobicContact CG2-CD2 4.03Å; V51-Y55 HydrophobicContact CG2-CG 3.64Å; V51-L60 HydrophobicContact CG1-CD1 4.45Å; V51-L60 HydrophobicContact CG1-CD2 4.13Å; V51-R66 VanDerWaalsContact O-CZ 3.26Å; V51-R66 PolarHBondContact O-NH1 3.13Å; V51-R66 PolarHBondContact O-NH2 3.44Å; V51-E86 VanDerWaalsContact CA-OE1 3.29Å; V51-E86 WeakPolarHBondContact CA-OE1 3.29Å; V51-E86 VanDerWaalsContact CG2-OE1 3.31Å; V51-E86 WeakPolarHBondContact CG2-OE1 3.13Å
52H98.5Very high96.2Very high22 Ų2242.7 Ų42.710%0.10226%0.264CS..PPolyproline II helixtrans-61.5151.4171.8-170.5-110.7000112.9S54 Y55 Q89 W92H52-S54 VanDerWaalsContact C-N 3.33Å; H52-S54 PolarHBondContact CE1-OG 3.39Å; H52-S54 WeakPolarHBondContact ND1-CB 3.44Å; H52-S54 PolarHBondContact ND1-N 3.27Å; H52-S54 PolarHBondContact ND1-OG 2.79Å; H52-S54 PolarHBondContact O-N 3Å; H52-Y55 WeakPolarHBondContact O-CB 3.29Å; H52-Y55 PolarHBondContact O-N 2.94Å; H52-Y55 VanDerWaalsContact O-N 3.11Å; H52-Q89 PolarHBondContact CD2-O 2.98Å; H52-Q89 PolarHBondContact NE2-O 3.46Å; H52-Q89 VanDerWaalsContact NE2-O 3.13Å; H52-W92 HydrophobicContact CB-CB 4.35Å; H52-W92 PolarHBondContact ND1-N 2.89Å
53D97.6Very high96.3Very high54 Ų5440.9 Ų40.929%0.28926%0.256SS..G310 helixtrans-65.3-32.6-177.6-81.4-14.3000113.1Y55 G56 S62 S63 R66D53-Y55 PolarHBondContact O-N 3Å; D53-G56 PolarHBondContact O-N 3.28Å; D53-S62 WeakPolarHBondContact OD1-CA 3.5Å; D53-S62 VanDerWaalsContact OD2-CA 3.26Å; D53-S62 WeakPolarHBondContact OD2-CA 3.38Å; D53-S62 WeakPolarHBondContact OD2-CB 3.17Å; D53-S62 PolarHBondContact OD2-OG 2.81Å; D53-S63 PolarHBondContact OD1-N 3.37Å; D53-S63 PolarHBondContact OD2-N 2.87Å; D53-S63 PolarHBondContact OD2-OG 3.19Å; D53-R66 IonicContact OD1-CZ 2.66Å; D53-R66 IonicContact OD1-NE 2.7Å; D53-R66 IonicContact OD1-NH2 3.6Å; D53-R66 PolarHBondContact OD1-NH2 2.94Å
54S97.3Very high96.4Very high78 Ų7848.6 Ų48.655%0.54529%0.285SS..G310 helixtrans-66.70.3173.8-47.50000114.6H52 G56H52-S54 VanDerWaalsContact C-N 3.33Å; H52-S54 PolarHBondContact CE1-OG 3.39Å; H52-S54 WeakPolarHBondContact ND1-CB 3.44Å; H52-S54 PolarHBondContact ND1-N 3.27Å; H52-S54 PolarHBondContact ND1-OG 2.79Å; H52-S54 PolarHBondContact O-N 3Å; S54-G56 PolarHBondContact O-N 3.37Å
55Y95Very high96.5Very high104 Ų10446 Ų4641%0.40827%0.271SS..G310 helixtrans-60.8-20.7167.6-176.1-120.6000112.5V51 H52 D53 K57 W92V51-Y55 HydrophobicContact CG1-CD1 3.92Å; V51-Y55 HydrophobicContact CG1-CG 4.19Å; V51-Y55 HydrophobicContact CG2-CD1 4.02Å; V51-Y55 HydrophobicContact CG2-CD2 4.03Å; V51-Y55 HydrophobicContact CG2-CG 3.64Å; H52-Y55 WeakPolarHBondContact O-CB 3.29Å; H52-Y55 PolarHBondContact O-N 2.94Å; H52-Y55 VanDerWaalsContact O-N 3.11Å; D53-Y55 PolarHBondContact O-N 3Å; Y55-K57 HydrophobicContact CD1-CB 3.74Å; Y55-K57 HydrophobicContact CE1-CB 3.85Å; Y55-K57 HydrophobicContact CE1-CD 4.08Å; Y55-K57 PolarHBondContact O-N 3.2Å; Y55-W92 AromaticContact CD2-CD1 3.75Å; Y55-W92 HydrophobicContact CD2-CD2 4.43Å; Y55-W92 AromaticContact CD2-CE2 3.88Å; Y55-W92 HydrophobicContact CD2-CG 4.35Å; Y55-W92 HydrophobicContact CD2-CZ2 4.47Å; Y55-W92 AromaticContact CD2-NE1 3.42Å
56G86.3Confident96.6Very high63 Ų6345.5 Ų45.565%0.64927%0.266SS*.  trans68.712.1165.300000115.7D53 S54D53-G56 PolarHBondContact O-N 3.28Å; S54-G56 PolarHBondContact O-N 3.37Å
57K91.3Very high96.6Very high92 Ų9245.9 Ų45.940%0.427%0.267SS..  trans-60.8130.1177.2179.1170.8-177.8166.90110.7S16 Y55 G59 L60S16-K57 WeakPolarHBondContact OG-CD 3.49Å; S16-K57 PolarHBondContact OG-NZ 3.37Å; Y55-K57 HydrophobicContact CD1-CB 3.74Å; Y55-K57 HydrophobicContact CE1-CB 3.85Å; Y55-K57 HydrophobicContact CE1-CD 4.08Å; Y55-K57 PolarHBondContact O-N 3.2Å; K57-G59 PolarHBondContact O-N 3.17Å; K57-L60 HydrophobicContact CB-CB 4.3Å; K57-L60 WeakPolarHBondContact O-CB 3.25Å; K57-L60 PolarHBondContact O-N 3.32Å; K57-L60 VanDerWaalsContact O-N 3.09Å
58P92.1Very high96.6Very high123 Ų12346.4 Ų46.480%0.79927%0.272SS*.THydrogen-bonded Turntrans-53.3133.3176.6-29.136000112.8L60P58-L60 VanDerWaalsContact C-N 3.27Å; P58-L60 PolarHBondContact O-N 2.61Å
59G92.6Very high96.6Very high59 Ų5946.4 Ų46.461%0.60827%0.272SS*.THydrogen-bonded Turntrans69.314.7-178.800000115.6N18 K57 V61N18-G59 PolarHBondContact ND2-O 2.87Å; K57-G59 PolarHBondContact O-N 3.17Å; G59-V61 PolarHBondContact O-N 2.83Å
60L96.3Very high96.6Very high32 Ų3246.4 Ų46.417%0.16827%0.272CS..PPolyproline II helixtrans-69.3116.7172.2-172.166.5000110.1N18 V51 K57 P58N18-L60 HydrophobicContact CB-CD1 3.95Å; V51-L60 HydrophobicContact CG1-CD1 4.45Å; V51-L60 HydrophobicContact CG1-CD2 4.13Å; K57-L60 HydrophobicContact CB-CB 4.3Å; K57-L60 WeakPolarHBondContact O-CB 3.25Å; K57-L60 PolarHBondContact O-N 3.32Å; K57-L60 VanDerWaalsContact O-N 3.09Å; P58-L60 VanDerWaalsContact C-N 3.27Å; P58-L60 PolarHBondContact O-N 2.61Å
61V97Very high96.6Very high25 Ų2551.1 Ų51.115%0.15229%0.294CS..PPolyproline II helixtrans-76.7158.9171.1-50.20000109.9N18 G59 H65 R66 M69 L301 Y302N18-V61 WeakPolarHBondContact OD1-CG2 3.34Å; N18-V61 PolarHBondContact OD1-N 3.13Å; N18-V61 VanDerWaalsContact OD1-N 3.1Å; G59-V61 PolarHBondContact O-N 2.83Å; V61-H65 HydrophobicContact CG2-CB 4.03Å; V61-R66 HydrophobicContact CG2-CG 3.64Å; V61-R66 VanDerWaalsContact O-CD 3.25Å; V61-R66 WeakPolarHBondContact O-CD 3.46Å; V61-R66 PolarHBondContact O-NE 2.91Å; V61-M69 HydrophobicContact CG2-CE 4.19Å; V61-L301 HydrophobicContact CG1-CD2 4.34Å; V61-Y302 HydrophobicContact CG1-CD1 4.14Å; V61-Y302 HydrophobicContact CG1-CE1 3.46Å; V61-Y302 VanDerWaalsContact CG1-CE1 3.46Å; V61-Y302 HydrophobicContact CG2-CE1 4.48Å; V61-Y302 WeakPolarHBondContact CG2-OH 3.22Å
62S97.9Very high96.6Very high51 Ų5152.8 Ų52.836%0.35730%0.302SS..PPolyproline II helixtrans-56.7144.6-175.7176.90000113.8D53 R64 H65 R66D53-S62 WeakPolarHBondContact OD1-CA 3.5Å; D53-S62 VanDerWaalsContact OD2-CA 3.26Å; D53-S62 WeakPolarHBondContact OD2-CA 3.38Å; D53-S62 WeakPolarHBondContact OD2-CB 3.17Å; D53-S62 PolarHBondContact OD2-OG 2.81Å; S62-R64 PolarHBondContact O-N 2.82Å; S62-R64 VanDerWaalsContact O-N 3.13Å; S62-H65 PolarHBondContact O-N 3.38Å; S62-R66 PolarHBondContact O-N 3.4Å
63S98.1Very high96.6Very high17 Ų1752.5 Ų52.512%0.11930%0.304CS..Hα-helixtrans-45.8-41.1177.160.60000112.4D53 H65 R66 L67D53-S63 PolarHBondContact OD1-N 3.37Å; D53-S63 PolarHBondContact OD2-N 2.87Å; D53-S63 PolarHBondContact OD2-OG 3.19Å; S63-H65 VanDerWaalsContact C-N 3.35Å; S63-H65 PolarHBondContact O-N 3.24Å; S63-R66 VanDerWaalsContact CA-NH2 3.33Å; S63-R66 PolarHBondContact O-N 2.82Å; S63-R66 VanDerWaalsContact O-N 3.13Å; S63-L67 WeakPolarHBondContact O-CB 3.24Å; S63-L67 VanDerWaalsContact O-CG 3.31Å; S63-L67 WeakPolarHBondContact O-CG 3.36Å; S63-L67 PolarHBondContact O-N 3.15Å
64R98.3Very high96.6Very high165 Ų16550.5 Ų50.562%0.62329%0.294SS*.Hα-helixtrans-52.9-49.1175.3-173.9-176.566.7149.52.3112.4S62 T68S62-R64 PolarHBondContact O-N 2.82Å; S62-R64 VanDerWaalsContact O-N 3.13Å; R64-T68 PolarHBondContact O-N 3.48Å; R64-T68 PolarHBondContact O-OG1 2.86Å; R64-T68 VanDerWaalsContact O-OG1 3.12Å
65H98.6Very high96.7Very high31 Ų3152.5 Ų52.514%0.14429%0.294CS..Hα-helixtrans-68.8-39.4179-68.4-69.6000111.4V61 S62 S63 T68 M69 Y295 L301V61-H65 HydrophobicContact CG2-CB 4.03Å; S62-H65 PolarHBondContact O-N 3.38Å; S63-H65 VanDerWaalsContact C-N 3.35Å; S63-H65 PolarHBondContact O-N 3.24Å; H65-T68 PolarHBondContact O-N 3.08Å; H65-M69 HydrophobicContact CB-CE 4.41Å; H65-M69 WeakPolarHBondContact O-CE 3.46Å; H65-M69 WeakPolarHBondContact O-CG 3.35Å; H65-M69 PolarHBondContact O-N 3.41Å; H65-Y295 HydrophobicContact CB-CE1 4.25Å; H65-Y295 AromaticContact ND1-CE1 3.81Å; H65-Y295 AromaticContact ND1-CZ 3.67Å; H65-Y295 PolarHBondContact ND1-OH 3.41Å; H65-L301 HydrophobicContact CB-CD1 3.87Å
66R98.8Very high96.7Very high0 Ų053.7 Ų53.70%031%0.313CS..Hα-helixtrans-67.4-41.7-179.4-61.6-176.6-69104.2-1.1111.8S16 V51 D53 V61 S62 S63 M69 C70S16-R66 VanDerWaalsContact O-CD 3.31Å; S16-R66 WeakPolarHBondContact O-CD 3.41Å; S16-R66 PolarHBondContact O-NH1 3.27Å; V51-R66 VanDerWaalsContact O-CZ 3.26Å; V51-R66 PolarHBondContact O-NH1 3.13Å; V51-R66 PolarHBondContact O-NH2 3.44Å; D53-R66 IonicContact OD1-CZ 2.66Å; D53-R66 IonicContact OD1-NE 2.7Å; D53-R66 IonicContact OD1-NH2 3.6Å; D53-R66 PolarHBondContact OD1-NH2 2.94Å; V61-R66 HydrophobicContact CG2-CG 3.64Å; V61-R66 VanDerWaalsContact O-CD 3.25Å; V61-R66 WeakPolarHBondContact O-CD 3.46Å; V61-R66 PolarHBondContact O-NE 2.91Å; S62-R66 PolarHBondContact O-N 3.4Å; S63-R66 VanDerWaalsContact CA-NH2 3.33Å; S63-R66 PolarHBondContact O-N 2.82Å; S63-R66 VanDerWaalsContact O-N 3.13Å; R66-M69 HydrophobicContact CG-CE 4.12Å; R66-M69 PolarHBondContact O-N 3.15Å; R66-C70 WeakPolarHBondContact O-CB 3.3Å; R66-C70 PolarHBondContact O-N 3.48Å; R66-C70 PolarHBondContact O-SG 3.48Å
67L98.8Very high97.3Very high9 Ų951.8 Ų51.85%0.04729%0.289CS..Hα-helixtrans-58-49.8171.6-74.8167.7000111.6P50 S63 M69 C70 Q71 V82 P84 C87 Y88P50-L67 HydrophobicContact CG-CD2 3.86Å; S63-L67 WeakPolarHBondContact O-CB 3.24Å; S63-L67 VanDerWaalsContact O-CG 3.31Å; S63-L67 WeakPolarHBondContact O-CG 3.36Å; S63-L67 PolarHBondContact O-N 3.15Å; L67-M69 PolarHBondContact O-N 3.14Å; L67-C70 PolarHBondContact O-N 2.9Å; L67-Q71 VanDerWaalsContact O-CG 3.3Å; L67-Q71 WeakPolarHBondContact O-CG 3.26Å; L67-Q71 PolarHBondContact O-N 3.04Å; L67-V82 HydrophobicContact CD2-CG1 3.85Å; L67-P84 HydrophobicContact CD1-CB 4.03Å; L67-P84 HydrophobicContact CD2-CB 3.89Å; L67-C87 HydrophobicContact CD1-CB 3.76Å; L67-C87 HydrophobicContact CG-CB 4.35Å; L67-Y88 HydrophobicContact CD1-CE1 4.2Å
68T98.8Very high97.6Very high40 Ų4053.1 Ų53.125%0.24530%0.301CS..Hα-helixtrans-61.3-44.3177.7-56.80000112R64 H65 C70 Q71 L72 Y295R64-T68 PolarHBondContact O-N 3.48Å; R64-T68 PolarHBondContact O-OG1 2.86Å; R64-T68 VanDerWaalsContact O-OG1 3.12Å; H65-T68 PolarHBondContact O-N 3.08Å; T68-C70 PolarHBondContact O-N 2.88Å; T68-Q71 PolarHBondContact O-N 3.39Å; T68-L72 HydrophobicContact CG2-CD1 3.89Å; T68-L72 HydrophobicContact CG2-CG 4.39Å; T68-L72 WeakPolarHBondContact O-CB 3.25Å; T68-L72 VanDerWaalsContact O-CG 3.26Å; T68-L72 WeakPolarHBondContact O-CG 3.19Å; T68-L72 PolarHBondContact O-N 3.12Å; T68-Y295 HydrophobicContact CG2-CD2 3.82Å; T68-Y295 HydrophobicContact CG2-CE1 4.29Å; T68-Y295 HydrophobicContact CG2-CE2 3.4Å; T68-Y295 VanDerWaalsContact CG2-CE2 3.4Å; T68-Y295 HydrophobicContact CG2-CG 4.4Å
69M98.9Very high97.9Very high0 Ų048 Ų480%027%0.266CS..Hα-helixtrans-62.5-41.1175.3-70.8-176.9-67.900112.3P19 I20 V61 H65 R66 L67 L72 A73 V292 Y295 I296 L301 Y302P19-M69 HydrophobicContact CB-CE 4.11Å; P19-M69 HydrophobicContact CB-SD 3.73Å; I20-M69 HydrophobicContact CG2-CB 4.16Å; I20-M69 WeakPolarHBondContact CG2-O 3.33Å; V61-M69 HydrophobicContact CG2-CE 4.19Å; H65-M69 HydrophobicContact CB-CE 4.41Å; H65-M69 WeakPolarHBondContact O-CE 3.46Å; H65-M69 WeakPolarHBondContact O-CG 3.35Å; H65-M69 PolarHBondContact O-N 3.41Å; R66-M69 HydrophobicContact CG-CE 4.12Å; R66-M69 PolarHBondContact O-N 3.15Å; L67-M69 PolarHBondContact O-N 3.14Å; M69-L72 PolarHBondContact O-N 3.15Å; M69-A73 WeakPolarHBondContact O-CB 3.46Å; M69-A73 PolarHBondContact O-N 3.44Å; M69-V292 HydrophobicContact CB-CG1 4.18Å; M69-V292 HydrophobicContact CB-CG2 4.47Å; M69-V292 HydrophobicContact CG-CG1 4.11Å; M69-V292 VanDerWaalsContact O-CG2 3.31Å; M69-V292 WeakPolarHBondContact O-CG2 3.27Å; M69-V292 HydrophobicContact SD-CG1 4.22Å; M69-Y295 HydrophobicContact CG-CD1 3.51Å; M69-Y295 HydrophobicContact CG-CE1 3.89Å; M69-Y295 HydrophobicContact SD-CD1 4.31Å; M69-I296 HydrophobicContact SD-CD1 3.75Å; M69-I296 HydrophobicContact SD-CG1 3.49Å; M69-I296 WeakPolarHBondContact SD-CG1 3.38Å; M69-L301 HydrophobicContact CE-CD1 4.33Å; M69-L301 HydrophobicContact SD-CD1 4.33Å; M69-Y302 HydrophobicContact CE-CE2 4.35Å; M69-Y302 HydrophobicContact SD-CE2 4.32Å
70C98.9Very high98.2Very high0 Ų045.2 Ų45.20%024%0.237CC..Hα-helixtrans-61.9-43.7174.7-70.70000112F17 I20 I48 P50 R66 L67 T68 A73 V74 V82F17-C70 VanDerWaalsContact CB-SG 3.53Å; I20-C70 HydrophobicContact CD1-CB 4.26Å; I48-C70 HydrophobicContact CG2-CB 4.16Å; P50-C70 HydrophobicContact CG-CB 4.46Å; R66-C70 WeakPolarHBondContact O-CB 3.3Å; R66-C70 PolarHBondContact O-N 3.48Å; R66-C70 PolarHBondContact O-SG 3.48Å; L67-C70 PolarHBondContact O-N 2.9Å; T68-C70 PolarHBondContact O-N 2.88Å; C70-A73 PolarHBondContact O-N 2.76Å; C70-V74 PolarHBondContact O-N 3.34Å; C70-V82 HydrophobicContact CB-CB 4.43Å; C70-V82 HydrophobicContact CB-CG1 3.87Å; C70-V82 HydrophobicContact CB-CG2 3.61Å
71Q98.8Very high98.2Very high100 Ų10049.8 Ų49.847%0.46725%0.252SS..Hα-helixtrans-62.5-46.7178.5-73.2167.4-21.600111.1L67 T68 A73 V74 Q75 V82L67-Q71 VanDerWaalsContact O-CG 3.3Å; L67-Q71 WeakPolarHBondContact O-CG 3.26Å; L67-Q71 PolarHBondContact O-N 3.04Å; T68-Q71 PolarHBondContact O-N 3.39Å; Q71-A73 VanDerWaalsContact C-N 3.29Å; Q71-A73 PolarHBondContact O-N 3.26Å; Q71-V74 PolarHBondContact O-N 3.3Å; Q71-Q75 PolarHBondContact O-N 3.44Å; Q71-V82 HydrophobicContact CG-CB 4.14Å; Q71-V82 HydrophobicContact CG-CG2 4.1Å
72L98.8Very high98.3Very high43 Ų4349.8 Ų49.823%0.22525%0.252CS..Hα-helixtrans-61.8-34.3175.7-71.4168.8000112.8T68 M69 Q75 P291 V292 Y295T68-L72 HydrophobicContact CG2-CD1 3.89Å; T68-L72 HydrophobicContact CG2-CG 4.39Å; T68-L72 WeakPolarHBondContact O-CB 3.25Å; T68-L72 VanDerWaalsContact O-CG 3.26Å; T68-L72 WeakPolarHBondContact O-CG 3.19Å; T68-L72 PolarHBondContact O-N 3.12Å; M69-L72 PolarHBondContact O-N 3.15Å; L72-Q75 WeakPolarHBondContact O-CG 3.29Å; L72-P291 HydrophobicContact CB-CB 4.1Å; L72-P291 HydrophobicContact CD2-CB 4.1Å; L72-V292 HydrophobicContact CB-CG2 4.09Å; L72-Y295 HydrophobicContact CD1-CD2 4.04Å; L72-Y295 HydrophobicContact CD1-CG 3.86Å
73A98.6Very high98.4Very high16 Ų1649 Ų4913%0.13224%0.243CC..Hα-helixtrans-71.3-26.9177.300000114I20 I25 M69 C70 Q71 V292I20-A73 HydrophobicContact CD1-CB 3.96Å; I20-A73 HydrophobicContact CG1-CB 4.23Å; I20-A73 HydrophobicContact CG2-CB 3.62Å; I25-A73 HydrophobicContact CD1-CB 4.35Å; M69-A73 WeakPolarHBondContact O-CB 3.46Å; M69-A73 PolarHBondContact O-N 3.44Å; C70-A73 PolarHBondContact O-N 2.76Å; Q71-A73 VanDerWaalsContact C-N 3.29Å; Q71-A73 PolarHBondContact O-N 3.26Å; A73-V292 HydrophobicContact CB-CG2 3.97Å
74V98.5Very high98.4Very high13 Ų1350 Ų508%0.07925%0.25CC..Hα-helixtrans-108.27.6179.6-54.20000114I25 I48 C70 Q71 T76 S77 I80 V82I25-V74 HydrophobicContact CD1-CG1 3.72Å; I48-V74 HydrophobicContact CD1-CG1 3.64Å; C70-V74 PolarHBondContact O-N 3.34Å; Q71-V74 PolarHBondContact O-N 3.3Å; V74-T76 PolarHBondContact O-N 3Å; V74-S77 WeakPolarHBondContact O-CB 3.31Å; V74-S77 PolarHBondContact O-N 3.42Å; V74-I80 HydrophobicContact CB-CB 4.45Å; V74-I80 HydrophobicContact CB-CG2 4.5Å; V74-I80 HydrophobicContact CG1-CB 4.19Å; V74-I80 HydrophobicContact CG1-CG2 3.83Å; V74-V82 HydrophobicContact CG2-CG2 3.84Å
75Q97.5Very high98.4Very high119 Ų11944.5 Ų44.556%0.55623%0.229SC*.THydrogen-bonded Turntrans-58.6-22.8-174.874.8-177.812.400114.5Q71 L72Q71-Q75 PolarHBondContact O-N 3.44Å; L72-Q75 WeakPolarHBondContact O-CG 3.29Å
76T96.7Very high98.4Very high130 Ų13043.3 Ų43.380%0.79822%0.224SC*.THydrogen-bonded Turntrans-103.54.2176.263.60000113.4V74V74-T76 PolarHBondContact O-N 3Å
77S97.9Very high98.3Very high23 Ų2343.7 Ų43.716%0.16123%0.226CC..  trans-85.5127.9177.4-173.90000110V74 W79 I80 R81V74-S77 WeakPolarHBondContact O-CB 3.31Å; V74-S77 PolarHBondContact O-N 3.42Å; S77-W79 PolarHBondContact OG-N 2.75Å; S77-I80 WeakPolarHBondContact OG-CB 3.49Å; S77-I80 WeakPolarHBondContact OG-CG1 3.32Å; S77-I80 PolarHBondContact OG-N 3.11Å; S77-R81 PolarHBondContact O-NH1 2.74Å
78D97.3Very high98.3Very high119 Ų11951.2 Ų51.264%0.63626%0.255SS*.SBendtrans-73.3-28.317259.5-10.3000112.1R81D78-R81 PolarHBondContact O-NH1 2.92Å; D78-R81 PolarHBondContact O-NH2 3.18Å
