A0A087Y7A1_POEFO Loading...

Phosducin b

AlphaFold DB , UniProt , Accession A0A087Y7A1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 236 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
1M34.5Very low39.6Very low249 Ų249146.1 Ų146.1100%1.22778%0.776SS**  0138.90-76.1-170.3174.600107.8
2S35.8Very low42Very low118 Ų118138.3 Ų138.383%0.82575%0.748SS**  trans-35.4131-168.5-163.50000116.3R4S2-R4 PolarHBondContact O-N 2.97Å
3G35.7Very low45.2Very low63 Ų63130.9 Ų130.965%0.64971%0.711SS**  trans-54.7133.8165.200000111.4V5G3-V5 PolarHBondContact O-N 3.36Å
4R35.8Very low48.2Very low240 Ų240130.9 Ų130.991%0.90670%0.703SS**  trans-85.592157.9-74.8-179.7-179.2177.8-0105.9S2 I6S2-R4 PolarHBondContact O-N 2.97Å; R4-I6 VanDerWaalsContact C-N 3.31Å; R4-I6 PolarHBondContact O-N 2.84Å
5V33.5Very low50.9Low133 Ų133129.2 Ų129.281%0.80670%0.699SS**  trans-62.4106.4155.5-178.50000104.2G3 D7G3-V5 PolarHBondContact O-N 3.36Å; V5-D7 PolarHBondContact O-N 3.1Å
6I36.8Very low53.4Low129 Ų129124.1 Ų124.166%0.66269%0.686SS**  trans-66.6107.2170.2-57.5171.9000104R4 L8R4-I6 VanDerWaalsContact C-N 3.31Å; R4-I6 PolarHBondContact O-N 2.84Å; I6-L8 HydrophobicContact CB-CD1 4.31Å; I6-L8 HydrophobicContact CG2-CB 4.3Å; I6-L8 HydrophobicContact CG2-CD1 3.45Å; I6-L8 VanDerWaalsContact CG2-CD1 3.45Å; I6-L8 HydrophobicContact CG2-CG 3.68Å; I6-L8 PolarHBondContact O-N 3.26Å
7D35.9Very low55.5Low147 Ų147122.2 Ų122.279%0.78668%0.681SS**  trans-70.972.6173.3-160.518.6000107.7V5 E9V5-D7 PolarHBondContact O-N 3.1Å; D7-E9 PolarHBondContact O-N 2.6Å
8L37.4Very low57.3Low119 Ų119119.6 Ų119.662%0.62366%0.661SS**  trans-89.254.8169-94.5155.5000107.8I6 E10I6-L8 HydrophobicContact CB-CD1 4.31Å; I6-L8 HydrophobicContact CG2-CB 4.3Å; I6-L8 HydrophobicContact CG2-CD1 3.45Å; I6-L8 VanDerWaalsContact CG2-CD1 3.45Å; I6-L8 HydrophobicContact CG2-CG 3.68Å; I6-L8 PolarHBondContact O-N 3.26Å; L8-E10 HydrophobicContact CD2-CG 3.97Å; L8-E10 PolarHBondContact O-N 2.92Å
9E40.6Very low59Low149 Ų149113.4 Ų113.470%0.69663%0.627SS**  trans-7374142.3-81.9-156.4158.300106.6D7 T11D7-E9 PolarHBondContact O-N 2.6Å; E9-T11 PolarHBondContact O-N 3.45Å
10E50Low60.6Low160 Ų160112.9 Ų112.975%0.74863%0.627SS**  trans-48.3116.3146.5-92.2-177.9165.700105.1L8 A12L8-E10 HydrophobicContact CD2-CG 3.97Å; L8-E10 PolarHBondContact O-N 2.92Å; E10-A12 VanDerWaalsContact C-N 3.25Å; E10-A12 PolarHBondContact O-N 2.68Å
11T59.3Low61.9Low100 Ų100108.7 Ų108.761%0.61360%0.604SS**  trans-61.894.7-179.935.90000107.2E9 T13E9-T11 PolarHBondContact O-N 3.45Å; T11-T13 WeakPolarHBondContact O-CG2 3.41Å; T11-T13 PolarHBondContact O-N 2.69Å; T11-T13 PolarHBondContact O-OG1 3.4Å
12A68.9Low64.5Low53 Ų5398.5 Ų98.544%0.43855%0.554SS.*  trans-55.4105.9-179.700000109.1E10 K18E10-A12 VanDerWaalsContact C-N 3.25Å; E10-A12 PolarHBondContact O-N 2.68Å; A12-K18 WeakPolarHBondContact O-CB 3.33Å; A12-K18 WeakPolarHBondContact O-CD 3.33Å
13T83.3Confident67Low42 Ų4295.7 Ų95.726%0.25853%0.53SS..  trans-115.16.3-172.346.30000112.5T11 G19 N22T11-T13 WeakPolarHBondContact O-CG2 3.41Å; T11-T13 PolarHBondContact O-N 2.69Å; T11-T13 PolarHBondContact O-OG1 3.4Å; T13-G19 WeakPolarHBondContact O-CA 3.33Å; T13-N22 WeakPolarHBondContact O-CB 3.4Å; T13-N22 PolarHBondContact O-ND2 2.87Å
14H86.6Confident69.6Low130 Ų13093.9 Ų93.960%0.60250%0.503SS*.SBendtrans-112.3-10.8-174.9-57.2103.4000113.2
15T89.3Confident72Confident106 Ų10685.3 Ų85.365%0.6547%0.471SS*.SBendtrans-136.6155.9-176.659.50000113G19T15-G19 PolarHBondContact O-N 3.14Å
16G90.5Very high74.6Confident47 Ų4781.7 Ų81.749%0.48544%0.443SS..Hα-helixtrans60.1-155.2177.700000114K18 G19 V20G16-K18 PolarHBondContact O-N 3.34Å; G16-K18 VanDerWaalsContact O-N 3.14Å; G16-G19 WeakPolarHBondContact O-CA 3.27Å; G16-G19 PolarHBondContact O-N 3.15Å; G16-V20 PolarHBondContact O-N 3.42Å; G16-V20 VanDerWaalsContact O-N 3.11Å
17P89.8Confident77Confident92 Ų9276 Ų7660%0.59741%0.413SS*.Hα-helixtrans-60.3-25.9-178-26.535.1000114.6I21P17-I21 WeakPolarHBondContact O-CD1 3.46Å; P17-I21 VanDerWaalsContact O-CG1 3.23Å; P17-I21 WeakPolarHBondContact O-CG1 3.15Å; P17-I21 PolarHBondContact O-N 2.66Å
18K87.4Confident79.4Confident75 Ų7569.3 Ų69.333%0.32638%0.377SS..Hα-helixtrans-76.3-37.8175.7-69.5-179.3-179.6175.60111.1A12 G16 I21 N22 K65A12-K18 WeakPolarHBondContact O-CB 3.33Å; A12-K18 WeakPolarHBondContact O-CD 3.33Å; G16-K18 PolarHBondContact O-N 3.34Å; G16-K18 VanDerWaalsContact O-N 3.14Å; K18-I21 PolarHBondContact O-N 3.06Å; K18-N22 WeakPolarHBondContact O-CB 3.36Å; K18-N22 PolarHBondContact O-N 3.33Å; K18-K65 HydrophobicContact CG-CD 4.08Å
19G90Very high81.6Confident2 Ų266 Ų662%0.02136%0.36CS..Hα-helixtrans-54.4-53.3170.200000112.5T13 T15 G16 I21 N22 D23T13-G19 WeakPolarHBondContact O-CA 3.33Å; T15-G19 PolarHBondContact O-N 3.14Å; G16-G19 WeakPolarHBondContact O-CA 3.27Å; G16-G19 PolarHBondContact O-N 3.15Å; G19-I21 VanDerWaalsContact C-N 3.3Å; G19-I21 PolarHBondContact O-N 3.26Å; G19-N22 PolarHBondContact O-N 3.3Å; G19-N22 VanDerWaalsContact O-N 3.08Å; G19-D23 WeakPolarHBondContact O-CB 3.44Å; G19-D23 PolarHBondContact O-N 3.41Å
20V91Very high83.5Confident104 Ų10462.4 Ų62.463%0.6334%0.343SS*.Hα-helixtrans-56.9-43.1179.2178.50000112.1G16 W24G16-V20 PolarHBondContact O-N 3.42Å; G16-V20 VanDerWaalsContact O-N 3.11Å; V20-W24 VanDerWaalsContact O-CB 3.31Å; V20-W24 WeakPolarHBondContact O-CB 3.4Å; V20-W24 PolarHBondContact O-N 2.68Å
21I88.4Confident84.9Confident25 Ų2557 Ų5713%0.12832%0.323CS..Hα-helixtrans-66.2-42.4178.5-65.4169.7000110.9P17 K18 G19 W24 R25 K65 M66P17-I21 WeakPolarHBondContact O-CD1 3.46Å; P17-I21 VanDerWaalsContact O-CG1 3.23Å; P17-I21 WeakPolarHBondContact O-CG1 3.15Å; P17-I21 PolarHBondContact O-N 2.66Å; K18-I21 PolarHBondContact O-N 3.06Å; G19-I21 VanDerWaalsContact C-N 3.3Å; G19-I21 PolarHBondContact O-N 3.26Å; I21-W24 PolarHBondContact O-N 3.34Å; I21-R25 WeakPolarHBondContact O-CG 3.45Å; I21-R25 PolarHBondContact O-N 3Å; I21-K65 HydrophobicContact CD1-CB 3.53Å; I21-K65 HydrophobicContact CD1-CD 4.17Å; I21-K65 HydrophobicContact CD1-CG 4.49Å; I21-M66 HydrophobicContact CB-CE 4.48Å; I21-M66 HydrophobicContact CG1-CE 3.96Å; I21-M66 HydrophobicContact CG2-CE 4.1Å
22N88.1Confident85.6Confident35 Ų3553.7 Ų53.719%0.18730%0.301CS..Hα-helixtrans-66.2-45.2179.1-173.660.3000111.8T13 K18 G19 W24 R25 R26T13-N22 WeakPolarHBondContact O-CB 3.4Å; T13-N22 PolarHBondContact O-ND2 2.87Å; K18-N22 WeakPolarHBondContact O-CB 3.36Å; K18-N22 PolarHBondContact O-N 3.33Å; G19-N22 PolarHBondContact O-N 3.3Å; G19-N22 VanDerWaalsContact O-N 3.08Å; N22-W24 VanDerWaalsContact C-N 3.32Å; N22-W24 PolarHBondContact O-N 3.17Å; N22-R25 WeakPolarHBondContact O-CB 3.28Å; N22-R25 PolarHBondContact O-N 2.9Å; N22-R26 WeakPolarHBondContact O-CG 3.5Å; N22-R26 PolarHBondContact O-N 3.18Å
23D89.3Confident85.7Confident59 Ų5955.4 Ų55.432%0.31630%0.303SS..Hα-helixtrans-62.9-39.8176.7-76.2-5.1000111.4G19 R26 F27 Y85G19-D23 WeakPolarHBondContact O-CB 3.44Å; G19-D23 PolarHBondContact O-N 3.41Å; D23-R26 PolarHBondContact O-N 3.38Å; D23-F27 WeakPolarHBondContact O-CB 3.24Å; D23-F27 PolarHBondContact O-N 2.96Å; D23-Y85 HydrophobicContact CB-CE1 4.43Å; D23-Y85 PolarHBondContact O-OH 3.41Å; D23-Y85 VanDerWaalsContact O-OH 3.13Å
24W88.8Confident84.9Confident24 Ų2462.2 Ų62.29%0.09132%0.324CS..Hα-helixtrans-62.7-43.5173.8174.986.5000112.3V20 I21 N22 R26 F27 K28 M48 M66 E70 L73 L74V20-W24 VanDerWaalsContact O-CB 3.31Å; V20-W24 WeakPolarHBondContact O-CB 3.4Å; V20-W24 PolarHBondContact O-N 2.68Å; I21-W24 PolarHBondContact O-N 3.34Å; N22-W24 VanDerWaalsContact C-N 3.32Å; N22-W24 PolarHBondContact O-N 3.17Å; W24-R26 VanDerWaalsContact C-N 3.35Å; W24-R26 PolarHBondContact O-N 2.88Å; W24-F27 WeakPolarHBondContact O-CB 3.42Å; W24-F27 PolarHBondContact O-N 2.87Å; W24-K28 HydrophobicContact CD2-CG 4.13Å; W24-K28 HydrophobicContact CH2-CG 4.32Å; W24-K28 HydrophobicContact CZ2-CD 4.35Å; W24-K28 HydrophobicContact CZ2-CG 3.79Å; W24-K28 WeakPolarHBondContact O-CG 3.23Å; W24-K28 PolarHBondContact O-N 3Å; W24-M48 HydrophobicContact CH2-CE 4.01Å; W24-M48 HydrophobicContact CH2-SD 4.41Å; W24-M48 HydrophobicContact CZ3-CE 4.1Å; W24-M48 HydrophobicContact CZ3-SD 3.99Å; W24-M66 HydrophobicContact CE3-CE 4.27Å; W24-E70 HydrophobicContact CH2-CB 3.78Å; W24-E70 HydrophobicContact CH2-CG 4.19Å; W24-E70 VanDerWaalsContact CH2-O 3.22Å; W24-E70 WeakPolarHBondContact CH2-O 3.46Å; W24-E70 WeakPolarHBondContact CZ2-O 3.41Å; W24-E70 HydrophobicContact CZ3-CB 3.84Å; W24-E70 HydrophobicContact CZ3-CG 3.96Å; W24-L73 HydrophobicContact CH2-CB 4.16Å; W24-L73 HydrophobicContact CZ2-CB 3.9Å; W24-L74 HydrophobicContact CD2-CD2 4.37Å; W24-L74 HydrophobicContact CG-CD2 4.46Å; W24-L74 HydrophobicContact CZ2-CD2 4.04Å; W24-L74 HydrophobicContact CZ2-CG 4.17Å
25R87.8Confident83.8Confident60 Ų6064 Ų6423%0.22633%0.332CS..Hα-helixtrans-59.6-46.3175.9-75.5170.6173.4150.57.4111.5I21 N22 K28 L29 M48 K65 E70I21-R25 WeakPolarHBondContact O-CG 3.45Å; I21-R25 PolarHBondContact O-N 3Å; N22-R25 WeakPolarHBondContact O-CB 3.28Å; N22-R25 PolarHBondContact O-N 2.9Å; R25-K28 PolarHBondContact O-N 3.09Å; R25-L29 WeakPolarHBondContact O-CG 3.2Å; R25-L29 PolarHBondContact O-N 2.96Å; R25-M48 HydrophobicContact CB-CB 4.43Å; R25-M48 HydrophobicContact CB-SD 4.4Å; R25-M48 HydrophobicContact CG-CB 4.27Å; R25-M48 HydrophobicContact CG-CG 4.27Å; R25-M48 HydrophobicContact CG-SD 4.02Å; R25-K65 PolarHBondContact NH2-O 2.94Å; R25-E70 IonicContact CZ-OE1 3.28Å; R25-E70 VanDerWaalsContact CZ-OE1 3.25Å; R25-E70 IonicContact CZ-OE2 2.69Å; R25-E70 IonicContact NE-OE1 2.67Å; R25-E70 PolarHBondContact NE-OE1 3.15Å; R25-E70 IonicContact NH2-OE1 3.82Å; R25-E70 PolarHBondContact NH2-OE1 3.1Å; R25-E70 IonicContact NH2-OE2 2.66Å; R25-E70 PolarHBondContact NH2-OE2 3.26Å
26R87.7Confident82.9Confident57 Ų5765.4 Ų65.422%0.21534%0.336CS..Hα-helixtrans-60.5-47.7176.2-75-175.265.5-167.9-1.2111.3N22 D23 W24 K28 L29 E30 Y85 E92N22-R26 WeakPolarHBondContact O-CG 3.5Å; N22-R26 PolarHBondContact O-N 3.18Å; D23-R26 PolarHBondContact O-N 3.38Å; W24-R26 VanDerWaalsContact C-N 3.35Å; W24-R26 PolarHBondContact O-N 2.88Å; R26-K28 PolarHBondContact O-N 2.82Å; R26-L29 WeakPolarHBondContact O-CB 3.17Å; R26-L29 PolarHBondContact O-N 2.97Å; R26-L29 VanDerWaalsContact O-N 3.16Å; R26-E30 IonicContact NH2-OE1 3.76Å; R26-E30 WeakPolarHBondContact O-CG 3.33Å; R26-E30 PolarHBondContact O-N 2.91Å; R26-Y85 HydrophobicContact CB-CE2 4.18Å; R26-Y85 WeakPolarHBondContact CB-OH 3.42Å; R26-E92 IonicContact CZ-OE2 2.68Å; R26-E92 IonicContact NH1-OE2 2.67Å; R26-E92 IonicContact NH2-OE1 3.59Å; R26-E92 IonicContact NH2-OE2 2.71Å; R26-E92 PolarHBondContact NH2-OE2 3.5Å
27F87.6Confident82.1Confident10 Ų1064.3 Ų64.34%0.04432%0.319CS..Hα-helixtrans-54.7-49.7175.6171.3-116.3000111.9D23 W24 L29 E30 S31 C81 L82 Y85D23-F27 WeakPolarHBondContact O-CB 3.24Å; D23-F27 PolarHBondContact O-N 2.96Å; W24-F27 WeakPolarHBondContact O-CB 3.42Å; W24-F27 PolarHBondContact O-N 2.87Å; F27-L29 VanDerWaalsContact C-N 3.31Å; F27-L29 PolarHBondContact O-N 3.1Å; F27-E30 PolarHBondContact O-N 3.09Å; F27-E30 VanDerWaalsContact O-N 3.14Å; F27-S31 VanDerWaalsContact O-CB 3.31Å; F27-S31 WeakPolarHBondContact O-CB 3.49Å; F27-S31 PolarHBondContact O-N 2.79Å; F27-S31 PolarHBondContact O-OG 2.98Å; F27-C81 HydrophobicContact CE2-CB 3.91Å; F27-C81 HydrophobicContact CZ-CB 4.03Å; F27-L82 HydrophobicContact CD1-CD1 4.47Å; F27-L82 HydrophobicContact CD2-CD1 4.4Å; F27-L82 HydrophobicContact CE1-CD1 4.31Å; F27-L82 HydrophobicContact CE2-CB 4.4Å; F27-L82 HydrophobicContact CE2-CD1 4.25Å; F27-L82 HydrophobicContact CG-CD1 4.5Å; F27-L82 HydrophobicContact CZ-CB 4.21Å; F27-L82 HydrophobicContact CZ-CD1 4.2Å; F27-Y85 HydrophobicContact CB-CD1 3.89Å; F27-Y85 HydrophobicContact CB-CD2 4.13Å; F27-Y85 HydrophobicContact CB-CE1 3.87Å; F27-Y85 HydrophobicContact CB-CE2 4.12Å; F27-Y85 HydrophobicContact CB-CG 4.04Å; F27-Y85 HydrophobicContact CD2-CD1 4.01Å; F27-Y85 HydrophobicContact CD2-CD2 4.04Å; F27-Y85 AromaticContact CD2-CG 3.59Å; F27-Y85 HydrophobicContact CD2-CG 3.59Å; F27-Y85 HydrophobicContact CG-CD1 4.29Å; F27-Y85 HydrophobicContact CG-CG 4.24Å
28K86Confident81.7Confident7 Ų763.3 Ų63.33%0.0331%0.312CS..Hα-helixtrans-63.8-35.6179-67.5-63.7179.4-179.40112.9W24 R25 R26 E30 M32 L45 L73 E76W24-K28 HydrophobicContact CD2-CG 4.13Å; W24-K28 HydrophobicContact CH2-CG 4.32Å; W24-K28 HydrophobicContact CZ2-CD 4.35Å; W24-K28 HydrophobicContact CZ2-CG 3.79Å; W24-K28 WeakPolarHBondContact O-CG 3.23Å; W24-K28 PolarHBondContact O-N 3Å; R25-K28 PolarHBondContact O-N 3.09Å; R26-K28 PolarHBondContact O-N 2.82Å; K28-E30 VanDerWaalsContact C-N 3.3Å; K28-E30 PolarHBondContact O-N 3.04Å; K28-M32 HydrophobicContact CB-SD 4.38Å; K28-M32 WeakPolarHBondContact O-CB 3.2Å; K28-M32 WeakPolarHBondContact O-CG 3.47Å; K28-M32 PolarHBondContact O-N 3.13Å; K28-L45 HydrophobicContact CB-CD2 4.35Å; K28-L73 PolarHBondContact NZ-O 3.12Å; K28-L73 VanDerWaalsContact NZ-O 3.13Å; K28-E76 PolarHBondContact NZ-O 2.98Å
29L83.2Confident81.4Confident48 Ų4865 Ų6525%0.25133%0.331SS..Hα-helixtrans-65.4-34.2174.8-77166.1000112.8R25 R26 F27 L45 S49R25-L29 WeakPolarHBondContact O-CG 3.2Å; R25-L29 PolarHBondContact O-N 2.96Å; R26-L29 WeakPolarHBondContact O-CB 3.17Å; R26-L29 PolarHBondContact O-N 2.97Å; R26-L29 VanDerWaalsContact O-N 3.16Å; F27-L29 VanDerWaalsContact C-N 3.31Å; F27-L29 PolarHBondContact O-N 3.1Å; L29-L45 HydrophobicContact CD2-CB 3.83Å; L29-L45 HydrophobicContact CD2-CD2 3.89Å; L29-L45 HydrophobicContact CD2-CG 4.36Å; L29-L45 HydrophobicContact CG-CD2 4.26Å; L29-S49 VanDerWaalsContact CD1-OG 3.29Å; L29-S49 WeakPolarHBondContact CD1-OG 3.4Å; L29-S49 WeakPolarHBondContact CD2-OG 3.46Å
30E80.8Confident80.9Confident74 Ų7468.6 Ų68.635%0.34636%0.361SS..Hα-helixtrans-87.5-33.9-178-68.7178.6-152.100113.1R26 F27 K28 R88R26-E30 IonicContact NH2-OE1 3.76Å; R26-E30 WeakPolarHBondContact O-CG 3.33Å; R26-E30 PolarHBondContact O-N 2.91Å; F27-E30 PolarHBondContact O-N 3.09Å; F27-E30 VanDerWaalsContact O-N 3.14Å; K28-E30 VanDerWaalsContact C-N 3.3Å; K28-E30 PolarHBondContact O-N 3.04Å; E30-R88 VanDerWaalsContact CD-NH1 3.34Å; E30-R88 IonicContact OE1-NH1 3.9Å; E30-R88 IonicContact OE2-CZ 3.37Å; E30-R88 IonicContact OE2-NE 3.61Å; E30-R88 IonicContact OE2-NH1 2.76Å; E30-R88 PolarHBondContact OE2-NH1 3.22Å
31S78.3Confident80.2Confident46 Ų4666.2 Ų66.232%0.32234%0.342SS..Hα-helixtrans-85.1-21.7-174.377.40000113.8F27F27-S31 VanDerWaalsContact O-CB 3.31Å; F27-S31 WeakPolarHBondContact O-CB 3.49Å; F27-S31 PolarHBondContact O-N 2.79Å; F27-S31 PolarHBondContact O-OG 2.98Å
32M75.1Confident79.8Confident31 Ų3169.3 Ų69.315%0.15335%0.354CS..SBendtrans-90.5129.7-175.4-64.6178.285.500111.8K28 R34 L37 K41 L45 L73K28-M32 HydrophobicContact CB-SD 4.38Å; K28-M32 WeakPolarHBondContact O-CB 3.2Å; K28-M32 WeakPolarHBondContact O-CG 3.47Å; K28-M32 PolarHBondContact O-N 3.13Å; M32-R34 PolarHBondContact O-N 2.65Å; M32-L37 HydrophobicContact CB-CD1 3.91Å; M32-L37 HydrophobicContact CE-CD1 3.92Å; M32-L37 HydrophobicContact CE-CD2 3.43Å; M32-L37 VanDerWaalsContact CE-CD2 3.43Å; M32-L37 HydrophobicContact CE-CG 4.31Å; M32-L37 HydrophobicContact SD-CD1 4.48Å; M32-K41 HydrophobicContact CE-CD 4.06Å; M32-L45 HydrophobicContact CB-CD1 4.26Å; M32-L45 HydrophobicContact SD-CD1 4Å; M32-L45 HydrophobicContact SD-CD2 3.92Å; M32-L45 HydrophobicContact SD-CG 4.34Å; M32-L73 HydrophobicContact CE-CD2 4.4Å
33D71.6Confident79.4Confident89 Ų8970.8 Ų70.848%0.47636%0.36SS..  trans-67.4103.5172.3179.31.5000110.6E35 N36 L37D33-E35 PolarHBondContact O-N 3.42Å; D33-E35 VanDerWaalsContact O-N 3.17Å; D33-E35 PolarHBondContact OD1-N 3.26Å; D33-N36 PolarHBondContact O-N 3.49Å; D33-N36 PolarHBondContact OD2-ND2 2.9Å; D33-L37 VanDerWaalsContact O-CG 3.3Å; D33-L37 WeakPolarHBondContact O-CG 3.37Å
