A0A093HV06_STRCA Loading...

ADP-ribosylation factor-related protein 1

Trans-Golgi-associated GTPase that regulates protein sorting. Controls the targeting of ARL1 and its effector to the trans-Golgi. Required for the lipidation of chylomicrons in the intestine and required for VLDL lipidation in the liver.

AlphaFold DB , UniProt , Accession A0A093HV06, Species STRCA (Struthio camelus australis), Gene n/a, Length 201 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
1M52.5Low64.6Low185 Ų185128 Ų12891%0.91162%0.62SS**  0-38.20-141.3162.671.900112.8T3 L5M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 3.37Å; M1-L5 PolarHBondContact O-N 3.09Å
2Y55.8Low64.6Low216 Ų216128.3 Ų128.385%0.84762%0.622SS**Hα-helixtrans-63.8-29.5175-70.8-77.8000115.2S6Y2-S6 VanDerWaalsContact O-CB 3.26Å; Y2-S6 WeakPolarHBondContact O-CB 3.32Å; Y2-S6 PolarHBondContact O-N 3.41Å; Y2-S6 PolarHBondContact O-OG 3.12Å
3T64.3Low64.8Low113 Ų113128.5 Ų128.569%0.69362%0.618SS**Hα-helixtrans-72.9-34.1178.9340000114.1M1 S6 G7M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 3.37Å; T3-S6 WeakPolarHBondContact CA-OG 3.33Å; T3-S6 PolarHBondContact O-OG 3.44Å; T3-G7 PolarHBondContact O-N 3.37Å
4L68.8Low65.5Low141 Ų141124.2 Ų124.274%0.73860%0.597SS**Hα-helixtrans-76.1-39.2176.7-73.9167.3000111.4G7 L8L4-G7 PolarHBondContact O-N 2.79Å; L4-L8 VanDerWaalsContact O-CB 3.26Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 2.57Å
5L69.9Low66.6Low129 Ų129122.9 Ų122.968%0.67558%0.584SS**Hα-helixtrans-67.9-40.9175.2-116107.6000111.8M1 Y9M1-L5 PolarHBondContact O-N 3.09Å; L5-Y9 WeakPolarHBondContact O-CB 3.36Å; L5-Y9 PolarHBondContact O-N 3.42Å
6S65Low68.1Low57 Ų57120.1 Ų120.140%0.39957%0.573SS.*Hα-helixtrans-69.9-35.2175.568.10000112.2Y2 T3 K10Y2-S6 VanDerWaalsContact O-CB 3.26Å; Y2-S6 WeakPolarHBondContact O-CB 3.32Å; Y2-S6 PolarHBondContact O-N 3.41Å; Y2-S6 PolarHBondContact O-OG 3.12Å; T3-S6 WeakPolarHBondContact CA-OG 3.33Å; T3-S6 PolarHBondContact O-OG 3.44Å; S6-K10 VanDerWaalsContact O-CB 3.32Å; S6-K10 WeakPolarHBondContact O-CB 3.46Å; S6-K10 WeakPolarHBondContact O-CG 3.45Å; S6-K10 PolarHBondContact O-N 3.13Å
7G67Low69.6Low22 Ų22114.4 Ų114.423%0.22755%0.546CS..Hα-helixtrans-65-44.8172.200000112.6T3 L4 K10 Y11T3-G7 PolarHBondContact O-N 3.37Å; L4-G7 PolarHBondContact O-N 2.79Å; G7-K10 PolarHBondContact O-N 2.9Å; G7-Y11 VanDerWaalsContact O-CB 3.25Å; G7-Y11 WeakPolarHBondContact O-CB 3.34Å; G7-Y11 PolarHBondContact O-N 2.93Å
8L70.8Confident71.1Confident101 Ų101108.5 Ų108.553%0.52952%0.517SS..Hα-helixtrans-66.5-41.3175.9-175.265.9000111.7L4 Y11 M12L4-L8 VanDerWaalsContact O-CB 3.26Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 2.57Å; L8-Y11 PolarHBondContact O-N 3.15Å; L8-M12 HydrophobicContact CD1-CG 4.44Å; L8-M12 WeakPolarHBondContact O-CB 3.18Å; L8-M12 VanDerWaalsContact O-CG 3.3Å; L8-M12 WeakPolarHBondContact O-CG 3.48Å; L8-M12 PolarHBondContact O-N 2.88Å
9Y66.6Low72.4Confident149 Ų149102.8 Ų102.858%0.58449%0.49SS*.Hα-helixtrans-61.7-51.2174-174.5-89.6000110.5L5 Y11 M12 F13L5-Y9 WeakPolarHBondContact O-CB 3.36Å; L5-Y9 PolarHBondContact O-N 3.42Å; Y9-Y11 VanDerWaalsContact C-N 3.31Å; Y9-Y11 PolarHBondContact O-N 3.46Å; Y9-M12 PolarHBondContact O-N 3.3Å; Y9-F13 AromaticContact CD1-CD2 3.82Å; Y9-F13 HydrophobicContact CD1-CD2 3.82Å; Y9-F13 HydrophobicContact CD1-CE2 4.43Å; Y9-F13 AromaticContact CD2-CD2 3.56Å; Y9-F13 HydrophobicContact CD2-CD2 3.56Å; Y9-F13 AromaticContact CD2-CE2 3.33Å; Y9-F13 HydrophobicContact CD2-CE2 3.33Å; Y9-F13 HydrophobicContact CD2-CZ 4.49Å; Y9-F13 AromaticContact CE1-CD2 3.72Å; Y9-F13 HydrophobicContact CE1-CD2 3.72Å; Y9-F13 HydrophobicContact CE1-CE2 4.27Å; Y9-F13 HydrophobicContact CE1-CG 4.39Å; Y9-F13 AromaticContact CE2-CD2 3.46Å; Y9-F13 HydrophobicContact CE2-CD2 3.46Å; Y9-F13 VanDerWaalsContact CE2-CD2 3.46Å; Y9-F13 AromaticContact CE2-CE2 3.12Å; Y9-F13 HydrophobicContact CE2-CE2 3.12Å; Y9-F13 AromaticContact CE2-CZ 3.98Å; Y9-F13 HydrophobicContact CE2-CZ 3.98Å; Y9-F13 AromaticContact CG-CD2 3.73Å; Y9-F13 HydrophobicContact CG-CD2 3.73Å; Y9-F13 AromaticContact CG-CE2 4Å; Y9-F13 HydrophobicContact CG-CE2 4Å; Y9-F13 AromaticContact CZ-CD2 3.52Å; Y9-F13 AromaticContact CZ-CE2 3.63Å; Y9-F13 WeakPolarHBondContact O-CB 3.33Å; Y9-F13 WeakPolarHBondContact O-CD2 3.41Å; Y9-F13 PolarHBondContact O-N 3.15Å
10K63.7Low73.7Confident129 Ų12997.7 Ų97.756%0.56147%0.465SS*.Hα-helixtrans-57.3-44.4175.7-80.6-179.9175.9-178.40111.7S6 G7 F13 Q14S6-K10 VanDerWaalsContact O-CB 3.32Å; S6-K10 WeakPolarHBondContact O-CB 3.46Å; S6-K10 WeakPolarHBondContact O-CG 3.45Å; S6-K10 PolarHBondContact O-N 3.13Å; G7-K10 PolarHBondContact O-N 2.9Å; K10-F13 CarbonylContact O-C 3.59Å; K10-F13 PolarHBondContact O-N 3.37Å; K10-Q14 WeakPolarHBondContact O-CA 3.4Å; K10-Q14 WeakPolarHBondContact O-CB 3.43Å; K10-Q14 PolarHBondContact O-N 3.13Å
11Y65.7Low74.9Confident166 Ų16693 Ų9365%0.65144%0.443SS*.Hα-helixtrans-60.9-44.9177.1-179.3-100.6000112.2G7 L8 Y9 F13G7-Y11 VanDerWaalsContact O-CB 3.25Å; G7-Y11 WeakPolarHBondContact O-CB 3.34Å; G7-Y11 PolarHBondContact O-N 2.93Å; L8-Y11 PolarHBondContact O-N 3.15Å; Y9-Y11 VanDerWaalsContact C-N 3.31Å; Y9-Y11 PolarHBondContact O-N 3.46Å; Y11-F13 VanDerWaalsContact C-N 3.33Å; Y11-F13 PolarHBondContact O-N 3.45Å
12M64.6Low77.1Confident131 Ų13184.2 Ų84.265%0.64540%0.4SS*.Hα-helixtrans-71.3-24.4179.5-70.6-141.9-6100114.1L8 Y9L8-M12 HydrophobicContact CD1-CG 4.44Å; L8-M12 WeakPolarHBondContact O-CB 3.18Å; L8-M12 VanDerWaalsContact O-CG 3.3Å; L8-M12 WeakPolarHBondContact O-CG 3.48Å; L8-M12 PolarHBondContact O-N 2.88Å; Y9-M12 PolarHBondContact O-N 3.3Å
13F68.3Low79.1Confident132 Ų13273.9 Ų73.958%0.57936%0.36SS*.Hα-helixtrans-108.61-178.1-67-73.5000114Y9 K10 Y11Y9-F13 AromaticContact CD1-CD2 3.82Å; Y9-F13 HydrophobicContact CD1-CD2 3.82Å; Y9-F13 HydrophobicContact CD1-CE2 4.43Å; Y9-F13 AromaticContact CD2-CD2 3.56Å; Y9-F13 HydrophobicContact CD2-CD2 3.56Å; Y9-F13 AromaticContact CD2-CE2 3.33Å; Y9-F13 HydrophobicContact CD2-CE2 3.33Å; Y9-F13 HydrophobicContact CD2-CZ 4.49Å; Y9-F13 AromaticContact CE1-CD2 3.72Å; Y9-F13 HydrophobicContact CE1-CD2 3.72Å; Y9-F13 HydrophobicContact CE1-CE2 4.27Å; Y9-F13 HydrophobicContact CE1-CG 4.39Å; Y9-F13 AromaticContact CE2-CD2 3.46Å; Y9-F13 HydrophobicContact CE2-CD2 3.46Å; Y9-F13 VanDerWaalsContact CE2-CD2 3.46Å; Y9-F13 AromaticContact CE2-CE2 3.12Å; Y9-F13 HydrophobicContact CE2-CE2 3.12Å; Y9-F13 AromaticContact CE2-CZ 3.98Å; Y9-F13 HydrophobicContact CE2-CZ 3.98Å; Y9-F13 AromaticContact CG-CD2 3.73Å; Y9-F13 HydrophobicContact CG-CD2 3.73Å; Y9-F13 AromaticContact CG-CE2 4Å; Y9-F13 HydrophobicContact CG-CE2 4Å; Y9-F13 AromaticContact CZ-CD2 3.52Å; Y9-F13 AromaticContact CZ-CE2 3.63Å; Y9-F13 WeakPolarHBondContact O-CB 3.33Å; Y9-F13 WeakPolarHBondContact O-CD2 3.41Å; Y9-F13 PolarHBondContact O-N 3.15Å; K10-F13 CarbonylContact O-C 3.59Å; K10-F13 PolarHBondContact O-N 3.37Å; Y11-F13 VanDerWaalsContact C-N 3.33Å; Y11-F13 PolarHBondContact O-N 3.45Å
14Q73.5Confident80.7Confident68 Ų6868.5 Ų68.532%0.31833%0.327SS..PPolyproline II helixtrans-71.8133.6175.3-178.6165.4-2.700109.7K10K10-Q14 WeakPolarHBondContact O-CA 3.4Å; K10-Q14 WeakPolarHBondContact O-CB 3.43Å; K10-Q14 PolarHBondContact O-N 3.13Å
15R82.1Confident82Confident105 Ų10562.2 Ų62.240%0.39629%0.294SS..PPolyproline II helixtrans-86.2135172.2-67-174.2178.2172.5-4.6109.1E17 D65 K68 R70R15-E17 PolarHBondContact O-N 3.21Å; R15-D65 IonicContact CZ-OD2 2.62Å; R15-D65 IonicContact NH1-OD1 2.68Å; R15-D65 IonicContact NH1-OD2 3.75Å; R15-D65 PolarHBondContact NH1-OD2 3.28Å; R15-K68 WeakPolarHBondContact CB-O 3.3Å; R15-R70 HydrophobicContact CB-CB 4.4Å
16D90.4Very high83.2Confident78 Ų7858 Ų5842%0.41727%0.271SS..EExtended strand (participates in β ladder)trans-65.9121.7172.1-68-27.4000108.8Y18 R70 P195D16-Y18 HydrophobicContact CB-CD2 4.42Å; D16-Y18 HydrophobicContact CB-CE2 3.59Å; D16-R70 PolarHBondContact O-N 2.96Å; D16-P195 HydrophobicContact CB-CB 3.76Å; D16-P195 HydrophobicContact CB-CG 3.94Å
17E93.8Very high84.6Confident22 Ų2260.5 Ų60.510%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-106.3126.3-175.7-169.217496.200110.2R15 R70 P195 R196 K198R15-E17 PolarHBondContact O-N 3.21Å; E17-R70 CarbonylContact C-O 3.54Å; E17-R70 WeakPolarHBondContact CA-O 3.29Å; E17-R70 HydrophobicContact CB-CB 4.38Å; E17-R70 HydrophobicContact CG-CB 4.31Å; E17-R70 HydrophobicContact CG-CG 4.06Å; E17-R70 VanDerWaalsContact OE2-CD 3.24Å; E17-R70 WeakPolarHBondContact OE2-CD 3.46Å; E17-P195 WeakPolarHBondContact O-CA 3.26Å; E17-R196 PolarHBondContact O-N 3.41Å; E17-K198 IonicContact OE2-NZ 2.92Å
18Y96.8Very high86Confident9 Ų959.6 Ų59.64%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-123.2131-179.6-61.6-96.5000110D16 T69 R70 L71 M72 H94 V187 V188 P195D16-Y18 HydrophobicContact CB-CD2 4.42Å; D16-Y18 HydrophobicContact CB-CE2 3.59Å; Y18-T69 HydrophobicContact CD2-CG2 3.52Å; Y18-T69 HydrophobicContact CE2-CG2 3.72Å; Y18-R70 PolarHBondContact N-O 2.81Å; Y18-L71 WeakPolarHBondContact O-CA 3.43Å; Y18-M72 PolarHBondContact O-N 3.49Å; Y18-H94 HydrophobicContact CD1-CB 3.93Å; Y18-H94 AromaticContact CD1-CD2 3.62Å; Y18-H94 AromaticContact CD1-CG 3.92Å; Y18-H94 HydrophobicContact CG-CB 4.49Å; Y18-V187 HydrophobicContact CD1-CB 3.75Å; Y18-V187 HydrophobicContact CD1-CG2 3.8Å; Y18-V187 HydrophobicContact CD2-CG2 4.08Å; Y18-V187 HydrophobicContact CE1-CB 4.21Å; Y18-V187 HydrophobicContact CE1-CG2 4.24Å; Y18-V187 WeakPolarHBondContact CE1-O 3.13Å; Y18-V187 HydrophobicContact CE2-CG2 4.49Å; Y18-V187 HydrophobicContact CG-CB 4.12Å; Y18-V187 HydrophobicContact CG-CG2 3.71Å; Y18-V188 HydrophobicContact CE2-CG2 4.02Å; Y18-P195 HydrophobicContact CD1-CB 4.38Å; Y18-P195 HydrophobicContact CD2-CB 4.37Å; Y18-P195 HydrophobicContact CE1-CB 3.91Å; Y18-P195 HydrophobicContact CE1-CG 4.41Å; Y18-P195 HydrophobicContact CE2-CB 3.91Å
19C97Very high87.2Confident0 Ų055.3 Ų55.30%025%0.251CS..EExtended strand (participates in β ladder)trans-84.4128175.4-52.60000110.4M72 W74 E92 H94 G95 R196C19-M72 CarbonylContact C-O 3.55Å; C19-M72 VanDerWaalsContact CA-O 3.3Å; C19-M72 WeakPolarHBondContact CA-O 3.21Å; C19-M72 HydrophobicContact CB-CE 4.29Å; C19-M72 WeakPolarHBondContact SG-CE 3.3Å; C19-W74 HydrophobicContact CB-CE3 4.42Å; C19-W74 HydrophobicContact CB-CH2 3.75Å; C19-W74 HydrophobicContact CB-CZ2 3.92Å; C19-W74 HydrophobicContact CB-CZ3 4.02Å; C19-W74 VanDerWaalsContact SG-CZ2 3.54Å; C19-E92 WeakPolarHBondContact CB-O 3.23Å; C19-H94 PolarHBondContact N-ND1 3.41Å; C19-H94 WeakPolarHBondContact O-CA 3.42Å; C19-H94 WeakPolarHBondContact O-CB 3.45Å; C19-H94 PolarHBondContact O-N 2.72Å; C19-G95 PolarHBondContact O-N 3.39Å; C19-R196 VanDerWaalsContact SG-CD 3.52Å
20V98.3Very high88.6Confident0 Ų048.8 Ų48.80%023%0.226CC..EExtended strand (participates in β ladder)trans-122.7125.1178.3179.30000109.5L71 M72 F73 W74 G95 I97 M183V20-L71 HydrophobicContact CG2-CD1 4.48Å; V20-L71 HydrophobicContact CG2-CD2 4.15Å; V20-M72 PolarHBondContact N-O 3.12Å; V20-F73 HydrophobicContact CB-CD1 3.8Å; V20-F73 HydrophobicContact CB-CE1 3.97Å; V20-F73 HydrophobicContact CG1-CD1 3.92Å; V20-F73 HydrophobicContact CG1-CE1 3.95Å; V20-F73 CarbonylContact O-C 3.6Å; V20-F73 VanDerWaalsContact O-CA 3.23Å; V20-F73 WeakPolarHBondContact O-CA 3.42Å; V20-W74 PolarHBondContact O-N 3.42Å; V20-G95 CarbonylContact C-O 3.58Å; V20-G95 VanDerWaalsContact CA-O 3.3Å; V20-G95 WeakPolarHBondContact CA-O 3.43Å; V20-I97 HydrophobicContact CG1-CD1 3.89Å; V20-I97 HydrophobicContact CG1-CG1 3.74Å; V20-M183 HydrophobicContact CG1-CE 4.39Å; V20-M183 HydrophobicContact CG1-CG 4.34Å; V20-M183 HydrophobicContact CG2-CG 4.11Å
21L98.2Very high90.1Very high0 Ų043.7 Ų43.70%021%0.205CC..EExtended strand (participates in β ladder)trans-80.5141.2175.1-56.5-178000110.4L23 W74 Y90 G95 V96 I97L21-L23 HydrophobicContact CB-CD1 4.23Å; L21-L23 HydrophobicContact CB-CD2 4.2Å; L21-L23 HydrophobicContact CB-CG 3.95Å; L21-L23 HydrophobicContact CD1-CD1 4.2Å; L21-W74 HydrophobicContact CD2-CB 3.96Å; L21-W74 HydrophobicContact CD2-CD2 4.26Å; L21-W74 HydrophobicContact CD2-CE3 3.4Å; L21-W74 VanDerWaalsContact CD2-CE3 3.4Å; L21-W74 HydrophobicContact CD2-CZ3 4.19Å; L21-Y90 HydrophobicContact CD1-CD1 3.59Å; L21-Y90 HydrophobicContact CD1-CE1 4.09Å; L21-G95 PolarHBondContact N-O 2.79Å; L21-V96 HydrophobicContact CB-CG1 4.46Å; L21-V96 HydrophobicContact CB-CG2 4.32Å; L21-V96 HydrophobicContact CD1-CG2 4.28Å; L21-I97 PolarHBondContact O-N 3.27Å
22I98.4Very high91.6Very high0 Ų037.2 Ų37.20%018%0.183CC..EExtended strand (participates in β ladder)trans-113.2110.5165.9-50.9176.8000107.6K30 F33 L34 F73 W74 D75 L76 I97 V99I22-K30 HydrophobicContact CG2-CB 3.68Å; I22-K30 HydrophobicContact CG2-CD 4.25Å; I22-K30 HydrophobicContact CG2-CG 3.96Å; I22-F33 HydrophobicContact CD1-CD1 4.33Å; I22-L34 HydrophobicContact CD1-CB 3.88Å; I22-L34 HydrophobicContact CD1-CD1 4.1Å; I22-L34 HydrophobicContact CD1-CG 4.39Å; I22-F73 HydrophobicContact CD1-CB 3.9Å; I22-F73 HydrophobicContact CD1-CD1 3.84Å; I22-F73 HydrophobicContact CD1-CG 4.05Å; I22-F73 HydrophobicContact CG1-CB 4.34Å; I22-F73 HydrophobicContact CG1-CD1 4.02Å; I22-W74 PolarHBondContact N-O 3.05Å; I22-D75 HydrophobicContact CB-CB 4.41Å; I22-D75 HydrophobicContact CD1-CB 4.49Å; I22-L76 PolarHBondContact O-N 2.97Å; I22-I97 WeakPolarHBondContact CA-O 3.36Å; I22-I97 HydrophobicContact CG1-CB 4.46Å; I22-V99 HydrophobicContact CG2-CG2 3.91Å
23L98.2Very high93.1Very high0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-123.6168.3-173.8-53.6-179.8000110.6L21 K30 L76 W86 Y90 V96 I97 Y98 V99 M118L21-L23 HydrophobicContact CB-CD1 4.23Å; L21-L23 HydrophobicContact CB-CD2 4.2Å; L21-L23 HydrophobicContact CB-CG 3.95Å; L21-L23 HydrophobicContact CD1-CD1 4.2Å; L23-K30 WeakPolarHBondContact O-CD 3.26Å; L23-L76 HydrophobicContact CD2-CB 4.12Å; L23-L76 HydrophobicContact CD2-CD1 3.78Å; L23-L76 HydrophobicContact CD2-CG 4.26Å; L23-W86 HydrophobicContact CB-CE3 4.45Å; L23-W86 HydrophobicContact CB-CH2 4.33Å; L23-W86 HydrophobicContact CB-CZ2 4.34Å; L23-W86 HydrophobicContact CB-CZ3 4.38Å; L23-W86 HydrophobicContact CD1-CD2 4.37Å; L23-W86 HydrophobicContact CD1-CE3 4.21Å; L23-W86 HydrophobicContact CD2-CB 4.39Å; L23-W86 HydrophobicContact CD2-CD2 3.88Å; L23-W86 HydrophobicContact CD2-CE3 4.48Å; L23-W86 HydrophobicContact CD2-CG 3.83Å; L23-W86 HydrophobicContact CG-CD2 4.48Å; L23-Y90 HydrophobicContact CD1-CE1 3.89Å; L23-V96 HydrophobicContact CD1-CG1 3.92Å; L23-V96 HydrophobicContact CG-CG1 4.31Å; L23-I97 PolarHBondContact N-O 2.87Å; L23-Y98 HydrophobicContact CB-CD2 4.04Å; L23-Y98 WeakPolarHBondContact O-CA 3.48Å; L23-V99 PolarHBondContact O-N 3.03Å; L23-M118 HydrophobicContact CD1-CG 3.92Å; L23-M118 HydrophobicContact CD1-SD 3.71Å
24G97.6Very high94.4Very high0 Ų024.7 Ų24.70%013%0.125CC..  trans131.6167.6-173.800000111.6K30 G78 W86G24-K30 WeakPolarHBondContact O-CE 3.5Å; G24-K30 PolarHBondContact O-NZ 3.06Å; G24-G78 VanDerWaalsContact O-CA 3.23Å; G24-G78 WeakPolarHBondContact O-CA 3.5Å; G24-W86 WeakPolarHBondContact O-CZ2 3.37Å