79W98.3Very high98.3Very high16 Ų1652 Ų526%0.06126%0.255CS..SBendtrans-117.5-16.8-167.477.9-78.1000116.5L11 F28 E29 R32 V43 G45 G46 S77L11-W79 HydrophobicContact CD1-CH2 4.12Å; L11-W79 HydrophobicContact CD1-CZ3 4.22Å; F28-W79 HydrophobicContact CB-CH2 3.7Å; F28-W79 HydrophobicContact CB-CZ2 3.74Å; F28-W79 AromaticContact CD1-CH2 3.84Å; F28-W79 HydrophobicContact CD1-CH2 3.84Å; F28-W79 HydrophobicContact CD1-CZ3 4.21Å; F28-W79 HydrophobicContact CG-CH2 4.27Å; F28-W79 WeakPolarHBondContact O-CH2 3.44Å; E29-W79 PolarHBondContact OE1-NE1 2.87Å; E29-W79 PolarHBondContact OE2-NE1 2.88Å; R32-W79 HydrophobicContact CB-CH2 3.68Å; R32-W79 HydrophobicContact CB-CZ2 3.85Å; R32-W79 HydrophobicContact CB-CZ3 4.33Å; R32-W79 VanDerWaalsContact CD-CE2 3.45Å; R32-W79 HydrophobicContact CG-CH2 4.29Å; R32-W79 HydrophobicContact CG-CZ2 4.33Å; V43-W79 HydrophobicContact CG1-CE3 4.05Å; V43-W79 HydrophobicContact CG1-CH2 4.38Å; V43-W79 HydrophobicContact CG1-CZ3 3.57Å; G45-W79 WeakPolarHBondContact CA-O 3.44Å; G46-W79 PolarHBondContact N-O 2.62Å; S77-W79 PolarHBondContact OG-N 2.75Å
80I98.6Very high98.2Very high1 Ų159.6 Ų59.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-100.6134.4179.2-49.8169.9000110.1I25 F28 G46 I48 V74 S77I25-I80 HydrophobicContact CG2-CD1 4.46Å; F28-I80 HydrophobicContact CB-CD1 3.55Å; F28-I80 HydrophobicContact CB-CG1 4.34Å; F28-I80 HydrophobicContact CD1-CD1 4.32Å; F28-I80 HydrophobicContact CD1-CG1 4.32Å; F28-I80 HydrophobicContact CD1-CG2 4.43Å; F28-I80 HydrophobicContact CD2-CD1 4.43Å; F28-I80 HydrophobicContact CE1-CG2 4.41Å; F28-I80 HydrophobicContact CG-CD1 3.88Å; F28-I80 HydrophobicContact CG-CG1 4.37Å; G46-I80 CarbonylContact O-C 3.56Å; G46-I80 WeakPolarHBondContact O-CA 3.38Å; I48-I80 HydrophobicContact CD1-CG2 3.82Å; I48-I80 HydrophobicContact CG1-CG2 4.09Å; V74-I80 HydrophobicContact CB-CB 4.45Å; V74-I80 HydrophobicContact CB-CG2 4.5Å; V74-I80 HydrophobicContact CG1-CB 4.19Å; V74-I80 HydrophobicContact CG1-CG2 3.83Å; S77-I80 WeakPolarHBondContact OG-CB 3.49Å; S77-I80 WeakPolarHBondContact OG-CG1 3.32Å; S77-I80 PolarHBondContact OG-N 3.11Å
81R98.1Very high98.1Very high128 Ų12863.7 Ų63.748%0.48332%0.321SS..EExtended strand (participates in β ladder)trans-128163.4176.3-59.3-64.7176.6-96.5-2.1110.9G46 I47 I48 S77 D78G46-R81 PolarHBondContact O-N 3.35Å; I47-R81 WeakPolarHBondContact CA-O 3.5Å; I48-R81 PolarHBondContact N-O 2.79Å; S77-R81 PolarHBondContact O-NH1 2.74Å; D78-R81 PolarHBondContact O-NH1 2.92Å; D78-R81 PolarHBondContact O-NH2 3.18Å
82V98.8Very high98Very high25 Ų2564.1 Ų64.115%0.15232%0.319CS..EExtended strand (participates in β ladder)trans-109.3127.8173.2-173.30000108I48 P50 L67 C70 Q71 V74I48-V82 HydrophobicContact CB-CG2 4.36Å; I48-V82 HydrophobicContact CG2-CG1 4.45Å; I48-V82 WeakPolarHBondContact O-CA 3.39Å; P50-V82 HydrophobicContact CG-CG1 4.12Å; L67-V82 HydrophobicContact CD2-CG1 3.85Å; C70-V82 HydrophobicContact CB-CB 4.43Å; C70-V82 HydrophobicContact CB-CG1 3.87Å; C70-V82 HydrophobicContact CB-CG2 3.61Å; Q71-V82 HydrophobicContact CG-CB 4.14Å; Q71-V82 HydrophobicContact CG-CG2 4.1Å; V74-V82 HydrophobicContact CG2-CG2 3.84Å
83D98.6Very high98Very high33 Ų3364 Ų6418%0.17632%0.317CS..  trans-105.5126.2173.1-161.1-54.9000110I47 I48 W85 H102I47-D83 HydrophobicContact CG2-CB 3.78Å; I48-D83 PolarHBondContact O-N 3.12Å; D83-W85 WeakPolarHBondContact OD1-CB 3.34Å; D83-W85 PolarHBondContact OD1-N 3.34Å; D83-H102 IonicContact OD2-CE1 2.72Å; D83-H102 PolarHBondContact OD2-CE1 2.95Å
84P98.4Very high98Very high39 Ų3964.8 Ų64.825%0.25332%0.32SS..  trans-84.9-1.3179.536.1-37.2000114.2L67 E86 C87 Y88L67-P84 HydrophobicContact CD1-CB 4.03Å; L67-P84 HydrophobicContact CD2-CB 3.89Å; P84-E86 PolarHBondContact O-N 3.26Å; P84-C87 WeakPolarHBondContact O-CA 3.46Å; P84-C87 WeakPolarHBondContact O-CB 3.4Å; P84-C87 PolarHBondContact O-N 3.25Å; P84-Y88 HydrophobicContact CB-CD2 3.96Å; P84-Y88 HydrophobicContact CB-CE1 4.3Å; P84-Y88 HydrophobicContact CB-CE2 3.67Å; P84-Y88 HydrophobicContact CB-CG 4.41Å; P84-Y88 HydrophobicContact CG-CD2 4.13Å; P84-Y88 HydrophobicContact CG-CE2 3.79Å; P84-Y88 PolarHBondContact O-N 3.4Å; P84-Y88 VanDerWaalsContact O-N 3.12Å
85W98.6Very high98Very high50 Ų5065.2 Ų65.219%0.18932%0.323CS..THydrogen-bonded Turntrans-51.7-49.4-169.9176.279.8000113.2D83 C87 Y88 Q89 Q93 V98 H101D83-W85 WeakPolarHBondContact OD1-CB 3.34Å; D83-W85 PolarHBondContact OD1-N 3.34Å; W85-C87 VanDerWaalsContact C-N 3.32Å; W85-C87 PolarHBondContact O-N 3.41Å; W85-Y88 PolarHBondContact O-N 3.42Å; W85-Y88 VanDerWaalsContact O-N 3.08Å; W85-Q89 HydrophobicContact CD2-CG 4.47Å; W85-Q89 HydrophobicContact CH2-CG 4.2Å; W85-Q89 HydrophobicContact CZ2-CG 4Å; W85-Q89 VanDerWaalsContact NE1-NE2 3.13Å; W85-Q89 PolarHBondContact O-N 3.43Å; W85-Q89 PolarHBondContact O-NE2 2.98Å; W85-Q93 HydrophobicContact CH2-CG 4.15Å; W85-Q93 HydrophobicContact CZ3-CG 4.28Å; W85-V98 HydrophobicContact CE3-CG1 4.46Å; W85-V98 HydrophobicContact CZ3-CB 4.32Å; W85-V98 HydrophobicContact CZ3-CG1 4.45Å; W85-V98 HydrophobicContact CZ3-CG2 4.06Å; W85-H101 AromaticContact CD1-CE1 3.32Å; W85-H101 AromaticContact CD1-ND1 3.81Å; W85-H101 AromaticContact CD1-NE2 3.56Å; W85-H101 HydrophobicContact CD2-CB 4.17Å; W85-H101 AromaticContact CD2-CD2 3.58Å; W85-H101 AromaticContact CD2-CE1 3.87Å; W85-H101 AromaticContact CD2-CG 3.5Å; W85-H101 VanDerWaalsContact CD2-CG 3.5Å; W85-H101 AromaticContact CD2-ND1 3.7Å; W85-H101 AromaticContact CD2-NE2 3.86Å; W85-H101 AromaticContact CE2-CD2 3.99Å; W85-H101 AromaticContact CE2-CE1 3.64Å; W85-H101 AromaticContact CE2-CG 3.49Å; W85-H101 VanDerWaalsContact CE2-CG 3.49Å; W85-H101 AromaticContact CE2-ND1 3.25Å; W85-H101 VanDerWaalsContact CE2-ND1 3.25Å; W85-H101 HydrophobicContact CE3-CB 3.99Å; W85-H101 AromaticContact CE3-CD2 3.93Å; W85-H101 AromaticContact CE3-CG 3.79Å; W85-H101 AromaticContact CG-CD2 3.71Å; W85-H101 AromaticContact CG-CE1 3.71Å; W85-H101 AromaticContact CG-NE2 3.53Å; W85-H101 HydrophobicContact CH2-CB 3.77Å; W85-H101 HydrophobicContact CZ2-CB 3.95Å; W85-H101 AromaticContact CZ2-CG 3.8Å; W85-H101 AromaticContact CZ2-ND1 3.64Å; W85-H101 HydrophobicContact CZ3-CB 3.8Å; W85-H101 AromaticContact NE1-CE1 3.27Å; W85-H101 PolarHBondContact NE1-CE1 3.19Å; W85-H101 VanDerWaalsContact NE1-CE1 3.27Å; W85-H101 AromaticContact NE1-CG 3.95Å; W85-H101 AromaticContact NE1-ND1 3.32Å; W85-H101 PolarHBondContact NE1-ND1 3.09Å; W85-H101 AromaticContact NE1-NE2 3.9Å
86E98.5Very high98Very high6 Ų659.9 Ų59.93%0.02830%0.299CS..G310 helixtrans-61.9-39.8179-171-172.6164.800112.1S49 V51 P84 Y88 Q89 Q93 V98S49-E86 WeakPolarHBondContact OG-CB 3.49Å; S49-E86 PolarHBondContact OG-OE2 2.93Å; V51-E86 VanDerWaalsContact CA-OE1 3.29Å; V51-E86 WeakPolarHBondContact CA-OE1 3.29Å; V51-E86 VanDerWaalsContact CG2-OE1 3.31Å; V51-E86 WeakPolarHBondContact CG2-OE1 3.13Å; P84-E86 PolarHBondContact O-N 3.26Å; E86-Y88 PolarHBondContact O-N 3.1Å; E86-Q89 PolarHBondContact O-N 3.24Å; E86-Q93 HydrophobicContact CG-CB 4.44Å; E86-V98 HydrophobicContact CB-CG2 4.31Å; E86-V98 HydrophobicContact CG-CG2 3.93Å
87C97.9Very high98.1Very high7 Ų755.4 Ų55.45%0.04727%0.273CS..G310 helixtrans-67.1-17.4176.1-72.60000114.1P50 L67 P84 W85P50-C87 PolarHBondContact O-SG 3.39Å; L67-C87 HydrophobicContact CD1-CB 3.76Å; L67-C87 HydrophobicContact CG-CB 4.35Å; P84-C87 WeakPolarHBondContact O-CA 3.46Å; P84-C87 WeakPolarHBondContact O-CB 3.4Å; P84-C87 PolarHBondContact O-N 3.25Å; W85-C87 VanDerWaalsContact C-N 3.32Å; W85-C87 PolarHBondContact O-N 3.41Å
88Y97.5Very high98.2Very high168 Ų16854.3 Ų54.366%0.65927%0.265SS*.G310 helixtrans-107.78-176.6-68.7-10.7000113.6L67 P84 W85 E86L67-Y88 HydrophobicContact CD1-CE1 4.2Å; P84-Y88 HydrophobicContact CB-CD2 3.96Å; P84-Y88 HydrophobicContact CB-CE1 4.3Å; P84-Y88 HydrophobicContact CB-CE2 3.67Å; P84-Y88 HydrophobicContact CB-CG 4.41Å; P84-Y88 HydrophobicContact CG-CD2 4.13Å; P84-Y88 HydrophobicContact CG-CE2 3.79Å; P84-Y88 PolarHBondContact O-N 3.4Å; P84-Y88 VanDerWaalsContact O-N 3.12Å; W85-Y88 PolarHBondContact O-N 3.42Å; W85-Y88 VanDerWaalsContact O-N 3.08Å; E86-Y88 PolarHBondContact O-N 3.1Å
89Q98.3Very high98.2Very high55 Ų5548.6 Ų48.626%0.25724%0.235SC..SBendtrans-78.4155.3168.7-58-43.1-76.600110.6H52 W85 E86 T91 Q93H52-Q89 PolarHBondContact CD2-O 2.98Å; H52-Q89 PolarHBondContact NE2-O 3.46Å; H52-Q89 VanDerWaalsContact NE2-O 3.13Å; W85-Q89 HydrophobicContact CD2-CG 4.47Å; W85-Q89 HydrophobicContact CH2-CG 4.2Å; W85-Q89 HydrophobicContact CZ2-CG 4Å; W85-Q89 VanDerWaalsContact NE1-NE2 3.13Å; W85-Q89 PolarHBondContact O-N 3.43Å; W85-Q89 PolarHBondContact O-NE2 2.98Å; E86-Q89 PolarHBondContact O-N 3.24Å; Q89-T91 WeakPolarHBondContact CB-O 3.34Å; Q89-T91 PolarHBondContact O-N 3.16Å; Q89-Q93 HydrophobicContact CB-CG 4.08Å; Q89-Q93 HydrophobicContact CG-CG 3.72Å
90D96.7Very high98.2Very high161 Ų16151.2 Ų51.286%0.86125%0.248SC*.SBendtrans-66.6-22.2178.4-62.2-44.8000112.8
91T97.1Very high98.2Very high85 Ų8553.1 Ų53.152%0.52126%0.256SS..SBendtrans-141.4165.5-178.361.90000111.5Q89 Q93Q89-T91 WeakPolarHBondContact CB-O 3.34Å; Q89-T91 PolarHBondContact O-N 3.16Å; T91-Q93 PolarHBondContact O-NE2 3.39Å; T91-Q93 PolarHBondContact OG1-NE2 3.46Å
92W97.8Very high98.1Very high110 Ų11047.2 Ų47.242%0.41723%0.234SC..  trans-60.1141.7171.4170.872.9000112.3H52 Y55 T94H52-W92 HydrophobicContact CB-CB 4.35Å; H52-W92 PolarHBondContact ND1-N 2.89Å; Y55-W92 AromaticContact CD2-CD1 3.75Å; Y55-W92 HydrophobicContact CD2-CD2 4.43Å; Y55-W92 AromaticContact CD2-CE2 3.88Å; Y55-W92 HydrophobicContact CD2-CG 4.35Å; Y55-W92 HydrophobicContact CD2-CZ2 4.47Å; Y55-W92 AromaticContact CD2-NE1 3.42Å; W92-T94 HydrophobicContact CH2-CG2 3.92Å; W92-T94 HydrophobicContact CZ3-CG2 4.17Å
93Q98.4Very high97.9Very high39 Ų3948.5 Ų48.518%0.18224%0.236CC..  trans-113.5147.5-179.3-55.9-54.5-52.700110.9W85 E86 Q89 T91 V98W85-Q93 HydrophobicContact CH2-CG 4.15Å; W85-Q93 HydrophobicContact CZ3-CG 4.28Å; E86-Q93 HydrophobicContact CG-CB 4.44Å; Q89-Q93 HydrophobicContact CB-CG 4.08Å; Q89-Q93 HydrophobicContact CG-CG 3.72Å; T91-Q93 PolarHBondContact O-NE2 3.39Å; T91-Q93 PolarHBondContact OG1-NE2 3.46Å; Q93-V98 HydrophobicContact CB-CG2 4.19Å
94T98.3Very high97.6Very high33 Ų3349.8 Ų49.820%0.20224%0.243CC..  trans-72.6151.2171.775.70000110.4W92 C96 S97 V98 D217W92-T94 HydrophobicContact CH2-CG2 3.92Å; W92-T94 HydrophobicContact CZ3-CG2 4.17Å; T94-C96 PolarHBondContact O-N 2.73Å; T94-C96 VanDerWaalsContact O-N 3.12Å; T94-S97 WeakPolarHBondContact O-CB 3.44Å; T94-S97 PolarHBondContact O-N 2.9Å; T94-S97 PolarHBondContact OG1-N 3.48Å; T94-V98 PolarHBondContact O-N 3.43Å; T94-V98 VanDerWaalsContact O-N 3.15Å; T94-D217 WeakPolarHBondContact CB-OD2 3.42Å; T94-D217 PolarHBondContact OG1-OD2 3.17Å
95T98.6Very high97.2Very high22 Ų2250.6 Ų50.614%0.13525%0.245CC..Hα-helixtrans-54.9-31.6175.8-52.40000112.3C14 V98 L99 L197C14-T95 HydrophobicContact CB-CG2 4.11Å; T95-V98 PolarHBondContact O-N 3.14Å; T95-L99 HydrophobicContact CG2-CD1 4.12Å; T95-L99 WeakPolarHBondContact O-CB 3.45Å; T95-L99 WeakPolarHBondContact O-CD1 3.31Å; T95-L99 WeakPolarHBondContact O-CG 3.48Å; T95-L99 PolarHBondContact O-N 2.97Å; T95-L197 HydrophobicContact CG2-CD1 3.72Å; T95-L197 HydrophobicContact CG2-CD2 4.01Å
96C98.5Very high96.6Very high7 Ų749.6 Ų49.65%0.04724%0.243CC..Hα-helixtrans-59.2-52.9171.7-171.90000111T94 V98 L99 E100 D217 V220 I221T94-C96 PolarHBondContact O-N 2.73Å; T94-C96 VanDerWaalsContact O-N 3.12Å; C96-V98 VanDerWaalsContact C-N 3.29Å; C96-V98 PolarHBondContact O-N 3.01Å; C96-L99 WeakPolarHBondContact O-CB 3.36Å; C96-L99 PolarHBondContact O-N 2.8Å; C96-L99 VanDerWaalsContact O-N 3.12Å; C96-E100 WeakPolarHBondContact O-CG 3.49Å; C96-E100 PolarHBondContact O-N 3.28Å; C96-D217 HydrophobicContact CB-CB 3.83Å; C96-V220 VanDerWaalsContact SG-CG1 3.54Å; C96-I221 HydrophobicContact CB-CD1 4.1Å; C96-I221 HydrophobicContact CB-CG1 4.07Å
97S98.5Very high96Very high36 Ų3655 Ų5525%0.25227%0.266SS..Hα-helixtrans-58.1-38178-176.20000113.2T94 E100 H101T94-S97 WeakPolarHBondContact O-CB 3.44Å; T94-S97 PolarHBondContact O-N 2.9Å; T94-S97 PolarHBondContact OG1-N 3.48Å; S97-E100 PolarHBondContact O-N 3.05Å; S97-H101 WeakPolarHBondContact O-CB 3.35Å; S97-H101 PolarHBondContact O-N 3.25Å
98V98.8Very high95.2Very high0 Ų061 Ų610%029%0.288CS..Hα-helixtrans-65.4-45.1175.5-171.20000111.3L12 W85 E86 Q93 T94 T95 C96 E100 H101 H102L12-V98 HydrophobicContact CD2-CG1 4.2Å; W85-V98 HydrophobicContact CE3-CG1 4.46Å; W85-V98 HydrophobicContact CZ3-CB 4.32Å; W85-V98 HydrophobicContact CZ3-CG1 4.45Å; W85-V98 HydrophobicContact CZ3-CG2 4.06Å; E86-V98 HydrophobicContact CB-CG2 4.31Å; E86-V98 HydrophobicContact CG-CG2 3.93Å; Q93-V98 HydrophobicContact CB-CG2 4.19Å; T94-V98 PolarHBondContact O-N 3.43Å; T94-V98 VanDerWaalsContact O-N 3.15Å; T95-V98 PolarHBondContact O-N 3.14Å; C96-V98 VanDerWaalsContact C-N 3.29Å; C96-V98 PolarHBondContact O-N 3.01Å; V98-E100 PolarHBondContact O-N 2.76Å; V98-H101 PolarHBondContact O-N 3Å; V98-H102 PolarHBondContact O-CD2 2.77Å; V98-H102 PolarHBondContact O-N 3.21Å; V98-H102 VanDerWaalsContact O-N 3.14Å
99L98.6Very high94.3Very high0 Ų055.6 Ų55.60%027%0.272CS..Hα-helixtrans-59.1-44.7174.1-78.8159.2000111.9L12 T95 C96 H102 R103 I195 L197 I221 F225L12-L99 HydrophobicContact CB-CD2 4.46Å; L12-L99 HydrophobicContact CD2-CD2 3.66Å; L12-L99 HydrophobicContact CD2-CG 3.91Å; T95-L99 HydrophobicContact CG2-CD1 4.12Å; T95-L99 WeakPolarHBondContact O-CB 3.45Å; T95-L99 WeakPolarHBondContact O-CD1 3.31Å; T95-L99 WeakPolarHBondContact O-CG 3.48Å; T95-L99 PolarHBondContact O-N 2.97Å; C96-L99 WeakPolarHBondContact O-CB 3.36Å; C96-L99 PolarHBondContact O-N 2.8Å; C96-L99 VanDerWaalsContact O-N 3.12Å; L99-H102 PolarHBondContact O-N 3.38Å; L99-R103 WeakPolarHBondContact O-CB 3.46Å; L99-R103 PolarHBondContact O-N 2.94Å; L99-I195 HydrophobicContact CD2-CG2 3.61Å; L99-L197 HydrophobicContact CD1-CB 4.28Å; L99-L197 HydrophobicContact CD2-CB 4.26Å; L99-I221 HydrophobicContact CD1-CB 4.39Å; L99-I221 HydrophobicContact CD1-CG1 3.79Å; L99-I221 HydrophobicContact CD1-CG2 4.11Å; L99-F225 HydrophobicContact CB-CD1 4.01Å; L99-F225 HydrophobicContact CB-CD2 4.11Å; L99-F225 HydrophobicContact CB-CE1 3.7Å; L99-F225 HydrophobicContact CB-CE2 3.83Å; L99-F225 HydrophobicContact CB-CG 4.2Å; L99-F225 HydrophobicContact CB-CZ 3.61Å; L99-F225 HydrophobicContact CD1-CD2 4.41Å; L99-F225 HydrophobicContact CD1-CG 4.38Å; L99-F225 HydrophobicContact CD2-CB 4.43Å; L99-F225 HydrophobicContact CD2-CD1 3.77Å; L99-F225 HydrophobicContact CD2-CE1 4.17Å; L99-F225 HydrophobicContact CD2-CG 4.08Å; L99-F225 HydrophobicContact CG-CD1 4.41Å; L99-F225 HydrophobicContact CG-CG 4.47Å; L99-F225 VanDerWaalsContact O-CE1 3.3Å; L99-F225 WeakPolarHBondContact O-CE1 3.46Å; L99-F225 WeakPolarHBondContact O-CZ 3.4Å
100E98.1Very high93.2Very high71 Ų7155.1 Ų55.133%0.33227%0.273SS..Hα-helixtrans-65.5-41.7177.8-65.3-163.8117.200112.8C96 S97 V98 H102 R103 D104 F225C96-E100 WeakPolarHBondContact O-CG 3.49Å; C96-E100 PolarHBondContact O-N 3.28Å; S97-E100 PolarHBondContact O-N 3.05Å; V98-E100 PolarHBondContact O-N 2.76Å; E100-H102 PolarHBondContact O-N 3.12Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 2.98Å; E100-R103 IonicContact OE1-CZ 2.72Å; E100-R103 IonicContact OE1-NH2 3.73Å; E100-R103 PolarHBondContact OE1-NH2 2.83Å; E100-D104 PolarHBondContact O-N 2.83Å; E100-F225 HydrophobicContact CG-CE2 4.04Å; E100-F225 HydrophobicContact CG-CZ 4.06Å
