A0A096N8Z6_PAPAN Loading...

C-C motif chemokine

AlphaFold DB , UniProt , Accession A0A096N8Z6, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 96 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
1M52.1Low68.3Low195 Ų195103.5 Ų103.596%0.96161%0.607SS**  01.80-128.2109.87900115.2
2C54.8Low69.6Low108 Ų108104.7 Ų104.773%0.7361%0.608SS**  trans-87.9-42.2176-89.60000112.9S4 K5 S6C2-S4 PolarHBondContact O-N 3.41Å; C2-K5 PolarHBondContact O-N 3.37Å; C2-S6 PolarHBondContact O-N 3.45Å; C2-S6 VanDerWaalsContact O-N 3.15Å
3C57.4Low70.6Confident97 Ų97105.2 Ų105.266%0.65560%0.603SS**Hα-helixtrans-68.9-37.9-172.6-51.70000112.5S6 L7C3-S6 PolarHBondContact O-N 3.02Å; C3-L7 WeakPolarHBondContact O-CB 3.45Å; C3-L7 WeakPolarHBondContact O-CD1 3.33Å; C3-L7 WeakPolarHBondContact O-CG 3.49Å; C3-L7 PolarHBondContact O-N 2.98Å
4S59.8Low71.3Confident63 Ų63101.9 Ų101.944%0.44159%0.59SS.*Hα-helixtrans-65.5-41.9178.552.60000112.7C2 L7 L8C2-S4 PolarHBondContact O-N 3.41Å; S4-L7 PolarHBondContact O-N 3.07Å; S4-L8 VanDerWaalsContact O-CG 3.24Å; S4-L8 WeakPolarHBondContact O-CG 3.49Å; S4-L8 PolarHBondContact O-N 3.27Å
5K60.3Low72.1Confident133 Ų133101.3 Ų101.358%0.57859%0.588SS**Hα-helixtrans-66.2-39.4176.8-64.3-176.3178.4-172.60111.7C2 L8 L9C2-K5 PolarHBondContact O-N 3.37Å; K5-L8 PolarHBondContact O-N 3.33Å; K5-L9 VanDerWaalsContact O-CG 3.27Å; K5-L9 WeakPolarHBondContact O-CG 3.35Å; K5-L9 PolarHBondContact O-N 3.23Å
6S70.8Confident72.5Confident80 Ų80100.7 Ų100.756%0.55958%0.581SS**Hα-helixtrans-65.4-41.6176.3-159.90000112C2 C3 L9 A10C2-S6 PolarHBondContact O-N 3.45Å; C2-S6 VanDerWaalsContact O-N 3.15Å; C3-S6 PolarHBondContact O-N 3.02Å; S6-L9 PolarHBondContact O-N 3.27Å; S6-A10 WeakPolarHBondContact O-CB 3.33Å; S6-A10 PolarHBondContact O-N 3.09Å
7L73.5Confident72.8Confident125 Ų125100.9 Ų100.965%0.65458%0.579SS**Hα-helixtrans-64.5-40.9175.2-78.8157000112.5C3 S4 A10 A11C3-L7 WeakPolarHBondContact O-CB 3.45Å; C3-L7 WeakPolarHBondContact O-CD1 3.33Å; C3-L7 WeakPolarHBondContact O-CG 3.49Å; C3-L7 PolarHBondContact O-N 2.98Å; S4-L7 PolarHBondContact O-N 3.07Å; L7-A10 PolarHBondContact O-N 3.4Å; L7-A11 WeakPolarHBondContact O-CB 3.42Å; L7-A11 PolarHBondContact O-N 2.95Å
8L77.2Confident72.8Confident114 Ų114102.5 Ų102.560%0.59759%0.585SS**Hα-helixtrans-65.9-41.5176.5-70.9171.2000111.8S4 K5 A11 L12S4-L8 VanDerWaalsContact O-CG 3.24Å; S4-L8 WeakPolarHBondContact O-CG 3.49Å; S4-L8 PolarHBondContact O-N 3.27Å; K5-L8 PolarHBondContact O-N 3.33Å; L8-A11 PolarHBondContact O-N 3.26Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.23Å; L8-L12 PolarHBondContact O-N 2.96Å
9L79.9Confident72.8Confident113 Ų113106.7 Ų106.759%0.59259%0.592SS**Hα-helixtrans-64.1-42.6176-72.3169.5000111.7K5 S6 A11 L12 M13K5-L9 VanDerWaalsContact O-CG 3.27Å; K5-L9 WeakPolarHBondContact O-CG 3.35Å; K5-L9 PolarHBondContact O-N 3.23Å; S6-L9 PolarHBondContact O-N 3.27Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 3.26Å; L9-L12 PolarHBondContact O-N 3.18Å; L9-M13 VanDerWaalsContact O-CG 3.31Å; L9-M13 WeakPolarHBondContact O-CG 3.23Å; L9-M13 PolarHBondContact O-N 2.93Å
10A81.5Confident72.6Confident60 Ų60108 Ų10850%0.49660%0.596SS.*Hα-helixtrans-62.4-41176.600000112.2S6 L7 M13 S14S6-A10 WeakPolarHBondContact O-CB 3.33Å; S6-A10 PolarHBondContact O-N 3.09Å; L7-A10 PolarHBondContact O-N 3.4Å; A10-M13 PolarHBondContact O-N 3Å; A10-S14 PolarHBondContact O-N 2.91Å; A10-S14 PolarHBondContact O-OG 3.34Å
11A84.4Confident72Confident50 Ų50107.4 Ų107.441%0.41360%0.599SS.*Hα-helixtrans-67.1-37.6176.800000112.7L7 L8 L9 S14 V15L7-A11 WeakPolarHBondContact O-CB 3.42Å; L7-A11 PolarHBondContact O-N 2.95Å; L8-A11 PolarHBondContact O-N 3.26Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 3.26Å; A11-S14 PolarHBondContact O-OG 3.12Å; A11-V15 VanDerWaalsContact O-CG2 3.3Å; A11-V15 WeakPolarHBondContact O-CG2 3.44Å; A11-V15 PolarHBondContact O-N 3.07Å; A11-V15 VanDerWaalsContact O-N 3.11Å
12L83.4Confident72.4Confident118 Ų118101.6 Ų101.662%0.61858%0.578SS**Hα-helixtrans-67.1-40.3175.9-71.9169.8000111.7L8 L9 V15 L16L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.23Å; L8-L12 PolarHBondContact O-N 2.96Å; L9-L12 PolarHBondContact O-N 3.18Å; L12-V15 PolarHBondContact O-N 3.19Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.03Å
13M82.1Confident72.3Confident111 Ų111104.7 Ų104.755%0.54758%0.581SS.*Hα-helixtrans-66.9-39177.4-69.3-58.6-66.100112.3L9 A10 L16 L17L9-M13 VanDerWaalsContact O-CG 3.31Å; L9-M13 WeakPolarHBondContact O-CG 3.23Å; L9-M13 PolarHBondContact O-N 2.93Å; A10-M13 PolarHBondContact O-N 3Å; M13-L16 PolarHBondContact O-N 3.4Å; M13-L17 WeakPolarHBondContact O-CB 3.36Å; M13-L17 WeakPolarHBondContact O-CD1 3.38Å; M13-L17 PolarHBondContact O-N 3.12Å
14S81.6Confident72.2Confident59 Ų59104.7 Ų104.741%0.41358%0.582SS.*Hα-helixtrans-67.4-39.3176.763.90000112.3A10 A11 L17 L18A10-S14 PolarHBondContact O-N 2.91Å; A10-S14 PolarHBondContact O-OG 3.34Å; A11-S14 PolarHBondContact O-OG 3.12Å; S14-L17 PolarHBondContact O-N 3.16Å; S14-L18 VanDerWaalsContact O-CG 3.31Å; S14-L18 WeakPolarHBondContact O-CG 3.5Å; S14-L18 PolarHBondContact O-N 3.31Å
