A0A096N5P8_PAPAN Loading...

Stimulator of chondrosis 1

AlphaFold DB (A0A2K5M6Q8), UniProt , Accession A0A096N5P8, Species PAPAN (Papio anubis, Olive baboon), Gene SCRG1, Length 98 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
1M62.2Low79.5Confident207 Ų207119.5 Ų119.5100%1.0262%0.621SS**  0-52.50-69.5174.778.900113L3 M4 V5M1-L3 PolarHBondContact O-N 3.44Å; M1-M4 PolarHBondContact O-N 3.45Å; M1-V5 PolarHBondContact O-N 3.3Å
2K73.6Confident79.3Confident196 Ų196117.6 Ų117.685%0.85261%0.611SS**Hα-helixtrans-55.7-40.5-179.1-69.4179.5175.8178.60115V5 L6K2-V5 PolarHBondContact O-N 3.13Å; K2-L6 PolarHBondContact O-N 2.96Å; K2-L6 VanDerWaalsContact O-N 3.13Å
3L77.6Confident79.1Confident136 Ų136115.2 Ų115.271%0.71261%0.605SS**Hα-helixtrans-66.8-41.8179-165.883.8000112.7M1 V5 L6 V7M1-L3 PolarHBondContact O-N 3.44Å; L3-V5 VanDerWaalsContact C-N 3.32Å; L3-V5 PolarHBondContact O-N 3.24Å; L3-L6 WeakPolarHBondContact O-CB 3.42Å; L3-L6 PolarHBondContact O-N 2.98Å; L3-V7 WeakPolarHBondContact O-CG2 3.36Å; L3-V7 PolarHBondContact O-N 3.2Å
4M80.8Confident78.5Confident146 Ų146115.1 Ų115.172%0.71960%0.604SS**Hα-helixtrans-61.2-41.7177.1-93.1-88.7170.100111.4M1 V7 F8M1-M4 PolarHBondContact O-N 3.45Å; M4-V7 PolarHBondContact O-N 3.45Å; M4-F8 WeakPolarHBondContact O-CB 3.34Å; M4-F8 PolarHBondContact O-N 3.22Å
5V82.9Confident77.8Confident92 Ų92116.7 Ų116.756%0.55861%0.613SS**Hα-helixtrans-62.6-43.9175.4176.60000110.7M1 K2 L3 V7 F8 T9M1-V5 PolarHBondContact O-N 3.3Å; K2-V5 PolarHBondContact O-N 3.13Å; L3-V5 VanDerWaalsContact C-N 3.32Å; L3-V5 PolarHBondContact O-N 3.24Å; V5-V7 PolarHBondContact O-N 3.39Å; V5-F8 PolarHBondContact O-N 2.94Å; V5-T9 HydrophobicContact CG1-CG2 4.39Å; V5-T9 WeakPolarHBondContact O-CG2 3.38Å; V5-T9 PolarHBondContact O-N 2.92Å; V5-T9 PolarHBondContact O-OG1 2.95Å; V5-T9 VanDerWaalsContact O-OG1 3.11Å
6L84.9Confident76.9Confident98 Ų98116.8 Ų116.851%0.51361%0.613SS.*Hα-helixtrans-60.3-47.7178.3-163.986.6000111.7K2 L3 F8 T9 I10K2-L6 PolarHBondContact O-N 2.96Å; K2-L6 VanDerWaalsContact O-N 3.13Å; L3-L6 WeakPolarHBondContact O-CB 3.42Å; L3-L6 PolarHBondContact O-N 2.98Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 3.47Å; L6-T9 WeakPolarHBondContact CA-OG1 3.4Å; L6-T9 PolarHBondContact O-N 3.49Å; L6-T9 PolarHBondContact O-OG1 3.47Å; L6-I10 HydrophobicContact CD2-CD1 4.04Å; L6-I10 HydrophobicContact CG-CD1 3.83Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.26Å
7V85.4Confident75.9Confident93 Ų93118.1 Ų118.156%0.56462%0.615SS**Hα-helixtrans-61.3-41.2177.7174.80000110.8L3 M4 V5 I10 G11L3-V7 WeakPolarHBondContact O-CG2 3.36Å; L3-V7 PolarHBondContact O-N 3.2Å; M4-V7 PolarHBondContact O-N 3.45Å; V5-V7 PolarHBondContact O-N 3.39Å; V7-I10 PolarHBondContact O-N 2.88Å; V7-G11 PolarHBondContact O-N 3.41Å
8F83.2Confident75.1Confident158 Ų158118.2 Ų118.269%0.69362%0.621SS**Hα-helixtrans-64.7-43.6177.5-133.3-92.4000111.9M4 V5 L6 G11 L12M4-F8 WeakPolarHBondContact O-CB 3.34Å; M4-F8 PolarHBondContact O-N 3.22Å; V5-F8 PolarHBondContact O-N 2.94Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 3.47Å; F8-G11 PolarHBondContact O-N 3.25Å; F8-L12 WeakPolarHBondContact O-CB 3.34Å; F8-L12 PolarHBondContact O-N 3.49Å
9T81.8Confident74.4Confident72 Ų72119.3 Ų119.344%0.44262%0.623SS.*Hα-helixtrans-65.6-41.1178.750.30000112.3V5 L6 L12 T13V5-T9 HydrophobicContact CG1-CG2 4.39Å; V5-T9 WeakPolarHBondContact O-CG2 3.38Å; V5-T9 PolarHBondContact O-N 2.92Å; V5-T9 PolarHBondContact O-OG1 2.95Å; V5-T9 VanDerWaalsContact O-OG1 3.11Å; L6-T9 WeakPolarHBondContact CA-OG1 3.4Å; L6-T9 PolarHBondContact O-N 3.49Å; L6-T9 PolarHBondContact O-OG1 3.47Å; T9-L12 PolarHBondContact O-N 3.11Å; T9-T13 WeakPolarHBondContact O-CG2 3.24Å; T9-T13 PolarHBondContact O-N 3.03Å; T9-T13 PolarHBondContact O-OG1 3.23Å
10I82.3Confident73.8Confident86 Ų86118.3 Ų118.344%0.44163%0.633SS.*Hα-helixtrans-68.8-41.8178.7-65.3165.4000110.6L6 V7 L12 T13 L14L6-I10 HydrophobicContact CD2-CD1 4.04Å; L6-I10 HydrophobicContact CG-CD1 3.83Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.26Å; V7-I10 PolarHBondContact O-N 2.88Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.36Å; I10-T13 WeakPolarHBondContact CA-OG1 3.36Å; I10-T13 PolarHBondContact O-N 3.23Å; I10-T13 PolarHBondContact O-OG1 3.46Å; I10-L14 HydrophobicContact CG2-CD1 4.16Å; I10-L14 WeakPolarHBondContact O-CG 3.41Å; I10-L14 PolarHBondContact O-N 3.44Å
11G80.1Confident73.2Confident31 Ų31119.3 Ų119.332%0.3264%0.635SS.*Hα-helixtrans-61.8-40.8175.200000112.1V7 F8 L14 L15V7-G11 PolarHBondContact O-N 3.41Å; F8-G11 PolarHBondContact O-N 3.25Å; G11-L14 PolarHBondContact O-N 2.78Å; G11-L15 WeakPolarHBondContact O-CG 3.47Å; G11-L15 PolarHBondContact O-N 3.4Å
12L77.3Confident72.9Confident96 Ų96115.2 Ų115.250%0.50362%0.624SS.*Hα-helixtrans-67.6-40.5178.7-158.475.8000112.1F8 T9 I10 L14 L15 L16F8-L12 WeakPolarHBondContact O-CB 3.34Å; F8-L12 PolarHBondContact O-N 3.49Å; T9-L12 PolarHBondContact O-N 3.11Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.36Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.18Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-L16 HydrophobicContact CD2-CD1 4.22Å; L12-L16 HydrophobicContact CG-CD1 3.9Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 2.82Å
13T75.7Confident72.2Confident86 Ų86110.5 Ų110.553%0.52861%0.612SS.*Hα-helixtrans-64.7-35.717848.50000112.6T9 I10 L15 L16T9-T13 WeakPolarHBondContact O-CG2 3.24Å; T9-T13 PolarHBondContact O-N 3.03Å; T9-T13 PolarHBondContact O-OG1 3.23Å; I10-T13 WeakPolarHBondContact CA-OG1 3.36Å; I10-T13 PolarHBondContact O-N 3.23Å; I10-T13 PolarHBondContact O-OG1 3.46Å; T13-L15 VanDerWaalsContact C-N 3.34Å; T13-L16 PolarHBondContact O-N 3.2Å