101H97.9Very high92Very high41 Ų4149.3 Ų49.319%0.1925%0.251CS..Hα-helixtrans-54.7-52.2173.7173.578.5000111.5W85 S97 V98 D104 L105W85-H101 AromaticContact CD1-CE1 3.32Å; W85-H101 AromaticContact CD1-ND1 3.81Å; W85-H101 AromaticContact CD1-NE2 3.56Å; W85-H101 HydrophobicContact CD2-CB 4.17Å; W85-H101 AromaticContact CD2-CD2 3.58Å; W85-H101 AromaticContact CD2-CE1 3.87Å; W85-H101 AromaticContact CD2-CG 3.5Å; W85-H101 VanDerWaalsContact CD2-CG 3.5Å; W85-H101 AromaticContact CD2-ND1 3.7Å; W85-H101 AromaticContact CD2-NE2 3.86Å; W85-H101 AromaticContact CE2-CD2 3.99Å; W85-H101 AromaticContact CE2-CE1 3.64Å; W85-H101 AromaticContact CE2-CG 3.49Å; W85-H101 VanDerWaalsContact CE2-CG 3.49Å; W85-H101 AromaticContact CE2-ND1 3.25Å; W85-H101 VanDerWaalsContact CE2-ND1 3.25Å; W85-H101 HydrophobicContact CE3-CB 3.99Å; W85-H101 AromaticContact CE3-CD2 3.93Å; W85-H101 AromaticContact CE3-CG 3.79Å; W85-H101 AromaticContact CG-CD2 3.71Å; W85-H101 AromaticContact CG-CE1 3.71Å; W85-H101 AromaticContact CG-NE2 3.53Å; W85-H101 HydrophobicContact CH2-CB 3.77Å; W85-H101 HydrophobicContact CZ2-CB 3.95Å; W85-H101 AromaticContact CZ2-CG 3.8Å; W85-H101 AromaticContact CZ2-ND1 3.64Å; W85-H101 HydrophobicContact CZ3-CB 3.8Å; W85-H101 AromaticContact NE1-CE1 3.27Å; W85-H101 PolarHBondContact NE1-CE1 3.19Å; W85-H101 VanDerWaalsContact NE1-CE1 3.27Å; W85-H101 AromaticContact NE1-CG 3.95Å; W85-H101 AromaticContact NE1-ND1 3.32Å; W85-H101 PolarHBondContact NE1-ND1 3.09Å; W85-H101 AromaticContact NE1-NE2 3.9Å; S97-H101 WeakPolarHBondContact O-CB 3.35Å; S97-H101 PolarHBondContact O-N 3.25Å; V98-H101 PolarHBondContact O-N 3Å; H101-D104 PolarHBondContact O-N 3.32Å; H101-L105 WeakPolarHBondContact O-CB 3.46Å; H101-L105 PolarHBondContact O-N 2.88Å
102H96.8Very high90.2Very high4 Ų448.7 Ų48.72%0.01925%0.25CC..Hα-helixtrans-66.7-37.4-179.7-71.8-64.2000112D83 V98 L99 E100 D104 L105 M106 I195D83-H102 IonicContact OD2-CE1 2.72Å; D83-H102 PolarHBondContact OD2-CE1 2.95Å; V98-H102 PolarHBondContact O-CD2 2.77Å; V98-H102 PolarHBondContact O-N 3.21Å; V98-H102 VanDerWaalsContact O-N 3.14Å; L99-H102 PolarHBondContact O-N 3.38Å; E100-H102 PolarHBondContact O-N 3.12Å; H102-D104 VanDerWaalsContact C-N 3.31Å; H102-D104 PolarHBondContact O-N 2.98Å; H102-L105 PolarHBondContact O-N 2.93Å; H102-M106 WeakPolarHBondContact O-CG 3.26Å; H102-M106 PolarHBondContact O-N 3.01Å; H102-I195 VanDerWaalsContact C-CD1 3.44Å; H102-I195 HydrophobicContact CB-CD1 3.51Å
103R94.6Very high88.6Confident52 Ų5245.8 Ų45.820%0.19624%0.242CC..Hα-helixtrans-56-46.8174-174.6174.763.3-169.5-0.8111.7L99 E100 M106 K107 I195 D224 F225L99-R103 WeakPolarHBondContact O-CB 3.46Å; L99-R103 PolarHBondContact O-N 2.94Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 2.98Å; E100-R103 IonicContact OE1-CZ 2.72Å; E100-R103 IonicContact OE1-NH2 3.73Å; E100-R103 PolarHBondContact OE1-NH2 2.83Å; R103-M106 PolarHBondContact O-N 3.11Å; R103-K107 WeakPolarHBondContact O-CG 3.45Å; R103-K107 PolarHBondContact O-N 3.24Å; R103-K107 VanDerWaalsContact O-N 3.08Å; R103-I195 HydrophobicContact CB-CD1 4.37Å; R103-I195 VanDerWaalsContact N-CD1 3.34Å; R103-D224 IonicContact NH1-OD2 3.77Å; R103-F225 HydrophobicContact CB-CE1 3.83Å; R103-F225 HydrophobicContact CB-CZ 3.95Å; R103-F225 HydrophobicContact CG-CE1 4.26Å; R103-F225 HydrophobicContact CG-CZ 4.36Å
104D92.1Very high87Confident59 Ų5946 Ų4632%0.31624%0.244SC..Hα-helixtrans-78.8-27.3-177.8-67.7-12.2000112.4E100 H101 H102 K107 R108E100-D104 PolarHBondContact O-N 2.83Å; H101-D104 PolarHBondContact O-N 3.32Å; H102-D104 VanDerWaalsContact C-N 3.31Å; H102-D104 PolarHBondContact O-N 2.98Å; D104-K107 IonicContact OD1-NZ 2.93Å; D104-K107 PolarHBondContact OD1-NZ 3.37Å; D104-R108 WeakPolarHBondContact O-CG 3.47Å; D104-R108 VanDerWaalsContact O-CZ 3.29Å; D104-R108 PolarHBondContact O-N 2.78Å; D104-R108 VanDerWaalsContact O-N 3.12Å; D104-R108 PolarHBondContact O-NE 3.07Å; D104-R108 PolarHBondContact O-NH1 3.29Å
105L90.2Very high85Confident57 Ų5747.4 Ų47.430%0.29826%0.255SS..Hα-helixtrans-62.6-48.2168.2-178.161.3000111.2H101 H102 R108 V109H101-L105 WeakPolarHBondContact O-CB 3.46Å; H101-L105 PolarHBondContact O-N 2.88Å; H102-L105 PolarHBondContact O-N 2.93Å; L105-R108 VanDerWaalsContact CA-NH2 3.33Å; L105-R108 PolarHBondContact O-N 3.41Å; L105-V109 HydrophobicContact CD1-CG2 4.44Å; L105-V109 WeakPolarHBondContact O-CG2 3.43Å; L105-V109 PolarHBondContact O-N 3.07Å
106M86.4Confident83Confident28 Ų2851.8 Ų51.814%0.13828%0.277CS..Hα-helixtrans-58.7-50.4175.7-68.4-170.9-34.500111.6I10 H102 R103 R108 V109 T110 L193 I195I10-M106 HydrophobicContact CB-SD 4.42Å; I10-M106 HydrophobicContact CD1-CG 4.47Å; I10-M106 HydrophobicContact CD1-SD 3.64Å; I10-M106 HydrophobicContact CG1-SD 4.47Å; H102-M106 WeakPolarHBondContact O-CG 3.26Å; H102-M106 PolarHBondContact O-N 3.01Å; R103-M106 PolarHBondContact O-N 3.11Å; M106-R108 VanDerWaalsContact C-N 3.25Å; M106-R108 PolarHBondContact O-N 2.96Å; M106-V109 PolarHBondContact O-N 2.99Å; M106-T110 PolarHBondContact O-N 2.79Å; M106-T110 PolarHBondContact O-OG1 2.79Å; M106-L193 HydrophobicContact CB-CD2 4.3Å; M106-L193 HydrophobicContact CE-CD2 4.03Å; M106-L193 HydrophobicContact CE-CG 3.84Å; M106-L193 HydrophobicContact CG-CD2 4.44Å; M106-L193 HydrophobicContact SD-CD1 4.35Å; M106-L193 HydrophobicContact SD-CD2 3.78Å; M106-L193 HydrophobicContact SD-CG 3.98Å; M106-I195 HydrophobicContact CE-CD1 3.53Å; M106-I195 HydrophobicContact CE-CG1 3.54Å; M106-I195 HydrophobicContact CG-CD1 4.32Å; M106-I195 HydrophobicContact SD-CD1 3.66Å; M106-I195 HydrophobicContact SD-CG1 3.57Å; M106-I195 VanDerWaalsContact SD-CG1 3.57Å
107K84.8Confident81Confident120 Ų12056.1 Ų56.152%0.52230%0.304SS..Hα-helixtrans-53.6-42.2177.9-72.5171.9-170.5159.30112.2R103 D104 G111R103-K107 WeakPolarHBondContact O-CG 3.45Å; R103-K107 PolarHBondContact O-N 3.24Å; R103-K107 VanDerWaalsContact O-N 3.08Å; D104-K107 IonicContact OD1-NZ 2.93Å; D104-K107 PolarHBondContact OD1-NZ 3.37Å; K107-G111 PolarHBondContact O-N 2.94Å
108R81.8Confident78.6Confident133 Ų13359.4 Ų59.450%0.50232%0.318SS..Hα-helixtrans-64.7-45.6175.5-73.1-176.7-62.7-94.92.4112.1D104 L105 M106 C112D104-R108 WeakPolarHBondContact O-CG 3.47Å; D104-R108 VanDerWaalsContact O-CZ 3.29Å; D104-R108 PolarHBondContact O-N 2.78Å; D104-R108 VanDerWaalsContact O-N 3.12Å; D104-R108 PolarHBondContact O-NE 3.07Å; D104-R108 PolarHBondContact O-NH1 3.29Å; L105-R108 VanDerWaalsContact CA-NH2 3.33Å; L105-R108 PolarHBondContact O-N 3.41Å; M106-R108 VanDerWaalsContact C-N 3.25Å; M106-R108 PolarHBondContact O-N 2.96Å; R108-C112 WeakPolarHBondContact O-CB 3.16Å; R108-C112 PolarHBondContact O-N 2.99Å; R108-C112 PolarHBondContact O-SG 3.34Å
109V77.6Confident75.8Confident54 Ų5463.7 Ų63.733%0.32735%0.345SS..Hα-helixtrans-65.3-49-180173.30000111.2L105 M106 G111 C112 I113L105-V109 HydrophobicContact CD1-CG2 4.44Å; L105-V109 WeakPolarHBondContact O-CG2 3.43Å; L105-V109 PolarHBondContact O-N 3.07Å; M106-V109 PolarHBondContact O-N 2.99Å; V109-G111 PolarHBondContact O-N 3.37Å; V109-C112 WeakPolarHBondContact O-CB 3.44Å; V109-C112 PolarHBondContact O-N 3.05Å; V109-I113 HydrophobicContact CG1-CD1 3.87Å; V109-I113 WeakPolarHBondContact O-CG1 3.47Å; V109-I113 PolarHBondContact O-N 3.43Å
110T77.1Confident73.1Confident46 Ų4669 Ų6928%0.28238%0.379SS..Hα-helixtrans-60.7-43.1176.7-54.30000111.5M106 C112 I113 L114M106-T110 PolarHBondContact O-N 2.79Å; M106-T110 PolarHBondContact O-OG1 2.79Å; T110-C112 PolarHBondContact O-N 3.19Å; T110-I113 PolarHBondContact O-N 2.62Å; T110-L114 HydrophobicContact CG2-CD1 4.09Å; T110-L114 WeakPolarHBondContact O-CB 3.48Å; T110-L114 WeakPolarHBondContact O-CG 3.38Å; T110-L114 PolarHBondContact O-N 2.72Å
111G69.4Low70.3Confident38 Ų3870.4 Ų70.439%0.39240%0.397SS..Hα-helixtrans-59.5-43.1174.800000113.1K107 V109 L114 S115K107-G111 PolarHBondContact O-N 2.94Å; V109-G111 PolarHBondContact O-N 3.37Å; G111-L114 PolarHBondContact O-N 2.65Å; G111-S115 PolarHBondContact O-N 3.49Å; G111-S115 PolarHBondContact O-OG 3.01Å
112C61Low67.5Low73 Ų7374.8 Ų74.849%0.49343%0.427SS..Hα-helixtrans-64.7-40.2174.7-73.30000113.1R108 V109 T110 S115 N116R108-C112 WeakPolarHBondContact O-CB 3.16Å; R108-C112 PolarHBondContact O-N 2.99Å; R108-C112 PolarHBondContact O-SG 3.34Å; V109-C112 WeakPolarHBondContact O-CB 3.44Å; V109-C112 PolarHBondContact O-N 3.05Å; T110-C112 PolarHBondContact O-N 3.19Å; C112-S115 WeakPolarHBondContact CA-OG 3.5Å; C112-S115 PolarHBondContact O-N 2.95Å; C112-S115 PolarHBondContact O-OG 3.35Å; C112-N116 WeakPolarHBondContact O-CB 3.31Å; C112-N116 PolarHBondContact O-N 3.2Å; C112-N116 VanDerWaalsContact O-N 3.09Å; C112-N116 PolarHBondContact O-ND2 3.36Å
113I64.4Low64.7Low49 Ų4979.5 Ų79.525%0.25146%0.456SS..Hα-helixtrans-62.6-50.3176.6-69.3165.9000109.6V109 T110 S115 N116 V117 Y188V109-I113 HydrophobicContact CG1-CD1 3.87Å; V109-I113 WeakPolarHBondContact O-CG1 3.47Å; V109-I113 PolarHBondContact O-N 3.43Å; T110-I113 PolarHBondContact O-N 2.62Å; I113-S115 VanDerWaalsContact C-N 3.35Å; I113-S115 PolarHBondContact O-N 3.49Å; I113-N116 PolarHBondContact O-N 3.33Å; I113-V117 WeakPolarHBondContact O-CG2 3.3Å; I113-V117 PolarHBondContact O-N 2.97Å; I113-Y188 HydrophobicContact CG2-CD1 4.32Å; I113-Y188 HydrophobicContact CG2-CE1 4.2Å
114L63Low61.9Low42 Ų4282.4 Ų82.422%0.2248%0.482CS..Hα-helixtrans-58.2-43.2177.3-73.1172000112.4T110 G111 N116 V117 N118 Y188 E189T110-L114 HydrophobicContact CG2-CD1 4.09Å; T110-L114 WeakPolarHBondContact O-CB 3.48Å; T110-L114 WeakPolarHBondContact O-CG 3.38Å; T110-L114 PolarHBondContact O-N 2.72Å; G111-L114 PolarHBondContact O-N 2.65Å; L114-N116 VanDerWaalsContact C-N 3.34Å; L114-N116 PolarHBondContact O-N 3.21Å; L114-V117 PolarHBondContact O-N 2.84Å; L114-N118 WeakPolarHBondContact O-CB 3.26Å; L114-N118 PolarHBondContact O-N 3.4Å; L114-N118 VanDerWaalsContact O-N 3.16Å; L114-Y188 VanDerWaalsContact CD2-CB 3.44Å; L114-E189 HydrophobicContact CD2-CG 3.59Å
115S57.3Low59.1Low63 Ų6386.3 Ų86.344%0.44151%0.507SS..Hα-helixtrans-65.2-36.517863.90000113.1G111 C112 I113 T119G111-S115 PolarHBondContact O-N 3.49Å; G111-S115 PolarHBondContact O-OG 3.01Å; C112-S115 WeakPolarHBondContact CA-OG 3.5Å; C112-S115 PolarHBondContact O-N 2.95Å; C112-S115 PolarHBondContact O-OG 3.35Å; I113-S115 VanDerWaalsContact C-N 3.35Å; I113-S115 PolarHBondContact O-N 3.49Å; S115-T119 PolarHBondContact O-N 2.77Å
116N56.8Low56.6Low114 Ų11491.3 Ų91.361%0.6153%0.533SS*.Hα-helixtrans-75.9-30.9-179.4-67.9-18.4000112.8C112 I113 L114 T119C112-N116 WeakPolarHBondContact O-CB 3.31Å; C112-N116 PolarHBondContact O-N 3.2Å; C112-N116 VanDerWaalsContact O-N 3.09Å; C112-N116 PolarHBondContact O-ND2 3.36Å; I113-N116 PolarHBondContact O-N 3.33Å; L114-N116 VanDerWaalsContact C-N 3.34Å; L114-N116 PolarHBondContact O-N 3.21Å; N116-T119 PolarHBondContact O-OG1 2.77Å
117V57.2Low54Low99 Ų9992.8 Ų92.860%0.656%0.555SS**Hα-helixtrans-71-35.8174172.60000111.1I113 L114 T119I113-V117 WeakPolarHBondContact O-CG2 3.3Å; I113-V117 PolarHBondContact O-N 2.97Å; L114-V117 PolarHBondContact O-N 2.84Å; V117-T119 VanDerWaalsContact C-N 3.34Å; V117-T119 PolarHBondContact O-N 2.74Å
118N47.4Very low51.4Low104 Ų10495.9 Ų95.956%0.55657%0.571SS**SBendtrans-82.7-4.9-177.9-72.1-18000114.2L114 E189L114-N118 WeakPolarHBondContact O-CB 3.26Å; L114-N118 PolarHBondContact O-N 3.4Å; L114-N118 VanDerWaalsContact O-N 3.16Å; N118-E189 PolarHBondContact ND2-OE1 2.9Å
119T40.3Very low49Very low90 Ų9095.3 Ų95.355%0.55259%0.585SS**SBendtrans-86.8118.1167.943.20000111.4S115 N116 V117 S121S115-T119 PolarHBondContact O-N 2.77Å; N116-T119 PolarHBondContact O-OG1 2.77Å; V117-T119 VanDerWaalsContact C-N 3.34Å; V117-T119 PolarHBondContact O-N 2.74Å; T119-S121 PolarHBondContact O-N 3.27Å
120P40.3Very low46.7Very low112 Ų112101.4 Ų101.473%0.72761%0.61SS**  trans-65.4124.5177.125.8-33000111.1T122P120-T122 PolarHBondContact O-N 2.9Å
121S39.6Very low44.5Very low101 Ų101107 Ų10771%0.70664%0.638SS**  trans-66.488.6178.1-176.80000111.7T119 T123T119-S121 PolarHBondContact O-N 3.27Å; S121-T123 PolarHBondContact O-N 3.13Å; S121-T123 PolarHBondContact O-OG1 3.32Å; S121-T123 PolarHBondContact OG-OG1 3.13Å; S121-T123 VanDerWaalsContact OG-OG1 3.08Å
122T39.1Very low42.5Very low132 Ų132113.9 Ų113.981%0.8166%0.66SS**  trans-77.459.3166.537.80000111.2P120 P124P120-T122 PolarHBondContact O-N 2.9Å; T122-P124 VanDerWaalsContact O-CD 3.26Å; T122-P124 WeakPolarHBondContact O-CD 3.33Å
123T39.5Very low41Very low104 Ų104117.1 Ų117.164%0.63868%0.677SS**  trans-64.9116.2161.17.30000108.3S121 V125S121-T123 PolarHBondContact O-N 3.13Å; S121-T123 PolarHBondContact O-OG1 3.32Å; S121-T123 PolarHBondContact OG-OG1 3.13Å; S121-T123 VanDerWaalsContact OG-OG1 3.08Å; T123-V125 PolarHBondContact O-N 2.78Å; T123-V125 VanDerWaalsContact O-N 3.15Å
124P33.8Very low39.4Very low113 Ų113119.6 Ų119.673%0.73470%0.697SS**  trans-68.4116175.6-13.128.6000108.4T122 I126T122-P124 VanDerWaalsContact O-CD 3.26Å; T122-P124 WeakPolarHBondContact O-CD 3.33Å; P124-I126 PolarHBondContact O-N 3.35Å
125V33.2Very low37.8Very low141 Ų141123.9 Ų123.986%0.85573%0.727SS**  trans-67.2108168.9178.20000107.2T123 G127T123-V125 PolarHBondContact O-N 2.78Å; T123-V125 VanDerWaalsContact O-N 3.15Å; V125-G127 PolarHBondContact O-N 2.97Å
126I37.8Very low36.3Very low162 Ų162127.2 Ų127.283%0.83174%0.739SS**  trans-68.297.3175.1-63.3174.8000107.6P124P124-I126 PolarHBondContact O-N 3.35Å
127G31.7Very low34.9Very low59 Ų59130.4 Ų130.461%0.60874%0.743SS**PPolyproline II helixtrans-64.8147.2173.200000111.6V125V125-G127 PolarHBondContact O-N 2.97Å
128Q30.9Very low33.4Very low185 Ų185132.9 Ų132.986%0.86475%0.749SS**PPolyproline II helixtrans-61.2151.1176.3-72.1175.5-39.800111.8Q130Q128-Q130 PolarHBondContact O-N 2.87Å
129P31.2Very low32.5Very low121 Ų121134 Ų13479%0.78676%0.755SS**PPolyproline II helixtrans-71.6124.7-170.627.6-33.9000112.3
130Q29.5Very low32Very low181 Ų181136.5 Ų136.585%0.84676%0.76SS**PPolyproline II helixtrans-83.8123.9164.4-75.2-169.6-21.400110.2Q128 Q132Q128-Q130 PolarHBondContact O-N 2.87Å; Q130-Q132 PolarHBondContact O-N 2.82Å
131N30.4Very low31.5Very low163 Ų163137.1 Ų137.187%0.87276%0.757SS**PPolyproline II helixtrans-64.1124.7171.8-78.2-29.4000111
132Q28.9Very low31Very low184 Ų184139.7 Ų139.786%0.8676%0.762SS**  trans-133.6139.7151.3-67.9-166.87.500109.8Q130Q130-Q132 PolarHBondContact O-N 2.82Å
133T28.1Very low30.4Very low140 Ų140141 Ų14186%0.85976%0.761SS**PPolyproline II helixtrans-83.1157.9-16717.50000113.5
134P32.3Very low29.7Very low102 Ų102141.5 Ų141.566%0.66276%0.76SS**PPolyproline II helixtrans-92.9161.1-169.537.3-36.2000113.9
135P28.3Very low29.4Very low131 Ų131143.2 Ų143.285%0.85176%0.758SS**PPolyproline II helixtrans-79.4144.2157.3-3.322000111.7
136I26.1Very low29.1Very low134 Ų134145.1 Ų145.169%0.68776%0.755SS**  trans-109.9141.6172.7-29.2-179.5000104.6
137Y26.7Very low28.6Very low180 Ų180143.8 Ų143.871%0.70676%0.757SS**  -177.4154.160.9-121.8-60.8000112.2
138Q26.6Very low28.3Very low152 Ų152147.3 Ų147.371%0.7177%0.766SS**  trans57.7137.2153.3-83.1142.8-6.900118
139D27.1Very low28.2Very low128 Ų128143 Ų14368%0.68476%0.763SS**  cis-159.4-1798-132-23.2000107.3
140H30.6Very low28.1Very low142 Ų142144.4 Ų144.466%0.65776%0.762SS**  cis-153.9-174.310.8-157.753.3000113.1
141N29.9Very low28.1Very low124 Ų124145.6 Ų145.666%0.66377%0.765SS**  trans-54.8150.5171.1-59.3-54.6000113.2
142N28.2Very low27.9Very low155 Ų155144.6 Ų144.683%0.82976%0.764SS**  -164.8178.555.9-158.83.8000114.3
143M27.5Very low27.8Very low159 Ų159148.2 Ų148.278%0.78377%0.77SS**  trans-84.9131.6-159.4-82.1-75.813200118.3
144N25.5Very low27.7Very low115 Ų115144.2 Ų144.262%0.61576%0.756SS**  80.6130.4115.6-146.819.4000123.9
145H27.4Very low27.4Very low150 Ų150148.6 Ų148.669%0.69477%0.765SS**  trans75.5122149.5-79.1-20.7000125.6
146K25.4Very low27.3Very low181 Ų181149 Ų14979%0.78776%0.758SS**  trans72.3116142.3-67.7-178.6-180-179.80120.2
147P27.2Very low27.3Very low133 Ų133147.2 Ų147.286%0.86476%0.758SS**PPolyproline II helixtrans-90.3125.4152.932.2-25.8000111.7
148T26.8Very low27.4Very low133 Ų133147.7 Ų147.782%0.81677%0.767SS**PPolyproline II helixtrans-76.5149.5165.8-63.50000110.2
149A29.2Very low27.5Very low95 Ų95146 Ų14679%0.78577%0.772SS**PPolyproline II helixtrans-65.5137178.800000113.2
150I28.2Very low27.8Very low151 Ų151149 Ų14977%0.77479%0.787SS**  trans-133.7127.5163.2-65.9-175.4000109.4V152I150-V152 HydrophobicContact CG2-CG2 4.32Å
151K29.6Very low27.8Very low206 Ų206144.9 Ų144.990%0.89678%0.782SS**  trans-75.1138.4166.8-70175.8175.1176.80109.4