15V82.3Confident71.6Confident94 Ų94110.9 Ų110.957%0.5760%0.604SS**Hα-helixtrans-64-41.2173.6171.50000111.2A11 L12 L18 Y19A11-V15 VanDerWaalsContact O-CG2 3.3Å; A11-V15 WeakPolarHBondContact O-CG2 3.44Å; A11-V15 PolarHBondContact O-N 3.07Å; A11-V15 VanDerWaalsContact O-N 3.11Å; L12-V15 PolarHBondContact O-N 3.19Å; V15-L18 PolarHBondContact O-N 3.07Å; V15-Y19 WeakPolarHBondContact O-CB 3.45Å; V15-Y19 PolarHBondContact O-N 3.02Å
16L79.4Confident71Confident91 Ų91108.6 Ų108.648%0.47661%0.611SS.*Hα-helixtrans-64.1-41.4176-174.565.4000111.9L12 M13 Y19 L20L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.03Å; M13-L16 PolarHBondContact O-N 3.4Å; L16-Y19 PolarHBondContact O-N 3.35Å; L16-L20 HydrophobicContact CG-CD1 4.26Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 2.83Å
17L76.8Confident69.8Low105 Ų105109 Ų10955%0.5562%0.619SS.*Hα-helixtrans-62.7-41.6174-92.3148.2000112.2M13 S14 Y19 L20 C21M13-L17 WeakPolarHBondContact O-CB 3.36Å; M13-L17 WeakPolarHBondContact O-CD1 3.38Å; M13-L17 PolarHBondContact O-N 3.12Å; S14-L17 PolarHBondContact O-N 3.16Å; L17-Y19 VanDerWaalsContact C-N 3.32Å; L17-L20 PolarHBondContact O-N 3.4Å; L17-C21 VanDerWaalsContact O-CB 3.29Å; L17-C21 WeakPolarHBondContact O-CB 3.28Å; L17-C21 PolarHBondContact O-N 3.41Å
18L73.1Confident68.4Low129 Ų129107.2 Ų107.268%0.67562%0.616SS**Hα-helixtrans-66.3-34.6175.3-71169.7000112.2S14 V15 C21 S22S14-L18 VanDerWaalsContact O-CG 3.31Å; S14-L18 WeakPolarHBondContact O-CG 3.5Å; S14-L18 PolarHBondContact O-N 3.31Å; V15-L18 PolarHBondContact O-N 3.07Å; L18-C21 PolarHBondContact O-N 3.34Å; L18-S22 PolarHBondContact O-N 3.22Å; L18-S22 VanDerWaalsContact O-N 3.15Å
19Y73.2Confident67Low183 Ų183108.5 Ų108.572%0.71862%0.624SS**Hα-helixtrans-70.8-32.6173.9-162.8-93.9000112.7V15 L16 L17 S22V15-Y19 WeakPolarHBondContact O-CB 3.45Å; V15-Y19 PolarHBondContact O-N 3.02Å; L16-Y19 PolarHBondContact O-N 3.35Å; L17-Y19 VanDerWaalsContact C-N 3.32Å; Y19-S22 PolarHBondContact O-OG 3.47Å
20L68.4Low65.9Low131 Ų131110.6 Ų110.669%0.68663%0.629SS**Hα-helixtrans-78.8-27.4174.3-68.5169.4000112.5L16 L17L16-L20 HydrophobicContact CG-CD1 4.26Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 2.83Å; L17-L20 PolarHBondContact O-N 3.4Å
21C60.4Low65.9Low97 Ų97115 Ų11566%0.65564%0.644SS**SBendtrans-86-0.5175.1-820000113.9L17 L18 E23L17-C21 VanDerWaalsContact O-CB 3.29Å; L17-C21 WeakPolarHBondContact O-CB 3.28Å; L17-C21 PolarHBondContact O-N 3.41Å; L18-C21 PolarHBondContact O-N 3.34Å; C21-E23 PolarHBondContact O-N 2.79Å
22S60Low66.3Low73 Ų73113.7 Ų113.751%0.5163%0.632SS.*SBendtrans-68.688.2158.961.60000106.4L18 Y19 S24L18-S22 PolarHBondContact O-N 3.22Å; L18-S22 VanDerWaalsContact O-N 3.15Å; Y19-S22 PolarHBondContact O-OG 3.47Å; S22-S24 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 2.9Å
23E53.8Low66.9Low172 Ų172108.2 Ų108.280%0.80460%0.603SS**  trans-41.6109158.4-84.5-90.2117.600105.7C21 E25C21-E23 PolarHBondContact O-N 2.79Å; E23-E25 VanDerWaalsContact C-N 3.31Å; E23-E25 PolarHBondContact O-N 2.78Å
24S53.8Low67.4Low97 Ų97109.2 Ų109.268%0.67861%0.61SS**  trans-64109.6161.432.70000103.6S22 A26S22-S24 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 2.9Å; S24-A26 PolarHBondContact O-N 2.96Å
25E47.2Very low68Low193 Ų193116.6 Ų116.690%0.90263%0.629SS**  trans-65.648.7156.4-68176.4129.100108.5E23 A27E23-E25 VanDerWaalsContact C-N 3.31Å; E23-E25 PolarHBondContact O-N 2.78Å; E25-A27 PolarHBondContact O-N 2.84Å
26A48.6Very low68.7Low86 Ų86115.7 Ų115.771%0.71162%0.616SS**  trans-84.162170.200000107.6S24S24-A26 PolarHBondContact O-N 2.96Å
27A45.3Very low69.5Low88 Ų88112.8 Ų112.873%0.72760%0.602SS**  trans-134.642.316500000110.3E25E25-A27 PolarHBondContact O-N 2.84Å
28S44.7Very low70.3Confident87 Ų87115.1 Ų115.161%0.60862%0.615SS**  trans-90.744.5149.9176.40000109.5F30S28-F30 PolarHBondContact O-N 3.07Å
29N47.4Very low71.2Confident142 Ų142118.5 Ų118.576%0.75962%0.618SS**  trans-66111.5145.9-96.7-2000103.7D31N29-D31 PolarHBondContact O-N 3.13Å
30F56.3Low72.2Confident156 Ų156115.9 Ų115.968%0.68462%0.616SS**  trans-56.3103.2163.7-69.3-84000105.6S28 C32S28-F30 PolarHBondContact O-N 3.07Å; F30-C32 PolarHBondContact O-N 3Å
31D82.3Confident73.3Confident153 Ų153111.2 Ų111.282%0.81859%0.591SS**  trans-74.280.1-174.9-137.214.6000106.6N29N29-D31 PolarHBondContact O-N 3.13Å
32C92.9Very high74.8Confident23 Ų23112.4 Ų112.416%0.15559%0.587CS.*  trans-62.7139.7-176.6-66.40000108.4F30 L34 T57 C58F30-C32 PolarHBondContact O-N 3Å; C32-L34 PolarHBondContact O-N 2.85Å; C32-L34 VanDerWaalsContact O-N 3.1Å; C32-T57 PolarHBondContact SG-O 2.98Å; C32-C58 HydrophobicContact CB-CB 3.8Å; C32-C58 WeakPolarHBondContact CB-SG 3.44Å; C32-C58 WeakPolarHBondContact SG-CA 3.39Å; C32-C58 WeakPolarHBondContact SG-CB 3.13Å; C32-C58 CovalentContact SG-SG 2.04Å; C32-C58 PolarHBondContact SG-SG 3.03Å
33C95Very high76.3Confident2 Ų2110.6 Ų110.61%0.01457%0.573CS.*  trans-59.9119.5163.7-68.50000109.1Q52 I60 A62 I64 C74C33-Q52 PolarHBondContact O-NE2 2.88Å; C33-I60 HydrophobicContact CB-CD1 4.47Å; C33-I60 WeakPolarHBondContact O-CD1 3.02Å; C33-I60 WeakPolarHBondContact O-CG1 3.17Å; C33-A62 HydrophobicContact CB-CB 3.58Å; C33-I64 VanDerWaalsContact SG-CG1 3.55Å; C33-C74 VanDerWaalsContact CA-SG 3.5Å; C33-C74 HydrophobicContact CB-CB 3.65Å; C33-C74 WeakPolarHBondContact CB-SG 3.41Å; C33-C74 WeakPolarHBondContact SG-CB 3.42Å; C33-C74 CovalentContact SG-SG 2.03Å; C33-C74 PolarHBondContact SG-SG 3Å