14L71.4Confident71.2Confident114 Ų114112.2 Ų112.260%0.59762%0.622SS**Hα-helixtrans-69.8-30.3176-70.6166.3000112.5I10 G11 L12I10-L14 HydrophobicContact CG2-CD1 4.16Å; I10-L14 WeakPolarHBondContact O-CG 3.41Å; I10-L14 PolarHBondContact O-N 3.44Å; G11-L14 PolarHBondContact O-N 2.78Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.18Å
15L67.4Low70.4Confident139 Ų139112.1 Ų112.173%0.72861%0.614SS**Hα-helixtrans-79.4-23.9175.5-69165.2000112.8G11 L12 T13 E17G11-L15 WeakPolarHBondContact O-CG 3.47Å; G11-L15 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 3.03Å; T13-L15 VanDerWaalsContact C-N 3.34Å; L15-E17 VanDerWaalsContact C-N 3.32Å
16L64.6Low69.9Low118 Ų118112.2 Ų112.262%0.61861%0.611SS**  trans-85.80.5-179.8-84.8156.7000113.6L12 T13 V18L12-L16 HydrophobicContact CD2-CD1 4.22Å; L12-L16 HydrophobicContact CG-CD1 3.9Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 2.82Å; T13-L16 PolarHBondContact O-N 3.2Å; L16-V18 PolarHBondContact O-N 2.88Å
17E58.5Low69.7Low140 Ų140112 Ų11265%0.65462%0.617SS**  trans-70.161163.6-67.8-170.5174.800110L15 Q19L15-E17 VanDerWaalsContact C-N 3.32Å; E17-Q19 PolarHBondContact O-N 2.75Å
18V62.5Low69.9Low120 Ų120110.5 Ų110.573%0.72761%0.61SS**  trans-62.996.1157.7177.80000104.7L16 A20L16-V18 PolarHBondContact O-N 2.88Å; V18-A20 VanDerWaalsContact C-N 3.35Å; V18-A20 PolarHBondContact O-N 3.04Å
19Q62.2Low70.1Confident139 Ų139106.9 Ų106.965%0.6559%0.592SS**  trans-57.1104.5171.7-65.2-175.29.800106.7E17 M21E17-Q19 PolarHBondContact O-N 2.75Å; Q19-M21 HydrophobicContact CB-CG 4.2Å; Q19-M21 PolarHBondContact O-N 3Å
20A61.6Low70.4Confident99 Ų99111.1 Ų111.182%0.81860%0.6SS**  trans-68.676.1165.700000106.7V18V18-A20 VanDerWaalsContact C-N 3.35Å; V18-A20 PolarHBondContact O-N 3.04Å
21M60.4Low70.6Confident139 Ų139110.5 Ų110.569%0.68559%0.594SS**PPolyproline II helixtrans-62.6131.6174.4-74.8-155.9155.800107.5Q19 T23Q19-M21 HydrophobicContact CB-CG 4.2Å; Q19-M21 PolarHBondContact O-N 3Å; M21-T23 PolarHBondContact O-N 3.31Å
22P56.6Low70.9Confident122 Ų122114 Ų11479%0.79261%0.605SS**PPolyproline II helixtrans-55.3122.5171.422.9-30.5000107.2N24P22-N24 PolarHBondContact O-N 3.14Å
23T57.9Low71.2Confident97 Ų97110.4 Ų110.460%0.59559%0.586SS**PPolyproline II helixtrans-57.4127.3173.7174.10000107.5M21 R25M21-T23 PolarHBondContact O-N 3.31Å; T23-R25 HydrophobicContact CG2-CB 4.13Å; T23-R25 HydrophobicContact CG2-CG 4.25Å; T23-R25 PolarHBondContact O-N 2.76Å; T23-R25 VanDerWaalsContact OG1-CD 3.28Å; T23-R25 WeakPolarHBondContact OG1-CD 3.45Å; T23-R25 VanDerWaalsContact OG1-CG 3.23Å; T23-R25 WeakPolarHBondContact OG1-CG 2.85Å
24N58.4Low70.9Confident172 Ų172115.2 Ų115.292%0.9260%0.599SS**  trans-69.129.7175.1-117.8-19000111.8P22 L26P22-N24 PolarHBondContact O-N 3.14Å; N24-L26 PolarHBondContact O-N 2.85Å
25R62.7Low70.6Confident144 Ų144117.2 Ų117.254%0.54361%0.611SS.*PPolyproline II helixtrans-69.1123177.2-87.7166178.8-102.3-14.1106.8T23 D82T23-R25 HydrophobicContact CG2-CB 4.13Å; T23-R25 HydrophobicContact CG2-CG 4.25Å; T23-R25 PolarHBondContact O-N 2.76Å; T23-R25 VanDerWaalsContact OG1-CD 3.28Å; T23-R25 WeakPolarHBondContact OG1-CD 3.45Å; T23-R25 VanDerWaalsContact OG1-CG 3.23Å; T23-R25 WeakPolarHBondContact OG1-CG 2.85Å; R25-D82 IonicContact CZ-OD2 3.21Å; R25-D82 IonicContact NH1-OD1 2.76Å; R25-D82 IonicContact NH1-OD2 2.97Å; R25-D82 PolarHBondContact NH1-OD2 2.95Å; R25-D82 IonicContact NH2-OD2 3.12Å; R25-D82 PolarHBondContact NH2-OD2 2.99Å
26L72.2Confident70.8Confident94 Ų94117 Ų11749%0.49260%0.6SS.*PPolyproline II helixtrans-51.5144.3167.9-64.3166.3000108.6N24 M67 P80N24-L26 PolarHBondContact O-N 2.85Å; L26-M67 HydrophobicContact CB-CE 4.29Å; L26-M67 HydrophobicContact CB-SD 3.78Å; L26-M67 HydrophobicContact CD1-CG 3.99Å; L26-M67 HydrophobicContact CD1-SD 3.62Å; L26-M67 HydrophobicContact CG-SD 4.34Å; L26-P80 HydrophobicContact CB-CG 4.01Å; L26-P80 WeakPolarHBondContact O-CG 3.22Å
27S82.4Confident71.4Confident93 Ų93112.7 Ų112.765%0.6558%0.578SS**PPolyproline II helixtrans-97.2165.6177.356.90000110.7
28C88.7Confident72.3Confident61 Ų61106.1 Ų106.141%0.41255%0.548SS..PPolyproline II helixtrans-67.4141.5169.3-66.80000110.8C78 C79C28-C78 CarbonylContact C-O 3.53Å; C28-C78 WeakPolarHBondContact CA-O 3.26Å; C28-C79 HydrophobicContact CB-CB 4.1Å; C28-C79 WeakPolarHBondContact CB-SG 3.02Å; C28-C79 WeakPolarHBondContact SG-CB 3.29Å; C28-C79 CovalentContact SG-SG 2.03Å; C28-C79 PolarHBondContact SG-SG 2.9Å
29Y87.6Confident73Confident82 Ų82104.9 Ų104.932%0.32253%0.534SS..EExtended strand (participates in β ladder)trans-140.9156.6174.672.5-93000111.1K31 D61 M67 C78Y29-K31 HydrophobicContact CE2-CB 4.16Å; Y29-D61 PolarHBondContact OH-OD2 2.76Å; Y29-M67 HydrophobicContact CD1-CE 4.05Å; Y29-M67 HydrophobicContact CE1-CE 3.72Å; Y29-C78 HydrophobicContact CD1-CB 3.98Å; Y29-C78 HydrophobicContact CD2-CB 4.31Å; Y29-C78 HydrophobicContact CE1-CB 3.51Å; Y29-C78 HydrophobicContact CE2-CB 3.87Å; Y29-C78 HydrophobicContact CG-CB 4.36Å; Y29-C78 VanDerWaalsContact CZ-CB 3.45Å; Y29-C78 PolarHBondContact N-O 3.49Å; Y29-C78 PolarHBondContact O-N 3.26Å