152V26.8Very low28.1Very low141 Ų141148.7 Ų148.786%0.85579%0.793SS**  trans-127.8132.5162.7177.90000109.1I150I150-V152 HydrophobicContact CG2-CG2 4.32Å
153W26Very low28.3Very low261 Ų261149 Ų14999%0.98979%0.793SS**  trans-132.4131.5174.8-17142.1000109.1
154G26.4Very low28.3Very low56 Ų56146.3 Ų146.358%0.57779%0.789SS**  trans159.5101-177.300000108.7
155K26.7Very low28.7Very low193 Ų193147 Ų14784%0.83980%0.801SS**  65.912698.7-71.8-173.6174.3-176.10112.2
156I26.1Very low28.9Very low139 Ų139145.8 Ų145.871%0.71380%0.804SS**  cis-163.1156.416.6-116.6160.9000111.7
157S26Very low29.3Very low97 Ų97147.9 Ų147.968%0.67881%0.807SS**  trans60.4148.2156.7660000124.7
158E28.8Very low29.5Very low191 Ų191147.2 Ų147.289%0.89380%0.802SS**  trans75.170.5152.3-75.3173.3-162.900120.2
159S28.4Very low29.5Very low116 Ų116148 Ų14881%0.81180%0.802SS**  -157.3108.7121.7-173.20000111G161S159-G161 PolarHBondContact O-N 2.89Å
160L33.8Very low29.6Very low191 Ų191151.5 Ų151.5100%180%0.804SS**  trans-79.266.9172.9-93.3163.2000110.5
161G29.9Very low29.8Very low55 Ų55151 Ų15157%0.56780%0.798SS**  trans-98.198.917900000113.2S159S159-G161 PolarHBondContact O-N 2.89Å
162K37.3Very low30Very low205 Ų205152.1 Ų152.189%0.89180%0.797SS**  trans43.181.5156.2-65.3177.8178.1176.30116.6C164K162-C164 PolarHBondContact O-N 3.36Å
163I31.1Very low30.1Very low161 Ų161153.1 Ų153.183%0.82679%0.79SS**  trans-69.1110.4162.4-75.8173.7000110
164C27.6Very low30.5Very low102 Ų102146.1 Ų146.169%0.68978%0.776SS**  trans40.676144.5-58.70000119.6K162 V166K162-C164 PolarHBondContact O-N 3.36Å; C164-V166 HydrophobicContact CB-CG2 4.22Å; C164-V166 PolarHBondContact O-N 2.94Å
165C33.4Very low31.2Very low131 Ų131150.7 Ų150.789%0.88578%0.781SS**  trans-88.878.3140.5-67.80000108.8R167C165-R167 VanDerWaalsContact C-N 3.33Å; C165-R167 PolarHBondContact O-N 2.74Å
166V33.1Very low31.8Very low124 Ų124146.4 Ų146.475%0.75277%0.77SS**  trans-71.194.4171.2-177.40000107.4C164C164-V166 HydrophobicContact CB-CG2 4.22Å; C164-V166 PolarHBondContact O-N 2.94Å
167R33.8Very low32.4Very low225 Ų225144.5 Ų144.585%0.84976%0.762SS**  trans-54.6132.8162.7-86.5-179.1168.7166.2-4.2107.5C165 N169C165-R167 VanDerWaalsContact C-N 3.33Å; C165-R167 PolarHBondContact O-N 2.74Å; R167-N169 PolarHBondContact O-N 2.71Å
168P29.7Very low33.1Very low118 Ų118148.8 Ų148.877%0.76677%0.771SS**  trans-51.3137.2167.5-24.634.2000109.2M170P168-M170 VanDerWaalsContact C-N 3.34Å; P168-M170 PolarHBondContact O-N 2.7Å
169N28Very low33.6Very low151 Ų151146.3 Ų146.381%0.80776%0.764SS**  trans-64.897.9176.2-171.922.4000107.7R167 E171R167-N169 PolarHBondContact O-N 2.71Å; N169-E171 PolarHBondContact O-N 3.06Å
170M31.4Very low34.5Very low168 Ų168143.3 Ų143.383%0.82875%0.746SS**  trans-69.3104.3175.3-173.815868.600106.5P168 R172P168-M170 VanDerWaalsContact C-N 3.34Å; P168-M170 PolarHBondContact O-N 2.7Å; M170-R172 PolarHBondContact O-N 2.91Å
171E31.6Very low34.8Very low140 Ų140141.6 Ų141.665%0.65474%0.737SS**  trans-51.3130.5178.9-70.5-171.2152.800109.1N169 F173N169-E171 PolarHBondContact O-N 3.06Å; E171-F173 HydrophobicContact CB-CE2 4.31Å; E171-F173 VanDerWaalsContact O-CD2 3.24Å; E171-F173 WeakPolarHBondContact O-CD2 3.49Å; E171-F173 PolarHBondContact O-N 2.75Å
172R33.3Very low35.7Very low229 Ų229142.6 Ų142.686%0.86473%0.729SS**  trans-74.679.3-174.5-172.4-176.6-168.9175.92.8108M170 T174M170-R172 PolarHBondContact O-N 2.91Å; R172-T174 VanDerWaalsContact C-N 3.32Å; R172-T174 PolarHBondContact O-N 2.85Å
173F30.5Very low35.8Very low163 Ų163135.1 Ų135.172%0.71571%0.711SS**  trans-57.997172.1-73.6-77.5000108.8E171 F175E171-F173 HydrophobicContact CB-CE2 4.31Å; E171-F173 VanDerWaalsContact O-CD2 3.24Å; E171-F173 WeakPolarHBondContact O-CD2 3.49Å; E171-F173 PolarHBondContact O-N 2.75Å; F173-F175 WeakPolarHBondContact O-CD2 3.32Å; F173-F175 PolarHBondContact O-N 2.97Å; F173-F175 VanDerWaalsContact O-N 3.15Å
174T33.8Very low36.3Very low113 Ų113134.1 Ų134.169%0.69371%0.712SS**  trans-71.6105174.6410000108R172 V176R172-T174 VanDerWaalsContact C-N 3.32Å; R172-T174 PolarHBondContact O-N 2.85Å; T174-V176 VanDerWaalsContact C-N 3.31Å; T174-V176 PolarHBondContact O-N 3.2Å
175F40.2Very low36.9Very low153 Ų153135.6 Ų135.667%0.67172%0.718SS**  trans-65.788.1172.4-80.3-99.1000110.5F173F173-F175 WeakPolarHBondContact O-CD2 3.32Å; F173-F175 PolarHBondContact O-N 2.97Å; F173-F175 VanDerWaalsContact O-N 3.15Å
176V39.4Very low37.4Very low102 Ų102132.9 Ų132.962%0.61870%0.698SS**  trans-142.7125.4158.3-169.40000107T174 E178T174-V176 VanDerWaalsContact C-N 3.31Å; T174-V176 PolarHBondContact O-N 3.2Å; V176-E178 PolarHBondContact O-N 2.84Å
177D39.3Very low38.3Very low100 Ų100135 Ų13554%0.53569%0.692SS.*  trans-79.6110.4161.6172.615.2000107.3N179 A180D177-N179 PolarHBondContact O-N 2.78Å; D177-N179 VanDerWaalsContact O-N 3.14Å; D177-N179 WeakPolarHBondContact OD1-CA 3.41Å; D177-N179 WeakPolarHBondContact OD1-CB 3.42Å; D177-N179 PolarHBondContact OD1-N 3.42Å; D177-A180 HydrophobicContact CB-CB 3.96Å; D177-A180 WeakPolarHBondContact O-CB 3.44Å; D177-A180 PolarHBondContact O-N 3.07Å; D177-A180 PolarHBondContact OD2-N 3.25Å
178E40.2Very low39.1Very low187 Ų187129.5 Ų129.587%0.87467%0.672SS**THydrogen-bonded Turntrans-63.4-15.2178.4-64.4-174148.700112.7V176V176-E178 PolarHBondContact O-N 2.84Å
179N38.9Very low40.2Very low139 Ų139129.4 Ų129.474%0.74366%0.661SS**THydrogen-bonded Turntrans-100.13.6175.5-59.9-66.1000113.8D177 N181D177-N179 PolarHBondContact O-N 2.78Å; D177-N179 VanDerWaalsContact O-N 3.14Å; D177-N179 WeakPolarHBondContact OD1-CA 3.41Å; D177-N179 WeakPolarHBondContact OD1-CB 3.42Å; D177-N179 PolarHBondContact OD1-N 3.42Å; N179-N181 PolarHBondContact O-N 2.79Å
180A47.5Very low41.8Very low52 Ų52128.8 Ų128.843%0.4365%0.654SS.*  trans-71.475.416900000109.5D177 L182D177-A180 HydrophobicContact CB-CB 3.96Å; D177-A180 WeakPolarHBondContact O-CB 3.44Å; D177-A180 PolarHBondContact O-N 3.07Å; D177-A180 PolarHBondContact OD2-N 3.25Å; A180-L182 HydrophobicContact CB-CD1 4.17Å; A180-L182 PolarHBondContact O-N 2.96Å
181N40.2Very low43.7Very low155 Ų155122.8 Ų122.883%0.82962%0.624SS**  trans-74.467.1-175.5-155.5-3.2000110.1N179 G183N179-N181 PolarHBondContact O-N 2.79Å; N181-G183 PolarHBondContact O-N 2.69Å
182L49.5Very low46.2Very low76 Ų76120.5 Ų120.540%0.39861%0.614SS.*  trans-62.2101.3166-87.174.9000106.5A180 I191A180-L182 HydrophobicContact CB-CD1 4.17Å; A180-L182 PolarHBondContact O-N 2.96Å; L182-I191 HydrophobicContact CD2-CD1 3.89Å
183G38.6Very low48.8Very low48 Ų48112 Ų11250%0.49559%0.585SS.*  trans-48.6141.7-177.900000111.8N181 T185N181-G183 PolarHBondContact O-N 2.69Å; G183-T185 PolarHBondContact O-N 3.21Å
184T41.5Very low51.9Low140 Ų140107.2 Ų107.286%0.85956%0.562SS**SBendtrans-44121.8-174.339.90000112.7
185T40.4Very low54.9Low134 Ų134102 Ų10282%0.82253%0.53SS*.  trans93.838.2176.1-260000117.5G183G183-T185 PolarHBondContact O-N 3.21Å
186V44.3Very low57.7Low74 Ų7494.9 Ų94.945%0.44850%0.499SS..  trans-95.3120.1149.5-176.80000108.5I191V186-I191 HydrophobicContact CG1-CD1 4Å; V186-I191 HydrophobicContact CG1-CG1 3.83Å
187R52.8Low60.5Low168 Ų16890.1 Ų90.163%0.63447%0.47SS*.  trans-78.4130.4169.2-63.9-173.5-172.9-167.95.4108.3E189 E190R187-E189 PolarHBondContact O-N 3.5Å; R187-E190 PolarHBondContact O-N 3.13Å
188Y50.2Low63.3Low109 Ų10985.3 Ų85.343%0.42745%0.445SS..G310 helixtrans-55.5-22.1177.8-84.9-89.6000113.6I113 L114 E190 I191I113-Y188 HydrophobicContact CG2-CD1 4.32Å; I113-Y188 HydrophobicContact CG2-CE1 4.2Å; L114-Y188 VanDerWaalsContact CD2-CB 3.44Å; Y188-E190 PolarHBondContact O-N 3.21Å; Y188-I191 HydrophobicContact CD1-CD1 4.13Å
189E52.7Low66Low116 Ų11676.6 Ų76.654%0.54240%0.404SS..G310 helixtrans-70.1-13.6178.7-61.3171.5159.800113.6L114 N118 R187L114-E189 HydrophobicContact CD2-CG 3.59Å; N118-E189 PolarHBondContact ND2-OE1 2.9Å; R187-E189 PolarHBondContact O-N 3.5Å
190E60.7Low68.7Low138 Ų13870.2 Ų70.265%0.64537%0.371SS*.G310 helixtrans-108.72.5-177.7-64.5177.6169.800113.7R187 Y188 E192R187-E190 PolarHBondContact O-N 3.13Å; Y188-E190 PolarHBondContact O-N 3.21Å; E190-E192 PolarHBondContact O-N 3.28Å
191I71.6Confident70.8Confident42 Ų4267.8 Ų67.822%0.21535%0.351CS..  trans-84.3104.6-176.7-59.3179.8000110.4H8 L182 V186 Y188 L193H8-I191 HydrophobicContact CB-CG2 3.96Å; L182-I191 HydrophobicContact CD2-CD1 3.89Å; V186-I191 HydrophobicContact CG1-CD1 4Å; V186-I191 HydrophobicContact CG1-CG1 3.83Å; Y188-I191 HydrophobicContact CD1-CD1 4.13Å; I191-L193 PolarHBondContact O-N 3.33Å; I191-L193 VanDerWaalsContact O-N 3.14Å
192E84.8Confident73.2Confident92 Ų9265 Ų6543%0.4334%0.336SS..  trans-68.4107.1166.9-170.7-159.8174.800109.4T7 H8 E190 R194T7-E192 WeakPolarHBondContact CB-OE2 3.44Å; T7-E192 HydrophobicContact CG2-CB 4.48Å; T7-E192 VanDerWaalsContact CG2-CD 3.45Å; T7-E192 HydrophobicContact CG2-CG 4.05Å; T7-E192 WeakPolarHBondContact CG2-OE2 3.47Å; T7-E192 PolarHBondContact OG1-OE2 3.41Å; H8-E192 PolarHBondContact N-O 2.94Å; E190-E192 PolarHBondContact O-N 3.28Å; E192-R194 WeakPolarHBondContact OE1-CD 3.37Å
193L89Confident75.4Confident51 Ų5163 Ų6327%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-108.5125.8177.9177.660000111.5H8 I44 M106 I191H8-L193 HydrophobicContact CB-CD1 4.13Å; H8-L193 WeakPolarHBondContact O-CA 3.42Å; I44-L193 HydrophobicContact CD1-CD1 3.72Å; I44-L193 HydrophobicContact CG1-CD1 4.39Å; M106-L193 HydrophobicContact CB-CD2 4.3Å; M106-L193 HydrophobicContact CE-CD2 4.03Å; M106-L193 HydrophobicContact CE-CG 3.84Å; M106-L193 HydrophobicContact CG-CD2 4.44Å; M106-L193 HydrophobicContact SD-CD1 4.35Å; M106-L193 HydrophobicContact SD-CD2 3.78Å; M106-L193 HydrophobicContact SD-CG 3.98Å; I191-L193 PolarHBondContact O-N 3.33Å; I191-L193 VanDerWaalsContact O-N 3.14Å
194R93.8Very high78.1Confident62 Ų6260.7 Ų60.723%0.23430%0.302CS..EExtended strand (participates in β ladder)trans-125.8152.8177.7-68.4179.360.4-176.5-4.6112.2T7 H8 V9 I10 E192 F225 N253T7-R194 HydrophobicContact CG2-CB 4.41Å; T7-R194 HydrophobicContact CG2-CG 4.1Å; H8-R194 PolarHBondContact O-N 2.93Å; V9-R194 CarbonylContact C-O 3.59Å; V9-R194 WeakPolarHBondContact CA-O 3.37Å; I10-R194 PolarHBondContact N-O 3.03Å; E192-R194 WeakPolarHBondContact OE1-CD 3.37Å; R194-F225 PolarHBondContact NH2-O 3.27Å; R194-N253 PolarHBondContact NH2-OD1 3.48Å
195I97.1Very high80.6Confident4 Ų459 Ų592%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-100.8134.8160.8-69.9154.7000107.7I10 L12 L99 H102 R103 M106 F225I10-I195 HydrophobicContact CB-CG1 4.21Å; I10-I195 HydrophobicContact CG2-CG1 4.32Å; I10-I195 VanDerWaalsContact O-CA 3.31Å; I10-I195 WeakPolarHBondContact O-CA 3.4Å; L12-I195 HydrophobicContact CB-CG2 3.73Å; L12-I195 HydrophobicContact CD2-CG2 4.39Å; L99-I195 HydrophobicContact CD2-CG2 3.61Å; H102-I195 VanDerWaalsContact C-CD1 3.44Å; H102-I195 HydrophobicContact CB-CD1 3.51Å; R103-I195 HydrophobicContact CB-CD1 4.37Å; R103-I195 VanDerWaalsContact N-CD1 3.34Å; M106-I195 HydrophobicContact CE-CD1 3.53Å; M106-I195 HydrophobicContact CE-CG1 3.54Å; M106-I195 HydrophobicContact CG-CD1 4.32Å; M106-I195 HydrophobicContact SD-CD1 3.66Å; M106-I195 HydrophobicContact SD-CG1 3.57Å; M106-I195 VanDerWaalsContact SD-CG1 3.57Å; I195-F225 HydrophobicContact CB-CD1 4.14Å; I195-F225 HydrophobicContact CB-CE1 4.39Å; I195-F225 HydrophobicContact CG2-CD1 4.39Å
196L98.6Very high83.2Confident4 Ų453.6 Ų53.62%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-114139.4167.6-53.2-179.6000109.2V9 I10 L11 L12 L35 L198 F225 G226 V228V9-L196 HydrophobicContact CG1-CB 4.34Å; V9-L196 HydrophobicContact CG1-CD1 3.82Å; V9-L196 HydrophobicContact CG1-CG 3.8Å; V9-L196 HydrophobicContact CG2-CD1 4.22Å; V9-L196 HydrophobicContact CG2-CG 4.48Å; I10-L196 PolarHBondContact O-N 3.17Å; L11-L196 HydrophobicContact CD2-CB 4.22Å; L12-L196 PolarHBondContact N-O 2.91Å; L35-L196 HydrophobicContact CD1-CD1 4.41Å; L196-L198 PolarHBondContact O-N 3.22Å; L196-F225 WeakPolarHBondContact CD2-O 3.22Å; L196-G226 WeakPolarHBondContact CA-O 3.38Å; L196-V228 HydrophobicContact CB-CG2 3.89Å; L196-V228 HydrophobicContact CD1-CG2 3.55Å; L196-V228 HydrophobicContact CG-CG2 4.38Å
197L98.8Very high85.7Confident1 Ų150.5 Ų50.51%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-71.9121.1171.5178.664.8000109.2L12 T95 L99 L203 I221 G226 I227 V228L12-L197 CarbonylContact O-C 3.56Å; L12-L197 WeakPolarHBondContact O-CA 3.46Å; T95-L197 HydrophobicContact CG2-CD1 3.72Å; T95-L197 HydrophobicContact CG2-CD2 4.01Å; L99-L197 HydrophobicContact CD1-CB 4.28Å; L99-L197 HydrophobicContact CD2-CB 4.26Å; L197-L203 HydrophobicContact CD2-CD2 4.21Å; L197-I221 HydrophobicContact CD2-CG2 3.66Å; L197-G226 PolarHBondContact N-O 2.87Å; L197-I227 HydrophobicContact CB-CG1 4.27Å; L197-I227 HydrophobicContact CD2-CD1 4.24Å; L197-I227 HydrophobicContact CD2-CG1 4.42Å; L197-I227 CarbonylContact O-C 3.51Å; L197-I227 VanDerWaalsContact O-CA 3.32Å; L197-I227 WeakPolarHBondContact O-CA 3.45Å; L197-I227 WeakPolarHBondContact O-CG2 3.16Å; L197-V228 PolarHBondContact O-N 3.14Å
198L98.8Very high87.7Confident0 Ų044.8 Ų44.80%022%0.218CC..EExtended strand (participates in β ladder)trans-98.1120.6175.8174.463.7000110.5L11 L12 S13 M27 F28 A31 L196 V228 V230L11-L198 HydrophobicContact CB-CB 4.26Å; L11-L198 HydrophobicContact CB-CD2 4.3Å; L11-L198 HydrophobicContact CD1-CD2 4.35Å; L12-L198 PolarHBondContact O-N 2.85Å; S13-L198 WeakPolarHBondContact CB-O 3.37Å; S13-L198 PolarHBondContact OG-O 3.1Å; M27-L198 HydrophobicContact CE-CD2 4.48Å; M27-L198 HydrophobicContact CE-CG 4.2Å; M27-L198 HydrophobicContact CG-CD1 3.83Å; M27-L198 HydrophobicContact CG-CD2 4.16Å; M27-L198 HydrophobicContact CG-CG 3.95Å; M27-L198 HydrophobicContact SD-CG 4.37Å; F28-L198 HydrophobicContact CB-CD2 4.17Å; F28-L198 HydrophobicContact CD1-CD2 3.46Å; F28-L198 VanDerWaalsContact CD1-CD2 3.46Å; F28-L198 HydrophobicContact CD2-CD2 3.82Å; F28-L198 HydrophobicContact CE1-CD2 3.69Å; F28-L198 HydrophobicContact CE2-CD2 4.01Å; F28-L198 HydrophobicContact CG-CD2 3.53Å; F28-L198 HydrophobicContact CZ-CD2 3.96Å; A31-L198 HydrophobicContact CB-CD1 3.45Å; A31-L198 VanDerWaalsContact CB-CD1 3.45Å; A31-L198 HydrophobicContact CB-CD2 4.35Å; L196-L198 PolarHBondContact O-N 3.22Å; L198-V228 WeakPolarHBondContact CA-O 3.35Å; L198-V228 HydrophobicContact CD1-CB 4.15Å; L198-V228 HydrophobicContact CD1-CG1 4.23Å; L198-V230 HydrophobicContact CD1-CG2 4.01Å
199C97.3Very high89.9Confident3 Ų344 Ų442%0.0222%0.22CC..EExtended strand (participates in β ladder)trans-147.4167.8-179.275.20000114.5L203 V228 V229 V230C199-L203 HydrophobicContact CB-CB 3.75Å; C199-L203 HydrophobicContact CB-CD1 3.96Å; C199-L203 HydrophobicContact CB-CD2 3.97Å; C199-L203 HydrophobicContact CB-CG 4.1Å; C199-V228 PolarHBondContact N-O 3.43Å; C199-V229 WeakPolarHBondContact O-CA 3.3Å; C199-V230 PolarHBondContact O-N 3.41Å
200G94.4Very high91.8Very high5 Ų544.4 Ų44.45%0.05223%0.233CC..EExtended strand (participates in β ladder)trans-80.7174.6166.900000112.5D202 L203 L204 V230G200-D202 VanDerWaalsContact CA-OD1 3.29Å; G200-D202 WeakPolarHBondContact CA-OD1 3.33Å; G200-D202 PolarHBondContact O-N 3.19Å; G200-L203 PolarHBondContact O-N 3.23Å; G200-L204 PolarHBondContact O-N 3.43Å; G200-V230 WeakPolarHBondContact CA-O 3.41Å
201S91.6Very high93.4Very high2 Ų241.8 Ų41.81%0.01424%0.242CC..Hα-helixtrans-64.8-24.817343.90000113.4L204 E205 R232S201-L204 PolarHBondContact O-N 2.95Å; S201-E205 WeakPolarHBondContact O-CB 3.35Å; S201-E205 PolarHBondContact O-N 3.35Å; S201-R232 PolarHBondContact OG-N 3.4Å; S201-R232 PolarHBondContact OG-O 2.88Å
202D91.8Very high94.5Very high95 Ų9544.3 Ų44.351%0.50826%0.256SS..Hα-helixtrans-64-40.2175.653.6-30.3000112.9G200 S206G200-D202 VanDerWaalsContact CA-OD1 3.29Å; G200-D202 WeakPolarHBondContact CA-OD1 3.33Å; G200-D202 PolarHBondContact O-N 3.19Å; D202-S206 PolarHBondContact O-N 3.39Å