34L93.8Very high78.2Confident133 Ų133109.4 Ų109.470%0.69657%0.565SS**  trans-100-18.8172-57.7179.3000112C32C32-L34 PolarHBondContact O-N 2.85Å; C32-L34 VanDerWaalsContact O-N 3.1Å
35R93.9Very high80.1Confident214 Ų214110.7 Ų110.781%0.80856%0.559SS**SBendtrans-143.8157.8-179.4-73.8-172.6155179.1-6.6111.4C74R35-C74 WeakPolarHBondContact O-CB 3.49Å
36Y97.3Very high82.4Confident74 Ų74102 Ų10229%0.2952%0.519SS..  trans-98.3152.2174-52.9-50.8000110.9I60 N61 A62 C74 N76Y36-I60 HydrophobicContact CD1-CD1 4.41Å; Y36-I60 HydrophobicContact CE1-CD1 3.75Å; Y36-I60 HydrophobicContact CE1-CG1 4.49Å; Y36-N61 VanDerWaalsContact CE1-O 3.31Å; Y36-N61 WeakPolarHBondContact CE1-O 3.43Å; Y36-N61 PolarHBondContact OH-O 2.95Å; Y36-A62 HydrophobicContact CE1-CB 4.02Å; Y36-C74 CarbonylContact C-O 3.46Å; Y36-N76 HydrophobicContact CD1-CB 4.07Å; Y36-N76 HydrophobicContact CD2-CB 3.55Å; Y36-N76 HydrophobicContact CE1-CB 4.36Å; Y36-N76 HydrophobicContact CE2-CB 3.87Å; Y36-N76 HydrophobicContact CG-CB 3.64Å
37T95.1Very high84.6Confident30 Ų30102.1 Ų102.118%0.18451%0.511CS..  trans-71137.6165.2-166.10000110.4R39 V73 C74 A75 W81T37-R39 VanDerWaalsContact C-N 3.31Å; T37-R39 WeakPolarHBondContact CG2-O 3.38Å; T37-R39 PolarHBondContact OG1-N 2.99Å; T37-V73 HydrophobicContact CG2-CG1 3.63Å; T37-C74 WeakPolarHBondContact CG2-O 3.16Å; T37-C74 PolarHBondContact N-O 2.85Å; T37-A75 HydrophobicContact CG2-CB 4.39Å; T37-W81 HydrophobicContact CG2-CH2 4.36Å; T37-W81 HydrophobicContact CG2-CZ2 4.35Å
38D93.1Very high87Confident154 Ų15498.7 Ų98.782%0.82448%0.484SS*.  trans-85.7-9.4169.4-58.7-49000112.1
39R93.3Very high89.4Confident200 Ų20096.7 Ų96.776%0.75546%0.464SS*.SBendtrans-89.7130.6-176.6-61.8-172.5-176.4-174.42110.9T37 L41T37-R39 VanDerWaalsContact C-N 3.31Å; T37-R39 WeakPolarHBondContact CG2-O 3.38Å; T37-R39 PolarHBondContact OG1-N 2.99Å; R39-L41 PolarHBondContact O-N 3.31Å
40I93.3Very high91.7Very high129 Ų12993.2 Ų93.266%0.66245%0.448SS*.PPolyproline II helixtrans-71.6121.7170.8-59.5175.9000108.7W81I40-W81 HydrophobicContact CG1-CG 4.45Å; I40-W81 HydrophobicContact CG2-CD2 4.18Å; I40-W81 HydrophobicContact CG2-CE3 4.42Å; I40-W81 HydrophobicContact CG2-CG 4.23Å
41L92.4Very high93.6Very high33 Ų3392 Ų9217%0.17345%0.445CS..PPolyproline II helixtrans-86.7130.7177.2-61.6175.1000110.6R39 I46 F65 V73 W81 I85R39-L41 PolarHBondContact O-N 3.31Å; L41-I46 HydrophobicContact CB-CD1 3.86Å; L41-I46 HydrophobicContact CB-CG1 4.43Å; L41-I46 HydrophobicContact CD1-CD1 4.34Å; L41-F65 HydrophobicContact CD1-CB 3.99Å; L41-F65 HydrophobicContact CD1-CD2 3.84Å; L41-F65 HydrophobicContact CD1-CG 4.26Å; L41-V73 HydrophobicContact CD1-CB 3.85Å; L41-V73 HydrophobicContact CD1-CG1 3.84Å; L41-V73 HydrophobicContact CD1-CG2 4.25Å; L41-W81 HydrophobicContact CB-CH2 4.31Å; L41-W81 HydrophobicContact CB-CZ3 4.02Å; L41-W81 HydrophobicContact CD1-CH2 4.34Å; L41-W81 HydrophobicContact CG-CH2 4.18Å; L41-W81 HydrophobicContact CG-CZ3 4.37Å; L41-I85 WeakPolarHBondContact O-CD1 3.41Å
42H91.9Very high94.2Very high121 Ų12185.7 Ų85.756%0.5641%0.41SS*.PPolyproline II helixtrans-73.9129.3175.8-159.5-100.6000110.4K44 F45H42-K44 PolarHBondContact O-N 3.23Å; H42-F45 HydrophobicContact CB-CD2 3.76Å; H42-F45 HydrophobicContact CB-CE2 3.88Å; H42-F45 PolarHBondContact O-N 3.41Å
43P91.4Very high94.3Very high35 Ų3590.2 Ų90.223%0.22743%0.432CS..G310 helixtrans-56.8-26.1-173.1-24.330.6000114.8F45 I46 I85P43-F45 PolarHBondContact O-N 3.01Å; P43-I46 PolarHBondContact O-N 2.65Å; P43-I85 HydrophobicContact CG-CD1 3.95Å; P43-I85 HydrophobicContact CG-CG1 3.98Å
44K92.4Very high94.2Very high147 Ų14792.3 Ų92.364%0.63945%0.45SS*.G310 helixtrans-60.9-23.8178.7-173.6175.4178.8-179.10113.3H42 K68H42-K44 PolarHBondContact O-N 3.23Å; K44-K68 VanDerWaalsContact O-CE 3.23Å; K44-K68 WeakPolarHBondContact O-CE 3.12Å; K44-K68 PolarHBondContact O-NZ 2.04Å
45F94.2Very high94.1Very high124 Ų12490.5 Ų90.554%0.54444%0.441SS..G310 helixtrans-95-7.3-178.7-57.3-58.1000113.6H42 P43 T67 K68H42-F45 HydrophobicContact CB-CD2 3.76Å; H42-F45 HydrophobicContact CB-CE2 3.88Å; H42-F45 PolarHBondContact O-N 3.41Å; P43-F45 PolarHBondContact O-N 3.01Å; F45-T67 CarbonylContact O-C 3.48Å; F45-T67 WeakPolarHBondContact O-CA 3.36Å; F45-T67 WeakPolarHBondContact O-CB 3.14Å; F45-K68 PolarHBondContact O-N 3.49Å
46I96Very high93.9Very high11 Ų1190 Ų906%0.05645%0.447CS..EExtended strand (participates in β ladder)trans-99.9129.9-176.2-56.4170.6000108.6L41 P43 G48 F65 H66 I85 L89L41-I46 HydrophobicContact CB-CD1 3.86Å; L41-I46 HydrophobicContact CB-CG1 4.43Å; L41-I46 HydrophobicContact CD1-CD1 4.34Å; P43-I46 PolarHBondContact O-N 2.65Å; I46-G48 VanDerWaalsContact CG2-O 3.3Å; I46-G48 WeakPolarHBondContact CG2-O 3.05Å; I46-F65 HydrophobicContact CD1-CB 4.36Å; I46-F65 HydrophobicContact CD1-CD1 4.03Å; I46-F65 HydrophobicContact CD1-CD2 4.37Å; I46-F65 HydrophobicContact CD1-CE1 4.43Å; I46-F65 HydrophobicContact CD1-CG 4Å; I46-F65 HydrophobicContact CG1-CB 4.45Å; I46-F65 HydrophobicContact CG2-CB 4.13Å; I46-F65 HydrophobicContact CG2-CD1 3.71Å; I46-F65 HydrophobicContact CG2-CG 4.23Å; I46-H66 WeakPolarHBondContact CA-O 3.43Å; I46-I85 HydrophobicContact CD1-CD1 3.71Å; I46-I85 HydrophobicContact CD1-CG2 3.76Å; I46-L89 HydrophobicContact CG2-CD1 3.73Å