34R65.1Low79Confident186 Ų18668.6 Ų68.670%0.70235%0.348SS*.THydrogen-bonded Turntrans-62-23.1-177.2-70.9179.569.6-168.72.4112.9M32 K42M32-R34 PolarHBondContact O-N 2.65Å; R34-K42 WeakPolarHBondContact O-CE 3.35Å; R34-K42 PolarHBondContact O-NZ 3.32Å
35E63.5Low78.5Confident166 Ų16667.8 Ų67.878%0.77635%0.345SS*.THydrogen-bonded Turntrans-78.8-39.5-175.8-60.3-150.3139.300111.8D33 L37 K42D33-E35 PolarHBondContact O-N 3.42Å; D33-E35 VanDerWaalsContact O-N 3.17Å; D33-E35 PolarHBondContact OD1-N 3.26Å; E35-L37 PolarHBondContact O-N 3.46Å; E35-K42 PolarHBondContact O-NZ 3.2Å
36N70.7Confident78.1Confident137 Ų13772.6 Ų72.673%0.73336%0.364SS*.THydrogen-bonded Turntrans-89.83.2-174.4-72.8-45.5000115.4D33D33-N36 PolarHBondContact O-N 3.49Å; D33-N36 PolarHBondContact OD2-ND2 2.9Å
37L73.9Confident77.7Confident24 Ų2474.8 Ų74.813%0.12638%0.376CS..SBendtrans-80.5144-177.6-79171000114.6M32 D33 E35 K41 K42 L45M32-L37 HydrophobicContact CB-CD1 3.91Å; M32-L37 HydrophobicContact CE-CD1 3.92Å; M32-L37 HydrophobicContact CE-CD2 3.43Å; M32-L37 VanDerWaalsContact CE-CD2 3.43Å; M32-L37 HydrophobicContact CE-CG 4.31Å; M32-L37 HydrophobicContact SD-CD1 4.48Å; D33-L37 VanDerWaalsContact O-CG 3.3Å; D33-L37 WeakPolarHBondContact O-CG 3.37Å; E35-L37 PolarHBondContact O-N 3.46Å; L37-K41 HydrophobicContact CB-CB 4.43Å; L37-K41 HydrophobicContact CD2-CB 4.02Å; L37-K41 HydrophobicContact CD2-CD 3.82Å; L37-K42 HydrophobicContact CB-CD 4.44Å; L37-K42 HydrophobicContact CB-CG 3.76Å; L37-K42 WeakPolarHBondContact O-CD 3.31Å; L37-K42 WeakPolarHBondContact O-CE 3.3Å; L37-K42 PolarHBondContact O-NZ 3.47Å; L37-L45 HydrophobicContact CD1-CD1 3.48Å; L37-L45 VanDerWaalsContact CD1-CD1 3.48Å
38P81.5Confident77.1Confident71 Ų7175.4 Ų75.446%0.46138%0.38SS..  trans-55.6146.7167.5-24.133.2000112.1A40 K41 K42P38-A40 PolarHBondContact O-N 2.93Å; P38-A40 VanDerWaalsContact O-N 3.12Å; P38-K41 PolarHBondContact O-N 3.35Å; P38-K42 PolarHBondContact O-N 3.48Å
39P80.6Confident76.4Confident110 Ų11078.4 Ų78.471%0.71440%0.402SS*.Hα-helixtrans-53.3-36.6-178.7-2834.7000114.4K42 E43P39-K42 WeakPolarHBondContact O-CB 3.41Å; P39-K42 PolarHBondContact O-N 2.87Å; P39-E43 PolarHBondContact O-N 2.83Å
40A79.2Confident75.6Confident78 Ų7879.7 Ų79.765%0.64541%0.414SS*.Hα-helixtrans-65-42.7176.700000112.9P38 E43 L44P38-A40 PolarHBondContact O-N 2.93Å; P38-A40 VanDerWaalsContact O-N 3.12Å; A40-E43 PolarHBondContact O-N 3.49Å; A40-L44 WeakPolarHBondContact O-CB 3.3Å; A40-L44 PolarHBondContact O-N 2.82Å
41K78Confident74.3Confident54 Ų5482 Ų8224%0.23544%0.436CS..Hα-helixtrans-67.7-36.8175.6-71.5-167.5174.7-172.90110.8M32 L37 P38 L44 L45 L73 E76M32-K41 HydrophobicContact CE-CD 4.06Å; L37-K41 HydrophobicContact CB-CB 4.43Å; L37-K41 HydrophobicContact CD2-CB 4.02Å; L37-K41 HydrophobicContact CD2-CD 3.82Å; P38-K41 PolarHBondContact O-N 3.35Å; K41-L44 PolarHBondContact O-N 2.78Å; K41-L45 WeakPolarHBondContact O-CG 3.34Å; K41-L45 PolarHBondContact O-N 2.97Å; K41-L73 HydrophobicContact CD-CD2 4.2Å; K41-E76 VanDerWaalsContact NZ-CD 3.27Å; K41-E76 IonicContact NZ-OE1 2.86Å; K41-E76 PolarHBondContact NZ-OE1 2.9Å; K41-E76 IonicContact NZ-OE2 2.8Å; K41-E76 PolarHBondContact NZ-OE2 3.23Å
42K79.4Confident73Confident89 Ų8987 Ų8739%0.38746%0.459SS..Hα-helixtrans-61.5-45.7174.4-72.6173.5164.8163.80112.4R34 E35 L37 P38 P39 L45 R46R34-K42 WeakPolarHBondContact O-CE 3.35Å; R34-K42 PolarHBondContact O-NZ 3.32Å; E35-K42 PolarHBondContact O-NZ 3.2Å; L37-K42 HydrophobicContact CB-CD 4.44Å; L37-K42 HydrophobicContact CB-CG 3.76Å; L37-K42 WeakPolarHBondContact O-CD 3.31Å; L37-K42 WeakPolarHBondContact O-CE 3.3Å; L37-K42 PolarHBondContact O-NZ 3.47Å; P38-K42 PolarHBondContact O-N 3.48Å; P39-K42 WeakPolarHBondContact O-CB 3.41Å; P39-K42 PolarHBondContact O-N 2.87Å; K42-L45 PolarHBondContact O-N 3.29Å; K42-R46 PolarHBondContact O-N 3.28Å; K42-R46 VanDerWaalsContact O-N 3.11Å
43E79.7Confident72Confident66 Ų6692.9 Ų92.931%0.30848%0.484SS..Hα-helixtrans-64.8-42.6177.8-178.755.8-14900111.7P39 A40 L45 R46 Q47P39-E43 PolarHBondContact O-N 2.83Å; A40-E43 PolarHBondContact O-N 3.49Å; E43-L45 PolarHBondContact O-N 3.47Å; E43-R46 WeakPolarHBondContact O-CB 3.26Å; E43-R46 PolarHBondContact O-N 3.36Å; E43-R46 IonicContact OE1-CZ 3.32Å; E43-R46 VanDerWaalsContact OE1-CZ 3.32Å; E43-R46 IonicContact OE1-NE 3.35Å; E43-R46 PolarHBondContact OE1-NE 3.05Å; E43-R46 IonicContact OE1-NH2 2.69Å; E43-R46 PolarHBondContact OE1-NH2 3.39Å; E43-R46 IonicContact OE2-CZ 2.93Å; E43-R46 IonicContact OE2-NE 3.19Å; E43-R46 PolarHBondContact OE2-NE 2.81Å; E43-R46 IonicContact OE2-NH1 3.53Å; E43-R46 IonicContact OE2-NH2 2.87Å; E43-R46 PolarHBondContact OE2-NH2 2.83Å; E43-Q47 WeakPolarHBondContact O-CG 3.18Å; E43-Q47 PolarHBondContact O-N 3.01Å; E43-Q47 PolarHBondContact OE1-NE2 3.05Å
44L80.3Confident70.8Confident14 Ų1493.2 Ų93.27%0.07349%0.493CS..Hα-helixtrans-61.2-44.6177.1177.860.4000112.1A40 K41 R46 Q47 M48 Q69 E70 L73A40-L44 WeakPolarHBondContact O-CB 3.3Å; A40-L44 PolarHBondContact O-N 2.82Å; K41-L44 PolarHBondContact O-N 2.78Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.91Å; L44-Q47 WeakPolarHBondContact O-CB 3.36Å; L44-Q47 PolarHBondContact O-N 2.86Å; L44-Q47 VanDerWaalsContact O-N 3.14Å; L44-M48 HydrophobicContact CD1-CE 3.99Å; L44-M48 HydrophobicContact CD2-CE 3.92Å; L44-M48 HydrophobicContact CG-CE 3.56Å; L44-M48 WeakPolarHBondContact O-CG 3.44Å; L44-M48 PolarHBondContact O-N 2.95Å; L44-Q69 HydrophobicContact CD1-CB 3.87Å; L44-Q69 HydrophobicContact CD2-CB 3.81Å; L44-Q69 HydrophobicContact CG-CB 4.48Å; L44-E70 HydrophobicContact CD1-CG 4.42Å; L44-L73 HydrophobicContact CD2-CD1 3.55Å; L44-L73 HydrophobicContact CD2-CG 4.23Å; L44-L73 HydrophobicContact CG-CD1 4.43Å
45L78.5Confident70Confident6 Ų694.9 Ų94.93%0.03151%0.506CS..Hα-helixtrans-59.6-42.8174-73.7176.2000111.6K28 L29 M32 L37 K41 K42 E43 Q47 M48 S49K28-L45 HydrophobicContact CB-CD2 4.35Å; L29-L45 HydrophobicContact CD2-CB 3.83Å; L29-L45 HydrophobicContact CD2-CD2 3.89Å; L29-L45 HydrophobicContact CD2-CG 4.36Å; L29-L45 HydrophobicContact CG-CD2 4.26Å; M32-L45 HydrophobicContact CB-CD1 4.26Å; M32-L45 HydrophobicContact SD-CD1 4Å; M32-L45 HydrophobicContact SD-CD2 3.92Å; M32-L45 HydrophobicContact SD-CG 4.34Å; L37-L45 HydrophobicContact CD1-CD1 3.48Å; L37-L45 VanDerWaalsContact CD1-CD1 3.48Å; K41-L45 WeakPolarHBondContact O-CG 3.34Å; K41-L45 PolarHBondContact O-N 2.97Å; K42-L45 PolarHBondContact O-N 3.29Å; E43-L45 PolarHBondContact O-N 3.47Å; L45-Q47 VanDerWaalsContact C-N 3.26Å; L45-Q47 PolarHBondContact O-N 2.91Å; L45-M48 HydrophobicContact CD2-SD 4.36Å; L45-M48 WeakPolarHBondContact O-CB 3.27Å; L45-M48 PolarHBondContact O-N 3.23Å; L45-M48 VanDerWaalsContact O-N 3.1Å; L45-S49 PolarHBondContact O-N 3.4Å; L45-S49 PolarHBondContact O-OG 2.98Å; L45-S49 VanDerWaalsContact O-OG 3.08Å
46R79.9Confident69.3Low162 Ų16294.2 Ų94.261%0.61151%0.507SS*.Hα-helixtrans-59-38.4175.5-169.7-177.974.3174.66.2112.1K42 E43 L44 S49 S50K42-R46 PolarHBondContact O-N 3.28Å; K42-R46 VanDerWaalsContact O-N 3.11Å; E43-R46 WeakPolarHBondContact O-CB 3.26Å; E43-R46 PolarHBondContact O-N 3.36Å; E43-R46 IonicContact OE1-CZ 3.32Å; E43-R46 VanDerWaalsContact OE1-CZ 3.32Å; E43-R46 IonicContact OE1-NE 3.35Å; E43-R46 PolarHBondContact OE1-NE 3.05Å; E43-R46 IonicContact OE1-NH2 2.69Å; E43-R46 PolarHBondContact OE1-NH2 3.39Å; E43-R46 IonicContact OE2-CZ 2.93Å; E43-R46 IonicContact OE2-NE 3.19Å; E43-R46 PolarHBondContact OE2-NE 2.81Å; E43-R46 IonicContact OE2-NH1 3.53Å; E43-R46 IonicContact OE2-NH2 2.87Å; E43-R46 PolarHBondContact OE2-NH2 2.83Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.91Å; R46-S49 PolarHBondContact O-N 3.21Å; R46-S50 PolarHBondContact O-N 3.23Å
47Q78.4Confident68.2Low103 Ų10392.1 Ų92.148%0.48150%0.496SS..Hα-helixtrans-68.1-37.9175.5-69.11767.600112.2E43 L44 L45 S49 S50E43-Q47 WeakPolarHBondContact O-CG 3.18Å; E43-Q47 PolarHBondContact O-N 3.01Å; E43-Q47 PolarHBondContact OE1-NE2 3.05Å; L44-Q47 WeakPolarHBondContact O-CB 3.36Å; L44-Q47 PolarHBondContact O-N 2.86Å; L44-Q47 VanDerWaalsContact O-N 3.14Å; L45-Q47 VanDerWaalsContact C-N 3.26Å; L45-Q47 PolarHBondContact O-N 2.91Å; Q47-S49 VanDerWaalsContact C-N 3.28Å; Q47-S49 PolarHBondContact O-N 3.41Å; Q47-S50 PolarHBondContact O-N 3.43Å
48M76.6Confident67.3Low23 Ų2395.4 Ų95.411%0.11352%0.521CS..Hα-helixtrans-64.6-31.8174.3-64.1-173.9-154.700112.8W24 R25 L44 L45 S50 E70 L73W24-M48 HydrophobicContact CH2-CE 4.01Å; W24-M48 HydrophobicContact CH2-SD 4.41Å; W24-M48 HydrophobicContact CZ3-CE 4.1Å; W24-M48 HydrophobicContact CZ3-SD 3.99Å; R25-M48 HydrophobicContact CB-CB 4.43Å; R25-M48 HydrophobicContact CB-SD 4.4Å; R25-M48 HydrophobicContact CG-CB 4.27Å; R25-M48 HydrophobicContact CG-CG 4.27Å; R25-M48 HydrophobicContact CG-SD 4.02Å; L44-M48 HydrophobicContact CD1-CE 3.99Å; L44-M48 HydrophobicContact CD2-CE 3.92Å; L44-M48 HydrophobicContact CG-CE 3.56Å; L44-M48 WeakPolarHBondContact O-CG 3.44Å; L44-M48 PolarHBondContact O-N 2.95Å; L45-M48 HydrophobicContact CD2-SD 4.36Å; L45-M48 WeakPolarHBondContact O-CB 3.27Å; L45-M48 PolarHBondContact O-N 3.23Å; L45-M48 VanDerWaalsContact O-N 3.1Å; M48-S50 VanDerWaalsContact C-N 3.31Å; M48-S50 PolarHBondContact O-N 3.21Å; M48-E70 HydrophobicContact CE-CG 3.69Å; M48-E70 HydrophobicContact CG-CG 4.48Å; M48-E70 HydrophobicContact SD-CG 4.42Å; M48-L73 HydrophobicContact CE-CD1 3.63Å
49S69.6Low65.8Low70 Ų70103.1 Ų103.149%0.4954%0.541SS..THydrogen-bonded Turntrans-77.9-8.9178.2-480000114.4L29 L45 R46 Q47L29-S49 VanDerWaalsContact CD1-OG 3.29Å; L29-S49 WeakPolarHBondContact CD1-OG 3.4Å; L29-S49 WeakPolarHBondContact CD2-OG 3.46Å; L45-S49 PolarHBondContact O-N 3.4Å; L45-S49 PolarHBondContact O-OG 2.98Å; L45-S49 VanDerWaalsContact O-OG 3.08Å; R46-S49 PolarHBondContact O-N 3.21Å; Q47-S49 VanDerWaalsContact C-N 3.28Å; Q47-S49 PolarHBondContact O-N 3.41Å
50S67.1Low64.5Low74 Ų74102.2 Ų102.252%0.51754%0.543SS..  trans-111.9115.6-173.5-134.70000111.6R46 Q47 M48 N52R46-S50 PolarHBondContact O-N 3.23Å; Q47-S50 PolarHBondContact O-N 3.43Å; M48-S50 VanDerWaalsContact C-N 3.31Å; M48-S50 PolarHBondContact O-N 3.21Å; S50-N52 PolarHBondContact O-N 3.34Å
51P53.6Low63.3Low124 Ų124101.8 Ų101.881%0.80553%0.529SS*.  trans-70.7-15.6179.3-9.220.6000113.9K53P51-K53 PolarHBondContact O-N 3.07Å
52N50.1Low62.2Low150 Ų150104.4 Ų104.480%0.80255%0.546SS*.  trans-77.292.5-178.5-87.8-10.3000110.9S50 S54S50-N52 PolarHBondContact O-N 3.34Å; N52-S54 PolarHBondContact O-N 3.06Å
53K55.1Low61.3Low154 Ų154107.4 Ų107.467%0.6757%0.566SS**  trans-56.4120.7162.5-70.8-176.1176.3-173.90108.8P51 K55P51-K53 PolarHBondContact O-N 3.07Å; K53-K55 PolarHBondContact O-N 2.81Å
54S46.8Very low61Low97 Ų97109.2 Ų109.268%0.67857%0.57SS**  trans-53.1129.7167.842.20000109.5N52 D56N52-S54 PolarHBondContact O-N 3.06Å; S54-D56 PolarHBondContact O-N 2.78Å
55K47.1Very low60.8Low221 Ų221113.6 Ų113.696%0.96159%0.588SS**SBendtrans-64.79.9-172.9-89.1-178.2174.3176.70116.1K53K53-K55 PolarHBondContact O-N 2.81Å
56D50.3Low60.9Low151 Ų151114.1 Ų114.181%0.80759%0.591SS**  trans-121.664.5-170.8-16125000110.9S54S54-D56 PolarHBondContact O-N 2.78Å
57D46.8Very low61.1Low93 Ų93108.4 Ų108.450%0.49758%0.576SS.*  trans-137.7124.1173.3-119.9-23.4000111.2N61D57-N61 HydrophobicContact CB-CB 3.95Å; D57-N61 PolarHBondContact OD1-ND2 3.2Å; D57-N61 PolarHBondContact OD2-ND2 2.98Å
58S54.5Low61.2Low94 Ų94107.3 Ų107.366%0.65758%0.576SS**  trans-50.5149.2-176.8-64.80000111.4A60 N61S58-A60 PolarHBondContact O-N 2.74Å; S58-N61 PolarHBondContact O-N 3.47Å
59R51.2Low61.4Low233 Ų233111 Ų11188%0.87959%0.593SS**THydrogen-bonded Turntrans-46.8-19.5-176.8-75.8170.469.8117.3-3.4115.9
60A51.4Low62Low90 Ų90108.1 Ų108.174%0.74457%0.572SS**THydrogen-bonded Turntrans-75.3-25174.300000114.9S58S58-A60 PolarHBondContact O-N 2.74Å
61N54.4Low62.7Low69 Ų69110.6 Ų110.637%0.36957%0.57SS.*THydrogen-bonded Turntrans-88.2-13.5-178-94.7-15.3000114.2D57 S58 N63 R64D57-N61 HydrophobicContact CB-CB 3.95Å; D57-N61 PolarHBondContact OD1-ND2 3.2Å; D57-N61 PolarHBondContact OD2-ND2 2.98Å; S58-N61 PolarHBondContact O-N 3.47Å; N61-N63 VanDerWaalsContact C-N 3.3Å; N61-N63 PolarHBondContact O-N 3.34Å; N61-R64 PolarHBondContact O-N 3.43Å
62L56.4Low64Low110 Ų110110.8 Ų110.858%0.57656%0.561SS**THydrogen-bonded Turntrans-66.5-29-178.7-83.3121.4000113.7
63N60.5Low65.3Low152 Ų152104 Ų10481%0.81353%0.525SS*.THydrogen-bonded Turntrans-89.8-7.1-178-73.2-10.2000114.2N61 K65N61-N63 VanDerWaalsContact C-N 3.3Å; N61-N63 PolarHBondContact O-N 3.34Å; N63-K65 PolarHBondContact O-N 2.95Å
64R72.1Confident66.3Low104 Ų10499.7 Ų99.739%0.39251%0.508SS..  trans-82.2118.6180-170.3172.9-179.6168.93.1110N61 M66 V68N61-R64 PolarHBondContact O-N 3.43Å; R64-M66 WeakPolarHBondContact CD-O 3.49Å; R64-M66 WeakPolarHBondContact CG-O 3.37Å; R64-M66 PolarHBondContact NE-O 3.46Å; R64-V68 VanDerWaalsContact NH2-CA 3.3Å
65K77.3Confident67.4Low105 Ų105104.1 Ų104.146%0.45752%0.515SS..SBendtrans-82.3-22.2-178-63.1179.8-179.7174.80113.8K18 I21 R25 N63K18-K65 HydrophobicContact CG-CD 4.08Å; I21-K65 HydrophobicContact CD1-CB 3.53Å; I21-K65 HydrophobicContact CD1-CD 4.17Å; I21-K65 HydrophobicContact CD1-CG 4.49Å; R25-K65 PolarHBondContact NH2-O 2.94Å; N63-K65 PolarHBondContact O-N 2.95Å
66M80.3Confident68.3Low17 Ų1798.8 Ų98.88%0.08449%0.494CS..SBendtrans-141.3132.4-177.2-175.1-172.6-68.600111I21 W24 R64 E70 Y71 L74I21-M66 HydrophobicContact CB-CE 4.48Å; I21-M66 HydrophobicContact CG1-CE 3.96Å; I21-M66 HydrophobicContact CG2-CE 4.1Å; W24-M66 HydrophobicContact CE3-CE 4.27Å; R64-M66 WeakPolarHBondContact CD-O 3.49Å; R64-M66 WeakPolarHBondContact CG-O 3.37Å; R64-M66 PolarHBondContact NE-O 3.46Å; M66-E70 WeakPolarHBondContact CA-OE2 3.19Å; M66-E70 HydrophobicContact CG-CB 3.3Å; M66-E70 HydrophobicContact CG-CG 4.11Å; M66-E70 VanDerWaalsContact CG-OE2 3.26Å; M66-E70 WeakPolarHBondContact CG-OE2 3.41Å; M66-E70 HydrophobicContact SD-CB 3.91Å; M66-Y71 HydrophobicContact CB-CE2 3.95Å; M66-Y71 HydrophobicContact CG-CD2 4.17Å; M66-Y71 HydrophobicContact CG-CE2 3.94Å; M66-Y71 HydrophobicContact SD-CD1 4.01Å; M66-Y71 HydrophobicContact SD-CD2 3.97Å; M66-Y71 HydrophobicContact SD-CE1 3.93Å; M66-Y71 HydrophobicContact SD-CE2 3.86Å; M66-Y71 HydrophobicContact SD-CG 4.02Å; M66-L74 HydrophobicContact SD-CD1 4.38Å
67S83Confident69Low42 Ų4297 Ų9729%0.29448%0.481SS..  trans-72.8164.3-179850000112.6Q69 E70 Y71S67-Q69 VanDerWaalsContact C-N 3.26Å; S67-Q69 PolarHBondContact O-N 3.24Å; S67-Q69 PolarHBondContact OG-N 3.24Å; S67-E70 PolarHBondContact N-OE2 3.46Å; S67-E70 PolarHBondContact O-N 2.94Å; S67-E70 WeakPolarHBondContact OG-CG 3.41Å; S67-E70 PolarHBondContact OG-N 3.4Å; S67-Y71 WeakPolarHBondContact O-CD2 3.14Å; S67-Y71 PolarHBondContact O-N 3.44Å
68V82.2Confident70.4Confident80 Ų8097 Ų9749%0.48548%0.481SS..Hα-helixtrans-60.3-40.4177.3-177.40000110.9R64 E70 Y71 E72R64-V68 VanDerWaalsContact NH2-CA 3.3Å; V68-E70 VanDerWaalsContact C-N 3.28Å; V68-E70 PolarHBondContact O-N 2.83Å; V68-Y71 WeakPolarHBondContact O-CB 3.23Å; V68-Y71 PolarHBondContact O-N 3.21Å; V68-Y71 VanDerWaalsContact O-N 3.14Å; V68-E72 PolarHBondContact O-N 2.82Å
69Q79.9Confident71.4Confident101 Ų101100.8 Ų100.847%0.47249%0.488SS..Hα-helixtrans-66.4-32-177.4-61.5168.36.400111.7L44 S67 E72L44-Q69 HydrophobicContact CD1-CB 3.87Å; L44-Q69 HydrophobicContact CD2-CB 3.81Å; L44-Q69 HydrophobicContact CG-CB 4.48Å; S67-Q69 VanDerWaalsContact C-N 3.26Å; S67-Q69 PolarHBondContact O-N 3.24Å; S67-Q69 PolarHBondContact OG-N 3.24Å; Q69-E72 PolarHBondContact O-N 2.98Å