203L94.8Very high95.2Very high34 Ų3442.1 Ų42.118%0.17824%0.244CC..Hα-helixtrans-71.9-40.7173.1-168.3151000111.2L197 C199 G200 E205 S206 F207 W213L197-L203 HydrophobicContact CD2-CD2 4.21Å; C199-L203 HydrophobicContact CB-CB 3.75Å; C199-L203 HydrophobicContact CB-CD1 3.96Å; C199-L203 HydrophobicContact CB-CD2 3.97Å; C199-L203 HydrophobicContact CB-CG 4.1Å; G200-L203 PolarHBondContact O-N 3.23Å; L203-E205 VanDerWaalsContact C-N 3.32Å; L203-E205 PolarHBondContact O-N 2.94Å; L203-S206 WeakPolarHBondContact O-CB 3.41Å; L203-S206 PolarHBondContact O-N 3.45Å; L203-S206 VanDerWaalsContact O-N 3.1Å; L203-S206 PolarHBondContact O-OG 3Å; L203-F207 HydrophobicContact CD2-CE2 3.82Å; L203-F207 HydrophobicContact CD2-CZ 3.78Å; L203-W213 HydrophobicContact CD2-CH2 4.47Å; L203-W213 HydrophobicContact CD2-CZ2 4.25Å; L203-W213 HydrophobicContact CG-CZ2 4.35Å
204L95.3Very high95.6Very high0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-59.5-43.5176.6-174.676.4000111.4G200 S201 S206 F207 V229 T237 I240 M241 L247 I254G200-L204 PolarHBondContact O-N 3.43Å; S201-L204 PolarHBondContact O-N 2.95Å; L204-S206 VanDerWaalsContact C-N 3.27Å; L204-S206 PolarHBondContact O-N 3.39Å; L204-F207 HydrophobicContact CD1-CD2 4.22Å; L204-F207 HydrophobicContact CD1-CE2 4.48Å; L204-F207 WeakPolarHBondContact O-CB 3.39Å; L204-F207 WeakPolarHBondContact O-CD2 3.4Å; L204-F207 PolarHBondContact O-N 3.48Å; L204-V229 HydrophobicContact CB-CG1 4.39Å; L204-V229 HydrophobicContact CB-CG2 4.4Å; L204-V229 HydrophobicContact CD1-CG2 3.99Å; L204-V229 HydrophobicContact CD2-CG1 4.23Å; L204-V229 HydrophobicContact CD2-CG2 4.15Å; L204-V229 HydrophobicContact CG-CG2 4.4Å; L204-T237 HydrophobicContact CD2-CG2 4.06Å; L204-I240 HydrophobicContact CD2-CB 4.25Å; L204-I240 HydrophobicContact CD2-CG2 3.95Å; L204-I240 HydrophobicContact CG-CG2 3.83Å; L204-M241 HydrophobicContact CD2-CG 4.4Å; L204-L247 HydrophobicContact CD1-CD1 4.25Å; L204-L247 HydrophobicContact CD1-CD2 4.47Å; L204-I254 HydrophobicContact CD1-CG2 4.39Å
205E94.7Very high95.7Very high106 Ų10648.2 Ų48.250%0.49528%0.275SS..Hα-helixtrans-63.7-33.5175.9-170.7166.7-14400112.1S201 L203 F207 C208 I240S201-E205 WeakPolarHBondContact O-CB 3.35Å; S201-E205 PolarHBondContact O-N 3.35Å; L203-E205 VanDerWaalsContact C-N 3.32Å; L203-E205 PolarHBondContact O-N 2.94Å; E205-F207 PolarHBondContact O-N 2.92Å; E205-C208 WeakPolarHBondContact O-CB 3.43Å; E205-C208 PolarHBondContact O-N 3.12Å; E205-I240 HydrophobicContact CB-CD1 3.82Å; E205-I240 HydrophobicContact CB-CG1 4.37Å; E205-I240 HydrophobicContact CG-CD1 4.3Å; E205-I240 HydrophobicContact CG-CG1 4.44Å
206S95.4Very high95.8Very high20 Ų2051.6 Ų51.614%0.1430%0.299CS..Hα-helixtrans-62.1-25.3178.984.40000113.8D202 L203 L204 C208 I209 W213D202-S206 PolarHBondContact O-N 3.39Å; L203-S206 WeakPolarHBondContact O-CB 3.41Å; L203-S206 PolarHBondContact O-N 3.45Å; L203-S206 VanDerWaalsContact O-N 3.1Å; L203-S206 PolarHBondContact O-OG 3Å; L204-S206 VanDerWaalsContact C-N 3.27Å; L204-S206 PolarHBondContact O-N 3.39Å; S206-C208 PolarHBondContact O-N 3.48Å; S206-I209 WeakPolarHBondContact O-CB 3.39Å; S206-I209 PolarHBondContact O-N 2.96Å; S206-W213 PolarHBondContact O-NE1 2.86Å; S206-W213 PolarHBondContact OG-NE1 3.02Å
207F96.2Very high95.8Very high9 Ų952.5 Ų52.54%0.03930%0.304CS..THydrogen-bonded Turntrans-63.9-15.3172-69.3-52.1000113.8L203 L204 E205 W213 M218 I221 I227 L247L203-F207 HydrophobicContact CD2-CE2 3.82Å; L203-F207 HydrophobicContact CD2-CZ 3.78Å; L204-F207 HydrophobicContact CD1-CD2 4.22Å; L204-F207 HydrophobicContact CD1-CE2 4.48Å; L204-F207 WeakPolarHBondContact O-CB 3.39Å; L204-F207 WeakPolarHBondContact O-CD2 3.4Å; L204-F207 PolarHBondContact O-N 3.48Å; E205-F207 PolarHBondContact O-N 2.92Å; F207-W213 HydrophobicContact CD1-CB 4.45Å; F207-W213 AromaticContact CD1-CD1 3.86Å; F207-W213 AromaticContact CD1-CD2 3.6Å; F207-W213 HydrophobicContact CD1-CD2 3.6Å; F207-W213 AromaticContact CD1-CE2 3.65Å; F207-W213 HydrophobicContact CD1-CE3 4.12Å; F207-W213 AromaticContact CD1-CG 3.74Å; F207-W213 HydrophobicContact CD1-CG 3.74Å; F207-W213 HydrophobicContact CD1-CZ2 4.22Å; F207-W213 AromaticContact CD1-NE1 3.79Å; F207-W213 AromaticContact CE1-CD2 3.59Å; F207-W213 HydrophobicContact CE1-CD2 3.59Å; F207-W213 AromaticContact CE1-CE2 3.64Å; F207-W213 AromaticContact CE1-CE3 3.66Å; F207-W213 HydrophobicContact CE1-CE3 3.66Å; F207-W213 HydrophobicContact CE1-CG 4.23Å; F207-W213 AromaticContact CE1-CH2 3.86Å; F207-W213 HydrophobicContact CE1-CH2 3.86Å; F207-W213 AromaticContact CE1-CZ2 3.79Å; F207-W213 HydrophobicContact CE1-CZ2 3.79Å; F207-W213 AromaticContact CE1-CZ3 3.8Å; F207-W213 HydrophobicContact CE1-CZ3 3.8Å; F207-W213 HydrophobicContact CZ-CH2 4.36Å; F207-W213 HydrophobicContact CZ-CZ2 4.38Å; F207-M218 HydrophobicContact CB-CE 3.72Å; F207-M218 HydrophobicContact CB-SD 4.31Å; F207-M218 HydrophobicContact CD1-CE 4.1Å; F207-M218 HydrophobicContact CD1-CG 3.77Å; F207-M218 HydrophobicContact CD1-SD 4.01Å; F207-M218 HydrophobicContact CE1-CG 4.15Å; F207-M218 HydrophobicContact CG-CE 4.13Å; F207-I221 HydrophobicContact CZ-CG2 4.21Å; F207-I227 HydrophobicContact CE2-CD1 3.47Å; F207-I227 VanDerWaalsContact CE2-CD1 3.47Å; F207-I227 HydrophobicContact CZ-CD1 3.83Å; F207-L247 HydrophobicContact CB-CD1 4.15Å; F207-L247 HydrophobicContact CB-CD2 4.4Å; F207-L247 HydrophobicContact CD2-CD2 4.02Å; F207-L247 HydrophobicContact CG-CD2 4.4Å
208C94.6Very high95.7Very high47 Ų4752.7 Ų52.732%0.31831%0.305SS..THydrogen-bonded Turntrans-92.7-0175.1-64.10000112.9E205 S206 P210E205-C208 WeakPolarHBondContact O-CB 3.43Å; E205-C208 PolarHBondContact O-N 3.12Å; S206-C208 PolarHBondContact O-N 3.48Å; C208-P210 WeakPolarHBondContact O-CD 3.43Å
209I95.5Very high95.7Very high92 Ų9255.4 Ų55.447%0.47232%0.317SS..SBendtrans-85.2115.4178.6-59.8175.8000109.3S206 G211 L212S206-I209 WeakPolarHBondContact O-CB 3.39Å; S206-I209 PolarHBondContact O-N 2.96Å; I209-G211 PolarHBondContact O-N 3.03Å; I209-L212 HydrophobicContact CB-CB 3.96Å; I209-L212 HydrophobicContact CB-CD2 3.98Å; I209-L212 HydrophobicContact CD1-CD2 3.83Å; I209-L212 HydrophobicContact CG1-CD2 4.41Å; I209-L212 HydrophobicContact CG2-CB 3.88Å; I209-L212 HydrophobicContact CG2-CD2 4.22Å; I209-L212 PolarHBondContact O-N 3.22Å
210P93.8Very high95.7Very high126 Ų12656.8 Ų56.882%0.81833%0.326SS*.THydrogen-bonded Turntrans-59129.7-176.5-25.235.4000112.7C208 L212C208-P210 WeakPolarHBondContact O-CD 3.43Å; P210-L212 PolarHBondContact O-N 3.38Å
211G93.9Very high95.9Very high82 Ų8256.6 Ų56.685%0.84532%0.324SS*.THydrogen-bonded Turntrans75.6-3.617700000115.9I209I209-G211 PolarHBondContact O-N 3.03Å
212L95.8Very high96.2Very high96 Ų9656.5 Ų56.550%0.50332%0.323SS..THydrogen-bonded Turntrans-74.8-36.4174.6-178.961.5000112I209 P210I209-L212 HydrophobicContact CB-CB 3.96Å; I209-L212 HydrophobicContact CB-CD2 3.98Å; I209-L212 HydrophobicContact CD1-CD2 3.83Å; I209-L212 HydrophobicContact CG1-CD2 4.41Å; I209-L212 HydrophobicContact CG2-CB 3.88Å; I209-L212 HydrophobicContact CG2-CD2 4.22Å; I209-L212 PolarHBondContact O-N 3.22Å; P210-L212 PolarHBondContact O-N 3.38Å
213W97.4Very high96.5Very high46 Ų4652.9 Ų52.917%0.17431%0.308CS..SBendtrans-117.3150.6176.8-6488.2000109.9L203 S206 F207 M218 I221L203-W213 HydrophobicContact CD2-CH2 4.47Å; L203-W213 HydrophobicContact CD2-CZ2 4.25Å; L203-W213 HydrophobicContact CG-CZ2 4.35Å; S206-W213 PolarHBondContact O-NE1 2.86Å; S206-W213 PolarHBondContact OG-NE1 3.02Å; F207-W213 HydrophobicContact CD1-CB 4.45Å; F207-W213 AromaticContact CD1-CD1 3.86Å; F207-W213 AromaticContact CD1-CD2 3.6Å; F207-W213 HydrophobicContact CD1-CD2 3.6Å; F207-W213 AromaticContact CD1-CE2 3.65Å; F207-W213 HydrophobicContact CD1-CE3 4.12Å; F207-W213 AromaticContact CD1-CG 3.74Å; F207-W213 HydrophobicContact CD1-CG 3.74Å; F207-W213 HydrophobicContact CD1-CZ2 4.22Å; F207-W213 AromaticContact CD1-NE1 3.79Å; F207-W213 AromaticContact CE1-CD2 3.59Å; F207-W213 HydrophobicContact CE1-CD2 3.59Å; F207-W213 AromaticContact CE1-CE2 3.64Å; F207-W213 AromaticContact CE1-CE3 3.66Å; F207-W213 HydrophobicContact CE1-CE3 3.66Å; F207-W213 HydrophobicContact CE1-CG 4.23Å; F207-W213 AromaticContact CE1-CH2 3.86Å; F207-W213 HydrophobicContact CE1-CH2 3.86Å; F207-W213 AromaticContact CE1-CZ2 3.79Å; F207-W213 HydrophobicContact CE1-CZ2 3.79Å; F207-W213 AromaticContact CE1-CZ3 3.8Å; F207-W213 HydrophobicContact CE1-CZ3 3.8Å; F207-W213 HydrophobicContact CZ-CH2 4.36Å; F207-W213 HydrophobicContact CZ-CZ2 4.38Å; W213-M218 HydrophobicContact CB-CG 3.79Å; W213-M218 HydrophobicContact CB-SD 3.65Å; W213-M218 HydrophobicContact CG-CG 4.42Å; W213-M218 HydrophobicContact CG-SD 4.4Å; W213-I221 HydrophobicContact CE3-CD1 4.23Å; W213-I221 HydrophobicContact CZ3-CD1 3.8Å
214K97.7Very high96.5Very high132 Ų13256.2 Ų56.257%0.57433%0.326SS*.  trans-85.5132.4167.5-63.3173.6-177.1169.80108.7S216 D217 M218K214-S216 PolarHBondContact O-N 2.88Å; K214-S216 VanDerWaalsContact O-N 3.17Å; K214-D217 HydrophobicContact CB-CB 4.19Å; K214-D217 WeakPolarHBondContact CD-OD1 3.5Å; K214-D217 PolarHBondContact O-N 2.94Å; K214-M218 PolarHBondContact O-N 3.28Å
215D97.3Very high96.7Very high109 Ų10956.4 Ų56.458%0.58333%0.327SS*.Hα-helixtrans-53.7-36.4175.5-67.619.2000112.3M218 E219 I246D215-M218 PolarHBondContact O-N 2.89Å; D215-E219 WeakPolarHBondContact O-CB 3.25Å; D215-E219 VanDerWaalsContact O-CG 3.23Å; D215-E219 WeakPolarHBondContact O-CG 3.31Å; D215-E219 PolarHBondContact O-N 3.43Å; D215-I246 HydrophobicContact CB-CD1 3.76Å
216S97.9Very high96.8Very high75 Ų7551.4 Ų51.452%0.52430%0.304SS..Hα-helixtrans-61.8-45.1174.555.40000113.3K214 M218 V220K214-S216 PolarHBondContact O-N 2.88Å; K214-S216 VanDerWaalsContact O-N 3.17Å; S216-M218 VanDerWaalsContact C-N 3.34Å; S216-V220 WeakPolarHBondContact O-CG2 3.14Å; S216-V220 PolarHBondContact O-N 3.22Å
217D98.3Very high96.9Very high22 Ų2250.4 Ų50.412%0.11830%0.297CS..Hα-helixtrans-68.7-39.1178.8-69.944000109.1T94 C96 K214 V220 I221T94-D217 WeakPolarHBondContact CB-OD2 3.42Å; T94-D217 PolarHBondContact OG1-OD2 3.17Å; C96-D217 HydrophobicContact CB-CB 3.83Å; K214-D217 HydrophobicContact CB-CB 4.19Å; K214-D217 WeakPolarHBondContact CD-OD1 3.5Å; K214-D217 PolarHBondContact O-N 2.94Å; D217-V220 PolarHBondContact O-N 3.4Å; D217-I221 WeakPolarHBondContact O-CB 3.31Å; D217-I221 WeakPolarHBondContact O-CD1 3.39Å; D217-I221 WeakPolarHBondContact O-CG1 3.41Å; D217-I221 PolarHBondContact O-N 2.92Å
218M97.9Very high97Very high5 Ų550 Ų503%0.02530%0.295CS..Hα-helixtrans-61.7-49.1174.7-70.4179.253.500112.2F207 W213 K214 D215 S216 V220 I221 V222 I246F207-M218 HydrophobicContact CB-CE 3.72Å; F207-M218 HydrophobicContact CB-SD 4.31Å; F207-M218 HydrophobicContact CD1-CE 4.1Å; F207-M218 HydrophobicContact CD1-CG 3.77Å; F207-M218 HydrophobicContact CD1-SD 4.01Å; F207-M218 HydrophobicContact CE1-CG 4.15Å; F207-M218 HydrophobicContact CG-CE 4.13Å; W213-M218 HydrophobicContact CB-CG 3.79Å; W213-M218 HydrophobicContact CB-SD 3.65Å; W213-M218 HydrophobicContact CG-CG 4.42Å; W213-M218 HydrophobicContact CG-SD 4.4Å; K214-M218 PolarHBondContact O-N 3.28Å; D215-M218 PolarHBondContact O-N 2.89Å; S216-M218 VanDerWaalsContact C-N 3.34Å; M218-V220 VanDerWaalsContact C-N 3.26Å; M218-V220 PolarHBondContact O-N 3.38Å; M218-I221 PolarHBondContact O-N 3.26Å; M218-I221 VanDerWaalsContact O-N 3.11Å; M218-V222 WeakPolarHBondContact O-CG2 3.46Å; M218-V222 PolarHBondContact O-N 2.79Å; M218-I246 HydrophobicContact CB-CD1 4.18Å; M218-I246 HydrophobicContact CB-CG2 4.17Å; M218-I246 HydrophobicContact CE-CB 4.18Å; M218-I246 HydrophobicContact CE-CD1 4.13Å; M218-I246 HydrophobicContact CE-CG2 4.41Å; M218-I246 HydrophobicContact SD-CD1 4.5Å
219E98.1Very high97.2Very high57 Ų5747.8 Ų47.827%0.26628%0.28SS..Hα-helixtrans-55.6-40177.4-75.4-94.9145.900111.7D215 G223 I246 K249 Y250D215-E219 WeakPolarHBondContact O-CB 3.25Å; D215-E219 VanDerWaalsContact O-CG 3.23Å; D215-E219 WeakPolarHBondContact O-CG 3.31Å; D215-E219 PolarHBondContact O-N 3.43Å; E219-G223 WeakPolarHBondContact O-CA 3.42Å; E219-G223 PolarHBondContact O-N 3.47Å; E219-I246 HydrophobicContact CG-CD1 4.25Å; E219-I246 HydrophobicContact CG-CG1 4.43Å; E219-I246 HydrophobicContact CG-CG2 4.09Å; E219-K249 IonicContact OE1-NZ 3.94Å; E219-K249 PolarHBondContact OE1-NZ 3.24Å; E219-K249 IonicContact OE2-NZ 2.7Å; E219-K249 PolarHBondContact OE2-NZ 2.86Å; E219-Y250 PolarHBondContact OE2-OH 3.47Å; E219-Y250 VanDerWaalsContact OE2-OH 3.13Å
220V98.3Very high97.2Very high33 Ų3343.8 Ų43.820%0.226%0.26CS..Hα-helixtrans-69.5-46.7173.1174.60000111.6C96 S216 D217 M218 D224 F225C96-V220 VanDerWaalsContact SG-CG1 3.54Å; S216-V220 WeakPolarHBondContact O-CG2 3.14Å; S216-V220 PolarHBondContact O-N 3.22Å; D217-V220 PolarHBondContact O-N 3.4Å; M218-V220 VanDerWaalsContact C-N 3.26Å; M218-V220 PolarHBondContact O-N 3.38Å; V220-D224 HydrophobicContact CG1-CB 4.3Å; V220-D224 WeakPolarHBondContact O-CB 3.37Å; V220-D224 PolarHBondContact O-N 3.2Å; V220-F225 HydrophobicContact CG1-CD2 3.95Å; V220-F225 HydrophobicContact CG1-CE2 3.74Å; V220-F225 PolarHBondContact O-N 3.21Å
221I98.5Very high97Very high0 Ų038 Ų380%022%0.222CC..Iπ-helixtrans-61.7-47-177.6-67.5162.4000111.9C96 L99 L197 F207 W213 D217 M218 F225 G226 I227C96-I221 HydrophobicContact CB-CD1 4.1Å; C96-I221 HydrophobicContact CB-CG1 4.07Å; L99-I221 HydrophobicContact CD1-CB 4.39Å; L99-I221 HydrophobicContact CD1-CG1 3.79Å; L99-I221 HydrophobicContact CD1-CG2 4.11Å; L197-I221 HydrophobicContact CD2-CG2 3.66Å; F207-I221 HydrophobicContact CZ-CG2 4.21Å; W213-I221 HydrophobicContact CE3-CD1 4.23Å; W213-I221 HydrophobicContact CZ3-CD1 3.8Å; D217-I221 WeakPolarHBondContact O-CB 3.31Å; D217-I221 WeakPolarHBondContact O-CD1 3.39Å; D217-I221 WeakPolarHBondContact O-CG1 3.41Å; D217-I221 PolarHBondContact O-N 2.92Å; M218-I221 PolarHBondContact O-N 3.26Å; M218-I221 VanDerWaalsContact O-N 3.11Å; I221-F225 WeakPolarHBondContact O-CB 3.37Å; I221-G226 PolarHBondContact O-N 3.01Å; I221-I227 HydrophobicContact CG2-CD1 3.89Å; I221-I227 HydrophobicContact CG2-CG1 4.12Å
222V97.4Very high96.6Very high1 Ų136.3 Ų36.31%0.00619%0.19CC..Iπ-helixtrans-89.5-22.1178.8-65.10000113.8M218 I227 I246 L247 Y250 N253 I254M218-V222 WeakPolarHBondContact O-CG2 3.46Å; M218-V222 PolarHBondContact O-N 2.79Å; V222-I227 HydrophobicContact CG1-CD1 3.47Å; V222-I227 VanDerWaalsContact CG1-CD1 3.47Å; V222-I227 HydrophobicContact CG1-CG1 3.93Å; V222-I246 HydrophobicContact CG2-CG2 3.66Å; V222-L247 HydrophobicContact CG1-CD2 3.87Å; V222-Y250 HydrophobicContact CB-CG 4.39Å; V222-Y250 HydrophobicContact CG2-CD2 3.59Å; V222-Y250 HydrophobicContact CG2-CG 3.85Å; V222-N253 WeakPolarHBondContact O-CB 3.25Å; V222-N253 PolarHBondContact O-ND2 2.91Å; V222-I254 HydrophobicContact CG1-CD1 4.16Å; V222-I254 HydrophobicContact CG1-CG1 4.29Å
223G97.3Very high95.5Very high19 Ų1936.6 Ų36.620%0.19619%0.192CC..Iπ-helixtrans-85-61.617900000113.3E219 Y250 N253E219-G223 WeakPolarHBondContact O-CA 3.42Å; E219-G223 PolarHBondContact O-N 3.47Å; G223-Y250 VanDerWaalsContact CA-CD1 3.47Å; G223-Y250 VanDerWaalsContact CA-CE1 3.48Å; G223-N253 PolarHBondContact O-ND2 3.33Å
224D96.5Very high94.2Very high104 Ų10437.2 Ų37.256%0.55621%0.213SC*.Iπ-helixtrans-81-39.6-172.7-67.7-0.1000112.4R103 V220R103-D224 IonicContact NH1-OD2 3.77Å; V220-D224 HydrophobicContact CG1-CB 4.3Å; V220-D224 WeakPolarHBondContact O-CB 3.37Å; V220-D224 PolarHBondContact O-N 3.2Å