47V95.1Very high93.5Very high89 Ų8990.8 Ų90.854%0.53946%0.46SS..EExtended strand (participates in β ladder)trans-102.2-26.8178.3-64.40000112.5H66 K68V47-H66 HydrophobicContact CG2-CB 4.13Å; V47-H66 VanDerWaalsContact CG2-O 3.31Å; V47-H66 WeakPolarHBondContact CG2-O 3.35Å; V47-H66 PolarHBondContact N-O 3.32Å; V47-K68 HydrophobicContact CG1-CB 4.28Å; V47-K68 HydrophobicContact CG1-CD 4.42Å; V47-K68 HydrophobicContact CG1-CG 3.32Å
48G95.2Very high93.3Very high16 Ų1690 Ų9017%0.16546%0.456CS..EExtended strand (participates in β ladder)trans-167.7-179-177.900000111.6I46 H66I46-G48 VanDerWaalsContact CG2-O 3.3Å; I46-G48 WeakPolarHBondContact CG2-O 3.05Å; G48-H66 PolarHBondContact O-N 2.03Å
49F96Very high93.3Very high45 Ų4589.1 Ų89.120%0.19745%0.451CS..EExtended strand (participates in β ladder)trans-147.9153.8175.772-83.2000110.7Q51 V63 I64 F65 V86 L89F49-Q51 HydrophobicContact CE2-CG 4.33Å; F49-V63 HydrophobicContact CB-CG1 4.03Å; F49-V63 HydrophobicContact CD2-CG1 4.22Å; F49-V63 HydrophobicContact CG-CG1 4.45Å; F49-I64 CarbonylContact C-O 3.6Å; F49-I64 WeakPolarHBondContact CA-O 2.97Å; F49-F65 HydrophobicContact CB-CD1 3.79Å; F49-F65 HydrophobicContact CB-CE1 4.02Å; F49-V86 HydrophobicContact CD2-CG1 4.43Å; F49-V86 HydrophobicContact CD2-CG2 4.15Å; F49-V86 HydrophobicContact CE1-CG1 4.2Å; F49-V86 HydrophobicContact CE2-CG1 3.84Å; F49-V86 HydrophobicContact CE2-CG2 4.37Å; F49-V86 HydrophobicContact CG-CG2 4.28Å; F49-V86 HydrophobicContact CZ-CG1 3.71Å; F49-L89 HydrophobicContact CB-CD1 4.43Å; F49-L89 HydrophobicContact CD1-CB 3.79Å; F49-L89 HydrophobicContact CD1-CD1 3.71Å; F49-L89 HydrophobicContact CD1-CG 4.41Å; F49-L89 HydrophobicContact CE1-CB 3.8Å; F49-L89 HydrophobicContact CG-CD1 4.5Å
50T95.5Very high93.4Very high69 Ų6981.7 Ų81.742%0.42343%0.426SS..EExtended strand (participates in β ladder)trans-121.3142.4169.9-59.40000108.7I64 H66T50-I64 PolarHBondContact N-O 3.4Å; T50-I64 PolarHBondContact O-N 3.1Å; T50-H66 PolarHBondContact OG1-NE2 2.87Å
51Q95.4Very high93.6Very high130 Ų13079.1 Ų79.161%0.60741%0.413SS*.EExtended strand (participates in β ladder)trans-93.5128.7171.4-84.6179.6-20.500109.9F49F49-Q51 HydrophobicContact CE2-CG 4.33Å
52Q94.9Very high93.9Very high20 Ų2077.6 Ų77.69%0.09341%0.406CS..EExtended strand (participates in β ladder)trans-103.1128.1166.7179.8-178.8-60.200108.2C33 C58 I60 N61 A62 I64C33-Q52 PolarHBondContact O-NE2 2.88Å; Q52-C58 HydrophobicContact CG-CB 4.16Å; Q52-I60 PolarHBondContact NE2-O 3.16Å; Q52-N61 WeakPolarHBondContact O-CA 3.31Å; Q52-A62 HydrophobicContact CB-CB 4.09Å; Q52-A62 PolarHBondContact N-O 2.84Å; Q52-A62 PolarHBondContact O-N 2.86Å; Q52-I64 HydrophobicContact CB-CD1 4.42Å
53L95.1Very high94.1Very high118 Ų11872.1 Ų72.162%0.61838%0.381SS*.PPolyproline II helixtrans-101.5144.7173.5-62.7175.9000109.6N61L53-N61 WeakPolarHBondContact CA-OD1 3.01Å
54A93.4Very high94.4Very high46 Ų4671.8 Ų71.838%0.3838%0.377SS..PPolyproline II helixtrans-69.9128.4169.900000109.5C58 N61A54-C58 CarbonylContact C-O 3.51Å; A54-C58 WeakPolarHBondContact CA-O 3.5Å; A54-N61 PolarHBondContact N-OD1 2.84Å
55N91.5Very high94.6Very high96 Ų9664.8 Ų64.851%0.51335%0.346SS..SBendtrans-151.2-164.7178.566.70.9000109.6T57 C58N55-T57 PolarHBondContact O-N 2.87Å; N55-T57 WeakPolarHBondContact OD1-CA 3.3Å; N55-T57 WeakPolarHBondContact OD1-CB 3.31Å; N55-T57 PolarHBondContact OD1-N 3.36Å; N55-C58 PolarHBondContact N-O 2.92Å; N55-C58 VanDerWaalsContact O-O 3.09Å; N55-C58 PolarHBondContact OD1-N 2.85Å
56E88.8Confident94.7Very high202 Ų20261.7 Ų61.794%0.94433%0.333SS*.SBendtrans-65.5-14177.4-60.6-177.2176.200113.8
57T88.6Confident94.7Very high91 Ų9162 Ų6256%0.55834%0.336SS*.SBendtrans-103.5-41.7-177.1-47.50000112.6C32 N55C32-T57 PolarHBondContact SG-O 2.98Å; N55-T57 PolarHBondContact O-N 2.87Å; N55-T57 WeakPolarHBondContact OD1-CA 3.3Å; N55-T57 WeakPolarHBondContact OD1-CB 3.31Å; N55-T57 PolarHBondContact OD1-N 3.36Å
58C92.8Very high94.6Very high14 Ų1464.3 Ų64.310%0.09534%0.339CS..  trans-116.7127.3177.7-61.90000110.3C32 Q52 A54 N55 I60C32-C58 HydrophobicContact CB-CB 3.8Å; C32-C58 WeakPolarHBondContact CB-SG 3.44Å; C32-C58 WeakPolarHBondContact SG-CA 3.39Å; C32-C58 WeakPolarHBondContact SG-CB 3.13Å; C32-C58 CovalentContact SG-SG 2.04Å; C32-C58 PolarHBondContact SG-SG 3.03Å; Q52-C58 HydrophobicContact CG-CB 4.16Å; A54-C58 CarbonylContact C-O 3.51Å; A54-C58 WeakPolarHBondContact CA-O 3.5Å; N55-C58 PolarHBondContact N-O 2.92Å; N55-C58 VanDerWaalsContact O-O 3.09Å; N55-C58 PolarHBondContact OD1-N 2.85Å; C58-I60 PolarHBondContact O-N 2.82Å
59D93.1Very high94.6Very high136 Ų13672.2 Ų72.273%0.72737%0.369SS*.SBendtrans-75.4-21.6-174.4-62.1-40.9000114.5