25L97.2Very high95.4Very high9 Ų921.8 Ų21.85%0.04711%0.111CC..  trans-61.2160.7-178.7-60-170.7000112.2A28 K30 R107 E110 A114L25-A28 VanDerWaalsContact O-CB 3.28Å; L25-A28 WeakPolarHBondContact O-CB 3.37Å; L25-A28 PolarHBondContact O-N 3.21Å; L25-K30 PolarHBondContact O-NZ 3.5Å; L25-R107 HydrophobicContact CD1-CB 3.98Å; L25-E110 HydrophobicContact CD1-CB 4.06Å; L25-E110 HydrophobicContact CD1-CG 4.12Å; L25-E110 HydrophobicContact CD2-CG 4.16Å; L25-A114 HydrophobicContact CD2-CB 4.17Å
26D94.1Very high96Very high39 Ų3917.9 Ų17.921%0.20910%0.098CC..THydrogen-bonded Turntrans-56.1152.5166.861.3-80000110.8A28 G78 Q79 R107D26-A28 PolarHBondContact O-N 3.3Å; D26-G78 PolarHBondContact N-O 2.82Å; D26-Q79 HydrophobicContact CB-CG 3.94Å; D26-R107 IonicContact OD1-NH1 2.69Å; D26-R107 IonicContact OD2-CZ 3.13Å; D26-R107 IonicContact OD2-NH1 2.73Å; D26-R107 PolarHBondContact OD2-NH1 2.91Å
27N93.9Very high96.2Very high111 Ų11114.2 Ų14.259%0.5948%0.078SC*.THydrogen-bonded Turntrans60.90-176.6-159.437.7000116.7G29 K135N27-G29 PolarHBondContact O-N 2.75Å; N27-G29 VanDerWaalsContact O-N 3.14Å; N27-K135 VanDerWaalsContact O-CE 3.29Å; N27-K135 WeakPolarHBondContact O-CE 3.38Å; N27-K135 PolarHBondContact O-NZ 3.19Å
28A96.8Very high96.2Very high2 Ų213.9 Ų13.92%0.0178%0.076CC..SBendtrans-64.9-16.3175.500000114L25 D26 V99 D101 N134L25-A28 VanDerWaalsContact O-CB 3.28Å; L25-A28 WeakPolarHBondContact O-CB 3.37Å; L25-A28 PolarHBondContact O-N 3.21Å; D26-A28 PolarHBondContact O-N 3.3Å; A28-V99 HydrophobicContact CB-CB 4.37Å; A28-V99 HydrophobicContact CB-CG1 4.16Å; A28-V99 WeakPolarHBondContact CB-O 3.34Å; A28-V99 VanDerWaalsContact O-CG1 3.31Å; A28-V99 WeakPolarHBondContact O-CG1 3.22Å; A28-D101 HydrophobicContact CB-CB 4.4Å; A28-N134 PolarHBondContact O-ND2 2.88Å
29G96.3Very high96Very high12 Ų1216.4 Ų16.412%0.1249%0.093CC..SBendtrans97.724.4177.600000115N27 T32 F33N27-G29 PolarHBondContact O-N 2.75Å; N27-G29 VanDerWaalsContact O-N 3.14Å; G29-T32 PolarHBondContact O-N 3.25Å; G29-F33 WeakPolarHBondContact O-CB 3.16Å; G29-F33 PolarHBondContact O-N 3.24Å
30K96.9Very high95.6Very high12 Ų1221.8 Ų21.85%0.05211%0.113CC..Hα-helixtrans-57.1-54.4178.4-60.3-171.2-60.2-75.70113.3I22 L23 G24 L25 T32 F33 L34 D75 L76 V99I22-K30 HydrophobicContact CG2-CB 3.68Å; I22-K30 HydrophobicContact CG2-CD 4.25Å; I22-K30 HydrophobicContact CG2-CG 3.96Å; L23-K30 WeakPolarHBondContact O-CD 3.26Å; G24-K30 WeakPolarHBondContact O-CE 3.5Å; G24-K30 PolarHBondContact O-NZ 3.06Å; L25-K30 PolarHBondContact O-NZ 3.5Å; K30-T32 VanDerWaalsContact C-N 3.34Å; K30-T32 PolarHBondContact O-N 3.35Å; K30-F33 WeakPolarHBondContact O-CB 3.46Å; K30-F33 PolarHBondContact O-N 3.08Å; K30-L34 PolarHBondContact O-N 2.97Å; K30-D75 VanDerWaalsContact CB-OD1 3.23Å; K30-D75 WeakPolarHBondContact CB-OD1 3.12Å; K30-L76 WeakPolarHBondContact CE-O 3.11Å; K30-V99 HydrophobicContact CG-CB 3.96Å; K30-V99 HydrophobicContact CG-CG2 3.94Å
31T95.1Very high95.3Very high21 Ų2123.9 Ų23.913%0.12912%0.122CC..Hα-helixtrans-65.3-38.9179.3-46.50000111.6F33 L34 E35 I53 T56 D75T31-F33 VanDerWaalsContact C-N 3.33Å; T31-F33 PolarHBondContact O-N 3.24Å; T31-L34 PolarHBondContact O-N 3.14Å; T31-E35 WeakPolarHBondContact O-CG 3.28Å; T31-E35 PolarHBondContact O-N 3.01Å; T31-I53 HydrophobicContact CG2-CG2 3.71Å; T31-T56 PolarHBondContact OG1-OG1 2.88Å; T31-D75 WeakPolarHBondContact CA-OD2 3.41Å; T31-D75 VanDerWaalsContact CB-OD2 3.32Å; T31-D75 WeakPolarHBondContact CB-OD2 3.31Å; T31-D75 PolarHBondContact OG1-OD2 3.47Å
32T95.7Very high94.7Very high30 Ų3025.8 Ų25.818%0.18413%0.133CC..Hα-helixtrans-59.4-44.2173-47.10000111.3G29 K30 E35 Q36 L50 A170G29-T32 PolarHBondContact O-N 3.25Å; K30-T32 VanDerWaalsContact C-N 3.34Å; K30-T32 PolarHBondContact O-N 3.35Å; T32-E35 PolarHBondContact O-N 3.2Å; T32-Q36 VanDerWaalsContact O-CB 3.24Å; T32-Q36 WeakPolarHBondContact O-CB 3.5Å; T32-Q36 PolarHBondContact O-N 3.2Å; T32-L50 HydrophobicContact CG2-CD1 4.25Å; T32-L50 HydrophobicContact CG2-CD2 4.05Å; T32-A170 HydrophobicContact CG2-CB 3.86Å
33F96.9Very high93.5Very high1 Ų135.8 Ų35.80%0.00418%0.176CC..Hα-helixtrans-62.6-43176.4178-92.1000111.7I22 G29 K30 T31 Q36 T37 I97 L132 A170 V176 I180I22-F33 HydrophobicContact CD1-CD1 4.33Å; G29-F33 WeakPolarHBondContact O-CB 3.16Å; G29-F33 PolarHBondContact O-N 3.24Å; K30-F33 WeakPolarHBondContact O-CB 3.46Å; K30-F33 PolarHBondContact O-N 3.08Å; T31-F33 VanDerWaalsContact C-N 3.33Å; T31-F33 PolarHBondContact O-N 3.24Å; F33-Q36 PolarHBondContact O-N 3.44Å; F33-T37 VanDerWaalsContact O-CB 3.26Å; F33-T37 WeakPolarHBondContact O-CB 3.29Å; F33-T37 PolarHBondContact O-N 2.87Å; F33-T37 PolarHBondContact O-OG1 3.42Å; F33-I97 HydrophobicContact CE1-CD1 3.77Å; F33-I97 HydrophobicContact CE1-CG2 4.38Å; F33-I97 HydrophobicContact CZ-CD1 4.33Å; F33-L132 HydrophobicContact CD1-CD1 4.27Å; F33-L132 HydrophobicContact CD2-CD1 3.55Å; F33-L132 HydrophobicContact CE1-CD1 4.04Å; F33-L132 HydrophobicContact CE2-CD1 3.26Å; F33-L132 HydrophobicContact CG-CD1 4.05Å; F33-L132 HydrophobicContact CZ-CD1 3.54Å; F33-A170 HydrophobicContact CB-CB 4Å; F33-V176 HydrophobicContact CD2-CG2 3.93Å; F33-V176 HydrophobicContact CE2-CB 4.15Å; F33-V176 HydrophobicContact CE2-CG1 4.01Å; F33-V176 HydrophobicContact CE2-CG2 3.76Å; F33-V176 HydrophobicContact CZ-CG1 4.28Å; F33-I180 HydrophobicContact CE1-CD1 4.02Å; F33-I180 HydrophobicContact CZ-CD1 3.94Å; F33-I180 HydrophobicContact CZ-CG1 4.26Å
34L96Very high92.4Very high0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-61.3-47.5176.3178.655.6000112I22 K30 T31 T37 K38 F73 D75I22-L34 HydrophobicContact CD1-CB 3.88Å; I22-L34 HydrophobicContact CD1-CD1 4.1Å; I22-L34 HydrophobicContact CD1-CG 4.39Å; K30-L34 PolarHBondContact O-N 2.97Å; T31-L34 PolarHBondContact O-N 3.14Å; L34-T37 WeakPolarHBondContact O-CB 3.25Å; L34-T37 PolarHBondContact O-N 3.34Å; L34-K38 HydrophobicContact CD1-CG 4.45Å; L34-K38 WeakPolarHBondContact O-CG 3.49Å; L34-K38 PolarHBondContact O-N 3.41Å; L34-F73 HydrophobicContact CD1-CB 3.55Å; L34-F73 HydrophobicContact CD1-CD2 3.51Å; L34-F73 HydrophobicContact CD1-CE2 4.38Å; L34-F73 HydrophobicContact CD1-CG 3.67Å; L34-F73 HydrophobicContact CD2-CB 4.47Å; L34-D75 HydrophobicContact CD2-CB 3.76Å
35E94.4Very high91.4Very high6 Ų647.3 Ų47.33%0.02823%0.232CC..Hα-helixtrans-65.4-40.5179.2-71.2-55.6127.100112.3T31 T32 T37 K38 T39 Y45 L50 I53T31-E35 WeakPolarHBondContact O-CG 3.28Å; T31-E35 PolarHBondContact O-N 3.01Å; T32-E35 PolarHBondContact O-N 3.2Å; E35-T37 VanDerWaalsContact C-N 3.32Å; E35-T37 PolarHBondContact O-N 2.8Å; E35-K38 PolarHBondContact O-N 2.93Å; E35-K38 IonicContact OE1-NZ 3.99Å; E35-K38 PolarHBondContact OE1-NZ 3.23Å; E35-T39 WeakPolarHBondContact O-CB 3.2Å; E35-T39 PolarHBondContact O-N 2.6Å; E35-T39 PolarHBondContact O-OG1 2.85Å; E35-Y45 WeakPolarHBondContact OE2-CE1 3.12Å; E35-Y45 PolarHBondContact OE2-OH 3.32Å; E35-L50 HydrophobicContact CB-CD2 4.08Å; E35-I53 HydrophobicContact CB-CD1 4.3Å; E35-I53 HydrophobicContact CG-CD1 4.07Å
36Q94.7Very high89.7Confident23 Ų2356.5 Ų56.511%0.10727%0.272CS..Hα-helixtrans-63.3-40.7174.4-17458.362.200111.4T32 F33 T39 R40 A170 V176T32-Q36 VanDerWaalsContact O-CB 3.24Å; T32-Q36 WeakPolarHBondContact O-CB 3.5Å; T32-Q36 PolarHBondContact O-N 3.2Å; F33-Q36 PolarHBondContact O-N 3.44Å; Q36-T39 PolarHBondContact O-N 3.12Å; Q36-R40 WeakPolarHBondContact O-CG 3.43Å; Q36-R40 PolarHBondContact O-N 2.91Å; Q36-A170 WeakPolarHBondContact CB-O 3.2Å; Q36-A170 WeakPolarHBondContact CG-O 3.46Å; Q36-V176 HydrophobicContact CG-CG2 3.99Å
37T94.9Very high88.1Confident1 Ų156.1 Ų56.11%0.00628%0.277CS..Hα-helixtrans-62.2-50175.4-640000111.1F33 L34 E35 T39 R40 F41 I64 F73 V176 I180F33-T37 VanDerWaalsContact O-CB 3.26Å; F33-T37 WeakPolarHBondContact O-CB 3.29Å; F33-T37 PolarHBondContact O-N 2.87Å; F33-T37 PolarHBondContact O-OG1 3.42Å; L34-T37 WeakPolarHBondContact O-CB 3.25Å; L34-T37 PolarHBondContact O-N 3.34Å; E35-T37 VanDerWaalsContact C-N 3.32Å; E35-T37 PolarHBondContact O-N 2.8Å; T37-T39 VanDerWaalsContact C-N 3.28Å; T37-T39 PolarHBondContact O-N 2.91Å; T37-R40 PolarHBondContact O-N 3.21Å; T37-F41 HydrophobicContact CG2-CD2 4.05Å; T37-F41 HydrophobicContact CG2-CE2 4.49Å; T37-F41 WeakPolarHBondContact O-CD2 3.39Å; T37-F41 PolarHBondContact O-N 2.67Å; T37-I64 HydrophobicContact CG2-CD1 3.6Å; T37-I64 HydrophobicContact CG2-CG2 3.98Å; T37-F73 HydrophobicContact CG2-CE2 3.95Å; T37-F73 HydrophobicContact CG2-CZ 4.09Å; T37-V176 VanDerWaalsContact OG1-CG1 3.28Å; T37-V176 WeakPolarHBondContact OG1-CG1 3.36Å; T37-I180 HydrophobicContact CG2-CD1 4.02Å; T37-I180 HydrophobicContact CG2-CG1 3.86Å
38K93.2Very high86.9Confident16 Ų1655.8 Ų55.87%0.0727%0.273CS..Hα-helixtrans-55.8-44.8175.3-69.9171.6-175.7168.80111.4L34 E35 R40 N42 Y45 I64L34-K38 HydrophobicContact CD1-CG 4.45Å; L34-K38 WeakPolarHBondContact O-CG 3.49Å; L34-K38 PolarHBondContact O-N 3.41Å; E35-K38 PolarHBondContact O-N 2.93Å; E35-K38 IonicContact OE1-NZ 3.99Å; E35-K38 PolarHBondContact OE1-NZ 3.23Å; K38-R40 VanDerWaalsContact C-N 3.34Å; K38-R40 PolarHBondContact O-N 3.19Å; K38-N42 WeakPolarHBondContact O-CA 3.31Å; K38-N42 VanDerWaalsContact O-CB 3.23Å; K38-N42 WeakPolarHBondContact O-CB 3.39Å; K38-N42 PolarHBondContact O-N 3.01Å; K38-Y45 HydrophobicContact CB-CD1 3.55Å; K38-Y45 HydrophobicContact CB-CE1 3.55Å; K38-Y45 HydrophobicContact CB-CG 4.27Å; K38-Y45 HydrophobicContact CD-CE1 3.78Å; K38-Y45 HydrophobicContact CD-CE2 4.48Å; K38-Y45 HydrophobicContact CG-CE1 4.33Å; K38-I64 HydrophobicContact CG-CG2 4.39Å
39T91.6Very high85.4Confident62 Ų6258.6 Ų58.638%0.3829%0.293SS..Hα-helixtrans-62.9-38.2-179.7-57.60000112.4E35 Q36 T37E35-T39 WeakPolarHBondContact O-CB 3.2Å; E35-T39 PolarHBondContact O-N 2.6Å; E35-T39 PolarHBondContact O-OG1 2.85Å; Q36-T39 PolarHBondContact O-N 3.12Å; T37-T39 VanDerWaalsContact C-N 3.28Å; T37-T39 PolarHBondContact O-N 2.91Å
40R90.3Very high84.2Confident113 Ų11360.4 Ų60.443%0.42630%0.3SS..Hα-helixtrans-77.2-36.8-178.9-67.7-140.2173.7-165.80.7113.6Q36 T37 K38 T172 G173 N177Q36-R40 WeakPolarHBondContact O-CG 3.43Å; Q36-R40 PolarHBondContact O-N 2.91Å; T37-R40 PolarHBondContact O-N 3.21Å; K38-R40 VanDerWaalsContact C-N 3.34Å; K38-R40 PolarHBondContact O-N 3.19Å; R40-T172 PolarHBondContact NH2-O 3.44Å; R40-G173 PolarHBondContact NH2-O 2.87Å; R40-N177 VanDerWaalsContact CD-OD1 3.22Å; R40-N177 WeakPolarHBondContact CD-OD1 3.24Å
41F90Very high82.4Confident43 Ų4364.9 Ų64.919%0.18933%0.332CS..Hα-helixtrans-97.4-22.8-173.5-71.7-85.6000113.8T37 I64 V66 N177 I180T37-F41 HydrophobicContact CG2-CD2 4.05Å; T37-F41 HydrophobicContact CG2-CE2 4.49Å; T37-F41 WeakPolarHBondContact O-CD2 3.39Å; T37-F41 PolarHBondContact O-N 2.67Å; F41-I64 HydrophobicContact CB-CB 3.92Å; F41-I64 HydrophobicContact CB-CD1 4.2Å; F41-I64 HydrophobicContact CB-CG2 4.07Å; F41-I64 HydrophobicContact CD2-CD1 4.05Å; F41-I64 HydrophobicContact CG-CD1 4.03Å; F41-V66 HydrophobicContact CD1-CG2 3.76Å; F41-V66 HydrophobicContact CE1-CG1 4.32Å; F41-V66 HydrophobicContact CE1-CG2 3.93Å; F41-V66 HydrophobicContact CG-CG2 4.42Å; F41-N177 WeakPolarHBondContact CE2-OD1 3.47Å; F41-N177 HydrophobicContact CZ-CB 4.24Å; F41-I180 HydrophobicContact CE1-CG2 4.28Å; F41-I180 HydrophobicContact CE2-CB 3.94Å; F41-I180 HydrophobicContact CE2-CG1 4.11Å; F41-I180 HydrophobicContact CE2-CG2 3.88Å; F41-I180 HydrophobicContact CZ-CB 3.95Å; F41-I180 HydrophobicContact CZ-CG2 3.74Å
42N87Confident81.1Confident41 Ų4171 Ų7122%0.21936%0.357CS..  trans-106.596.2176-61.6-21.5000110.4K38 N44 Y45 T63K38-N42 WeakPolarHBondContact O-CA 3.31Å; K38-N42 VanDerWaalsContact O-CB 3.23Å; K38-N42 WeakPolarHBondContact O-CB 3.39Å; K38-N42 PolarHBondContact O-N 3.01Å; N42-N44 PolarHBondContact O-N 3.37Å; N42-Y45 WeakPolarHBondContact O-CB 3.38Å; N42-Y45 PolarHBondContact O-N 3.18Å; N42-T63 PolarHBondContact ND2-O 2.69Å
43K72.8Confident80.1Confident210 Ų21071.7 Ų71.791%0.91336%0.359SS*.THydrogen-bonded Turntrans-54.4-26.9-177.8-67.4-176.1178.1-179.20115.1
44N74Confident78.9Confident162 Ų16277.2 Ų77.287%0.86639%0.393SS*.THydrogen-bonded Turntrans-97.80.4-179.1-63.8-21.3000113.2N42 K46N42-N44 PolarHBondContact O-N 3.37Å; N44-K46 PolarHBondContact O-N 2.82Å
45Y77.7Confident77.7Confident80 Ų8081 Ų8131%0.31442%0.416SS..  trans-80.8109.7179.7-171-112.7000109.7E35 K38 N42 G47E35-Y45 WeakPolarHBondContact OE2-CE1 3.12Å; E35-Y45 PolarHBondContact OE2-OH 3.32Å; K38-Y45 HydrophobicContact CB-CD1 3.55Å; K38-Y45 HydrophobicContact CB-CE1 3.55Å; K38-Y45 HydrophobicContact CB-CG 4.27Å; K38-Y45 HydrophobicContact CD-CE1 3.78Å; K38-Y45 HydrophobicContact CD-CE2 4.48Å; K38-Y45 HydrophobicContact CG-CE1 4.33Å; N42-Y45 WeakPolarHBondContact O-CB 3.38Å; N42-Y45 PolarHBondContact O-N 3.18Å; Y45-G47 VanDerWaalsContact C-N 3.34Å; Y45-G47 PolarHBondContact O-N 2.74Å
46K61.1Low76.8Confident201 Ų20181.7 Ų81.787%0.87442%0.421SS*.  trans-74.895.6165-67.4-173-179.7-177.70106.5N44N44-K46 PolarHBondContact O-N 2.82Å
47G61Low76Confident32 Ų3286.5 Ų86.533%0.3345%0.452SS..PPolyproline II helixtrans-48.4148.2-179.500000112.6Y45Y45-G47 VanDerWaalsContact C-N 3.34Å; Y45-G47 PolarHBondContact O-N 2.74Å
48M67.8Low75.2Confident103 Ų10387.5 Ų87.551%0.50746%0.463SS..PPolyproline II helixtrans-64.8142.2166-170.7179.8-71.300108.8L50M48-L50 PolarHBondContact O-N 2.76Å; M48-L50 VanDerWaalsContact O-N 3.13Å
49S66.1Low74.9Confident62 Ų6289.6 Ų89.643%0.43447%0.474SS..PPolyproline II helixtrans-57.9121.2171.3-171.80000109S51 K52S49-S51 PolarHBondContact O-N 3.09Å; S49-S51 VanDerWaalsContact O-N 3.08Å; S49-S51 PolarHBondContact OG-OG 2.83Å; S49-K52 WeakPolarHBondContact O-CB 3.45Å; S49-K52 PolarHBondContact O-N 3.29Å
50L70.2Confident74.8Confident49 Ų4989 Ų8926%0.25747%0.468SS..G310 helixtrans-57.4-28-178.6-59.6-179.1000111.9T32 E35 M48 K52 I53 L171T32-L50 HydrophobicContact CG2-CD1 4.25Å; T32-L50 HydrophobicContact CG2-CD2 4.05Å; E35-L50 HydrophobicContact CB-CD2 4.08Å; M48-L50 PolarHBondContact O-N 2.76Å; M48-L50 VanDerWaalsContact O-N 3.13Å; L50-K52 PolarHBondContact O-N 2.83Å; L50-I53 HydrophobicContact CB-CD1 4.41Å; L50-I53 HydrophobicContact CD2-CD1 3.75Å; L50-I53 WeakPolarHBondContact O-CB 3.45Å; L50-I53 WeakPolarHBondContact O-CG1 3.43Å; L50-I53 PolarHBondContact O-N 3.48Å; L50-L171 HydrophobicContact CD1-CD1 3.91Å
51S59.9Low74.8Confident106 Ų10687.8 Ų87.874%0.74147%0.47SS*.G310 helixtrans-67.3-11.1174.658.90000115.3S49S49-S51 PolarHBondContact O-N 3.09Å; S49-S51 VanDerWaalsContact O-N 3.08Å; S49-S51 PolarHBondContact OG-OG 2.83Å
52K67.7Low74.9Confident151 Ų15185.9 Ų85.966%0.65746%0.462SS*.G310 helixtrans-101.2-0.3177.5-65.6-176.3178.1-177.30113.1S49 L50 T54S49-K52 WeakPolarHBondContact O-CB 3.45Å; S49-K52 PolarHBondContact O-N 3.29Å; L50-K52 PolarHBondContact O-N 2.83Å; K52-T54 PolarHBondContact O-N 3.35Å