225F97.8Very high93.4Very high4 Ų433 Ų332%0.01820%0.199CC..Iπ-helixtrans-90.7-67.2-177.7-70.1-87.1000111.3L99 E100 R103 R194 I195 L196 V220 I221L99-F225 HydrophobicContact CB-CD1 4.01Å; L99-F225 HydrophobicContact CB-CD2 4.11Å; L99-F225 HydrophobicContact CB-CE1 3.7Å; L99-F225 HydrophobicContact CB-CE2 3.83Å; L99-F225 HydrophobicContact CB-CG 4.2Å; L99-F225 HydrophobicContact CB-CZ 3.61Å; L99-F225 HydrophobicContact CD1-CD2 4.41Å; L99-F225 HydrophobicContact CD1-CG 4.38Å; L99-F225 HydrophobicContact CD2-CB 4.43Å; L99-F225 HydrophobicContact CD2-CD1 3.77Å; L99-F225 HydrophobicContact CD2-CE1 4.17Å; L99-F225 HydrophobicContact CD2-CG 4.08Å; L99-F225 HydrophobicContact CG-CD1 4.41Å; L99-F225 HydrophobicContact CG-CG 4.47Å; L99-F225 VanDerWaalsContact O-CE1 3.3Å; L99-F225 WeakPolarHBondContact O-CE1 3.46Å; L99-F225 WeakPolarHBondContact O-CZ 3.4Å; E100-F225 HydrophobicContact CG-CE2 4.04Å; E100-F225 HydrophobicContact CG-CZ 4.06Å; R103-F225 HydrophobicContact CB-CE1 3.83Å; R103-F225 HydrophobicContact CB-CZ 3.95Å; R103-F225 HydrophobicContact CG-CE1 4.26Å; R103-F225 HydrophobicContact CG-CZ 4.36Å; R194-F225 PolarHBondContact NH2-O 3.27Å; I195-F225 HydrophobicContact CB-CD1 4.14Å; I195-F225 HydrophobicContact CB-CE1 4.39Å; I195-F225 HydrophobicContact CG2-CD1 4.39Å; L196-F225 WeakPolarHBondContact CD2-O 3.22Å; V220-F225 HydrophobicContact CG1-CD2 3.95Å; V220-F225 HydrophobicContact CG1-CE2 3.74Å; V220-F225 PolarHBondContact O-N 3.21Å; I221-F225 WeakPolarHBondContact O-CB 3.37Å
226G97.9Very high92.9Very high0 Ų032.2 Ų32.20%019%0.194CC..  trans96.8160.1-168.900000112.2L196 L197 I221 N253L196-G226 WeakPolarHBondContact CA-O 3.38Å; L197-G226 PolarHBondContact N-O 2.87Å; I221-G226 PolarHBondContact O-N 3.01Å; G226-N253 VanDerWaalsContact CA-ND2 3.29Å; G226-N253 WeakPolarHBondContact CA-ND2 3.26Å; G226-N253 VanDerWaalsContact CA-O 3.25Å; G226-N253 WeakPolarHBondContact CA-O 3.23Å; G226-N253 PolarHBondContact N-ND2 3.32Å
227I98Very high92.5Very high0 Ų029.3 Ų29.30%017%0.173CC..EExtended strand (participates in β ladder)trans-126.8140.9-171.8-53.5-171.3000110.2L197 F207 I221 V222 V229 N253 I254 V255L197-I227 HydrophobicContact CB-CG1 4.27Å; L197-I227 HydrophobicContact CD2-CD1 4.24Å; L197-I227 HydrophobicContact CD2-CG1 4.42Å; L197-I227 CarbonylContact O-C 3.51Å; L197-I227 VanDerWaalsContact O-CA 3.32Å; L197-I227 WeakPolarHBondContact O-CA 3.45Å; L197-I227 WeakPolarHBondContact O-CG2 3.16Å; F207-I227 HydrophobicContact CE2-CD1 3.47Å; F207-I227 VanDerWaalsContact CE2-CD1 3.47Å; F207-I227 HydrophobicContact CZ-CD1 3.83Å; I221-I227 HydrophobicContact CG2-CD1 3.89Å; I221-I227 HydrophobicContact CG2-CG1 4.12Å; V222-I227 HydrophobicContact CG1-CD1 3.47Å; V222-I227 VanDerWaalsContact CG1-CD1 3.47Å; V222-I227 HydrophobicContact CG1-CG1 3.93Å; I227-V229 HydrophobicContact CG2-CG2 3.68Å; I227-N253 PolarHBondContact N-O 3.35Å; I227-I254 CarbonylContact O-C 3.54Å; I227-I254 WeakPolarHBondContact O-CA 3.29Å; I227-V255 PolarHBondContact O-N 3.37Å
228V98.3Very high92.2Very high0 Ų032 Ų320%019%0.185CC..EExtended strand (participates in β ladder)trans-108.7115.4164-171.70000108.4L11 A31 L35 L196 L197 L198 C199 V255 V257L11-V228 HydrophobicContact CD2-CG2 3.87Å; A31-V228 HydrophobicContact CB-CG1 3.78Å; L35-V228 HydrophobicContact CD1-CG2 4Å; L35-V228 HydrophobicContact CD2-CG2 4.36Å; L196-V228 HydrophobicContact CB-CG2 3.89Å; L196-V228 HydrophobicContact CD1-CG2 3.55Å; L196-V228 HydrophobicContact CG-CG2 4.38Å; L197-V228 PolarHBondContact O-N 3.14Å; L198-V228 WeakPolarHBondContact CA-O 3.35Å; L198-V228 HydrophobicContact CD1-CB 4.15Å; L198-V228 HydrophobicContact CD1-CG1 4.23Å; C199-V228 PolarHBondContact N-O 3.43Å; V228-V255 CarbonylContact C-O 3.28Å; V228-V255 WeakPolarHBondContact CA-O 3.26Å; V228-V255 HydrophobicContact CG2-CB 4.44Å; V228-V257 HydrophobicContact CG1-CG2 3.89Å
229V97.1Very high91.9Very high0 Ų039.4 Ų39.40%021%0.213CC..EExtended strand (participates in β ladder)trans-103122.1-178.7-174.30000108.9C199 L204 I227 P231 T237 I254 V255 V256 V257C199-V229 WeakPolarHBondContact O-CA 3.3Å; L204-V229 HydrophobicContact CB-CG1 4.39Å; L204-V229 HydrophobicContact CB-CG2 4.4Å; L204-V229 HydrophobicContact CD1-CG2 3.99Å; L204-V229 HydrophobicContact CD2-CG1 4.23Å; L204-V229 HydrophobicContact CD2-CG2 4.15Å; L204-V229 HydrophobicContact CG-CG2 4.4Å; I227-V229 HydrophobicContact CG2-CG2 3.68Å; V229-P231 WeakPolarHBondContact O-CD 3.44Å; V229-T237 HydrophobicContact CG1-CG2 4.12Å; V229-I254 HydrophobicContact CG2-CG2 3.9Å; V229-V255 PolarHBondContact N-O 3.27Å; V229-V256 HydrophobicContact CB-CG2 4.49Å; V229-V257 PolarHBondContact O-N 3.41Å
230V95.4Very high91.6Very high9 Ų937.1 Ų37.16%0.05520%0.202CC..EExtended strand (participates in β ladder)trans-100.5103.5168.8-176.30000107.7M27 A31 L198 C199 G200 V257 A260M27-V230 HydrophobicContact CG-CB 3.86Å; M27-V230 HydrophobicContact CG-CG1 4.49Å; M27-V230 HydrophobicContact CG-CG2 3.71Å; A31-V230 HydrophobicContact CB-CG2 4.2Å; L198-V230 HydrophobicContact CD1-CG2 4.01Å; C199-V230 PolarHBondContact O-N 3.41Å; G200-V230 WeakPolarHBondContact CA-O 3.41Å; V230-V257 HydrophobicContact CG2-CB 4.27Å; V230-V257 HydrophobicContact CG2-CG2 3.96Å; V230-A260 HydrophobicContact CG1-CB 3.6Å
231P91.1Very high91.3Very high4 Ų435.7 Ų35.73%0.02619%0.193CC..  trans-66.1142.6-173.1-20.133.6000111.9V229 T237 V256 V257 T261V229-P231 WeakPolarHBondContact O-CD 3.44Å; P231-T237 HydrophobicContact CB-CG2 4.23Å; P231-T237 HydrophobicContact CG-CG2 3.98Å; P231-V256 HydrophobicContact CG-CG1 3.59Å; P231-V257 WeakPolarHBondContact CD-O 3.4Å; P231-T261 HydrophobicContact CB-CG2 3.8Å
232R83.8Confident91.1Very high46 Ų4639.9 Ų39.917%0.17422%0.216CC..  trans-117.6155.7178.4-54.9-177.962.5167.19.2109.7S201 G234 V235 S266 V268S201-R232 PolarHBondContact OG-N 3.4Å; S201-R232 PolarHBondContact OG-O 2.88Å; R232-G234 PolarHBondContact O-N 2.94Å; R232-V235 WeakPolarHBondContact O-CB 3.13Å; R232-V235 VanDerWaalsContact O-CG2 3.3Å; R232-V235 WeakPolarHBondContact O-CG2 3.37Å; R232-V235 PolarHBondContact O-N 2.92Å; R232-S266 PolarHBondContact NE-O 2.88Å; R232-S266 PolarHBondContact NH2-O 3.4Å; R232-V268 VanDerWaalsContact NH2-C 3.32Å; R232-V268 PolarHBondContact NH2-O 3.23Å
233D73.4Confident90.8Very high102 Ų10245.5 Ų45.555%0.54524%0.242SC..THydrogen-bonded Turntrans50.130.1168.8-55.3-16.1000115.2V235 I267D233-V235 VanDerWaalsContact C-N 3.29Å; D233-V235 PolarHBondContact O-N 3.37Å; D233-I267 WeakPolarHBondContact OD1-CG2 3.31Å
234G71.2Confident90.7Very high59 Ų5945.3 Ų45.361%0.60824%0.237SC*.THydrogen-bonded Turntrans7115.1178.700000115.7R232 D236R232-G234 PolarHBondContact O-N 2.94Å; G234-D236 PolarHBondContact O-N 3.01Å
235V80.1Confident90.6Very high45 Ų4543.9 Ų43.927%0.27324%0.236SC..  trans-62.9131.3-175.6172.60000112.7R232 D233 T237 I240R232-V235 WeakPolarHBondContact O-CB 3.13Å; R232-V235 VanDerWaalsContact O-CG2 3.3Å; R232-V235 WeakPolarHBondContact O-CG2 3.37Å; R232-V235 PolarHBondContact O-N 2.92Å; D233-V235 VanDerWaalsContact C-N 3.29Å; D233-V235 PolarHBondContact O-N 3.37Å; V235-T237 PolarHBondContact O-N 3.38Å; V235-T237 VanDerWaalsContact O-N 3.14Å; V235-I240 HydrophobicContact CG1-CD1 3.36Å; V235-I240 HydrophobicContact CG1-CG1 4.44Å
236D86.9Confident90.6Very high92 Ų9244.2 Ų44.249%0.49224%0.237SC..  trans-76.295.3174.7-177.4-8.1000111.3G234 E238 R239 I240G234-D236 PolarHBondContact O-N 3.01Å; D236-E238 VanDerWaalsContact C-N 3.29Å; D236-E238 PolarHBondContact O-N 3.35Å; D236-E238 WeakPolarHBondContact OD1-CA 3.36Å; D236-E238 WeakPolarHBondContact OD1-CB 3.45Å; D236-E238 PolarHBondContact OD1-N 3.09Å; D236-R239 HydrophobicContact CB-CB 3.99Å; D236-R239 VanDerWaalsContact CG-CB 3.45Å; D236-R239 PolarHBondContact O-N 3.32Å; D236-R239 PolarHBondContact OD1-N 2.8Å; D236-R239 WeakPolarHBondContact OD2-CB 3.43Å; D236-I240 PolarHBondContact O-N 3.5Å; D236-I240 VanDerWaalsContact O-N 3.17Å
237T89.4Confident90.5Very high13 Ų1344.2 Ų44.28%0.0824%0.237CC..Hα-helixtrans-65.9-28.2176.753.20000113.6L204 V229 P231 V235 I240 M241 V256L204-T237 HydrophobicContact CD2-CG2 4.06Å; V229-T237 HydrophobicContact CG1-CG2 4.12Å; P231-T237 HydrophobicContact CB-CG2 4.23Å; P231-T237 HydrophobicContact CG-CG2 3.98Å; V235-T237 PolarHBondContact O-N 3.38Å; V235-T237 VanDerWaalsContact O-N 3.14Å; T237-I240 PolarHBondContact O-N 3.1Å; T237-M241 WeakPolarHBondContact O-CG 3.37Å; T237-M241 PolarHBondContact O-N 3.38Å; T237-V256 HydrophobicContact CG2-CG1 4.12Å; T237-V256 HydrophobicContact CG2-CG2 4.48Å
238E91.1Very high90.5Very high78 Ų7849.7 Ų49.736%0.36426%0.258SS..Hα-helixtrans-68.7-42.8177.2-78-72.5177.100110.2D236 I240 M241 N242 K251D236-E238 VanDerWaalsContact C-N 3.29Å; D236-E238 PolarHBondContact O-N 3.35Å; D236-E238 WeakPolarHBondContact OD1-CA 3.36Å; D236-E238 WeakPolarHBondContact OD1-CB 3.45Å; D236-E238 PolarHBondContact OD1-N 3.09Å; E238-I240 VanDerWaalsContact C-N 3.35Å; E238-I240 PolarHBondContact O-N 3.47Å; E238-M241 HydrophobicContact CG-CE 4.22Å; E238-M241 PolarHBondContact O-N 3.1Å; E238-N242 WeakPolarHBondContact O-CB 3.49Å; E238-N242 PolarHBondContact O-N 2.93Å; E238-N242 PolarHBondContact O-ND2 2.95Å; E238-K251 VanDerWaalsContact OE1-CE 3.29Å; E238-K251 WeakPolarHBondContact OE1-CE 3.47Å; E238-K251 IonicContact OE1-NZ 2.61Å; E238-K251 PolarHBondContact OE1-NZ 3.1Å; E238-K251 WeakPolarHBondContact OE2-CE 3.32Å; E238-K251 IonicContact OE2-NZ 3.61Å; E238-K251 PolarHBondContact OE2-NZ 3.34Å
239R91.8Very high90.4Very high162 Ų16255.5 Ų55.561%0.61128%0.283SS*.Hα-helixtrans-60.3-42.5171.6-178.9174.3179.2-153-4112.1D236 N242 H243D236-R239 HydrophobicContact CB-CB 3.99Å; D236-R239 VanDerWaalsContact CG-CB 3.45Å; D236-R239 PolarHBondContact O-N 3.32Å; D236-R239 PolarHBondContact OD1-N 2.8Å; D236-R239 WeakPolarHBondContact OD2-CB 3.43Å; R239-N242 PolarHBondContact O-N 3.05Å; R239-H243 PolarHBondContact O-N 3.37Å; R239-H243 PolarHBondContact O-ND1 2.96Å
240I91.8Very high90.4Very high8 Ų858.5 Ų58.54%0.04130%0.295CS..Hα-helixtrans-60.7-53.6176.1-67.6165.8000111.2L204 E205 V235 D236 T237 E238 N242 H243 L247L204-I240 HydrophobicContact CD2-CB 4.25Å; L204-I240 HydrophobicContact CD2-CG2 3.95Å; L204-I240 HydrophobicContact CG-CG2 3.83Å; E205-I240 HydrophobicContact CB-CD1 3.82Å; E205-I240 HydrophobicContact CB-CG1 4.37Å; E205-I240 HydrophobicContact CG-CD1 4.3Å; E205-I240 HydrophobicContact CG-CG1 4.44Å; V235-I240 HydrophobicContact CG1-CD1 3.36Å; V235-I240 HydrophobicContact CG1-CG1 4.44Å; D236-I240 PolarHBondContact O-N 3.5Å; D236-I240 VanDerWaalsContact O-N 3.17Å; T237-I240 PolarHBondContact O-N 3.1Å; E238-I240 VanDerWaalsContact C-N 3.35Å; E238-I240 PolarHBondContact O-N 3.47Å; I240-N242 PolarHBondContact O-N 3.25Å; I240-H243 PolarHBondContact O-N 3.38Å; I240-L247 HydrophobicContact CG2-CD1 4.26Å
241M93.1Very high90.5Very high3 Ų361.7 Ų61.72%0.01531%0.308CS..Hα-helixtrans-56.5-37.7179.5-71.5-176.8-64.500111.2L204 T237 E238 H243 S244 L247 R248 K251 I254 V256L204-M241 HydrophobicContact CD2-CG 4.4Å; T237-M241 WeakPolarHBondContact O-CG 3.37Å; T237-M241 PolarHBondContact O-N 3.38Å; E238-M241 HydrophobicContact CG-CE 4.22Å; E238-M241 PolarHBondContact O-N 3.1Å; M241-H243 VanDerWaalsContact C-N 3.29Å; M241-H243 PolarHBondContact O-N 3.42Å; M241-S244 PolarHBondContact O-N 3.14Å; M241-L247 HydrophobicContact CB-CB 4.36Å; M241-L247 HydrophobicContact CG-CB 4.46Å; M241-R248 WeakPolarHBondContact O-CG 3.43Å; M241-K251 HydrophobicContact CE-CD 4.47Å; M241-K251 HydrophobicContact CE-CG 4.46Å; M241-K251 HydrophobicContact SD-CG 4.09Å; M241-I254 HydrophobicContact CG-CD1 4.3Å; M241-I254 HydrophobicContact SD-CB 4.09Å; M241-I254 HydrophobicContact SD-CD1 4.07Å; M241-I254 HydrophobicContact SD-CG2 3.86Å; M241-V256 HydrophobicContact CE-CG2 4.32Å
242N92.9Very high90.7Very high88 Ų8869.3 Ų69.347%0.47135%0.349SS..Hα-helixtrans-69.5-15.6178.6-77.6-49.8000115.3E238 R239 I240 R248E238-N242 WeakPolarHBondContact O-CB 3.49Å; E238-N242 PolarHBondContact O-N 2.93Å; E238-N242 PolarHBondContact O-ND2 2.95Å; R239-N242 PolarHBondContact O-N 3.05Å; I240-N242 PolarHBondContact O-N 3.25Å; N242-R248 PolarHBondContact O-NH1 2.82Å
243H91.9Very high91.3Very high119 Ų11968.7 Ų68.755%0.55135%0.349SS*.Hα-helixtrans-80.2-34.1175.5-67.8125.2000113.3R239 I240 M241 R248R239-H243 PolarHBondContact O-N 3.37Å; R239-H243 PolarHBondContact O-ND1 2.96Å; I240-H243 PolarHBondContact O-N 3.38Å; M241-H243 VanDerWaalsContact C-N 3.29Å; M241-H243 PolarHBondContact O-N 3.42Å; H243-R248 PolarHBondContact O-NH1 2.95Å
244S94.2Very high92.4Very high15 Ų1564.4 Ų64.411%0.10533%0.326CS..  trans-97.5130.3-178.8171.80000112.6M241 I246 L247 R248M241-S244 PolarHBondContact O-N 3.14Å; S244-I246 VanDerWaalsContact C-N 3.3Å; S244-I246 PolarHBondContact O-N 3.39Å; S244-I246 PolarHBondContact OG-N 3.48Å; S244-L247 PolarHBondContact O-N 2.87Å; S244-L247 PolarHBondContact OG-N 3.17Å; S244-R248 WeakPolarHBondContact O-CG 3.49Å; S244-R248 PolarHBondContact O-N 2.97Å
245S95.9Very high93.7Very high75 Ų7562.4 Ų62.452%0.52430%0.302SS..Hα-helixtrans-59.8-39.317544.10000112.7K249S245-K249 VanDerWaalsContact O-CB 3.26Å; S245-K249 WeakPolarHBondContact O-CB 3.39Å; S245-K249 PolarHBondContact O-N 3.18Å
246I97.3Very high94.4Very high10 Ų1061.2 Ų61.25%0.05130%0.295CS..Hα-helixtrans-68.7-45.6179.4-57.9171.4000109.9D215 M218 E219 V222 S244 R248 K249 Y250D215-I246 HydrophobicContact CB-CD1 3.76Å; M218-I246 HydrophobicContact CB-CD1 4.18Å; M218-I246 HydrophobicContact CB-CG2 4.17Å; M218-I246 HydrophobicContact CE-CB 4.18Å; M218-I246 HydrophobicContact CE-CD1 4.13Å; M218-I246 HydrophobicContact CE-CG2 4.41Å; M218-I246 HydrophobicContact SD-CD1 4.5Å; E219-I246 HydrophobicContact CG-CD1 4.25Å; E219-I246 HydrophobicContact CG-CG1 4.43Å; E219-I246 HydrophobicContact CG-CG2 4.09Å; V222-I246 HydrophobicContact CG2-CG2 3.66Å; S244-I246 VanDerWaalsContact C-N 3.3Å; S244-I246 PolarHBondContact O-N 3.39Å; S244-I246 PolarHBondContact OG-N 3.48Å; I246-R248 PolarHBondContact O-N 2.78Å; I246-K249 PolarHBondContact O-N 3.4Å; I246-Y250 HydrophobicContact CG2-CD2 4.11Å; I246-Y250 HydrophobicContact CG2-CE2 4.44Å; I246-Y250 WeakPolarHBondContact O-CD2 3.4Å; I246-Y250 PolarHBondContact O-N 3.1Å; I246-Y250 VanDerWaalsContact O-N 3.1Å
247L96.8Very high94.8Very high0 Ų057 Ų570%027%0.272CS..Hα-helixtrans-64.3-39.5177-60.2-175.2000112.2L204 F207 V222 I240 M241 S244 K251 I254L204-L247 HydrophobicContact CD1-CD1 4.25Å; L204-L247 HydrophobicContact CD1-CD2 4.47Å; F207-L247 HydrophobicContact CB-CD1 4.15Å; F207-L247 HydrophobicContact CB-CD2 4.4Å; F207-L247 HydrophobicContact CD2-CD2 4.02Å; F207-L247 HydrophobicContact CG-CD2 4.4Å; V222-L247 HydrophobicContact CG1-CD2 3.87Å; I240-L247 HydrophobicContact CG2-CD1 4.26Å; M241-L247 HydrophobicContact CB-CB 4.36Å; M241-L247 HydrophobicContact CG-CB 4.46Å; S244-L247 PolarHBondContact O-N 2.87Å; S244-L247 PolarHBondContact OG-N 3.17Å; L247-K251 PolarHBondContact O-N 3.19Å; L247-K251 VanDerWaalsContact O-N 3.16Å; L247-I254 HydrophobicContact CB-CD1 4.28Å; L247-I254 HydrophobicContact CD2-CD1 3.99Å
248R96.4Very high94.6Very high116 Ų11663.5 Ų63.544%0.43830%0.299SS..Hα-helixtrans-61.8-44.3172.6-70.2-167.2-55.5-84.5-1.6112.1M241 N242 H243 S244 I246 Y250 K251M241-R248 WeakPolarHBondContact O-CG 3.43Å; N242-R248 PolarHBondContact O-NH1 2.82Å; H243-R248 PolarHBondContact O-NH1 2.95Å; S244-R248 WeakPolarHBondContact O-CG 3.49Å; S244-R248 PolarHBondContact O-N 2.97Å; I246-R248 PolarHBondContact O-N 2.78Å; R248-Y250 VanDerWaalsContact C-N 3.32Å; R248-Y250 PolarHBondContact O-N 2.87Å; R248-K251 WeakPolarHBondContact O-CB 3.14Å; R248-K251 PolarHBondContact O-N 3.3Å
249K97.6Very high94Very high121 Ų12164.5 Ų64.553%0.52631%0.307SS..Hα-helixtrans-61.4-37.7-178.4175.4-176.3165.9-1600112.6E219 S245 I246E219-K249 IonicContact OE1-NZ 3.94Å; E219-K249 PolarHBondContact OE1-NZ 3.24Å; E219-K249 IonicContact OE2-NZ 2.7Å; E219-K249 PolarHBondContact OE2-NZ 2.86Å; S245-K249 VanDerWaalsContact O-CB 3.26Å; S245-K249 WeakPolarHBondContact O-CB 3.39Å; S245-K249 PolarHBondContact O-N 3.18Å; I246-K249 PolarHBondContact O-N 3.4Å
250Y97.4Very high93.2Very high63 Ų6356.8 Ų56.825%0.24728%0.278CS..THydrogen-bonded Turntrans-107.521.8-177.5-67.1-74.8000114.2E219 V222 G223 I246 R248 D252 N253E219-Y250 PolarHBondContact OE2-OH 3.47Å; E219-Y250 VanDerWaalsContact OE2-OH 3.13Å; V222-Y250 HydrophobicContact CB-CG 4.39Å; V222-Y250 HydrophobicContact CG2-CD2 3.59Å; V222-Y250 HydrophobicContact CG2-CG 3.85Å; G223-Y250 VanDerWaalsContact CA-CD1 3.47Å; G223-Y250 VanDerWaalsContact CA-CE1 3.48Å; I246-Y250 HydrophobicContact CG2-CD2 4.11Å; I246-Y250 HydrophobicContact CG2-CE2 4.44Å; I246-Y250 WeakPolarHBondContact O-CD2 3.4Å; I246-Y250 PolarHBondContact O-N 3.1Å; I246-Y250 VanDerWaalsContact O-N 3.1Å; R248-Y250 VanDerWaalsContact C-N 3.32Å; R248-Y250 PolarHBondContact O-N 2.87Å; Y250-D252 VanDerWaalsContact C-N 3.25Å; Y250-D252 PolarHBondContact O-N 2.82Å; Y250-D252 VanDerWaalsContact O-N 3.12Å; Y250-N253 WeakPolarHBondContact O-CB 3.38Å; Y250-N253 PolarHBondContact O-N 2.64Å