30R88.9Confident73.5Confident161 Ų161104.4 Ų104.461%0.60854%0.535SS*.EExtended strand (participates in β ladder)trans-108.4136.9176.6-172178.7178.6-16011.1109.8E75 L76R30-E75 VanDerWaalsContact CZ-CD 3.5Å; R30-E75 IonicContact CZ-OE1 3.74Å; R30-E75 IonicContact CZ-OE2 3.33Å; R30-E75 IonicContact NE-OE1 2.99Å; R30-E75 IonicContact NE-OE2 3.66Å; R30-E75 PolarHBondContact NE-OE2 2.88Å; R30-E75 IonicContact NH2-OE1 2.59Å; R30-E75 PolarHBondContact NH2-OE1 3.47Å; R30-E75 IonicContact NH2-OE2 2.61Å; R30-E75 PolarHBondContact NH2-OE2 2.88Å; R30-L76 CarbonylContact C-O 3.52Å; R30-L76 VanDerWaalsContact CA-O 3.31Å; R30-L76 WeakPolarHBondContact CA-O 3.26Å
31K86.1Confident73.8Confident74 Ų74101.6 Ų101.632%0.32251%0.506SS..EExtended strand (participates in β ladder)trans-126.4128177.4-178.1179-179.1-179.10109.1Y29 L76Y29-K31 HydrophobicContact CE2-CB 4.16Å; K31-L76 HydrophobicContact CB-CB 4.29Å; K31-L76 HydrophobicContact CD-CD1 4.41Å; K31-L76 PolarHBondContact N-O 3.41Å; K31-L76 PolarHBondContact O-N 2.87Å
32I86.1Confident73.7Confident104 Ų10498.5 Ų98.553%0.53350%0.497SS..EExtended strand (participates in β ladder)trans-98.2125.6177.1-59.2175.1000108.6K34I32-K34 PolarHBondContact O-N 3.22Å
33L82.4Confident73.8Confident21 Ų21102.3 Ų102.311%0.1150%0.504CS..  trans-85.491.5173.6-60178.4000108.1D35 R36 C38 L41 S74 L76L33-D35 PolarHBondContact O-N 3.16Å; L33-R36 HydrophobicContact CB-CB 4.38Å; L33-R36 VanDerWaalsContact CB-O 3.26Å; L33-R36 WeakPolarHBondContact CB-O 2.94Å; L33-R36 PolarHBondContact O-N 3.05Å; L33-C38 HydrophobicContact CD1-CB 3.73Å; L33-L41 HydrophobicContact CD1-CD1 4.37Å; L33-L41 HydrophobicContact CD1-CD2 4.47Å; L33-S74 WeakPolarHBondContact CB-O 3.39Å; L33-S74 PolarHBondContact N-O 2.79Å; L33-L76 HydrophobicContact CD1-CD1 4Å; L33-L76 HydrophobicContact CD1-CG 4.3Å; L33-L76 HydrophobicContact CD2-CD1 3.9Å; L33-L76 HydrophobicContact CG-CD1 4.06Å
34K70.8Confident73.8Confident186 Ų186101 Ų10181%0.80951%0.51SS*.THydrogen-bonded Turntrans-47.8-34.4-168.5-75.1-176.3173.8-178.10115.6I32I32-K34 PolarHBondContact O-N 3.22Å
35D65.4Low73.8Confident157 Ų15795.9 Ų95.984%0.8449%0.485SS*.THydrogen-bonded Turntrans-138.717.7-175.1-54.6-65.4000113.1L33L33-D35 PolarHBondContact O-N 3.16Å
36R71.4Confident73.8Confident133 Ų13389.9 Ų89.950%0.50247%0.466SS..  trans-140150-171-62.4-175.5-176.3131.8-5.9112L33 L41L33-R36 HydrophobicContact CB-CB 4.38Å; L33-R36 VanDerWaalsContact CB-O 3.26Å; L33-R36 WeakPolarHBondContact CB-O 2.94Å; L33-R36 PolarHBondContact O-N 3.05Å; R36-L41 HydrophobicContact CB-CD2 4.49Å
37N76.6Confident73.9Confident28 Ų2890.1 Ų90.115%0.1547%0.468CS..  trans-98.5134.3168.9179.5-11.4000108.4H39 N40 L41 F73N37-H39 PolarHBondContact ND2-CD2 3.18Å; N37-H39 PolarHBondContact O-N 2.76Å; N37-H39 WeakPolarHBondContact OD1-CB 3.41Å; N37-H39 PolarHBondContact OD1-CD2 2Å; N37-H39 PolarHBondContact OD1-N 3.05Å; N37-N40 CarbonylContact O-C 3.54Å; N37-N40 PolarHBondContact O-N 3.5Å; N37-L41 PolarHBondContact O-N 3.41Å; N37-F73 CarbonylContact C-O 3.59Å; N37-F73 VanDerWaalsContact CA-O 3.31Å; N37-F73 WeakPolarHBondContact CA-O 3.11Å; N37-F73 HydrophobicContact CB-CE2 4.43Å; N37-F73 WeakPolarHBondContact ND2-CD2 3.34Å; N37-F73 WeakPolarHBondContact ND2-CE2 3.36Å; N37-F73 PolarHBondContact OD1-O 3.21Å; N37-F73 VanDerWaalsContact OD1-O 3.05Å
38C77.8Confident73.7Confident3 Ų387.2 Ų87.22%0.0244%0.444CS..G310 helixtrans-63.5-17176.729.50000114.1L33 N40 L41 C71 F73 L76L33-C38 HydrophobicContact CD1-CB 3.73Å; C38-N40 VanDerWaalsContact C-N 3.31Å; C38-N40 PolarHBondContact O-N 2.84Å; C38-L41 HydrophobicContact CB-CD1 3.78Å; C38-C71 HydrophobicContact CB-CB 3.73Å; C38-C71 WeakPolarHBondContact CB-SG 3.17Å; C38-C71 VanDerWaalsContact SG-CA 3.52Å; C38-C71 WeakPolarHBondContact SG-CB 3.36Å; C38-C71 CovalentContact SG-SG 2Å; C38-C71 PolarHBondContact SG-SG 3.26Å; C38-F73 PolarHBondContact N-O 3.08Å; C38-F73 PolarHBondContact SG-O 2.59Å; C38-L76 HydrophobicContact CB-CD2 4.11Å
39H76.1Confident73.3Confident94 Ų9488.1 Ų88.144%0.43545%0.448SS..G310 helixtrans-74.5-15.9170.6-51.2-54.8000114.1N37 D57N37-H39 PolarHBondContact ND2-CD2 3.18Å; N37-H39 PolarHBondContact O-N 2.76Å; N37-H39 WeakPolarHBondContact OD1-CB 3.41Å; N37-H39 PolarHBondContact OD1-CD2 2Å; N37-H39 PolarHBondContact OD1-N 3.05Å; H39-D57 IonicContact CE1-OD1 2.59Å; H39-D57 PolarHBondContact CE1-OD1 3Å; H39-D57 IonicContact ND1-OD1 2.96Å; H39-D57 PolarHBondContact ND1-OD1 2.74Å
40N72.8Confident72.9Confident128 Ų12889.4 Ų89.468%0.68446%0.457SS*.G310 helixtrans-127.730-178.3-67.6-55.9000111.8N37 C38 P42N37-N40 CarbonylContact O-C 3.54Å; N37-N40 PolarHBondContact O-N 3.5Å; C38-N40 VanDerWaalsContact C-N 3.31Å; C38-N40 PolarHBondContact O-N 2.84Å; N40-P42 WeakPolarHBondContact O-CD 3.31Å
41L67.9Low72.3Confident40 Ų4082.4 Ų82.421%0.20943%0.432CS..PPolyproline II helixtrans-66.3124.2175.6-79160.5000109.1L33 R36 N37 C38 A46 L48L33-L41 HydrophobicContact CD1-CD1 4.37Å; L33-L41 HydrophobicContact CD1-CD2 4.47Å; R36-L41 HydrophobicContact CB-CD2 4.49Å; N37-L41 PolarHBondContact O-N 3.41Å; C38-L41 HydrophobicContact CB-CD1 3.78Å; L41-A46 HydrophobicContact CD1-CB 4.5Å; L41-A46 HydrophobicContact CD2-CB 4.41Å; L41-L48 HydrophobicContact CD1-CD1 3.66Å
42P59.8Low71.7Confident74 Ų7481.7 Ų81.748%0.48143%0.431SS..PPolyproline II helixtrans-60.3144.4167.3-11.424.5000108.9N40 G44 V45N40-P42 WeakPolarHBondContact O-CD 3.31Å; P42-G44 PolarHBondContact O-N 3Å; P42-V45 HydrophobicContact CB-CG2 3.82Å; P42-V45 HydrophobicContact CG-CG2 3.96Å; P42-V45 WeakPolarHBondContact O-CG2 3.33Å; P42-V45 PolarHBondContact O-N 3.08Å
43E58.9Low70.9Confident203 Ų20381.9 Ų81.995%0.94944%0.437SS*.THydrogen-bonded Turntrans-47129.4173.1-74.6-178.616900110.4