53I74.5Confident75.2Confident43 Ų4387 Ų8722%0.22147%0.471CS..  trans-71.1115.5179.2-63.8176.7000108.3T31 E35 L50T31-I53 HydrophobicContact CG2-CG2 3.71Å; E35-I53 HydrophobicContact CB-CD1 4.3Å; E35-I53 HydrophobicContact CG-CD1 4.07Å; L50-I53 HydrophobicContact CB-CD1 4.41Å; L50-I53 HydrophobicContact CD2-CD1 3.75Å; L50-I53 WeakPolarHBondContact O-CB 3.45Å; L50-I53 WeakPolarHBondContact O-CG1 3.43Å; L50-I53 PolarHBondContact O-N 3.48Å
54T72.4Confident76.2Confident117 Ų11777 Ų7772%0.71843%0.427SS*.PPolyproline II helixtrans-101170171.956.60000110.2K52 T56K52-T54 PolarHBondContact O-N 3.35Å; T54-T56 PolarHBondContact O-N 3.28Å
55T70.6Confident77.1Confident79 Ų7971.6 Ų71.649%0.48540%0.398SS..PPolyproline II helixtrans-58.4126.1176.7-49.50000111.2V57 Q79T55-V57 PolarHBondContact O-N 2.63Å; T55-Q79 HydrophobicContact CG2-CG 4.2Å
56T76.2Confident77.8Confident22 Ų2269.2 Ų69.214%0.13539%0.392CS..PPolyproline II helixtrans-68.3119.2178.4-57.90000111.1T31 T54 N60 G77T31-T56 PolarHBondContact OG1-OG1 2.88Å; T54-T56 PolarHBondContact O-N 3.28Å; T56-N60 HydrophobicContact CG2-CB 4.2Å; T56-G77 WeakPolarHBondContact O-CA 3.28Å
57V76.9Confident79.1Confident124 Ų12462.8 Ų62.875%0.75238%0.383SS*.  trans-95.7112169.5-1770000108T55T55-V57 PolarHBondContact O-N 2.63Å
58G77.6Confident80.4Confident22 Ų2269.8 Ų69.823%0.22740%0.404CS..SBendtrans86.2-115.3-179.800000113.6G77G58-G77 PolarHBondContact O-N 3.43Å
59L86.9Confident81.6Confident60 Ų6065.6 Ų65.631%0.31439%0.385SS..EExtended strand (participates in β ladder)trans-133.9128.1-170.2167.564.9000111.1I61 W74 L76 Y89L59-I61 HydrophobicContact CD1-CG1 4.22Å; L59-I61 HydrophobicContact CD2-CD1 4.16Å; L59-I61 HydrophobicContact CD2-CG1 4.13Å; L59-I61 HydrophobicContact CG-CG1 4.01Å; L59-W74 HydrophobicContact CD1-CB 3.52Å; L59-W74 HydrophobicContact CD1-CG 4Å; L59-L76 HydrophobicContact CB-CD2 3.86Å; L59-L76 HydrophobicContact CD1-CD2 3.59Å; L59-L76 HydrophobicContact CD1-CG 4.5Å; L59-L76 HydrophobicContact CG-CD2 4.26Å; L59-Y89 HydrophobicContact CD2-CE1 3.78Å
60N89.4Confident83Confident48 Ų4866.1 Ų66.126%0.25738%0.377SS..EExtended strand (participates in β ladder)trans-109.6135.9167178.520.8000109.7T56 D75T56-N60 HydrophobicContact CG2-CB 4.2Å; N60-D75 HydrophobicContact CB-CB 4.12Å; N60-D75 PolarHBondContact N-O 2.61Å; N60-D75 PolarHBondContact O-N 3.33Å
61I91.6Very high84.2Confident89 Ų8963.8 Ų63.846%0.45637%0.365SS..EExtended strand (participates in β ladder)trans-111.4133.3-179-55.4-177.7000109.7L59 M72 F73L59-I61 HydrophobicContact CD1-CG1 4.22Å; L59-I61 HydrophobicContact CD2-CD1 4.16Å; L59-I61 HydrophobicContact CD2-CG1 4.13Å; L59-I61 HydrophobicContact CG-CG1 4.01Å; I61-M72 HydrophobicContact CG2-CG 3.91Å; I61-M72 HydrophobicContact CG2-SD 4.19Å; I61-F73 WeakPolarHBondContact CA-O 3.43Å
62G91.6Very high86Confident3 Ų359.6 Ų59.63%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-136.1148.7173.100000112.1M72 F73G62-M72 CarbonylContact O-C 3.51Å; G62-M72 WeakPolarHBondContact O-CA 3.35Å; G62-F73 PolarHBondContact N-O 2.96Å; G62-F73 VanDerWaalsContact N-O 3.07Å; G62-F73 PolarHBondContact O-N 2.73Å
63T92.9Very high87.4Confident65 Ų6552.4 Ų52.440%0.39930%0.302SS..EExtended strand (participates in β ladder)trans-128.3142.3177.854.90000111.1N42 L71 M72N42-T63 PolarHBondContact ND2-O 2.69Å; T63-L71 VanDerWaalsContact CA-O 3.32Å; T63-L71 WeakPolarHBondContact CA-O 3.31Å; T63-M72 HydrophobicContact CG2-CB 4.15Å; T63-M72 HydrophobicContact CG2-CG 4.01Å
64I94.3Very high88.4Confident0 Ų050.9 Ų50.90%029%0.294CS..EExtended strand (participates in β ladder)trans-134.1155.8168.869.7177.3000109.5T37 K38 F41 V66 R70 L71 F73 I180T37-I64 HydrophobicContact CG2-CD1 3.6Å; T37-I64 HydrophobicContact CG2-CG2 3.98Å; K38-I64 HydrophobicContact CG-CG2 4.39Å; F41-I64 HydrophobicContact CB-CB 3.92Å; F41-I64 HydrophobicContact CB-CD1 4.2Å; F41-I64 HydrophobicContact CB-CG2 4.07Å; F41-I64 HydrophobicContact CD2-CD1 4.05Å; F41-I64 HydrophobicContact CG-CD1 4.03Å; I64-V66 HydrophobicContact CD1-CG2 3.73Å; I64-V66 HydrophobicContact CG1-CG2 4.07Å; I64-R70 WeakPolarHBondContact O-CA 3.5Å; I64-L71 HydrophobicContact CD1-CD1 4.38Å; I64-L71 HydrophobicContact CG1-CB 4.01Å; I64-L71 PolarHBondContact N-O 3.03Å; I64-L71 PolarHBondContact O-N 3.43Å; I64-F73 HydrophobicContact CD1-CE2 3.71Å; I64-F73 HydrophobicContact CD1-CZ 3.85Å; I64-F73 HydrophobicContact CG1-CE2 3.73Å; I64-F73 HydrophobicContact CG1-CZ 4.26Å; I64-F73 HydrophobicContact CG2-CE2 4.19Å; I64-I180 HydrophobicContact CD1-CG2 3.66Å
65D92.8Very high89.5Confident47 Ų4745.3 Ų45.325%0.25126%0.26SS..EExtended strand (participates in β ladder)trans-113.6121.4172.2-69.4-45000109.6R15 R70R15-D65 IonicContact CZ-OD2 2.62Å; R15-D65 IonicContact NH1-OD1 2.68Å; R15-D65 IonicContact NH1-OD2 3.75Å; R15-D65 PolarHBondContact NH1-OD2 3.28Å; D65-R70 WeakPolarHBondContact OD1-CB 3.46Å; D65-R70 WeakPolarHBondContact OD1-CG 3.4Å; D65-R70 IonicContact OD1-CZ 2.79Å; D65-R70 IonicContact OD1-NE 3.56Å; D65-R70 PolarHBondContact OD1-NE 3.48Å; D65-R70 IonicContact OD1-NH2 2.76Å; D65-R70 PolarHBondContact OD1-NH2 3.42Å; D65-R70 IonicContact OD2-CZ 3.85Å; D65-R70 IonicContact OD2-NE 3.38Å; D65-R70 IonicContact OD2-NH2 3.53Å; D65-R70 PolarHBondContact OD2-NH2 3.37Å; D65-R70 VanDerWaalsContact OD2-NH2 3.12Å
66V92.7Very high90.5Very high30 Ų3041.6 Ų41.618%0.18224%0.237CC..EExtended strand (participates in β ladder)trans-118.4100.5177.5-172.10000108.3F41 I64 K68 T69 I180 V184F41-V66 HydrophobicContact CD1-CG2 3.76Å; F41-V66 HydrophobicContact CE1-CG1 4.32Å; F41-V66 HydrophobicContact CE1-CG2 3.93Å; F41-V66 HydrophobicContact CG-CG2 4.42Å; I64-V66 HydrophobicContact CD1-CG2 3.73Å; I64-V66 HydrophobicContact CG1-CG2 4.07Å; V66-K68 PolarHBondContact O-N 2.65Å; V66-T69 PolarHBondContact N-O 2.74Å; V66-T69 PolarHBondContact O-N 3.15Å; V66-I180 HydrophobicContact CG2-CG2 4.01Å; V66-V184 HydrophobicContact CB-CG2 4.02Å; V66-V184 HydrophobicContact CG1-CG2 4.17Å; V66-V184 HydrophobicContact CG2-CG2 4.2Å
67G88.9Confident91.2Very high67 Ų6740.7 Ų40.769%0.69123%0.232SC*.THydrogen-bonded Turntrans62.6-117.5-17400000112
68K88.1Confident91.8Very high179 Ų17934.9 Ų34.978%0.77820%0.197SC*.THydrogen-bonded Turntrans-93.5-3.8176.5-64.1-173.6-179.3-177.20113.4R15 V66R15-K68 WeakPolarHBondContact CB-O 3.3Å; V66-K68 PolarHBondContact O-N 2.65Å
69T92.7Very high92.4Very high15 Ų1537.2 Ų37.29%0.09220%0.202CC..EExtended strand (participates in β ladder)trans-102.1135.4-175-570000110.1Y18 V66 L71 V184 V188Y18-T69 HydrophobicContact CD2-CG2 3.52Å; Y18-T69 HydrophobicContact CE2-CG2 3.72Å; V66-T69 PolarHBondContact N-O 2.74Å; V66-T69 PolarHBondContact O-N 3.15Å; T69-L71 HydrophobicContact CG2-CD2 4.06Å; T69-V184 HydrophobicContact CG2-CG1 4.23Å; T69-V188 HydrophobicContact CG2-CG2 4.23Å
70R94.6Very high92.5Very high73 Ų7339.6 Ų39.628%0.27521%0.211SC..EExtended strand (participates in β ladder)trans-105.1125.6170.1178169.2-71.5-179.4-2.9109.3R15 D16 E17 Y18 I64 D65R15-R70 HydrophobicContact CB-CB 4.4Å; D16-R70 PolarHBondContact O-N 2.96Å; E17-R70 CarbonylContact C-O 3.54Å; E17-R70 WeakPolarHBondContact CA-O 3.29Å; E17-R70 HydrophobicContact CB-CB 4.38Å; E17-R70 HydrophobicContact CG-CB 4.31Å; E17-R70 HydrophobicContact CG-CG 4.06Å; E17-R70 VanDerWaalsContact OE2-CD 3.24Å; E17-R70 WeakPolarHBondContact OE2-CD 3.46Å; Y18-R70 PolarHBondContact N-O 2.81Å; I64-R70 WeakPolarHBondContact O-CA 3.5Å; D65-R70 WeakPolarHBondContact OD1-CB 3.46Å; D65-R70 WeakPolarHBondContact OD1-CG 3.4Å; D65-R70 IonicContact OD1-CZ 2.79Å; D65-R70 IonicContact OD1-NE 3.56Å; D65-R70 PolarHBondContact OD1-NE 3.48Å; D65-R70 IonicContact OD1-NH2 2.76Å; D65-R70 PolarHBondContact OD1-NH2 3.42Å; D65-R70 IonicContact OD2-CZ 3.85Å; D65-R70 IonicContact OD2-NE 3.38Å; D65-R70 IonicContact OD2-NH2 3.53Å; D65-R70 PolarHBondContact OD2-NH2 3.37Å; D65-R70 VanDerWaalsContact OD2-NH2 3.12Å
71L96.7Very high92.4Very high0 Ų044 Ų440%023%0.231CC..EExtended strand (participates in β ladder)trans-100.7128.7169.1-59.9-172.4000109.2Y18 V20 T63 I64 T69 F73 I180 V184 V187Y18-L71 WeakPolarHBondContact O-CA 3.43Å; V20-L71 HydrophobicContact CG2-CD1 4.48Å; V20-L71 HydrophobicContact CG2-CD2 4.15Å; T63-L71 VanDerWaalsContact CA-O 3.32Å; T63-L71 WeakPolarHBondContact CA-O 3.31Å; I64-L71 HydrophobicContact CD1-CD1 4.38Å; I64-L71 HydrophobicContact CG1-CB 4.01Å; I64-L71 PolarHBondContact N-O 3.03Å; I64-L71 PolarHBondContact O-N 3.43Å; T69-L71 HydrophobicContact CG2-CD2 4.06Å; L71-F73 HydrophobicContact CB-CE1 4.47Å; L71-F73 HydrophobicContact CB-CE2 4.02Å; L71-F73 HydrophobicContact CB-CZ 3.87Å; L71-F73 HydrophobicContact CD1-CE1 4.34Å; L71-F73 HydrophobicContact CD1-CZ 3.86Å; L71-I180 HydrophobicContact CD1-CG2 4.2Å; L71-V184 HydrophobicContact CD1-CG2 3.72Å; L71-V184 HydrophobicContact CD2-CG2 4.3Å; L71-V184 HydrophobicContact CG-CG2 4.09Å; L71-V187 HydrophobicContact CD2-CG2 4.19Å
72M96.1Very high92.2Very high18 Ų1841.3 Ų41.39%0.08922%0.217CC..EExtended strand (participates in β ladder)trans-108.4111.9170-178.4177.458.200108.8Y18 C19 V20 I61 G62 T63 W74 R196Y18-M72 PolarHBondContact O-N 3.49Å; C19-M72 CarbonylContact C-O 3.55Å; C19-M72 VanDerWaalsContact CA-O 3.3Å; C19-M72 WeakPolarHBondContact CA-O 3.21Å; C19-M72 HydrophobicContact CB-CE 4.29Å; C19-M72 WeakPolarHBondContact SG-CE 3.3Å; V20-M72 PolarHBondContact N-O 3.12Å; I61-M72 HydrophobicContact CG2-CG 3.91Å; I61-M72 HydrophobicContact CG2-SD 4.19Å; G62-M72 CarbonylContact O-C 3.51Å; G62-M72 WeakPolarHBondContact O-CA 3.35Å; T63-M72 HydrophobicContact CG2-CB 4.15Å; T63-M72 HydrophobicContact CG2-CG 4.01Å; M72-W74 HydrophobicContact CE-CZ2 3.43Å; M72-W74 VanDerWaalsContact CE-CZ2 3.43Å; M72-R196 VanDerWaalsContact CE-NH1 3.34Å
73F97.4Very high92.2Very high0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-87.8137.4178.7-58.9-78.8000111.5V20 I22 L34 T37 I61 G62 I64 L71 I97 I180V20-F73 HydrophobicContact CB-CD1 3.8Å; V20-F73 HydrophobicContact CB-CE1 3.97Å; V20-F73 HydrophobicContact CG1-CD1 3.92Å; V20-F73 HydrophobicContact CG1-CE1 3.95Å; V20-F73 CarbonylContact O-C 3.6Å; V20-F73 VanDerWaalsContact O-CA 3.23Å; V20-F73 WeakPolarHBondContact O-CA 3.42Å; I22-F73 HydrophobicContact CD1-CB 3.9Å; I22-F73 HydrophobicContact CD1-CD1 3.84Å; I22-F73 HydrophobicContact CD1-CG 4.05Å; I22-F73 HydrophobicContact CG1-CB 4.34Å; I22-F73 HydrophobicContact CG1-CD1 4.02Å; L34-F73 HydrophobicContact CD1-CB 3.55Å; L34-F73 HydrophobicContact CD1-CD2 3.51Å; L34-F73 HydrophobicContact CD1-CE2 4.38Å; L34-F73 HydrophobicContact CD1-CG 3.67Å; L34-F73 HydrophobicContact CD2-CB 4.47Å; T37-F73 HydrophobicContact CG2-CE2 3.95Å; T37-F73 HydrophobicContact CG2-CZ 4.09Å; I61-F73 WeakPolarHBondContact CA-O 3.43Å; G62-F73 PolarHBondContact N-O 2.96Å; G62-F73 VanDerWaalsContact N-O 3.07Å; G62-F73 PolarHBondContact O-N 2.73Å; I64-F73 HydrophobicContact CD1-CE2 3.71Å; I64-F73 HydrophobicContact CD1-CZ 3.85Å; I64-F73 HydrophobicContact CG1-CE2 3.73Å; I64-F73 HydrophobicContact CG1-CZ 4.26Å; I64-F73 HydrophobicContact CG2-CE2 4.19Å; L71-F73 HydrophobicContact CB-CE1 4.47Å; L71-F73 HydrophobicContact CB-CE2 4.02Å; L71-F73 HydrophobicContact CB-CZ 3.87Å; L71-F73 HydrophobicContact CD1-CE1 4.34Å; L71-F73 HydrophobicContact CD1-CZ 3.86Å; F73-I97 HydrophobicContact CD1-CD1 4.45Å; F73-I97 HydrophobicContact CE1-CD1 3.93Å; F73-I180 HydrophobicContact CE1-CD1 3.94Å; F73-I180 HydrophobicContact CZ-CD1 3.66Å
74W96.1Very high92Very high10 Ų1042.5 Ų42.54%0.03823%0.225CC..EExtended strand (participates in β ladder)trans-113.699.1167.5-63.1-22.3000108.6C19 V20 L21 I22 L59 M72 Y89 E92C19-W74 HydrophobicContact CB-CE3 4.42Å; C19-W74 HydrophobicContact CB-CH2 3.75Å; C19-W74 HydrophobicContact CB-CZ2 3.92Å; C19-W74 HydrophobicContact CB-CZ3 4.02Å; C19-W74 VanDerWaalsContact SG-CZ2 3.54Å; V20-W74 PolarHBondContact O-N 3.42Å; L21-W74 HydrophobicContact CD2-CB 3.96Å; L21-W74 HydrophobicContact CD2-CD2 4.26Å; L21-W74 HydrophobicContact CD2-CE3 3.4Å; L21-W74 VanDerWaalsContact CD2-CE3 3.4Å; L21-W74 HydrophobicContact CD2-CZ3 4.19Å; I22-W74 PolarHBondContact N-O 3.05Å; L59-W74 HydrophobicContact CD1-CB 3.52Å; L59-W74 HydrophobicContact CD1-CG 4Å; M72-W74 HydrophobicContact CE-CZ2 3.43Å; M72-W74 VanDerWaalsContact CE-CZ2 3.43Å; W74-Y89 HydrophobicContact CD2-CD1 4.26Å; W74-Y89 AromaticContact CE3-CD1 3.69Å; W74-Y89 HydrophobicContact CE3-CD1 3.69Å; W74-Y89 HydrophobicContact CE3-CG 4.2Å; W74-Y89 HydrophobicContact CZ3-CD1 4Å; W74-E92 HydrophobicContact CH2-CB 3.58Å; W74-E92 HydrophobicContact CH2-CG 4.5Å; W74-E92 WeakPolarHBondContact CH2-OE2 3.47Å; W74-E92 HydrophobicContact CZ3-CB 3.78Å
75D94.9Very high91.8Very high0 Ų044.5 Ų44.50%024%0.235CC..EExtended strand (participates in β ladder)trans-86.3109.2175.917139.8000109.1I22 K30 T31 L34 N60I22-D75 HydrophobicContact CB-CB 4.41Å; I22-D75 HydrophobicContact CD1-CB 4.49Å; K30-D75 VanDerWaalsContact CB-OD1 3.23Å; K30-D75 WeakPolarHBondContact CB-OD1 3.12Å; T31-D75 WeakPolarHBondContact CA-OD2 3.41Å; T31-D75 VanDerWaalsContact CB-OD2 3.32Å; T31-D75 WeakPolarHBondContact CB-OD2 3.31Å; T31-D75 PolarHBondContact OG1-OD2 3.47Å; L34-D75 HydrophobicContact CD2-CB 3.76Å; N60-D75 HydrophobicContact CB-CB 4.12Å; N60-D75 PolarHBondContact N-O 2.61Å; N60-D75 PolarHBondContact O-N 3.33Å
76L93.1Very high91.9Very high2 Ų242.5 Ų42.51%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-99149.3-176.4-64.8-178.9000111.3I22 L23 K30 L59 G78 W86 Y89I22-L76 PolarHBondContact O-N 2.97Å; L23-L76 HydrophobicContact CD2-CB 4.12Å; L23-L76 HydrophobicContact CD2-CD1 3.78Å; L23-L76 HydrophobicContact CD2-CG 4.26Å; K30-L76 WeakPolarHBondContact CE-O 3.11Å; L59-L76 HydrophobicContact CB-CD2 3.86Å; L59-L76 HydrophobicContact CD1-CD2 3.59Å; L59-L76 HydrophobicContact CD1-CG 4.5Å; L59-L76 HydrophobicContact CG-CD2 4.26Å; L76-G78 PolarHBondContact O-N 3.44Å; L76-W86 HydrophobicContact CD1-CB 4.42Å; L76-W86 HydrophobicContact CD1-CG 4.27Å; L76-Y89 HydrophobicContact CD1-CD2 3.56Å; L76-Y89 HydrophobicContact CD1-CE2 4.11Å; L76-Y89 HydrophobicContact CD1-CG 4.22Å; L76-Y89 HydrophobicContact CD2-CD2 3.95Å; L76-Y89 HydrophobicContact CD2-CE2 3.7Å; L76-Y89 HydrophobicContact CG-CD2 4.4Å
77G90.7Very high91.9Very high2 Ų245.5 Ų45.52%0.02124%0.239CC..  trans-53.1136.8170.400000112T56 G58 W86T56-G77 WeakPolarHBondContact O-CA 3.28Å; G58-G77 PolarHBondContact O-N 3.43Å; G77-W86 PolarHBondContact O-NE1 3.49Å
78G89.8Confident92.2Very high2 Ų249.1 Ų49.12%0.02124%0.236CC..  trans-100.3-8.7-177.500000115.4G24 D26 L76 Q83G24-G78 VanDerWaalsContact O-CA 3.23Å; G24-G78 WeakPolarHBondContact O-CA 3.5Å; D26-G78 PolarHBondContact N-O 2.82Å; L76-G78 PolarHBondContact O-N 3.44Å; G78-Q83 PolarHBondContact O-NE2 2.96Å
79Q89.9Confident92.5Very high72 Ų7243.4 Ų43.434%0.33621%0.21SC..SBendtrans-60.9143.1176.3-66179.6-28.800109.8D26 T55 E81 L82 Q83D26-Q79 HydrophobicContact CB-CG 3.94Å; T55-Q79 HydrophobicContact CG2-CG 4.2Å; Q79-E81 PolarHBondContact O-N 2.88Å; Q79-E81 VanDerWaalsContact O-N 3.09Å; Q79-L82 HydrophobicContact CB-CD1 4.35Å; Q79-L82 HydrophobicContact CB-CG 4.37Å; Q79-L82 CarbonylContact O-C 3.56Å; Q79-L82 WeakPolarHBondContact O-CA 3.42Å; Q79-L82 PolarHBondContact O-N 2.83Å; Q79-Q83 WeakPolarHBondContact O-CG 3.41Å; Q79-Q83 PolarHBondContact O-N 3.25Å