251K96Very high92.2Very high77 Ų7758 Ų5834%0.33529%0.286SS..G310 helixtrans-52.2-39.1-174.4178.7173.7172.9174.80114E238 M241 L247 R248 N253 I254E238-K251 VanDerWaalsContact OE1-CE 3.29Å; E238-K251 WeakPolarHBondContact OE1-CE 3.47Å; E238-K251 IonicContact OE1-NZ 2.61Å; E238-K251 PolarHBondContact OE1-NZ 3.1Å; E238-K251 WeakPolarHBondContact OE2-CE 3.32Å; E238-K251 IonicContact OE2-NZ 3.61Å; E238-K251 PolarHBondContact OE2-NZ 3.34Å; M241-K251 HydrophobicContact CE-CD 4.47Å; M241-K251 HydrophobicContact CE-CG 4.46Å; M241-K251 HydrophobicContact SD-CG 4.09Å; L247-K251 PolarHBondContact O-N 3.19Å; L247-K251 VanDerWaalsContact O-N 3.16Å; R248-K251 WeakPolarHBondContact O-CB 3.14Å; R248-K251 PolarHBondContact O-N 3.3Å; K251-N253 PolarHBondContact O-N 3.38Å; K251-I254 PolarHBondContact O-N 2.84Å
252D95.2Very high91.5Very high163 Ų16366.8 Ų66.887%0.87233%0.327SS*.G310 helixtrans-67.3-15.7-179.2-64.5-35.1000113.7Y250Y250-D252 VanDerWaalsContact C-N 3.25Å; Y250-D252 PolarHBondContact O-N 2.82Å; Y250-D252 VanDerWaalsContact O-N 3.12Å
253N97.2Very high91.1Very high33 Ų3366 Ų6618%0.17632%0.32CS..G310 helixtrans-96.65.9174.2-147.425.9000113R194 V222 G223 G226 I227 Y250 K251R194-N253 PolarHBondContact NH2-OD1 3.48Å; V222-N253 WeakPolarHBondContact O-CB 3.25Å; V222-N253 PolarHBondContact O-ND2 2.91Å; G223-N253 PolarHBondContact O-ND2 3.33Å; G226-N253 VanDerWaalsContact CA-ND2 3.29Å; G226-N253 WeakPolarHBondContact CA-ND2 3.26Å; G226-N253 VanDerWaalsContact CA-O 3.25Å; G226-N253 WeakPolarHBondContact CA-O 3.23Å; G226-N253 PolarHBondContact N-ND2 3.32Å; I227-N253 PolarHBondContact N-O 3.35Å; Y250-N253 WeakPolarHBondContact O-CB 3.38Å; Y250-N253 PolarHBondContact O-N 2.64Å; K251-N253 PolarHBondContact O-N 3.38Å
254I97.2Very high90.9Very high13 Ų1364.5 Ų64.57%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-110.3102.9176.6-55.9174.1000108.7L204 V222 I227 V229 M241 L247 K251 V256L204-I254 HydrophobicContact CD1-CG2 4.39Å; V222-I254 HydrophobicContact CG1-CD1 4.16Å; V222-I254 HydrophobicContact CG1-CG1 4.29Å; I227-I254 CarbonylContact O-C 3.54Å; I227-I254 WeakPolarHBondContact O-CA 3.29Å; V229-I254 HydrophobicContact CG2-CG2 3.9Å; M241-I254 HydrophobicContact CG-CD1 4.3Å; M241-I254 HydrophobicContact SD-CB 4.09Å; M241-I254 HydrophobicContact SD-CD1 4.07Å; M241-I254 HydrophobicContact SD-CG2 3.86Å; L247-I254 HydrophobicContact CB-CD1 4.28Å; L247-I254 HydrophobicContact CD2-CD1 3.99Å; K251-I254 PolarHBondContact O-N 2.84Å; I254-V256 HydrophobicContact CG2-CG2 4.49Å; I254-V256 PolarHBondContact O-N 3.23Å
255V96.8Very high90.6Very high17 Ų1765.7 Ų65.710%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-89.9106.5-179.6-176.80000110.1Y34 L35 I227 V228 V229Y34-V255 HydrophobicContact CD1-CG1 4.03Å; Y34-V255 HydrophobicContact CE1-CG1 3.76Å; L35-V255 HydrophobicContact CD2-CG1 4Å; L35-V255 HydrophobicContact CD2-CG2 4.46Å; I227-V255 PolarHBondContact O-N 3.37Å; V228-V255 CarbonylContact C-O 3.28Å; V228-V255 WeakPolarHBondContact CA-O 3.26Å; V228-V255 HydrophobicContact CG2-CB 4.44Å; V229-V255 PolarHBondContact N-O 3.27Å
256V95.6Very high90.1Very high20 Ų2062.8 Ų62.812%0.12131%0.305CS..EExtended strand (participates in β ladder)trans-88.1124.3174.3-176.40000110.9Y34 V229 P231 T237 M241 I254 K258Y34-V256 WeakPolarHBondContact CE1-O 3.46Å; Y34-V256 PolarHBondContact OH-O 3.49Å; V229-V256 HydrophobicContact CB-CG2 4.49Å; P231-V256 HydrophobicContact CG-CG1 3.59Å; T237-V256 HydrophobicContact CG2-CG1 4.12Å; T237-V256 HydrophobicContact CG2-CG2 4.48Å; M241-V256 HydrophobicContact CE-CG2 4.32Å; I254-V256 HydrophobicContact CG2-CG2 4.49Å; I254-V256 PolarHBondContact O-N 3.23Å; V256-K258 PolarHBondContact O-N 3.08Å
257V94.3Very high89.6Confident2 Ų266.3 Ų66.31%0.01232%0.323CS..  trans-80.296.4176.4-179.80000110.2K30 Y34 V228 V229 V230 P231 D259 A260K30-V257 HydrophobicContact CB-CG1 4.48Å; Y34-V257 HydrophobicContact CD1-CB 4.39Å; Y34-V257 HydrophobicContact CD1-CG2 3.89Å; Y34-V257 HydrophobicContact CD2-CG1 3.96Å; Y34-V257 HydrophobicContact CG-CB 4.19Å; Y34-V257 HydrophobicContact CG-CG1 3.84Å; Y34-V257 HydrophobicContact CG-CG2 3.96Å; V228-V257 HydrophobicContact CG1-CG2 3.89Å; V229-V257 PolarHBondContact O-N 3.41Å; V230-V257 HydrophobicContact CG2-CB 4.27Å; V230-V257 HydrophobicContact CG2-CG2 3.96Å; P231-V257 WeakPolarHBondContact CD-O 3.4Å; V257-D259 VanDerWaalsContact C-N 3.34Å; V257-D259 PolarHBondContact O-N 3.45Å; V257-A260 HydrophobicContact CG1-CB 3.91Å
258K85.6Confident89.3Confident151 Ų15166.5 Ų66.566%0.65732%0.324SS*.G310 helixtrans-67.9-29.4-170.9-61.5-176.2-179.8-176.60114.5Y34 V256 A260Y34-K258 HydrophobicContact CE2-CB 4.44Å; V256-K258 PolarHBondContact O-N 3.08Å; K258-A260 VanDerWaalsContact C-N 3.32Å; K258-A260 PolarHBondContact O-N 3.16Å
259D78.3Confident89.1Confident98 Ų9862.3 Ų62.352%0.52431%0.312SS..G310 helixtrans-88.910.1-170.5-56.8-15.1000113.4K37 V257K37-D259 IonicContact NZ-OD2 3.65Å; K37-D259 PolarHBondContact NZ-OD2 3.01Å; V257-D259 VanDerWaalsContact C-N 3.34Å; V257-D259 PolarHBondContact O-N 3.45Å
260A76.3Confident89Confident1 Ų157.4 Ų57.41%0.00829%0.293CS..G310 helixtrans-101.9-21.1-17000000116.3V230 V257 K258 H262 H263V230-A260 HydrophobicContact CG1-CB 3.6Å; V257-A260 HydrophobicContact CG1-CB 3.91Å; K258-A260 VanDerWaalsContact C-N 3.32Å; K258-A260 PolarHBondContact O-N 3.16Å; A260-H262 VanDerWaalsContact C-N 3.34Å; A260-H262 PolarHBondContact O-N 2.99Å; A260-H263 PolarHBondContact O-N 2.66Å
261T70.8Confident88.8Confident34 Ų3457.8 Ų57.821%0.20930%0.303CS..THydrogen-bonded Turntrans-57.1-40.8-168.638.10000114.4P231 S266P231-T261 HydrophobicContact CB-CG2 3.8Å; T261-S266 PolarHBondContact O-OG 3.38Å; T261-S266 VanDerWaalsContact O-OG 3.12Å
262H77.6Confident88.6Confident186 Ų18658 Ų5886%0.86130%0.303SS*.THydrogen-bonded Turntrans-86.50.3-173.7-58.2101.5000114.6A260A260-H262 VanDerWaalsContact C-N 3.34Å; A260-H262 PolarHBondContact O-N 2.99Å
263H85.9Confident88.5Confident71 Ų7150.2 Ų50.233%0.32926%0.262SS..SBendtrans-78.3136.9-176.7-169.3-96.1000111.7H26 A260 M265 S266H26-H263 AromaticContact CD2-ND1 3.75Å; H26-H263 AromaticContact CE1-CD2 3.85Å; H26-H263 AromaticContact CE1-CE1 3.16Å; H26-H263 PolarHBondContact CE1-CE1 3.45Å; H26-H263 AromaticContact CE1-CG 3.45Å; H26-H263 VanDerWaalsContact CE1-CG 3.45Å; H26-H263 AromaticContact CE1-ND1 2.99Å; H26-H263 PolarHBondContact CE1-ND1 2.97Å; H26-H263 AromaticContact CE1-NE2 3.68Å; H26-H263 AromaticContact ND1-CE1 3.55Å; H26-H263 AromaticContact ND1-ND1 3.64Å; H26-H263 AromaticContact NE2-CE1 3.7Å; H26-H263 AromaticContact NE2-CG 3.39Å; H26-H263 AromaticContact NE2-ND1 3.01Å; H26-H263 PolarHBondContact NE2-ND1 3.38Å; A260-H263 PolarHBondContact O-N 2.66Å; H263-M265 WeakPolarHBondContact ND1-CB 3.44Å; H263-M265 PolarHBondContact ND1-N 3.01Å; H263-M265 PolarHBondContact O-N 3.2Å; H263-S266 WeakPolarHBondContact O-CB 3.48Å; H263-S266 PolarHBondContact O-N 2.87Å; H263-S266 PolarHBondContact O-OG 3.18Å
264P85.9Confident88.4Confident88 Ų8851.2 Ų51.257%0.57126%0.263SS*.THydrogen-bonded Turntrans-56.2-20.9-177.5-28.936000115.9I267P264-I267 WeakPolarHBondContact O-CG1 3.36Å
265M89.1Confident88.1Confident41 Ų4154.3 Ų54.320%0.20228%0.28CS..THydrogen-bonded Turntrans-78.1-15.1175.5-64.7-65.8100.800114.1K22 H26 H263 I267 V268K22-M265 HydrophobicContact CB-SD 3.66Å; H26-M265 HydrophobicContact CB-CB 3.78Å; H26-M265 HydrophobicContact CB-CG 4.06Å; H263-M265 WeakPolarHBondContact ND1-CB 3.44Å; H263-M265 PolarHBondContact ND1-N 3.01Å; H263-M265 PolarHBondContact O-N 3.2Å; M265-I267 VanDerWaalsContact C-N 3.27Å; M265-I267 PolarHBondContact O-N 3.3Å; M265-V268 HydrophobicContact CE-CG2 3.76Å; M265-V268 PolarHBondContact O-N 2.76Å; M265-V268 HydrophobicContact SD-CG2 4.06Å
266S84.4Confident87.9Confident13 Ų1353.7 Ų53.79%0.09128%0.276CS..THydrogen-bonded Turntrans-61.9-37.7178.471.20000111.4R232 T261 H263 V268R232-S266 PolarHBondContact NE-O 2.88Å; R232-S266 PolarHBondContact NH2-O 3.4Å; T261-S266 PolarHBondContact O-OG 3.38Å; T261-S266 VanDerWaalsContact O-OG 3.12Å; H263-S266 WeakPolarHBondContact O-CB 3.48Å; H263-S266 PolarHBondContact O-N 2.87Å; H263-S266 PolarHBondContact O-OG 3.18Å; S266-V268 VanDerWaalsContact C-N 3.33Å; S266-V268 PolarHBondContact O-N 3.42Å
267I86.4Confident87.7Confident85 Ų8553.7 Ų53.744%0.43628%0.275SS..THydrogen-bonded Turntrans-78.5-8.117967159.1000114.2D233 P264 M265 S269 K272D233-I267 WeakPolarHBondContact OD1-CG2 3.31Å; P264-I267 WeakPolarHBondContact O-CG1 3.36Å; M265-I267 VanDerWaalsContact C-N 3.27Å; M265-I267 PolarHBondContact O-N 3.3Å; I267-S269 PolarHBondContact O-N 3.38Å; I267-K272 WeakPolarHBondContact O-CD 3.45Å; I267-K272 WeakPolarHBondContact O-CE 3.44Å; I267-K272 PolarHBondContact O-NZ 3.24Å
268V91.4Very high87.5Confident3 Ų357 Ų572%0.01829%0.29CS..  trans-83.5115.3-173.8175.50000111R232 M265 S266 Y287R232-V268 VanDerWaalsContact NH2-C 3.32Å; R232-V268 PolarHBondContact NH2-O 3.23Å; M265-V268 HydrophobicContact CE-CG2 3.76Å; M265-V268 PolarHBondContact O-N 2.76Å; M265-V268 HydrophobicContact SD-CG2 4.06Å; S266-V268 VanDerWaalsContact C-N 3.33Å; S266-V268 PolarHBondContact O-N 3.42Å; V268-Y287 HydrophobicContact CG1-CD1 3.97Å; V268-Y287 HydrophobicContact CG1-CG 4.21Å; V268-Y287 HydrophobicContact CG2-CD1 3.88Å; V268-Y287 HydrophobicContact CG2-CE1 4.36Å
269S92.6Very high87.6Confident28 Ų2856.7 Ų56.720%0.19629%0.291CS..  trans-127.2156.1-178.376.80000112.4I267 T271 K272 S273I267-S269 PolarHBondContact O-N 3.38Å; S269-T271 PolarHBondContact O-N 3.4Å; S269-K272 PolarHBondContact O-N 3.43Å; S269-K272 VanDerWaalsContact O-N 3.15Å; S269-K272 PolarHBondContact OG-N 2.7Å; S269-S273 PolarHBondContact O-N 2.88Å; S269-S273 PolarHBondContact O-OG 2.92Å
270S94.9Very high87.8Confident18 Ų1855.3 Ų55.313%0.12630%0.301CS..Hα-helixtrans-58.1-30.9175.5-48.90000112.2N18 P19 H24 S273 R274N18-S270 WeakPolarHBondContact O-CB 3.4Å; P19-S270 VanDerWaalsContact O-CB 3.32Å; P19-S270 WeakPolarHBondContact O-CB 3.43Å; P19-S270 PolarHBondContact O-OG 3.22Å; H24-S270 PolarHBondContact CE1-OG 2.95Å; S270-S273 WeakPolarHBondContact O-CB 3.3Å; S270-S273 PolarHBondContact O-N 3.03Å; S270-R274 WeakPolarHBondContact O-CG 3.5Å; S270-R274 PolarHBondContact O-N 2.94Å; S270-R274 PolarHBondContact O-NH1 3.37Å
271T92.5Very high87.7Confident72 Ų7258.2 Ų58.244%0.44232%0.316SS..Hα-helixtrans-67.3-45.4176.3-60.80000111.7S269 S273 R274 L275S269-T271 PolarHBondContact O-N 3.4Å; T271-S273 VanDerWaalsContact C-N 3.27Å; T271-S273 PolarHBondContact O-N 2.79Å; T271-R274 PolarHBondContact O-N 3.15Å; T271-R274 PolarHBondContact OG1-NH2 2.88Å; T271-L275 HydrophobicContact CG2-CD1 4.35Å; T271-L275 WeakPolarHBondContact O-CG 3.35Å; T271-L275 PolarHBondContact O-N 3.01Å
272K92.1Very high88Confident81 Ų8159.4 Ų59.435%0.35233%0.334SS..Hα-helixtrans-62.4-36.3172.5-67.9179.3-174.8170.60111.7I267 S269 L275 A276 Y287I267-K272 WeakPolarHBondContact O-CD 3.45Å; I267-K272 WeakPolarHBondContact O-CE 3.44Å; I267-K272 PolarHBondContact O-NZ 3.24Å; S269-K272 PolarHBondContact O-N 3.43Å; S269-K272 VanDerWaalsContact O-N 3.15Å; S269-K272 PolarHBondContact OG-N 2.7Å; K272-L275 PolarHBondContact O-N 3.1Å; K272-A276 PolarHBondContact O-N 2.89Å; K272-Y287 HydrophobicContact CB-CE2 4.27Å
273S94.2Very high88.3Confident0 Ų055.4 Ų55.40%032%0.316CS..Hα-helixtrans-64.2-44176.4-49.60000112.6T21 S269 S270 T271 A276 L277T21-S273 VanDerWaalsContact CG2-OG 3.25Å; T21-S273 WeakPolarHBondContact CG2-OG 3.34Å; S269-S273 PolarHBondContact O-N 2.88Å; S269-S273 PolarHBondContact O-OG 2.92Å; S270-S273 WeakPolarHBondContact O-CB 3.3Å; S270-S273 PolarHBondContact O-N 3.03Å; T271-S273 VanDerWaalsContact C-N 3.27Å; T271-S273 PolarHBondContact O-N 2.79Å; S273-A276 PolarHBondContact O-N 2.97Å; S273-L277 WeakPolarHBondContact O-CD1 3.2Å; S273-L277 WeakPolarHBondContact O-CG 3.49Å; S273-L277 PolarHBondContact O-N 3.41Å; S273-L277 VanDerWaalsContact O-N 3.1Å
274R94.5Very high88.5Confident53 Ų5352.8 Ų52.820%0.231%0.305CS..Hα-helixtrans-64.7-42175.3-69.1-170.3-49-77.2-7.6111.8N18 S270 T271 L277 Q278 Y302N18-R274 PolarHBondContact O-NH1 3.04Å; S270-R274 WeakPolarHBondContact O-CG 3.5Å; S270-R274 PolarHBondContact O-N 2.94Å; S270-R274 PolarHBondContact O-NH1 3.37Å; T271-R274 PolarHBondContact O-N 3.15Å; T271-R274 PolarHBondContact OG1-NH2 2.88Å; R274-L277 WeakPolarHBondContact O-CB 3.5Å; R274-L277 PolarHBondContact O-N 2.96Å; R274-Q278 WeakPolarHBondContact O-CB 3.3Å; R274-Q278 VanDerWaalsContact O-CG 3.27Å; R274-Q278 WeakPolarHBondContact O-CG 3.35Å; R274-Q278 PolarHBondContact O-N 3.37Å; R274-Q278 PolarHBondContact O-OE1 3.13Å; R274-Y302 HydrophobicContact CG-CD1 3.66Å; R274-Y302 HydrophobicContact CG-CE1 4.03Å; R274-Y302 HydrophobicContact CG-CG 3.92Å
275L91.9Very high88.9Confident79 Ų7951.8 Ų51.841%0.41430%0.297SS..Hα-helixtrans-62.2-43.7176.7-70.6168.6000112.2T271 K272 L277 Q278 H279T271-L275 HydrophobicContact CG2-CD1 4.35Å; T271-L275 WeakPolarHBondContact O-CG 3.35Å; T271-L275 PolarHBondContact O-N 3.01Å; K272-L275 PolarHBondContact O-N 3.1Å; L275-L277 PolarHBondContact O-N 2.96Å; L275-Q278 PolarHBondContact O-N 2.88Å; L275-H279 VanDerWaalsContact O-CG 3.32Å; L275-H279 PolarHBondContact O-N 3.47Å
276A91.4Very high89.1Confident4 Ų453.5 Ų53.53%0.03331%0.307CS..Hα-helixtrans-60.7-43.9175.300000112K272 S273 H279 G280 D281 V284 Y287K272-A276 PolarHBondContact O-N 2.89Å; S273-A276 PolarHBondContact O-N 2.97Å; A276-H279 PolarHBondContact O-N 2.91Å; A276-G280 PolarHBondContact O-N 3.17Å; A276-D281 HydrophobicContact CB-CB 4.2Å; A276-D281 PolarHBondContact O-N 2.98Å; A276-V284 HydrophobicContact CB-CB 4.28Å; A276-Y287 HydrophobicContact CB-CD2 4.11Å; A276-Y287 HydrophobicContact CB-CE2 3.99Å
277L92Very high89.6Confident19 Ų1955.5 Ų55.510%0.09931%0.313CS..Hα-helixtrans-60-45.5174-74.5161.8000112.4S273 R274 L275 H279 G280 V284 L288 I296 Y302S273-L277 WeakPolarHBondContact O-CD1 3.2Å; S273-L277 WeakPolarHBondContact O-CG 3.49Å; S273-L277 PolarHBondContact O-N 3.41Å; S273-L277 VanDerWaalsContact O-N 3.1Å; R274-L277 WeakPolarHBondContact O-CB 3.5Å; R274-L277 PolarHBondContact O-N 2.96Å; L275-L277 PolarHBondContact O-N 2.96Å; L277-H279 VanDerWaalsContact C-N 3.35Å; L277-H279 PolarHBondContact O-N 3.3Å; L277-G280 PolarHBondContact O-N 2.96Å; L277-V284 HydrophobicContact CD2-CG2 3.77Å; L277-V284 HydrophobicContact CG-CG2 3.81Å; L277-L288 HydrophobicContact CD1-CD1 4.11Å; L277-I296 HydrophobicContact CD1-CD1 4.05Å; L277-I296 HydrophobicContact CD1-CG2 3.89Å; L277-I296 HydrophobicContact CD2-CG2 3.81Å; L277-Y302 HydrophobicContact CD1-CD2 3.97Å; L277-Y302 HydrophobicContact CD1-CG 4.47Å
278Q90.2Very high90.1Very high71 Ų7151.6 Ų51.633%0.33229%0.293SS..Hα-helixtrans-64.9-35.4-179.9-74.4170.3-60.400113R274 L275 G280 Y302 A305R274-Q278 WeakPolarHBondContact O-CB 3.3Å; R274-Q278 VanDerWaalsContact O-CG 3.27Å; R274-Q278 WeakPolarHBondContact O-CG 3.35Å; R274-Q278 PolarHBondContact O-N 3.37Å; R274-Q278 PolarHBondContact O-OE1 3.13Å; L275-Q278 PolarHBondContact O-N 2.88Å; Q278-G280 VanDerWaalsContact C-N 3.32Å; Q278-Y302 WeakPolarHBondContact CG-O 3.47Å; Q278-A305 PolarHBondContact NE2-O 3.12Å
279H87.9Confident90.3Very high145 Ų14553 Ų5367%0.67130%0.303SS*.THydrogen-bonded Turntrans-84.1-4179-62.9167.5000113.7L275 A276 L277 D281L275-H279 VanDerWaalsContact O-CG 3.32Å; L275-H279 PolarHBondContact O-N 3.47Å; A276-H279 PolarHBondContact O-N 2.91Å; L277-H279 VanDerWaalsContact C-N 3.35Å; L277-H279 PolarHBondContact O-N 3.3Å; H279-D281 HydrophobicContact CB-CB 4.46Å; H279-D281 PolarHBondContact O-N 3.3Å
