A0A087WR20_MOUSE Loading...

Cathepsin H

AlphaFold DB , UniProt , Accession A0A087WR20, Species MOUSE (Mus musculus, Mouse), Gene Ctsh, Length 290 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
1A38.2Very low38Very low153 Ų153142.7 Ų142.7100%1.26487%0.87SS**  0103.7000000108.2
2L31Very low38.1Very low167 Ų167144.3 Ų144.387%0.87487%0.868SS**PPolyproline II helixtrans-90.7139.7172.6-98.379.4000108.7
3P42.7Very low37.9Very low120 Ų120141.9 Ų141.978%0.77986%0.863SS**PPolyproline II helixtrans-88.3127.416732.1-25.3000110.4
4L37.3Very low38.1Very low164 Ų164141.1 Ų141.186%0.85986%0.858SS**PPolyproline II helixtrans-67.4127.5169.8-92.491.6000110.5
5L38.4Very low38Very low175 Ų175136.4 Ų136.492%0.91685%0.85SS**  trans-82.7113.4163.7-82153.5000109.1A7L5-A7 PolarHBondContact O-N 2.89Å
6C36.1Very low38.3Very low125 Ų125133.8 Ų133.885%0.84585%0.846SS**  trans-84.6103.2164.8-80.80000109.2G8C6-G8 PolarHBondContact O-N 2.85Å
7A40.7Very low39.3Very low100 Ų100133.7 Ų133.783%0.82684%0.844SS**  trans-78.8105.416600000108.8L5 A9L5-A7 PolarHBondContact O-N 2.89Å; A7-A9 PolarHBondContact O-N 3.48Å
8G38.4Very low40.5Very low63 Ų63131.6 Ų131.665%0.64984%0.841SS**  trans-71.7109.9168.900000109.8C6 W10C6-G8 PolarHBondContact O-N 2.85Å; G8-W10 PolarHBondContact O-N 3.49Å
9A39.1Very low42.2Very low93 Ų93133.4 Ų133.477%0.76984%0.837SS**  trans-70.3108.2171.100000109.1A7 L11A7-A9 PolarHBondContact O-N 3.48Å; A9-L11 PolarHBondContact O-N 2.96Å; A9-L11 VanDerWaalsContact O-N 3.12Å
10W40.2Very low44.2Very low244 Ų244130.1 Ų130.192%0.92481%0.813SS**  trans-72.199.9166.1-73.478.6000107.9G8 L12G8-W10 PolarHBondContact O-N 3.49Å; W10-L12 PolarHBondContact O-N 3.33Å
11L36.2Very low46.4Very low166 Ų166130 Ų13087%0.86981%0.812SS**  trans-65.6101.3165.5-82.2157.1000107.9A9 S13A9-L11 PolarHBondContact O-N 2.96Å; A9-L11 VanDerWaalsContact O-N 3.12Å; L11-S13 PolarHBondContact O-N 2.83Å
12L39.1Very low49.1Very low161 Ų161123.4 Ų123.484%0.84376%0.756SS**  trans-64.798.6162.1-74.5164.5000107.4W10 T14W10-L12 PolarHBondContact O-N 3.33Å; L12-T14 PolarHBondContact O-N 3.24Å
13S35.8Very low52.1Low114 Ų114119 Ų11980%0.79773%0.733SS**  trans-68.498.6167.560.50000108.3L11 G15L11-S13 PolarHBondContact O-N 2.83Å; S13-G15 PolarHBondContact O-N 2.66Å
14T40.8Very low54.5Low130 Ų130117 Ų11780%0.79873%0.727SS**  trans-68100.7162.546.20000107.1L12 A16L12-T14 PolarHBondContact O-N 3.24Å; T14-A16 VanDerWaalsContact C-N 3.31Å; T14-A16 PolarHBondContact O-N 3.34Å
15G36.4Very low57.3Low71 Ų71114.6 Ų114.673%0.73271%0.714SS**  trans-64.493171.700000109.4S13 T17S13-G15 PolarHBondContact O-N 2.66Å; G15-T17 PolarHBondContact O-N 2.88Å; G15-T17 VanDerWaalsContact O-N 3.12Å
16A43.2Very low60Low95 Ų95106.6 Ų106.679%0.78567%0.672SS**  trans-65.8108167.300000107.7T14 A18T14-A16 VanDerWaalsContact C-N 3.31Å; T14-A16 PolarHBondContact O-N 3.34Å; A16-A18 PolarHBondContact O-N 3.46Å; A16-A18 VanDerWaalsContact O-N 3.14Å
17T54.6Low62.9Low132 Ų132105.2 Ų105.281%0.8165%0.651SS**  trans-62.7113.5168.4490000108G15 E19G15-T17 PolarHBondContact O-N 2.88Å; G15-T17 VanDerWaalsContact O-N 3.12Å; T17-E19 PolarHBondContact O-N 3.47Å
18A61Low65.5Low96 Ų96107.2 Ų107.279%0.79364%0.642SS**PPolyproline II helixtrans-57.6125.9177.200000110.2A16A16-A18 PolarHBondContact O-N 3.46Å; A16-A18 VanDerWaalsContact O-N 3.14Å
19E72.5Confident68.3Low165 Ų165107.4 Ų107.477%0.77163%0.625SS**PPolyproline II helixtrans-61.6137.4174.9-70.7-173.3168.100110.4T17T17-E19 PolarHBondContact O-N 3.47Å
20L82.6Confident71.1Confident68 Ų68103 Ų10336%0.35659%0.589SS.*PPolyproline II helixtrans-68.9137.3177-64.7146.6000109.2V22 Q51 N55L20-V22 PolarHBondContact O-N 3.47Å; L20-Q51 VanDerWaalsContact CB-OE1 3.26Å; L20-Q51 PolarHBondContact O-NE2 3.05Å; L20-Q51 PolarHBondContact O-OE1 3Å; L20-N55 HydrophobicContact CD1-CB 3.86Å
21T90.9Very high73.7Confident128 Ų12897.8 Ų97.879%0.78557%0.573SS**  trans-71.4111.7167.7-48.20000109.1R58T21-R58 PolarHBondContact O-NH2 2.7Å
22V93.2Very high76.6Confident15 Ų1593 Ų939%0.09155%0.553CS.*  trans-94.9125.4-179-173.70000110.9L20 E26 K27 L50 A54L20-V22 PolarHBondContact O-N 3.47Å; V22-E26 WeakPolarHBondContact CA-OE2 3.26Å; V22-E26 HydrophobicContact CG1-CB 3.59Å; V22-E26 WeakPolarHBondContact CG1-OE2 3.37Å; V22-K27 HydrophobicContact CG1-CG 4.02Å; V22-K27 WeakPolarHBondContact O-CE 3.45Å; V22-L50 HydrophobicContact CG1-CD1 3.95Å; V22-L50 HydrophobicContact CG1-CD2 4.27Å; V22-L50 HydrophobicContact CG1-CG 4.06Å; V22-L50 HydrophobicContact CG2-CG 4.41Å; V22-A54 HydrophobicContact CB-CB 4.5Å; V22-A54 HydrophobicContact CG1-CB 3.88Å; V22-A54 HydrophobicContact CG2-CB 3.88Å