44G57.2Low70.4Confident70 Ų7087.5 Ų87.572%0.72247%0.467SS*.THydrogen-bonded Turntrans88.34.7171.200000117.4P42P42-G44 PolarHBondContact O-N 3Å
45V58.1Low70.7Confident64 Ų6480.3 Ų80.339%0.38844%0.439SS..SBendtrans-92.4-7-174.3-165.50000114.4P42P42-V45 HydrophobicContact CB-CG2 3.82Å; P42-V45 HydrophobicContact CG-CG2 3.96Å; P42-V45 WeakPolarHBondContact O-CG2 3.33Å; P42-V45 PolarHBondContact O-N 3.08Å
46A63.2Low71.3Confident17 Ų1779.6 Ų79.614%0.1443%0.431CS..SBendtrans-141.97.4-17800000115L41 L48L41-A46 HydrophobicContact CD1-CB 4.5Å; L41-A46 HydrophobicContact CD2-CB 4.41Å; A46-L48 HydrophobicContact CB-CB 4.07Å; A46-L48 HydrophobicContact CB-CD1 3.46Å; A46-L48 VanDerWaalsContact CB-CD1 3.46Å; A46-L48 HydrophobicContact CB-CG 3.55Å; A46-L48 PolarHBondContact O-N 2.91Å
47D74.3Confident71.9Confident100 Ų10075.7 Ų75.754%0.53542%0.419SS..SBendtrans45.131.8-163.7-66-18.2000111.9G62D47-G62 PolarHBondContact O-N 2.03Å
48L77.6Confident72.4Confident31 Ų3175.8 Ų75.816%0.16242%0.419CS..EExtended strand (participates in β ladder)trans-93.7121.4178.1-69.9171.7000108.5L41 A46 F59 W60 D61 C69 L76L41-L48 HydrophobicContact CD1-CD1 3.66Å; A46-L48 HydrophobicContact CB-CB 4.07Å; A46-L48 HydrophobicContact CB-CD1 3.46Å; A46-L48 VanDerWaalsContact CB-CD1 3.46Å; A46-L48 HydrophobicContact CB-CG 3.55Å; A46-L48 PolarHBondContact O-N 2.91Å; L48-F59 HydrophobicContact CB-CB 4.12Å; L48-F59 HydrophobicContact CB-CD1 4.46Å; L48-F59 HydrophobicContact CB-CG 4.48Å; L48-F59 HydrophobicContact CD2-CB 3.94Å; L48-F59 HydrophobicContact CG-CB 4.49Å; L48-W60 CarbonylContact C-O 3.55Å; L48-W60 VanDerWaalsContact CA-O 3.22Å; L48-W60 WeakPolarHBondContact CA-O 3.23Å; L48-D61 HydrophobicContact CD2-CB 4.05Å; L48-C69 HydrophobicContact CD2-CB 4.3Å; L48-L76 HydrophobicContact CD1-CD1 3.53Å; L48-L76 HydrophobicContact CD1-CD2 4.27Å
49T79.7Confident72.8Confident80 Ų8076.7 Ų76.749%0.49142%0.423SS..EExtended strand (participates in β ladder)trans-115.7128.2177.5-51.50000108.7I51 F59 W60T49-I51 PolarHBondContact O-N 2.76Å; T49-F59 CarbonylContact O-C 3.46Å; T49-F59 VanDerWaalsContact O-CA 3.28Å; T49-F59 WeakPolarHBondContact O-CA 3.13Å; T49-W60 PolarHBondContact N-O 3.31Å; T49-W60 PolarHBondContact O-N 2.87Å
50E79.1Confident73.3Confident110 Ų11072.8 Ų72.851%0.51440%0.404SS..EExtended strand (participates in β ladder)trans-61.5136.8176.9-163.8172.1-168.200110.3F59E50-F59 HydrophobicContact CB-CD1 4.33Å; E50-F59 HydrophobicContact CB-CE1 4.37Å; E50-F59 HydrophobicContact CG-CE1 4.43Å
51I77Confident73.9Confident14 Ų1468.3 Ų68.37%0.07238%0.38CS..  trans-73-50.7-173.9-62.9-171.6000111.2T49 H58 W60 I68 I93 P94T49-I51 PolarHBondContact O-N 2.76Å; I51-H58 HydrophobicContact CD1-CB 3.83Å; I51-H58 HydrophobicContact CG1-CB 4.38Å; I51-H58 PolarHBondContact N-O 3.05Å; I51-W60 HydrophobicContact CD1-CD2 4.26Å; I51-W60 HydrophobicContact CD1-CZ2 4.36Å; I51-W60 HydrophobicContact CG1-CD2 4.08Å; I51-W60 HydrophobicContact CG1-CG 4.03Å; I51-W60 HydrophobicContact CG1-CZ2 4.5Å; I51-W60 HydrophobicContact CG2-CZ2 4.28Å; I51-I68 HydrophobicContact CD1-CB 4.34Å; I51-I68 HydrophobicContact CD1-CD1 3.88Å; I51-I68 HydrophobicContact CD1-CG1 3.88Å; I51-I68 HydrophobicContact CD1-CG2 3.61Å; I51-I93 HydrophobicContact CD1-CG2 4.32Å; I51-I93 HydrophobicContact CG2-CG2 3.39Å; I51-P94 HydrophobicContact CG2-CG 4.41Å
52D74.3Confident74.3Confident59 Ų5967.6 Ų67.632%0.31638%0.382SS..  trans-169.2151.6-179.3-175.4-94.9000108.7N54 V55 P94D52-N54 PolarHBondContact O-N 3.39Å; D52-N54 VanDerWaalsContact O-N 3.08Å; D52-N54 VanDerWaalsContact OD1-CB 3.25Å; D52-N54 WeakPolarHBondContact OD1-CB 3.28Å; D52-N54 PolarHBondContact OD1-N 2.89Å; D52-N54 PolarHBondContact OD1-ND2 2.99Å; D52-V55 HydrophobicContact CB-CG2 4.32Å; D52-V55 PolarHBondContact O-N 3.47Å; D52-P94 HydrophobicContact CB-CG 4.09Å
53V67.8Low74.9Confident108 Ų10873.9 Ų73.966%0.65540%0.402SS*.THydrogen-bonded Turntrans-58.3-23.3178.4-66.50000113.9
54N72.9Confident75.7Confident139 Ų13965.5 Ų65.574%0.74337%0.37SS*.THydrogen-bonded Turntrans-90.5-11.6179.4-62.9-31.2000113.4D52D52-N54 PolarHBondContact O-N 3.39Å; D52-N54 VanDerWaalsContact O-N 3.08Å; D52-N54 VanDerWaalsContact OD1-CB 3.25Å; D52-N54 WeakPolarHBondContact OD1-CB 3.28Å; D52-N54 PolarHBondContact OD1-N 2.89Å; D52-N54 PolarHBondContact OD1-ND2 2.99Å
55V76.3Confident77Confident34 Ų3463.2 Ų63.221%0.20634%0.343CS..SBendtrans-10970.7179.1-166.80000108.5D52 H58 F85D52-V55 HydrophobicContact CB-CG2 4.32Å; D52-V55 PolarHBondContact O-N 3.47Å; V55-H58 HydrophobicContact CG1-CB 3.79Å; V55-H58 PolarHBondContact O-N 3.42Å; V55-F85 HydrophobicContact CG1-CZ 4.43Å
56Q78.8Confident78.2Confident143 Ų14366.8 Ų66.867%0.66836%0.355SS*.THydrogen-bonded Turntrans-55.8145.3-177.3-65.5-176.9-5.800111.8H58Q56-H58 PolarHBondContact O-N 3.07Å; Q56-H58 VanDerWaalsContact O-N 3.07Å; Q56-H58 PolarHBondContact O-ND1 2.89Å
57D84.6Confident79.3Confident50 Ų5066.8 Ų66.827%0.26735%0.352SS..THydrogen-bonded Turntrans62.211.5175.6-53.5-36.1000115.2H39 Y70 C71H39-D57 IonicContact CE1-OD1 2.59Å; H39-D57 PolarHBondContact CE1-OD1 3Å; H39-D57 IonicContact ND1-OD1 2.96Å; H39-D57 PolarHBondContact ND1-OD1 2.74Å; D57-Y70 HydrophobicContact CB-CD2 4.17Å; D57-Y70 HydrophobicContact CB-CE2 3.91Å; D57-Y70 CarbonylContact O-C 3.56Å; D57-Y70 WeakPolarHBondContact O-CA 3.49Å; D57-C71 HydrophobicContact CB-CB 4.19Å; D57-C71 WeakPolarHBondContact O-CB 3.28Å; D57-C71 PolarHBondContact O-N 2.03Å