70E82.4Confident72.7Confident9 Ų991.7 Ų91.74%0.04247%0.467CS..Hα-helixtrans-65.7-39.6172.9-72.7178.7122.100112.1W24 R25 L44 M48 M66 S67 V68 E72 L73W24-E70 HydrophobicContact CH2-CB 3.78Å; W24-E70 HydrophobicContact CH2-CG 4.19Å; W24-E70 VanDerWaalsContact CH2-O 3.22Å; W24-E70 WeakPolarHBondContact CH2-O 3.46Å; W24-E70 WeakPolarHBondContact CZ2-O 3.41Å; W24-E70 HydrophobicContact CZ3-CB 3.84Å; W24-E70 HydrophobicContact CZ3-CG 3.96Å; R25-E70 IonicContact CZ-OE1 3.28Å; R25-E70 VanDerWaalsContact CZ-OE1 3.25Å; R25-E70 IonicContact CZ-OE2 2.69Å; R25-E70 IonicContact NE-OE1 2.67Å; R25-E70 PolarHBondContact NE-OE1 3.15Å; R25-E70 IonicContact NH2-OE1 3.82Å; R25-E70 PolarHBondContact NH2-OE1 3.1Å; R25-E70 IonicContact NH2-OE2 2.66Å; R25-E70 PolarHBondContact NH2-OE2 3.26Å; L44-E70 HydrophobicContact CD1-CG 4.42Å; M48-E70 HydrophobicContact CE-CG 3.69Å; M48-E70 HydrophobicContact CG-CG 4.48Å; M48-E70 HydrophobicContact SD-CG 4.42Å; M66-E70 WeakPolarHBondContact CA-OE2 3.19Å; M66-E70 HydrophobicContact CG-CB 3.3Å; M66-E70 HydrophobicContact CG-CG 4.11Å; M66-E70 VanDerWaalsContact CG-OE2 3.26Å; M66-E70 WeakPolarHBondContact CG-OE2 3.41Å; M66-E70 HydrophobicContact SD-CB 3.91Å; S67-E70 PolarHBondContact N-OE2 3.46Å; S67-E70 PolarHBondContact O-N 2.94Å; S67-E70 WeakPolarHBondContact OG-CG 3.41Å; S67-E70 PolarHBondContact OG-N 3.4Å; V68-E70 VanDerWaalsContact C-N 3.28Å; V68-E70 PolarHBondContact O-N 2.83Å; E70-E72 VanDerWaalsContact C-N 3.26Å; E70-E72 PolarHBondContact O-N 2.91Å; E70-L73 PolarHBondContact O-N 3.29Å
71Y81.2Confident74.1Confident126 Ų12689.2 Ų89.249%0.49444%0.444SS..Hα-helixtrans-63.5-30.4177.1-78.5-80.3000113.3M66 S67 V68 L73 L74M66-Y71 HydrophobicContact CB-CE2 3.95Å; M66-Y71 HydrophobicContact CG-CD2 4.17Å; M66-Y71 HydrophobicContact CG-CE2 3.94Å; M66-Y71 HydrophobicContact SD-CD1 4.01Å; M66-Y71 HydrophobicContact SD-CD2 3.97Å; M66-Y71 HydrophobicContact SD-CE1 3.93Å; M66-Y71 HydrophobicContact SD-CE2 3.86Å; M66-Y71 HydrophobicContact SD-CG 4.02Å; S67-Y71 WeakPolarHBondContact O-CD2 3.14Å; S67-Y71 PolarHBondContact O-N 3.44Å; V68-Y71 WeakPolarHBondContact O-CB 3.23Å; V68-Y71 PolarHBondContact O-N 3.21Å; V68-Y71 VanDerWaalsContact O-N 3.14Å; Y71-L73 VanDerWaalsContact C-N 3.29Å; Y71-L73 PolarHBondContact O-N 3.14Å; Y71-L74 HydrophobicContact CD1-CD1 3.71Å; Y71-L74 HydrophobicContact CE1-CD1 4.37Å; Y71-L74 HydrophobicContact CG-CD1 4.45Å; Y71-L74 WeakPolarHBondContact O-CB 3.48Å; Y71-L74 PolarHBondContact O-N 3.31Å
72E81.4Confident75.5Confident129 Ų12988 Ų8860%0.60344%0.437SS*.Hα-helixtrans-67.6-31.5178.4-68174.7177.200112V68 Q69 E70 L74V68-E72 PolarHBondContact O-N 2.82Å; Q69-E72 PolarHBondContact O-N 2.98Å; E70-E72 VanDerWaalsContact C-N 3.26Å; E70-E72 PolarHBondContact O-N 2.91Å; E72-L74 VanDerWaalsContact C-N 3.31Å; E72-L74 PolarHBondContact O-N 3.22Å
73L77.7Confident77Confident8 Ų890.1 Ų90.14%0.04244%0.442CS..G310 helixtrans-78-9.7179.1-68.7178.9000114.4W24 K28 M32 K41 L44 M48 E70 Y71 K75W24-L73 HydrophobicContact CH2-CB 4.16Å; W24-L73 HydrophobicContact CZ2-CB 3.9Å; K28-L73 PolarHBondContact NZ-O 3.12Å; K28-L73 VanDerWaalsContact NZ-O 3.13Å; M32-L73 HydrophobicContact CE-CD2 4.4Å; K41-L73 HydrophobicContact CD-CD2 4.2Å; L44-L73 HydrophobicContact CD2-CD1 3.55Å; L44-L73 HydrophobicContact CD2-CG 4.23Å; L44-L73 HydrophobicContact CG-CD1 4.43Å; M48-L73 HydrophobicContact CE-CD1 3.63Å; E70-L73 PolarHBondContact O-N 3.29Å; Y71-L73 VanDerWaalsContact C-N 3.29Å; Y71-L73 PolarHBondContact O-N 3.14Å; L73-K75 PolarHBondContact O-N 3.04Å
74L76.3Confident78.2Confident63 Ų6389.6 Ų89.633%0.3343%0.432SS..G310 helixtrans-67.8-17.9174.7-71.4167.1000112.8W24 M66 Y71 E72 E76W24-L74 HydrophobicContact CD2-CD2 4.37Å; W24-L74 HydrophobicContact CG-CD2 4.46Å; W24-L74 HydrophobicContact CZ2-CD2 4.04Å; W24-L74 HydrophobicContact CZ2-CG 4.17Å; M66-L74 HydrophobicContact SD-CD1 4.38Å; Y71-L74 HydrophobicContact CD1-CD1 3.71Å; Y71-L74 HydrophobicContact CE1-CD1 4.37Å; Y71-L74 HydrophobicContact CG-CD1 4.45Å; Y71-L74 WeakPolarHBondContact O-CB 3.48Å; Y71-L74 PolarHBondContact O-N 3.31Å; E72-L74 VanDerWaalsContact C-N 3.31Å; E72-L74 PolarHBondContact O-N 3.22Å; L74-E76 VanDerWaalsContact C-N 3.32Å; L74-E76 PolarHBondContact O-N 3.42Å
75K69.5Low79Confident189 Ų18985.4 Ų85.482%0.82242%0.416SS*.G310 helixtrans-80.2-12-176.3-62.1-173.9179.3-178.50114.1L73L73-K75 PolarHBondContact O-N 3.04Å
76E66.3Low79.5Confident109 Ų10988 Ų8851%0.50942%0.423SS..  trans-11291.9-177.4-63.3172.4-173.800108.3K28 K41 L74K28-E76 PolarHBondContact NZ-O 2.98Å; K41-E76 VanDerWaalsContact NZ-CD 3.27Å; K41-E76 IonicContact NZ-OE1 2.86Å; K41-E76 PolarHBondContact NZ-OE1 2.9Å; K41-E76 IonicContact NZ-OE2 2.8Å; K41-E76 PolarHBondContact NZ-OE2 3.23Å; L74-E76 VanDerWaalsContact C-N 3.32Å; L74-E76 PolarHBondContact O-N 3.42Å
77E65.3Low79.9Confident115 Ų11593.9 Ų93.954%0.53744%0.444SS..  trans-122.5131.4178.1-67.2-170.2168.300112
78D74.9Confident80.1Confident93 Ų9397.1 Ų97.150%0.49745%0.45SS..  trans-104.7110.2173.5178.4-22.8000108.1G80 C81 L82D78-G80 VanDerWaalsContact C-N 3.26Å; D78-G80 PolarHBondContact O-N 3.11Å; D78-G80 WeakPolarHBondContact OD1-CA 3.42Å; D78-G80 PolarHBondContact OD1-N 3.02Å; D78-C81 HydrophobicContact CB-CB 4.03Å; D78-C81 PolarHBondContact O-N 3.19Å; D78-C81 PolarHBondContact OD1-N 3.41Å; D78-C81 PolarHBondContact OD2-SG 3.33Å; D78-L82 PolarHBondContact O-N 3.47Å; D78-L82 VanDerWaalsContact O-N 3.1Å
79E76.6Confident80.3Confident172 Ų17294.5 Ų94.580%0.80444%0.435SS*.Hα-helixtrans-61-33-178.5-70.1-165.8152.200112.9L82 K83E79-L82 PolarHBondContact O-N 3.45Å; E79-K83 PolarHBondContact O-N 3.36Å; E79-K83 VanDerWaalsContact O-N 3.13Å
80G76.9Confident80.6Confident42 Ų4295.9 Ų95.943%0.43344%0.443SS..Hα-helixtrans-69.6-41.6179.100000112.1D78 L82 K84D78-G80 VanDerWaalsContact C-N 3.26Å; D78-G80 PolarHBondContact O-N 3.11Å; D78-G80 WeakPolarHBondContact OD1-CA 3.42Å; D78-G80 PolarHBondContact OD1-N 3.02Å; G80-L82 VanDerWaalsContact C-N 3.29Å; G80-L82 PolarHBondContact O-N 3.33Å; G80-K84 PolarHBondContact O-N 2.86Å
81C82Confident80.8Confident39 Ų39100.5 Ų100.526%0.26447%0.465SS..Hα-helixtrans-62.7-36.8171.4-74.90000111.9F27 D78 K84 Y85F27-C81 HydrophobicContact CE2-CB 3.91Å; F27-C81 HydrophobicContact CZ-CB 4.03Å; D78-C81 HydrophobicContact CB-CB 4.03Å; D78-C81 PolarHBondContact O-N 3.19Å; D78-C81 PolarHBondContact OD1-N 3.41Å; D78-C81 PolarHBondContact OD2-SG 3.33Å; C81-K84 PolarHBondContact O-N 2.79Å; C81-Y85 PolarHBondContact O-N 2.92Å
82L83.8Confident81.1Confident44 Ų4496.4 Ų96.423%0.2345%0.45CS..Hα-helixtrans-67.4-41.2-178.7-170.762.5000112.5F27 D78 E79 G80 K84 Y85 R86F27-L82 HydrophobicContact CD1-CD1 4.47Å; F27-L82 HydrophobicContact CD2-CD1 4.4Å; F27-L82 HydrophobicContact CE1-CD1 4.31Å; F27-L82 HydrophobicContact CE2-CB 4.4Å; F27-L82 HydrophobicContact CE2-CD1 4.25Å; F27-L82 HydrophobicContact CG-CD1 4.5Å; F27-L82 HydrophobicContact CZ-CB 4.21Å; F27-L82 HydrophobicContact CZ-CD1 4.2Å; D78-L82 PolarHBondContact O-N 3.47Å; D78-L82 VanDerWaalsContact O-N 3.1Å; E79-L82 PolarHBondContact O-N 3.45Å; G80-L82 VanDerWaalsContact C-N 3.29Å; G80-L82 PolarHBondContact O-N 3.33Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 2.89Å; L82-Y85 PolarHBondContact O-N 2.88Å; L82-R86 WeakPolarHBondContact O-CG 3.49Å; L82-R86 PolarHBondContact O-N 2.68Å
83K87Confident81.2Confident154 Ų15494.3 Ų94.367%0.6744%0.442SS*.Hα-helixtrans-58.8-45.6175.1-173178-179.8-179.20111.1E79 Y85 R86 R87E79-K83 PolarHBondContact O-N 3.36Å; E79-K83 VanDerWaalsContact O-N 3.13Å; K83-Y85 PolarHBondContact O-N 3.21Å; K83-R86 PolarHBondContact O-N 2.75Å; K83-R87 PolarHBondContact O-N 3.4Å
84K87.1Confident81.4Confident141 Ų14197 Ų9761%0.61345%0.454SS*.Hα-helixtrans-61.3-43.3177.3-68.5179-177.21780112.1G80 C81 L82 R87 R88G80-K84 PolarHBondContact O-N 2.86Å; C81-K84 PolarHBondContact O-N 2.79Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 2.89Å; K84-R87 PolarHBondContact O-N 3.05Å; K84-R88 PolarHBondContact O-N 2.85Å
85Y87.7Confident81.8Confident16 Ų1697.8 Ų97.86%0.06347%0.465CS..Hα-helixtrans-64.3-42.4178.7-178.7-100.5000112.6D23 R26 F27 C81 L82 K83 R87 R88 C89D23-Y85 HydrophobicContact CB-CE1 4.43Å; D23-Y85 PolarHBondContact O-OH 3.41Å; D23-Y85 VanDerWaalsContact O-OH 3.13Å; R26-Y85 HydrophobicContact CB-CE2 4.18Å; R26-Y85 WeakPolarHBondContact CB-OH 3.42Å; F27-Y85 HydrophobicContact CB-CD1 3.89Å; F27-Y85 HydrophobicContact CB-CD2 4.13Å; F27-Y85 HydrophobicContact CB-CE1 3.87Å; F27-Y85 HydrophobicContact CB-CE2 4.12Å; F27-Y85 HydrophobicContact CB-CG 4.04Å; F27-Y85 HydrophobicContact CD2-CD1 4.01Å; F27-Y85 HydrophobicContact CD2-CD2 4.04Å; F27-Y85 AromaticContact CD2-CG 3.59Å; F27-Y85 HydrophobicContact CD2-CG 3.59Å; F27-Y85 HydrophobicContact CG-CD1 4.29Å; F27-Y85 HydrophobicContact CG-CG 4.24Å; C81-Y85 PolarHBondContact O-N 2.92Å; L82-Y85 PolarHBondContact O-N 2.88Å; K83-Y85 PolarHBondContact O-N 3.21Å; Y85-R87 PolarHBondContact O-N 3.44Å; Y85-R88 PolarHBondContact O-N 3.08Å; Y85-C89 WeakPolarHBondContact CE1-SG 3.43Å; Y85-C89 PolarHBondContact O-N 2.69Å; Y85-C89 PolarHBondContact O-SG 2.84Å
86R88.1Confident82.3Confident158 Ų15895.3 Ų95.360%0.59645%0.454SS*.Hα-helixtrans-58.5-47.7176.2-72.6174.7-177.8165.32.1112L82 K83 C89 M90L82-R86 WeakPolarHBondContact O-CG 3.49Å; L82-R86 PolarHBondContact O-N 2.68Å; K83-R86 PolarHBondContact O-N 2.75Å; R86-C89 PolarHBondContact O-N 3.02Å; R86-M90 PolarHBondContact O-N 3.01Å
87R88.1Confident82.8Confident141 Ų14196.7 Ų96.753%0.53246%0.464SS..Hα-helixtrans-58.7-50177.3-176.4177.861.8-1550.7111.3K83 K84 Y85 C89 M90 E91K83-R87 PolarHBondContact O-N 3.4Å; K84-R87 PolarHBondContact O-N 3.05Å; Y85-R87 PolarHBondContact O-N 3.44Å; R87-C89 VanDerWaalsContact C-N 3.29Å; R87-C89 PolarHBondContact O-N 3.28Å; R87-M90 PolarHBondContact O-N 2.97Å; R87-M90 VanDerWaalsContact O-N 3.09Å; R87-E91 WeakPolarHBondContact CD-OE1 3.43Å; R87-E91 HydrophobicContact CG-CG 4.45Å; R87-E91 VanDerWaalsContact CG-OE1 3.25Å; R87-E91 WeakPolarHBondContact CG-OE1 3.34Å; R87-E91 IonicContact NE-OE1 3.68Å; R87-E91 WeakPolarHBondContact O-CG 3.5Å; R87-E91 PolarHBondContact O-N 3.41Å
88R87.6Confident83.2Confident110 Ų11093.6 Ų93.642%0.41546%0.455SS..Hα-helixtrans-57.2-40177.6-177.1-175.6172.9165.610.5112.9E30 K84 Y85 M90 E91 E92E30-R88 VanDerWaalsContact CD-NH1 3.34Å; E30-R88 IonicContact OE1-NH1 3.9Å; E30-R88 IonicContact OE2-CZ 3.37Å; E30-R88 IonicContact OE2-NE 3.61Å; E30-R88 IonicContact OE2-NH1 2.76Å; E30-R88 PolarHBondContact OE2-NH1 3.22Å; K84-R88 PolarHBondContact O-N 2.85Å; Y85-R88 PolarHBondContact O-N 3.08Å; R88-M90 VanDerWaalsContact C-N 3.31Å; R88-M90 PolarHBondContact O-N 3.29Å; R88-E91 PolarHBondContact O-N 3.11Å; R88-E92 HydrophobicContact CG-CG 4.26Å; R88-E92 IonicContact CZ-OE1 3.49Å; R88-E92 IonicContact NE-OE1 2.81Å; R88-E92 PolarHBondContact NE-OE1 3.41Å; R88-E92 IonicContact NH2-OE1 3.38Å; R88-E92 PolarHBondContact NH2-OE1 2.89Å; R88-E92 WeakPolarHBondContact O-CB 3.47Å; R88-E92 WeakPolarHBondContact O-CG 3.48Å; R88-E92 PolarHBondContact O-N 2.87Å
89C87.5Confident83.2Confident26 Ų2696.2 Ų96.218%0.17646%0.462CS..Hα-helixtrans-61.5-39.9177.9-68.80000112.3Y85 R86 R87 M93Y85-C89 WeakPolarHBondContact CE1-SG 3.43Å; Y85-C89 PolarHBondContact O-N 2.69Å; Y85-C89 PolarHBondContact O-SG 2.84Å; R86-C89 PolarHBondContact O-N 3.02Å; R87-C89 VanDerWaalsContact C-N 3.29Å; R87-C89 PolarHBondContact O-N 3.28Å; C89-M93 WeakPolarHBondContact O-CG 3.3Å; C89-M93 PolarHBondContact O-N 2.66Å; C89-M93 VanDerWaalsContact O-N 3.15Å
90M85.8Confident83.2Confident130 Ų13089.2 Ų89.264%0.6444%0.437SS*.Hα-helixtrans-67.8-46.6176.6-64-173.7-65.600111.1R86 R87 R88 E92 M93 H94R86-M90 PolarHBondContact O-N 3.01Å; R87-M90 PolarHBondContact O-N 2.97Å; R87-M90 VanDerWaalsContact O-N 3.09Å; R88-M90 VanDerWaalsContact C-N 3.31Å; R88-M90 PolarHBondContact O-N 3.29Å; M90-E92 VanDerWaalsContact C-N 3.35Å; M90-E92 PolarHBondContact O-N 3.26Å; M90-M93 PolarHBondContact O-N 3.43Å; M90-H94 WeakPolarHBondContact O-CB 3.31Å; M90-H94 PolarHBondContact O-N 3.31Å
91E86.9Confident83.8Confident105 Ų10589.4 Ų89.449%0.49143%0.43SS..Hα-helixtrans-58.5-44.3176.5-68.9167.2-177.900112R87 R88 M93 H94 S95R87-E91 WeakPolarHBondContact CD-OE1 3.43Å; R87-E91 HydrophobicContact CG-CG 4.45Å; R87-E91 VanDerWaalsContact CG-OE1 3.25Å; R87-E91 WeakPolarHBondContact CG-OE1 3.34Å; R87-E91 IonicContact NE-OE1 3.68Å; R87-E91 WeakPolarHBondContact O-CG 3.5Å; R87-E91 PolarHBondContact O-N 3.41Å; R88-E91 PolarHBondContact O-N 3.11Å; E91-M93 VanDerWaalsContact C-N 3.33Å; E91-M93 PolarHBondContact O-N 3.05Å; E91-H94 PolarHBondContact O-N 2.88Å; E91-S95 WeakPolarHBondContact O-CB 3.43Å; E91-S95 PolarHBondContact O-N 3.14Å
92E87.5Confident84.3Confident41 Ų4194.8 Ų94.819%0.19245%0.449CS..Hα-helixtrans-63.7-37177.4-78.5-177.3-173.900112.5R26 R88 M90 K96R26-E92 IonicContact CZ-OE2 2.68Å; R26-E92 IonicContact NH1-OE2 2.67Å; R26-E92 IonicContact NH2-OE1 3.59Å; R26-E92 IonicContact NH2-OE2 2.71Å; R26-E92 PolarHBondContact NH2-OE2 3.5Å; R88-E92 HydrophobicContact CG-CG 4.26Å; R88-E92 IonicContact CZ-OE1 3.49Å; R88-E92 IonicContact NE-OE1 2.81Å; R88-E92 PolarHBondContact NE-OE1 3.41Å; R88-E92 IonicContact NH2-OE1 3.38Å; R88-E92 PolarHBondContact NH2-OE1 2.89Å; R88-E92 WeakPolarHBondContact O-CB 3.47Å; R88-E92 WeakPolarHBondContact O-CG 3.48Å; R88-E92 PolarHBondContact O-N 2.87Å; M90-E92 VanDerWaalsContact C-N 3.35Å; M90-E92 PolarHBondContact O-N 3.26Å; E92-K96 WeakPolarHBondContact O-CB 3.39Å; E92-K96 WeakPolarHBondContact O-CD 3.37Å; E92-K96 WeakPolarHBondContact O-CG 3.46Å; E92-K96 PolarHBondContact O-N 3Å; E92-K96 VanDerWaalsContact O-N 3.16Å
93M84Confident84.8Confident85 Ų8593.9 Ų93.942%0.41944%0.443SS..Hα-helixtrans-69.4-47.6175.7-74.7-63.7155.700110.9C89 M90 E91 S95 K96 L97C89-M93 WeakPolarHBondContact O-CG 3.3Å; C89-M93 PolarHBondContact O-N 2.66Å; C89-M93 VanDerWaalsContact O-N 3.15Å; M90-M93 PolarHBondContact O-N 3.43Å; E91-M93 VanDerWaalsContact C-N 3.33Å; E91-M93 PolarHBondContact O-N 3.05Å; M93-S95 VanDerWaalsContact C-N 3.34Å; M93-S95 PolarHBondContact O-N 2.85Å; M93-K96 PolarHBondContact O-N 3.42Å; M93-L97 VanDerWaalsContact O-CG 3.28Å; M93-L97 WeakPolarHBondContact O-CG 3.28Å; M93-L97 PolarHBondContact O-N 3.07Å; M93-L97 VanDerWaalsContact O-N 3.07Å
94H81.8Confident85Confident65 Ų6595.6 Ų95.630%0.30145%0.453SS..Hα-helixtrans-56.4-49176.7-175.9-85.4000111.2M90 E91 K96 L97 S98 E223M90-H94 WeakPolarHBondContact O-CB 3.31Å; M90-H94 PolarHBondContact O-N 3.31Å; E91-H94 PolarHBondContact O-N 2.88Å; H94-K96 VanDerWaalsContact C-N 3.3Å; H94-K96 PolarHBondContact O-N 3.28Å; H94-L97 CarbonylContact O-C 3.44Å; H94-L97 PolarHBondContact O-N 3.43Å; H94-S98 WeakPolarHBondContact O-CB 3.46Å; H94-S98 PolarHBondContact O-N 3.48Å; H94-S98 PolarHBondContact O-OG 3.38Å; H94-E223 IonicContact CE1-OE1 3.68Å
95S82.9Confident85.5Confident79 Ų7990.1 Ų90.155%0.55244%0.437SS*.Hα-helixtrans-61.6-33.7178.5177.30000113.8E91 M93 L97 S98E91-S95 WeakPolarHBondContact O-CB 3.43Å; E91-S95 PolarHBondContact O-N 3.14Å; M93-S95 VanDerWaalsContact C-N 3.34Å; M93-S95 PolarHBondContact O-N 2.85Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-S98 WeakPolarHBondContact CA-OG 3.16Å; S95-S98 PolarHBondContact O-OG 2.7Å
96K81.3Confident86Confident136 Ų13690.4 Ų90.459%0.59144%0.441SS*.Hα-helixtrans-74-27.4176.3-75.5170.4-173.1170.20112.6E92 M93 H94E92-K96 WeakPolarHBondContact O-CB 3.39Å; E92-K96 WeakPolarHBondContact O-CD 3.37Å; E92-K96 WeakPolarHBondContact O-CG 3.46Å; E92-K96 PolarHBondContact O-N 3Å; E92-K96 VanDerWaalsContact O-N 3.16Å; M93-K96 PolarHBondContact O-N 3.42Å; H94-K96 VanDerWaalsContact C-N 3.3Å; H94-K96 PolarHBondContact O-N 3.28Å