80E88.6Confident92.7Very high109 Ų10943.2 Ų43.251%0.50921%0.208SC..THydrogen-bonded Turntrans-51-39.3-174.6-171.1168.3-152.300112.4L82 Q83 R113E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.81Å; E80-Q83 PolarHBondContact O-N 2.91Å; E80-R113 IonicContact OE1-CZ 3.79Å; E80-R113 IonicContact OE1-NH2 2.92Å; E80-R113 PolarHBondContact OE1-NH2 3.03Å
81E87.3Confident92.7Very high142 Ų14242.8 Ų42.866%0.66422%0.22SC*.THydrogen-bonded Turntrans-64.5-34.6178.2-56.679.4-172.600112.6Q79 S84Q79-E81 PolarHBondContact O-N 2.88Å; Q79-E81 VanDerWaalsContact O-N 3.09Å; E81-S84 PolarHBondContact O-OG 3.16Å
82L87.3Confident92.4Very high32 Ų3247.7 Ų47.717%0.16824%0.243CC..THydrogen-bonded Turntrans-87.1-18.3-178.5-61.1179.6000113Q79 E80 S84 L85Q79-L82 HydrophobicContact CB-CD1 4.35Å; Q79-L82 HydrophobicContact CB-CG 4.37Å; Q79-L82 CarbonylContact O-C 3.56Å; Q79-L82 WeakPolarHBondContact O-CA 3.42Å; Q79-L82 PolarHBondContact O-N 2.83Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.81Å; L82-S84 PolarHBondContact O-N 3.42Å; L82-S84 VanDerWaalsContact O-N 3.14Å; L82-L85 HydrophobicContact CD2-CD1 4.3Å; L82-L85 WeakPolarHBondContact O-CB 3.35Å; L82-L85 PolarHBondContact O-N 3.36Å
83Q90.7Very high92.4Very high22 Ų2246.9 Ų46.910%0.10324%0.239CC..G310 helixtrans-61.6-21.8176.5-65.1-179.120.800112.5G78 Q79 E80 L85 W86G78-Q83 PolarHBondContact O-NE2 2.96Å; Q79-Q83 WeakPolarHBondContact O-CG 3.41Å; Q79-Q83 PolarHBondContact O-N 3.25Å; E80-Q83 PolarHBondContact O-N 2.91Å; Q83-L85 PolarHBondContact O-N 3.17Å; Q83-W86 HydrophobicContact CB-CD2 4.29Å; Q83-W86 HydrophobicContact CB-CZ2 4.36Å; Q83-W86 HydrophobicContact CG-CD2 4.43Å; Q83-W86 HydrophobicContact CG-CH2 3.96Å; Q83-W86 HydrophobicContact CG-CZ2 3.62Å; Q83-W86 HydrophobicContact CG-CZ3 4.49Å; Q83-W86 WeakPolarHBondContact O-CB 3.31Å; Q83-W86 PolarHBondContact O-N 2.62Å
84S88.6Confident92.5Very high70 Ų7047.6 Ų47.649%0.4924%0.242SC..G310 helixtrans-62.3-13.7171.465.90000114.3E81 L82 D87E81-S84 PolarHBondContact O-OG 3.16Å; L82-S84 PolarHBondContact O-N 3.42Å; L82-S84 VanDerWaalsContact O-N 3.14Å; S84-D87 VanDerWaalsContact O-OD1 3.1Å
85L90.1Very high92.6Very high43 Ų4347.1 Ų47.123%0.22524%0.24CC..G310 helixtrans-91.2-13.7177.8-61.8175.4000113.2L82 Q83 D87 K88 Y89L82-L85 HydrophobicContact CD2-CD1 4.3Å; L82-L85 WeakPolarHBondContact O-CB 3.35Å; L82-L85 PolarHBondContact O-N 3.36Å; Q83-L85 PolarHBondContact O-N 3.17Å; L85-D87 VanDerWaalsContact C-N 3.34Å; L85-D87 PolarHBondContact O-N 3.36Å; L85-K88 HydrophobicContact CD2-CD 4.05Å; L85-K88 VanDerWaalsContact CD2-NZ 3.35Å; L85-K88 WeakPolarHBondContact O-CB 3.28Å; L85-K88 PolarHBondContact O-N 2.92Å; L85-Y89 WeakPolarHBondContact O-CD2 3.34Å
86W95Very high92.7Very high4 Ų447.1 Ų47.12%0.01524%0.24CC..SBendtrans-62.2-41.8-172.9-67.11.8000112.4L23 G24 L76 G77 Q83 K88 Y89 Y90 Y98 A114L23-W86 HydrophobicContact CB-CE3 4.45Å; L23-W86 HydrophobicContact CB-CH2 4.33Å; L23-W86 HydrophobicContact CB-CZ2 4.34Å; L23-W86 HydrophobicContact CB-CZ3 4.38Å; L23-W86 HydrophobicContact CD1-CD2 4.37Å; L23-W86 HydrophobicContact CD1-CE3 4.21Å; L23-W86 HydrophobicContact CD2-CB 4.39Å; L23-W86 HydrophobicContact CD2-CD2 3.88Å; L23-W86 HydrophobicContact CD2-CE3 4.48Å; L23-W86 HydrophobicContact CD2-CG 3.83Å; L23-W86 HydrophobicContact CG-CD2 4.48Å; G24-W86 WeakPolarHBondContact O-CZ2 3.37Å; L76-W86 HydrophobicContact CD1-CB 4.42Å; L76-W86 HydrophobicContact CD1-CG 4.27Å; G77-W86 PolarHBondContact O-NE1 3.49Å; Q83-W86 HydrophobicContact CB-CD2 4.29Å; Q83-W86 HydrophobicContact CB-CZ2 4.36Å; Q83-W86 HydrophobicContact CG-CD2 4.43Å; Q83-W86 HydrophobicContact CG-CH2 3.96Å; Q83-W86 HydrophobicContact CG-CZ2 3.62Å; Q83-W86 HydrophobicContact CG-CZ3 4.49Å; Q83-W86 WeakPolarHBondContact O-CB 3.31Å; Q83-W86 PolarHBondContact O-N 2.62Å; W86-K88 PolarHBondContact O-N 3.06Å; W86-Y89 PolarHBondContact O-N 3.46Å; W86-Y90 VanDerWaalsContact C-CE1 3.47Å; W86-Y90 HydrophobicContact CB-CE1 3.75Å; W86-Y90 WeakPolarHBondContact CB-OH 3.28Å; W86-Y90 WeakPolarHBondContact O-CD1 3.26Å; W86-Y90 WeakPolarHBondContact O-CE1 3.31Å; W86-Y98 HydrophobicContact CH2-CE2 4.27Å; W86-Y98 HydrophobicContact CZ3-CE2 4.28Å; W86-A114 HydrophobicContact CH2-CB 4.14Å; W86-A114 HydrophobicContact CZ3-CB 4.09Å
87D93.8Very high93Very high94 Ų9447 Ų4750%0.50324%0.24SC..G310 helixtrans-61.1-30.5-177.361.4-4.5000113.9S84 L85 Y89 Y90S84-D87 VanDerWaalsContact O-OD1 3.1Å; L85-D87 VanDerWaalsContact C-N 3.34Å; L85-D87 PolarHBondContact O-N 3.36Å; D87-Y89 PolarHBondContact O-N 2.92Å; D87-Y89 VanDerWaalsContact O-N 3.14Å; D87-Y90 HydrophobicContact CB-CD2 4.09Å; D87-Y90 HydrophobicContact CB-CE2 3.96Å; D87-Y90 PolarHBondContact O-N 2.97Å
88K94.1Very high93.4Very high143 Ų14347 Ų4762%0.62224%0.239SC*.G310 helixtrans-60.6-22.6175.8-58.1-176-178.1176.70113.3L85 W86L85-K88 HydrophobicContact CD2-CD 4.05Å; L85-K88 VanDerWaalsContact CD2-NZ 3.35Å; L85-K88 WeakPolarHBondContact O-CB 3.28Å; L85-K88 PolarHBondContact O-N 2.92Å; W86-K88 PolarHBondContact O-N 3.06Å
89Y95.1Very high93.8Very high58 Ų5846.9 Ų46.923%0.22724%0.238CC..G310 helixtrans-107.7-6-176.3-61-84.4000113.8L59 W74 L76 L85 W86 D87 A91 S93L59-Y89 HydrophobicContact CD2-CE1 3.78Å; W74-Y89 HydrophobicContact CD2-CD1 4.26Å; W74-Y89 AromaticContact CE3-CD1 3.69Å; W74-Y89 HydrophobicContact CE3-CD1 3.69Å; W74-Y89 HydrophobicContact CE3-CG 4.2Å; W74-Y89 HydrophobicContact CZ3-CD1 4Å; L76-Y89 HydrophobicContact CD1-CD2 3.56Å; L76-Y89 HydrophobicContact CD1-CE2 4.11Å; L76-Y89 HydrophobicContact CD1-CG 4.22Å; L76-Y89 HydrophobicContact CD2-CD2 3.95Å; L76-Y89 HydrophobicContact CD2-CE2 3.7Å; L76-Y89 HydrophobicContact CG-CD2 4.4Å; L85-Y89 WeakPolarHBondContact O-CD2 3.34Å; W86-Y89 PolarHBondContact O-N 3.46Å; D87-Y89 PolarHBondContact O-N 2.92Å; D87-Y89 VanDerWaalsContact O-N 3.14Å; Y89-A91 PolarHBondContact O-N 3.4Å; Y89-S93 PolarHBondContact O-N 3.13Å
90Y96.3Very high94.2Very high11 Ų1143.5 Ų43.54%0.04322%0.222CC..THydrogen-bonded Turntrans-63.3-44.2-176-68.8-11.2000112.7L21 L23 W86 D87 E92 S93 M118 S121 L124L21-Y90 HydrophobicContact CD1-CD1 3.59Å; L21-Y90 HydrophobicContact CD1-CE1 4.09Å; L23-Y90 HydrophobicContact CD1-CE1 3.89Å; W86-Y90 VanDerWaalsContact C-CE1 3.47Å; W86-Y90 HydrophobicContact CB-CE1 3.75Å; W86-Y90 WeakPolarHBondContact CB-OH 3.28Å; W86-Y90 WeakPolarHBondContact O-CD1 3.26Å; W86-Y90 WeakPolarHBondContact O-CE1 3.31Å; D87-Y90 HydrophobicContact CB-CD2 4.09Å; D87-Y90 HydrophobicContact CB-CE2 3.96Å; D87-Y90 PolarHBondContact O-N 2.97Å; Y90-E92 PolarHBondContact O-N 3.45Å; Y90-S93 WeakPolarHBondContact O-CB 3.29Å; Y90-S93 PolarHBondContact O-N 2.86Å; Y90-S93 VanDerWaalsContact O-N 3.08Å; Y90-S93 PolarHBondContact O-OG 3.26Å; Y90-M118 HydrophobicContact CE1-CG 4.27Å; Y90-S121 WeakPolarHBondContact CD2-OG 3.37Å; Y90-L124 HydrophobicContact CD1-CD1 3.88Å; Y90-L124 HydrophobicContact CD1-CD2 4Å; Y90-L124 HydrophobicContact CD1-CG 4.08Å; Y90-L124 HydrophobicContact CD2-CD1 4.12Å; Y90-L124 HydrophobicContact CD2-CG 4.06Å; Y90-L124 HydrophobicContact CE1-CD1 4.01Å; Y90-L124 HydrophobicContact CE2-CD1 4.26Å; Y90-L124 HydrophobicContact CG-CD1 3.94Å; Y90-L124 HydrophobicContact CG-CD2 3.91Å; Y90-L124 HydrophobicContact CG-CG 3.75Å
91A94.4Very high94.7Very high64 Ų6439 Ų3953%0.52920%0.201SC..THydrogen-bonded Turntrans-61.6-32.4-17500000113.4Y89 R193Y89-A91 PolarHBondContact O-N 3.4Å; A91-R193 PolarHBondContact O-NH1 3.47Å; A91-R193 VanDerWaalsContact O-NH1 3.09Å
92E92.1Very high95.2Very high104 Ų10432.2 Ų32.249%0.48617%0.17SC..THydrogen-bonded Turntrans-92.4-4-179.5-57-171.9150.700113.1C19 W74 Y90 H94C19-E92 WeakPolarHBondContact CB-O 3.23Å; W74-E92 HydrophobicContact CH2-CB 3.58Å; W74-E92 HydrophobicContact CH2-CG 4.5Å; W74-E92 WeakPolarHBondContact CH2-OE2 3.47Å; W74-E92 HydrophobicContact CZ3-CB 3.78Å; Y90-E92 PolarHBondContact O-N 3.45Å; E92-H94 PolarHBondContact O-CE1 3.13Å; E92-H94 PolarHBondContact O-ND1 3.46Å
93S96.1Very high95.6Very high1 Ų133.1 Ų33.11%0.00718%0.177CC..  trans-79.3139.1-178.975.80000112.1Y89 Y90 L124Y89-S93 PolarHBondContact O-N 3.13Å; Y90-S93 WeakPolarHBondContact O-CB 3.29Å; Y90-S93 PolarHBondContact O-N 2.86Å; Y90-S93 VanDerWaalsContact O-N 3.08Å; Y90-S93 PolarHBondContact O-OG 3.26Å; S93-L124 WeakPolarHBondContact OG-CD2 3.28Å
94H98.1Very high95.9Very high15 Ų1533.5 Ų33.57%0.06918%0.18CC..SBendtrans-104.7-18.5175.6-54.869.2000111.3Y18 C19 E92 P128 V187 P194Y18-H94 HydrophobicContact CD1-CB 3.93Å; Y18-H94 AromaticContact CD1-CD2 3.62Å; Y18-H94 AromaticContact CD1-CG 3.92Å; Y18-H94 HydrophobicContact CG-CB 4.49Å; C19-H94 PolarHBondContact N-ND1 3.41Å; C19-H94 WeakPolarHBondContact O-CA 3.42Å; C19-H94 WeakPolarHBondContact O-CB 3.45Å; C19-H94 PolarHBondContact O-N 2.72Å; E92-H94 PolarHBondContact O-CE1 3.13Å; E92-H94 PolarHBondContact O-ND1 3.46Å; H94-P128 VanDerWaalsContact O-CD 3.23Å; H94-P128 WeakPolarHBondContact O-CD 3.34Å; H94-P128 WeakPolarHBondContact O-CG 3.49Å; H94-V187 HydrophobicContact CB-CB 4.48Å; H94-V187 HydrophobicContact CB-CG1 4.33Å; H94-V187 WeakPolarHBondContact O-CG1 3.22Å; H94-P194 PolarHBondContact CD2-O 3.04Å; H94-P194 PolarHBondContact NE2-O 2.93Å
95G98.3Very high96.2Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-158.3159.5174.800000111.2C19 V20 L21C19-G95 PolarHBondContact O-N 3.39Å; V20-G95 CarbonylContact C-O 3.58Å; V20-G95 VanDerWaalsContact CA-O 3.3Å; V20-G95 WeakPolarHBondContact CA-O 3.43Å; L21-G95 PolarHBondContact N-O 2.79Å
96V98.5Very high96.5Very high0 Ų043.4 Ų43.40%022%0.217CC..EExtended strand (participates in β ladder)trans-127.8132.31771800000109.9L21 L23 M118 L124 V127 P128 I129 L130 M183L21-V96 HydrophobicContact CB-CG1 4.46Å; L21-V96 HydrophobicContact CB-CG2 4.32Å; L21-V96 HydrophobicContact CD1-CG2 4.28Å; L23-V96 HydrophobicContact CD1-CG1 3.92Å; L23-V96 HydrophobicContact CG-CG1 4.31Å; V96-M118 HydrophobicContact CG1-SD 3.71Å; V96-L124 HydrophobicContact CG2-CD1 4.24Å; V96-L124 HydrophobicContact CG2-CD2 3.92Å; V96-V127 HydrophobicContact CG2-CG1 4.07Å; V96-P128 PolarHBondContact N-O 3.37Å; V96-I129 HydrophobicContact CB-CG1 4.42Å; V96-I129 CarbonylContact O-C 3.51Å; V96-I129 WeakPolarHBondContact O-CA 3.44Å; V96-L130 PolarHBondContact O-N 3.12Å; V96-M183 VanDerWaalsContact O-CE 3.26Å; V96-M183 WeakPolarHBondContact O-CE 3.38Å
97I98.7Very high96.5Very high0 Ų046.1 Ų46.10%023%0.227CC..EExtended strand (participates in β ladder)trans-106.9115.3167.3-58.4179.4000106.9V20 L21 I22 L23 F33 F73 V99 L130 L132 I180 M183V20-I97 HydrophobicContact CG1-CD1 3.89Å; V20-I97 HydrophobicContact CG1-CG1 3.74Å; L21-I97 PolarHBondContact O-N 3.27Å; I22-I97 WeakPolarHBondContact CA-O 3.36Å; I22-I97 HydrophobicContact CG1-CB 4.46Å; L23-I97 PolarHBondContact N-O 2.87Å; F33-I97 HydrophobicContact CE1-CD1 3.77Å; F33-I97 HydrophobicContact CE1-CG2 4.38Å; F33-I97 HydrophobicContact CZ-CD1 4.33Å; F73-I97 HydrophobicContact CD1-CD1 4.45Å; F73-I97 HydrophobicContact CE1-CD1 3.93Å; I97-V99 HydrophobicContact CG2-CG2 4.14Å; I97-L130 CarbonylContact C-O 3.58Å; I97-L130 VanDerWaalsContact CA-O 3.31Å; I97-L130 WeakPolarHBondContact CA-O 3.42Å; I97-L130 HydrophobicContact CD1-CD2 4.39Å; I97-L130 HydrophobicContact CG1-CB 4.27Å; I97-L130 HydrophobicContact CG1-CD2 4.23Å; I97-L132 HydrophobicContact CG2-CD1 3.48Å; I97-L132 VanDerWaalsContact CG2-CD1 3.48Å; I97-L132 HydrophobicContact CG2-CG 3.9Å; I97-I180 HydrophobicContact CD1-CD1 4.04Å; I97-M183 HydrophobicContact CG1-CE 3.79Å
98Y98.6Very high96.6Very high0 Ų042.6 Ų42.60%021%0.209CC..EExtended strand (participates in β ladder)trans-103.9118.1175-168-90.1000109.7L23 W86 I100 S111 F115 M118 L130 V131 L132L23-Y98 HydrophobicContact CB-CD2 4.04Å; L23-Y98 WeakPolarHBondContact O-CA 3.48Å; W86-Y98 HydrophobicContact CH2-CE2 4.27Å; W86-Y98 HydrophobicContact CZ3-CE2 4.28Å; Y98-I100 HydrophobicContact CD1-CD1 4.34Å; Y98-I100 HydrophobicContact CD1-CG1 3.81Å; Y98-I100 HydrophobicContact CE1-CD1 4.38Å; Y98-I100 HydrophobicContact CE1-CG1 3.72Å; Y98-S111 WeakPolarHBondContact CE1-OG 3.26Å; Y98-S111 PolarHBondContact OH-O 3.41Å; Y98-S111 PolarHBondContact OH-OG 3.12Å; Y98-F115 HydrophobicContact CD1-CB 4.46Å; Y98-F115 AromaticContact CD1-CD2 3.63Å; Y98-F115 HydrophobicContact CD1-CD2 3.63Å; Y98-F115 HydrophobicContact CD1-CE2 4.36Å; Y98-F115 HydrophobicContact CD1-CG 4.45Å; Y98-F115 AromaticContact CD2-CD2 3.84Å; Y98-F115 HydrophobicContact CD2-CD2 3.84Å; Y98-F115 HydrophobicContact CE1-CB 3.95Å; Y98-F115 AromaticContact CE1-CD2 3.99Å; Y98-F115 HydrophobicContact CE1-CD2 3.99Å; Y98-F115 HydrophobicContact CE1-CG 4.4Å; Y98-F115 HydrophobicContact CE2-CB 4.06Å; Y98-F115 HydrophobicContact CE2-CD2 4.17Å; Y98-F115 AromaticContact CG-CD2 3.56Å; Y98-F115 HydrophobicContact CG-CD2 3.56Å; Y98-F115 HydrophobicContact CG-CE2 4.17Å; Y98-M118 HydrophobicContact CD2-CE 4.35Å; Y98-M118 HydrophobicContact CD2-SD 3.85Å; Y98-L130 PolarHBondContact N-O 3.16Å; Y98-V131 CarbonylContact O-C 3.59Å; Y98-V131 WeakPolarHBondContact O-CA 3.23Å; Y98-L132 PolarHBondContact O-N 3.26Å
99V98.6Very high96.7Very high0 Ų040 Ų400%021%0.208CC..EExtended strand (participates in β ladder)trans-100.7122.8-175.2-169.20000109.9I22 L23 A28 K30 I97 L132 N134I22-V99 HydrophobicContact CG2-CG2 3.91Å; L23-V99 PolarHBondContact O-N 3.03Å; A28-V99 HydrophobicContact CB-CB 4.37Å; A28-V99 HydrophobicContact CB-CG1 4.16Å; A28-V99 WeakPolarHBondContact CB-O 3.34Å; A28-V99 VanDerWaalsContact O-CG1 3.31Å; A28-V99 WeakPolarHBondContact O-CG1 3.22Å; K30-V99 HydrophobicContact CG-CB 3.96Å; K30-V99 HydrophobicContact CG-CG2 3.94Å; I97-V99 HydrophobicContact CG2-CG2 4.14Å; V99-L132 HydrophobicContact CG2-CD1 4.42Å; V99-N134 HydrophobicContact CG1-CB 3.66Å
100I98.4Very high96.7Very high1 Ų139.3 Ų39.31%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-106132175.6-62.3172.4000108.2Y98 S102 L108 V131 L132 N134 I147 F151Y98-I100 HydrophobicContact CD1-CD1 4.34Å; Y98-I100 HydrophobicContact CD1-CG1 3.81Å; Y98-I100 HydrophobicContact CE1-CD1 4.38Å; Y98-I100 HydrophobicContact CE1-CG1 3.72Å; I100-S102 PolarHBondContact O-N 3.43Å; I100-L108 HydrophobicContact CG2-CD1 3.87Å; I100-V131 HydrophobicContact CD1-CG1 3.51Å; I100-V131 HydrophobicContact CG1-CG1 4.24Å; I100-L132 PolarHBondContact N-O 3.12Å; I100-N134 WeakPolarHBondContact O-CA 3.45Å; I100-N134 WeakPolarHBondContact O-CB 3.3Å; I100-N134 PolarHBondContact O-N 2.93Å; I100-I147 HydrophobicContact CD1-CG2 3.66Å; I100-I147 HydrophobicContact CG2-CD1 4.37Å; I100-F151 HydrophobicContact CD1-CD2 4.45Å; I100-F151 HydrophobicContact CD1-CE1 3.92Å; I100-F151 HydrophobicContact CD1-CE2 3.85Å; I100-F151 HydrophobicContact CD1-CZ 3.55Å; I100-F151 HydrophobicContact CG1-CZ 4.19Å