23N93.9Very high79.4Confident73 Ų7385.5 Ų85.539%0.3951%0.514SS..  trans-83.8172.3-176.172.348.1000113.1I25 E26 K27N23-I25 VanDerWaalsContact C-N 3.34Å; N23-I25 PolarHBondContact O-N 2.89Å; N23-I25 WeakPolarHBondContact OD1-CA 3.2Å; N23-I25 WeakPolarHBondContact OD1-CB 3.41Å; N23-I25 PolarHBondContact OD1-N 3.49Å; N23-E26 PolarHBondContact N-OE2 2.95Å; N23-E26 PolarHBondContact ND2-OE1 3.47Å; N23-E26 PolarHBondContact ND2-OE2 3.22Å; N23-E26 PolarHBondContact O-N 3.45Å; N23-E26 WeakPolarHBondContact OD1-CG 3.28Å; N23-E26 PolarHBondContact OD1-N 3.02Å; N23-K27 WeakPolarHBondContact O-CG 3.39Å; N23-K27 PolarHBondContact O-N 2.9Å; N23-K27 VanDerWaalsContact O-N 3.12Å
24A94.9Very high82.3Confident80 Ų8081.3 Ų81.366%0.66148%0.482SS*.Hα-helixtrans-65.4-34.6-176.500000113.5K27 F28A24-K27 PolarHBondContact O-N 3.18Å; A24-F28 WeakPolarHBondContact O-CB 3.18Å; A24-F28 PolarHBondContact O-N 3.42Å
25I94.6Very high84.9Confident113 Ų11383.7 Ų83.758%0.57948%0.481SS*.Hα-helixtrans-67.9-45.6179.3-65.5171.5000109.8N23 K27 F28 H29N23-I25 VanDerWaalsContact C-N 3.34Å; N23-I25 PolarHBondContact O-N 2.89Å; N23-I25 WeakPolarHBondContact OD1-CA 3.2Å; N23-I25 WeakPolarHBondContact OD1-CB 3.41Å; N23-I25 PolarHBondContact OD1-N 3.49Å; I25-K27 VanDerWaalsContact C-N 3.34Å; I25-K27 PolarHBondContact O-N 3.32Å; I25-F28 WeakPolarHBondContact O-CB 3.38Å; I25-F28 PolarHBondContact O-N 3.27Å; I25-H29 PolarHBondContact O-CD2 2.95Å; I25-H29 VanDerWaalsContact O-CD2 3.27Å; I25-H29 PolarHBondContact O-N 2.99Å
26E96.3Very high87.6Confident7 Ų786.5 Ų86.53%0.03348%0.475CS..Hα-helixtrans-60.2-44176.1-70164.516200111.3V22 N23 F28 H29 F30 A54 R58V22-E26 WeakPolarHBondContact CA-OE2 3.26Å; V22-E26 HydrophobicContact CG1-CB 3.59Å; V22-E26 WeakPolarHBondContact CG1-OE2 3.37Å; N23-E26 PolarHBondContact N-OE2 2.95Å; N23-E26 PolarHBondContact ND2-OE1 3.47Å; N23-E26 PolarHBondContact ND2-OE2 3.22Å; N23-E26 PolarHBondContact O-N 3.45Å; N23-E26 WeakPolarHBondContact OD1-CG 3.28Å; N23-E26 PolarHBondContact OD1-N 3.02Å; E26-F28 PolarHBondContact O-N 2.87Å; E26-H29 PolarHBondContact O-N 3.34Å; E26-F30 WeakPolarHBondContact O-CB 3.37Å; E26-F30 PolarHBondContact O-N 2.94Å; E26-A54 HydrophobicContact CB-CB 4.4Å; E26-R58 VanDerWaalsContact CD-NH2 3.35Å; E26-R58 IonicContact OE1-CZ 3.02Å; E26-R58 VanDerWaalsContact OE1-CZ 3.3Å; E26-R58 IonicContact OE1-NE 3.5Å; E26-R58 PolarHBondContact OE1-NE 3.33Å; E26-R58 IonicContact OE1-NH2 2.71Å; E26-R58 PolarHBondContact OE1-NH2 3.44Å; E26-R58 IonicContact OE2-CZ 2.63Å; E26-R58 IonicContact OE2-NE 2.75Å; E26-R58 IonicContact OE2-NH2 3.25Å; E26-R58 PolarHBondContact OE2-NH2 3.36Å
27K96.1Very high90Very high96 Ų9683.6 Ų83.642%0.41745%0.445SS..Hα-helixtrans-61.4-42174.5-72.4173.2-175.8177.30112.3V22 N23 A24 I25 K31 L50V22-K27 HydrophobicContact CG1-CG 4.02Å; V22-K27 WeakPolarHBondContact O-CE 3.45Å; N23-K27 WeakPolarHBondContact O-CG 3.39Å; N23-K27 PolarHBondContact O-N 2.9Å; N23-K27 VanDerWaalsContact O-N 3.12Å; A24-K27 PolarHBondContact O-N 3.18Å; I25-K27 VanDerWaalsContact C-N 3.34Å; I25-K27 PolarHBondContact O-N 3.32Å; K27-K31 WeakPolarHBondContact O-CG 3.25Å; K27-K31 PolarHBondContact O-N 3.16Å; K27-K31 VanDerWaalsContact O-N 3.12Å; K27-L50 HydrophobicContact CG-CD1 4.2Å; K27-L50 HydrophobicContact CG-CD2 3.93Å
28F96.4Very high91.8Very high142 Ų14285.8 Ų85.862%0.62345%0.446SS*.Hα-helixtrans-63.4-48.4177.8176.8-94.8000111.4A24 I25 E26 F30 K31 S32A24-F28 WeakPolarHBondContact O-CB 3.18Å; A24-F28 PolarHBondContact O-N 3.42Å; I25-F28 WeakPolarHBondContact O-CB 3.38Å; I25-F28 PolarHBondContact O-N 3.27Å; E26-F28 PolarHBondContact O-N 2.87Å; F28-F30 PolarHBondContact O-N 2.99Å; F28-K31 PolarHBondContact O-N 3.38Å; F28-S32 PolarHBondContact O-N 3.37Å; F28-S32 VanDerWaalsContact O-N 3.08Å
29H96.2Very high93.4Very high66 Ų6684.8 Ų84.831%0.30642%0.424SS..Hα-helixtrans-64.5-38.2177.6-80.6-70.9000112.7I25 E26 K31 S32 W33 F53 W57I25-H29 PolarHBondContact O-CD2 2.95Å; I25-H29 VanDerWaalsContact O-CD2 3.27Å; I25-H29 PolarHBondContact O-N 2.99Å; E26-H29 PolarHBondContact O-N 3.34Å; H29-K31 PolarHBondContact O-N 3.4Å; H29-S32 PolarHBondContact O-N 3.49Å; H29-W33 WeakPolarHBondContact O-CB 3.39Å; H29-W33 PolarHBondContact O-N 3.26Å; H29-F53 HydrophobicContact CB-CE1 4.15Å; H29-F53 HydrophobicContact CB-CZ 4.27Å; H29-W57 HydrophobicContact CB-CE3 4.07Å; H29-W57 HydrophobicContact CB-CH2 3.83Å; H29-W57 HydrophobicContact CB-CZ3 3.47Å; H29-W57 VanDerWaalsContact CB-CZ3 3.47Å; H29-W57 AromaticContact CD2-CH2 3.49Å; H29-W57 VanDerWaalsContact CD2-CH2 3.49Å; H29-W57 WeakPolarHBondContact CD2-CH2 3.29Å; H29-W57 AromaticContact CD2-CZ2 3.77Å; H29-W57 AromaticContact CE1-CH2 3.61Å; H29-W57 AromaticContact CG-CH2 3.28Å; H29-W57 AromaticContact CG-CZ3 3.49Å; H29-W57 VanDerWaalsContact CG-CZ3 3.49Å; H29-W57 AromaticContact ND1-CH2 3.37Å; H29-W57 WeakPolarHBondContact ND1-CH2 3.25Å; H29-W57 AromaticContact ND1-CZ3 3.74Å; H29-W57 AromaticContact NE2-CH2 3.7Å; H29-W57 AromaticContact NE2-CZ2 3.98Å