60I94.9Very high94.4Very high44 Ų4473.3 Ų73.323%0.22639%0.393CS..SBendtrans-128.6146.3-172.569.3175.2000113.1C33 Y36 Q52 C58C33-I60 HydrophobicContact CB-CD1 4.47Å; C33-I60 WeakPolarHBondContact O-CD1 3.02Å; C33-I60 WeakPolarHBondContact O-CG1 3.17Å; Y36-I60 HydrophobicContact CD1-CD1 4.41Å; Y36-I60 HydrophobicContact CE1-CD1 3.75Å; Y36-I60 HydrophobicContact CE1-CG1 4.49Å; Q52-I60 PolarHBondContact NE2-O 3.16Å; C58-I60 PolarHBondContact O-N 2.82Å
61N97.3Very high94.2Very high74 Ų7475.1 Ų75.140%0.39640%0.399SS..  trans-73.7132.9167.5-64.8-64.6000109.5Y36 Q52 L53 A54 P77Y36-N61 VanDerWaalsContact CE1-O 3.31Å; Y36-N61 WeakPolarHBondContact CE1-O 3.43Å; Y36-N61 PolarHBondContact OH-O 2.95Å; Q52-N61 WeakPolarHBondContact O-CA 3.31Å; L53-N61 WeakPolarHBondContact CA-OD1 3.01Å; A54-N61 PolarHBondContact N-OD1 2.84Å; N61-P77 HydrophobicContact CB-CG 4.07Å; N61-P77 WeakPolarHBondContact O-CD 3.49Å
62A97.5Very high94.2Very high2 Ų272.6 Ų72.62%0.01740%0.396CS..EExtended strand (participates in β ladder)trans-143.7153.7178.700000112C33 Y36 Q52C33-A62 HydrophobicContact CB-CB 3.58Å; Y36-A62 HydrophobicContact CE1-CB 4.02Å; Q52-A62 HydrophobicContact CB-CB 4.09Å; Q52-A62 PolarHBondContact N-O 2.84Å; Q52-A62 PolarHBondContact O-N 2.86Å
63V97.6Very high94.2Very high5 Ų573.1 Ų73.13%0.0340%0.4CS..EExtended strand (participates in β ladder)trans-105.2118.3162.4176.70000107.3F49 F65 A75 P77 V82 V86F49-V63 HydrophobicContact CB-CG1 4.03Å; F49-V63 HydrophobicContact CD2-CG1 4.22Å; F49-V63 HydrophobicContact CG-CG1 4.45Å; V63-F65 HydrophobicContact CG1-CD1 4.16Å; V63-F65 HydrophobicContact CG1-CE1 3.76Å; V63-F65 HydrophobicContact CG1-CE2 4.17Å; V63-F65 HydrophobicContact CG1-CZ 3.78Å; V63-A75 PolarHBondContact N-O 2.82Å; V63-A75 PolarHBondContact O-N 2.88Å; V63-P77 HydrophobicContact CG2-CB 4.14Å; V63-V82 HydrophobicContact CB-CG1 3.81Å; V63-V82 HydrophobicContact CG1-CG1 4.17Å; V63-V82 HydrophobicContact CG2-CG1 3.8Å; V63-V86 HydrophobicContact CG1-CG2 3.75Å; V63-V86 HydrophobicContact CG2-CG2 4.28Å
64I97.4Very high94.3Very high28 Ų2869.1 Ų69.114%0.14438%0.382CS..EExtended strand (participates in β ladder)trans-92.8108.7177.4-54.7175.2000107.4C33 F49 T50 Q52 V73C33-I64 VanDerWaalsContact SG-CG1 3.55Å; F49-I64 CarbonylContact C-O 3.6Å; F49-I64 WeakPolarHBondContact CA-O 2.97Å; T50-I64 PolarHBondContact N-O 3.4Å; T50-I64 PolarHBondContact O-N 3.1Å; Q52-I64 HydrophobicContact CB-CD1 4.42Å; I64-V73 WeakPolarHBondContact CA-O 3.11Å
65F97.4Very high94.5Very high0 Ų066.9 Ų66.90%036%0.364CS..EExtended strand (participates in β ladder)trans-84.5126.6173.9-71.6-57.8000110.7L41 I46 F49 V63 S72 V73 A75 W81 V82 I85 V86 L89L41-F65 HydrophobicContact CD1-CB 3.99Å; L41-F65 HydrophobicContact CD1-CD2 3.84Å; L41-F65 HydrophobicContact CD1-CG 4.26Å; I46-F65 HydrophobicContact CD1-CB 4.36Å; I46-F65 HydrophobicContact CD1-CD1 4.03Å; I46-F65 HydrophobicContact CD1-CD2 4.37Å; I46-F65 HydrophobicContact CD1-CE1 4.43Å; I46-F65 HydrophobicContact CD1-CG 4Å; I46-F65 HydrophobicContact CG1-CB 4.45Å; I46-F65 HydrophobicContact CG2-CB 4.13Å; I46-F65 HydrophobicContact CG2-CD1 3.71Å; I46-F65 HydrophobicContact CG2-CG 4.23Å; F49-F65 HydrophobicContact CB-CD1 3.79Å; F49-F65 HydrophobicContact CB-CE1 4.02Å; V63-F65 HydrophobicContact CG1-CD1 4.16Å; V63-F65 HydrophobicContact CG1-CE1 3.76Å; V63-F65 HydrophobicContact CG1-CE2 4.17Å; V63-F65 HydrophobicContact CG1-CZ 3.78Å; F65-S72 WeakPolarHBondContact O-CA 3.45Å; F65-V73 PolarHBondContact N-O 3.06Å; F65-V73 PolarHBondContact O-N 2.72Å; F65-A75 HydrophobicContact CD2-CB 3.74Å; F65-A75 HydrophobicContact CE2-CB 3.62Å; F65-W81 HydrophobicContact CD2-CH2 4.2Å; F65-W81 HydrophobicContact CD2-CZ3 4.08Å; F65-W81 HydrophobicContact CE2-CE3 4.4Å; F65-W81 AromaticContact CE2-CH2 3.8Å; F65-W81 HydrophobicContact CE2-CH2 3.8Å; F65-W81 AromaticContact CE2-CZ3 3.47Å; F65-W81 HydrophobicContact CE2-CZ3 3.47Å; F65-W81 VanDerWaalsContact CE2-CZ3 3.47Å; F65-W81 HydrophobicContact CZ-CZ3 4.27Å; F65-V82 HydrophobicContact CE2-CB 4.42Å; F65-V82 HydrophobicContact CE2-CG1 3.96Å; F65-V82 HydrophobicContact CE2-CG2 4.23Å; F65-V82 HydrophobicContact CZ-CB 4.43Å; F65-V82 HydrophobicContact CZ-CG1 3.84Å; F65-I85 HydrophobicContact CD1-CG2 4.25Å; F65-I85 HydrophobicContact CE1-CB 4.14Å; F65-I85 HydrophobicContact CE1-CG2 3.51Å; F65-I85 HydrophobicContact CZ-CB 3.98Å; F65-I85 HydrophobicContact CZ-CG2 3.84Å; F65-V86 HydrophobicContact CE1-CG2 4.08Å; F65-V86 HydrophobicContact CZ-CG2 4.18Å; F65-L89 HydrophobicContact CE1-CD1 4.39Å
66H95.7Very high94.8Very high59 Ų5963.8 Ų63.827%0.27335%0.347SS..EExtended strand (participates in β ladder)trans-92.6123.5172.4-56.5-65.8000109I46 V47 G48 T50 S72I46-H66 WeakPolarHBondContact CA-O 3.43Å; V47-H66 HydrophobicContact CG2-CB 4.13Å; V47-H66 VanDerWaalsContact CG2-O 3.31Å; V47-H66 WeakPolarHBondContact CG2-O 3.35Å; V47-H66 PolarHBondContact N-O 3.32Å; G48-H66 PolarHBondContact O-N 2.03Å; T50-H66 PolarHBondContact OG1-NE2 2.87Å; H66-S72 PolarHBondContact ND1-OG 3.21Å; H66-S72 VanDerWaalsContact ND1-OG 3.16Å