101D98Very high96.8Very high14 Ų1439 Ų398%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-74.9109.2166.2-168.7-19.8000109.3A28 T103 D104 K135A28-D101 HydrophobicContact CB-CB 4.4Å; D101-T103 PolarHBondContact O-N 3.41Å; D101-T103 WeakPolarHBondContact OD1-CB 3.38Å; D101-T103 PolarHBondContact OD1-N 2.96Å; D101-T103 PolarHBondContact OD1-OG1 2.81Å; D101-D104 HydrophobicContact CB-CB 3.89Å; D101-D104 PolarHBondContact O-N 3.18Å; D101-K135 VanDerWaalsContact OD1-CD 3.29Å; D101-K135 WeakPolarHBondContact OD1-CD 3.23Å; D101-K135 IonicContact OD1-NZ 3.94Å; D101-K135 WeakPolarHBondContact OD2-CE 3.35Å; D101-K135 IonicContact OD2-NZ 2.83Å; D101-K135 PolarHBondContact OD2-NZ 3.19Å
102S98Very high96.9Very high0 Ų038 Ų380%019%0.19CC..THydrogen-bonded Turntrans-74-9.1-179.8-45.60000112.6I100 A133 N134 Q136 C141 L142I100-S102 PolarHBondContact O-N 3.43Å; S102-A133 VanDerWaalsContact OG-C 3.27Å; S102-N134 WeakPolarHBondContact CB-O 3.39Å; S102-N134 PolarHBondContact N-O 2.76Å; S102-N134 PolarHBondContact OG-N 2.95Å; S102-N134 PolarHBondContact OG-O 2.84Å; S102-Q136 VanDerWaalsContact CB-NE2 3.25Å; S102-Q136 PolarHBondContact OG-NE2 2.87Å; S102-C141 CarbonylContact O-C 3.45Å; S102-C141 WeakPolarHBondContact O-CA 2.95Å; S102-L142 WeakPolarHBondContact O-CB 3.27Å; S102-L142 WeakPolarHBondContact O-CG 3.35Å; S102-L142 PolarHBondContact O-N 3Å
103T97.3Very high97.1Very high52 Ų5240 Ų4032%0.31919%0.193SC..THydrogen-bonded Turntrans-96.2-7.7-179.463.70000113.2D101 K135 V138 C141D101-T103 PolarHBondContact O-N 3.41Å; D101-T103 WeakPolarHBondContact OD1-CB 3.38Å; D101-T103 PolarHBondContact OD1-N 2.96Å; D101-T103 PolarHBondContact OD1-OG1 2.81Å; T103-K135 HydrophobicContact CG2-CB 3.92Å; T103-K135 HydrophobicContact CG2-CD 4.49Å; T103-V138 HydrophobicContact CG2-CB 3.62Å; T103-V138 HydrophobicContact CG2-CG1 3.76Å; T103-V138 HydrophobicContact CG2-CG2 3.9Å; T103-C141 HydrophobicContact CG2-CB 3.9Å
104D96.1Very high97.1Very high30 Ų3040.2 Ų40.216%0.1620%0.195CC..  trans-111.476.8-171.7-163.5-26000110.8D101 E106 R107 L108D101-D104 HydrophobicContact CB-CB 3.89Å; D101-D104 PolarHBondContact O-N 3.18Å; D104-E106 VanDerWaalsContact C-N 3.3Å; D104-E106 PolarHBondContact O-N 2.91Å; D104-R107 WeakPolarHBondContact OD1-CB 3.49Å; D104-R107 PolarHBondContact OD1-N 2.9Å; D104-R107 IonicContact OD1-NE 3.12Å; D104-R107 IonicContact OD2-CZ 2.69Å; D104-R107 IonicContact OD2-NE 3.94Å; D104-R107 PolarHBondContact OD2-NE 2.81Å; D104-R107 IonicContact OD2-NH2 3.52Å; D104-R107 PolarHBondContact OD2-NH2 2.8Å; D104-L108 PolarHBondContact O-N 2.68Å
105E94.9Very high97Very high142 Ų14239.7 Ų39.766%0.66419%0.193SC*.SBendtrans-66.1-34.3-179.9-169.5175.3172.300111.9R107 L108 L142E105-R107 PolarHBondContact O-N 2.84Å; E105-L108 VanDerWaalsContact O-CB 3.23Å; E105-L108 WeakPolarHBondContact O-CB 3.37Å; E105-L108 PolarHBondContact O-N 3.14Å; E105-L142 HydrophobicContact CB-CD1 4.48Å
106E95.4Very high96.9Very high178 Ų17842.8 Ų42.883%0.83221%0.207SC*.THydrogen-bonded Turntrans-61.2-44.2-179.9-63.5-173.7170.700111.6D104D104-E106 VanDerWaalsContact C-N 3.3Å; D104-E106 PolarHBondContact O-N 2.91Å
107R95.9Very high96.8Very high61 Ų6149.3 Ų49.323%0.2324%0.235CC..THydrogen-bonded Turntrans-90.76178.7-60.6-167.8-67158.15114L25 D26 D104 E105 S109 E110 S111L25-R107 HydrophobicContact CD1-CB 3.98Å; D26-R107 IonicContact OD1-NH1 2.69Å; D26-R107 IonicContact OD2-CZ 3.13Å; D26-R107 IonicContact OD2-NH1 2.73Å; D26-R107 PolarHBondContact OD2-NH1 2.91Å; D104-R107 WeakPolarHBondContact OD1-CB 3.49Å; D104-R107 PolarHBondContact OD1-N 2.9Å; D104-R107 IonicContact OD1-NE 3.12Å; D104-R107 IonicContact OD2-CZ 2.69Å; D104-R107 IonicContact OD2-NE 3.94Å; D104-R107 PolarHBondContact OD2-NE 2.81Å; D104-R107 IonicContact OD2-NH2 3.52Å; D104-R107 PolarHBondContact OD2-NH2 2.8Å; E105-R107 PolarHBondContact O-N 2.84Å; R107-S109 VanDerWaalsContact C-N 3.25Å; R107-S109 PolarHBondContact O-N 3.4Å; R107-E110 WeakPolarHBondContact O-CB 3.28Å; R107-E110 PolarHBondContact O-N 2.92Å; R107-E110 VanDerWaalsContact O-N 3.17Å; R107-S111 PolarHBondContact O-N 2.89Å
108L95.6Very high96.6Very high21 Ų2149.3 Ų49.311%0.1124%0.236CC..Hα-helixtrans-61.3-37.1177.4-165.568.7000111.9I100 D104 E105 S111 K112 L142 A150 F151I100-L108 HydrophobicContact CG2-CD1 3.87Å; D104-L108 PolarHBondContact O-N 2.68Å; E105-L108 VanDerWaalsContact O-CB 3.23Å; E105-L108 WeakPolarHBondContact O-CB 3.37Å; E105-L108 PolarHBondContact O-N 3.14Å; L108-S111 PolarHBondContact O-N 2.82Å; L108-K112 WeakPolarHBondContact O-CB 3.35Å; L108-K112 PolarHBondContact O-N 3.41Å; L108-L142 HydrophobicContact CD1-CD1 4.25Å; L108-L142 HydrophobicContact CD2-CD1 3.73Å; L108-A150 HydrophobicContact CD2-CB 3.54Å; L108-A150 HydrophobicContact CG-CB 4.28Å; L108-F151 HydrophobicContact CD1-CE2 3.74Å; L108-F151 HydrophobicContact CD1-CZ 4.43Å; L108-F151 HydrophobicContact CG-CE2 4.06Å
109S95.6Very high96.5Very high88 Ų8849.3 Ų49.362%0.61524%0.236SC*.Hα-helixtrans-65.3-39.7176.164.50000112.5R107 K112 R113R107-S109 VanDerWaalsContact C-N 3.25Å; R107-S109 PolarHBondContact O-N 3.4Å; S109-K112 WeakPolarHBondContact O-CB 3.38Å; S109-K112 PolarHBondContact O-N 3.38Å; S109-R113 PolarHBondContact O-N 3.36Å
110E96.5Very high96.3Very high43 Ų4353.1 Ų53.120%0.20126%0.259CS..Hα-helixtrans-65.3-44.3173.9-171.9-164153.900110.9L25 R107 K112 R113 A114L25-E110 HydrophobicContact CD1-CB 4.06Å; L25-E110 HydrophobicContact CD1-CG 4.12Å; L25-E110 HydrophobicContact CD2-CG 4.16Å; R107-E110 WeakPolarHBondContact O-CB 3.28Å; R107-E110 PolarHBondContact O-N 2.92Å; R107-E110 VanDerWaalsContact O-N 3.17Å; E110-K112 VanDerWaalsContact C-N 3.33Å; E110-K112 PolarHBondContact O-N 3.23Å; E110-R113 WeakPolarHBondContact O-CB 3.41Å; E110-R113 PolarHBondContact O-N 3.3Å; E110-R113 VanDerWaalsContact O-N 3.16Å; E110-A114 PolarHBondContact O-N 2.86Å
111S97.1Very high96.2Very high5 Ų554.6 Ų54.64%0.03527%0.269CS..Hα-helixtrans-61.4-42.9176.6-177.20000110.8Y98 R107 L108 R113 A114 F115Y98-S111 WeakPolarHBondContact CE1-OG 3.26Å; Y98-S111 PolarHBondContact OH-O 3.41Å; Y98-S111 PolarHBondContact OH-OG 3.12Å; R107-S111 PolarHBondContact O-N 2.89Å; L108-S111 PolarHBondContact O-N 2.82Å; S111-R113 VanDerWaalsContact C-N 3.35Å; S111-R113 PolarHBondContact O-N 3.08Å; S111-A114 PolarHBondContact O-N 3.21Å; S111-F115 WeakPolarHBondContact O-CB 3.32Å; S111-F115 PolarHBondContact O-N 3.26Å
112K96.8Very high96Very high44 Ų4462 Ų6219%0.19130%0.303CS..Hα-helixtrans-56.8-46.4173.3-179.3-174.1179.2167.90111.9L108 S109 E110 A114 F115 E116 A150 F151 D153L108-K112 WeakPolarHBondContact O-CB 3.35Å; L108-K112 PolarHBondContact O-N 3.41Å; S109-K112 WeakPolarHBondContact O-CB 3.38Å; S109-K112 PolarHBondContact O-N 3.38Å; E110-K112 VanDerWaalsContact C-N 3.33Å; E110-K112 PolarHBondContact O-N 3.23Å; K112-A114 PolarHBondContact O-N 3.31Å; K112-F115 PolarHBondContact O-N 2.95Å; K112-E116 VanDerWaalsContact O-CB 3.3Å; K112-E116 WeakPolarHBondContact O-CB 3.24Å; K112-E116 PolarHBondContact O-N 2.75Å; K112-A150 WeakPolarHBondContact CD-O 3.46Å; K112-A150 WeakPolarHBondContact CE-O 3.39Å; K112-A150 PolarHBondContact NZ-O 3.03Å; K112-F151 HydrophobicContact CB-CD1 4.38Å; K112-F151 HydrophobicContact CB-CE1 4.05Å; K112-F151 HydrophobicContact CB-CE2 4.38Å; K112-F151 HydrophobicContact CB-CZ 4.04Å; K112-F151 HydrophobicContact CG-CD1 4.38Å; K112-D153 IonicContact NZ-OD2 3.51Å; K112-D153 PolarHBondContact NZ-OD2 3.4Å
113R95.9Very high95.9Very high145 Ų14563.5 Ų63.555%0.54732%0.316SS..Hα-helixtrans-61.5-42.7178.1-174.8-179.768172.15.9111.9E80 S109 E110 S111 E116 K117E80-R113 IonicContact OE1-CZ 3.79Å; E80-R113 IonicContact OE1-NH2 2.92Å; E80-R113 PolarHBondContact OE1-NH2 3.03Å; S109-R113 PolarHBondContact O-N 3.36Å; E110-R113 WeakPolarHBondContact O-CB 3.41Å; E110-R113 PolarHBondContact O-N 3.3Å; E110-R113 VanDerWaalsContact O-N 3.16Å; S111-R113 VanDerWaalsContact C-N 3.35Å; S111-R113 PolarHBondContact O-N 3.08Å; R113-E116 PolarHBondContact O-N 3.28Å; R113-K117 PolarHBondContact O-N 3.48Å
114A96.7Very high95.8Very high5 Ų561 Ų614%0.04130%0.301CS..Hα-helixtrans-66.2-43.3176.600000112L25 W86 E110 S111 K112 E116 K117 M118L25-A114 HydrophobicContact CD2-CB 4.17Å; W86-A114 HydrophobicContact CH2-CB 4.14Å; W86-A114 HydrophobicContact CZ3-CB 4.09Å; E110-A114 PolarHBondContact O-N 2.86Å; S111-A114 PolarHBondContact O-N 3.21Å; K112-A114 PolarHBondContact O-N 3.31Å; A114-E116 VanDerWaalsContact C-N 3.33Å; A114-E116 PolarHBondContact O-N 2.88Å; A114-K117 PolarHBondContact O-N 2.83Å; A114-M118 PolarHBondContact O-N 2.9Å; A114-M118 VanDerWaalsContact O-N 3.12Å
115F97.1Very high95.6Very high4 Ų466.7 Ų66.72%0.01833%0.327CS..Hα-helixtrans-60.7-43.3174-178.6-97.5000111.5Y98 S111 K112 M118 V119 I129 V131 F151 C154 I158Y98-F115 HydrophobicContact CD1-CB 4.46Å; Y98-F115 AromaticContact CD1-CD2 3.63Å; Y98-F115 HydrophobicContact CD1-CD2 3.63Å; Y98-F115 HydrophobicContact CD1-CE2 4.36Å; Y98-F115 HydrophobicContact CD1-CG 4.45Å; Y98-F115 AromaticContact CD2-CD2 3.84Å; Y98-F115 HydrophobicContact CD2-CD2 3.84Å; Y98-F115 HydrophobicContact CE1-CB 3.95Å; Y98-F115 AromaticContact CE1-CD2 3.99Å; Y98-F115 HydrophobicContact CE1-CD2 3.99Å; Y98-F115 HydrophobicContact CE1-CG 4.4Å; Y98-F115 HydrophobicContact CE2-CB 4.06Å; Y98-F115 HydrophobicContact CE2-CD2 4.17Å; Y98-F115 AromaticContact CG-CD2 3.56Å; Y98-F115 HydrophobicContact CG-CD2 3.56Å; Y98-F115 HydrophobicContact CG-CE2 4.17Å; S111-F115 WeakPolarHBondContact O-CB 3.32Å; S111-F115 PolarHBondContact O-N 3.26Å; K112-F115 PolarHBondContact O-N 2.95Å; F115-M118 HydrophobicContact CD2-CE 3.52Å; F115-M118 HydrophobicContact CE2-CE 3.53Å; F115-M118 HydrophobicContact CG-CE 4.27Å; F115-M118 HydrophobicContact CZ-CE 4.27Å; F115-M118 PolarHBondContact O-N 3.2Å; F115-V119 HydrophobicContact CD1-CB 4.46Å; F115-V119 HydrophobicContact CD1-CG1 4.38Å; F115-V119 HydrophobicContact CE1-CB 4.14Å; F115-V119 HydrophobicContact CE1-CG1 4.26Å; F115-V119 HydrophobicContact CE1-CG2 4.22Å; F115-V119 HydrophobicContact CZ-CB 4.42Å; F115-V119 HydrophobicContact CZ-CG2 4.29Å; F115-V119 WeakPolarHBondContact O-CB 3.48Å; F115-V119 WeakPolarHBondContact O-CG1 3.48Å; F115-V119 PolarHBondContact O-N 3.32Å; F115-I129 HydrophobicContact CE2-CG2 4.11Å; F115-V131 HydrophobicContact CE2-CG2 3.85Å; F115-V131 HydrophobicContact CZ-CG2 4.18Å; F115-F151 HydrophobicContact CB-CD1 4.3Å; F115-F151 HydrophobicContact CB-CE1 3.79Å; F115-F151 AromaticContact CD1-CD1 3.94Å; F115-F151 HydrophobicContact CD1-CD1 3.94Å; F115-F151 HydrophobicContact CD1-CE1 4.29Å; F115-F151 HydrophobicContact CG-CD1 4.15Å; F115-F151 HydrophobicContact CG-CE1 4.03Å; F115-C154 HydrophobicContact CD1-CB 3.83Å; F115-C154 HydrophobicContact CE1-CB 3.75Å; F115-I158 HydrophobicContact CZ-CD1 4.44Å; F115-I158 HydrophobicContact CZ-CG1 4.47Å
116E95.9Very high95.5Very high66 Ų6661.7 Ų61.731%0.30831%0.313SS..Hα-helixtrans-60.9-46.4177.9179.3169.4159.600112K112 R113 A114 M118 V119 T120 K157K112-E116 VanDerWaalsContact O-CB 3.3Å; K112-E116 WeakPolarHBondContact O-CB 3.24Å; K112-E116 PolarHBondContact O-N 2.75Å; R113-E116 PolarHBondContact O-N 3.28Å; A114-E116 VanDerWaalsContact C-N 3.33Å; A114-E116 PolarHBondContact O-N 2.88Å; E116-M118 VanDerWaalsContact C-N 3.26Å; E116-M118 PolarHBondContact O-N 2.9Å; E116-V119 WeakPolarHBondContact O-CG1 3.21Å; E116-V119 PolarHBondContact O-N 3.19Å; E116-T120 HydrophobicContact CG-CG2 4.5Å; E116-T120 VanDerWaalsContact O-CG2 3.31Å; E116-T120 WeakPolarHBondContact O-CG2 3.44Å; E116-T120 PolarHBondContact O-N 3.07Å; E116-T120 PolarHBondContact O-OG1 2.94Å; E116-K157 HydrophobicContact CG-CD 3.95Å; E116-K157 IonicContact OE1-NZ 2.74Å; E116-K157 PolarHBondContact OE1-NZ 3.23Å; E116-K157 IonicContact OE2-NZ 2.72Å; E116-K157 PolarHBondContact OE2-NZ 3.32Å
117K95.3Very high95.6Very high136 Ų13653.2 Ų53.259%0.59127%0.273SS*.Hα-helixtrans-60.8-37.4176.9-173.2-176.2178.4-173.40112.2R113 A114 T120R113-K117 PolarHBondContact O-N 3.48Å; A114-K117 PolarHBondContact O-N 2.83Å; K117-T120 PolarHBondContact O-OG1 3.38Å
118M95.8Very high95.7Very high1 Ų150.4 Ų50.41%0.00526%0.263CS..Hα-helixtrans-70.7-51.7177.2175.1-146.869.500111.1L23 Y90 V96 Y98 A114 F115 E116 T120 S121 L124 I129L23-M118 HydrophobicContact CD1-CG 3.92Å; L23-M118 HydrophobicContact CD1-SD 3.71Å; Y90-M118 HydrophobicContact CE1-CG 4.27Å; V96-M118 HydrophobicContact CG1-SD 3.71Å; Y98-M118 HydrophobicContact CD2-CE 4.35Å; Y98-M118 HydrophobicContact CD2-SD 3.85Å; A114-M118 PolarHBondContact O-N 2.9Å; A114-M118 VanDerWaalsContact O-N 3.12Å; F115-M118 HydrophobicContact CD2-CE 3.52Å; F115-M118 HydrophobicContact CE2-CE 3.53Å; F115-M118 HydrophobicContact CG-CE 4.27Å; F115-M118 HydrophobicContact CZ-CE 4.27Å; F115-M118 PolarHBondContact O-N 3.2Å; E116-M118 VanDerWaalsContact C-N 3.26Å; E116-M118 PolarHBondContact O-N 2.9Å; M118-T120 PolarHBondContact O-N 3.47Å; M118-S121 WeakPolarHBondContact O-CB 3.33Å; M118-S121 PolarHBondContact O-N 3.47Å; M118-S121 VanDerWaalsContact O-N 3.08Å; M118-L124 HydrophobicContact CG-CD1 3.59Å; M118-I129 HydrophobicContact CE-CD1 3.98Å
119V95.3Very high95.8Very high0 Ų049.4 Ų49.40%026%0.258CS..Hα-helixtrans-66.1-25-171.578.20000112.8F115 E116 I129 K157 I158 R161F115-V119 HydrophobicContact CD1-CB 4.46Å; F115-V119 HydrophobicContact CD1-CG1 4.38Å; F115-V119 HydrophobicContact CE1-CB 4.14Å; F115-V119 HydrophobicContact CE1-CG1 4.26Å; F115-V119 HydrophobicContact CE1-CG2 4.22Å; F115-V119 HydrophobicContact CZ-CB 4.42Å; F115-V119 HydrophobicContact CZ-CG2 4.29Å; F115-V119 WeakPolarHBondContact O-CB 3.48Å; F115-V119 WeakPolarHBondContact O-CG1 3.48Å; F115-V119 PolarHBondContact O-N 3.32Å; E116-V119 WeakPolarHBondContact O-CG1 3.21Å; E116-V119 PolarHBondContact O-N 3.19Å; V119-I129 HydrophobicContact CG2-CD1 4.03Å; V119-K157 HydrophobicContact CG1-CB 3.74Å; V119-I158 HydrophobicContact CG2-CB 4.48Å; V119-I158 HydrophobicContact CG2-CG1 3.85Å; V119-R161 PolarHBondContact O-NH1 2.62Å; V119-R161 PolarHBondContact O-NH2 2.91Å
120T95.2Very high96Very high80 Ų8045.2 Ų45.249%0.49123%0.228SC..THydrogen-bonded Turntrans-85-5.5177.456.20000114.1E116 K117 M118 E122 K157E116-T120 HydrophobicContact CG-CG2 4.5Å; E116-T120 VanDerWaalsContact O-CG2 3.31Å; E116-T120 WeakPolarHBondContact O-CG2 3.44Å; E116-T120 PolarHBondContact O-N 3.07Å; E116-T120 PolarHBondContact O-OG1 2.94Å; K117-T120 PolarHBondContact O-OG1 3.38Å; M118-T120 PolarHBondContact O-N 3.47Å; T120-E122 PolarHBondContact O-N 3.47Å; T120-K157 HydrophobicContact CG2-CB 4.25Å; T120-K157 HydrophobicContact CG2-CD 3.83Å; T120-K157 HydrophobicContact CG2-CG 4.26Å
121S95.6Very high96.1Very high32 Ų3243.6 Ų43.622%0.22422%0.221CC..  trans-69.6125.4177.3-174.20000111.5Y90 M118 A123 L124Y90-S121 WeakPolarHBondContact CD2-OG 3.37Å; M118-S121 WeakPolarHBondContact O-CB 3.33Å; M118-S121 PolarHBondContact O-N 3.47Å; M118-S121 VanDerWaalsContact O-N 3.08Å; S121-A123 PolarHBondContact O-N 3.24Å; S121-A123 PolarHBondContact OG-N 2.97Å; S121-L124 PolarHBondContact O-N 2.87Å
122E94Very high96.1Very high168 Ų16843.3 Ų43.379%0.78522%0.219SC*.G310 helixtrans-59.1-30.3175.1-62.8-178.5173.200112.2T120 L124 E125T120-E122 PolarHBondContact O-N 3.47Å; E122-L124 PolarHBondContact O-N 3.45Å; E122-L124 VanDerWaalsContact O-N 3.13Å; E122-E125 VanDerWaalsContact O-CB 3.27Å; E122-E125 WeakPolarHBondContact O-CB 3.41Å; E122-E125 PolarHBondContact O-N 3.41Å