30F97.8Very high94.4Very high0 Ų083 Ų830%043%0.425CS..Hα-helixtrans-61.3-44.2175.6-176.8-123.9000111.7E26 F28 S32 W33 M34 Y41 Y46 R49 L50 F53 D79E26-F30 WeakPolarHBondContact O-CB 3.37Å; E26-F30 PolarHBondContact O-N 2.94Å; F28-F30 PolarHBondContact O-N 2.99Å; F30-S32 VanDerWaalsContact C-N 3.35Å; F30-S32 PolarHBondContact O-N 3.01Å; F30-W33 HydrophobicContact CD2-CE3 4.1Å; F30-W33 AromaticContact CE2-CE3 3.89Å; F30-W33 HydrophobicContact CE2-CE3 3.89Å; F30-W33 HydrophobicContact CE2-CZ3 4.07Å; F30-W33 PolarHBondContact O-N 3.39Å; F30-M34 HydrophobicContact CD1-CG 4.47Å; F30-M34 HydrophobicContact CD1-SD 3.93Å; F30-M34 HydrophobicContact CD2-CG 4.35Å; F30-M34 HydrophobicContact CE1-CG 4.16Å; F30-M34 HydrophobicContact CE1-SD 3.47Å; F30-M34 WeakPolarHBondContact CE1-SD 3.24Å; F30-M34 HydrophobicContact CE2-CG 4.01Å; F30-M34 HydrophobicContact CE2-SD 4.39Å; F30-M34 HydrophobicContact CZ-CG 3.91Å; F30-M34 HydrophobicContact CZ-SD 3.73Å; F30-M34 WeakPolarHBondContact O-CG 3.46Å; F30-M34 PolarHBondContact O-N 2.93Å; F30-Y41 HydrophobicContact CZ-CD2 4.21Å; F30-Y41 HydrophobicContact CZ-CE2 4.02Å; F30-Y46 AromaticContact CD1-CE2 3.89Å; F30-Y46 HydrophobicContact CD1-CE2 3.89Å; F30-Y46 AromaticContact CD1-CZ 3.87Å; F30-Y46 AromaticContact CE1-CD2 3.9Å; F30-Y46 HydrophobicContact CE1-CD2 3.9Å; F30-Y46 HydrophobicContact CE1-CE1 4.49Å; F30-Y46 AromaticContact CE1-CE2 3.59Å; F30-Y46 HydrophobicContact CE1-CE2 3.59Å; F30-Y46 HydrophobicContact CE1-CG 4.48Å; F30-Y46 AromaticContact CE1-CZ 3.91Å; F30-R49 HydrophobicContact CE1-CB 4.49Å; F30-R49 HydrophobicContact CE2-CB 4.35Å; F30-R49 HydrophobicContact CZ-CB 3.64Å; F30-L50 HydrophobicContact CB-CD1 3.64Å; F30-L50 HydrophobicContact CD1-CB 3.88Å; F30-L50 HydrophobicContact CD1-CD1 3.52Å; F30-L50 HydrophobicContact CD1-CG 4.26Å; F30-L50 HydrophobicContact CE1-CB 3.82Å; F30-L50 HydrophobicContact CE1-CD1 4.35Å; F30-L50 HydrophobicContact CG-CD1 3.71Å; F30-F53 HydrophobicContact CB-CD1 3.65Å; F30-F53 HydrophobicContact CB-CE1 3.78Å; F30-F53 HydrophobicContact CB-CG 4.19Å; F30-F53 HydrophobicContact CB-CZ 4.39Å; F30-F53 HydrophobicContact CD2-CB 3.51Å; F30-F53 AromaticContact CD2-CD1 3.77Å; F30-F53 HydrophobicContact CD2-CD1 3.77Å; F30-F53 AromaticContact CD2-CD2 3.65Å; F30-F53 HydrophobicContact CD2-CD2 3.65Å; F30-F53 HydrophobicContact CD2-CE1 4.34Å; F30-F53 HydrophobicContact CD2-CE2 4.23Å; F30-F53 AromaticContact CD2-CG 3.36Å; F30-F53 HydrophobicContact CD2-CG 3.36Å; F30-F53 HydrophobicContact CE2-CB 3.83Å; F30-F53 HydrophobicContact CE2-CD2 4.28Å; F30-F53 HydrophobicContact CE2-CG 4.1Å; F30-F53 HydrophobicContact CG-CB 4.31Å; F30-F53 HydrophobicContact CG-CD1 4.08Å; F30-F53 HydrophobicContact CG-CG 4.13Å; F30-D79 HydrophobicContact CE2-CB 4.06Å
31K96.2Very high94.9Very high135 Ų13582 Ų8259%0.58742%0.416SS*.Hα-helixtrans-61.2-41.7175.4-72.9-178.9178.6-1740112.5K27 F28 H29 K35K27-K31 WeakPolarHBondContact O-CG 3.25Å; K27-K31 PolarHBondContact O-N 3.16Å; K27-K31 VanDerWaalsContact O-N 3.12Å; F28-K31 PolarHBondContact O-N 3.38Å; H29-K31 PolarHBondContact O-N 3.4Å; K31-K35 PolarHBondContact O-N 2.9Å; K31-K35 VanDerWaalsContact O-N 3.17Å
32S96.4Very high95.1Very high65 Ų6579.2 Ų79.246%0.45540%0.402SS..Hα-helixtrans-63.2-44.5174.8-170.20000111.7F28 H29 F30 K35 Q36F28-S32 PolarHBondContact O-N 3.37Å; F28-S32 VanDerWaalsContact O-N 3.08Å; H29-S32 PolarHBondContact O-N 3.49Å; F30-S32 VanDerWaalsContact C-N 3.35Å; F30-S32 PolarHBondContact O-N 3.01Å; S32-K35 PolarHBondContact O-N 3.23Å; S32-Q36 PolarHBondContact O-N 3.36Å
33W97.3Very high94.8Very high5 Ų583.5 Ų83.52%0.01943%0.433CS..Hα-helixtrans-62-44.1177.7177.892.4000111.7H29 F30 K35 Q36 H37 K39 F53 N75 D79H29-W33 WeakPolarHBondContact O-CB 3.39Å; H29-W33 PolarHBondContact O-N 3.26Å; F30-W33 HydrophobicContact CD2-CE3 4.1Å; F30-W33 AromaticContact CE2-CE3 3.89Å; F30-W33 HydrophobicContact CE2-CE3 3.89Å; F30-W33 HydrophobicContact CE2-CZ3 4.07Å; F30-W33 PolarHBondContact O-N 3.39Å; W33-K35 VanDerWaalsContact C-N 3.29Å; W33-K35 PolarHBondContact O-N 3.31Å; W33-Q36 PolarHBondContact O-N 2.9Å; W33-Q36 VanDerWaalsContact O-N 3.17Å; W33-H37 AromaticContact CD1-CD2 3.43Å; W33-H37 VanDerWaalsContact CD1-CD2 3.43Å; W33-H37 AromaticContact CD1-NE2 3.67Å; W33-H37 AromaticContact CD2-CD2 3.83Å; W33-H37 AromaticContact CE2-CD2 3.37Å; W33-H37 AromaticContact CE2-CG 3.99Å; W33-H37 AromaticContact CE2-NE2 3.95Å; W33-H37 AromaticContact CG-CD2 3.85Å; W33-H37 HydrophobicContact CH2-CB 4.47Å; W33-H37 HydrophobicContact CZ2-CB 4.33Å; W33-H37 AromaticContact CZ2-CD2 3.91Å; W33-H37 AromaticContact NE1-CD2 3.16Å; W33-H37 PolarHBondContact NE1-CD2 3.28Å; W33-H37 AromaticContact NE1-NE2 3.31Å; W33-H37 PolarHBondContact NE1-NE2 2.8Å; W33-H37 PolarHBondContact O-CD2 3.24Å; W33-H37 PolarHBondContact O-N 2.95Å; W33-K39 HydrophobicContact CH2-CG 3.94Å; W33-K39 HydrophobicContact CZ3-CB 4.36Å; W33-K39 HydrophobicContact CZ3-CG 