280G81.1Confident90.5Very high70 Ų7056.3 Ų56.372%0.72232%0.315SS*.THydrogen-bonded Turntrans6527.4-171.600000113A276 L277 Q278A276-G280 PolarHBondContact O-N 3.17Å; L277-G280 PolarHBondContact O-N 2.96Å; Q278-G280 VanDerWaalsContact C-N 3.32Å
281D75.1Confident90.7Very high62 Ų6257.1 Ų57.133%0.33232%0.32SS..  trans-76.5125.4-175.3-172.7-6.7000111.1A276 H279 H283 V284A276-D281 HydrophobicContact CB-CB 4.2Å; A276-D281 PolarHBondContact O-N 2.98Å; H279-D281 HydrophobicContact CB-CB 4.46Å; H279-D281 PolarHBondContact O-N 3.3Å; D281-H283 PolarHBondContact O-N 3.1Å; D281-H283 VanDerWaalsContact O-N 3.12Å; D281-H283 WeakPolarHBondContact OD1-CB 3.38Å; D281-H283 IonicContact OD1-CD2 3.41Å; D281-H283 PolarHBondContact OD1-CD2 2.92Å; D281-H283 IonicContact OD1-CG 3.54Å; D281-H283 PolarHBondContact OD1-N 3.48Å; D281-H283 IonicContact OD2-CD2 2.62Å; D281-V284 PolarHBondContact O-N 2.97Å; D281-V284 VanDerWaalsContact O-N 3.15Å
282G76.7Confident91Very high58 Ų5853.7 Ų53.760%0.59830%0.299SS*.THydrogen-bonded Turntrans-57.4-23.4175.600000113.5V284 V285G282-V284 PolarHBondContact O-N 3.33Å; G282-V285 WeakPolarHBondContact O-CG2 3.42Å; G282-V285 PolarHBondContact O-N 3.47Å
283H84.5Confident91.2Very high102 Ų10250.2 Ų50.247%0.47228%0.284SS..THydrogen-bonded Turntrans-64.4-4.9175.6-69.7-61.1000115D281 V285 D286D281-H283 PolarHBondContact O-N 3.1Å; D281-H283 VanDerWaalsContact O-N 3.12Å; D281-H283 WeakPolarHBondContact OD1-CB 3.38Å; D281-H283 IonicContact OD1-CD2 3.41Å; D281-H283 PolarHBondContact OD1-CD2 2.92Å; D281-H283 IonicContact OD1-CG 3.54Å; D281-H283 PolarHBondContact OD1-N 3.48Å; D281-H283 IonicContact OD2-CD2 2.62Å; H283-V285 PolarHBondContact O-N 3.35Å; H283-V285 VanDerWaalsContact O-N 3.15Å; H283-D286 IonicContact CE1-OD2 3.99Å; H283-D286 IonicContact CG-OD2 3.73Å; H283-D286 IonicContact ND1-OD2 2.91Å; H283-D286 PolarHBondContact ND1-OD2 2.98Å; H283-D286 WeakPolarHBondContact O-CB 3.36Å; H283-D286 PolarHBondContact O-N 3.41Å
284V90.4Very high91.4Very high17 Ų1754.1 Ų54.110%0.10331%0.305CS..Hα-helixtrans-54.8-31.1171.167.60000112.8A276 L277 D281 G282 D286 Y287 L288 I293A276-V284 HydrophobicContact CB-CB 4.28Å; L277-V284 HydrophobicContact CD2-CG2 3.77Å; L277-V284 HydrophobicContact CG-CG2 3.81Å; D281-V284 PolarHBondContact O-N 2.97Å; D281-V284 VanDerWaalsContact O-N 3.15Å; G282-V284 PolarHBondContact O-N 3.33Å; V284-D286 PolarHBondContact O-N 3.4Å; V284-Y287 PolarHBondContact O-N 3.27Å; V284-Y287 VanDerWaalsContact O-N 3.09Å; V284-L288 HydrophobicContact CG2-CD1 3.71Å; V284-L288 HydrophobicContact CG2-CG 4.09Å; V284-L288 PolarHBondContact O-N 3.15Å; V284-I293 HydrophobicContact CG1-CD1 4.31Å; V284-I293 HydrophobicContact CG2-CD1 4.41Å; V284-I293 HydrophobicContact CG2-CG1 4.29Å
285V93.4Very high91.5Very high67 Ų6753.3 Ų53.341%0.40630%0.302SS..Hα-helixtrans-66.2-22.2176.2-55.20000113.1K22 G282 H283 Y287 I293K22-V285 PolarHBondContact NZ-O 3.06Å; G282-V285 WeakPolarHBondContact O-CG2 3.42Å; G282-V285 PolarHBondContact O-N 3.47Å; H283-V285 PolarHBondContact O-N 3.35Å; H283-V285 VanDerWaalsContact O-N 3.15Å; V285-Y287 VanDerWaalsContact C-N 3.29Å; V285-I293 HydrophobicContact CB-CD1 4.41Å; V285-I293 HydrophobicContact CG1-CD1 3.97Å
286D92.8Very high91.8Very high76 Ų7649.5 Ų49.541%0.40628%0.283SS..Hα-helixtrans-76.3-22175.6-61.5-43.6000111.4K22 H283 V284K22-D286 WeakPolarHBondContact CD-O 3.33Å; H283-D286 IonicContact CE1-OD2 3.99Å; H283-D286 IonicContact CG-OD2 3.73Å; H283-D286 IonicContact ND1-OD2 2.91Å; H283-D286 PolarHBondContact ND1-OD2 2.98Å; H283-D286 WeakPolarHBondContact O-CB 3.36Å; H283-D286 PolarHBondContact O-N 3.41Å; V284-D286 PolarHBondContact O-N 3.4Å
287Y94.9Very high91.9Very high56 Ų5653.2 Ų53.222%0.2230%0.301CS..Hα-helixtrans-104.5-33.9-174.3-52.9-27.1000113.8T21 K22 V268 K272 A276 V284 V285T21-Y287 WeakPolarHBondContact CA-O 3.44Å; T21-Y287 WeakPolarHBondContact CB-O 3.39Å; K22-Y287 WeakPolarHBondContact CB-O 3.41Å; K22-Y287 PolarHBondContact N-O 3.48Å; V268-Y287 HydrophobicContact CG1-CD1 3.97Å; V268-Y287 HydrophobicContact CG1-CG 4.21Å; V268-Y287 HydrophobicContact CG2-CD1 3.88Å; V268-Y287 HydrophobicContact CG2-CE1 4.36Å; K272-Y287 HydrophobicContact CB-CE2 4.27Å; A276-Y287 HydrophobicContact CB-CD2 4.11Å; A276-Y287 HydrophobicContact CB-CE2 3.99Å; V284-Y287 PolarHBondContact O-N 3.27Å; V284-Y287 VanDerWaalsContact O-N 3.09Å; V285-Y287 VanDerWaalsContact C-N 3.29Å
288L96.7Very high92.2Very high2 Ų260.1 Ų60.11%0.0133%0.333CS..SBendtrans-117.6156.7-173.9-56.2-174000111.4P19 I20 T21 K22 L277 V284 V292 I293 I296P19-L288 HydrophobicContact CG-CD1 4.23Å; P19-L288 HydrophobicContact CG-CD2 3.93Å; I20-L288 WeakPolarHBondContact O-CD2 3.42Å; T21-L288 HydrophobicContact CG2-CD2 3.88Å; K22-L288 WeakPolarHBondContact CE-O 3.47Å; L277-L288 HydrophobicContact CD1-CD1 4.11Å; V284-L288 HydrophobicContact CG2-CD1 3.71Å; V284-L288 HydrophobicContact CG2-CG 4.09Å; V284-L288 PolarHBondContact O-N 3.15Å; L288-V292 HydrophobicContact CD1-CG1 4.47Å; L288-I293 HydrophobicContact CB-CD1 3.99Å; L288-I293 HydrophobicContact CB-CG1 3.58Å; L288-I293 HydrophobicContact CD1-CG1 4.18Å; L288-I293 HydrophobicContact CG-CG1 4.47Å; L288-I296 HydrophobicContact CD1-CD1 3.77Å
289S97.1Very high92.5Very high32 Ų3258.5 Ų58.522%0.22433%0.33CS..  trans-82.1147.3168.854.20000110.1P291 V292 I293S289-P291 VanDerWaalsContact C-CD 3.47Å; S289-V292 WeakPolarHBondContact O-CB 3.17Å; S289-V292 PolarHBondContact O-N 3.5Å; S289-V292 WeakPolarHBondContact OG-CG2 3.47Å; S289-I293 PolarHBondContact O-N 3.12Å; S289-I293 VanDerWaalsContact O-N 3.1Å
290Q97.1Very high92.8Very high99 Ų9957.2 Ų57.246%0.46332%0.324SS..Hα-helixtrans-51.5-45.9-176.3-166.862.245.200113.8V292 I293 D294Q290-V292 PolarHBondContact O-N 2.8Å; Q290-V292 VanDerWaalsContact O-N 3.17Å; Q290-I293 WeakPolarHBondContact O-CA 3.48Å; Q290-I293 WeakPolarHBondContact O-CB 3.36Å; Q290-I293 PolarHBondContact O-N 2.97Å; Q290-D294 PolarHBondContact NE2-OD1 2.94Å; Q290-D294 PolarHBondContact O-N 2.88Å
291P98.4Very high93.5Very high34 Ų3454.9 Ų54.922%0.22130%0.295CS..Hα-helixtrans-60.7-30.5178.9-23.335000113.9L72 S289 Y295L72-P291 HydrophobicContact CB-CB 4.1Å; L72-P291 HydrophobicContact CD2-CB 4.1Å; S289-P291 VanDerWaalsContact C-CD 3.47Å; P291-Y295 WeakPolarHBondContact O-CB 3.4Å; P291-Y295 PolarHBondContact O-N 2.76Å; P291-Y295 VanDerWaalsContact O-N 3.13Å
292V98.4Very high94.3Very high1 Ų153 Ų531%0.00628%0.283CS..Hα-helixtrans-74.9-38.4175.5174.10000110.9I20 M69 L72 A73 L288 S289 Q290 I296I20-V292 HydrophobicContact CG2-CG2 4.23Å; M69-V292 HydrophobicContact CB-CG1 4.18Å; M69-V292 HydrophobicContact CB-CG2 4.47Å; M69-V292 HydrophobicContact CG-CG1 4.11Å; M69-V292 VanDerWaalsContact O-CG2 3.31Å; M69-V292 WeakPolarHBondContact O-CG2 3.27Å; M69-V292 HydrophobicContact SD-CG1 4.22Å; L72-V292 HydrophobicContact CB-CG2 4.09Å; A73-V292 HydrophobicContact CB-CG2 3.97Å; L288-V292 HydrophobicContact CD1-CG1 4.47Å; S289-V292 WeakPolarHBondContact O-CB 3.17Å; S289-V292 PolarHBondContact O-N 3.5Å; S289-V292 WeakPolarHBondContact OG-CG2 3.47Å; Q290-V292 PolarHBondContact O-N 2.8Å; Q290-V292 VanDerWaalsContact O-N 3.17Å; V292-I296 HydrophobicContact CG1-CD1 3.8Å; V292-I296 HydrophobicContact CG1-CG1 4.45Å; V292-I296 WeakPolarHBondContact O-CB 3.5Å; V292-I296 WeakPolarHBondContact O-CD1 3.19Å; V292-I296 WeakPolarHBondContact O-CG1 3.48Å; V292-I296 PolarHBondContact O-N 3.15Å
293I97Very high94.5Very high8 Ų852.5 Ų52.54%0.04127%0.267CS..Hα-helixtrans-62.2-50.2174.3-61.7169.1000109.7V284 V285 L288 S289 Q290 Y295 I296 L297V284-I293 HydrophobicContact CG1-CD1 4.31Å; V284-I293 HydrophobicContact CG2-CD1 4.41Å; V284-I293 HydrophobicContact CG2-CG1 4.29Å; V285-I293 HydrophobicContact CB-CD1 4.41Å; V285-I293 HydrophobicContact CG1-CD1 3.97Å; L288-I293 HydrophobicContact CB-CD1 3.99Å; L288-I293 HydrophobicContact CB-CG1 3.58Å; L288-I293 HydrophobicContact CD1-CG1 4.18Å; L288-I293 HydrophobicContact CG-CG1 4.47Å; S289-I293 PolarHBondContact O-N 3.12Å; S289-I293 VanDerWaalsContact O-N 3.1Å; Q290-I293 WeakPolarHBondContact O-CA 3.48Å; Q290-I293 WeakPolarHBondContact O-CB 3.36Å; Q290-I293 PolarHBondContact O-N 2.97Å; I293-Y295 VanDerWaalsContact C-N 3.32Å; I293-Y295 PolarHBondContact O-N 3.42Å; I293-I296 PolarHBondContact O-N 3.09Å; I293-I296 VanDerWaalsContact O-N 3.15Å; I293-L297 HydrophobicContact CG2-CD1 3.89Å; I293-L297 HydrophobicContact CG2-CG 4.33Å; I293-L297 WeakPolarHBondContact O-CG 3.47Å; I293-L297 PolarHBondContact O-N 2.94Å
294D97.2Very high93.8Very high81 Ų8154 Ų5443%0.43328%0.278SS..Hα-helixtrans-57.2-46.2179.7-59-26.2000111Q290 L297 Q298Q290-D294 PolarHBondContact NE2-OD1 2.94Å; Q290-D294 PolarHBondContact O-N 2.88Å; D294-L297 PolarHBondContact O-N 2.67Å; D294-Q298 VanDerWaalsContact O-CB 3.3Å; D294-Q298 WeakPolarHBondContact O-CB 3.36Å; D294-Q298 PolarHBondContact O-N 3.47Å
295Y98.3Very high92.2Very high36 Ų3656.2 Ų56.214%0.14130%0.298CS..Hα-helixtrans-63.7-40.9176.7-178.4-94.9000113.3H65 T68 M69 L72 P291 I293 S299 L301H65-Y295 HydrophobicContact CB-CE1 4.25Å; H65-Y295 AromaticContact ND1-CE1 3.81Å; H65-Y295 AromaticContact ND1-CZ 3.67Å; H65-Y295 PolarHBondContact ND1-OH 3.41Å; T68-Y295 HydrophobicContact CG2-CD2 3.82Å; T68-Y295 HydrophobicContact CG2-CE1 4.29Å; T68-Y295 HydrophobicContact CG2-CE2 3.4Å; T68-Y295 VanDerWaalsContact CG2-CE2 3.4Å; T68-Y295 HydrophobicContact CG2-CG 4.4Å; M69-Y295 HydrophobicContact CG-CD1 3.51Å; M69-Y295 HydrophobicContact CG-CE1 3.89Å; M69-Y295 HydrophobicContact SD-CD1 4.31Å; L72-Y295 HydrophobicContact CD1-CD2 4.04Å; L72-Y295 HydrophobicContact CD1-CG 3.86Å; P291-Y295 WeakPolarHBondContact O-CB 3.4Å; P291-Y295 PolarHBondContact O-N 2.76Å; P291-Y295 VanDerWaalsContact O-N 3.13Å; I293-Y295 VanDerWaalsContact C-N 3.32Å; I293-Y295 PolarHBondContact O-N 3.42Å; Y295-S299 WeakPolarHBondContact O-CB 3.47Å; Y295-S299 PolarHBondContact O-N 3.42Å; Y295-S299 PolarHBondContact O-OG 2.91Å; Y295-L301 HydrophobicContact CD1-CD1 4.41Å; Y295-L301 HydrophobicContact CE1-CD1 4.03Å
296I97.2Very high89.6Confident0 Ų059.1 Ų59.10%032%0.321CS..Hα-helixtrans-62.5-46.2176.9-78.3170.1000110.6P19 M69 L277 L288 V292 I293 S299 Q300 L301 Y302P19-I296 HydrophobicContact CB-CD1 3.94Å; P19-I296 HydrophobicContact CG-CD1 4.08Å; M69-I296 HydrophobicContact SD-CD1 3.75Å; M69-I296 HydrophobicContact SD-CG1 3.49Å; M69-I296 WeakPolarHBondContact SD-CG1 3.38Å; L277-I296 HydrophobicContact CD1-CD1 4.05Å; L277-I296 HydrophobicContact CD1-CG2 3.89Å; L277-I296 HydrophobicContact CD2-CG2 3.81Å; L288-I296 HydrophobicContact CD1-CD1 3.77Å; V292-I296 HydrophobicContact CG1-CD1 3.8Å; V292-I296 HydrophobicContact CG1-CG1 4.45Å; V292-I296 WeakPolarHBondContact O-CB 3.5Å; V292-I296 WeakPolarHBondContact O-CD1 3.19Å; V292-I296 WeakPolarHBondContact O-CG1 3.48Å; V292-I296 PolarHBondContact O-N 3.15Å; I293-I296 PolarHBondContact O-N 3.09Å; I293-I296 VanDerWaalsContact O-N 3.15Å; I296-S299 CarbonylContact O-C 3.55Å; I296-S299 PolarHBondContact O-N 3.28Å; I296-Q300 WeakPolarHBondContact O-CA 3.21Å; I296-Q300 PolarHBondContact O-N 3.24Å; I296-L301 HydrophobicContact CG2-CB 4.29Å; I296-L301 WeakPolarHBondContact CG2-O 3.36Å; I296-L301 PolarHBondContact O-N 3.31Å; I296-Y302 HydrophobicContact CD1-CD2 4.16Å; I296-Y302 HydrophobicContact CD1-CE2 4Å; I296-Y302 HydrophobicContact CG1-CD2 4.29Å; I296-Y302 HydrophobicContact CG1-CE2 4.15Å; I296-Y302 HydrophobicContact CG2-CD2 4.11Å
297L94.5Very high86.8Confident82 Ų8262.5 Ų62.543%0.42937%0.374SS..Hα-helixtrans-66.4-45.9178.6-66.4175.7000111.3I293 D294 S299 Q300 I303I293-L297 HydrophobicContact CG2-CD1 3.89Å; I293-L297 HydrophobicContact CG2-CG 4.33Å; I293-L297 WeakPolarHBondContact O-CG 3.47Å; I293-L297 PolarHBondContact O-N 2.94Å; D294-L297 PolarHBondContact O-N 2.67Å; L297-S299 VanDerWaalsContact C-N 3.3Å; L297-S299 PolarHBondContact O-N 3.28Å; L297-Q300 PolarHBondContact O-N 3.15Å; L297-Q300 PolarHBondContact O-NE2 3Å; L297-I303 HydrophobicContact CD2-CD1 4.19Å
298Q97.1Very high86.4Confident163 Ų16362.9 Ų62.976%0.76238%0.382SS*.Hα-helixtrans-60.8-39.8176-173.6-176.914.600112.1D294 Q300D294-Q298 VanDerWaalsContact O-CB 3.3Å; D294-Q298 WeakPolarHBondContact O-CB 3.36Å; D294-Q298 PolarHBondContact O-N 3.47Å; Q298-Q300 VanDerWaalsContact C-N 3.33Å
299S97.2Very high85.9Confident38 Ų3866.1 Ų66.127%0.26640%0.402SS..THydrogen-bonded Turntrans-87.11.2-179.3-55.70000113.8Y295 I296 L297 L301Y295-S299 WeakPolarHBondContact O-CB 3.47Å; Y295-S299 PolarHBondContact O-N 3.42Å; Y295-S299 PolarHBondContact O-OG 2.91Å; I296-S299 CarbonylContact O-C 3.55Å; I296-S299 PolarHBondContact O-N 3.28Å; L297-S299 VanDerWaalsContact C-N 3.3Å; L297-S299 PolarHBondContact O-N 3.28Å; S299-L301 PolarHBondContact O-N 3.48Å
300Q94.6Very high85.3Confident118 Ų11867.9 Ų67.955%0.55141%0.412SS*.THydrogen-bonded Turntrans52.433.4-177.4-61.8-72.6-68.400114I296 L297 Q298I296-Q300 WeakPolarHBondContact O-CA 3.21Å; I296-Q300 PolarHBondContact O-N 3.24Å; L297-Q300 PolarHBondContact O-N 3.15Å; L297-Q300 PolarHBondContact O-NE2 3Å; Q298-Q300 VanDerWaalsContact C-N 3.33Å
301L94.8Very high84.6Confident20 Ų2066.1 Ų66.111%0.10541%0.409CS..  trans-79.8140.9-176.8-61.8173.2000111.2V61 H65 M69 Y295 I296 S299 I303V61-L301 HydrophobicContact CG1-CD2 4.34Å; H65-L301 HydrophobicContact CB-CD1 3.87Å; M69-L301 HydrophobicContact CE-CD1 4.33Å; M69-L301 HydrophobicContact SD-CD1 4.33Å; Y295-L301 HydrophobicContact CD1-CD1 4.41Å; Y295-L301 HydrophobicContact CE1-CD1 4.03Å; I296-L301 HydrophobicContact CG2-CB 4.29Å; I296-L301 WeakPolarHBondContact CG2-O 3.36Å; I296-L301 PolarHBondContact O-N 3.31Å; S299-L301 PolarHBondContact O-N 3.48Å; L301-I303 WeakPolarHBondContact O-CG1 3.46Å; L301-I303 PolarHBondContact O-N 3.43Å
302Y92.1Very high83.7Confident22 Ų2268.1 Ų68.19%0.08642%0.42CS..SBendtrans65-8.9176.8-42.6-68.2000116.7N18 P19 V61 M69 R274 L277 Q278 I296 N304N18-Y302 VanDerWaalsContact C-OH 3.3Å; N18-Y302 WeakPolarHBondContact OD1-CE1 3.42Å; N18-Y302 PolarHBondContact OD1-OH 3.06Å; P19-Y302 HydrophobicContact CB-CE2 3.99Å; P19-Y302 HydrophobicContact CG-CE2 4.12Å; V61-Y302 HydrophobicContact CG1-CD1 4.14Å; V61-Y302 HydrophobicContact CG1-CE1 3.46Å; V61-Y302 VanDerWaalsContact CG1-CE1 3.46Å; V61-Y302 HydrophobicContact CG2-CE1 4.48Å; V61-Y302 WeakPolarHBondContact CG2-OH 3.22Å; M69-Y302 HydrophobicContact CE-CE2 4.35Å; M69-Y302 HydrophobicContact SD-CE2 4.32Å; R274-Y302 HydrophobicContact CG-CD1 3.66Å; R274-Y302 HydrophobicContact CG-CE1 4.03Å; R274-Y302 HydrophobicContact CG-CG 3.92Å; L277-Y302 HydrophobicContact CD1-CD2 3.97Å; L277-Y302 HydrophobicContact CD1-CG 4.47Å; Q278-Y302 WeakPolarHBondContact CG-O 3.47Å; I296-Y302 HydrophobicContact CD1-CD2 4.16Å; I296-Y302 HydrophobicContact CD1-CE2 4Å; I296-Y302 HydrophobicContact CG1-CD2 4.29Å; I296-Y302 HydrophobicContact CG1-CE2 4.15Å; I296-Y302 HydrophobicContact CG2-CD2 4.11Å; Y302-N304 PolarHBondContact O-N 3.1Å
303I81Confident82.7Confident49 Ų4972.6 Ų72.625%0.25145%0.448SS..THydrogen-bonded Turntrans-66.8-37.8-173.9-51.4-173.5000112.5L297 L301L297-I303 HydrophobicContact CD2-CD1 4.19Å; L301-I303 WeakPolarHBondContact O-CG1 3.46Å; L301-I303 PolarHBondContact O-N 3.43Å
304N69.4Low81.7Confident133 Ų13377.2 Ų77.271%0.71148%0.477SS*.THydrogen-bonded Turntrans-118.929.1-168.7-66.3-34.9000114.4Y302 S306Y302-N304 PolarHBondContact O-N 3.1Å; N304-S306 VanDerWaalsContact C-N 3.29Å; N304-S306 PolarHBondContact O-N 2.96Å
305A56.4Low80.5Confident63 Ų6376.9 Ų76.952%0.52148%0.48SS..  trans-7778.7-179.500000112.3Q278 G307Q278-A305 PolarHBondContact NE2-O 3.12Å; A305-G307 PolarHBondContact O-N 2.91Å
306S39.9Very low79Confident128 Ų12880.3 Ų80.390%0.89551%0.509SS*.  trans-68.8108.9144.3-58.40000107.6N304N304-S306 VanDerWaalsContact C-N 3.29Å; N304-S306 PolarHBondContact O-N 2.96Å
307G34.2Very low77.4Confident148 Ų14887.6 Ų87.6100%1.52656%0.555SS**  trans-161.50179.100000110.9A305A305-G307 PolarHBondContact O-N 2.91Å

Retrieved 307 of 307 residues in 88.2 ms (Link to these results)

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