97L77.3Confident86.5Confident138 Ų13886.2 Ų86.272%0.72343%0.428SS*.Hα-helixtrans-89.2-23179.9-64.4173.4000112.3M93 H94 S95 F99M93-L97 VanDerWaalsContact O-CG 3.28Å; M93-L97 WeakPolarHBondContact O-CG 3.28Å; M93-L97 PolarHBondContact O-N 3.07Å; M93-L97 VanDerWaalsContact O-N 3.07Å; H94-L97 CarbonylContact O-C 3.44Å; H94-L97 PolarHBondContact O-N 3.43Å; S95-L97 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 2.9Å
98S72.8Confident86.9Confident50 Ų5084.1 Ų84.135%0.3543%0.427SS..SBendtrans-82.317.8-179.166.20000115H94 S95H94-S98 WeakPolarHBondContact O-CB 3.46Å; H94-S98 PolarHBondContact O-N 3.48Å; H94-S98 PolarHBondContact O-OG 3.38Å; S95-S98 WeakPolarHBondContact CA-OG 3.16Å; S95-S98 PolarHBondContact O-OG 2.7Å
99F74Confident87.4Confident148 Ų14879.7 Ų79.765%0.64941%0.412SS*.  trans-98.9135.2177.6-176.1-92.4000112.6L97 S125L97-F99 PolarHBondContact O-N 2.9Å; F99-S125 PolarHBondContact O-OG 3.07Å
100G77.9Confident87.9Confident26 Ų2684.3 Ų84.327%0.26843%0.434SS..SBendtrans160.8173.9173.700000112.6
101P89.6Confident88.4Confident45 Ų4579.9 Ų79.929%0.29242%0.416SS..  trans-58.3150.7167.727.1-33.8000110.7F103 H123 T126P101-F103 HydrophobicContact CB-CE1 4.46Å; P101-F103 HydrophobicContact CB-CE2 4.31Å; P101-F103 HydrophobicContact CB-CZ 3.93Å; P101-F103 HydrophobicContact CG-CE2 4.01Å; P101-F103 HydrophobicContact CG-CZ 3.62Å; P101-H123 HydrophobicContact CG-CB 4.04Å; P101-T126 WeakPolarHBondContact CG-OG1 3.35Å
102K92.4Very high88.9Confident152 Ų15275.9 Ų75.966%0.66140%0.403SS*.  trans-108.6143.3168.7-66.4-172.8179.1-171.10109.3P155 T156K102-P155 CarbonylContact C-O 3.58Å; K102-P155 WeakPolarHBondContact CA-O 3.41Å; K102-P155 HydrophobicContact CB-CB 4.41Å; K102-P155 HydrophobicContact CD-CB 4.48Å; K102-T156 HydrophobicContact CG-CG2 4.32Å
103F94.3Very high89.3Confident26 Ų2681.5 Ų81.511%0.11443%0.43CS..  trans-114.1152.1-177.8-54.2-81.7000110P101 H107 T126 P155 K158P101-F103 HydrophobicContact CB-CE1 4.46Å; P101-F103 HydrophobicContact CB-CE2 4.31Å; P101-F103 HydrophobicContact CB-CZ 3.93Å; P101-F103 HydrophobicContact CG-CE2 4.01Å; P101-F103 HydrophobicContact CG-CZ 3.62Å; F103-H107 AromaticContact CD1-NE2 3.76Å; F103-T126 HydrophobicContact CE2-CG2 3.6Å; F103-T126 HydrophobicContact CZ-CG2 3.82Å; F103-P155 PolarHBondContact N-O 3.32Å; F103-K158 HydrophobicContact CD1-CB 4.22Å; F103-K158 HydrophobicContact CD1-CD 4.06Å; F103-K158 HydrophobicContact CD1-CG 3.87Å; F103-K158 HydrophobicContact CD2-CB 3.85Å; F103-K158 HydrophobicContact CD2-CG 4.37Å; F103-K158 HydrophobicContact CE1-CB 4.07Å; F103-K158 HydrophobicContact CE1-CD 3.6Å; F103-K158 HydrophobicContact CE1-CG 3.85Å; F103-K158 HydrophobicContact CE2-CB 3.7Å; F103-K158 HydrophobicContact CE2-CG 4.37Å; F103-K158 HydrophobicContact CG-CB 4.12Å; F103-K158 HydrophobicContact CG-CG 4.14Å; F103-K158 HydrophobicContact CZ-CB 3.81Å; F103-K158 HydrophobicContact CZ-CD 3.92Å; F103-K158 HydrophobicContact CZ-CG 4.11Å
104E91.7Very high90Very high189 Ų18978.5 Ų78.588%0.88342%0.418SS*.  trans-114.999.2177.4-66.4-176.1176.300108.3
105G96.1Very high90.7Very high27 Ų2776.6 Ų76.628%0.27841%0.409SS..SBendtrans77.9-169.417700000115
106V98.3Very high91.3Very high22 Ų2276.9 Ų76.913%0.13340%0.404CS..PPolyproline II helixtrans-90.3135.8-179.4-177.80000110.1L147 D148 A151 F159 R161V106-L147 HydrophobicContact CG2-CB 3.96Å; V106-L147 WeakPolarHBondContact CG2-O 3.28Å; V106-D148 WeakPolarHBondContact CG2-OD1 3.35Å; V106-A151 HydrophobicContact CG2-CB 3.92Å; V106-F159 HydrophobicContact CB-CB 4.49Å; V106-F159 HydrophobicContact CG1-CB 4.39Å; V106-F159 HydrophobicContact CG2-CB 3.97Å; V106-R161 HydrophobicContact CG1-CB 4.37Å; V106-R161 HydrophobicContact CG1-CG 4.05Å
107H98.1Very high92.1Very high69 Ų6975.2 Ų75.232%0.31940%0.398SS..EExtended strand (participates in β ladder)trans-94.9123.5177.7-61.8-82.2000112.1F103 F159 C160 R161F103-H107 AromaticContact CD1-NE2 3.76Å; H107-F159 PolarHBondContact N-O 2.88Å; H107-C160 CarbonylContact O-C 3.6Å; H107-C160 WeakPolarHBondContact O-CA 3.17Å; H107-R161 PolarHBondContact O-N 2.67Å
108D98.1Very high93Very high97 Ų9769.5 Ų69.552%0.51937%0.369SS..EExtended strand (participates in β ladder)trans-77.5125.9170.6-74.4-68.6000110.9R161D108-R161 VanDerWaalsContact OD1-CG 3.28Å; D108-R161 WeakPolarHBondContact OD1-CG 3.42Å; D108-R161 IonicContact OD1-CZ 3.6Å; D108-R161 IonicContact OD1-NE 3.33Å; D108-R161 PolarHBondContact OD1-NE 3.41Å; D108-R161 IonicContact OD1-NH2 2.68Å; D108-R161 PolarHBondContact OD1-NH2 3.29Å; D108-R161 IonicContact OD2-CZ 2.69Å; D108-R161 IonicContact OD2-NE 2.89Å; D108-R161 IonicContact OD2-NH2 3.45Å; D108-R161 PolarHBondContact OD2-NH2 3.29Å
109L98Very high94Very high18 Ų1868 Ų689%0.09436%0.357CS..EExtended strand (participates in β ladder)trans-103.5129.4174.9-51.7173.7000109.4A114 F115 V118 V130 C160 R161 I162L109-A114 HydrophobicContact CD2-CB 4.42Å; L109-F115 HydrophobicContact CD1-CB 4.16Å; L109-F115 HydrophobicContact CD1-CD2 4.1Å; L109-V118 HydrophobicContact CD2-CG2 3.85Å; L109-V130 HydrophobicContact CD1-CG1 4.22Å; L109-C160 HydrophobicContact CD1-CB 3.83Å; L109-C160 HydrophobicContact CG-CB 4.08Å; L109-R161 PolarHBondContact N-O 3.49Å; L109-I162 HydrophobicContact CB-CB 4.01Å; L109-I162 HydrophobicContact CB-CD1 3.92Å; L109-I162 HydrophobicContact CB-CG1 4.11Å; L109-I162 HydrophobicContact CD1-CB 4.4Å
110D96.4Very high94.9Very high122 Ų12267.7 Ų67.765%0.65236%0.357SS*.  trans-93.3-15.9-174.363.4-0.2000113.9S166D110-S166 VanDerWaalsContact O-CB 3.3Å; D110-S166 WeakPolarHBondContact O-CB 3.47Å; D110-S166 PolarHBondContact O-OG 3.46Å; D110-S166 VanDerWaalsContact O-OG 3.13Å
111S97.6Very high95.7Very high37 Ų3773.6 Ų73.626%0.25938%0.376SS..SBendtrans-154.1157.1-169.660.20000112.8E113 A114 F115 S166S111-E113 PolarHBondContact O-N 2.68Å; S111-A114 PolarHBondContact O-N 2.82Å; S111-A114 WeakPolarHBondContact OG-CB 3.15Å; S111-A114 PolarHBondContact OG-N 3.34Å; S111-F115 PolarHBondContact O-N 3.43Å; S111-S166 CarbonylContact C-O 3.6Å; S111-S166 VanDerWaalsContact CA-O 3.31Å; S111-S166 WeakPolarHBondContact CA-O 3.45Å
112G96.3Very high95.9Very high21 Ų2173.5 Ų73.522%0.21637%0.371CS..Hα-helixtrans-61.2-28.317100000113.4F115 L116 S166G112-F115 WeakPolarHBondContact O-CB 3.41Å; G112-F115 PolarHBondContact O-N 2.67Å; G112-L116 WeakPolarHBondContact O-CG 3.13Å; G112-L116 PolarHBondContact O-N 3.02Å; G112-S166 PolarHBondContact N-O 3.48Å
113E97.1Very high96Very high160 Ų16069.2 Ų69.275%0.74835%0.354SS*.Hα-helixtrans-67.3-45.4173.5-66.6-175.4174.500111.4S111 F115 L116 E117S111-E113 PolarHBondContact O-N 2.68Å; E113-F115 VanDerWaalsContact C-N 3.28Å; E113-F115 PolarHBondContact O-N 3.14Å; E113-L116 PolarHBondContact O-N 3.3Å; E113-E117 WeakPolarHBondContact O-CB 3.41Å; E113-E117 PolarHBondContact O-N 2.84Å
114A97.6Very high95.8Very high21 Ų2174.1 Ų74.117%0.17438%0.376CS..Hα-helixtrans-61.2-38.4174.200000111.8L109 S111 E117 V118L109-A114 HydrophobicContact CD2-CB 4.42Å; S111-A114 PolarHBondContact O-N 2.82Å; S111-A114 WeakPolarHBondContact OG-CB 3.15Å; S111-A114 PolarHBondContact OG-N 3.34Å; A114-E117 PolarHBondContact O-N 3.27Å; A114-V118 WeakPolarHBondContact O-CG2 3.36Å; A114-V118 PolarHBondContact O-N 2.69Å; A114-V118 VanDerWaalsContact O-N 3.08Å
115F97.3Very high95.7Very high26 Ų2666.8 Ų66.811%0.11435%0.346CS..Hα-helixtrans-58.8-49.6172.5176.5-82000112.3L109 S111 G112 E113 V118 I119 V130 I162 L182 Y184L109-F115 HydrophobicContact CD1-CB 4.16Å; L109-F115 HydrophobicContact CD1-CD2 4.1Å; S111-F115 PolarHBondContact O-N 3.43Å; G112-F115 WeakPolarHBondContact O-CB 3.41Å; G112-F115 PolarHBondContact O-N 2.67Å; E113-F115 VanDerWaalsContact C-N 3.28Å; E113-F115 PolarHBondContact O-N 3.14Å; F115-V118 PolarHBondContact O-N 3.31Å; F115-I119 HydrophobicContact CE1-CD1 4.1Å; F115-I119 HydrophobicContact CE1-CG2 4.46Å; F115-I119 PolarHBondContact O-N 2.66Å; F115-V130 HydrophobicContact CD2-CG1 3.84Å; F115-V130 HydrophobicContact CD2-CG2 4.37Å; F115-V130 HydrophobicContact CE2-CB 3.91Å; F115-V130 HydrophobicContact CE2-CG1 3.63Å; F115-V130 HydrophobicContact CE2-CG2 3.89Å; F115-I162 HydrophobicContact CB-CD1 4.07Å; F115-I162 HydrophobicContact CD2-CG2 4.43Å; F115-L182 HydrophobicContact CE2-CD1 4.29Å; F115-L182 HydrophobicContact CZ-CD1 3.96Å; F115-Y184 AromaticContact CZ-CE2 3.79Å; F115-Y184 HydrophobicContact CZ-CE2 3.79Å; F115-Y184 AromaticContact CZ-CZ 3.94Å
116L96.3Very high95.6Very high85 Ų8565.7 Ų65.745%0.44533%0.334SS..Hα-helixtrans-63.9-41.4179.1-70.9174.6000112G112 E113 V118 I119 E120G112-L116 WeakPolarHBondContact O-CG 3.13Å; G112-L116 PolarHBondContact O-N 3.02Å; E113-L116 PolarHBondContact O-N 3.3Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 2.97Å; L116-I119 HydrophobicContact CD2-CD1 3.97Å; L116-I119 WeakPolarHBondContact O-CG1 3.39Å; L116-I119 PolarHBondContact O-N 2.98Å; L116-E120 WeakPolarHBondContact O-CB 3.48Å; L116-E120 WeakPolarHBondContact O-CG 3.47Å; L116-E120 PolarHBondContact O-N 3.07Å
117E96.7Very high95.5Very high100 Ų10065.3 Ų65.347%0.46733%0.332SS..Hα-helixtrans-60.1-42.7177.7176.9161.8-145.100112.1E113 A114 I119 K121E113-E117 WeakPolarHBondContact O-CB 3.41Å; E113-E117 PolarHBondContact O-N 2.84Å; A114-E117 PolarHBondContact O-N 3.27Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 2.99Å; E117-K121 HydrophobicContact CG-CD 3.88Å; E117-K121 HydrophobicContact CG-CG 4.35Å; E117-K121 WeakPolarHBondContact O-CB 3.38Å; E117-K121 PolarHBondContact O-N 3.08Å; E117-K121 IonicContact OE1-NZ 3.67Å; E117-K121 PolarHBondContact OE1-NZ 3.39Å
118V95.9Very high95.5Very high18 Ų1862.2 Ų62.211%0.10932%0.318CS..Hα-helixtrans-66-32178.9167.40000112.5L109 A114 F115 L116 E122 V128 K158L109-V118 HydrophobicContact CD2-CG2 3.85Å; A114-V118 WeakPolarHBondContact O-CG2 3.36Å; A114-V118 PolarHBondContact O-N 2.69Å; A114-V118 VanDerWaalsContact O-N 3.08Å; F115-V118 PolarHBondContact O-N 3.31Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 2.97Å; V118-E122 WeakPolarHBondContact O-CB 3.45Å; V118-V128 HydrophobicContact CG1-CG1 3.74Å; V118-K158 HydrophobicContact CG1-CD 3.95Å
119I94Very high95.5Very high20 Ų2057.6 Ų57.610%0.10329%0.293CS..Hα-helixtrans-83.9-34.3178.163170.1000112.8F115 L116 E117 Y184F115-I119 HydrophobicContact CE1-CD1 4.1Å; F115-I119 HydrophobicContact CE1-CG2 4.46Å; F115-I119 PolarHBondContact O-N 2.66Å; L116-I119 HydrophobicContact CD2-CD1 3.97Å; L116-I119 WeakPolarHBondContact O-CG1 3.39Å; L116-I119 PolarHBondContact O-N 2.98Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 2.99Å; I119-Y184 HydrophobicContact CB-CD1 4.37Å; I119-Y184 HydrophobicContact CB-CG 4.43Å; I119-Y184 HydrophobicContact CD1-CE1 4.14Å; I119-Y184 HydrophobicContact CG2-CD1 4.12Å; I119-Y184 HydrophobicContact CG2-CD2 3.8Å; I119-Y184 HydrophobicContact CG2-CE1 4.37Å; I119-Y184 HydrophobicContact CG2-CE2 4.08Å; I119-Y184 HydrophobicContact CG2-CG 3.82Å
120E93.6Very high95.5Very high140 Ų14056.8 Ų56.865%0.65429%0.289SS*.Hα-helixtrans-85.7-35-172.7-71.8-177.9174.600113.3L116L116-E120 WeakPolarHBondContact O-CB 3.48Å; L116-E120 WeakPolarHBondContact O-CG 3.47Å; L116-E120 PolarHBondContact O-N 3.07Å
121K93.6Very high95.6Very high150 Ų15051 Ų5165%0.65226%0.258SS*.SBendtrans-100.5-4.3-173-57.3-169.9-164.9164.20114E117E117-K121 HydrophobicContact CG-CD 3.88Å; E117-K121 HydrophobicContact CG-CG 4.35Å; E117-K121 WeakPolarHBondContact O-CB 3.38Å; E117-K121 PolarHBondContact O-N 3.08Å; E117-K121 IonicContact OE1-NZ 3.67Å; E117-K121 PolarHBondContact OE1-NZ 3.39Å
122E94.7Very high95.7Very high44 Ų4449.3 Ų49.321%0.20625%0.246CC..SBendtrans-73.2154.6-178.2-16757.7-102.600112V118 H124 T126 V128 K158V118-E122 WeakPolarHBondContact O-CB 3.45Å; E122-H124 PolarHBondContact O-N 3.27Å; E122-T126 HydrophobicContact CG-CG2 3.7Å; E122-V128 HydrophobicContact CB-CG2 4.26Å; E122-V128 HydrophobicContact CG-CG2 3.88Å; E122-K158 HydrophobicContact CG-CD 4.43Å; E122-K158 WeakPolarHBondContact OE2-CD 3.33Å; E122-K158 WeakPolarHBondContact OE2-CE 3.28Å; E122-K158 IonicContact OE2-NZ 2.68Å; E122-K158 PolarHBondContact OE2-NZ 3.41Å
123H93.4Very high95.8Very high62 Ų6250.1 Ų50.129%0.28724%0.243SC..  trans-59.4136.6179.6-171.6-92.1000111.3P101 S125 T126P101-H123 HydrophobicContact CG-CB 4.04Å; H123-S125 PolarHBondContact CE1-OG 3.22Å; H123-S125 PolarHBondContact ND1-N 2.82Å; H123-S125 PolarHBondContact ND1-OG 3.07Å; H123-S125 PolarHBondContact O-N 3.07Å; H123-T126 VanDerWaalsContact O-CB 3.26Å; H123-T126 WeakPolarHBondContact O-CB 3.46Å; H123-T126 PolarHBondContact O-N 2.78Å; H123-T126 PolarHBondContact O-OG1 2.71Å
124H90.8Very high95.8Very high128 Ų12846.1 Ų46.159%0.59322%0.223SC*.THydrogen-bonded Turntrans-62.3-22-171.965.877.4000114.6E122 A186E122-H124 PolarHBondContact O-N 3.27Å; H124-A186 HydrophobicContact CB-CB 4.15Å
125S89.7Confident95.7Very high35 Ų3549.9 Ų49.925%0.24524%0.243CC..THydrogen-bonded Turntrans-82.4-19.7174.767.80000113.3F99 H123 K185F99-S125 PolarHBondContact O-OG 3.07Å; H123-S125 PolarHBondContact CE1-OG 3.22Å; H123-S125 PolarHBondContact ND1-N 2.82Å; H123-S125 PolarHBondContact ND1-OG 3.07Å; H123-S125 PolarHBondContact O-N 3.07Å; S125-K185 WeakPolarHBondContact O-CE 3.35Å
126T93.9Very high95.6Very high4 Ų452.2 Ų52.23%0.02528%0.275CS..  trans-72.4132.4-176.8-57.60000110.5P101 F103 E122 H123 V128 K158P101-T126 WeakPolarHBondContact CG-OG1 3.35Å; F103-T126 HydrophobicContact CE2-CG2 3.6Å; F103-T126 HydrophobicContact CZ-CG2 3.82Å; E122-T126 HydrophobicContact CG-CG2 3.7Å; H123-T126 VanDerWaalsContact O-CB 3.26Å; H123-T126 WeakPolarHBondContact O-CB 3.46Å; H123-T126 PolarHBondContact O-N 2.78Å; H123-T126 PolarHBondContact O-OG1 2.71Å; T126-V128 HydrophobicContact CG2-CG2 4.28Å; T126-K158 HydrophobicContact CG2-CB 4.01Å
127V96.4Very high95.5Very high15 Ų1549.1 Ų49.19%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-87.6130.1164.8179.80000108V129 V157 K158 V183 Y184 K185V127-V129 HydrophobicContact CG1-CG2 4.23Å; V127-V157 HydrophobicContact CB-CG1 4.29Å; V127-V157 HydrophobicContact CB-CG2 4.46Å; V127-V157 HydrophobicContact CG1-CG1 4.36Å; V127-V157 WeakPolarHBondContact O-CG1 3.14Å; V127-K158 PolarHBondContact O-N 2.81Å; V127-V183 HydrophobicContact CG1-CG1 3.53Å; V127-Y184 WeakPolarHBondContact CA-O 3.49Å; V127-K185 HydrophobicContact CG2-CD 4.14Å
128V98.1Very high95.5Very high4 Ų451.2 Ų51.22%0.02427%0.267CS..EExtended strand (participates in β ladder)trans-110.2119176-177.30000108.4V118 E122 T126 V130 K158 V183 Y184V118-V128 HydrophobicContact CG1-CG1 3.74Å; E122-V128 HydrophobicContact CB-CG2 4.26Å; E122-V128 HydrophobicContact CG-CG2 3.88Å; T126-V128 HydrophobicContact CG2-CG2 4.28Å; V128-V130 HydrophobicContact CG1-CG2 3.87Å; V128-K158 CarbonylContact C-O 3.51Å; V128-K158 WeakPolarHBondContact CA-O 3.37Å; V128-K158 HydrophobicContact CG2-CB 4.28Å; V128-V183 CarbonylContact O-C 3.57Å; V128-V183 WeakPolarHBondContact O-CA 3.46Å; V128-Y184 PolarHBondContact N-O 3.4Å; V128-Y184 PolarHBondContact O-N 2.94Å
129V98.6Very high95.5Very high0 Ų051 Ų510%027%0.268CS..EExtended strand (participates in β ladder)trans-106.8116.8176.5178.90000108.1V127 V157 K158 F159 C160 L181 L182 V183V127-V129 HydrophobicContact CG1-CG2 4.23Å; V129-V157 HydrophobicContact CG2-CG1 3.81Å; V129-K158 PolarHBondContact N-O 2.98Å; V129-F159 HydrophobicContact CB-CD1 3.72Å; V129-F159 HydrophobicContact CB-CE1 3.97Å; V129-F159 HydrophobicContact CG1-CD1 3.95Å; V129-F159 HydrophobicContact CG1-CE1 4.14Å; V129-F159 HydrophobicContact CG2-CD1 4.25Å; V129-F159 HydrophobicContact CG2-CE1 4Å; V129-F159 CarbonylContact O-C 3.57Å; V129-F159 WeakPolarHBondContact O-CA 3.39Å; V129-C160 PolarHBondContact O-N 2.98Å; V129-L181 HydrophobicContact CG1-CD1 3.62Å; V129-L181 HydrophobicContact CG1-CD2 4.12Å; V129-L181 HydrophobicContact CG1-CG 3.9Å; V129-L182 CarbonylContact C-O 3.34Å; V129-L182 WeakPolarHBondContact CA-O 3.43Å; V129-V183 HydrophobicContact CG1-CG2 4.48Å; V129-V183 HydrophobicContact CG2-CG1 4.19Å; V129-V183 HydrophobicContact CG2-CG2 4.27Å