3.79Å; W33-F53 HydrophobicContact CB-CE2 3.69Å; W33-F53 HydrophobicContact CB-CZ 3.96Å; W33-F53 AromaticContact CD1-CE2 3.77Å; W33-F53 HydrophobicContact CD2-CD2 4.21Å; W33-F53 AromaticContact CD2-CE2 3.94Å; W33-F53 HydrophobicContact CD2-CE2 3.94Å; W33-F53 HydrophobicContact CG-CD2 4.23Å; W33-F53 AromaticContact CG-CE2 3.49Å; W33-F53 HydrophobicContact CG-CE2 3.49Å; W33-F53 VanDerWaalsContact CG-CE2 3.49Å; W33-F53 HydrophobicContact CG-CZ 4.25Å; W33-N75 WeakPolarHBondContact CZ2-O 3.15Å; W33-N75 PolarHBondContact NE1-O 3.27Å; W33-D79 HydrophobicContact CH2-CB 3.76Å; W33-D79 VanDerWaalsContact CH2-OD1 3.26Å; W33-D79 WeakPolarHBondContact CH2-OD1 3.34Å; W33-D79 WeakPolarHBondContact CH2-OD2 3.48Å; W33-D79 HydrophobicContact CZ2-CB 4.44Å; W33-D79 HydrophobicContact CZ3-CB 3.85Å; W33-D79 WeakPolarHBondContact CZ3-OD2 3.49Å
34M97.1Very high94.3Very high25 Ų2586 Ų8612%0.12345%0.451CS..Hα-helixtrans-58-42.9175.1-74.5179.464.100111.7F30 H37 Q38 K39 Y41 Y46F30-M34 HydrophobicContact CD1-CG 4.47Å; F30-M34 HydrophobicContact CD1-SD 3.93Å; F30-M34 HydrophobicContact CD2-CG 4.35Å; F30-M34 HydrophobicContact CE1-CG 4.16Å; F30-M34 HydrophobicContact CE1-SD 3.47Å; F30-M34 WeakPolarHBondContact CE1-SD 3.24Å; F30-M34 HydrophobicContact CE2-CG 4.01Å; F30-M34 HydrophobicContact CE2-SD 4.39Å; F30-M34 HydrophobicContact CZ-CG 3.91Å; F30-M34 HydrophobicContact CZ-SD 3.73Å; F30-M34 WeakPolarHBondContact O-CG 3.46Å; F30-M34 PolarHBondContact O-N 2.93Å; M34-H37 CarbonylContact O-C 3.58Å; M34-H37 PolarHBondContact O-N 2.86Å; M34-Q38 WeakPolarHBondContact O-CA 3.03Å; M34-Q38 PolarHBondContact O-N 3.12Å; M34-K39 HydrophobicContact CB-CB 4.29Å; M34-K39 WeakPolarHBondContact CE-O 3.41Å; M34-K39 HydrophobicContact CG-CB 4.3Å; M34-K39 PolarHBondContact O-N 3.33Å; M34-Y41 HydrophobicContact CE-CD2 3.64Å; M34-Y41 HydrophobicContact CE-CE2 4.15Å; M34-Y41 HydrophobicContact CE-CG 4.47Å; M34-Y41 HydrophobicContact CG-CE2 4.29Å; M34-Y41 HydrophobicContact SD-CD2 4.08Å; M34-Y41 HydrophobicContact SD-CE2 4.35Å; M34-Y46 HydrophobicContact CE-CD2 4.19Å; M34-Y46 HydrophobicContact CE-CE2 4.33Å; M34-Y46 HydrophobicContact SD-CD2 3.88Å; M34-Y46 HydrophobicContact SD-CE2 3.57Å; M34-Y46 VanDerWaalsContact SD-CE2 3.57Å
35K95Very high94.3Very high181 Ų18185.7 Ų85.779%0.78744%0.435SS*.Hα-helixtrans-64-43.6176.8-173.3178.2179.7-178.40111.6K31 S32 W33 H37 Q38K31-K35 PolarHBondContact O-N 2.9Å; K31-K35 VanDerWaalsContact O-N 3.17Å; S32-K35 PolarHBondContact O-N 3.23Å; W33-K35 VanDerWaalsContact C-N 3.29Å; W33-K35 PolarHBondContact O-N 3.31Å; K35-H37 PolarHBondContact O-N 2.72Å; K35-Q38 PolarHBondContact O-N 3.41Å
36Q94Very high94.3Very high130 Ų13082.7 Ų82.761%0.60742%0.417SS*.Hα-helixtrans-62.1-41.3178.3179.6179.6-4.400112.3S32 W33S32-Q36 PolarHBondContact O-N 3.36Å; W33-Q36 PolarHBondContact O-N 2.9Å; W33-Q36 VanDerWaalsContact O-N 3.17Å
37H92Very high94.1Very high34 Ų3487.1 Ų87.116%0.15744%0.441CS..THydrogen-bonded Turntrans-9611.5-177.8-69.5-80.3000113.8W33 M34 K35 K39W33-H37 AromaticContact CD1-CD2 3.43Å; W33-H37 VanDerWaalsContact CD1-CD2 3.43Å; W33-H37 AromaticContact CD1-NE2 3.67Å; W33-H37 AromaticContact CD2-CD2 3.83Å; W33-H37 AromaticContact CE2-CD2 3.37Å; W33-H37 AromaticContact CE2-CG 3.99Å; W33-H37 AromaticContact CE2-NE2 3.95Å; W33-H37 AromaticContact CG-CD2 3.85Å; W33-H37 HydrophobicContact CH2-CB 4.47Å; W33-H37 HydrophobicContact CZ2-CB 4.33Å; W33-H37 AromaticContact CZ2-CD2 3.91Å; W33-H37 AromaticContact NE1-CD2 3.16Å; W33-H37 PolarHBondContact NE1-CD2 3.28Å; W33-H37 AromaticContact NE1-NE2 3.31Å; W33-H37 PolarHBondContact NE1-NE2 2.8Å; W33-H37 PolarHBondContact O-CD2 3.24Å; W33-H37 PolarHBondContact O-N 2.95Å; M34-H37 CarbonylContact O-C 3.58Å; M34-H37 PolarHBondContact O-N 2.86Å; K35-H37 PolarHBondContact O-N 2.72Å; H37-K39 HydrophobicContact CB-CG 3.94Å; H37-K39 PolarHBondContact O-N 3.37Å
38Q94.3Very high93.9Very high177 Ų17787.4 Ų87.483%0.82744%0.444SS*.THydrogen-bonded Turntrans51.440.3178.7-55.5178.811.500113.2M34 K35M34-Q38 WeakPolarHBondContact O-CA 3.03Å; M34-Q38 PolarHBondContact O-N 3.12Å; K35-Q38 PolarHBondContact O-N 3.41Å
39K92.9Very high93.9Very high76 Ų7681.7 Ų81.733%0.3342%0.418SS..  trans-92.6138.8-178.3-61.7-62.8-167.5164.90111.6W33 M34 H37 Y41W33-K39 HydrophobicContact CH2-CG 3.94Å; W33-K39 HydrophobicContact CZ3-CB 4.36Å; W33-K39 HydrophobicContact CZ3-CG 3.79Å; M34-K39 HydrophobicContact CB-CB 4.29Å; M34-K39 WeakPolarHBondContact CE-O 3.41Å; M34-K39 HydrophobicContact CG-CB 4.3Å; M34-K39 PolarHBondContact O-N 3.33Å; H37-K39 HydrophobicContact CB-CG 3.94Å; H37-K39 PolarHBondContact O-N 3.37Å; K39-Y41 HydrophobicContact CB-CE2 3.94Å; K39-Y41 WeakPolarHBondContact CD-OH 3.45Å; K39-Y41 WeakPolarHBondContact CG-OH 3.42Å
40T93.3Very high93.9Very high128 Ų12879 Ų7979%0.78541%0.406SS*.  trans-133.4132.9172.755.50000109.3