67T94.9Very high95.2Very high18 Ų1855.9 Ų55.911%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-95.5159.8-177.868.80000111.8F45 K69 G70 L71 V73F45-T67 CarbonylContact O-C 3.48Å; F45-T67 WeakPolarHBondContact O-CA 3.36Å; F45-T67 WeakPolarHBondContact O-CB 3.14Å; T67-K69 PolarHBondContact O-N 2.73Å; T67-G70 PolarHBondContact O-N 2.79Å; T67-L71 PolarHBondContact N-O 2.9Å; T67-L71 WeakPolarHBondContact OG1-CB 3.19Å; T67-L71 PolarHBondContact OG1-N 2.9Å; T67-L71 VanDerWaalsContact OG1-N 3.13Å; T67-L71 PolarHBondContact OG1-O 2.83Å; T67-V73 HydrophobicContact CG2-CG2 4.21Å
68K94.5Very high95.6Very high137 Ų13759.3 Ų59.360%0.59632%0.32SS*.THydrogen-bonded Turntrans-57.4-21173.4-71.2-178.6174.9171.60114K44 F45 V47 G70K44-K68 VanDerWaalsContact O-CE 3.23Å; K44-K68 WeakPolarHBondContact O-CE 3.12Å; K44-K68 PolarHBondContact O-NZ 2.04Å; F45-K68 PolarHBondContact O-N 3.49Å; V47-K68 HydrophobicContact CG1-CB 4.28Å; V47-K68 HydrophobicContact CG1-CD 4.42Å; V47-K68 HydrophobicContact CG1-CG 3.32Å; K68-G70 VanDerWaalsContact C-N 3.27Å
69K93.5Very high95.8Very high182 Ų18261.6 Ų61.679%0.79133%0.329SS*.THydrogen-bonded Turntrans-87.26.7178.2-66.9-172173.2-1720112.9T67 L71T67-K69 PolarHBondContact O-N 2.73Å; K69-L71 HydrophobicContact CB-CD1 4.5Å; K69-L71 HydrophobicContact CB-CG 4.36Å; K69-L71 PolarHBondContact O-N 3.19Å
70G91.6Very high96Very high68 Ų6860.6 Ų60.670%0.70133%0.329SS*.SBendtrans76.55.3-176.600000114.3T67 K68T67-G70 PolarHBondContact O-N 2.79Å; K68-G70 VanDerWaalsContact C-N 3.27Å
71L92.6Very high96.1Very high108 Ų10860.5 Ų60.557%0.56533%0.326SS*.  trans-83.9138.9177.7-55.7173.3000110.9T67 K69T67-L71 PolarHBondContact N-O 2.9Å; T67-L71 WeakPolarHBondContact OG1-CB 3.19Å; T67-L71 PolarHBondContact OG1-N 2.9Å; T67-L71 VanDerWaalsContact OG1-N 3.13Å; T67-L71 PolarHBondContact OG1-O 2.83Å; K69-L71 HydrophobicContact CB-CD1 4.5Å; K69-L71 HydrophobicContact CB-CG 4.36Å; K69-L71 PolarHBondContact O-N 3.19Å
72S94.8Very high96.1Very high77 Ų7757 Ų5754%0.53831%0.307SS..EExtended strand (participates in β ladder)trans-98.6128.1170.2-68.70000109.9F65 H66F65-S72 WeakPolarHBondContact O-CA 3.45Å; H66-S72 PolarHBondContact ND1-OG 3.21Å; H66-S72 VanDerWaalsContact ND1-OG 3.16Å
73V95.8Very high96Very high30 Ų3061.6 Ų61.618%0.18233%0.326CS..EExtended strand (participates in β ladder)trans-124.8117-177.7-174.30000110.3T37 L41 I64 F65 T67T37-V73 HydrophobicContact CG2-CG1 3.63Å; L41-V73 HydrophobicContact CD1-CB 3.85Å; L41-V73 HydrophobicContact CD1-CG1 3.84Å; L41-V73 HydrophobicContact CD1-CG2 4.25Å; I64-V73 WeakPolarHBondContact CA-O 3.11Å; F65-V73 PolarHBondContact N-O 3.06Å; F65-V73 PolarHBondContact O-N 2.72Å; T67-V73 HydrophobicContact CG2-CG2 4.21Å
74C97.2Very high96Very high34 Ų3466.3 Ų66.323%0.2335%0.351CS..EExtended strand (participates in β ladder)trans-70.8124.5174.5-62.20000111.2C33 R35 Y36 T37C33-C74 VanDerWaalsContact CA-SG 3.5Å; C33-C74 HydrophobicContact CB-CB 3.65Å; C33-C74 WeakPolarHBondContact CB-SG 3.41Å; C33-C74 WeakPolarHBondContact SG-CB 3.42Å; C33-C74 CovalentContact SG-SG 2.03Å; C33-C74 PolarHBondContact SG-SG 3Å; R35-C74 WeakPolarHBondContact O-CB 3.49Å; Y36-C74 CarbonylContact C-O 3.46Å; T37-C74 WeakPolarHBondContact CG2-O 3.16Å; T37-C74 PolarHBondContact N-O 2.85Å
75A97.6Very high95.9Very high0 Ų065.3 Ų65.30%035%0.346CS..EExtended strand (participates in β ladder)trans-128.2147.5179.400000111.6T37 V63 F65 P77 W81 V82T37-A75 HydrophobicContact CG2-CB 4.39Å; V63-A75 PolarHBondContact N-O 2.82Å; V63-A75 PolarHBondContact O-N 2.88Å; F65-A75 HydrophobicContact CD2-CB 3.74Å; F65-A75 HydrophobicContact CE2-CB 3.62Å; A75-P77 WeakPolarHBondContact O-CD 3.29Å; A75-W81 HydrophobicContact CB-CH2 3.82Å; A75-W81 HydrophobicContact CB-CZ2 4.16Å; A75-V82 HydrophobicContact CB-CG1 4.3Å; A75-V82 HydrophobicContact CB-CG2 3.74Å
76N97.9Very high95.9Very high30 Ų3066.3 Ų66.316%0.1635%0.352CS..  trans-73.6118.2-176.8-175.2-21.6000110.9Y36 K78 Q79 V82Y36-N76 HydrophobicContact CD1-CB 4.07Å; Y36-N76 HydrophobicContact CD2-CB 3.55Å; Y36-N76 HydrophobicContact CE1-CB 4.36Å; Y36-N76 HydrophobicContact CE2-CB 3.87Å; Y36-N76 HydrophobicContact CG-CB 3.64Å; N76-K78 PolarHBondContact O-N 2.85Å; N76-K78 VanDerWaalsContact OD1-CB 3.28Å; N76-K78 WeakPolarHBondContact OD1-CB 3.3Å; N76-K78 PolarHBondContact OD1-N 3.15Å; N76-Q79 HydrophobicContact CB-CG 3.97Å; N76-Q79 PolarHBondContact O-N 3.49Å; N76-Q79 VanDerWaalsContact O-N 3.09Å; N76-V82 WeakPolarHBondContact O-CG2 3.31Å
77P97.3Very high95.9Very high36 Ų3671.9 Ų71.923%0.23437%0.37CS..THydrogen-bonded Turntrans-62.4-18.1-178.325.2-34.1000113.4N61 V63 A75 K83N61-P77 HydrophobicContact CB-CG 4.07Å; N61-P77 WeakPolarHBondContact O-CD 3.49Å; V63-P77 HydrophobicContact CG2-CB 4.14Å; A75-P77 WeakPolarHBondContact O-CD 3.29Å; P77-K83 WeakPolarHBondContact O-CE 3.44Å
78K97Very high95.9Very high164 Ų16478.5 Ų78.571%0.71339%0.393SS*.THydrogen-bonded Turntrans-77.6-22.8179.3-59.6-178.9179.1178.40112.8N76 K83N76-K78 PolarHBondContact O-N 2.85Å; N76-K78 VanDerWaalsContact OD1-CB 3.28Å; N76-K78 WeakPolarHBondContact OD1-CB 3.3Å; N76-K78 PolarHBondContact OD1-N 3.15Å; K78-K83 PolarHBondContact O-NZ 3.29Å