130V98.6Very high95.6Very high0 Ų050 Ų500%026%0.263CS..EExtended strand (participates in β ladder)trans-113.4119.9179.3-167.20000110.9L109 F115 V128 C160 I162 L182L109-V130 HydrophobicContact CD1-CG1 4.22Å; F115-V130 HydrophobicContact CD2-CG1 3.84Å; F115-V130 HydrophobicContact CD2-CG2 4.37Å; F115-V130 HydrophobicContact CE2-CB 3.91Å; F115-V130 HydrophobicContact CE2-CG1 3.63Å; F115-V130 HydrophobicContact CE2-CG2 3.89Å; V128-V130 HydrophobicContact CG1-CG2 3.87Å; V130-C160 WeakPolarHBondContact CA-O 3.06Å; V130-C160 HydrophobicContact CG1-CB 4.23Å; V130-C160 HydrophobicContact CG2-CB 4.22Å; V130-I162 HydrophobicContact CG1-CG2 3.96Å; V130-L182 PolarHBondContact N-O 3.39Å; V130-L182 PolarHBondContact O-N 3.16Å
131H98.6Very high95.8Very high0 Ų048 Ų480%025%0.253CS..EExtended strand (participates in β ladder)trans-91.1112.5170.5174.8-149.1000110.4Y133 C140 N144 L147 C160 R161 I162 P179 L181H131-Y133 WeakPolarHBondContact CE1-CB 3.23Å; H131-Y133 WeakPolarHBondContact NE2-CB 3.49Å; H131-C140 PolarHBondContact CE1-O 2.88Å; H131-N144 PolarHBondContact CE1-OD1 2.78Å; H131-N144 PolarHBondContact ND1-OD1 3.17Å; H131-L147 HydrophobicContact CB-CD1 3.55Å; H131-C160 PolarHBondContact N-O 2.76Å; H131-R161 HydrophobicContact CB-CB 4.21Å; H131-R161 CarbonylContact O-C 3.59Å; H131-R161 VanDerWaalsContact O-CA 3.23Å; H131-R161 WeakPolarHBondContact O-CA 3.38Å; H131-I162 PolarHBondContact O-N 2.86Å; H131-P179 WeakPolarHBondContact NE2-CB 3.42Å; H131-L181 HydrophobicContact CB-CD1 4.09Å
132I98.4Very high96Very high3 Ų343.8 Ų43.82%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-90.1120.3169.5-52.5179.6000107I162 A164 F173 L178 T180 L182I132-I162 WeakPolarHBondContact CA-O 3.15Å; I132-I162 HydrophobicContact CB-CG2 4.3Å; I132-I162 HydrophobicContact CG1-CG2 3.76Å; I132-I162 HydrophobicContact CG2-CG2 4.42Å; I132-A164 HydrophobicContact CG2-CB 4.16Å; I132-F173 HydrophobicContact CD1-CD1 4.38Å; I132-F173 HydrophobicContact CD1-CD2 4.35Å; I132-F173 HydrophobicContact CD1-CE1 3.69Å; I132-F173 HydrophobicContact CD1-CE2 3.64Å; I132-F173 HydrophobicContact CD1-CZ 3.27Å; I132-F173 HydrophobicContact CG2-CB 4.47Å; I132-F173 HydrophobicContact CG2-CD1 4.25Å; I132-F173 HydrophobicContact CG2-CD2 4.11Å; I132-F173 HydrophobicContact CG2-CE2 4.42Å; I132-F173 HydrophobicContact CG2-CG 4.02Å; I132-L178 HydrophobicContact CG2-CD2 4.16Å; I132-L178 VanDerWaalsContact O-CD2 3.24Å; I132-L178 WeakPolarHBondContact O-CD2 3.46Å; I132-T180 PolarHBondContact N-O 3.01Å; I132-T180 PolarHBondContact O-N 3.39Å; I132-T180 VanDerWaalsContact O-N 3.09Å; I132-L182 HydrophobicContact CD1-CD1 3.61Å; I132-L182 HydrophobicContact CD1-CG 4.18Å; I132-L182 HydrophobicContact CG1-CD1 4.46Å
133Y97.9Very high96.1Very high38 Ų3841.7 Ų41.715%0.14923%0.227CC..EExtended strand (participates in β ladder)trans-132.8168.2-170.578.9-85.9000112.2H131 V135 R161 I162 D163 A164H131-Y133 WeakPolarHBondContact CE1-CB 3.23Å; H131-Y133 WeakPolarHBondContact NE2-CB 3.49Å; Y133-V135 HydrophobicContact CE2-CG2 4.18Å; Y133-R161 HydrophobicContact CD1-CB 4.02Å; Y133-R161 HydrophobicContact CE1-CB 3.96Å; Y133-R161 HydrophobicContact CE1-CG 4.01Å; Y133-I162 VanDerWaalsContact CD1-C 3.49Å; Y133-I162 WeakPolarHBondContact CD1-O 3.4Å; Y133-I162 VanDerWaalsContact CE1-C 3.45Å; Y133-I162 PolarHBondContact N-O 3.19Å; Y133-D163 CarbonylContact O-C 3.56Å; Y133-D163 WeakPolarHBondContact O-CA 3.12Å; Y133-A164 PolarHBondContact O-N 2.89Å
134K97.1Very high96.3Very high75 Ų7539.2 Ų39.233%0.32622%0.215SC..  trans-145.4132.1170-179.3179.6171.9-170.50109.3G136 V137 D175 L178K134-G136 PolarHBondContact O-N 3.23Å; K134-V137 HydrophobicContact CB-CG2 3.89Å; K134-V137 HydrophobicContact CD-CG2 4.05Å; K134-V137 HydrophobicContact CG-CG2 4.14Å; K134-V137 PolarHBondContact O-N 3.34Å; K134-D175 WeakPolarHBondContact CD-OD1 3.15Å; K134-D175 IonicContact NZ-OD1 3.25Å; K134-D175 PolarHBondContact NZ-OD1 3.2Å; K134-D175 IonicContact NZ-OD2 3.97Å; K134-L178 HydrophobicContact CB-CD1 3.49Å; K134-L178 VanDerWaalsContact CB-CD1 3.49Å; K134-L178 HydrophobicContact CD-CD1 4.23Å
135V95.5Very high96.7Very high100 Ų10036.5 Ų36.561%0.60621%0.211SC*.THydrogen-bonded Turntrans-59.2132.7179.4-178.90000110.1Y133 V137Y133-V135 HydrophobicContact CE2-CG2 4.18Å; V135-V137 VanDerWaalsContact C-N 3.35Å
136G95.1Very high97.1Very high75 Ų7535.1 Ų35.177%0.77320%0.201SC*.THydrogen-bonded Turntrans87.1-7.2-179.800000115.3K134K134-G136 PolarHBondContact O-N 3.23Å
137V95.9Very high97.3Very high20 Ų2035 Ų3512%0.12120%0.2CC..SBendtrans-80.1132.9169.8177.40000109.7K134 V135 G139 C140 D175 L178K134-V137 HydrophobicContact CB-CG2 3.89Å; K134-V137 HydrophobicContact CD-CG2 4.05Å; K134-V137 HydrophobicContact CG-CG2 4.14Å; K134-V137 PolarHBondContact O-N 3.34Å; V135-V137 VanDerWaalsContact C-N 3.35Å; V137-G139 PolarHBondContact O-N 3.31Å; V137-C140 WeakPolarHBondContact O-CB 3.26Å; V137-C140 PolarHBondContact O-N 3.01Å; V137-D175 HydrophobicContact CG2-CB 4.17Å; V137-L178 HydrophobicContact CG1-CB 3.94Å; V137-L178 HydrophobicContact CG2-CD1 4.46Å
138K95.4Very high97.4Very high145 Ų14537.5 Ų37.563%0.6321%0.213SC*.THydrogen-bonded Turntrans-56.3134.5-177.9-172.1-178.5-178.4-178.40110.7C140 E202K138-C140 VanDerWaalsContact C-N 3.28Å; K138-C140 PolarHBondContact O-N 3.29Å; K138-E202 IonicContact NZ-OE1 2.98Å; K138-E202 PolarHBondContact NZ-OE1 2.99Å
139G95.7Very high97.3Very high12 Ų1240.1 Ų40.112%0.12423%0.231CC..THydrogen-bonded Turntrans84.2-17.8177.200000115.4V137 Q142 L143V137-G139 PolarHBondContact O-N 3.31Å; G139-Q142 PolarHBondContact O-N 3.37Å; G139-L143 VanDerWaalsContact O-CB 3.3Å; G139-L143 WeakPolarHBondContact O-CB 3.45Å; G139-L143 PolarHBondContact O-N 2.9Å
140C97.3Very high97.3Very high0 Ų040.1 Ų40.10%023%0.231CC..Hα-helixtrans-61.3-50.5178.8-74.90000112.1H131 V137 K138 Q142 L143 N144H131-C140 PolarHBondContact CE1-O 2.88Å; V137-C140 WeakPolarHBondContact O-CB 3.26Å; V137-C140 PolarHBondContact O-N 3.01Å; K138-C140 VanDerWaalsContact C-N 3.28Å; K138-C140 PolarHBondContact O-N 3.29Å; C140-Q142 PolarHBondContact O-N 3.04Å; C140-L143 PolarHBondContact O-N 3.42Å; C140-N144 PolarHBondContact O-N 3.39Å; C140-N144 PolarHBondContact O-ND2 3.46Å
141E97Very high97.2Very high97 Ų9740.3 Ų40.345%0.45323%0.233SC..Hα-helixtrans-66.6-37.5-179.3-60.3-57.2162.800112.6N144 S145E141-N144 WeakPolarHBondContact O-CB 3.43Å; E141-N144 PolarHBondContact O-N 3.15Å; E141-N144 PolarHBondContact OE2-ND2 3.19Å; E141-S145 PolarHBondContact O-N 2.86Å; E141-S145 VanDerWaalsContact O-N 3.11Å; E141-S145 PolarHBondContact O-OG 3.44Å
142Q97.3Very high97Very high62 Ų6245.4 Ų45.429%0.2926%0.264SS..Hα-helixtrans-65.6-42.1176.3-172.9164.223.100111.2G139 C140 S145 C146 F204G139-Q142 PolarHBondContact O-N 3.37Å; C140-Q142 PolarHBondContact O-N 3.04Å; Q142-S145 PolarHBondContact O-N 3.42Å; Q142-C146 PolarHBondContact O-N 3.18Å; Q142-C146 PolarHBondContact O-SG 3.4Å; Q142-F204 HydrophobicContact CB-CE1 4.1Å; Q142-F204 HydrophobicContact CB-CE2 4.35Å; Q142-F204 HydrophobicContact CB-CZ 3.76Å; Q142-F204 HydrophobicContact CG-CD1 4.24Å; Q142-F204 HydrophobicContact CG-CD2 4.24Å; Q142-F204 HydrophobicContact CG-CE1 3.84Å; Q142-F204 HydrophobicContact CG-CE2 3.86Å; Q142-F204 HydrophobicContact CG-CG 4.42Å; Q142-F204 HydrophobicContact CG-CZ 3.64Å; Q142-F204 WeakPolarHBondContact CG-O 3.43Å; Q142-F204 VanDerWaalsContact NE2-N 3.14Å; Q142-F204 PolarHBondContact NE2-O 3.19Å
143L98Very high96.8Very high1 Ų149.2 Ų49.21%0.00528%0.282CS..Hα-helixtrans-65.5-38.4175.5-173.856.6000111.5G139 C140 S145 C146 L147 P179 C196 F204 V209G139-L143 VanDerWaalsContact O-CB 3.3Å; G139-L143 WeakPolarHBondContact O-CB 3.45Å; G139-L143 PolarHBondContact O-N 2.9Å; C140-L143 PolarHBondContact O-N 3.42Å; L143-S145 PolarHBondContact O-N 3.09Å; L143-C146 WeakPolarHBondContact O-CB 3.34Å; L143-C146 PolarHBondContact O-N 3.44Å; L143-L147 HydrophobicContact CD1-CD2 4.44Å; L143-L147 HydrophobicContact CD1-CG 4.34Å; L143-L147 HydrophobicContact CG-CG 4.46Å; L143-L147 WeakPolarHBondContact O-CG 3.12Å; L143-L147 PolarHBondContact O-N 3.39Å; L143-P179 HydrophobicContact CD2-CB 3.91Å; L143-P179 HydrophobicContact CD2-CG 4.11Å; L143-C196 VanDerWaalsContact CD2-SG 3.58Å; L143-F204 HydrophobicContact CB-CE2 4.24Å; L143-F204 HydrophobicContact CB-CZ 4.13Å; L143-F204 HydrophobicContact CD1-CE2 4.27Å; L143-V209 HydrophobicContact CD1-CG1 3.99Å; L143-V209 HydrophobicContact CD1-CG2 3.76Å
144N97.9Very high96.7Very high9 Ų947.7 Ų47.75%0.04828%0.276CS..Hα-helixtrans-54.9-50.5172.1-75.6-26.1000111.5H131 C140 E141 C146 L147 D148 R161H131-N144 PolarHBondContact CE1-OD1 2.78Å; H131-N144 PolarHBondContact ND1-OD1 3.17Å; C140-N144 PolarHBondContact O-N 3.39Å; C140-N144 PolarHBondContact O-ND2 3.46Å; E141-N144 WeakPolarHBondContact O-CB 3.43Å; E141-N144 PolarHBondContact O-N 3.15Å; E141-N144 PolarHBondContact OE2-ND2 3.19Å; N144-C146 VanDerWaalsContact C-N 3.32Å; N144-C146 PolarHBondContact O-N 3.39Å; N144-L147 PolarHBondContact O-N 3.31Å; N144-D148 PolarHBondContact O-N 3.38Å; N144-R161 WeakPolarHBondContact OD1-CD 3.49Å
145S97.9Very high96.5Very high72 Ų7246.2 Ų46.250%0.50327%0.274SS..Hα-helixtrans-63.3-36.3177.5-590000113E141 Q142 L143 D148 C149E141-S145 PolarHBondContact O-N 2.86Å; E141-S145 VanDerWaalsContact O-N 3.11Å; E141-S145 PolarHBondContact O-OG 3.44Å; Q142-S145 PolarHBondContact O-N 3.42Å; L143-S145 PolarHBondContact O-N 3.09Å; S145-D148 PolarHBondContact O-N 3.42Å; S145-C149 PolarHBondContact O-N 3.43Å
146C98.1Very high96.5Very high6 Ų643.4 Ų43.44%0.04126%0.257CS..Hα-helixtrans-64.8-42.1175.4-66.40000111.7Q142 L143 N144 D148 C149 L150 A206 V209Q142-C146 PolarHBondContact O-N 3.18Å; Q142-C146 PolarHBondContact O-SG 3.4Å; L143-C146 WeakPolarHBondContact O-CB 3.34Å; L143-C146 PolarHBondContact O-N 3.44Å; N144-C146 VanDerWaalsContact C-N 3.32Å; N144-C146 PolarHBondContact O-N 3.39Å; C146-D148 VanDerWaalsContact C-N 3.33Å; C146-C149 WeakPolarHBondContact O-CB 3.31Å; C146-C149 PolarHBondContact O-N 3.31Å; C146-L150 WeakPolarHBondContact O-CG 3.47Å; C146-L150 PolarHBondContact O-N 3.47Å; C146-A206 HydrophobicContact CB-CB 4.39Å; C146-A206 PolarHBondContact SG-N 3.14Å; C146-A206 VanDerWaalsContact SG-N 3.44Å; C146-V209 HydrophobicContact CB-CB 4.5Å; C146-V209 HydrophobicContact CB-CG2 3.77Å
147L98.2Very high96.5Very high0 Ų040 Ų400%022%0.221CC..Hα-helixtrans-67.2-33.7177.4-65.9-173.2000112.2V106 H131 L143 N144 C149 L150 A151 F159 L181 V209V106-L147 HydrophobicContact CG2-CB 3.96Å; V106-L147 WeakPolarHBondContact CG2-O 3.28Å; H131-L147 HydrophobicContact CB-CD1 3.55Å; L143-L147 HydrophobicContact CD1-CD2 4.44Å; L143-L147 HydrophobicContact CD1-CG 4.34Å; L143-L147 HydrophobicContact CG-CG 4.46Å; L143-L147 WeakPolarHBondContact O-CG 3.12Å; L143-L147 PolarHBondContact O-N 3.39Å; N144-L147 PolarHBondContact O-N 3.31Å; L147-C149 VanDerWaalsContact C-N 3.29Å; L147-C149 PolarHBondContact O-N 3.26Å; L147-L150 HydrophobicContact CD2-CD1 4.18Å; L147-L150 PolarHBondContact O-N 3.21Å; L147-A151 WeakPolarHBondContact O-CB 3.17Å; L147-A151 PolarHBondContact O-N 3.45Å; L147-F159 HydrophobicContact CD2-CD1 3.8Å; L147-F159 HydrophobicContact CD2-CE1 4.01Å; L147-L181 HydrophobicContact CD1-CD1 4.42Å; L147-V209 HydrophobicContact CD2-CG1 4.42Å
148D98.1Very high96.6Very high68 Ų6840.2 Ų40.236%0.36422%0.22SC..Hα-helixtrans-59.2-41.6172.9-68.3-35.2000111.2V106 N144 S145 C146 R161V106-D148 WeakPolarHBondContact CG2-OD1 3.35Å; N144-D148 PolarHBondContact O-N 3.38Å; S145-D148 PolarHBondContact O-N 3.42Å; C146-D148 VanDerWaalsContact C-N 3.33Å; D148-R161 IonicContact OD1-NH1 3.7Å; D148-R161 IonicContact OD2-NH1 3.64Å
149C97.7Very high96.7Very high60 Ų6033.3 Ų33.341%0.40519%0.19SC..Hα-helixtrans-66.5-49.4173.2-62.70000111.9S145 C146 L147 A151 T152 E153 A206S145-C149 PolarHBondContact O-N 3.43Å; C146-C149 WeakPolarHBondContact O-CB 3.31Å; C146-C149 PolarHBondContact O-N 3.31Å; L147-C149 VanDerWaalsContact C-N 3.29Å; L147-C149 PolarHBondContact O-N 3.26Å; C149-A151 VanDerWaalsContact C-N 3.28Å; C149-A151 PolarHBondContact O-N 3.39Å; C149-T152 PolarHBondContact O-N 2.96Å; C149-T152 PolarHBondContact O-OG1 3.49Å; C149-E153 PolarHBondContact O-N 2.84Å; C149-A206 HydrophobicContact CB-CB 3.67Å
150L97.4Very high96.9Very high0 Ų032.8 Ų32.80%019%0.185CC..Hα-helixtrans-63.3-33-177-69.6175.9000113C146 L147 T152 E153 Y154 F159 A206 V209 E210C146-L150 WeakPolarHBondContact O-CG 3.47Å; C146-L150 PolarHBondContact O-N 3.47Å; L147-L150 HydrophobicContact CD2-CD1 4.18Å; L147-L150 PolarHBondContact O-N 3.21Å; L150-T152 PolarHBondContact O-N 3.02Å; L150-E153 PolarHBondContact O-N 3.13Å; L150-E153 VanDerWaalsContact O-N 3.14Å; L150-Y154 HydrophobicContact CD2-CD2 4.19Å; L150-Y154 HydrophobicContact CD2-CE2 4.04Å; L150-Y154 WeakPolarHBondContact O-CB 3.19Å; L150-Y154 PolarHBondContact O-N 3.16Å; L150-F159 HydrophobicContact CB-CE1 4.17Å; L150-F159 HydrophobicContact CB-CE2 4.37Å; L150-F159 HydrophobicContact CB-CZ 3.88Å; L150-A206 HydrophobicContact CD2-CB 4.38Å; L150-A206 HydrophobicContact CG-CB 4.29Å; L150-V209 HydrophobicContact CD1-CB 3.88Å; L150-V209 HydrophobicContact CD1-CG1 3.64Å; L150-E210 HydrophobicContact CD2-CB 3.87Å; L150-E210 HydrophobicContact CD2-CG 4.48Å
151A97.3Very high96.9Very high4 Ų435 Ų353%0.03319%0.193CC..Hα-helixtrans-63.6-26.1175.700000112.8V106 L147 C149 F159V106-A151 HydrophobicContact CG2-CB 3.92Å; L147-A151 WeakPolarHBondContact O-CB 3.17Å; L147-A151 PolarHBondContact O-N 3.45Å; C149-A151 VanDerWaalsContact C-N 3.28Å; C149-A151 PolarHBondContact O-N 3.39Å; A151-F159 HydrophobicContact CB-CB 4.31Å; A151-F159 HydrophobicContact CB-CD2 3.74Å; A151-F159 HydrophobicContact CB-CE2 4.44Å; A151-F159 HydrophobicContact CB-CG 4.27Å
152T94.9Very high97Very high107 Ų10730.4 Ų30.466%0.65617%0.172SC*.Hα-helixtrans-79.8-33173.768.40000112.7C149 L150C149-T152 PolarHBondContact O-N 2.96Å; C149-T152 PolarHBondContact O-OG1 3.49Å; L150-T152 PolarHBondContact O-N 3.02Å
153E94.1Very high97Very high82 Ų8229.2 Ų29.238%0.38317%0.167SC..Hα-helixtrans-81.2-29-179.8-64.8-176.8-156.600112.9C149 L150 P155 K222C149-E153 PolarHBondContact O-N 2.84Å; L150-E153 PolarHBondContact O-N 3.13Å; L150-E153 VanDerWaalsContact O-N 3.14Å; E153-P155 VanDerWaalsContact C-CD 3.4Å; E153-P155 VanDerWaalsContact O-CD 3.28Å; E153-P155 WeakPolarHBondContact O-CD 3.26Å; E153-K222 WeakPolarHBondContact OE2-CE 3.4Å; E153-K222 IonicContact OE2-NZ 3.66Å; E153-K222 PolarHBondContact OE2-NZ 3.49Å
154Y94.8Very high96.9Very high6 Ų629.3 Ų29.32%0.02417%0.168CC..  trans-120.967.7-177.9-68.2-82.3000111.5L150 T156 V157 E210 L219 P220 K222L150-Y154 HydrophobicContact CD2-CD2 4.19Å; L150-Y154 HydrophobicContact CD2-CE2 4.04Å; L150-Y154 WeakPolarHBondContact O-CB 3.19Å; L150-Y154 PolarHBondContact O-N 3.16Å; Y154-T156 PolarHBondContact O-N 3.3Å; Y154-T156 VanDerWaalsContact O-N 3.07Å; Y154-V157 PolarHBondContact O-N 3.18Å; Y154-E210 HydrophobicContact CE2-CG 4.15Å; Y154-E210 PolarHBondContact OH-OE1 3.32Å; Y154-L219 HydrophobicContact CD1-CB 4.41Å; Y154-L219 HydrophobicContact CD1-CD2 4.43Å; Y154-L219 HydrophobicContact CD2-CD1 4.41Å; Y154-L219 HydrophobicContact CD2-CD2 4.47Å; Y154-L219 HydrophobicContact CE1-CB 3.91Å; Y154-L219 HydrophobicContact CE1-CD1 4.35Å; Y154-L219 HydrophobicContact CE1-CG 4.5Å; Y154-L219 HydrophobicContact CE2-CD1 3.82Å; Y154-L219 HydrophobicContact CG-CD2 4.34Å; Y154-P220 HydrophobicContact CD1-CG 4.05Å; Y154-P220 WeakPolarHBondContact CE1-O 3.49Å; Y154-K222 HydrophobicContact CE1-CG 3.77Å; Y154-K222 VanDerWaalsContact CZ-CE 3.41Å; Y154-K222 WeakPolarHBondContact OH-CE 3.16Å