41Y94.4Very high93.8Very high46 Ų4680.9 Ų80.918%0.1842%0.415CS..  trans-126.7148.8-177.7-61.9-53.2000111F30 M34 K39 E45 R49 D79F30-Y41 HydrophobicContact CZ-CD2 4.21Å; F30-Y41 HydrophobicContact CZ-CE2 4.02Å; M34-Y41 HydrophobicContact CE-CD2 3.64Å; M34-Y41 HydrophobicContact CE-CE2 4.15Å; M34-Y41 HydrophobicContact CE-CG 4.47Å; M34-Y41 HydrophobicContact CG-CE2 4.29Å; M34-Y41 HydrophobicContact SD-CD2 4.08Å; M34-Y41 HydrophobicContact SD-CE2 4.35Å; K39-Y41 HydrophobicContact CB-CE2 3.94Å; K39-Y41 WeakPolarHBondContact CD-OH 3.45Å; K39-Y41 WeakPolarHBondContact CG-OH 3.42Å; Y41-E45 VanDerWaalsContact CD1-CD 3.48Å; Y41-E45 HydrophobicContact CD1-CG 3.79Å; Y41-E45 HydrophobicContact CG-CG 4.21Å; Y41-R49 HydrophobicContact CD1-CG 4.14Å; Y41-R49 HydrophobicContact CD2-CB 4.09Å; Y41-R49 HydrophobicContact CD2-CG 4Å; Y41-R49 HydrophobicContact CE1-CG 4.04Å; Y41-R49 HydrophobicContact CE2-CB 3.96Å; Y41-R49 HydrophobicContact CE2-CG 3.86Å; Y41-R49 HydrophobicContact CG-CG 4.16Å; Y41-D79 VanDerWaalsContact CZ-OD2 3.22Å; Y41-D79 PolarHBondContact OH-OD2 3.17Å
42S93.9Very high93.7Very high69 Ų6975.9 Ų75.948%0.48339%0.393SS..  trans-63.2158.4163.371.30000109.8V44 E45 Y46S42-V44 PolarHBondContact O-N 3.15Å; S42-V44 VanDerWaalsContact O-N 3.14Å; S42-E45 PolarHBondContact O-N 3.07Å; S42-E45 VanDerWaalsContact O-N 3.17Å; S42-E45 WeakPolarHBondContact OG-CB 3.48Å; S42-E45 PolarHBondContact OG-N 3.18Å; S42-Y46 VanDerWaalsContact O-CB 3.31Å; S42-Y46 WeakPolarHBondContact O-CB 3.37Å; S42-Y46 PolarHBondContact O-N 2.76Å
43S87Confident93.8Very high105 Ų10572.8 Ų72.873%0.73437%0.372SS*.Hα-helixtrans-56.6-33.8179.9-52.80000113.2
44V84.9Confident93.8Very high127 Ų12772.5 Ų72.577%0.7737%0.371SS*.Hα-helixtrans-71.1-48.8178.2-179.40000110.6S42 Y46S42-V44 PolarHBondContact O-N 3.15Å; S42-V44 VanDerWaalsContact O-N 3.14Å; V44-Y46 VanDerWaalsContact C-N 3.34Å; V44-Y46 PolarHBondContact O-N 3.14Å
45E93.3Very high93.7Very high73 Ų7373.6 Ų73.634%0.34138%0.377SS..Hα-helixtrans-67.4-35.8178.9-177.2172.2-169.100111.9Y41 S42 N47 H48 R49Y41-E45 VanDerWaalsContact CD1-CD 3.48Å; Y41-E45 HydrophobicContact CD1-CG 3.79Å; Y41-E45 HydrophobicContact CG-CG 4.21Å; S42-E45 PolarHBondContact O-N 3.07Å; S42-E45 VanDerWaalsContact O-N 3.17Å; S42-E45 WeakPolarHBondContact OG-CB 3.48Å; S42-E45 PolarHBondContact OG-N 3.18Å; E45-N47 VanDerWaalsContact C-N 3.3Å; E45-N47 PolarHBondContact O-N 3.43Å; E45-H48 PolarHBondContact O-N 2.81Å; E45-H48 VanDerWaalsContact O-N 3.13Å; E45-R49 HydrophobicContact CG-CG 3.73Å; E45-R49 VanDerWaalsContact O-CG 3.28Å; E45-R49 WeakPolarHBondContact O-CG 3.28Å; E45-R49 PolarHBondContact O-N 2.9Å; E45-R49 IonicContact OE1-CZ 2.86Å; E45-R49 IonicContact OE1-NE 3.3Å; E45-R49 PolarHBondContact OE1-NE 3.43Å; E45-R49 VanDerWaalsContact OE1-NE 3.08Å; E45-R49 IonicContact OE1-NH2 3.82Å; E45-R49 PolarHBondContact OE1-NH2 2.88Å
46Y94.8Very high93.8Very high49 Ų4965.1 Ų65.119%0.19234%0.341CS..Hα-helixtrans-54.2-45.9179.6177.8-85.1000112F30 M34 S42 V44 R49 L50F30-Y46 AromaticContact CD1-CE2 3.89Å; F30-Y46 HydrophobicContact CD1-CE2 3.89Å; F30-Y46 AromaticContact CD1-CZ 3.87Å; F30-Y46 AromaticContact CE1-CD2 3.9Å; F30-Y46 HydrophobicContact CE1-CD2 3.9Å; F30-Y46 HydrophobicContact CE1-CE1 4.49Å; F30-Y46 AromaticContact CE1-CE2 3.59Å; F30-Y46 HydrophobicContact CE1-CE2 3.59Å; F30-Y46 HydrophobicContact CE1-CG 4.48Å; F30-Y46 AromaticContact CE1-CZ 3.91Å; M34-Y46 HydrophobicContact CE-CD2 4.19Å; M34-Y46 HydrophobicContact CE-CE2 4.33Å; M34-Y46 HydrophobicContact SD-CD2 3.88Å; M34-Y46 HydrophobicContact SD-CE2 3.57Å; M34-Y46 VanDerWaalsContact SD-CE2 3.57Å; S42-Y46 VanDerWaalsContact O-CB 3.31Å; S42-Y46 WeakPolarHBondContact O-CB 3.37Å; S42-Y46 PolarHBondContact O-N 2.76Å; V44-Y46 VanDerWaalsContact C-N 3.34Å; V44-Y46 PolarHBondContact O-N 3.14Å; Y46-R49 PolarHBondContact O-N 2.97Å; Y46-L50 HydrophobicContact CE1-CB 4.41Å; Y46-L50 HydrophobicContact CE1-CD2 4.03Å; Y46-L50 VanDerWaalsContact O-CB 3.25Å; Y46-L50 WeakPolarHBondContact O-CB 3.34Å; Y46-L50 PolarHBondContact O-N 3.41Å
47N92.1Very high93.9Very high100 Ų10061 Ų6154%0.53532%0.319SS..Hα-helixtrans-64.2-43.5-179.7-74.9-22.4000111.2E45 L50 Q51E45-N47 VanDerWaalsContact C-N 3.3Å; E45-N47 PolarHBondContact O-N 3.43Å; N47-L50 PolarHBondContact O-N 3.3Å; N47-Q51 VanDerWaalsContact O-CG 3.25Å; N47-Q51 WeakPolarHBondContact O-CG 3.48Å; N47-Q51 PolarHBondContact O-N 3.12Å
48H93.4Very high94.2Very high102 Ų10263.4 Ų63.447%0.47233%0.327SS..Hα-helixtrans-61.9-47.1176-179.671.3000112.1E45 L50 Q51 M52E45-H48 PolarHBondContact O-N 2.81Å; E45-H48 VanDerWaalsContact O-N 3.13Å; H48-L50 VanDerWaalsContact C-N 3.34Å; H48-L50 PolarHBondContact O-N 2.94Å; H48-Q51 WeakPolarHBondContact O-CB 3.3Å; H48-Q51 PolarHBondContact O-N 2.98Å; H48-M52 WeakPolarHBondContact O-CG 3.5Å; H48-M52 PolarHBondContact O-N 2.65Å