79Q97.2Very high95.9Very high61 Ų6172.9 Ų72.929%0.28537%0.37SS..SBendtrans-73.3140-176.4-70.6179.45.200112.6N76 W81 V82 K83N76-Q79 HydrophobicContact CB-CG 3.97Å; N76-Q79 PolarHBondContact O-N 3.49Å; N76-Q79 VanDerWaalsContact O-N 3.09Å; Q79-W81 PolarHBondContact O-N 3.37Å; Q79-V82 HydrophobicContact CB-CB 4.48Å; Q79-V82 HydrophobicContact CB-CG2 3.96Å; Q79-V82 WeakPolarHBondContact O-CB 3.31Å; Q79-V82 PolarHBondContact O-N 2.86Å; Q79-K83 PolarHBondContact O-N 2.95Å
80T96.6Very high95.9Very high116 Ų11666.2 Ų66.271%0.71235%0.346SS*.Hα-helixtrans-62.3-41.7-174.2-530000112.9V82 K83 L84T80-V82 VanDerWaalsContact C-N 3.33Å; T80-V82 PolarHBondContact O-N 3.32Å; T80-K83 PolarHBondContact O-N 2.94Å; T80-L84 PolarHBondContact O-N 2.93Å
81W96Very high96Very high42 Ų4270.6 Ų70.616%0.15935%0.346CS..Hα-helixtrans-65.4-37.5179.971.3-94.6000111.7T37 I40 L41 F65 A75 Q79 L84 I85T37-W81 HydrophobicContact CG2-CH2 4.36Å; T37-W81 HydrophobicContact CG2-CZ2 4.35Å; I40-W81 HydrophobicContact CG1-CG 4.45Å; I40-W81 HydrophobicContact CG2-CD2 4.18Å; I40-W81 HydrophobicContact CG2-CE3 4.42Å; I40-W81 HydrophobicContact CG2-CG 4.23Å; L41-W81 HydrophobicContact CB-CH2 4.31Å; L41-W81 HydrophobicContact CB-CZ3 4.02Å; L41-W81 HydrophobicContact CD1-CH2 4.34Å; L41-W81 HydrophobicContact CG-CH2 4.18Å; L41-W81 HydrophobicContact CG-CZ3 4.37Å; F65-W81 HydrophobicContact CD2-CH2 4.2Å; F65-W81 HydrophobicContact CD2-CZ3 4.08Å; F65-W81 HydrophobicContact CE2-CE3 4.4Å; F65-W81 AromaticContact CE2-CH2 3.8Å; F65-W81 HydrophobicContact CE2-CH2 3.8Å; F65-W81 AromaticContact CE2-CZ3 3.47Å; F65-W81 HydrophobicContact CE2-CZ3 3.47Å; F65-W81 VanDerWaalsContact CE2-CZ3 3.47Å; F65-W81 HydrophobicContact CZ-CZ3 4.27Å; A75-W81 HydrophobicContact CB-CH2 3.82Å; A75-W81 HydrophobicContact CB-CZ2 4.16Å; Q79-W81 PolarHBondContact O-N 3.37Å; W81-L84 PolarHBondContact O-N 3.29Å; W81-I85 HydrophobicContact CE3-CD1 3.57Å; W81-I85 HydrophobicContact CE3-CG1 4.43Å; W81-I85 HydrophobicContact CZ3-CD1 3.85Å; W81-I85 WeakPolarHBondContact O-CG1 3.44Å; W81-I85 PolarHBondContact O-N 2.92Å
82V97.3Very high95.9Very high1 Ų172.6 Ų72.61%0.00635%0.35CS..Hα-helixtrans-60.3-51176.5178.70000109.9V63 F65 A75 N76 Q79 T80 L84 I85 V86V63-V82 HydrophobicContact CB-CG1 3.81Å; V63-V82 HydrophobicContact CG1-CG1 4.17Å; V63-V82 HydrophobicContact CG2-CG1 3.8Å; F65-V82 HydrophobicContact CE2-CB 4.42Å; F65-V82 HydrophobicContact CE2-CG1 3.96Å; F65-V82 HydrophobicContact CE2-CG2 4.23Å; F65-V82 HydrophobicContact CZ-CB 4.43Å; F65-V82 HydrophobicContact CZ-CG1 3.84Å; A75-V82 HydrophobicContact CB-CG1 4.3Å; A75-V82 HydrophobicContact CB-CG2 3.74Å; N76-V82 WeakPolarHBondContact O-CG2 3.31Å; Q79-V82 HydrophobicContact CB-CB 4.48Å; Q79-V82 HydrophobicContact CB-CG2 3.96Å; Q79-V82 WeakPolarHBondContact O-CB 3.31Å; Q79-V82 PolarHBondContact O-N 2.86Å; T80-V82 VanDerWaalsContact C-N 3.33Å; T80-V82 PolarHBondContact O-N 3.32Å; V82-L84 VanDerWaalsContact C-N 3.3Å; V82-L84 PolarHBondContact O-N 3.38Å; V82-I85 PolarHBondContact O-N 3.03Å; V82-V86 HydrophobicContact CG1-CG2 4.49Å; V82-V86 WeakPolarHBondContact O-CG2 3.48Å; V82-V86 PolarHBondContact O-N 3.11Å
83K97.2Very high95.6Very high98 Ų9873.9 Ų73.943%0.42635%0.35SS..Hα-helixtrans-58.5-40.8177.3-65.5175.8-175.1171.90112.1P77 K78 Q79 T80 R87P77-K83 WeakPolarHBondContact O-CE 3.44Å; K78-K83 PolarHBondContact O-NZ 3.29Å; Q79-K83 PolarHBondContact O-N 2.95Å; T80-K83 PolarHBondContact O-N 2.94Å; K83-R87 WeakPolarHBondContact O-CB 3.48Å; K83-R87 VanDerWaalsContact O-CG 3.23Å; K83-R87 WeakPolarHBondContact O-CG 3.3Å; K83-R87 PolarHBondContact O-N 3.47Å
84L96.1Very high95.1Very high104 Ų10479 Ų7955%0.54538%0.376SS..Hα-helixtrans-66.2-42.3179.7-173.6132.7000112.1T80 W81 V82 R88T80-L84 PolarHBondContact O-N 2.93Å; W81-L84 PolarHBondContact O-N 3.29Å; V82-L84 VanDerWaalsContact C-N 3.3Å; V82-L84 PolarHBondContact O-N 3.38Å; L84-R88 PolarHBondContact O-N 2.92Å; L84-R88 VanDerWaalsContact O-N 3.07Å
85I96.1Very high94.4Very high6 Ų686.4 Ų86.43%0.03140%0.404CS..Hα-helixtrans-66.1-47.6176.7-66.8-177.2000110.8L41 P43 I46 F65 W81 V82 R87 R88 L89L41-I85 WeakPolarHBondContact O-CD1 3.41Å; P43-I85 HydrophobicContact CG-CD1 3.95Å; P43-I85 HydrophobicContact CG-CG1 3.98Å; I46-I85 HydrophobicContact CD1-CD1 3.71Å; I46-I85 HydrophobicContact CD1-CG2 3.76Å; F65-I85 HydrophobicContact CD1-CG2 4.25Å; F65-I85 HydrophobicContact CE1-CB 4.14Å; F65-I85 HydrophobicContact CE1-CG2 3.51Å; F65-I85 HydrophobicContact CZ-CB 3.98Å; F65-I85 HydrophobicContact CZ-CG2 3.84Å; W81-I85 HydrophobicContact CE3-CD1 3.57Å; W81-I85 HydrophobicContact CE3-CG1 4.43Å; W81-I85 HydrophobicContact CZ3-CD1 3.85Å; W81-I85 WeakPolarHBondContact O-CG1 3.44Å; W81-I85 PolarHBondContact O-N 2.92Å; V82-I85 PolarHBondContact O-N 3.03Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.32Å; I85-R88 WeakPolarHBondContact O-CB 3.29Å; I85-R88 PolarHBondContact O-N 3.44Å; I85-R88 VanDerWaalsContact O-N 3.12Å; I85-L89 HydrophobicContact CG2-CD1 3.77Å; I85-L89 HydrophobicContact CG2-CG 4.28Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 3.02Å