155P93.8Very high96.8Very high45 Ų4533.7 Ų33.729%0.29220%0.195SC..THydrogen-bonded Turntrans-65.1-16.9-175.326.9-35.9000113.4K102 F103 E153K102-P155 CarbonylContact C-O 3.58Å; K102-P155 WeakPolarHBondContact CA-O 3.41Å; K102-P155 HydrophobicContact CB-CB 4.41Å; K102-P155 HydrophobicContact CD-CB 4.48Å; F103-P155 PolarHBondContact N-O 3.32Å; E153-P155 VanDerWaalsContact C-CD 3.4Å; E153-P155 VanDerWaalsContact O-CD 3.28Å; E153-P155 WeakPolarHBondContact O-CD 3.26Å
156T93.9Very high96.7Very high41 Ų4132.5 Ų32.525%0.25219%0.187SC..THydrogen-bonded Turntrans-86.7-5.6176.353.50000113.5K102 Y154K102-T156 HydrophobicContact CG-CG2 4.32Å; Y154-T156 PolarHBondContact O-N 3.3Å; Y154-T156 VanDerWaalsContact O-N 3.07Å
157V96Very high96.4Very high3 Ų333.2 Ų33.22%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-102133.91751800000108.3V127 V129 Y154 F159 L219 P220V127-V157 HydrophobicContact CB-CG1 4.29Å; V127-V157 HydrophobicContact CB-CG2 4.46Å; V127-V157 HydrophobicContact CG1-CG1 4.36Å; V127-V157 WeakPolarHBondContact O-CG1 3.14Å; V129-V157 HydrophobicContact CG2-CG1 3.81Å; Y154-V157 PolarHBondContact O-N 3.18Å; V157-F159 HydrophobicContact CB-CD2 4.28Å; V157-F159 HydrophobicContact CB-CE2 3.64Å; V157-F159 HydrophobicContact CB-CZ 4.05Å; V157-F159 HydrophobicContact CG1-CD2 4.07Å; V157-F159 HydrophobicContact CG1-CE1 4.15Å; V157-F159 HydrophobicContact CG1-CE2 3.59Å; V157-F159 HydrophobicContact CG1-CZ 3.64Å; V157-F159 PolarHBondContact O-N 3.24Å; V157-L219 HydrophobicContact CG1-CD2 4.45Å; V157-L219 HydrophobicContact CG2-CD2 4.18Å; V157-P220 HydrophobicContact CG2-CG 3.73Å
158K97.7Very high96.1Very high25 Ų2536.7 Ų36.711%0.10923%0.228CC..EExtended strand (participates in β ladder)trans-91.1107.5176.2-169.3174.8-170.21750109.7F103 V118 E122 T126 V127 V128 V129F103-K158 HydrophobicContact CD1-CB 4.22Å; F103-K158 HydrophobicContact CD1-CD 4.06Å; F103-K158 HydrophobicContact CD1-CG 3.87Å; F103-K158 HydrophobicContact CD2-CB 3.85Å; F103-K158 HydrophobicContact CD2-CG 4.37Å; F103-K158 HydrophobicContact CE1-CB 4.07Å; F103-K158 HydrophobicContact CE1-CD 3.6Å; F103-K158 HydrophobicContact CE1-CG 3.85Å; F103-K158 HydrophobicContact CE2-CB 3.7Å; F103-K158 HydrophobicContact CE2-CG 4.37Å; F103-K158 HydrophobicContact CG-CB 4.12Å; F103-K158 HydrophobicContact CG-CG 4.14Å; F103-K158 HydrophobicContact CZ-CB 3.81Å; F103-K158 HydrophobicContact CZ-CD 3.92Å; F103-K158 HydrophobicContact CZ-CG 4.11Å; V118-K158 HydrophobicContact CG1-CD 3.95Å; E122-K158 HydrophobicContact CG-CD 4.43Å; E122-K158 WeakPolarHBondContact OE2-CD 3.33Å; E122-K158 WeakPolarHBondContact OE2-CE 3.28Å; E122-K158 IonicContact OE2-NZ 2.68Å; E122-K158 PolarHBondContact OE2-NZ 3.41Å; T126-K158 HydrophobicContact CG2-CB 4.01Å; V127-K158 PolarHBondContact O-N 2.81Å; V128-K158 CarbonylContact C-O 3.51Å; V128-K158 WeakPolarHBondContact CA-O 3.37Å; V128-K158 HydrophobicContact CG2-CB 4.28Å; V129-K158 PolarHBondContact N-O 2.98Å
159F98.6Very high95.6Very high0 Ų035 Ų350%022%0.223CC..EExtended strand (participates in β ladder)trans-90.1133173.1-64.8-87.9000110.1V106 H107 V129 L147 L150 A151 V157 L219V106-F159 HydrophobicContact CB-CB 4.49Å; V106-F159 HydrophobicContact CG1-CB 4.39Å; V106-F159 HydrophobicContact CG2-CB 3.97Å; H107-F159 PolarHBondContact N-O 2.88Å; V129-F159 HydrophobicContact CB-CD1 3.72Å; V129-F159 HydrophobicContact CB-CE1 3.97Å; V129-F159 HydrophobicContact CG1-CD1 3.95Å; V129-F159 HydrophobicContact CG1-CE1 4.14Å; V129-F159 HydrophobicContact CG2-CD1 4.25Å; V129-F159 HydrophobicContact CG2-CE1 4Å; V129-F159 CarbonylContact O-C 3.57Å; V129-F159 WeakPolarHBondContact O-CA 3.39Å; L147-F159 HydrophobicContact CD2-CD1 3.8Å; L147-F159 HydrophobicContact CD2-CE1 4.01Å; L150-F159 HydrophobicContact CB-CE1 4.17Å; L150-F159 HydrophobicContact CB-CE2 4.37Å; L150-F159 HydrophobicContact CB-CZ 3.88Å; A151-F159 HydrophobicContact CB-CB 4.31Å; A151-F159 HydrophobicContact CB-CD2 3.74Å; A151-F159 HydrophobicContact CB-CE2 4.44Å; A151-F159 HydrophobicContact CB-CG 4.27Å; V157-F159 HydrophobicContact CB-CD2 4.28Å; V157-F159 HydrophobicContact CB-CE2 3.64Å; V157-F159 HydrophobicContact CB-CZ 4.05Å; V157-F159 HydrophobicContact CG1-CD2 4.07Å; V157-F159 HydrophobicContact CG1-CE1 4.15Å; V157-F159 HydrophobicContact CG1-CE2 3.59Å; V157-F159 HydrophobicContact CG1-CZ 3.64Å; V157-F159 PolarHBondContact O-N 3.24Å; F159-L219 HydrophobicContact CZ-CD2 4.12Å
160C98.6Very high95Very high0 Ų034.3 Ų34.30%022%0.222CC..EExtended strand (participates in β ladder)trans-132.9155.4176.8-58.10000110.5H107 L109 V129 V130 H131H107-C160 CarbonylContact O-C 3.6Å; H107-C160 WeakPolarHBondContact O-CA 3.17Å; L109-C160 HydrophobicContact CD1-CB 3.83Å; L109-C160 HydrophobicContact CG-CB 4.08Å; V129-C160 PolarHBondContact O-N 2.98Å; V130-C160 WeakPolarHBondContact CA-O 3.06Å; V130-C160 HydrophobicContact CG1-CB 4.23Å; V130-C160 HydrophobicContact CG2-CB 4.22Å; H131-C160 PolarHBondContact N-O 2.76Å
161R98.4Very high94.6Very high47 Ų4743.3 Ų43.318%0.17726%0.264CS..EExtended strand (participates in β ladder)trans-135.3147.3168.265.6-175.4179.9-144.5-11.1110.8V106 H107 D108 L109 H131 Y133 N144 D148V106-R161 HydrophobicContact CG1-CB 4.37Å; V106-R161 HydrophobicContact CG1-CG 4.05Å; H107-R161 PolarHBondContact O-N 2.67Å; D108-R161 VanDerWaalsContact OD1-CG 3.28Å; D108-R161 WeakPolarHBondContact OD1-CG 3.42Å; D108-R161 IonicContact OD1-CZ 3.6Å; D108-R161 IonicContact OD1-NE 3.33Å; D108-R161 PolarHBondContact OD1-NE 3.41Å; D108-R161 IonicContact OD1-NH2 2.68Å; D108-R161 PolarHBondContact OD1-NH2 3.29Å; D108-R161 IonicContact OD2-CZ 2.69Å; D108-R161 IonicContact OD2-NE 2.89Å; D108-R161 IonicContact OD2-NH2 3.45Å; D108-R161 PolarHBondContact OD2-NH2 3.29Å; L109-R161 PolarHBondContact N-O 3.49Å; H131-R161 HydrophobicContact CB-CB 4.21Å; H131-R161 CarbonylContact O-C 3.59Å; H131-R161 VanDerWaalsContact O-CA 3.23Å; H131-R161 WeakPolarHBondContact O-CA 3.38Å; Y133-R161 HydrophobicContact CD1-CB 4.02Å; Y133-R161 HydrophobicContact CE1-CB 3.96Å; Y133-R161 HydrophobicContact CE1-CG 4.01Å; N144-R161 WeakPolarHBondContact OD1-CD 3.49Å; D148-R161 IonicContact OD1-NH1 3.7Å; D148-R161 IonicContact OD2-NH1 3.64Å
162I98.4Very high94.3Very high1 Ų152.6 Ų52.61%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-144135.5-179.2-171.4163.8000110L109 F115 V130 H131 I132 Y133L109-I162 HydrophobicContact CB-CB 4.01Å; L109-I162 HydrophobicContact CB-CD1 3.92Å; L109-I162 HydrophobicContact CB-CG1 4.11Å; L109-I162 HydrophobicContact CD1-CB 4.4Å; F115-I162 HydrophobicContact CB-CD1 4.07Å; F115-I162 HydrophobicContact CD2-CG2 4.43Å; V130-I162 HydrophobicContact CG1-CG2 3.96Å; H131-I162 PolarHBondContact O-N 2.86Å; I132-I162 WeakPolarHBondContact CA-O 3.15Å; I132-I162 HydrophobicContact CB-CG2 4.3Å; I132-I162 HydrophobicContact CG1-CG2 3.76Å; I132-I162 HydrophobicContact CG2-CG2 4.42Å; Y133-I162 VanDerWaalsContact CD1-C 3.49Å; Y133-I162 WeakPolarHBondContact CD1-O 3.4Å; Y133-I162 VanDerWaalsContact CE1-C 3.45Å; Y133-I162 PolarHBondContact N-O 3.19Å
163D97.6Very high94.2Very high36 Ų3649.1 Ų49.119%0.19327%0.274CS..EExtended strand (participates in β ladder)trans-66.9138.8171.8-176.9-87.2000110Y133 V165 S166 S167Y133-D163 CarbonylContact O-C 3.56Å; Y133-D163 WeakPolarHBondContact O-CA 3.12Å; D163-V165 PolarHBondContact O-N 3.29Å; D163-V165 VanDerWaalsContact O-N 3.09Å; D163-V165 WeakPolarHBondContact OD1-CA 3.5Å; D163-V165 WeakPolarHBondContact OD1-CB 3.37Å; D163-V165 WeakPolarHBondContact OD1-CG2 3.32Å; D163-V165 PolarHBondContact OD1-N 3.05Å; D163-S166 WeakPolarHBondContact O-CA 3.38Å; D163-S166 WeakPolarHBondContact O-CB 3.5Å; D163-S166 PolarHBondContact O-N 3.5Å; D163-S167 PolarHBondContact O-N 3.29Å
164A96.7Very high94.2Very high3 Ų347.2 Ų47.23%0.02527%0.269CS..THydrogen-bonded Turntrans-54-32.5-178.700000112.5I132 Y133 S167 A170 F173 L178I132-A164 HydrophobicContact CG2-CB 4.16Å; Y133-A164 PolarHBondContact O-N 2.89Å; A164-S167 PolarHBondContact O-OG 3.09Å; A164-A170 WeakPolarHBondContact O-CA 3.22Å; A164-A170 PolarHBondContact O-N 3.48Å; A164-F173 HydrophobicContact CB-CB 4.01Å; A164-L178 HydrophobicContact CB-CD1 4.15Å
165V95.3Very high94.2Very high101 Ų10151 Ų5161%0.61229%0.29SS*.THydrogen-bonded Turntrans-72.2-47.9174.5-175.80000111.1D163 S167 G168 A170D163-V165 PolarHBondContact O-N 3.29Å; D163-V165 VanDerWaalsContact O-N 3.09Å; D163-V165 WeakPolarHBondContact OD1-CA 3.5Å; D163-V165 WeakPolarHBondContact OD1-CB 3.37Å; D163-V165 WeakPolarHBondContact OD1-CG2 3.32Å; D163-V165 PolarHBondContact OD1-N 3.05Å; V165-S167 PolarHBondContact O-N 3.01Å; V165-G168 PolarHBondContact O-N 3.47Å; V165-A170 HydrophobicContact CG2-CB 4.42Å
166S95.1Very high94.3Very high48 Ų4854.7 Ų54.734%0.33630%0.303SS..THydrogen-bonded Turntrans-59.3-28.5177.6-77.80000113.4D110 S111 G112 D163 G168D110-S166 VanDerWaalsContact O-CB 3.3Å; D110-S166 WeakPolarHBondContact O-CB 3.47Å; D110-S166 PolarHBondContact O-OG 3.46Å; D110-S166 VanDerWaalsContact O-OG 3.13Å; S111-S166 CarbonylContact C-O 3.6Å; S111-S166 VanDerWaalsContact CA-O 3.31Å; S111-S166 WeakPolarHBondContact CA-O 3.45Å; G112-S166 PolarHBondContact N-O 3.48Å; D163-S166 WeakPolarHBondContact O-CA 3.38Å; D163-S166 WeakPolarHBondContact O-CB 3.5Å; D163-S166 PolarHBondContact O-N 3.5Å; S166-G168 PolarHBondContact O-N 3.1Å; S166-G168 VanDerWaalsContact O-N 3.1Å
167S92.8Very high94.4Very high21 Ų2157 Ų5715%0.14731%0.308CS..THydrogen-bonded Turntrans-60.7-18.1174.879.50000114.2D163 A164 V165 A169D163-S167 PolarHBondContact O-N 3.29Å; A164-S167 PolarHBondContact O-OG 3.09Å; V165-S167 PolarHBondContact O-N 3.01Å; S167-A169 PolarHBondContact O-N 3.45Å; S167-A169 PolarHBondContact OG-N 3.2Å; S167-A169 VanDerWaalsContact OG-N 3.14Å
168G90.3Very high94.4Very high73 Ų7357.2 Ų57.275%0.75331%0.309SS*.THydrogen-bonded Turntrans75.95.9-17300000114V165 S166V165-G168 PolarHBondContact O-N 3.47Å; S166-G168 PolarHBondContact O-N 3.1Å; S166-G168 VanDerWaalsContact O-N 3.1Å
169A88.1Confident94.4Very high33 Ų3356 Ų5627%0.27330%0.304SS..  trans-127.532.1-176.600000113.1S167 E171 R172 F173S167-A169 PolarHBondContact O-N 3.45Å; S167-A169 PolarHBondContact OG-N 3.2Å; S167-A169 VanDerWaalsContact OG-N 3.14Å; A169-E171 PolarHBondContact O-N 3.47Å; A169-E171 VanDerWaalsContact O-N 3.1Å; A169-R172 HydrophobicContact CB-CB 4.38Å; A169-R172 HydrophobicContact CB-CG 4.45Å; A169-R172 WeakPolarHBondContact O-CA 3.33Å; A169-R172 WeakPolarHBondContact O-CB 3.45Å; A169-R172 PolarHBondContact O-N 3.39Å; A169-F173 HydrophobicContact CB-CD2 4.01Å; A169-F173 HydrophobicContact CB-CE2 3.86Å; A169-F173 WeakPolarHBondContact O-CD2 3.43Å; A169-F173 PolarHBondContact O-N 3.33Å
170A86.4Confident94.4Very high45 Ų4556 Ų5637%0.37230%0.304SS..G310 helixtrans-49.8-40-175.900000114.2A164 V165 R172 F173A164-A170 WeakPolarHBondContact O-CA 3.22Å; A164-A170 PolarHBondContact O-N 3.48Å; V165-A170 HydrophobicContact CG2-CB 4.42Å; A170-R172 PolarHBondContact O-N 3.07Å; A170-F173 CarbonylContact O-C 3.55Å; A170-F173 PolarHBondContact O-N 3.45Å; A170-F173 VanDerWaalsContact O-N 3.15Å
171E89Confident94.4Very high188 Ų18856.1 Ų56.188%0.87930%0.304SS*.G310 helixtrans-66.2-20.9178.7-62.9-174.8173.700113.6A169A169-E171 PolarHBondContact O-N 3.47Å; A169-E171 VanDerWaalsContact O-N 3.1Å
172R90.7Very high94.4Very high199 Ų19954.4 Ų54.475%0.75130%0.299SS*.G310 helixtrans-89.1-19176.4-57.7-61.1-175.2177.9-1.8112.6A169 A170A169-R172 HydrophobicContact CB-CB 4.38Å; A169-R172 HydrophobicContact CB-CG 4.45Å; A169-R172 WeakPolarHBondContact O-CA 3.33Å; A169-R172 WeakPolarHBondContact O-CB 3.45Å; A169-R172 PolarHBondContact O-N 3.39Å; A170-R172 PolarHBondContact O-N 3.07Å
173F92.8Very high94.4Very high35 Ų3554.4 Ų54.415%0.15430%0.299CS..SBendtrans-115.160.2-179.8-63.6-67.2000110.1I132 A164 A169 A170 L178 T180I132-F173 HydrophobicContact CD1-CD1 4.38Å; I132-F173 HydrophobicContact CD1-CD2 4.35Å; I132-F173 HydrophobicContact CD1-CE1 3.69Å; I132-F173 HydrophobicContact CD1-CE2 3.64Å; I132-F173 HydrophobicContact CD1-CZ 3.27Å; I132-F173 HydrophobicContact CG2-CB 4.47Å; I132-F173 HydrophobicContact CG2-CD1 4.25Å; I132-F173 HydrophobicContact CG2-CD2 4.11Å; I132-F173 HydrophobicContact CG2-CE2 4.42Å; I132-F173 HydrophobicContact CG2-CG 4.02Å; A164-F173 HydrophobicContact CB-CB 4.01Å; A169-F173 HydrophobicContact CB-CD2 4.01Å; A169-F173 HydrophobicContact CB-CE2 3.86Å; A169-F173 WeakPolarHBondContact O-CD2 3.43Å; A169-F173 PolarHBondContact O-N 3.33Å; A170-F173 CarbonylContact O-C 3.55Å; A170-F173 PolarHBondContact O-N 3.45Å; A170-F173 VanDerWaalsContact O-N 3.15Å; F173-L178 HydrophobicContact CB-CD2 4.17Å; F173-L178 HydrophobicContact CB-CG 4.49Å; F173-T180 HydrophobicContact CE1-CG2 4.06Å
174S93.7Very high94.4Very high41 Ų4154.1 Ų54.129%0.28730%0.295SS..  trans-63.7159.1167.748.30000110.7E176 Y177S174-E176 PolarHBondContact O-N 2.66Å; S174-E176 WeakPolarHBondContact OG-CG 3.41Å; S174-E176 PolarHBondContact OG-OE1 2.96Å; S174-Y177 PolarHBondContact O-N 3.29Å; S174-Y177 WeakPolarHBondContact OG-CD2 3.2Å; S174-Y177 VanDerWaalsContact OG-CE2 3.27Å; S174-Y177 WeakPolarHBondContact OG-CE2 3.47Å
175D95.4Very high94.4Very high85 Ų8558.3 Ų58.346%0.45531%0.313SS..G310 helixtrans-55.2-25.6-174.3-61.63.3000113.3K134 V137 Y177 L178K134-D175 WeakPolarHBondContact CD-OD1 3.15Å; K134-D175 IonicContact NZ-OD1 3.25Å; K134-D175 PolarHBondContact NZ-OD1 3.2Å; K134-D175 IonicContact NZ-OD2 3.97Å; V137-D175 HydrophobicContact CG2-CB 4.17Å; D175-Y177 VanDerWaalsContact C-N 3.32Å; D175-Y177 PolarHBondContact O-N 3.34Å; D175-L178 PolarHBondContact O-N 3.13Å
176E94.9Very high94.4Very high123 Ų12356.5 Ų56.558%0.57531%0.309SS*.G310 helixtrans-67.5-26.817767.4-172.6173.500113.9S174 S195S174-E176 PolarHBondContact O-N 2.66Å; S174-E176 WeakPolarHBondContact OG-CG 3.41Å; S174-E176 PolarHBondContact OG-OE1 2.96Å; E176-S195 PolarHBondContact O-OG 3.08Å
177Y95.9Very high94.3Very high90 Ų9056.3 Ų56.335%0.35331%0.314SS..G310 helixtrans-95.9-5.2179.3-58.5-62.1000113S174 D175 P179 T180 L194 S195S174-Y177 PolarHBondContact O-N 3.29Å; S174-Y177 WeakPolarHBondContact OG-CD2 3.2Å; S174-Y177 VanDerWaalsContact OG-CE2 3.27Å; S174-Y177 WeakPolarHBondContact OG-CE2 3.47Å; D175-Y177 VanDerWaalsContact C-N 3.32Å; D175-Y177 PolarHBondContact O-N 3.34Å; Y177-P179 CarbonylContact O-C 3.6Å; Y177-T180 PolarHBondContact O-OG1 2.86Å; Y177-L194 HydrophobicContact CD1-CB 4.28Å; Y177-L194 HydrophobicContact CD1-CD1 3.78Å; Y177-L194 HydrophobicContact CE1-CD1 4.32Å; Y177-S195 WeakPolarHBondContact CA-OG 3.44Å; Y177-S195 PolarHBondContact O-N 3.1Å
178L96.9Very high94.5Very high8 Ų861.9 Ų61.94%0.04234%0.338CS..  trans-98149.9-177.5-68.4178.1000111.9I132 K134 V137 A164 F173 D175I132-L178 HydrophobicContact CG2-CD2 4.16Å; I132-L178 VanDerWaalsContact O-CD2 3.24Å; I132-L178 WeakPolarHBondContact O-CD2 3.46Å; K134-L178 HydrophobicContact CB-CD1 3.49Å; K134-L178 VanDerWaalsContact CB-CD1 3.49Å; K134-L178 HydrophobicContact CD-CD1 4.23Å; V137-L178 HydrophobicContact CG1-CB 3.94Å; V137-L178 HydrophobicContact CG2-CD1 4.46Å; A164-L178 HydrophobicContact CB-CD1 4.15Å; F173-L178 HydrophobicContact CB-CD2 4.17Å; F173-L178 HydrophobicContact CB-CG 4.49Å; D175-L178 PolarHBondContact O-N 3.13Å