49R96.3Very high94.2Very high23 Ų2358.3 Ų58.39%0.08730%0.302CS..Hα-helixtrans-63.6-38.5178.3-64.2-66.6178.4-165.4-1.3112.4F30 Y41 E45 Y46 M52 F53 D79 E84F30-R49 HydrophobicContact CE1-CB 4.49Å; F30-R49 HydrophobicContact CE2-CB 4.35Å; F30-R49 HydrophobicContact CZ-CB 3.64Å; Y41-R49 HydrophobicContact CD1-CG 4.14Å; Y41-R49 HydrophobicContact CD2-CB 4.09Å; Y41-R49 HydrophobicContact CD2-CG 4Å; Y41-R49 HydrophobicContact CE1-CG 4.04Å; Y41-R49 HydrophobicContact CE2-CB 3.96Å; Y41-R49 HydrophobicContact CE2-CG 3.86Å; Y41-R49 HydrophobicContact CG-CG 4.16Å; E45-R49 HydrophobicContact CG-CG 3.73Å; E45-R49 VanDerWaalsContact O-CG 3.28Å; E45-R49 WeakPolarHBondContact O-CG 3.28Å; E45-R49 PolarHBondContact O-N 2.9Å; E45-R49 IonicContact OE1-CZ 2.86Å; E45-R49 IonicContact OE1-NE 3.3Å; E45-R49 PolarHBondContact OE1-NE 3.43Å; E45-R49 VanDerWaalsContact OE1-NE 3.08Å; E45-R49 IonicContact OE1-NH2 3.82Å; E45-R49 PolarHBondContact OE1-NH2 2.88Å; Y46-R49 PolarHBondContact O-N 2.97Å; R49-M52 PolarHBondContact O-N 3.05Å; R49-F53 WeakPolarHBondContact O-CB 3.44Å; R49-F53 PolarHBondContact O-N 3.34Å; R49-D79 HydrophobicContact CB-CB 4.33Å; R49-D79 VanDerWaalsContact CD-O 3.28Å; R49-D79 WeakPolarHBondContact CD-O 3.37Å; R49-D79 PolarHBondContact NH1-O 2.95Å; R49-E84 IonicContact CZ-OE1 3.63Å; R49-E84 IonicContact CZ-OE2 3.65Å; R49-E84 IonicContact NH1-OE1 2.71Å; R49-E84 PolarHBondContact NH1-OE1 3.09Å; R49-E84 IonicContact NH1-OE2 3.33Å; R49-E84 PolarHBondContact NH1-OE2 3.28Å; R49-E84 IonicContact NH2-OE1 3.68Å; R49-E84 PolarHBondContact NH2-OE1 3.06Å; R49-E84 IonicContact NH2-OE2 3.08Å
50L96.1Very high94.5Very high9 Ų955.1 Ų55.15%0.04729%0.289CS..Hα-helixtrans-62.7-42.4174.5175.664.3000111.7V22 K27 F30 Y46 N47 H48 F53 A54V22-L50 HydrophobicContact CG1-CD1 3.95Å; V22-L50 HydrophobicContact CG1-CD2 4.27Å; V22-L50 HydrophobicContact CG1-CG 4.06Å; V22-L50 HydrophobicContact CG2-CG 4.41Å; K27-L50 HydrophobicContact CG-CD1 4.2Å; K27-L50 HydrophobicContact CG-CD2 3.93Å; F30-L50 HydrophobicContact CB-CD1 3.64Å; F30-L50 HydrophobicContact CD1-CB 3.88Å; F30-L50 HydrophobicContact CD1-CD1 3.52Å; F30-L50 HydrophobicContact CD1-CG 4.26Å; F30-L50 HydrophobicContact CE1-CB 3.82Å; F30-L50 HydrophobicContact CE1-CD1 4.35Å; F30-L50 HydrophobicContact CG-CD1 3.71Å; Y46-L50 HydrophobicContact CE1-CB 4.41Å; Y46-L50 HydrophobicContact CE1-CD2 4.03Å; Y46-L50 VanDerWaalsContact O-CB 3.25Å; Y46-L50 WeakPolarHBondContact O-CB 3.34Å; Y46-L50 PolarHBondContact O-N 3.41Å; N47-L50 PolarHBondContact O-N 3.3Å; H48-L50 VanDerWaalsContact C-N 3.34Å; H48-L50 PolarHBondContact O-N 2.94Å; L50-F53 PolarHBondContact O-N 2.93Å; L50-A54 WeakPolarHBondContact O-CB 3.31Å; L50-A54 PolarHBondContact O-N 2.98Å
51Q94.6Very high94.6Very high40 Ų4053 Ų5319%0.18727%0.27CS..Hα-helixtrans-61.2-46.5176.2-70.2-70.5-9.600111L20 N47 H48 A54 N55L20-Q51 VanDerWaalsContact CB-OE1 3.26Å; L20-Q51 PolarHBondContact O-NE2 3.05Å; L20-Q51 PolarHBondContact O-OE1 3Å; N47-Q51 VanDerWaalsContact O-CG 3.25Å; N47-Q51 WeakPolarHBondContact O-CG 3.48Å; N47-Q51 PolarHBondContact O-N 3.12Å; H48-Q51 WeakPolarHBondContact O-CB 3.3Å; H48-Q51 PolarHBondContact O-N 2.98Å; Q51-A54 PolarHBondContact O-N 2.93Å; Q51-N55 WeakPolarHBondContact O-CB 3.49Å; Q51-N55 PolarHBondContact O-N 3.22Å
52M95.5Very high94.7Very high29 Ų2952.8 Ų52.814%0.14328%0.278CS..Hα-helixtrans-61.2-46.7176.5-68.7-51.6-46.500112.1H48 R49 N55 N56 D79 S81H48-M52 WeakPolarHBondContact O-CG 3.5Å; H48-M52 PolarHBondContact O-N 2.65Å; R49-M52 PolarHBondContact O-N 3.05Å; M52-N55 PolarHBondContact O-N 2.77Å; M52-N56 WeakPolarHBondContact O-CB 3.34Å; M52-N56 PolarHBondContact O-N 2.85Å; M52-N56 PolarHBondContact O-ND2 2.79Å; M52-D79 WeakPolarHBondContact CB-O 3.39Å; M52-S81 VanDerWaalsContact CE-CB 3.42Å
53F97.2Very high94.9Very high0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-60.4-47177-179.5-90000112.6H29 F30 W33 R49 L50 N55 N56 W57 L74 S78 D79H29-F53 HydrophobicContact CB-CE1 4.15Å; H29-F53 HydrophobicContact CB-CZ 4.27Å; F30-F53 HydrophobicContact CB-CD1 3.65Å; F30-F53 HydrophobicContact CB-CE1 3.78Å; F30-F53 HydrophobicContact CB-CG 4.19Å; F30-F53 HydrophobicContact CB-CZ 4.39Å; F30-F53 HydrophobicContact CD2-CB 3.51Å; F30-F53 AromaticContact CD2-CD1 3.77Å; F30-F53 HydrophobicContact CD2-CD1 3.77Å; F30-F53 AromaticContact CD2-CD2 3.65Å; F30-F53 HydrophobicContact CD2-CD2 3.65Å; F30-F53 HydrophobicContact CD2-CE1 4.34Å; F30-F53 HydrophobicContact CD2-CE2 4.23Å; F30-F53 AromaticContact CD2-CG 3.36Å; F30-F53 HydrophobicContact CD2-CG 3.36Å; F30-F53 HydrophobicContact CE2-CB 3.83Å; F30-F53 HydrophobicContact CE2-CD2 4.28Å; F30-F53 HydrophobicContact CE2-CG 4.1Å; F30-F53 HydrophobicContact CG-CB 4.31Å; F30-F53 HydrophobicContact CG-CD1 4.08Å; F30-F53 HydrophobicContact CG-CG 4.13Å; W33-F53 HydrophobicContact CB-CE2 3.69Å; W33-F53 HydrophobicContact