58H86.3Confident80Confident30 Ų3062 Ų6214%0.13933%0.327CS..EExtended strand (participates in β ladder)trans-112136.5175.1-63.670.2000111.6I51 V55 Q56 I68 C69 Y70 F84 F85I51-H58 HydrophobicContact CD1-CB 3.83Å; I51-H58 HydrophobicContact CG1-CB 4.38Å; I51-H58 PolarHBondContact N-O 3.05Å; V55-H58 HydrophobicContact CG1-CB 3.79Å; V55-H58 PolarHBondContact O-N 3.42Å; Q56-H58 PolarHBondContact O-N 3.07Å; Q56-H58 VanDerWaalsContact O-N 3.07Å; Q56-H58 PolarHBondContact O-ND1 2.89Å; H58-I68 HydrophobicContact CB-CG2 4.28Å; H58-C69 WeakPolarHBondContact CA-O 3.07Å; H58-Y70 AromaticContact CE1-CD2 3.56Å; H58-Y70 AromaticContact NE2-CD2 3.8Å; H58-F84 AromaticContact CD2-CE1 3.53Å; H58-F84 AromaticContact CD2-CZ 3.97Å; H58-F84 AromaticContact NE2-CE1 3.29Å; H58-F84 VanDerWaalsContact NE2-CE1 3.29Å; H58-F84 WeakPolarHBondContact NE2-CE1 3.41Å; H58-F84 AromaticContact NE2-CZ 3.7Å; H58-F85 AromaticContact CD2-CZ 3.84Å
59F85.8Confident80.6Confident23 Ų2360.5 Ų60.510%0.10132%0.319CS..EExtended strand (participates in β ladder)trans-135.3140.5-174-56-91.2000110.2L48 T49 E50 I68 C69 C71L48-F59 HydrophobicContact CB-CB 4.12Å; L48-F59 HydrophobicContact CB-CD1 4.46Å; L48-F59 HydrophobicContact CB-CG 4.48Å; L48-F59 HydrophobicContact CD2-CB 3.94Å; L48-F59 HydrophobicContact CG-CB 4.49Å; T49-F59 CarbonylContact O-C 3.46Å; T49-F59 VanDerWaalsContact O-CA 3.28Å; T49-F59 WeakPolarHBondContact O-CA 3.13Å; E50-F59 HydrophobicContact CB-CD1 4.33Å; E50-F59 HydrophobicContact CB-CE1 4.37Å; E50-F59 HydrophobicContact CG-CE1 4.43Å; F59-I68 CarbonylContact O-C 3.57Å; F59-I68 WeakPolarHBondContact O-CA 3.39Å; F59-C69 PolarHBondContact N-O 2.9Å; F59-C69 PolarHBondContact O-N 2.77Å; F59-C71 HydrophobicContact CD2-CB 4.1Å; F59-C71 HydrophobicContact CE2-CB 3.53Å
60W86.5Confident81Confident12 Ų1260.9 Ų60.95%0.04531%0.312CS..EExtended strand (participates in β ladder)trans-69.1139.4161.8-65.2117.1000110L48 T49 I51 C65 I68 K81 I93 P94L48-W60 CarbonylContact C-O 3.55Å; L48-W60 VanDerWaalsContact CA-O 3.22Å; L48-W60 WeakPolarHBondContact CA-O 3.23Å; T49-W60 PolarHBondContact N-O 3.31Å; T49-W60 PolarHBondContact O-N 2.87Å; I51-W60 HydrophobicContact CD1-CD2 4.26Å; I51-W60 HydrophobicContact CD1-CZ2 4.36Å; I51-W60 HydrophobicContact CG1-CD2 4.08Å; I51-W60 HydrophobicContact CG1-CG 4.03Å; I51-W60 HydrophobicContact CG1-CZ2 4.5Å; I51-W60 HydrophobicContact CG2-CZ2 4.28Å; W60-C65 HydrophobicContact CD2-CB 3.98Å; W60-C65 HydrophobicContact CE3-CB 3.76Å; W60-C65 HydrophobicContact CH2-CB 3.51Å; W60-C65 HydrophobicContact CZ2-CB 3.7Å; W60-C65 HydrophobicContact CZ3-CB 3.52Å; W60-C65 WeakPolarHBondContact CZ3-O 2.9Å; W60-I68 HydrophobicContact CD2-CG1 4.29Å; W60-I68 HydrophobicContact CE3-CD1 4.13Å; W60-I68 HydrophobicContact CE3-CG1 3.41Å; W60-I68 VanDerWaalsContact CE3-CG1 3.41Å; W60-I68 HydrophobicContact CH2-CD1 3.49Å; W60-I68 VanDerWaalsContact CH2-CD1 3.49Å; W60-I68 HydrophobicContact CH2-CG1 3.77Å; W60-I68 HydrophobicContact CZ2-CD1 4.32Å; W60-I68 HydrophobicContact CZ3-CD1 3.39Å; W60-I68 HydrophobicContact CZ3-CG1 3.1Å; W60-K81 HydrophobicContact CH2-CB 4.48Å; W60-K81 HydrophobicContact CH2-CD 4.4Å; W60-K81 HydrophobicContact CZ3-CB 4.29Å; W60-I93 HydrophobicContact CH2-CB 4.5Å; W60-I93 HydrophobicContact CH2-CG2 3.89Å; W60-I93 HydrophobicContact CZ2-CB 4.44Å; W60-I93 HydrophobicContact CZ2-CG2 3.53Å; W60-P94 WeakPolarHBondContact CZ2-O 3.31Å; W60-P94 PolarHBondContact NE1-O 3.29Å
61D85.3Confident81.5Confident33 Ų3355.7 Ų55.718%0.17629%0.288CS..EExtended strand (participates in β ladder)trans-109.8119.3176.7177.152.9000111.4Y29 L48 M67 C69Y29-D61 PolarHBondContact OH-OD2 2.76Å; L48-D61 HydrophobicContact CD2-CB 4.05Å; D61-M67 HydrophobicContact CB-CB 4.12Å; D61-M67 PolarHBondContact N-O 2.87Å; D61-C69 VanDerWaalsContact CB-SG 3.56Å
62G77.1Confident82Confident25 Ų2559.5 Ų59.526%0.25831%0.309SS..SBendtrans85-152.3177.500000113.7D47D47-G62 PolarHBondContact O-N 2.03Å
63K71.9Confident82.6Confident207 Ų20762.7 Ų62.790%0.932%0.32SS*.SBendtrans-93.9117178.1-64.4-173.7-179.5-176.10109.6
64G77.1Confident83.6Confident27 Ų2759.4 Ų59.428%0.27830%0.302SS..SBendtrans101.8-172.3179.900000113
65C83.4Confident84.3Confident21 Ų2155.3 Ų55.314%0.14228%0.278CS..SBendtrans-121.639.7-168.6-58.40000112.3W60 C95W60-C65 HydrophobicContact CD2-CB 3.98Å; W60-C65 HydrophobicContact CE3-CB 3.76Å; W60-C65 HydrophobicContact CH2-CB 3.51Å; W60-C65 HydrophobicContact CZ2-CB 3.7Å; W60-C65 HydrophobicContact CZ3-CB 3.52Å; W60-C65 WeakPolarHBondContact CZ3-O 2.9Å; C65-C95 HydrophobicContact CB-CB 3.53Å; C65-C95 WeakPolarHBondContact CB-SG 3.22Å; C65-C95 WeakPolarHBondContact SG-CA 3.46Å; C65-C95 WeakPolarHBondContact SG-CB 3.14Å; C65-C95 CovalentContact SG-SG 2Å; C65-C95 PolarHBondContact SG-SG 3.38Å
66E84Confident84.9Confident140 Ų14053.7 Ų53.765%0.65427%0.269SS*.SBendtrans-90.4-40.1-178.2-63.3-171.9172.400111.5P80 K81E66-P80 CarbonylContact O-C 3.6Å; E66-P80 WeakPolarHBondContact O-CA 3.19Å; E66-K81 PolarHBondContact O-N 3.2Å
67M86.8Confident85.5Confident16 Ų1650.7 Ų50.78%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-115.1130.3-175-64.1-60.3-73.600111.2L26 Y29 D61 C79 P80L26-M67 HydrophobicContact CB-CE 4.29Å; L26-M67 HydrophobicContact CB-SD 3.78Å; L26-M67 HydrophobicContact CD1-CG 3.99Å; L26-M67 HydrophobicContact CD1-SD 3.62Å; L26-M67 HydrophobicContact CG-SD 4.34Å; Y29-M67 HydrophobicContact CD1-CE 4.05Å; Y29-M67 HydrophobicContact CE1-CE 3.72Å; D61-M67 HydrophobicContact CB-CB 4.12Å; D61-M67 PolarHBondContact N-O 2.87Å; M67-C79 WeakPolarHBondContact CA-O 2.99Å; M67-P80 HydrophobicContact SD-CB 4.26Å; M67-P80 HydrophobicContact SD-CG 4.06Å; M67-P80 VanDerWaalsContact SD-N 3.44Å