86V96.8Very high93.1Very high21 Ų2197 Ų9713%0.12746%0.456CS..Hα-helixtrans-54.7-50.3176.61680000110.4F49 V63 F65 V82 R88 L89 S90F49-V86 HydrophobicContact CD2-CG1 4.43Å; F49-V86 HydrophobicContact CD2-CG2 4.15Å; F49-V86 HydrophobicContact CE1-CG1 4.2Å; F49-V86 HydrophobicContact CE2-CG1 3.84Å; F49-V86 HydrophobicContact CE2-CG2 4.37Å; F49-V86 HydrophobicContact CG-CG2 4.28Å; F49-V86 HydrophobicContact CZ-CG1 3.71Å; V63-V86 HydrophobicContact CG1-CG2 3.75Å; V63-V86 HydrophobicContact CG2-CG2 4.28Å; F65-V86 HydrophobicContact CE1-CG2 4.08Å; F65-V86 HydrophobicContact CZ-CG2 4.18Å; V82-V86 HydrophobicContact CG1-CG2 4.49Å; V82-V86 WeakPolarHBondContact O-CG2 3.48Å; V82-V86 PolarHBondContact O-N 3.11Å; V86-R88 VanDerWaalsContact C-N 3.32Å; V86-R88 PolarHBondContact O-N 2.99Å; V86-L89 PolarHBondContact O-N 3.38Å; V86-L89 VanDerWaalsContact O-N 3.12Å; V86-S90 PolarHBondContact O-N 3.03Å; V86-S90 PolarHBondContact O-OG 2.99Å; V86-S90 VanDerWaalsContact O-OG 3.07Å
87R96Very high92.9Very high177 Ų177100.4 Ų100.467%0.66847%0.471SS*.Hα-helixtrans-57.1-42.1177-74.4171.1-178.5174.6-0.2112.9K83 I85 K91K83-R87 WeakPolarHBondContact O-CB 3.48Å; K83-R87 VanDerWaalsContact O-CG 3.23Å; K83-R87 WeakPolarHBondContact O-CG 3.3Å; K83-R87 PolarHBondContact O-N 3.47Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.32Å; R87-K91 WeakPolarHBondContact O-CG 3.27Å; R87-K91 PolarHBondContact O-N 3.45Å; R87-K91 VanDerWaalsContact O-N 3.07Å
88R94.6Very high92.6Very high156 Ų156103.7 Ų103.759%0.58948%0.484SS*.Hα-helixtrans-63.8-43.7177.2176.6-178.8-94.5175.3-6111.1L84 I85 V86 K92L84-R88 PolarHBondContact O-N 2.92Å; L84-R88 VanDerWaalsContact O-N 3.07Å; I85-R88 WeakPolarHBondContact O-CB 3.29Å; I85-R88 PolarHBondContact O-N 3.44Å; I85-R88 VanDerWaalsContact O-N 3.12Å; V86-R88 VanDerWaalsContact C-N 3.32Å; V86-R88 PolarHBondContact O-N 2.99Å; R88-K92 PolarHBondContact O-N 3.47Å; R88-K92 VanDerWaalsContact O-N 3.16Å
89L94.3Very high92.4Very high20 Ų20100.4 Ų100.411%0.10547%0.471CS..Hα-helixtrans-67.4-45.7179.2-68172000111.3I46 F49 F65 I85 V86 K91 K92 I93I46-L89 HydrophobicContact CG2-CD1 3.73Å; F49-L89 HydrophobicContact CB-CD1 4.43Å; F49-L89 HydrophobicContact CD1-CB 3.79Å; F49-L89 HydrophobicContact CD1-CD1 3.71Å; F49-L89 HydrophobicContact CD1-CG 4.41Å; F49-L89 HydrophobicContact CE1-CB 3.8Å; F49-L89 HydrophobicContact CG-CD1 4.5Å; F65-L89 HydrophobicContact CE1-CD1 4.39Å; I85-L89 HydrophobicContact CG2-CD1 3.77Å; I85-L89 HydrophobicContact CG2-CG 4.28Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 3.02Å; V86-L89 PolarHBondContact O-N 3.38Å; V86-L89 VanDerWaalsContact O-N 3.12Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3Å; L89-K92 WeakPolarHBondContact O-CA 3.35Å; L89-K92 WeakPolarHBondContact O-CB 3.34Å; L89-K92 PolarHBondContact O-N 3.15Å; L89-I93 WeakPolarHBondContact O-CG1 3.44Å; L89-I93 PolarHBondContact O-N 3.41Å
90S93.9Very high92.1Very high41 Ų41102.7 Ų102.729%0.28748%0.482SS..Hα-helixtrans-58.2-42.2175.7-57.60000112.4V86 K92 I93 N94V86-S90 PolarHBondContact O-N 3.03Å; V86-S90 PolarHBondContact O-OG 2.99Å; V86-S90 VanDerWaalsContact O-OG 3.07Å; S90-K92 VanDerWaalsContact C-N 3.29Å; S90-K92 PolarHBondContact O-N 3.39Å; S90-I93 PolarHBondContact O-N 3.43Å; S90-N94 PolarHBondContact O-N 3.4Å; S90-N94 PolarHBondContact O-ND2 2.99Å
91K94.3Very high91.8Very high161 Ų161101.9 Ų101.970%0.747%0.468SS*.Hα-helixtrans-62.5-35.7174.4-76.9-177.4178.1-171.50112.9R87 L89 K95R87-K91 WeakPolarHBondContact O-CG 3.27Å; R87-K91 PolarHBondContact O-N 3.45Å; R87-K91 VanDerWaalsContact O-N 3.07Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3Å; K91-K95 WeakPolarHBondContact O-CB 3.24Å; K91-K95 PolarHBondContact O-N 2.95Å
92K89.8Confident91.6Very high149 Ų149105.9 Ų105.965%0.64849%0.488SS*.Hα-helixtrans-68.3-41.7177.6-174179.5176.6-176.80111.1R88 L89 S90 K95 M96R88-K92 PolarHBondContact O-N 3.47Å; R88-K92 VanDerWaalsContact O-N 3.16Å; L89-K92 WeakPolarHBondContact O-CA 3.35Å; L89-K92 WeakPolarHBondContact O-CB 3.34Å; L89-K92 PolarHBondContact O-N 3.15Å; S90-K92 VanDerWaalsContact C-N 3.29Å; S90-K92 PolarHBondContact O-N 3.39Å; K92-K95 PolarHBondContact O-N 3.4Å; K92-M96 PolarHBondContact O-N 3.01Å
93I87.9Confident91.1Very high105 Ų105113.4 Ų113.454%0.53852%0.523SS..Hα-helixtrans-64.6-46178.2-63.7168000110.5L89 S90 K95 M96L89-I93 WeakPolarHBondContact O-CG1 3.44Å; L89-I93 PolarHBondContact O-N 3.41Å; S90-I93 PolarHBondContact O-N 3.43Å; I93-K95 PolarHBondContact O-N 3.47Å; I93-M96 PolarHBondContact O-N 3.47Å
94N86.1Confident90.7Very high137 Ų137114.5 Ų114.573%0.73353%0.53SS*.THydrogen-bonded Turntrans-69.2-15-179.5-68.8-21.9000114.7S90S90-N94 PolarHBondContact O-N 3.4Å; S90-N94 PolarHBondContact O-ND2 2.99Å
95K83.3Confident90.2Very high190 Ų190115.4 Ų115.483%0.82653%0.529SS*.THydrogen-bonded Turntrans-94.2-11.6178.9-171.2171.8179.9-179.70112.2K91 K92 I93K91-K95 WeakPolarHBondContact O-CB 3.24Å; K91-K95 PolarHBondContact O-N 2.95Å; K92-K95 PolarHBondContact O-N 3.4Å; I93-K95 PolarHBondContact O-N 3.47Å
96M69.6Low89.7Confident222 Ų222125.4 Ų125.4100%1.09457%0.574SS**  trans-89.70-179.5-158.1163.6-178.700109.6K92 I93K92-M96 PolarHBondContact O-N 3.01Å; I93-M96 PolarHBondContact O-N 3.47Å

Retrieved 96 of 96 residues in 145.8 ms (Link to these results)