123A95.4Very high96.2Very high33 Ų3341.2 Ų41.227%0.27321%0.21SC..G310 helixtrans-62.7-21.4177.300000113.2S121 R193S121-A123 PolarHBondContact O-N 3.24Å; S121-A123 PolarHBondContact OG-N 2.97Å; A123-R193 PolarHBondContact O-NH2 3.18Å
124L95.4Very high96.3Very high0 Ų034.6 Ų34.60%019%0.186CC..G310 helixtrans-100.111.8176.3-64.4-179.3000113.2Y90 S93 V96 M118 S121 E122 G126 V127Y90-L124 HydrophobicContact CD1-CD1 3.88Å; Y90-L124 HydrophobicContact CD1-CD2 4Å; Y90-L124 HydrophobicContact CD1-CG 4.08Å; Y90-L124 HydrophobicContact CD2-CD1 4.12Å; Y90-L124 HydrophobicContact CD2-CG 4.06Å; Y90-L124 HydrophobicContact CE1-CD1 4.01Å; Y90-L124 HydrophobicContact CE2-CD1 4.26Å; Y90-L124 HydrophobicContact CG-CD1 3.94Å; Y90-L124 HydrophobicContact CG-CD2 3.91Å; Y90-L124 HydrophobicContact CG-CG 3.75Å; S93-L124 WeakPolarHBondContact OG-CD2 3.28Å; V96-L124 HydrophobicContact CG2-CD1 4.24Å; V96-L124 HydrophobicContact CG2-CD2 3.92Å; M118-L124 HydrophobicContact CG-CD1 3.59Å; S121-L124 PolarHBondContact O-N 2.87Å; E122-L124 PolarHBondContact O-N 3.45Å; E122-L124 VanDerWaalsContact O-N 3.13Å; L124-G126 PolarHBondContact O-N 3.46Å; L124-V127 HydrophobicContact CB-CB 4.47Å; L124-V127 HydrophobicContact CD2-CB 4.4Å; L124-V127 HydrophobicContact CD2-CG1 4.37Å; L124-V127 HydrophobicContact CD2-CG2 4.33Å; L124-V127 WeakPolarHBondContact O-CB 3.39Å; L124-V127 PolarHBondContact O-N 3.43Å; L124-V127 VanDerWaalsContact O-N 3.07Å
125E92.8Very high96.4Very high149 Ų14936.2 Ų36.270%0.69619%0.192SC*.THydrogen-bonded Turntrans-58.5130.9176.2-171.2173.9-166.600110.9E122 V127E122-E125 VanDerWaalsContact O-CB 3.27Å; E122-E125 WeakPolarHBondContact O-CB 3.41Å; E122-E125 PolarHBondContact O-N 3.41Å; E125-V127 PolarHBondContact O-N 2.99Å; E125-V127 VanDerWaalsContact O-N 3.11Å
126G93.1Very high96.4Very high36 Ų3638.9 Ų38.937%0.37120%0.204SC..THydrogen-bonded Turntrans69.2-0.2-177.900000115.3L124 N190L124-G126 PolarHBondContact O-N 3.46Å; G126-N190 PolarHBondContact O-ND2 2.95Å
127V97Very high96.4Very high1 Ų139.1 Ų39.11%0.00621%0.208CC..  trans-78.2127.3178.6178.50000109.7V96 L124 E125 R161 R193V96-V127 HydrophobicContact CG2-CG1 4.07Å; L124-V127 HydrophobicContact CB-CB 4.47Å; L124-V127 HydrophobicContact CD2-CB 4.4Å; L124-V127 HydrophobicContact CD2-CG1 4.37Å; L124-V127 HydrophobicContact CD2-CG2 4.33Å; L124-V127 WeakPolarHBondContact O-CB 3.39Å; L124-V127 PolarHBondContact O-N 3.43Å; L124-V127 VanDerWaalsContact O-N 3.07Å; E125-V127 PolarHBondContact O-N 2.99Å; E125-V127 VanDerWaalsContact O-N 3.11Å; V127-R161 WeakPolarHBondContact O-CD 3.3Å; V127-R193 HydrophobicContact CG2-CG 4.37Å
128P97.9Very high96.4Very high1 Ų135.3 Ų35.31%0.00620%0.196CC..  trans-65142.5178.327-36.4000112.3H94 V96 D162 W182 M183 C186 V187H94-P128 VanDerWaalsContact O-CD 3.23Å; H94-P128 WeakPolarHBondContact O-CD 3.34Å; H94-P128 WeakPolarHBondContact O-CG 3.49Å; V96-P128 PolarHBondContact N-O 3.37Å; P128-D162 WeakPolarHBondContact CA-O 3.32Å; P128-D162 HydrophobicContact CB-CB 4.06Å; P128-W182 HydrophobicContact CB-CH2 4.32Å; P128-M183 HydrophobicContact CG-SD 4.27Å; P128-C186 HydrophobicContact CB-CB 3.6Å; P128-C186 HydrophobicContact CG-CB 3.87Å; P128-V187 HydrophobicContact CG-CG1 4.02Å
129I98.2Very high96.2Very high1 Ų144.7 Ų44.71%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-122.8119.5-178.3-55.5-174000110.8V96 F115 M118 V119 V131 D162 C163 L164 W182V96-I129 HydrophobicContact CB-CG1 4.42Å; V96-I129 CarbonylContact O-C 3.51Å; V96-I129 WeakPolarHBondContact O-CA 3.44Å; F115-I129 HydrophobicContact CE2-CG2 4.11Å; M118-I129 HydrophobicContact CE-CD1 3.98Å; V119-I129 HydrophobicContact CG2-CD1 4.03Å; I129-V131 HydrophobicContact CG2-CG2 4.05Å; I129-D162 PolarHBondContact N-O 3.29Å; I129-C163 VanDerWaalsContact O-CA 3.25Å; I129-C163 WeakPolarHBondContact O-CA 3.14Å; I129-L164 PolarHBondContact O-N 3.37Å; I129-L164 VanDerWaalsContact O-N 3.09Å; I129-W182 VanDerWaalsContact O-CH2 3.28Å; I129-W182 WeakPolarHBondContact O-CH2 3.18Å
130L98.4Very high96.1Very high0 Ų050.5 Ų50.50%028%0.275CS..EExtended strand (participates in β ladder)trans-98.7114.6168.4179.162.3000109.2V96 I97 Y98 L132 L164 G179 W182 M183V96-L130 PolarHBondContact O-N 3.12Å; I97-L130 CarbonylContact C-O 3.58Å; I97-L130 VanDerWaalsContact CA-O 3.31Å; I97-L130 WeakPolarHBondContact CA-O 3.42Å; I97-L130 HydrophobicContact CD1-CD2 4.39Å; I97-L130 HydrophobicContact CG1-CB 4.27Å; I97-L130 HydrophobicContact CG1-CD2 4.23Å; Y98-L130 PolarHBondContact N-O 3.16Å; L130-L132 HydrophobicContact CD1-CD2 4.14Å; L130-L132 HydrophobicContact CD2-CD2 3.87Å; L130-L132 HydrophobicContact CD2-CG 4.27Å; L130-L132 HydrophobicContact CG-CD2 3.82Å; L130-L132 HydrophobicContact CG-CG 4.12Å; L130-L164 HydrophobicContact CD1-CB 4.03Å; L130-L164 HydrophobicContact CD1-CD2 3.94Å; L130-L164 HydrophobicContact CD1-CG 4.04Å; L130-G179 WeakPolarHBondContact CD2-O 3.47Å; L130-W182 HydrophobicContact CB-CE3 3.96Å; L130-W182 HydrophobicContact CB-CZ3 3.67Å; L130-W182 HydrophobicContact CD1-CE3 3.95Å; L130-W182 HydrophobicContact CD1-CZ3 4.29Å; L130-W182 HydrophobicContact CG-CE3 4.39Å; L130-M183 HydrophobicContact CB-CE 3.66Å
131V98.4Very high96.1Very high8 Ų848.1 Ų48.15%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-93.6116.4172.2-176.20000108.9Y98 I100 F115 I129 L164 T165 Q166Y98-V131 CarbonylContact O-C 3.59Å; Y98-V131 WeakPolarHBondContact O-CA 3.23Å; I100-V131 HydrophobicContact CD1-CG1 3.51Å; I100-V131 HydrophobicContact CG1-CG1 4.24Å; F115-V131 HydrophobicContact CE2-CG2 3.85Å; F115-V131 HydrophobicContact CZ-CG2 4.18Å; I129-V131 HydrophobicContact CG2-CG2 4.05Å; V131-L164 PolarHBondContact N-O 3.04Å; V131-T165 HydrophobicContact CB-CG2 4.22Å; V131-T165 HydrophobicContact CG1-CG2 4.15Å; V131-T165 CarbonylContact O-C 3.59Å; V131-T165 VanDerWaalsContact O-CA 3.31Å; V131-T165 WeakPolarHBondContact O-CA 3.45Å; V131-Q166 PolarHBondContact O-N 3.3Å
132L98.5Very high96.1Very high0 Ų047.8 Ų47.80%026%0.257CS..EExtended strand (participates in β ladder)trans-100112.7176.5-63.6-180000109.8F33 I97 Y98 V99 I100 L130 N134 Q166 C168F33-L132 HydrophobicContact CD1-CD1 4.27Å; F33-L132 HydrophobicContact CD2-CD1 3.55Å; F33-L132 HydrophobicContact CE1-CD1 4.04Å; F33-L132 HydrophobicContact CE2-CD1 3.26Å; F33-L132 HydrophobicContact CG-CD1 4.05Å; F33-L132 HydrophobicContact CZ-CD1 3.54Å; I97-L132 HydrophobicContact CG2-CD1 3.48Å; I97-L132 VanDerWaalsContact CG2-CD1 3.48Å; I97-L132 HydrophobicContact CG2-CG 3.9Å; Y98-L132 PolarHBondContact O-N 3.26Å; V99-L132 HydrophobicContact CG2-CD1 4.42Å; I100-L132 PolarHBondContact N-O 3.12Å; L130-L132 HydrophobicContact CD1-CD2 4.14Å; L130-L132 HydrophobicContact CD2-CD2 3.87Å; L130-L132 HydrophobicContact CD2-CG 4.27Å; L130-L132 HydrophobicContact CG-CD2 3.82Å; L130-L132 HydrophobicContact CG-CG 4.12Å; L132-N134 PolarHBondContact O-N 3.37Å; L132-Q166 HydrophobicContact CD2-CB 4.48Å; L132-C168 HydrophobicContact CB-CB 4.29Å; L132-C168 HydrophobicContact CD2-CB 4.09Å
133A98.2Very high96.2Very high0 Ų041.9 Ų41.90%023%0.234CC..EExtended strand (participates in β ladder)trans-77.196.2162.400000107.7S102 Q136 I144 I147 Q166 C168S102-A133 VanDerWaalsContact OG-C 3.27Å; A133-Q136 WeakPolarHBondContact O-CG 3.23Å; A133-I144 HydrophobicContact CB-CD1 3.21Å; A133-I147 HydrophobicContact CB-CD1 3.39Å; A133-Q166 PolarHBondContact N-O 3.09Å; A133-C168 PolarHBondContact O-N 3.24Å
134N98.4Very high96.2Very high5 Ų542 Ų423%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-90.9166.3-173.2-167.933.4000111.8A28 V99 I100 S102 L132 Q136 C168 A170A28-N134 PolarHBondContact O-ND2 2.88Å; V99-N134 HydrophobicContact CG1-CB 3.66Å; I100-N134 WeakPolarHBondContact O-CA 3.45Å; I100-N134 WeakPolarHBondContact O-CB 3.3Å; I100-N134 PolarHBondContact O-N 2.93Å; S102-N134 WeakPolarHBondContact CB-O 3.39Å; S102-N134 PolarHBondContact N-O 2.76Å; S102-N134 PolarHBondContact OG-N 2.95Å; S102-N134 PolarHBondContact OG-O 2.84Å; L132-N134 PolarHBondContact O-N 3.37Å; N134-Q136 VanDerWaalsContact C-N 3.33Å; N134-C168 CarbonylContact C-O 3.55Å; N134-C168 VanDerWaalsContact CA-O 3.28Å; N134-C168 WeakPolarHBondContact CA-O 3.38Å; N134-C168 PolarHBondContact OD1-O 3.28Å; N134-A170 WeakPolarHBondContact OD1-CB 3.47Å; N134-A170 PolarHBondContact OD1-N 3.21Å
135K97.7Very high96.3Very high40 Ų4045.9 Ų45.917%0.17426%0.255CS..  trans66.231.1-177.3-46.4-165.7-166.3173.60113.9N27 D101 T103 D137 V138 C168N27-K135 VanDerWaalsContact O-CE 3.29Å; N27-K135 WeakPolarHBondContact O-CE 3.38Å; N27-K135 PolarHBondContact O-NZ 3.19Å; D101-K135 VanDerWaalsContact OD1-CD 3.29Å; D101-K135 WeakPolarHBondContact OD1-CD 3.23Å; D101-K135 IonicContact OD1-NZ 3.94Å; D101-K135 WeakPolarHBondContact OD2-CE 3.35Å; D101-K135 IonicContact OD2-NZ 2.83Å; D101-K135 PolarHBondContact OD2-NZ 3.19Å; T103-K135 HydrophobicContact CG2-CB 3.92Å; T103-K135 HydrophobicContact CG2-CD 4.49Å; K135-D137 WeakPolarHBondContact CA-OD1 3.44Å; K135-D137 PolarHBondContact O-N 3.07Å; K135-D137 VanDerWaalsContact O-N 3.12Å; K135-V138 HydrophobicContact CB-CG2 4.44Å; K135-V138 PolarHBondContact O-N 3.33Å; K135-V138 VanDerWaalsContact O-N 3.12Å; K135-C168 PolarHBondContact N-O 3.07Å
136Q97.4Very high96.4Very high59 Ų5942.6 Ų42.628%0.27624%0.242SC..THydrogen-bonded Turntrans-71.11.3176.1-66.1-78.5-51.500113.7S102 A133 N134 V138 L142 A167 C168S102-Q136 VanDerWaalsContact CB-NE2 3.25Å; S102-Q136 PolarHBondContact OG-NE2 2.87Å; A133-Q136 WeakPolarHBondContact O-CG 3.23Å; N134-Q136 VanDerWaalsContact C-N 3.33Å; Q136-V138 VanDerWaalsContact C-N 3.33Å; Q136-L142 PolarHBondContact NE2-O 3.11Å; Q136-A167 HydrophobicContact CG-CB 3.93Å; Q136-C168 WeakPolarHBondContact CB-O 3.43Å; Q136-C168 PolarHBondContact N-O 3.14Å
137D96.1Very high96.5Very high72 Ų7241 Ų4139%0.38523%0.225SC..THydrogen-bonded Turntrans-80.8-10.5168.150.6-70.6000113.5K135 S169 T172K135-D137 WeakPolarHBondContact CA-OD1 3.44Å; K135-D137 PolarHBondContact O-N 3.07Å; K135-D137 VanDerWaalsContact O-N 3.12Å; D137-S169 WeakPolarHBondContact OD1-CB 3.1Å; D137-S169 PolarHBondContact OD1-OG 3.41Å; D137-T172 HydrophobicContact CB-CG2 4.34Å
138V96Very high96.3Very high55 Ų5546.1 Ų46.133%0.33325%0.247SC..SBendtrans-93.1131178.6-178.90000110.2T103 K135 Q136 T140 C141T103-V138 HydrophobicContact CG2-CB 3.62Å; T103-V138 HydrophobicContact CG2-CG1 3.76Å; T103-V138 HydrophobicContact CG2-CG2 3.9Å; K135-V138 HydrophobicContact CB-CG2 4.44Å; K135-V138 PolarHBondContact O-N 3.33Å; K135-V138 VanDerWaalsContact O-N 3.12Å; Q136-V138 VanDerWaalsContact C-N 3.33Å; V138-T140 VanDerWaalsContact C-N 3.31Å; V138-T140 PolarHBondContact O-N 2.73Å; V138-C141 WeakPolarHBondContact O-CB 3.5Å; V138-C141 PolarHBondContact O-N 2.81Å; V138-C141 PolarHBondContact O-SG 3.39Å
139E91.5Very high96.2Very high199 Ų19950.8 Ų50.893%0.9328%0.276SS*.THydrogen-bonded Turntrans-61.8-34.6-174.8-67.1-176.1171.200113.9C141E139-C141 VanDerWaalsContact C-N 3.26Å; E139-C141 PolarHBondContact O-N 3.46Å
140T92.4Very high96Very high122 Ų12252.2 Ų52.275%0.74829%0.288SS*.THydrogen-bonded Turntrans-88.316-178.5610000113.3V138V138-T140 VanDerWaalsContact C-N 3.31Å; V138-T140 PolarHBondContact O-N 2.73Å
141C95.8Very high95.8Very high30 Ų3053 Ų5320%0.20329%0.292CS..PPolyproline II helixtrans-76.1149.5-179.872.80000112.4S102 T103 V138 E139S102-C141 CarbonylContact O-C 3.45Å; S102-C141 WeakPolarHBondContact O-CA 2.95Å; T103-C141 HydrophobicContact CG2-CB 3.9Å; V138-C141 WeakPolarHBondContact O-CB 3.5Å; V138-C141 PolarHBondContact O-N 2.81Å; V138-C141 PolarHBondContact O-SG 3.39Å; E139-C141 VanDerWaalsContact C-N 3.26Å; E139-C141 PolarHBondContact O-N 3.46Å
142L96.3Very high95.5Very high25 Ų2555 Ų5513%0.13131%0.306CS..PPolyproline II helixtrans-63140.4171.9-65.8171.6000110.8S102 E105 L108 Q136 D146 I147S102-L142 WeakPolarHBondContact O-CB 3.27Å; S102-L142 WeakPolarHBondContact O-CG 3.35Å; S102-L142 PolarHBondContact O-N 3Å; E105-L142 HydrophobicContact CB-CD1 4.48Å; L108-L142 HydrophobicContact CD1-CD1 4.25Å; L108-L142 HydrophobicContact CD2-CD1 3.73Å; Q136-L142 PolarHBondContact NE2-O 3.11Å; L142-D146 HydrophobicContact CB-CB 4.43Å; L142-D146 HydrophobicContact CD2-CB 4.31Å; L142-I147 HydrophobicContact CB-CD1 4.29Å; L142-I147 HydrophobicContact CB-CG1 4.01Å; L142-I147 HydrophobicContact CD1-CG1 4.45Å
143S95.8Very high95Very high44 Ų4459.3 Ų59.331%0.30833%0.329SS..PPolyproline II helixtrans-76.8162.2175.178.50000111.3P145 D146 I147S143-P145 WeakPolarHBondContact OG-CD 3.23Å; S143-D146 WeakPolarHBondContact CB-OD2 3.18Å; S143-D146 PolarHBondContact N-OD2 3.24Å; S143-D146 VanDerWaalsContact N-OD2 3.15Å; S143-D146 PolarHBondContact O-N 3.03Å; S143-D146 VanDerWaalsContact O-N 3.12Å; S143-D146 PolarHBondContact OG-N 2.84Å; S143-D146 PolarHBondContact OG-OD2 3.05Å; S143-I147 PolarHBondContact O-N 3.37Å; S143-I147 VanDerWaalsContact O-N 3.09Å
144I95.4Very high94.7Very high34 Ų3459.3 Ų59.317%0.17433%0.329CS..Hα-helixtrans-56.9-44.1174.2-56.9-62.9000112.4A133 D146 I147 K148 T165 A167A133-I144 HydrophobicContact CB-CD1 3.21Å; I144-D146 VanDerWaalsContact C-N 3.31Å; I144-D146 PolarHBondContact O-N 3.09Å; I144-I147 PolarHBondContact O-N 3.2Å; I144-K148 HydrophobicContact CG2-CD 4.15Å; I144-K148 HydrophobicContact CG2-CG 4.34Å; I144-K148 WeakPolarHBondContact O-CB 3.32Å; I144-K148 WeakPolarHBondContact O-CG 3.43Å; I144-K148 PolarHBondContact O-N 3.13Å; I144-T165 HydrophobicContact CG2-CG2 4.06Å; I144-A167 HydrophobicContact CD1-CB 3.94Å; I144-A167 HydrophobicContact CG1-CB 4.14Å
145P96.1Very high94Very high82 Ų8263.8 Ų63.853%0.53235%0.352SS..Hα-helixtrans-54.1-41.9171.7-29.135.1000114.5S143 K148 T149S143-P145 WeakPolarHBondContact OG-CD 3.23Å; P145-K148 PolarHBondContact O-N 2.81Å; P145-T149 WeakPolarHBondContact O-CB 3.43Å; P145-T149 PolarHBondContact O-N 2.98Å; P145-T149 PolarHBondContact O-OG1 2.9Å
146D95.3Very high93.4Very high80 Ų8068.8 Ų68.843%0.42838%0.381SS..Hα-helixtrans-67.5-45.1-178.4-56-39.5000110.9L142 S143 I144 K148 T149 A150L142-D146 HydrophobicContact CB-CB 4.43Å; L142-D146 HydrophobicContact CD2-CB 4.31Å; S143-D146 WeakPolarHBondContact CB-OD2 3.18Å; S143-D146 PolarHBondContact N-OD2 3.24Å; S143-D146 VanDerWaalsContact N-OD2 3.15Å; S143-D146 PolarHBondContact O-N 3.03Å; S143-D146 VanDerWaalsContact O-N 3.12Å; S143-D146 PolarHBondContact OG-N 2.84Å; S143-D146 PolarHBondContact OG-OD2 3.05Å; I144-D146 VanDerWaalsContact C-N 3.31Å; I144-D146 PolarHBondContact O-N 3.09Å; D146-K148 VanDerWaalsContact C-N 3.35Å; D146-K148 PolarHBondContact O-N 3.48Å; D146-T149 WeakPolarHBondContact O-CB 3.47Å; D146-T149 PolarHBondContact O-N 3.18Å; D146-T149 VanDerWaalsContact O-N 3.15Å; D146-A150 PolarHBondContact O-N 2.97Å