CB-CZ 3.96Å; W33-F53 AromaticContact CD1-CE2 3.77Å; W33-F53 HydrophobicContact CD2-CD2 4.21Å; W33-F53 AromaticContact CD2-CE2 3.94Å; W33-F53 HydrophobicContact CD2-CE2 3.94Å; W33-F53 HydrophobicContact CG-CD2 4.23Å; W33-F53 AromaticContact CG-CE2 3.49Å; W33-F53 HydrophobicContact CG-CE2 3.49Å; W33-F53 VanDerWaalsContact CG-CE2 3.49Å; W33-F53 HydrophobicContact CG-CZ 4.25Å; R49-F53 WeakPolarHBondContact O-CB 3.44Å; R49-F53 PolarHBondContact O-N 3.34Å; L50-F53 PolarHBondContact O-N 2.93Å; F53-N55 VanDerWaalsContact C-N 3.33Å; F53-N55 PolarHBondContact O-N 3.33Å; F53-N56 PolarHBondContact O-N 3.21Å; F53-W57 AromaticContact CE1-CE3 3.72Å; F53-W57 HydrophobicContact CE1-CE3 3.72Å; F53-W57 HydrophobicContact CE1-CZ3 4.39Å; F53-W57 AromaticContact CZ-CE3 3.68Å; F53-W57 HydrophobicContact CZ-CE3 3.68Å; F53-W57 HydrophobicContact CZ-CZ3 4.1Å; F53-W57 VanDerWaalsContact O-CB 3.26Å; F53-W57 WeakPolarHBondContact O-CB 3.43Å; F53-W57 PolarHBondContact O-N 2.82Å; F53-L74 HydrophobicContact CD2-CD2 4.34Å; F53-L74 HydrophobicContact CE2-CD1 3.63Å; F53-L74 HydrophobicContact CE2-CD2 3.73Å; F53-L74 HydrophobicContact CE2-CG 4.29Å; F53-L74 HydrophobicContact CZ-CD1 3.49Å; F53-L74 VanDerWaalsContact CZ-CD1 3.49Å; F53-L74 HydrophobicContact CZ-CD2 4.07Å; F53-L74 HydrophobicContact CZ-CG 4.44Å; F53-S78 VanDerWaalsContact CA-O 3.29Å; F53-S78 WeakPolarHBondContact CA-O 3.22Å; F53-D79 HydrophobicContact CB-CB 4.45Å
54A97.1Very high95.4Very high0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-63.2-41179.200000111.6V22 E26 L50 Q51 W57 R58V22-A54 HydrophobicContact CB-CB 4.5Å; V22-A54 HydrophobicContact CG1-CB 3.88Å; V22-A54 HydrophobicContact CG2-CB 3.88Å; E26-A54 HydrophobicContact CB-CB 4.4Å; L50-A54 WeakPolarHBondContact O-CB 3.31Å; L50-A54 PolarHBondContact O-N 2.98Å; Q51-A54 PolarHBondContact O-N 2.93Å; A54-W57 PolarHBondContact O-N 2.84Å; A54-R58 VanDerWaalsContact O-CG 3.31Å; A54-R58 WeakPolarHBondContact O-CG 3.27Å; A54-R58 PolarHBondContact O-N 2.92Å
55N96.1Very high96Very high47 Ų4749.3 Ų49.325%0.25124%0.235SC..Hα-helixtrans-60.8-49.7174.9-175.447.4000111.6L20 Q51 M52 F53 W57 R58 K59L20-N55 HydrophobicContact CD1-CB 3.86Å; Q51-N55 WeakPolarHBondContact O-CB 3.49Å; Q51-N55 PolarHBondContact O-N 3.22Å; M52-N55 PolarHBondContact O-N 2.77Å; F53-N55 VanDerWaalsContact C-N 3.33Å; F53-N55 PolarHBondContact O-N 3.33Å; N55-W57 PolarHBondContact O-N 2.89Å; N55-R58 PolarHBondContact O-N 3.11Å; N55-K59 WeakPolarHBondContact O-CG 3.24Å; N55-K59 PolarHBondContact O-N 3.05Å
56N96.7Very high96Very high4 Ų453.7 Ų53.72%0.02125%0.249CC..Hα-helixtrans-64-41.1178.9-71.8-22.8000111.8M52 F53 R58 K59 I60 S78 M80 M221M52-N56 WeakPolarHBondContact O-CB 3.34Å; M52-N56 PolarHBondContact O-N 2.85Å; M52-N56 PolarHBondContact O-ND2 2.79Å; F53-N56 PolarHBondContact O-N 3.21Å; N56-R58 PolarHBondContact O-N 2.89Å; N56-K59 PolarHBondContact O-N 3.29Å; N56-I60 WeakPolarHBondContact O-CD1 3.5Å; N56-I60 VanDerWaalsContact O-CG1 3.23Å; N56-I60 WeakPolarHBondContact O-CG1 3.37Å; N56-I60 PolarHBondContact O-N 2.85Å; N56-S78 PolarHBondContact ND2-O 3.32Å; N56-M80 PolarHBondContact ND2-O 3.24Å; N56-M221 HydrophobicContact CB-CE 4.07Å
57W96.4Very high96Very high42 Ų4259.4 Ų59.416%0.15928%0.282CS..Hα-helixtrans-55.8-49.4173.4-178.3-75.3000111.3H29 F53 A54 N55 K59 I60 Q61 L74H29-W57 HydrophobicContact CB-CE3 4.07Å; H29-W57 HydrophobicContact CB-CH2 3.83Å; H29-W57 HydrophobicContact CB-CZ3 3.47Å; H29-W57 VanDerWaalsContact CB-CZ3 3.47Å; H29-W57 AromaticContact CD2-CH2 3.49Å; H29-W57 VanDerWaalsContact CD2-CH2 3.49Å; H29-W57 WeakPolarHBondContact CD2-CH2 3.29Å; H29-W57 AromaticContact CD2-CZ2 3.77Å; H29-W57 AromaticContact CE1-CH2 3.61Å; H29-W57 AromaticContact CG-CH2 3.28Å; H29-W57 AromaticContact CG-CZ3 3.49Å; H29-W57 VanDerWaalsContact CG-CZ3 3.49Å; H29-W57 AromaticContact ND1-CH2 3.37Å; H29-W57 WeakPolarHBondContact ND1-CH2 3.25Å; H29-W57 AromaticContact ND1-CZ3 3.74Å; H29-W57 AromaticContact NE2-CH2 3.7Å; H29-W57 AromaticContact NE2-CZ2 3.98Å; F53-W57 AromaticContact CE1-CE3 3.72Å; F53-W57 HydrophobicContact CE1-CE3 3.72Å; F53-W57 HydrophobicContact CE1-CZ3 4.39Å; F53-W57 AromaticContact CZ-CE3 3.68Å; F53-W57 HydrophobicContact CZ-CE3 3.68Å; F53-W57 HydrophobicContact CZ-CZ3 4.1Å; F53-W57 VanDerWaalsContact O-CB 3.26Å; F53-W57 WeakPolarHBondContact O-CB 3.43Å; F53-W57 PolarHBondContact O-N 2.82Å; A54-W57 PolarHBondContact O-N 2.84Å; N55-W57 PolarHBondContact O-N 2.89Å; W57-K59 PolarHBondContact O-N 2.87Å; W57-I60 PolarHBondContact O-N 2.84Å; W57-Q61 VanDerWaalsContact O-CG 3.3Å; W57-Q61 WeakPolarHBondContact O-CG 3.43Å; W57-Q61 PolarHBondContact O-N 3.27Å; W57-L74 HydrophobicContact CE3-CD1 3.46Å; W57-L74 VanDerWaalsContact CE3-CD1 3.46Å; W57-L74 HydrophobicContact CE3-CD2 3.97Å; W57-L74 HydrophobicContact CE3-CG 3.99Å; W57-L74 HydrophobicContact CH2-CD1 4.44Å; W57-L74 HydrophobicContact CZ3-CD1 3.27Å; W57-L74 HydrophobicContact CZ3-CG 4.12Å