68I88.6Confident85.7Confident0 Ų048.3 Ų48.30%024%0.244CC..EExtended strand (participates in β ladder)trans-117.9132.1176.9-62.8173.7000108.7I51 H58 F59 W60 C78 C79 K81 F85 I93I51-I68 HydrophobicContact CD1-CB 4.34Å; I51-I68 HydrophobicContact CD1-CD1 3.88Å; I51-I68 HydrophobicContact CD1-CG1 3.88Å; I51-I68 HydrophobicContact CD1-CG2 3.61Å; H58-I68 HydrophobicContact CB-CG2 4.28Å; F59-I68 CarbonylContact O-C 3.57Å; F59-I68 WeakPolarHBondContact O-CA 3.39Å; W60-I68 HydrophobicContact CD2-CG1 4.29Å; W60-I68 HydrophobicContact CE3-CD1 4.13Å; W60-I68 HydrophobicContact CE3-CG1 3.41Å; W60-I68 VanDerWaalsContact CE3-CG1 3.41Å; W60-I68 HydrophobicContact CH2-CD1 3.49Å; W60-I68 VanDerWaalsContact CH2-CD1 3.49Å; W60-I68 HydrophobicContact CH2-CG1 3.77Å; W60-I68 HydrophobicContact CZ2-CD1 4.32Å; W60-I68 HydrophobicContact CZ3-CD1 3.39Å; W60-I68 HydrophobicContact CZ3-CG1 3.1Å; I68-C78 CarbonylContact O-C 3.46Å; I68-C78 VanDerWaalsContact O-CA 3.26Å; I68-C78 WeakPolarHBondContact O-CA 3.25Å; I68-C79 PolarHBondContact N-O 2.82Å; I68-C79 PolarHBondContact O-N 2.99Å; I68-K81 HydrophobicContact CD1-CB 3.58Å; I68-K81 HydrophobicContact CG1-CB 4.14Å; I68-F85 HydrophobicContact CD1-CD2 3.69Å; I68-F85 HydrophobicContact CD1-CE2 3.38Å; I68-F85 HydrophobicContact CG1-CE2 4.49Å; I68-F85 HydrophobicContact CG2-CE2 4.05Å; I68-I93 HydrophobicContact CD1-CG2 4.36Å
69C89.2Confident85.9Confident0 Ų047.1 Ų47.10%024%0.239CC..EExtended strand (participates in β ladder)trans-108.2131.3173.3-56.60000111L48 H58 F59 D61 L76 L77 C78L48-C69 HydrophobicContact CD2-CB 4.3Å; H58-C69 WeakPolarHBondContact CA-O 3.07Å; F59-C69 PolarHBondContact N-O 2.9Å; F59-C69 PolarHBondContact O-N 2.77Å; D61-C69 VanDerWaalsContact CB-SG 3.56Å; C69-L76 HydrophobicContact CB-CB 4.28Å; C69-L76 HydrophobicContact CB-CD2 3.89Å; C69-L77 CarbonylContact C-O 3.59Å; C69-L77 VanDerWaalsContact CA-O 3.26Å; C69-L77 WeakPolarHBondContact CA-O 3.34Å; C69-C78 HydrophobicContact CB-CB 4.1Å; C69-C78 WeakPolarHBondContact CB-SG 3.47Å; C69-C78 WeakPolarHBondContact SG-CB 3.33Å; C69-C78 CovalentContact SG-SG 2.03Å; C69-C78 PolarHBondContact SG-SG 2.99Å
70Y89.6Confident86Confident88 Ų8846.4 Ų46.435%0.34524%0.237SC..EExtended strand (participates in β ladder)trans-90.9129.8162.7169.7-104.7000110.3D57 H58 N72 L76 L77 F84D57-Y70 HydrophobicContact CB-CD2 4.17Å; D57-Y70 HydrophobicContact CB-CE2 3.91Å; D57-Y70 CarbonylContact O-C 3.56Å; D57-Y70 WeakPolarHBondContact O-CA 3.49Å; H58-Y70 AromaticContact CE1-CD2 3.56Å; H58-Y70 AromaticContact NE2-CD2 3.8Å; Y70-N72 HydrophobicContact CD1-CB 4.48Å; Y70-N72 HydrophobicContact CE1-CB 3.92Å; Y70-L76 WeakPolarHBondContact O-CA 2.87Å; Y70-L77 PolarHBondContact N-O 3.07Å; Y70-L77 PolarHBondContact O-N 2.58Å; Y70-F84 HydrophobicContact CG-CZ 4.49Å
71C88.4Confident86Confident1 Ų149 Ų491%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-86.3122.6176.1172.40000111C38 D57 F59 L76C38-C71 HydrophobicContact CB-CB 3.73Å; C38-C71 WeakPolarHBondContact CB-SG 3.17Å; C38-C71 VanDerWaalsContact SG-CA 3.52Å; C38-C71 WeakPolarHBondContact SG-CB 3.36Å; C38-C71 CovalentContact SG-SG 2Å; C38-C71 PolarHBondContact SG-SG 3.26Å; D57-C71 HydrophobicContact CB-CB 4.19Å; D57-C71 WeakPolarHBondContact O-CB 3.28Å; D57-C71 PolarHBondContact O-N 2.03Å; F59-C71 HydrophobicContact CD2-CB 4.1Å; F59-C71 HydrophobicContact CE2-CB 3.53Å; C71-L76 HydrophobicContact CB-CD2 4.1Å
72N88.7Confident85.9Confident94 Ų9449.4 Ų49.450%0.50325%0.25SS..EExtended strand (participates in β ladder)trans-120.982.3164.8-174.719.3000108.5Y70 S74 E75Y70-N72 HydrophobicContact CD1-CB 4.48Å; Y70-N72 HydrophobicContact CE1-CB 3.92Å; N72-S74 PolarHBondContact O-N 2.97Å; N72-E75 PolarHBondContact N-O 2.96Å; N72-E75 PolarHBondContact O-N 2.78Å
73F86.6Confident86.2Confident125 Ų12551.8 Ų51.855%0.54826%0.26SS..THydrogen-bonded Turntrans59-94.7179.6-166.3-108.8000114.1N37 C38N37-F73 CarbonylContact C-O 3.59Å; N37-F73 VanDerWaalsContact CA-O 3.31Å; N37-F73 WeakPolarHBondContact CA-O 3.11Å; N37-F73 HydrophobicContact CB-CE2 4.43Å; N37-F73 WeakPolarHBondContact ND2-CD2 3.34Å; N37-F73 WeakPolarHBondContact ND2-CE2 3.36Å; N37-F73 PolarHBondContact OD1-O 3.21Å; N37-F73 VanDerWaalsContact OD1-O 3.05Å; C38-F73 PolarHBondContact N-O 3.08Å; C38-F73 PolarHBondContact SG-O 2.59Å
74S87.1Confident86.8Confident40 Ų4044.7 Ų44.728%0.2823%0.229SC..THydrogen-bonded Turntrans-99.78.4178.455.70000113.1L33 N72L33-S74 WeakPolarHBondContact CB-O 3.39Å; L33-S74 PolarHBondContact N-O 2.79Å; N72-S74 PolarHBondContact O-N 2.97Å
75E88.1Confident86.9Confident52 Ų5245.5 Ų45.524%0.24323%0.225CC..EExtended strand (participates in β ladder)trans-126.8141.5-176.3-58.1-173.2163.600111.8R30 N72R30-E75 VanDerWaalsContact CZ-CD 3.5Å; R30-E75 IonicContact CZ-OE1 3.74Å; R30-E75 IonicContact CZ-OE2 3.33Å; R30-E75 IonicContact NE-OE1 2.99Å; R30-E75 IonicContact NE-OE2 3.66Å; R30-E75 PolarHBondContact NE-OE2 2.88Å; R30-E75 IonicContact NH2-OE1 2.59Å; R30-E75 PolarHBondContact NH2-OE1 3.47Å; R30-E75 IonicContact NH2-OE2 2.61Å; R30-E75 PolarHBondContact NH2-OE2 2.88Å; N72-E75 PolarHBondContact N-O 2.96Å; N72-E75 PolarHBondContact O-N 2.78Å