147I95.3Very high93.1Very high3 Ų369.3 Ų69.32%0.01538%0.382CS..Hα-helixtrans-61.3-44.2175.2-67169.3000110.6I100 A133 L142 S143 I144 T149 A150 F151I100-I147 HydrophobicContact CD1-CG2 3.66Å; I100-I147 HydrophobicContact CG2-CD1 4.37Å; A133-I147 HydrophobicContact CB-CD1 3.39Å; L142-I147 HydrophobicContact CB-CD1 4.29Å; L142-I147 HydrophobicContact CB-CG1 4.01Å; L142-I147 HydrophobicContact CD1-CG1 4.45Å; S143-I147 PolarHBondContact O-N 3.37Å; S143-I147 VanDerWaalsContact O-N 3.09Å; I144-I147 PolarHBondContact O-N 3.2Å; I147-T149 VanDerWaalsContact C-N 3.27Å; I147-T149 PolarHBondContact O-N 3.04Å; I147-A150 PolarHBondContact O-N 2.84Å; I147-F151 HydrophobicContact CG2-CD2 4.15Å; I147-F151 HydrophobicContact CG2-CE2 4.32Å; I147-F151 WeakPolarHBondContact O-CD2 3.47Å; I147-F151 PolarHBondContact O-N 2.87Å
148K94.2Very high92.7Very high108 Ų10867.1 Ų67.147%0.4737%0.37SS..Hα-helixtrans-61.2-37.9176-77-178.2176.5-175.70112.2I144 P145 D146 F151 S152 T165I144-K148 HydrophobicContact CG2-CD 4.15Å; I144-K148 HydrophobicContact CG2-CG 4.34Å; I144-K148 WeakPolarHBondContact O-CB 3.32Å; I144-K148 WeakPolarHBondContact O-CG 3.43Å; I144-K148 PolarHBondContact O-N 3.13Å; P145-K148 PolarHBondContact O-N 2.81Å; D146-K148 VanDerWaalsContact C-N 3.35Å; D146-K148 PolarHBondContact O-N 3.48Å; K148-F151 CarbonylContact O-C 3.57Å; K148-F151 PolarHBondContact O-N 3.04Å; K148-S152 PolarHBondContact O-N 3.42Å; K148-S152 VanDerWaalsContact O-N 3.13Å; K148-T165 HydrophobicContact CG-CG2 4.44Å
149T94.7Very high92.2Very high99 Ų9967.2 Ų67.261%0.60738%0.383SS*.Hα-helixtrans-66.8-45.8177.2-57.80000110.7P145 D146 I147 F151 S152P145-T149 WeakPolarHBondContact O-CB 3.43Å; P145-T149 PolarHBondContact O-N 2.98Å; P145-T149 PolarHBondContact O-OG1 2.9Å; D146-T149 WeakPolarHBondContact O-CB 3.47Å; D146-T149 PolarHBondContact O-N 3.18Å; D146-T149 VanDerWaalsContact O-N 3.15Å; I147-T149 VanDerWaalsContact C-N 3.27Å; I147-T149 PolarHBondContact O-N 3.04Å; T149-F151 VanDerWaalsContact C-N 3.25Å; T149-F151 PolarHBondContact O-N 3.32Å; T149-S152 WeakPolarHBondContact O-CB 3.46Å; T149-S152 PolarHBondContact O-N 3.37Å; T149-S152 PolarHBondContact O-OG 2.82Å; T149-S152 VanDerWaalsContact O-OG 3.13Å
150A94Very high91.9Very high32 Ų3268.4 Ų68.426%0.26439%0.385SS..Hα-helixtrans-60.8-34.9177.400000112.8L108 K112 D146 I147L108-A150 HydrophobicContact CD2-CB 3.54Å; L108-A150 HydrophobicContact CG-CB 4.28Å; K112-A150 WeakPolarHBondContact CD-O 3.46Å; K112-A150 WeakPolarHBondContact CE-O 3.39Å; K112-A150 PolarHBondContact NZ-O 3.03Å; D146-A150 PolarHBondContact O-N 2.97Å; I147-A150 PolarHBondContact O-N 2.84Å
151F94.6Very high91.9Very high16 Ų1664.4 Ų64.47%0.0736%0.356CS..THydrogen-bonded Turntrans-95.412.1-178.5-73.7-113000113.7I100 L108 K112 F115 I147 K148 T149 D153 C154I100-F151 HydrophobicContact CD1-CD2 4.45Å; I100-F151 HydrophobicContact CD1-CE1 3.92Å; I100-F151 HydrophobicContact CD1-CE2 3.85Å; I100-F151 HydrophobicContact CD1-CZ 3.55Å; I100-F151 HydrophobicContact CG1-CZ 4.19Å; L108-F151 HydrophobicContact CD1-CE2 3.74Å; L108-F151 HydrophobicContact CD1-CZ 4.43Å; L108-F151 HydrophobicContact CG-CE2 4.06Å; K112-F151 HydrophobicContact CB-CD1 4.38Å; K112-F151 HydrophobicContact CB-CE1 4.05Å; K112-F151 HydrophobicContact CB-CE2 4.38Å; K112-F151 HydrophobicContact CB-CZ 4.04Å; K112-F151 HydrophobicContact CG-CD1 4.38Å; F115-F151 HydrophobicContact CB-CD1 4.3Å; F115-F151 HydrophobicContact CB-CE1 3.79Å; F115-F151 AromaticContact CD1-CD1 3.94Å; F115-F151 HydrophobicContact CD1-CD1 3.94Å; F115-F151 HydrophobicContact CD1-CE1 4.29Å; F115-F151 HydrophobicContact CG-CD1 4.15Å; F115-F151 HydrophobicContact CG-CE1 4.03Å; I147-F151 HydrophobicContact CG2-CD2 4.15Å; I147-F151 HydrophobicContact CG2-CE2 4.32Å; I147-F151 WeakPolarHBondContact O-CD2 3.47Å; I147-F151 PolarHBondContact O-N 2.87Å; K148-F151 CarbonylContact O-C 3.57Å; K148-F151 PolarHBondContact O-N 3.04Å; T149-F151 VanDerWaalsContact C-N 3.25Å; T149-F151 PolarHBondContact O-N 3.32Å; F151-D153 PolarHBondContact O-N 2.91Å; F151-D153 VanDerWaalsContact O-N 3.14Å; F151-C154 WeakPolarHBondContact O-CB 3.44Å; F151-C154 PolarHBondContact O-N 2.98Å
152S90.9Very high91.9Very high51 Ų5165.9 Ų65.936%0.35736%0.362SS..Hα-helixtrans-53.2-39.6-174.958.70000113.6K148 T149 C154 I155K148-S152 PolarHBondContact O-N 3.42Å; K148-S152 VanDerWaalsContact O-N 3.13Å; T149-S152 WeakPolarHBondContact O-CB 3.46Å; T149-S152 PolarHBondContact O-N 3.37Å; T149-S152 PolarHBondContact O-OG 2.82Å; T149-S152 VanDerWaalsContact O-OG 3.13Å; S152-C154 PolarHBondContact O-N 3.13Å; S152-I155 VanDerWaalsContact O-CB 3.26Å; S152-I155 WeakPolarHBondContact O-CB 3.49Å; S152-I155 VanDerWaalsContact O-CG1 3.29Å; S152-I155 WeakPolarHBondContact O-CG1 3.43Å; S152-I155 PolarHBondContact O-N 2.88Å; S152-I155 VanDerWaalsContact O-N 3.08Å
153D89.7Confident91.9Very high89 Ų8966.9 Ų66.948%0.47637%0.37SS..Hα-helixtrans-71.2-17.7-176.6-48.9-33.7000112.7K112 F151K112-D153 IonicContact NZ-OD2 3.51Å; K112-D153 PolarHBondContact NZ-OD2 3.4Å; F151-D153 PolarHBondContact O-N 2.91Å; F151-D153 VanDerWaalsContact O-N 3.14Å
154C90.5Very high92Very high1 Ų167.3 Ų67.31%0.00737%0.369CS..Hα-helixtrans-83.7-15.5175.4-540000112F115 F151 S152 N156 K157 I158F115-C154 HydrophobicContact CD1-CB 3.83Å; F115-C154 HydrophobicContact CE1-CB 3.75Å; F151-C154 WeakPolarHBondContact O-CB 3.44Å; F151-C154 PolarHBondContact O-N 2.98Å; S152-C154 PolarHBondContact O-N 3.13Å; C154-N156 VanDerWaalsContact C-N 3.33Å; C154-N156 PolarHBondContact O-N 2.76Å; C154-K157 WeakPolarHBondContact O-CA 3.41Å; C154-K157 WeakPolarHBondContact O-CB 3.35Å; C154-K157 PolarHBondContact O-N 2.92Å; C154-I158 PolarHBondContact O-N 2.99Å; C154-I158 VanDerWaalsContact O-N 3.15Å
155I85.1Confident92Very high99 Ų9967.3 Ų67.351%0.50837%0.37SS..Hα-helixtrans-58.4-45-176.8-65.1173000111.1S152 K157 I158S152-I155 VanDerWaalsContact O-CB 3.26Å; S152-I155 WeakPolarHBondContact O-CB 3.49Å; S152-I155 VanDerWaalsContact O-CG1 3.29Å; S152-I155 WeakPolarHBondContact O-CG1 3.43Å; S152-I155 PolarHBondContact O-N 2.88Å; S152-I155 VanDerWaalsContact O-N 3.08Å; I155-K157 PolarHBondContact O-N 3.08Å; I155-I158 WeakPolarHBondContact O-CB 3.48Å; I155-I158 PolarHBondContact O-N 3.24Å
156N85.4Confident92.1Very high145 Ų14565.1 Ų65.178%0.77535%0.353SS*.Hα-helixtrans-64.6-26.8178.4-65.7-32000112.3C154 G159C154-N156 VanDerWaalsContact C-N 3.33Å; C154-N156 PolarHBondContact O-N 2.76Å; N156-G159 PolarHBondContact O-N 2.77Å
157K89.9Confident92.2Very high69 Ų6963.2 Ų63.230%0.335%0.349SS..Hα-helixtrans-80.4-23.4-179.3-56.8172.9-172.5165.20111.9E116 V119 T120 C154 I155 G159 R161E116-K157 HydrophobicContact CG-CD 3.95Å; E116-K157 IonicContact OE1-NZ 2.74Å; E116-K157 PolarHBondContact OE1-NZ 3.23Å; E116-K157 IonicContact OE2-NZ 2.72Å; E116-K157 PolarHBondContact OE2-NZ 3.32Å; V119-K157 HydrophobicContact CG1-CB 3.74Å; T120-K157 HydrophobicContact CG2-CB 4.25Å; T120-K157 HydrophobicContact CG2-CD 3.83Å; T120-K157 HydrophobicContact CG2-CG 4.26Å; C154-K157 WeakPolarHBondContact O-CA 3.41Å; C154-K157 WeakPolarHBondContact O-CB 3.35Å; C154-K157 PolarHBondContact O-N 2.92Å; I155-K157 PolarHBondContact O-N 3.08Å; K157-G159 PolarHBondContact O-N 2.91Å; K157-R161 PolarHBondContact O-NH2 3.27Å
158I88.1Confident92.3Very high26 Ų2663.2 Ų63.213%0.13335%0.349CS..Hα-helixtrans-63.6-32.7171.9-63.3168.7000110.2F115 V119 C154 I155 K160 R161 C163F115-I158 HydrophobicContact CZ-CD1 4.44Å; F115-I158 HydrophobicContact CZ-CG1 4.47Å; V119-I158 HydrophobicContact CG2-CB 4.48Å; V119-I158 HydrophobicContact CG2-CG1 3.85Å; C154-I158 PolarHBondContact O-N 2.99Å; C154-I158 VanDerWaalsContact O-N 3.15Å; I155-I158 WeakPolarHBondContact O-CB 3.48Å; I155-I158 PolarHBondContact O-N 3.24Å; I158-K160 PolarHBondContact O-N 2.86Å; I158-R161 HydrophobicContact CG2-CG 3.57Å; I158-R161 WeakPolarHBondContact O-CD 3.23Å; I158-R161 VanDerWaalsContact O-CG 3.28Å; I158-R161 WeakPolarHBondContact O-CG 3.49Å; I158-R161 PolarHBondContact O-NE 3.18Å; I158-R161 PolarHBondContact O-NH2 2.8Å; I158-C163 HydrophobicContact CD1-CB 4.47Å; I158-C163 HydrophobicContact CG2-CB 3.65Å
159G85.6Confident92.4Very high58 Ų5858.2 Ų58.260%0.59833%0.327SS*.THydrogen-bonded Turntrans61.4-135.4177.300000112.2N156 K157N156-G159 PolarHBondContact O-N 2.77Å; K157-G159 PolarHBondContact O-N 2.91Å
160K85.8Confident92.5Very high223 Ų22353.6 Ų53.697%0.9730%0.299SS*.THydrogen-bonded Turntrans-92.63.4-173.5-61.2-176-178.1175.80115I158I158-K160 PolarHBondContact O-N 2.86Å
161R92.4Very high92.5Very high38 Ų3857 Ų5714%0.14331%0.313CS..SBendtrans-71.8151.1-177.875.7-164.879.1167.19.5110.6V119 V127 K157 I158 C163V119-R161 PolarHBondContact O-NH1 2.62Å; V119-R161 PolarHBondContact O-NH2 2.91Å; V127-R161 WeakPolarHBondContact O-CD 3.3Å; K157-R161 PolarHBondContact O-NH2 3.27Å; I158-R161 HydrophobicContact CG2-CG 3.57Å; I158-R161 WeakPolarHBondContact O-CD 3.23Å; I158-R161 VanDerWaalsContact O-CG 3.28Å; I158-R161 WeakPolarHBondContact O-CG 3.49Å; I158-R161 PolarHBondContact O-NE 3.18Å; I158-R161 PolarHBondContact O-NH2 2.8Å; R161-C163 PolarHBondContact O-N 3.08Å
162D95.1Very high92.5Very high61 Ų6159.7 Ų59.733%0.32633%0.331SS..  trans-61.7126.7169.8-73-56.7000109.6P128 I129 W182 R189P128-D162 WeakPolarHBondContact CA-O 3.32Å; P128-D162 HydrophobicContact CB-CB 4.06Å; I129-D162 PolarHBondContact N-O 3.29Å; D162-W182 HydrophobicContact CB-CH2 4.27Å; D162-W182 HydrophobicContact CB-CZ2 4.02Å; D162-R189 IonicContact OD1-NH2 3.87Å; D162-R189 PolarHBondContact OD1-NH2 2.75Å; D162-R189 IonicContact OD2-CZ 2.61Å; D162-R189 IonicContact OD2-NH2 3.7Å; D162-R189 PolarHBondContact OD2-NH2 2.85Å
163C96.4Very high92.6Very high47 Ų4757.3 Ų57.332%0.31831%0.314SS..EExtended strand (participates in β ladder)trans-138.7129.5177.1-175.30000111I129 I158 R161I129-C163 VanDerWaalsContact O-CA 3.25Å; I129-C163 WeakPolarHBondContact O-CA 3.14Å; I158-C163 HydrophobicContact CD1-CB 4.47Å; I158-C163 HydrophobicContact CG2-CB 3.65Å; R161-C163 PolarHBondContact O-N 3.08Å
164L96.8Very high93Very high52 Ų5260.7 Ų60.727%0.27232%0.324SS..EExtended strand (participates in β ladder)trans-125.9132.3175175.864.5000109.8I129 L130 V131 Q166 W182I129-L164 PolarHBondContact O-N 3.37Å; I129-L164 VanDerWaalsContact O-N 3.09Å; L130-L164 HydrophobicContact CD1-CB 4.03Å; L130-L164 HydrophobicContact CD1-CD2 3.94Å; L130-L164 HydrophobicContact CD1-CG 4.04Å; V131-L164 PolarHBondContact N-O 3.04Å; L164-Q166 HydrophobicContact CG-CB 4.47Å; L164-W182 HydrophobicContact CB-CD2 3.82Å; L164-W182 VanDerWaalsContact CB-CE2 3.42Å; L164-W182 HydrophobicContact CB-CE3 4.2Å; L164-W182 HydrophobicContact CB-CG 4.43Å; L164-W182 HydrophobicContact CB-CH2 3.92Å; L164-W182 HydrophobicContact CB-CZ2 3.48Å; L164-W182 VanDerWaalsContact CB-CZ2 3.48Å; L164-W182 HydrophobicContact CB-CZ3 4.27Å; L164-W182 HydrophobicContact CD2-CB 4.01Å; L164-W182 HydrophobicContact CD2-CD2 3.75Å; L164-W182 HydrophobicContact CD2-CE3 4.44Å; L164-W182 HydrophobicContact CD2-CG 3.51Å; L164-W182 HydrophobicContact CG-CD2 4.43Å
165T97.1Very high93.2Very high34 Ų3460.9 Ų60.921%0.20933%0.326CS..EExtended strand (participates in β ladder)trans-105.1125167.1-46.50000109V131 I144 K148V131-T165 HydrophobicContact CB-CG2 4.22Å; V131-T165 HydrophobicContact CG1-CG2 4.15Å; V131-T165 CarbonylContact O-C 3.59Å; V131-T165 VanDerWaalsContact O-CA 3.31Å; V131-T165 WeakPolarHBondContact O-CA 3.45Å; I144-T165 HydrophobicContact CG2-CG2 4.06Å; K148-T165 HydrophobicContact CG-CG2 4.44Å
166Q96.4Very high93.8Very high36 Ų3656.2 Ų56.217%0.16830%0.302CS..EExtended strand (participates in β ladder)trans-136.5144.1-176.1-160.7-166.9-70.600112V131 L132 A133 L164 G175V131-Q166 PolarHBondContact O-N 3.3Å; L132-Q166 HydrophobicContact CD2-CB 4.48Å; A133-Q166 PolarHBondContact N-O 3.09Å; L164-Q166 HydrophobicContact CG-CB 4.47Å; Q166-G175 VanDerWaalsContact NE2-CA 3.25Å; Q166-G175 PolarHBondContact NE2-O 3.48Å
167A97.5Very high94.3Very high41 Ų4151.5 Ų51.534%0.33928%0.277SS..EExtended strand (participates in β ladder)trans-67.6137.4167.200000110.8Q136 I144Q136-A167 HydrophobicContact CG-CB 3.93Å; I144-A167 HydrophobicContact CD1-CB 3.94Å; I144-A167 HydrophobicContact CG1-CB 4.14Å
168C97.8Very high94.7Very high2 Ų253.2 Ų53.21%0.01429%0.286CS..  trans-144.5148.1178.8-178.70000110.8L132 A133 N134 K135 Q136 K174L132-C168 HydrophobicContact CB-CB 4.29Å; L132-C168 HydrophobicContact CD2-CB 4.09Å; A133-C168 PolarHBondContact O-N 3.24Å; N134-C168 CarbonylContact C-O 3.55Å; N134-C168 VanDerWaalsContact CA-O 3.28Å; N134-C168 WeakPolarHBondContact CA-O 3.38Å; N134-C168 PolarHBondContact OD1-O 3.28Å; K135-C168 PolarHBondContact N-O 3.07Å; Q136-C168 WeakPolarHBondContact CB-O 3.43Å; Q136-C168 PolarHBondContact N-O 3.14Å; C168-K174 WeakPolarHBondContact CA-O 3.37Å
169S97.6Very high95.1Very high3 Ų352 Ų522%0.02128%0.28CS..BIsolated β-bridgetrans-126102.4161.7168.70000107.3D137 L171 T172 G173 K174D137-S169 WeakPolarHBondContact OD1-CB 3.1Å; D137-S169 PolarHBondContact OD1-OG 3.41Å; S169-L171 PolarHBondContact O-N 3.38Å; S169-T172 WeakPolarHBondContact CB-OG1 3.34Å; S169-T172 PolarHBondContact O-N 3.34Å; S169-T172 WeakPolarHBondContact OG-CG2 3.36Å; S169-T172 PolarHBondContact OG-N 3.25Å; S169-T172 PolarHBondContact OG-OG1 3.14Å; S169-G173 VanDerWaalsContact O-CA 3.28Å; S169-G173 WeakPolarHBondContact O-CA 3.39Å; S169-G173 PolarHBondContact O-N 3.18Å; S169-K174 PolarHBondContact N-O 3.31Å; S169-K174 PolarHBondContact O-N 2.91Å
170A95.7Very high95.7Very high2 Ų249.2 Ų49.22%0.01725%0.251CS..THydrogen-bonded Turntrans-61.6-26.1176.500000112.2T32 F33 Q36 N134T32-A170 HydrophobicContact CG2-CB 3.86Å; F33-A170 HydrophobicContact CB-CB 4Å; Q36-A170 WeakPolarHBondContact CB-O 3.2Å; Q36-A170 WeakPolarHBondContact CG-O 3.46Å; N134-A170 WeakPolarHBondContact OD1-CB 3.47Å; N134-A170 PolarHBondContact OD1-N 3.21Å
171L93.9Very high96.3Very high105 Ų10542.9 Ų42.955%0.5523%0.225SC..THydrogen-bonded Turntrans-72.7-44.2178.5-176.664.4000112.4L50 S169L50-L171 HydrophobicContact CD1-CD1 3.91Å; S169-L171 PolarHBondContact O-N 3.38Å
172T94Very high96.6Very high72 Ų7243.5 Ų43.544%0.44223%0.228SC..THydrogen-bonded Turntrans-91.5-18.8-178.765.30000112.7R40 D137 S169 K174R40-T172 PolarHBondContact NH2-O 3.44Å; D137-T172 HydrophobicContact CB-CG2 4.34Å; S169-T172 WeakPolarHBondContact CB-OG1 3.34Å; S169-T172 PolarHBondContact O-N 3.34Å; S169-T172 WeakPolarHBondContact OG-CG2 3.36Å; S169-T172 PolarHBondContact OG-N 3.25Å; S169-T172 PolarHBondContact OG-OG1 3.14Å; T172-K174 VanDerWaalsContact C-N 3.32Å; T172-K174 PolarHBondContact OG1-N 2.97Å
173G94.4Very high96.7Very high0 Ų040.6 Ų40.60%021%0.212CC..THydrogen-bonded Turntrans78.18.8-172.400000114.8R40 S169 G175 V176R40-G173 PolarHBondContact NH2-O 2.87Å; S169-G173 VanDerWaalsContact O-CA 3.28Å; S169-G173 WeakPolarHBondContact O-CA 3.39Å; S169-G173 PolarHBondContact O-N 3.18Å; G173-G175 PolarHBondContact O-N 3.01Å; G173-V176 PolarHBondContact O-N 2.69Å