179P97.5Very high94.8Very high0 Ų062.5 Ų62.50%032%0.323CS..SBendcis-67.7141.8-10.328.1-33.8000112.1H131 L143 Y177 S195 C196 T197H131-P179 WeakPolarHBondContact NE2-CB 3.42Å; L143-P179 HydrophobicContact CD2-CB 3.91Å; L143-P179 HydrophobicContact CD2-CG 4.11Å; Y177-P179 CarbonylContact O-C 3.6Å; P179-S195 CarbonylContact O-C 3.56Å; P179-S195 VanDerWaalsContact O-CA 3.28Å; P179-S195 WeakPolarHBondContact O-CA 3.4Å; P179-S195 PolarHBondContact O-N 3.32Å; P179-S195 VanDerWaalsContact O-N 3.1Å; P179-C196 PolarHBondContact O-N 3.05Å; P179-T197 HydrophobicContact CG-CG2 3.53Å
180T98.1Very high95.3Very high0 Ų064.7 Ų64.70%033%0.33CS..EExtended strand (participates in β ladder)trans-105134.7174-67.50000109.8I132 F173 Y177 L182 F193 L194I132-T180 PolarHBondContact N-O 3.01Å; I132-T180 PolarHBondContact O-N 3.39Å; I132-T180 VanDerWaalsContact O-N 3.09Å; F173-T180 HydrophobicContact CE1-CG2 4.06Å; Y177-T180 PolarHBondContact O-OG1 2.86Å; T180-L182 HydrophobicContact CG2-CD2 3.73Å; T180-L182 HydrophobicContact CG2-CG 4.07Å; T180-F193 CarbonylContact C-O 3.39Å; T180-F193 WeakPolarHBondContact CA-O 3.33Å; T180-L194 HydrophobicContact CG2-CD2 3.85Å
181L98.3Very high95.8Very high1 Ų162.8 Ų62.81%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-113.7119.2172.6-159.174.7000110V129 H131 L147 F193 C196 L213V129-L181 HydrophobicContact CG1-CD1 3.62Å; V129-L181 HydrophobicContact CG1-CD2 4.12Å; V129-L181 HydrophobicContact CG1-CG 3.9Å; H131-L181 HydrophobicContact CB-CD1 4.09Å; L147-L181 HydrophobicContact CD1-CD1 4.42Å; L181-F193 HydrophobicContact CB-CB 4.29Å; L181-F193 HydrophobicContact CB-CD2 4.36Å; L181-F193 PolarHBondContact N-O 3.43Å; L181-F193 PolarHBondContact O-N 3.06Å; L181-C196 HydrophobicContact CB-CB 4.35Å; L181-L213 HydrophobicContact CD2-CD1 4.45Å; L181-L213 HydrophobicContact CD2-CD2 3.73Å; L181-L213 HydrophobicContact CD2-CG 4.4Å
182L98.2Very high96.2Very high12 Ų1258 Ų586%0.06330%0.295CS..EExtended strand (participates in β ladder)trans-106.6137.6174-55.3-177.4000109.3F115 V129 V130 I132 T180 Y184 L189 G191 N192F115-L182 HydrophobicContact CE2-CD1 4.29Å; F115-L182 HydrophobicContact CZ-CD1 3.96Å; V129-L182 CarbonylContact C-O 3.34Å; V129-L182 WeakPolarHBondContact CA-O 3.43Å; V130-L182 PolarHBondContact N-O 3.39Å; V130-L182 PolarHBondContact O-N 3.16Å; I132-L182 HydrophobicContact CD1-CD1 3.61Å; I132-L182 HydrophobicContact CD1-CG 4.18Å; I132-L182 HydrophobicContact CG1-CD1 4.46Å; T180-L182 HydrophobicContact CG2-CD2 3.73Å; T180-L182 HydrophobicContact CG2-CG 4.07Å; L182-Y184 HydrophobicContact CB-CD2 4.31Å; L182-Y184 HydrophobicContact CB-CE2 3.62Å; L182-Y184 HydrophobicContact CD1-CE2 4.16Å; L182-L189 HydrophobicContact CB-CD1 4.19Å; L182-L189 HydrophobicContact CD2-CD1 4.36Å; L182-G191 CarbonylContact C-O 3.53Å; L182-G191 WeakPolarHBondContact CA-O 3.37Å; L182-N192 HydrophobicContact CD2-CB 4.15Å; L182-N192 WeakPolarHBondContact CD2-OD1 3.39Å
183V98.5Very high96.5Very high0 Ų049.7 Ų49.70%026%0.264CS..EExtended strand (participates in β ladder)trans-125.9125.2178.8-1710000109.2V127 V128 V129 I190 G191 F193 L213 L218V127-V183 HydrophobicContact CG1-CG1 3.53Å; V128-V183 CarbonylContact O-C 3.57Å; V128-V183 WeakPolarHBondContact O-CA 3.46Å; V129-V183 HydrophobicContact CG1-CG2 4.48Å; V129-V183 HydrophobicContact CG2-CG1 4.19Å; V129-V183 HydrophobicContact CG2-CG2 4.27Å; V183-I190 HydrophobicContact CB-CG1 4.2Å; V183-I190 HydrophobicContact CG1-CD1 4.02Å; V183-I190 HydrophobicContact CG1-CG1 3.9Å; V183-I190 VanDerWaalsContact O-CG1 3.27Å; V183-I190 WeakPolarHBondContact O-CG1 3.34Å; V183-I190 PolarHBondContact O-N 3.02Å; V183-G191 PolarHBondContact N-O 3.38Å; V183-G191 PolarHBondContact O-N 2.81Å; V183-F193 HydrophobicContact CG2-CE2 4.26Å; V183-L213 HydrophobicContact CG2-CD2 4.29Å; V183-L218 HydrophobicContact CB-CD1 4.33Å; V183-L218 HydrophobicContact CG1-CB 4.39Å; V183-L218 HydrophobicContact CG1-CD1 4.5Å; V183-L218 HydrophobicContact CG1-CD2 4.15Å; V183-L218 HydrophobicContact CG2-CD1 4.04Å
184Y98.3Very high96.7Very high30 Ų3051.5 Ų51.512%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-120.3151.1-178.4-65.6-96.8000111.3F115 I119 V127 V128 L182 E188 L189F115-Y184 AromaticContact CZ-CE2 3.79Å; F115-Y184 HydrophobicContact CZ-CE2 3.79Å; F115-Y184 AromaticContact CZ-CZ 3.94Å; I119-Y184 HydrophobicContact CB-CD1 4.37Å; I119-Y184 HydrophobicContact CB-CG 4.43Å; I119-Y184 HydrophobicContact CD1-CE1 4.14Å; I119-Y184 HydrophobicContact CG2-CD1 4.12Å; I119-Y184 HydrophobicContact CG2-CD2 3.8Å; I119-Y184 HydrophobicContact CG2-CE1 4.37Å; I119-Y184 HydrophobicContact CG2-CE2 4.08Å; I119-Y184 HydrophobicContact CG2-CG 3.82Å; V127-Y184 WeakPolarHBondContact CA-O 3.49Å; V128-Y184 PolarHBondContact N-O 3.4Å; V128-Y184 PolarHBondContact O-N 2.94Å; L182-Y184 HydrophobicContact CB-CD2 4.31Å; L182-Y184 HydrophobicContact CB-CE2 3.62Å; L182-Y184 HydrophobicContact CD1-CE2 4.16Å; Y184-E188 CarbonylContact C-O 3.57Å; Y184-E188 WeakPolarHBondContact CA-O 3.25Å; Y184-L189 HydrophobicContact CD1-CB 4.06Å; Y184-L189 HydrophobicContact CD1-CD1 4.23Å; Y184-L189 HydrophobicContact CD2-CD1 4.28Å; Y184-L189 HydrophobicContact CE1-CB 3.74Å; Y184-L189 HydrophobicContact CE1-CD1 3.77Å; Y184-L189 HydrophobicContact CE1-CG 4.33Å; Y184-L189 HydrophobicContact CE2-CD1 3.82Å; Y184-L189 HydrophobicContact CG-CD1 4.46Å
185K96.2Very high96.8Very high91 Ų9150 Ų5040%0.39627%0.265SS..EExtended strand (participates in β ladder)trans-148.8133.2167.5-171.7175.3-171.51710109.1S125 V127 G187 E188 I190S125-K185 WeakPolarHBondContact O-CE 3.35Å; V127-K185 HydrophobicContact CG2-CD 4.14Å; K185-G187 PolarHBondContact O-N 2.82Å; K185-E188 PolarHBondContact N-O 2.76Å; K185-E188 PolarHBondContact O-N 3.14Å; K185-I190 HydrophobicContact CB-CD1 3.81Å; K185-I190 HydrophobicContact CB-CG2 4.48Å
186A94.3Very high96.7Very high64 Ų6446.1 Ų46.153%0.52924%0.244SC..THydrogen-bonded Turntrans51.738.2-178.400000114.2H124 E188H124-A186 HydrophobicContact CB-CB 4.15Å; A186-E188 PolarHBondContact O-N 3.32Å
187G93.7Very high96.6Very high43 Ų4341.5 Ų41.544%0.44322%0.224SC..THydrogen-bonded Turntrans76.6-3.7-178.100000115.2K185K185-G187 PolarHBondContact O-N 2.82Å
188E96.9Very high96.4Very high138 Ų13844.2 Ų44.265%0.64524%0.24SC*.EExtended strand (participates in β ladder)trans-97138.9178.1-61.1-171.1155.400111.3Y184 K185 A186 I190Y184-E188 CarbonylContact C-O 3.57Å; Y184-E188 WeakPolarHBondContact CA-O 3.25Å; K185-E188 PolarHBondContact N-O 2.76Å; K185-E188 PolarHBondContact O-N 3.14Å; A186-E188 PolarHBondContact O-N 3.32Å; E188-I190 PolarHBondContact O-N 2.71Å
189L97.6Very high95.7Very high87 Ų8749.7 Ų49.746%0.45527%0.266SS..EExtended strand (participates in β ladder)trans-77.8111.4172.8-179.968.9000109.3L182 Y184 G191 N192L182-L189 HydrophobicContact CB-CD1 4.19Å; L182-L189 HydrophobicContact CD2-CD1 4.36Å; Y184-L189 HydrophobicContact CD1-CB 4.06Å; Y184-L189 HydrophobicContact CD1-CD1 4.23Å; Y184-L189 HydrophobicContact CD2-CD1 4.28Å; Y184-L189 HydrophobicContact CE1-CB 3.74Å; Y184-L189 HydrophobicContact CE1-CD1 3.77Å; Y184-L189 HydrophobicContact CE1-CG 4.33Å; Y184-L189 HydrophobicContact CE2-CD1 3.82Å; Y184-L189 HydrophobicContact CG-CD1 4.46Å; L189-G191 VanDerWaalsContact CD1-O 3.23Å; L189-G191 WeakPolarHBondContact CD1-O 3.48Å; L189-N192 HydrophobicContact CD2-CB 4.23Å
190I97.8Very high95.2Very high78 Ų7851.2 Ų51.240%0.427%0.273SS..EExtended strand (participates in β ladder)trans-106.3-14.2-177.462.2167.9000113.4V183 K185 E188 L218V183-I190 HydrophobicContact CB-CG1 4.2Å; V183-I190 HydrophobicContact CG1-CD1 4.02Å; V183-I190 HydrophobicContact CG1-CG1 3.9Å; V183-I190 VanDerWaalsContact O-CG1 3.27Å; V183-I190 WeakPolarHBondContact O-CG1 3.34Å; V183-I190 PolarHBondContact O-N 3.02Å; K185-I190 HydrophobicContact CB-CD1 3.81Å; K185-I190 HydrophobicContact CB-CG2 4.48Å; E188-I190 PolarHBondContact O-N 2.71Å; I190-L218 HydrophobicContact CD1-CD2 3.67Å; I190-L218 HydrophobicContact CG1-CD2 3.92Å
191G97.7Very high94.7Very high6 Ų656.5 Ų56.56%0.06230%0.301CS..EExtended strand (participates in β ladder)trans-148135.3174.200000111.7L182 V183 L189L182-G191 CarbonylContact C-O 3.53Å; L182-G191 WeakPolarHBondContact CA-O 3.37Å; V183-G191 PolarHBondContact N-O 3.38Å; V183-G191 PolarHBondContact O-N 2.81Å; L189-G191 VanDerWaalsContact CD1-O 3.23Å; L189-G191 WeakPolarHBondContact CD1-O 3.48Å
192N97.5Very high94Very high88 Ų8863.6 Ų63.647%0.47134%0.335SS..EExtended strand (participates in β ladder)trans-139.3101.6176.8178.514.5000109.2L182 L189L182-N192 HydrophobicContact CD2-CB 4.15Å; L182-N192 WeakPolarHBondContact CD2-OD1 3.39Å; L189-N192 HydrophobicContact CD2-CB 4.23Å
193F97.4Very high93.8Very high23 Ų2370.1 Ų70.110%0.10137%0.365CS..EExtended strand (participates in β ladder)trans-115.796.9-173.3-52.7-75.4000109.6T180 L181 V183 C196 F212 Y216 L218T180-F193 CarbonylContact C-O 3.39Å; T180-F193 WeakPolarHBondContact CA-O 3.33Å; L181-F193 HydrophobicContact CB-CB 4.29Å; L181-F193 HydrophobicContact CB-CD2 4.36Å; L181-F193 PolarHBondContact N-O 3.43Å; L181-F193 PolarHBondContact O-N 3.06Å; V183-F193 HydrophobicContact CG2-CE2 4.26Å; F193-C196 HydrophobicContact CB-CB 3.77Å; F193-F212 HydrophobicContact CB-CE1 4.38Å; F193-F212 HydrophobicContact CB-CZ 4.21Å; F193-F212 HydrophobicContact CD1-CE1 4.02Å; F193-F212 AromaticContact CD1-CZ 3.48Å; F193-F212 HydrophobicContact CD1-CZ 3.48Å; F193-F212 VanDerWaalsContact CD1-CZ 3.48Å; F193-F212 HydrophobicContact CD2-CE1 4.03Å; F193-F212 HydrophobicContact CD2-CZ 4.33Å; F193-F212 HydrophobicContact CE1-CE1 4.24Å; F193-F212 AromaticContact CE1-CZ 3.8Å; F193-F212 HydrophobicContact CE1-CZ 3.8Å; F193-F212 HydrophobicContact CE2-CE1 4.27Å; F193-F212 AromaticContact CG-CE1 3.87Å; F193-F212 HydrophobicContact CG-CE1 3.87Å; F193-F212 AromaticContact CG-CZ 3.75Å; F193-F212 HydrophobicContact CG-CZ 3.75Å; F193-F212 HydrophobicContact CZ-CE1 4.36Å; F193-F212 HydrophobicContact CZ-CZ 4.35Å; F193-Y216 HydrophobicContact CE1-CD1 4.27Å; F193-Y216 AromaticContact CE1-CD2 3.99Å; F193-Y216 HydrophobicContact CE1-CD2 3.99Å; F193-Y216 HydrophobicContact CE1-CE1 4.07Å; F193-Y216 AromaticContact CE1-CE2 3.81Å; F193-Y216 HydrophobicContact CE1-CE2 3.81Å; F193-Y216 HydrophobicContact CE1-CG 4.25Å; F193-Y216 AromaticContact CE1-CZ 3.84Å; F193-Y216 HydrophobicContact CZ-CD1 4.31Å; F193-Y216 AromaticContact CZ-CD2 3.91Å; F193-Y216 HydrophobicContact CZ-CD2 3.91Å; F193-Y216 HydrophobicContact CZ-CE2 4.2Å; F193-Y216 AromaticContact CZ-CG 3.99Å; F193-Y216 HydrophobicContact CZ-CG 3.99Å; F193-L218 HydrophobicContact CE2-CD1 3.47Å; F193-L218 VanDerWaalsContact CE2-CD1 3.47Å; F193-L218 HydrophobicContact CZ-CD1 3.57Å
194L96.2Very high93.7Very high74 Ų7470.3 Ų70.339%0.38737%0.366SS..THydrogen-bonded Turntrans-74.4140.2172.4-52.7-179.9000109.1Y177 T180 C196Y177-L194 HydrophobicContact CD1-CB 4.28Å; Y177-L194 HydrophobicContact CD1-CD1 3.78Å; Y177-L194 HydrophobicContact CE1-CD1 4.32Å; T180-L194 HydrophobicContact CG2-CD2 3.85Å; L194-C196 PolarHBondContact O-N 3.03Å; L194-C196 VanDerWaalsContact O-N 3.17Å
195S95.7Very high93.6Very high10 Ų1075 Ų757%0.0739%0.387CS..THydrogen-bonded Turntrans49.444.3178.6-33.30000111.5E176 Y177 P179 T197 Q198E176-S195 PolarHBondContact O-OG 3.08Å; Y177-S195 WeakPolarHBondContact CA-OG 3.44Å; Y177-S195 PolarHBondContact O-N 3.1Å; P179-S195 CarbonylContact O-C 3.56Å; P179-S195 VanDerWaalsContact O-CA 3.28Å; P179-S195 WeakPolarHBondContact O-CA 3.4Å; P179-S195 PolarHBondContact O-N 3.32Å; P179-S195 VanDerWaalsContact O-N 3.1Å; S195-T197 PolarHBondContact O-N 3.49Å; S195-Q198 WeakPolarHBondContact O-CB 3.44Å; S195-Q198 WeakPolarHBondContact O-CG 3.42Å; S195-Q198 PolarHBondContact O-N 3.49Å
196C93.3Very high93.7Very high2 Ų271.3 Ų71.31%0.01437%0.373CS..G310 helixtrans-59.3-24.4-162.461.50000113.7L143 P179 L181 F193 L194 Q198 H199L143-C196 VanDerWaalsContact CD2-SG 3.58Å; P179-C196 PolarHBondContact O-N 3.05Å; L181-C196 HydrophobicContact CB-CB 4.35Å; F193-C196 HydrophobicContact CB-CB 3.77Å; L194-C196 PolarHBondContact O-N 3.03Å; L194-C196 VanDerWaalsContact O-N 3.17Å; C196-Q198 PolarHBondContact O-N 2.98Å; C196-H199 PolarHBondContact O-N 3.14Å
197T93.2Very high93.7Very high26 Ų2672.4 Ų72.416%0.1637%0.373CS..G310 helixtrans-69.4-13.317654.10000113.9P179 S195 H199 M200 F204P179-T197 HydrophobicContact CG-CG2 3.53Å; S195-T197 PolarHBondContact O-N 3.49Å; T197-H199 PolarHBondContact O-N 3.43Å; T197-M200 PolarHBondContact O-N 3.37Å; T197-F204 HydrophobicContact CG2-CD1 4.44Å; T197-F204 HydrophobicContact CG2-CE1 3.51Å; T197-F204 HydrophobicContact CG2-CE2 4.31Å; T197-F204 HydrophobicContact CG2-CZ 3.43Å; T197-F204 VanDerWaalsContact CG2-CZ 3.43Å
198Q90.3Very high93.9Very high147 Ų14772.7 Ų72.769%0.68737%0.365SS*.G310 helixtrans-65.2-20.5173.3-68.7-177.3600113.1S195 C196 M200S195-Q198 WeakPolarHBondContact O-CB 3.44Å; S195-Q198 WeakPolarHBondContact O-CG 3.42Å; S195-Q198 PolarHBondContact O-N 3.49Å; C196-Q198 PolarHBondContact O-N 2.98Å; Q198-M200 VanDerWaalsContact C-N 3.28Å
199H82.6Confident93.9Very high124 Ų12466.2 Ų66.257%0.57433%0.334SS*.G310 helixtrans-88.12175.7-57.5-59.9000112.9C196 T197 F212C196-H199 PolarHBondContact O-N 3.14Å; T197-H199 PolarHBondContact O-N 3.43Å; H199-F212 HydrophobicContact CB-CD2 4.23Å; H199-F212 HydrophobicContact CB-CE2 3.97Å; H199-F212 AromaticContact CD2-CE2 3.95Å
200M88.3Confident93.9Very high31 Ų3163.5 Ų63.515%0.15332%0.319CS..SBendtrans-117.1167.4-175.5-60.5177.5170.600111T197 Q198 F204 V209 F212T197-M200 PolarHBondContact O-N 3.37Å; Q198-M200 VanDerWaalsContact C-N 3.28Å; M200-F204 HydrophobicContact CB-CB 3.97Å; M200-F204 HydrophobicContact CB-CD1 4.31Å; M200-F204 HydrophobicContact CB-CG 4.16Å; M200-F204 HydrophobicContact SD-CB 4.24Å; M200-F204 HydrophobicContact SD-CD1 4.39Å; M200-F204 HydrophobicContact SD-CD2 3.66Å; M200-F204 HydrophobicContact SD-CE2 4.07Å; M200-F204 HydrophobicContact SD-CG 3.84Å; M200-V209 HydrophobicContact CE-CB 4.08Å; M200-V209 HydrophobicContact CE-CG1 4.42Å; M200-V209 HydrophobicContact CE-CG2 3.77Å; M200-V209 HydrophobicContact SD-CG2 4.05Å; M200-F212 HydrophobicContact CE-CB 3.64Å; M200-F212 HydrophobicContact CE-CD1 4.16Å; M200-F212 HydrophobicContact CE-CG 3.9Å
201N87.1Confident93.8Very high112 Ų11262.7 Ų62.760%0.59932%0.324SS*.  trans-65.7160.1170.6-65.2-43.7000110.8E203N201-E203 WeakPolarHBondContact CB-O 3.48Å; N201-E203 PolarHBondContact O-N 3.4Å
202E84.2Confident93.7Very high150 Ų15063.3 Ų63.370%0.70133%0.326SS*.SBendtrans-59.9-32.9178.7-178.8160.9-14500112.6K138K138-E202 IonicContact NZ-OE1 2.98Å; K138-E202 PolarHBondContact NZ-OE1 2.99Å
203E92.5Very high93.7Very high148 Ų14859.1 Ų59.169%0.69230%0.303SS*.SBendtrans-111.5116.2164.5-64.8-178.7169.200108N201N201-E203 WeakPolarHBondContact CB-O 3.48Å; N201-E203 PolarHBondContact O-N 3.4Å