76L89.5Confident86.6Confident1 Ų145.5 Ų45.51%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-118.2128.8174.8-68.4161.7000109.3R30 K31 L33 C38 L48 C69 Y70 C71R30-L76 CarbonylContact C-O 3.52Å; R30-L76 VanDerWaalsContact CA-O 3.31Å; R30-L76 WeakPolarHBondContact CA-O 3.26Å; K31-L76 HydrophobicContact CB-CB 4.29Å; K31-L76 HydrophobicContact CD-CD1 4.41Å; K31-L76 PolarHBondContact N-O 3.41Å; K31-L76 PolarHBondContact O-N 2.87Å; L33-L76 HydrophobicContact CD1-CD1 4Å; L33-L76 HydrophobicContact CD1-CG 4.3Å; L33-L76 HydrophobicContact CD2-CD1 3.9Å; L33-L76 HydrophobicContact CG-CD1 4.06Å; C38-L76 HydrophobicContact CB-CD2 4.11Å; L48-L76 HydrophobicContact CD1-CD1 3.53Å; L48-L76 HydrophobicContact CD1-CD2 4.27Å; C69-L76 HydrophobicContact CB-CB 4.28Å; C69-L76 HydrophobicContact CB-CD2 3.89Å; Y70-L76 WeakPolarHBondContact O-CA 2.87Å; C71-L76 HydrophobicContact CB-CD2 4.1Å
77L91.1Very high86.1Confident80 Ų8044 Ų4442%0.41923%0.231SC..EExtended strand (participates in β ladder)trans-103.9107.2167.2176.464.5000108.5C69 Y70 F84C69-L77 CarbonylContact C-O 3.59Å; C69-L77 VanDerWaalsContact CA-O 3.26Å; C69-L77 WeakPolarHBondContact CA-O 3.34Å; Y70-L77 PolarHBondContact N-O 3.07Å; Y70-L77 PolarHBondContact O-N 2.58Å; L77-F84 HydrophobicContact CD2-CE2 4.5Å
78C89.3Confident85.6Confident0 Ų051.7 Ų51.70%026%0.263CS..EExtended strand (participates in β ladder)trans-107.2130-174.9-54.50000110.7C28 Y29 I68 C69C28-C78 CarbonylContact C-O 3.53Å; C28-C78 WeakPolarHBondContact CA-O 3.26Å; Y29-C78 HydrophobicContact CD1-CB 3.98Å; Y29-C78 HydrophobicContact CD2-CB 4.31Å; Y29-C78 HydrophobicContact CE1-CB 3.51Å; Y29-C78 HydrophobicContact CE2-CB 3.87Å; Y29-C78 HydrophobicContact CG-CB 4.36Å; Y29-C78 VanDerWaalsContact CZ-CB 3.45Å; Y29-C78 PolarHBondContact N-O 3.49Å; Y29-C78 PolarHBondContact O-N 3.26Å; I68-C78 CarbonylContact O-C 3.46Å; I68-C78 VanDerWaalsContact O-CA 3.26Å; I68-C78 WeakPolarHBondContact O-CA 3.25Å; C69-C78 HydrophobicContact CB-CB 4.1Å; C69-C78 WeakPolarHBondContact CB-SG 3.47Å; C69-C78 WeakPolarHBondContact SG-CB 3.33Å; C69-C78 CovalentContact SG-SG 2.03Å; C69-C78 PolarHBondContact SG-SG 2.99Å
79C89.6Confident85Confident5 Ų555.7 Ų55.73%0.03428%0.284CS..EExtended strand (participates in β ladder)trans-141.4162.4177.7-59.40000110.8C28 M67 I68 V83 F84C28-C79 HydrophobicContact CB-CB 4.1Å; C28-C79 WeakPolarHBondContact CB-SG 3.02Å; C28-C79 WeakPolarHBondContact SG-CB 3.29Å; C28-C79 CovalentContact SG-SG 2.03Å; C28-C79 PolarHBondContact SG-SG 2.9Å; M67-C79 WeakPolarHBondContact CA-O 2.99Å; I68-C79 PolarHBondContact N-O 2.82Å; I68-C79 PolarHBondContact O-N 2.99Å; C79-V83 HydrophobicContact CB-CG1 4.47Å; C79-F84 HydrophobicContact CB-CB 4.06Å; C79-F84 HydrophobicContact CB-CD2 3.82Å; C79-F84 HydrophobicContact CB-CG 4.45Å
80P88.7Confident84.1Confident8 Ų856.1 Ų56.15%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-56.3141.6166.3-17.826.3000110.9L26 E66 M67 D82 V83 F84L26-P80 HydrophobicContact CB-CG 4.01Å; L26-P80 WeakPolarHBondContact O-CG 3.22Å; E66-P80 CarbonylContact O-C 3.6Å; E66-P80 WeakPolarHBondContact O-CA 3.19Å; M67-P80 HydrophobicContact SD-CB 4.26Å; M67-P80 HydrophobicContact SD-CG 4.06Å; M67-P80 VanDerWaalsContact SD-N 3.44Å; P80-D82 WeakPolarHBondContact CB-OD1 3.11Å; P80-D82 PolarHBondContact O-N 2Å; P80-V83 HydrophobicContact CB-CB 4.27Å; P80-V83 HydrophobicContact CB-CG2 3.99Å; P80-V83 HydrophobicContact CG-CB 4.28Å; P80-V83 HydrophobicContact CG-CG2 3.87Å; P80-V83 WeakPolarHBondContact O-CB 3.04Å; P80-V83 PolarHBondContact O-N 3.4Å; P80-F84 PolarHBondContact O-N 2.8Å
81K85.9Confident83.2Confident65 Ų6558.9 Ų58.928%0.28330%0.301SS..Hα-helixtrans-54.4-34.4-175.175.6165-168.8172.20113.8W60 E66 I68 F85 S90W60-K81 HydrophobicContact CH2-CB 4.48Å; W60-K81 HydrophobicContact CH2-CD 4.4Å; W60-K81 HydrophobicContact CZ3-CB 4.29Å; E66-K81 PolarHBondContact O-N 3.2Å; I68-K81 HydrophobicContact CD1-CB 3.58Å; I68-K81 HydrophobicContact CG1-CB 4.14Å; K81-F85 PolarHBondContact O-N 3.01Å; K81-S90 WeakPolarHBondContact CD-O 3.45Å; K81-S90 WeakPolarHBondContact CE-O 3.5Å; K81-S90 PolarHBondContact NZ-O 3.01Å; K81-S90 WeakPolarHBondContact O-CB 3.45Å
82D82.9Confident82.6Confident43 Ų4363 Ų6323%0.2333%0.326CS..Hα-helixtrans-84.8-19.5-17667.1-28.9000113.2R25 P80 G86R25-D82 IonicContact CZ-OD2 3.21Å; R25-D82 IonicContact NH1-OD1 2.76Å; R25-D82 IonicContact NH1-OD2 2.97Å; R25-D82 PolarHBondContact NH1-OD2 2.95Å; R25-D82 IonicContact NH2-OD2 3.12Å; R25-D82 PolarHBondContact NH2-OD2 2.99Å; P80-D82 WeakPolarHBondContact CB-OD1 3.11Å; P80-D82 PolarHBondContact O-N 2Å; D82-G86 CarbonylContact O-C 3.47Å; D82-G86 WeakPolarHBondContact O-CA 3.34Å; D82-G86 PolarHBondContact O-N 3.05Å
83V84.6Confident82Confident75 Ų7559.4 Ų59.446%0.45531%0.307SS..Hα-helixtrans-78.5-42.9165.91770000110.1C79 P80C79-V83 HydrophobicContact CB-CG1 4.47Å; P80-V83 HydrophobicContact CB-CB 4.27Å; P80-V83 HydrophobicContact CB-CG2 3.99Å; P80-V83 HydrophobicContact CG-CB 4.28Å; P80-V83 HydrophobicContact CG-CG2 3.87Å; P80-V83 WeakPolarHBondContact O-CB 3.04Å; P80-V83 PolarHBondContact O-N 3.4Å
84F83.6Confident81.5Confident57 Ų5756.4 Ų56.425%0.2530%0.3CS..Hα-helixtrans-68.3-51.6-175.1-158.9-83.4000112.5H58 Y70 L77 C79 P80H58-F84 AromaticContact CD2-CE1 3.53Å; H58-F84 AromaticContact CD2-CZ 3.97Å; H58-F84 AromaticContact NE2-CE1 3.29Å; H58-F84 VanDerWaalsContact NE2-CE1 3.29Å; H58-F84 WeakPolarHBondContact NE2-CE1 3.41Å; H58-F84 AromaticContact NE2-CZ 3.7Å; Y70-F84 HydrophobicContact CG-CZ 4.49Å; L77-F84 HydrophobicContact CD2-CE2 4.5Å; C79-F84 HydrophobicContact CB-CB 4.06Å; C79-F84 HydrophobicContact CB-CD2 3.82Å; C79-F84 HydrophobicContact CB-CG 4.45Å; P80-F84 PolarHBondContact O-N 2.8Å