174K96.8Very high96.8Very high161 Ų16139.2 Ų39.270%0.720%0.202SC*.BIsolated β-bridgetrans-65.4129.5173-173.1-178178.9-175.40109.8C168 S169 T172 V176C168-K174 WeakPolarHBondContact CA-O 3.37Å; S169-K174 PolarHBondContact N-O 3.31Å; S169-K174 PolarHBondContact O-N 2.91Å; T172-K174 VanDerWaalsContact C-N 3.32Å; T172-K174 PolarHBondContact OG1-N 2.97Å; K174-V176 VanDerWaalsContact C-N 3.26Å; K174-V176 PolarHBondContact O-N 3.07Å
175G96.3Very high96.8Very high5 Ų543.6 Ų43.65%0.05222%0.219CC..THydrogen-bonded Turntrans83.5-9.9-179.500000115Q166 G173 E178 G179Q166-G175 VanDerWaalsContact NE2-CA 3.25Å; Q166-G175 PolarHBondContact NE2-O 3.48Å; G173-G175 PolarHBondContact O-N 3.01Å; G175-E178 WeakPolarHBondContact CA-OE2 3.46Å; G175-E178 PolarHBondContact N-OE2 2.8Å; G175-G179 PolarHBondContact O-N 3.12Å; G175-G179 VanDerWaalsContact O-N 3.13Å
176V96.7Very high96.9Very high0 Ų042.1 Ų42.10%021%0.21CC..Hα-helixtrans-67-46.8-178174.10000111.1F33 Q36 T37 G173 K174 G179 I180F33-V176 HydrophobicContact CD2-CG2 3.93Å; F33-V176 HydrophobicContact CE2-CB 4.15Å; F33-V176 HydrophobicContact CE2-CG1 4.01Å; F33-V176 HydrophobicContact CE2-CG2 3.76Å; F33-V176 HydrophobicContact CZ-CG1 4.28Å; Q36-V176 HydrophobicContact CG-CG2 3.99Å; T37-V176 VanDerWaalsContact OG1-CG1 3.28Å; T37-V176 WeakPolarHBondContact OG1-CG1 3.36Å; G173-V176 PolarHBondContact O-N 2.69Å; K174-V176 VanDerWaalsContact C-N 3.26Å; K174-V176 PolarHBondContact O-N 3.07Å; V176-G179 PolarHBondContact O-N 3.38Å; V176-I180 HydrophobicContact CG1-CG1 4.48Å; V176-I180 VanDerWaalsContact O-CG1 3.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.45Å; V176-I180 PolarHBondContact O-N 2.97Å
177N96.5Very high96.9Very high46 Ų4640.5 Ų40.525%0.24620%0.202CC..Hα-helixtrans-65.1-47.4-176.5-71.93.1000111.1R40 F41 G179 I180 E181R40-N177 VanDerWaalsContact CD-OD1 3.22Å; R40-N177 WeakPolarHBondContact CD-OD1 3.24Å; F41-N177 WeakPolarHBondContact CE2-OD1 3.47Å; F41-N177 HydrophobicContact CZ-CB 4.24Å; N177-G179 VanDerWaalsContact C-N 3.32Å; N177-G179 PolarHBondContact O-N 2.79Å; N177-I180 PolarHBondContact O-N 3.03Å; N177-E181 WeakPolarHBondContact O-CB 3.42Å; N177-E181 VanDerWaalsContact O-CG 3.3Å; N177-E181 WeakPolarHBondContact O-CG 3.36Å; N177-E181 PolarHBondContact O-N 2.86Å
178E97.5Very high96.8Very high105 Ų10542 Ų4249%0.49121%0.207SC..Hα-helixtrans-60.8-42.3-179-60.184171.500111.3G175 W182G175-E178 WeakPolarHBondContact CA-OE2 3.46Å; G175-E178 PolarHBondContact N-OE2 2.8Å; E178-W182 WeakPolarHBondContact O-CB 3.32Å; E178-W182 PolarHBondContact O-N 2.73Å
179G97.9Very high96.7Very high0 Ų049.5 Ų49.50%024%0.235CC..Hα-helixtrans-65.1-44.6176.900000112.6L130 G175 V176 N177 W182 M183L130-G179 WeakPolarHBondContact CD2-O 3.47Å; G175-G179 PolarHBondContact O-N 3.12Å; G175-G179 VanDerWaalsContact O-N 3.13Å; V176-G179 PolarHBondContact O-N 3.38Å; N177-G179 VanDerWaalsContact C-N 3.32Å; N177-G179 PolarHBondContact O-N 2.79Å; G179-W182 PolarHBondContact O-N 3.07Å; G179-M183 PolarHBondContact O-N 3.06Å
180I98.1Very high96.5Very high0 Ų050.4 Ų50.40%024%0.24CC..Hα-helixtrans-65.8-42.9177.2-68.4-52.4000111.6F33 T37 F41 I64 V66 L71 F73 I97 V176 N177 W182 M183 V184F33-I180 HydrophobicContact CE1-CD1 4.02Å; F33-I180 HydrophobicContact CZ-CD1 3.94Å; F33-I180 HydrophobicContact CZ-CG1 4.26Å; T37-I180 HydrophobicContact CG2-CD1 4.02Å; T37-I180 HydrophobicContact CG2-CG1 3.86Å; F41-I180 HydrophobicContact CE1-CG2 4.28Å; F41-I180 HydrophobicContact CE2-CB 3.94Å; F41-I180 HydrophobicContact CE2-CG1 4.11Å; F41-I180 HydrophobicContact CE2-CG2 3.88Å; F41-I180 HydrophobicContact CZ-CB 3.95Å; F41-I180 HydrophobicContact CZ-CG2 3.74Å; I64-I180 HydrophobicContact CD1-CG2 3.66Å; V66-I180 HydrophobicContact CG2-CG2 4.01Å; L71-I180 HydrophobicContact CD1-CG2 4.2Å; F73-I180 HydrophobicContact CE1-CD1 3.94Å; F73-I180 HydrophobicContact CZ-CD1 3.66Å; I97-I180 HydrophobicContact CD1-CD1 4.04Å; V176-I180 HydrophobicContact CG1-CG1 4.48Å; V176-I180 VanDerWaalsContact O-CG1 3.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.45Å; V176-I180 PolarHBondContact O-N 2.97Å; N177-I180 PolarHBondContact O-N 3.03Å; I180-W182 VanDerWaalsContact C-N 3.33Å; I180-W182 PolarHBondContact O-N 2.76Å; I180-M183 WeakPolarHBondContact O-CB 3.24Å; I180-M183 PolarHBondContact O-N 2.95Å; I180-V184 WeakPolarHBondContact O-CG2 3.49Å; I180-V184 PolarHBondContact O-N 3.32Å
181E97.4Very high96.2Very high91 Ų9157 Ų5743%0.42527%0.273SS..Hα-helixtrans-62.4-39.7176.5-74.7175.6-166.900112.2N177 K185N177-E181 WeakPolarHBondContact O-CB 3.42Å; N177-E181 VanDerWaalsContact O-CG 3.3Å; N177-E181 WeakPolarHBondContact O-CG 3.36Å; N177-E181 PolarHBondContact O-N 2.86Å; E181-K185 WeakPolarHBondContact O-CG 3.49Å; E181-K185 PolarHBondContact O-N 2.89Å; E181-K185 VanDerWaalsContact O-N 3.13Å
182W98.3Very high96Very high51 Ų5159.2 Ų59.219%0.19328%0.281CS..Hα-helixtrans-61.7-46.4172.5179.787.3000111.3P128 I129 L130 D162 L164 E178 G179 I180 V184 K185 C186P128-W182 HydrophobicContact CB-CH2 4.32Å; I129-W182 VanDerWaalsContact O-CH2 3.28Å; I129-W182 WeakPolarHBondContact O-CH2 3.18Å; L130-W182 HydrophobicContact CB-CE3 3.96Å; L130-W182 HydrophobicContact CB-CZ3 3.67Å; L130-W182 HydrophobicContact CD1-CE3 3.95Å; L130-W182 HydrophobicContact CD1-CZ3 4.29Å; L130-W182 HydrophobicContact CG-CE3 4.39Å; D162-W182 HydrophobicContact CB-CH2 4.27Å; D162-W182 HydrophobicContact CB-CZ2 4.02Å; L164-W182 HydrophobicContact CB-CD2 3.82Å; L164-W182 VanDerWaalsContact CB-CE2 3.42Å; L164-W182 HydrophobicContact CB-CE3 4.2Å; L164-W182 HydrophobicContact CB-CG 4.43Å; L164-W182 HydrophobicContact CB-CH2 3.92Å; L164-W182 HydrophobicContact CB-CZ2 3.48Å; L164-W182 VanDerWaalsContact CB-CZ2 3.48Å; L164-W182 HydrophobicContact CB-CZ3 4.27Å; L164-W182 HydrophobicContact CD2-CB 4.01Å; L164-W182 HydrophobicContact CD2-CD2 3.75Å; L164-W182 HydrophobicContact CD2-CE3 4.44Å; L164-W182 HydrophobicContact CD2-CG 3.51Å; L164-W182 HydrophobicContact CG-CD2 4.43Å; E178-W182 WeakPolarHBondContact O-CB 3.32Å; E178-W182 PolarHBondContact O-N 2.73Å; G179-W182 PolarHBondContact O-N 3.07Å; I180-W182 VanDerWaalsContact C-N 3.33Å; I180-W182 PolarHBondContact O-N 2.76Å; W182-V184 PolarHBondContact O-N 3.07Å; W182-K185 WeakPolarHBondContact O-CB 3.17Å; W182-K185 PolarHBondContact O-N 2.87Å; W182-C186 VanDerWaalsContact CE2-SG 3.51Å; W182-C186 VanDerWaalsContact CZ2-SG 3.53Å; W182-C186 PolarHBondContact O-N 2.85Å
183M98.4Very high95.9Very high0 Ų058.8 Ų58.80%027%0.271CS..Hα-helixtrans-58.9-46.8178.2-176.356.972.700111.4V20 V96 I97 P128 L130 G179 I180 K185 C186 V187V20-M183 HydrophobicContact CG1-CE 4.39Å; V20-M183 HydrophobicContact CG1-CG 4.34Å; V20-M183 HydrophobicContact CG2-CG 4.11Å; V96-M183 VanDerWaalsContact O-CE 3.26Å; V96-M183 WeakPolarHBondContact O-CE 3.38Å; I97-M183 HydrophobicContact CG1-CE 3.79Å; P128-M183 HydrophobicContact CG-SD 4.27Å; L130-M183 HydrophobicContact CB-CE 3.66Å; G179-M183 PolarHBondContact O-N 3.06Å; I180-M183 WeakPolarHBondContact O-CB 3.24Å; I180-M183 PolarHBondContact O-N 2.95Å; M183-K185 VanDerWaalsContact C-N 3.33Å; M183-K185 PolarHBondContact O-N 3.35Å; M183-C186 PolarHBondContact O-N 2.87Å; M183-V187 HydrophobicContact CG-CG1 4.27Å; M183-V187 WeakPolarHBondContact O-CG1 3.3Å; M183-V187 WeakPolarHBondContact O-CG2 3.25Å; M183-V187 PolarHBondContact O-N 2.82Å; M183-V187 HydrophobicContact SD-CG1 3.74Å
184V97.6Very high95.7Very high18 Ų1862.7 Ų62.711%0.10930%0.296CS..Hα-helixtrans-56.2-46.7176.4171.40000111.2V66 T69 L71 I180 W182 C186 V187 V188V66-V184 HydrophobicContact CB-CG2 4.02Å; V66-V184 HydrophobicContact CG1-CG2 4.17Å; V66-V184 HydrophobicContact CG2-CG2 4.2Å; T69-V184 HydrophobicContact CG2-CG1 4.23Å; L71-V184 HydrophobicContact CD1-CG2 3.72Å; L71-V184 HydrophobicContact CD2-CG2 4.3Å; L71-V184 HydrophobicContact CG-CG2 4.09Å; I180-V184 WeakPolarHBondContact O-CG2 3.49Å; I180-V184 PolarHBondContact O-N 3.32Å; W182-V184 PolarHBondContact O-N 3.07Å; V184-C186 VanDerWaalsContact C-N 3.32Å; V184-C186 PolarHBondContact O-N 3.21Å; V184-V187 WeakPolarHBondContact O-CG2 3.26Å; V184-V188 HydrophobicContact CG1-CG2 4.24Å; V184-V188 WeakPolarHBondContact O-CB 3.35Å; V184-V188 WeakPolarHBondContact O-CG2 3.42Å; V184-V188 PolarHBondContact O-N 3.43Å
185K97.5Very high95.4Very high143 Ų14356.5 Ų56.562%0.62227%0.273SS*.Hα-helixtrans-59.9-43.2178.7-72169.6-175.8170.80111.8E181 W182 M183 R189E181-K185 WeakPolarHBondContact O-CG 3.49Å; E181-K185 PolarHBondContact O-N 2.89Å; E181-K185 VanDerWaalsContact O-N 3.13Å; W182-K185 WeakPolarHBondContact O-CB 3.17Å; W182-K185 PolarHBondContact O-N 2.87Å; M183-K185 VanDerWaalsContact C-N 3.33Å; M183-K185 PolarHBondContact O-N 3.35Å; K185-R189 WeakPolarHBondContact O-CB 3.32Å; K185-R189 PolarHBondContact O-N 2.97Å
186C97.6Very high94.8Very high4 Ų461.6 Ų61.63%0.02729%0.29CS..Hα-helixtrans-68.3-48.2-179.3-74.60000112.6P128 W182 M183 V184 V188 R189 N190P128-C186 HydrophobicContact CB-CB 3.6Å; P128-C186 HydrophobicContact CG-CB 3.87Å; W182-C186 VanDerWaalsContact CE2-SG 3.51Å; W182-C186 VanDerWaalsContact CZ2-SG 3.53Å; W182-C186 PolarHBondContact O-N 2.85Å; M183-C186 PolarHBondContact O-N 2.87Å; V184-C186 VanDerWaalsContact C-N 3.32Å; V184-C186 PolarHBondContact O-N 3.21Å; C186-V188 PolarHBondContact O-N 3.33Å; C186-R189 PolarHBondContact O-N 3.44Å; C186-N190 WeakPolarHBondContact O-CB 3.44Å; C186-N190 PolarHBondContact O-N 2.83Å; C186-N190 VanDerWaalsContact O-N 3.12Å
187V96.9Very high93.5Very high1 Ų169.8 Ų69.81%0.00633%0.328CS..Hα-helixtrans-66.6-38.1-178.3-56.20000112Y18 L71 H94 P128 M183 V184 R189 N190Y18-V187 HydrophobicContact CD1-CB 3.75Å; Y18-V187 HydrophobicContact CD1-CG2 3.8Å; Y18-V187 HydrophobicContact CD2-CG2 4.08Å; Y18-V187 HydrophobicContact CE1-CB 4.21Å; Y18-V187 HydrophobicContact CE1-CG2 4.24Å; Y18-V187 WeakPolarHBondContact CE1-O 3.13Å; Y18-V187 HydrophobicContact CE2-CG2 4.49Å; Y18-V187 HydrophobicContact CG-CB 4.12Å; Y18-V187 HydrophobicContact CG-CG2 3.71Å; L71-V187 HydrophobicContact CD2-CG2 4.19Å; H94-V187 HydrophobicContact CB-CB 4.48Å; H94-V187 HydrophobicContact CB-CG1 4.33Å; H94-V187 WeakPolarHBondContact O-CG1 3.22Å; P128-V187 HydrophobicContact CG-CG1 4.02Å; M183-V187 HydrophobicContact CG-CG1 4.27Å; M183-V187 WeakPolarHBondContact O-CG1 3.3Å; M183-V187 WeakPolarHBondContact O-CG2 3.25Å; M183-V187 PolarHBondContact O-N 2.82Å; M183-V187 HydrophobicContact SD-CG1 3.74Å; V184-V187 WeakPolarHBondContact O-CG2 3.26Å; V187-R189 VanDerWaalsContact C-N 3.34Å; V187-R189 PolarHBondContact O-N 3.4Å; V187-N190 PolarHBondContact O-N 3.44Å
188V95.6Very high91.8Very high72 Ų7272.3 Ų72.344%0.43634%0.337SS..Hα-helixtrans-68-34.1178170.90000111.9Y18 T69 V184 C186 N190Y18-V188 HydrophobicContact CE2-CG2 4.02Å; T69-V188 HydrophobicContact CG2-CG2 4.23Å; V184-V188 HydrophobicContact CG1-CG2 4.24Å; V184-V188 WeakPolarHBondContact O-CB 3.35Å; V184-V188 WeakPolarHBondContact O-CG2 3.42Å; V184-V188 PolarHBondContact O-N 3.43Å; C186-V188 PolarHBondContact O-N 3.33Å; V188-N190 VanDerWaalsContact C-N 3.32Å
189R95Very high89.5Confident161 Ų16174.2 Ų74.261%0.60835%0.351SS*.Hα-helixtrans-76.4-20.5177.1-173.8176.366.3178.70.8112.7D162 K185 C186 V187 I191D162-R189 IonicContact OD1-NH2 3.87Å; D162-R189 PolarHBondContact OD1-NH2 2.75Å; D162-R189 IonicContact OD2-CZ 2.61Å; D162-R189 IonicContact OD2-NH2 3.7Å; D162-R189 PolarHBondContact OD2-NH2 2.85Å; K185-R189 WeakPolarHBondContact O-CB 3.32Å; K185-R189 PolarHBondContact O-N 2.97Å; C186-R189 PolarHBondContact O-N 3.44Å; V187-R189 VanDerWaalsContact C-N 3.34Å; V187-R189 PolarHBondContact O-N 3.4Å; R189-I191 PolarHBondContact O-N 2.93Å
190N94Very high87.1Confident21 Ų2180 Ų8011%0.11238%0.381CS..  trans-7790.1-173.6-167.1-10.1000112.2G126 C186 V187 V188 H192 R193G126-N190 PolarHBondContact O-ND2 2.95Å; C186-N190 WeakPolarHBondContact O-CB 3.44Å; C186-N190 PolarHBondContact O-N 2.83Å; C186-N190 VanDerWaalsContact O-N 3.12Å; V187-N190 PolarHBondContact O-N 3.44Å; V188-N190 VanDerWaalsContact C-N 3.32Å; N190-H192 PolarHBondContact O-N 3.35Å; N190-H192 VanDerWaalsContact O-N 3.16Å; N190-H192 PolarHBondContact OD1-N 2.87Å; N190-R193 CarbonylContact O-C 3.44Å; N190-R193 PolarHBondContact O-N 2.85Å; N190-R193 VanDerWaalsContact O-N 3.12Å
191I89.8Confident84.4Confident141 Ų14189 Ų8972%0.72344%0.436SS*.THydrogen-bonded Turntrans-62.6-21.4179.564.2173.1000113.8R189 R193R189-I191 PolarHBondContact O-N 2.93Å; I191-R193 VanDerWaalsContact C-N 3.33Å
192H89.6Confident83.8Confident151 Ų15189 Ų8970%0.69944%0.436SS*.THydrogen-bonded Turntrans-82.2-14.2-179.8-60.1-65.6000112.7N190N190-H192 PolarHBondContact O-N 3.35Å; N190-H192 VanDerWaalsContact O-N 3.16Å; N190-H192 PolarHBondContact OD1-N 2.87Å
193R91.3Very high83Confident64 Ų6490.9 Ų90.924%0.24245%0.449CS..SBendtrans-127.972.3177.5-64.5-67.8-177.5171.43.1109.2A91 A123 V127 N190 I191A91-R193 PolarHBondContact O-NH1 3.47Å; A91-R193 VanDerWaalsContact O-NH1 3.09Å; A123-R193 PolarHBondContact O-NH2 3.18Å; V127-R193 HydrophobicContact CG2-CG 4.37Å; N190-R193 CarbonylContact O-C 3.44Å; N190-R193 PolarHBondContact O-N 2.85Å; N190-R193 VanDerWaalsContact O-N 3.12Å; I191-R193 VanDerWaalsContact C-N 3.33Å
194P90.6Very high82.1Confident81 Ų8196 Ų9653%0.52647%0.474SS..PPolyproline II helixtrans-63.6157-179.529.4-36000111.2H94H94-P194 PolarHBondContact CD2-O 3.04Å; H94-P194 PolarHBondContact NE2-O 2.93Å
195P90.9Very high81.2Confident32 Ų32100.6 Ų100.621%0.20850%0.496CS..PPolyproline II helixtrans-59.2153.5179.923.7-32.5000112.1D16 E17 Y18 Q197D16-P195 HydrophobicContact CB-CB 3.76Å; D16-P195 HydrophobicContact CB-CG 3.94Å; E17-P195 WeakPolarHBondContact O-CA 3.26Å; Y18-P195 HydrophobicContact CD1-CB 4.38Å; Y18-P195 HydrophobicContact CD2-CB 4.37Å; Y18-P195 HydrophobicContact CE1-CB 3.91Å; Y18-P195 HydrophobicContact CE1-CG 4.41Å; Y18-P195 HydrophobicContact CE2-CB 3.91Å; P195-Q197 PolarHBondContact O-N 3.01Å
196R84.5Confident80.2Confident111 Ų11197.9 Ų97.942%0.41949%0.488SS..PPolyproline II helixtrans-56.7117.2175.7-94.4-178.293.3175.515.8110.2E17 C19 M72 K198E17-R196 PolarHBondContact O-N 3.41Å; C19-R196 VanDerWaalsContact SG-CD 3.52Å; M72-R196 VanDerWaalsContact CE-NH1 3.34Å; R196-K198 PolarHBondContact O-N 3.15Å
197Q68.8Low79Confident172 Ų172104.2 Ų104.280%0.80452%0.519SS*.PPolyproline II helixtrans-71125.9167-66.3-175.76.900108P195P195-Q197 PolarHBondContact O-N 3.01Å
198K59.6Low77.8Confident100 Ų100111.6 Ų111.644%0.43556%0.555SS.*PPolyproline II helixtrans-81.5122.2164-66.6-176.5178.71800106.1E17 R196 I200E17-K198 IonicContact OE2-NZ 2.92Å; R196-K198 PolarHBondContact O-N 3.15Å; K198-I200 PolarHBondContact O-N 3.41Å
199D49.5Very low76.4Confident145 Ų145114.6 Ų114.678%0.77556%0.564SS**  trans-52.3112.1172-68.4-43.1000108.5T201D199-T201 PolarHBondContact O-N 2.99Å
200I47.3Very low74.8Confident122 Ų122110.8 Ų110.863%0.62656%0.561SS**  trans-75.986.2174.1-52.7176.2000105.4K198K198-I200 PolarHBondContact O-N 3.41Å
201T42.3Very low73.1Confident189 Ų189118.9 Ų118.9100%1.1660%0.601SS**  trans-94.20165.835.10000110.5D199D199-T201 PolarHBondContact O-N 2.99Å

Retrieved 201 of 201 residues in 62.2 ms (Link to these results)

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