204F96.5Very high93.6Very high5 Ų561.2 Ų61.22%0.02232%0.316CS..  trans-127.1156.6179.367.7-89.1000111.4Q142 L143 T197 M200 D208 V209Q142-F204 HydrophobicContact CB-CE1 4.1Å; Q142-F204 HydrophobicContact CB-CE2 4.35Å; Q142-F204 HydrophobicContact CB-CZ 3.76Å; Q142-F204 HydrophobicContact CG-CD1 4.24Å; Q142-F204 HydrophobicContact CG-CD2 4.24Å; Q142-F204 HydrophobicContact CG-CE1 3.84Å; Q142-F204 HydrophobicContact CG-CE2 3.86Å; Q142-F204 HydrophobicContact CG-CG 4.42Å; Q142-F204 HydrophobicContact CG-CZ 3.64Å; Q142-F204 WeakPolarHBondContact CG-O 3.43Å; Q142-F204 VanDerWaalsContact NE2-N 3.14Å; Q142-F204 PolarHBondContact NE2-O 3.19Å; L143-F204 HydrophobicContact CB-CE2 4.24Å; L143-F204 HydrophobicContact CB-CZ 4.13Å; L143-F204 HydrophobicContact CD1-CE2 4.27Å; T197-F204 HydrophobicContact CG2-CD1 4.44Å; T197-F204 HydrophobicContact CG2-CE1 3.51Å; T197-F204 HydrophobicContact CG2-CE2 4.31Å; T197-F204 HydrophobicContact CG2-CZ 3.43Å; T197-F204 VanDerWaalsContact CG2-CZ 3.43Å; M200-F204 HydrophobicContact CB-CB 3.97Å; M200-F204 HydrophobicContact CB-CD1 4.31Å; M200-F204 HydrophobicContact CB-CG 4.16Å; M200-F204 HydrophobicContact SD-CB 4.24Å; M200-F204 HydrophobicContact SD-CD1 4.39Å; M200-F204 HydrophobicContact SD-CD2 3.66Å; M200-F204 HydrophobicContact SD-CE2 4.07Å; M200-F204 HydrophobicContact SD-CG 3.84Å; F204-D208 WeakPolarHBondContact CA-OD2 3.29Å; F204-D208 HydrophobicContact CB-CB 4.04Å; F204-V209 HydrophobicContact CD2-CG2 3.86Å; F204-V209 HydrophobicContact CE2-CG2 3.98Å
205F97.1Very high93.5Very high128 Ų12862 Ų6256%0.56133%0.327SS*.  trans-128.5177-177.4-57.1-81.6000111T207 D208 V209F205-T207 PolarHBondContact O-N 3.11Å; F205-T207 VanDerWaalsContact O-N 3.15Å; F205-D208 PolarHBondContact N-OD2 2.88Å; F205-D208 WeakPolarHBondContact O-CB 3.12Å; F205-D208 PolarHBondContact O-N 2.69Å; F205-V209 PolarHBondContact O-N 3.34Å
206A97.2Very high93.5Very high14 Ų1467.5 Ų67.512%0.11635%0.347CS..Hα-helixtrans-52.8-38.1-179.400000112.8C146 C149 L150 D208 V209 E210C146-A206 HydrophobicContact CB-CB 4.39Å; C146-A206 PolarHBondContact SG-N 3.14Å; C146-A206 VanDerWaalsContact SG-N 3.44Å; C149-A206 HydrophobicContact CB-CB 3.67Å; L150-A206 HydrophobicContact CD2-CB 4.38Å; L150-A206 HydrophobicContact CG-CB 4.29Å; A206-D208 VanDerWaalsContact C-N 3.32Å; A206-D208 PolarHBondContact O-N 3.35Å; A206-V209 PolarHBondContact O-N 3.13Å; A206-E210 WeakPolarHBondContact O-CB 3.41Å; A206-E210 PolarHBondContact O-N 3.29Å
207T96Very high93.5Very high86 Ų8670.4 Ų70.453%0.52838%0.377SS..Hα-helixtrans-64-32.8177.150.60000113.4F205 A211F205-T207 PolarHBondContact O-N 3.11Å; F205-T207 VanDerWaalsContact O-N 3.15Å; T207-A211 VanDerWaalsContact O-CB 3.3Å; T207-A211 WeakPolarHBondContact O-CB 3.31Å; T207-A211 PolarHBondContact O-N 2.8Å
208D97Very high93.7Very high50 Ų5069.9 Ų69.927%0.26737%0.373SS..Hα-helixtrans-71.9-40.2176.1-58.8-67.5000110.7F204 F205 A206 A211 F212F204-D208 WeakPolarHBondContact CA-OD2 3.29Å; F204-D208 HydrophobicContact CB-CB 4.04Å; F205-D208 PolarHBondContact N-OD2 2.88Å; F205-D208 WeakPolarHBondContact O-CB 3.12Å; F205-D208 PolarHBondContact O-N 2.69Å; A206-D208 VanDerWaalsContact C-N 3.32Å; A206-D208 PolarHBondContact O-N 3.35Å; D208-A211 PolarHBondContact O-N 2.86Å; D208-F212 WeakPolarHBondContact O-CB 3.19Å; D208-F212 PolarHBondContact O-N 3.23Å
209V97.4Very high93.9Very high1 Ų163.5 Ų63.51%0.00634%0.344CS..Hα-helixtrans-66.6-41.1175.2-175.50000111.2L143 C146 L147 L150 M200 F204 F205 A206 F212 L213L143-V209 HydrophobicContact CD1-CG1 3.99Å; L143-V209 HydrophobicContact CD1-CG2 3.76Å; C146-V209 HydrophobicContact CB-CB 4.5Å; C146-V209 HydrophobicContact CB-CG2 3.77Å; L147-V209 HydrophobicContact CD2-CG1 4.42Å; L150-V209 HydrophobicContact CD1-CB 3.88Å; L150-V209 HydrophobicContact CD1-CG1 3.64Å; M200-V209 HydrophobicContact CE-CB 4.08Å; M200-V209 HydrophobicContact CE-CG1 4.42Å; M200-V209 HydrophobicContact CE-CG2 3.77Å; M200-V209 HydrophobicContact SD-CG2 4.05Å; F204-V209 HydrophobicContact CD2-CG2 3.86Å; F204-V209 HydrophobicContact CE2-CG2 3.98Å; F205-V209 PolarHBondContact O-N 3.34Å; A206-V209 PolarHBondContact O-N 3.13Å; V209-F212 PolarHBondContact O-N 3.35Å; V209-L213 HydrophobicContact CG1-CD1 4.27Å; V209-L213 WeakPolarHBondContact O-CG 3.38Å; V209-L213 PolarHBondContact O-N 3.03Å
210E96.8Very high94.2Very high30 Ų3059.7 Ų59.714%0.1433%0.33CS..Hα-helixtrans-58.5-53.2172.5-178.1-175.9-173.100111.2L150 Y154 A206 F212 L213 N214 L219 K222L150-E210 HydrophobicContact CD2-CB 3.87Å; L150-E210 HydrophobicContact CD2-CG 4.48Å; Y154-E210 HydrophobicContact CE2-CG 4.15Å; Y154-E210 PolarHBondContact OH-OE1 3.32Å; A206-E210 WeakPolarHBondContact O-CB 3.41Å; A206-E210 PolarHBondContact O-N 3.29Å; E210-F212 VanDerWaalsContact C-N 3.27Å; E210-F212 PolarHBondContact O-N 3.5Å; E210-L213 PolarHBondContact O-N 2.89Å; E210-N214 WeakPolarHBondContact CG-ND2 3.42Å; E210-N214 VanDerWaalsContact O-CB 3.31Å; E210-N214 WeakPolarHBondContact O-CB 3.37Å; E210-N214 PolarHBondContact O-N 3.44Å; E210-N214 PolarHBondContact O-ND2 3.18Å; E210-L219 HydrophobicContact CG-CD1 4.16Å; E210-K222 WeakPolarHBondContact OE1-CE 3.45Å; E210-K222 IonicContact OE1-NZ 3.74Å; E210-K222 PolarHBondContact OE1-NZ 3.42Å; E210-K222 IonicContact OE2-NZ 2.98Å; E210-K222 PolarHBondContact OE2-NZ 3.44Å
211A95.5Very high94Very high61 Ų6165.9 Ų65.950%0.50436%0.359SS..Hα-helixtrans-59.4-40.7-179.800000111.6T207 D208 S215T207-A211 VanDerWaalsContact O-CB 3.3Å; T207-A211 WeakPolarHBondContact O-CB 3.31Å; T207-A211 PolarHBondContact O-N 2.8Å; D208-A211 PolarHBondContact O-N 2.86Å; A211-S215 WeakPolarHBondContact O-CB 3.08Å; A211-S215 PolarHBondContact O-N 3.46Å
212F96.2Very high93.5Very high20 Ų2064.4 Ų64.49%0.08835%0.347CS..Hα-helixtrans-58.5-55.1173.9175.2-102.3000111.4F193 H199 M200 D208 V209 E210 N214 S215 Y216F193-F212 HydrophobicContact CB-CE1 4.38Å; F193-F212 HydrophobicContact CB-CZ 4.21Å; F193-F212 HydrophobicContact CD1-CE1 4.02Å; F193-F212 AromaticContact CD1-CZ 3.48Å; F193-F212 HydrophobicContact CD1-CZ 3.48Å; F193-F212 VanDerWaalsContact CD1-CZ 3.48Å; F193-F212 HydrophobicContact CD2-CE1 4.03Å; F193-F212 HydrophobicContact CD2-CZ 4.33Å; F193-F212 HydrophobicContact CE1-CE1 4.24Å; F193-F212 AromaticContact CE1-CZ 3.8Å; F193-F212 HydrophobicContact CE1-CZ 3.8Å; F193-F212 HydrophobicContact CE2-CE1 4.27Å; F193-F212 AromaticContact CG-CE1 3.87Å; F193-F212 HydrophobicContact CG-CE1 3.87Å; F193-F212 AromaticContact CG-CZ 3.75Å; F193-F212 HydrophobicContact CG-CZ 3.75Å; F193-F212 HydrophobicContact CZ-CE1 4.36Å; F193-F212 HydrophobicContact CZ-CZ 4.35Å; H199-F212 HydrophobicContact CB-CD2 4.23Å; H199-F212 HydrophobicContact CB-CE2 3.97Å; H199-F212 AromaticContact CD2-CE2 3.95Å; M200-F212 HydrophobicContact CE-CB 3.64Å; M200-F212 HydrophobicContact CE-CD1 4.16Å; M200-F212 HydrophobicContact CE-CG 3.9Å; D208-F212 WeakPolarHBondContact O-CB 3.19Å; D208-F212 PolarHBondContact O-N 3.23Å; V209-F212 PolarHBondContact O-N 3.35Å; E210-F212 VanDerWaalsContact C-N 3.27Å; E210-F212 PolarHBondContact O-N 3.5Å; F212-N214 PolarHBondContact O-N 3Å; F212-S215 WeakPolarHBondContact O-CB 3.35Å; F212-S215 PolarHBondContact O-N 3.12Å; F212-S215 PolarHBondContact O-OG 3.19Å; F212-Y216 HydrophobicContact CD2-CE2 4.05Å; F212-Y216 HydrophobicContact CE2-CD2 4.48Å; F212-Y216 AromaticContact CE2-CE2 3.61Å; F212-Y216 HydrophobicContact CE2-CE2 3.61Å; F212-Y216 HydrophobicContact CZ-CD2 4.5Å; F212-Y216 AromaticContact CZ-CE2 3.88Å; F212-Y216 HydrophobicContact CZ-CE2 3.88Å; F212-Y216 VanDerWaalsContact O-CD2 3.26Å; F212-Y216 WeakPolarHBondContact O-CD2 2.76Å
213L96.4Very high92.4Very high0 Ų063.7 Ų63.70%034%0.344CS..Hα-helixtrans-64.2-37.8-179.3-70.8173.7000113L181 V183 V209 E210 S215 Y216 G217 L218 L219L181-L213 HydrophobicContact CD2-CD1 4.45Å; L181-L213 HydrophobicContact CD2-CD2 3.73Å; L181-L213 HydrophobicContact CD2-CG 4.4Å; V183-L213 HydrophobicContact CG2-CD2 4.29Å; V209-L213 HydrophobicContact CG1-CD1 4.27Å; V209-L213 WeakPolarHBondContact O-CG 3.38Å; V209-L213 PolarHBondContact O-N 3.03Å; E210-L213 PolarHBondContact O-N 2.89Å; L213-S215 VanDerWaalsContact C-N 3.32Å; L213-S215 PolarHBondContact O-N 2.87Å; L213-Y216 PolarHBondContact O-N 2.97Å; L213-G217 PolarHBondContact O-N 3.17Å; L213-L218 HydrophobicContact CB-CB 4.45Å; L213-L218 HydrophobicContact CD2-CB 4.25Å; L213-L218 HydrophobicContact CD2-CD1 4.05Å; L213-L218 PolarHBondContact O-N 3.36Å; L213-L219 HydrophobicContact CB-CD1 3.65Å; L213-L219 HydrophobicContact CB-CG 3.75Å; L213-L219 HydrophobicContact CD1-CD1 4Å; L213-L219 HydrophobicContact CD1-CD2 4.1Å; L213-L219 HydrophobicContact CD1-CG 4.1Å; L213-L219 HydrophobicContact CG-CD1 4.48Å
214N95.3Very high90.6Very high67 Ų6763.2 Ų63.236%0.35835%0.345SS..Hα-helixtrans-64.4-34.8175.4-82.1-27.6000112.4E210 F212 Y216 G217 L219E210-N214 WeakPolarHBondContact CG-ND2 3.42Å; E210-N214 VanDerWaalsContact O-CB 3.31Å; E210-N214 WeakPolarHBondContact O-CB 3.37Å; E210-N214 PolarHBondContact O-N 3.44Å; E210-N214 PolarHBondContact O-ND2 3.18Å; F212-N214 PolarHBondContact O-N 3Å; N214-Y216 PolarHBondContact O-N 3.43Å; N214-Y216 VanDerWaalsContact O-N 3.12Å; N214-G217 PolarHBondContact O-N 3.02Å; N214-L219 WeakPolarHBondContact OD1-CB 3.3Å
215S94.8Very high88.3Confident89 Ų8968.6 Ų68.662%0.62238%0.38SS*.Hα-helixtrans-61.5-21.2176.878.10000113.4A211 F212 L213A211-S215 WeakPolarHBondContact O-CB 3.08Å; A211-S215 PolarHBondContact O-N 3.46Å; F212-S215 WeakPolarHBondContact O-CB 3.35Å; F212-S215 PolarHBondContact O-N 3.12Å; F212-S215 PolarHBondContact O-OG 3.19Å; L213-S215 VanDerWaalsContact C-N 3.32Å; L213-S215 PolarHBondContact O-N 2.87Å
216Y95.3Very high85.8Confident127 Ų12765.4 Ų65.450%0.49838%0.384SS..THydrogen-bonded Turntrans-102.51.1173.7-64.9-83.8000113.6F193 F212 L213 N214 L218F193-Y216 HydrophobicContact CE1-CD1 4.27Å; F193-Y216 AromaticContact CE1-CD2 3.99Å; F193-Y216 HydrophobicContact CE1-CD2 3.99Å; F193-Y216 HydrophobicContact CE1-CE1 4.07Å; F193-Y216 AromaticContact CE1-CE2 3.81Å; F193-Y216 HydrophobicContact CE1-CE2 3.81Å; F193-Y216 HydrophobicContact CE1-CG 4.25Å; F193-Y216 AromaticContact CE1-CZ 3.84Å; F193-Y216 HydrophobicContact CZ-CD1 4.31Å; F193-Y216 AromaticContact CZ-CD2 3.91Å; F193-Y216 HydrophobicContact CZ-CD2 3.91Å; F193-Y216 HydrophobicContact CZ-CE2 4.2Å; F193-Y216 AromaticContact CZ-CG 3.99Å; F193-Y216 HydrophobicContact CZ-CG 3.99Å; F212-Y216 HydrophobicContact CD2-CE2 4.05Å; F212-Y216 HydrophobicContact CE2-CD2 4.48Å; F212-Y216 AromaticContact CE2-CE2 3.61Å; F212-Y216 HydrophobicContact CE2-CE2 3.61Å; F212-Y216 HydrophobicContact CZ-CD2 4.5Å; F212-Y216 AromaticContact CZ-CE2 3.88Å; F212-Y216 HydrophobicContact CZ-CE2 3.88Å; F212-Y216 VanDerWaalsContact O-CD2 3.26Å; F212-Y216 WeakPolarHBondContact O-CD2 2.76Å; L213-Y216 PolarHBondContact O-N 2.97Å; N214-Y216 PolarHBondContact O-N 3.43Å; N214-Y216 VanDerWaalsContact O-N 3.12Å; Y216-L218 VanDerWaalsContact C-N 3.31Å; Y216-L218 HydrophobicContact CG-CD1 4.49Å; Y216-L218 PolarHBondContact O-N 3.2Å
217G94.6Very high83.2Confident63 Ų6373.5 Ų73.565%0.64942%0.419SS*.THydrogen-bonded Turntrans65.231.5-176.500000113.7L213 N214L213-G217 PolarHBondContact O-N 3.17Å; N214-G217 PolarHBondContact O-N 3.02Å
218L96.1Very high80.8Confident14 Ų1476.3 Ų76.37%0.07343%0.431CS..  trans-93.1-11.9-174.4-65.6176000114V183 I190 F193 L213 Y216V183-L218 HydrophobicContact CB-CD1 4.33Å; V183-L218 HydrophobicContact CG1-CB 4.39Å; V183-L218 HydrophobicContact CG1-CD1 4.5Å; V183-L218 HydrophobicContact CG1-CD2 4.15Å; V183-L218 HydrophobicContact CG2-CD1 4.04Å; I190-L218 HydrophobicContact CD1-CD2 3.67Å; I190-L218 HydrophobicContact CG1-CD2 3.92Å; F193-L218 HydrophobicContact CE2-CD1 3.47Å; F193-L218 VanDerWaalsContact CE2-CD1 3.47Å; F193-L218 HydrophobicContact CZ-CD1 3.57Å; L213-L218 HydrophobicContact CB-CB 4.45Å; L213-L218 HydrophobicContact CD2-CB 4.25Å; L213-L218 HydrophobicContact CD2-CD1 4.05Å; L213-L218 PolarHBondContact O-N 3.36Å; Y216-L218 VanDerWaalsContact C-N 3.31Å; Y216-L218 HydrophobicContact CG-CD1 4.49Å; Y216-L218 PolarHBondContact O-N 3.2Å
219L94.3Very high78.4Confident14 Ų1483 Ų837%0.07346%0.46CS..SBendtrans-105.4145.6171.4-65.7170.1000109.7Y154 V157 F159 E210 L213 N214Y154-L219 HydrophobicContact CD1-CB 4.41Å; Y154-L219 HydrophobicContact CD1-CD2 4.43Å; Y154-L219 HydrophobicContact CD2-CD1 4.41Å; Y154-L219 HydrophobicContact CD2-CD2 4.47Å; Y154-L219 HydrophobicContact CE1-CB 3.91Å; Y154-L219 HydrophobicContact CE1-CD1 4.35Å; Y154-L219 HydrophobicContact CE1-CG 4.5Å; Y154-L219 HydrophobicContact CE2-CD1 3.82Å; Y154-L219 HydrophobicContact CG-CD2 4.34Å; V157-L219 HydrophobicContact CG1-CD2 4.45Å; V157-L219 HydrophobicContact CG2-CD2 4.18Å; F159-L219 HydrophobicContact CZ-CD2 4.12Å; E210-L219 HydrophobicContact CG-CD1 4.16Å; L213-L219 HydrophobicContact CB-CD1 3.65Å; L213-L219 HydrophobicContact CB-CG 3.75Å; L213-L219 HydrophobicContact CD1-CD1 4Å; L213-L219 HydrophobicContact CD1-CD2 4.1Å; L213-L219 HydrophobicContact CD1-CG 4.1Å; L213-L219 HydrophobicContact CG-CD1 4.48Å; N214-L219 WeakPolarHBondContact OD1-CB 3.3Å
220P90.5Very high75.9Confident44 Ų4492.3 Ų92.329%0.28650%0.504SS..PPolyproline II helixtrans-66.2161170.529.7-32.9000110.3Y154 V157Y154-P220 HydrophobicContact CD1-CG 4.05Å; Y154-P220 WeakPolarHBondContact CE1-O 3.49Å; V157-P220 HydrophobicContact CG2-CG 3.73Å
221E82.7Confident73.3Confident160 Ų16099.7 Ų99.775%0.74854%0.539SS*.PPolyproline II helixtrans-62.7140.1170.9-71.5-180172.600110.2
222K76.4Confident70.8Confident81 Ų81105.9 Ų105.935%0.35256%0.557SS.*PPolyproline II helixtrans-70.9135.3170-74.6177.2167.8170.60108.1E153 Y154 E210 L224E153-K222 WeakPolarHBondContact OE2-CE 3.4Å; E153-K222 IonicContact OE2-NZ 3.66Å; E153-K222 PolarHBondContact OE2-NZ 3.49Å; Y154-K222 HydrophobicContact CE1-CG 3.77Å; Y154-K222 VanDerWaalsContact CZ-CE 3.41Å; Y154-K222 WeakPolarHBondContact OH-CE 3.16Å; E210-K222 WeakPolarHBondContact OE1-CE 3.45Å; E210-K222 IonicContact OE1-NZ 3.74Å; E210-K222 PolarHBondContact OE1-NZ 3.42Å; E210-K222 IonicContact OE2-NZ 2.98Å; E210-K222 PolarHBondContact OE2-NZ 3.44Å; K222-L224 VanDerWaalsContact C-N 3.33Å; K222-L224 PolarHBondContact O-N 3.46Å
223E62.3Low68.4Low135 Ų135113.7 Ų113.763%0.63159%0.593SS**  trans-64.598.7166.3-57.7-163.6150.400107.1H94H94-E223 IonicContact CE1-OE1 3.68Å
224L54.7Low65.8Low138 Ų138121.2 Ų121.272%0.72363%0.634SS**PPolyproline II helixtrans-63.2128.3170.6-71170.3000107K222 G226K222-L224 VanDerWaalsContact C-N 3.33Å; K222-L224 PolarHBondContact O-N 3.46Å; L224-G226 PolarHBondContact O-N 2.72Å; L224-G226 VanDerWaalsContact O-N 3.09Å
225P48.5Very low63.2Low118 Ų118125.4 Ų125.477%0.76666%0.661SS**PPolyproline II helixtrans-57.8120.5165.724.1-29.5000106.7E227P225-E227 PolarHBondContact O-N 2.99Å
226G44.3Very low60.7Low61 Ų61133.9 Ų133.963%0.62969%0.691SS**PPolyproline II helixtrans-47.3126.6-165.400000113.2L224 D228L224-G226 PolarHBondContact O-N 2.72Å; L224-G226 VanDerWaalsContact O-N 3.09Å; G226-D228 PolarHBondContact O-N 2.89Å
227E42.1Very low58.9Low185 Ų185134.3 Ų134.386%0.86470%0.701SS**  trans-71.861.1159.7-67.1178.5165.800108.6P225P225-E227 PolarHBondContact O-N 2.99Å
228D46Very low57.1Low144 Ų144138 Ų13877%0.7770%0.704SS**  trans-102.179.6167.4-74.9-39.7000106.5G226G226-D228 PolarHBondContact O-N 2.89Å
229E46.7Very low54.9Low190 Ų190144.9 Ų144.989%0.88874%0.739SS**SBendtrans172.954.4158.9-98.9174.2-14200112.1
230E44.7Very low52.6Low197 Ų197152.6 Ų152.692%0.92178%0.778SS**SBendtrans-159.736.2164.9-116172.3-125.900115.7
231E42.5Very low50.2Low186 Ų186159.4 Ų159.487%0.86981%0.809SS**SBendtrans-144.248.3163.4-72.7-163.8179.200112.3
232E42.3Very low48Very low191 Ų191159.3 Ų159.389%0.89381%0.813SS**  trans-125.761.1159.6-88-167.2173.400109.6
233H45.4Very low46Very low183 Ų183164.9 Ų164.985%0.84785%0.845SS**  trans-15478.9160-117.3-75.4000109.8
234D43.2Very low44.8Very low158 Ų158167.2 Ų167.285%0.84586%0.862SS**  trans-169.782.2149.4-103.9-17.1000111.1
235V40Very low43.9Very low155 Ų155169.7 Ų169.794%0.93987%0.874SS**  trans-162103.4134.6-117.80000108.8
236E41.7Very low43.5Very low268 Ų268174.4 Ų174.4100%1.25288%0.883SS**  trans-101.10153.2-160.3178-160.900108.6

Retrieved 236 of 236 residues in 45.5 ms (Link to these results)

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