85F79.1Confident81Confident45 Ų4557.1 Ų57.120%0.19730%0.304CS..SBendtrans-97.1-10.4-176.6-73.8-73.8000113.7V55 H58 I68 K81 I89 I93V55-F85 HydrophobicContact CG1-CZ 4.43Å; H58-F85 AromaticContact CD2-CZ 3.84Å; I68-F85 HydrophobicContact CD1-CD2 3.69Å; I68-F85 HydrophobicContact CD1-CE2 3.38Å; I68-F85 HydrophobicContact CG1-CE2 4.49Å; I68-F85 HydrophobicContact CG2-CE2 4.05Å; K81-F85 PolarHBondContact O-N 3.01Å; F85-I89 HydrophobicContact CB-CB 3.91Å; F85-I89 HydrophobicContact CB-CG2 3.9Å; F85-I89 HydrophobicContact CD1-CG2 3.77Å; F85-I89 HydrophobicContact CG-CG2 4.08Å; F85-I93 HydrophobicContact CD1-CD1 4.09Å; F85-I93 HydrophobicContact CD2-CD1 4.02Å; F85-I93 HydrophobicContact CD2-CG1 3.97Å; F85-I93 HydrophobicContact CE1-CD1 3.99Å; F85-I93 HydrophobicContact CE2-CD1 3.93Å; F85-I93 HydrophobicContact CE2-CG1 4.18Å; F85-I93 HydrophobicContact CG-CD1 4.11Å; F85-I93 HydrophobicContact CG-CG1 4.28Å; F85-I93 HydrophobicContact CZ-CD1 3.91Å
86G76.6Confident80.1Confident20 Ų2060.5 Ų60.521%0.20632%0.324CS..  trans73.5166.9-168.100000112.9D82 K88 I89 S90D82-G86 CarbonylContact O-C 3.47Å; D82-G86 WeakPolarHBondContact O-CA 3.34Å; D82-G86 PolarHBondContact O-N 3.05Å; G86-K88 PolarHBondContact O-N 2.94Å; G86-K88 VanDerWaalsContact O-N 3.14Å; G86-I89 PolarHBondContact O-N 2.83Å; G86-S90 VanDerWaalsContact O-CB 3.31Å; G86-S90 WeakPolarHBondContact O-CB 3.31Å; G86-S90 PolarHBondContact O-N 2.59Å; G86-S90 VanDerWaalsContact O-N 3.08Å; G86-S90 PolarHBondContact O-OG 2.96Å
87P73.9Confident78.7Confident109 Ų10966.8 Ų66.871%0.70836%0.356SS*.THydrogen-bonded Turntrans-67.4-17.8-171.525.8-34.7000114.3
88K76.8Confident76.9Confident177 Ų17774 Ų7477%0.7739%0.387SS*.THydrogen-bonded Turntrans-87.1-19.2-178.6-69.4-172.9179.4-178.70114.3G86 F91G86-K88 PolarHBondContact O-N 2.94Å; G86-K88 VanDerWaalsContact O-N 3.14Å; K88-F91 VanDerWaalsContact C-CE1 3.46Å; K88-F91 WeakPolarHBondContact O-CD1 2.96Å; K88-F91 WeakPolarHBondContact O-CE1 2.98Å
89I75.6Confident76.3Confident84 Ų8477.7 Ų77.743%0.43141%0.407SS..THydrogen-bonded Turntrans-114.7-30.6-175.8-60.9173.8000109.7F85 G86 F91 V92 I93F85-I89 HydrophobicContact CB-CB 3.91Å; F85-I89 HydrophobicContact CB-CG2 3.9Å; F85-I89 HydrophobicContact CD1-CG2 3.77Å; F85-I89 HydrophobicContact CG-CG2 4.08Å; G86-I89 PolarHBondContact O-N 2.83Å; I89-F91 PolarHBondContact O-N 2.61Å; I89-V92 HydrophobicContact CG2-CG2 4.26Å; I89-V92 WeakPolarHBondContact O-CG2 3.38Å; I89-V92 PolarHBondContact O-N 3.41Å; I89-I93 HydrophobicContact CG2-CD1 4.11Å
90S71.3Confident75.6Confident9 Ų981.5 Ų81.56%0.06343%0.426CS..THydrogen-bonded Turntrans-58.6-21-178.866.60000115.5K81 G86K81-S90 WeakPolarHBondContact CD-O 3.45Å; K81-S90 WeakPolarHBondContact CE-O 3.5Å; K81-S90 PolarHBondContact NZ-O 3.01Å; K81-S90 WeakPolarHBondContact O-CB 3.45Å; G86-S90 VanDerWaalsContact O-CB 3.31Å; G86-S90 WeakPolarHBondContact O-CB 3.31Å; G86-S90 PolarHBondContact O-N 2.59Å; G86-S90 VanDerWaalsContact O-N 3.08Å; G86-S90 PolarHBondContact O-OG 2.96Å
91F69.9Low74.9Confident146 Ų14685.6 Ų85.664%0.6445%0.447SS*.THydrogen-bonded Turntrans-83.7-21.2177.773-97.4000114.2K88 I89K88-F91 VanDerWaalsContact C-CE1 3.46Å; K88-F91 WeakPolarHBondContact O-CD1 2.96Å; K88-F91 WeakPolarHBondContact O-CE1 2.98Å; I89-F91 PolarHBondContact O-N 2.61Å
92V76.4Confident74.2Confident89 Ų8986.8 Ų86.854%0.53946%0.457SS..THydrogen-bonded Turntrans-92.9-12179.3-62.50000113.2I89 P94I89-V92 HydrophobicContact CG2-CG2 4.26Å; I89-V92 WeakPolarHBondContact O-CG2 3.38Å; I89-V92 PolarHBondContact O-N 3.41Å; V92-P94 WeakPolarHBondContact O-CD 3.26Å
93I75.6Confident73.7Confident17 Ų1789.6 Ų89.69%0.08747%0.471CS..SBendtrans-65.3119.2178.4-54.1-67.9000108.5I51 W60 I68 F85 I89 C95I51-I93 HydrophobicContact CD1-CG2 4.32Å; I51-I93 HydrophobicContact CG2-CG2 3.39Å; W60-I93 HydrophobicContact CH2-CB 4.5Å; W60-I93 HydrophobicContact CH2-CG2 3.89Å; W60-I93 HydrophobicContact CZ2-CB 4.44Å; W60-I93 HydrophobicContact CZ2-CG2 3.53Å; I68-I93 HydrophobicContact CD1-CG2 4.36Å; F85-I93 HydrophobicContact CD1-CD1 4.09Å; F85-I93 HydrophobicContact CD2-CD1 4.02Å; F85-I93 HydrophobicContact CD2-CG1 3.97Å; F85-I93 HydrophobicContact CE1-CD1 3.99Å; F85-I93 HydrophobicContact CE2-CD1 3.93Å; F85-I93 HydrophobicContact CE2-CG1 4.18Å; F85-I93 HydrophobicContact CG-CD1 4.11Å; F85-I93 HydrophobicContact CG-CG1 4.28Å; F85-I93 HydrophobicContact CZ-CD1 3.91Å; I89-I93 HydrophobicContact CG2-CD1 4.11Å; I93-C95 PolarHBondContact O-N 2.98Å
94P76.2Confident72.9Confident62 Ų6290.5 Ų90.540%0.40347%0.472SS..  trans-64.1135.5-177.525.2-32.4000110.6I51 D52 W60 V92I51-P94 HydrophobicContact CG2-CG 4.41Å; D52-P94 HydrophobicContact CB-CG 4.09Å; W60-P94 WeakPolarHBondContact CZ2-O 3.31Å; W60-P94 PolarHBondContact NE1-O 3.29Å; V92-P94 WeakPolarHBondContact O-CD 3.26Å
95C76.9Confident72.2Confident56 Ų5692.9 Ų92.938%0.37849%0.488SS..  trans-11999.3175.5176.30000108.2C65 I93C65-C95 HydrophobicContact CB-CB 3.53Å; C65-C95 WeakPolarHBondContact CB-SG 3.22Å; C65-C95 WeakPolarHBondContact SG-CA 3.46Å; C65-C95 WeakPolarHBondContact SG-CB 3.14Å; C65-C95 CovalentContact SG-SG 2Å; C65-C95 PolarHBondContact SG-SG 3.38Å; I93-C95 PolarHBondContact O-N 2.98Å
96N68Low71.7Confident122 Ų12296.6 Ų96.665%0.65251%0.51SS*.  trans-97.791.7176.7-151.84.6000108.8H98N96-H98 PolarHBondContact O-N 2.79Å
97I61Low71.2Confident134 Ų134103 Ų10369%0.68754%0.536SS*.  trans-82.486.4173.24.9173.9000106.8
98H53.1Low71Confident231 Ų231102.5 Ų102.5100%1.06952%0.52SS*.  trans-87.70170.2-105.1-54.8000111.4N96N96-H98 PolarHBondContact O-N 2.79Å

Retrieved 98 of 98 residues in 241 ms (Link to these results)