58R97Very high96.1Very high85 Ų8558 Ų5832%0.32127%0.273SS..Hα-helixtrans-62.1-41.5178.3-71.1173.6-172.3179.56.2112T21 E26 A54 N55 N56 Q61 A62T21-R58 PolarHBondContact O-NH2 2.7Å; E26-R58 VanDerWaalsContact CD-NH2 3.35Å; E26-R58 IonicContact OE1-CZ 3.02Å; E26-R58 VanDerWaalsContact OE1-CZ 3.3Å; E26-R58 IonicContact OE1-NE 3.5Å; E26-R58 PolarHBondContact OE1-NE 3.33Å; E26-R58 IonicContact OE1-NH2 2.71Å; E26-R58 PolarHBondContact OE1-NH2 3.44Å; E26-R58 IonicContact OE2-CZ 2.63Å; E26-R58 IonicContact OE2-NE 2.75Å; E26-R58 IonicContact OE2-NH2 3.25Å; E26-R58 PolarHBondContact OE2-NH2 3.36Å; A54-R58 VanDerWaalsContact O-CG 3.31Å; A54-R58 WeakPolarHBondContact O-CG 3.27Å; A54-R58 PolarHBondContact O-N 2.92Å; N55-R58 PolarHBondContact O-N 3.11Å; N56-R58 PolarHBondContact O-N 2.89Å; R58-Q61 PolarHBondContact O-N 3.06Å; R58-A62 WeakPolarHBondContact O-CB 3.31Å; R58-A62 PolarHBondContact O-N 2.94Å
59K96.2Very high96.3Very high71 Ų7156.4 Ų56.431%0.30927%0.27SS..Hα-helixtrans-59.6-47.4175.1-71.6-179.9-178.8-171.80111.6N55 N56 W57 Q61 A62 H63 E217N55-K59 WeakPolarHBondContact O-CG 3.24Å; N55-K59 PolarHBondContact O-N 3.05Å; N56-K59 PolarHBondContact O-N 3.29Å; W57-K59 PolarHBondContact O-N 2.87Å; K59-Q61 PolarHBondContact O-N 2.7Å; K59-A62 PolarHBondContact O-N 2.92Å; K59-H63 WeakPolarHBondContact O-CB 3.13Å; K59-H63 PolarHBondContact O-N 3.29Å; K59-E217 IonicContact NZ-OE1 2.78Å; K59-E217 PolarHBondContact NZ-OE1 2.98Å; K59-E217 IonicContact NZ-OE2 3.89Å; K59-E217 PolarHBondContact NZ-OE2 2.94Å
60I97.3Very high96.4Very high9 Ų955.6 Ų55.65%0.04627%0.267CS..Hα-helixtrans-58-48177.1-70.2161.9000110.5N56 W57 H63 N64 M72 L74 M221N56-I60 WeakPolarHBondContact O-CD1 3.5Å; N56-I60 VanDerWaalsContact O-CG1 3.23Å; N56-I60 WeakPolarHBondContact O-CG1 3.37Å; N56-I60 PolarHBondContact O-N 2.85Å; W57-I60 PolarHBondContact O-N 2.84Å; I60-H63 PolarHBondContact O-N 2.86Å; I60-N64 WeakPolarHBondContact CG2-ND2 3.48Å; I60-N64 WeakPolarHBondContact O-CB 3.5Å; I60-N64 VanDerWaalsContact O-CG 3.25Å; I60-N64 PolarHBondContact O-N 3.03Å; I60-N64 PolarHBondContact O-ND2 3.48Å; I60-M72 HydrophobicContact CB-CB 4.36Å; I60-M72 HydrophobicContact CG1-CB 3.98Å; I60-M72 HydrophobicContact CG1-CE 4.07Å; I60-M72 HydrophobicContact CG2-CB 4.1Å; I60-L74 HydrophobicContact CD1-CD2 3.69Å; I60-L74 HydrophobicContact CD1-CG 4.34Å; I60-M221 HydrophobicContact CD1-CB 4.38Å; I60-M221 HydrophobicContact CD1-CG 4.32Å; I60-M221 HydrophobicContact CD1-SD 4.28Å; I60-M221 HydrophobicContact CG1-CB 4.21Å; I60-M221 HydrophobicContact CG1-CG 4.36Å
61Q96.6Very high96.5Very high82 Ų8259 Ų5938%0.38328%0.281SS..Hα-helixtrans-65.2-43.8-179.8-63-6644.900112W57 R58 K59 H63 N64 Q65W57-Q61 VanDerWaalsContact O-CG 3.3Å; W57-Q61 WeakPolarHBondContact O-CG 3.43Å; W57-Q61 PolarHBondContact O-N 3.27Å; R58-Q61 PolarHBondContact O-N 3.06Å; K59-Q61 PolarHBondContact O-N 2.7Å; Q61-H63 VanDerWaalsContact C-N 3.33Å; Q61-H63 PolarHBondContact O-N 3.05Å; Q61-N64 PolarHBondContact O-N 3.32Å; Q61-Q65 VanDerWaalsContact O-CG 3.23Å; Q61-Q65 WeakPolarHBondContact O-CG 3.46Å; Q61-Q65 PolarHBondContact O-N 2.99Å; Q61-Q65 VanDerWaalsContact O-N 3.07Å
62A97.1Very high96.6Very high42 Ų4257.7 Ų57.735%0.34728%0.275SS..Hα-helixtrans-62.9-38.7177.500000112.4R58 K59R58-A62 WeakPolarHBondContact O-CB 3.31Å; R58-A62 PolarHBondContact O-N 2.94Å; K59-A62 PolarHBondContact O-N 2.92Å
63H96.9Very high96.7Very high23 Ų2357.5 Ų57.511%0.10628%0.279CS..Hα-helixtrans-64.5-51.2172.9179.887.6000111.1K59 I60 Q61 Q65 R66 H68 F70 M72K59-H63 WeakPolarHBondContact O-CB 3.13Å; K59-H63 PolarHBondContact O-N 3.29Å; I60-H63 PolarHBondContact O-N 2.86Å; Q61-H63 VanDerWaalsContact C-N 3.33Å; Q61-H63 PolarHBondContact O-N 3.05Å; H63-Q65 PolarHBondContact O-N 2.99Å; H63-R66 PolarHBondContact O-N 3.14Å; H63-H68 AromaticContact CE1-CD2 3.44Å; H63-H68 PolarHBondContact CE1-CD2 2.83Å; H63-H68 VanDerWaalsContact CE1-CD2 3.44Å; H63-H68 AromaticContact CE1-CG 3.48Å; H63-H68 VanDerWaalsContact CE1-CG 3.48Å; H63-H68 AromaticContact CG-CD2 3.95Å; H63-H68 AromaticContact ND1-CD2 3.45Å; H63-H68 PolarHBondContact ND1-CD2 3.2Å; H63-H68 AromaticContact ND1-CG 3.95Å; H63-H68 AromaticContact ND1-NE2 3.8Å; H63-H68 AromaticContact NE2-CD2 3.91Å; H63-H68 AromaticContact NE2-CG 3.95Å; H63-H68 PolarHBondContact O-CD2 2.93Å; H63-F70 AromaticContact CE1-CE1 3.48Å; H63-F70 VanDerWaalsContact CE1-CE1 3.48Å; H63-F70 WeakPolarHBondContact CE1-CE1 3.36Å; H63-F70 AromaticContact CE1-CE2 3.66Å; H63-F70 AromaticContact CE1-CZ 3.24Å; H63-F70 WeakPolarHBondContact CE1-CZ 3.06Å; H63-F70 AromaticContact NE2-CD2 3.8Å; H63-F70 AromaticContact NE2-CE1 3.91Å; H63-F70 AromaticContact NE2-CE2 3.57Å; H63-F70 AromaticContact NE2-CZ 3.63Å; H63-F70 PolarHBondContact NE2-O 2.96Å; H63-M72 HydrophobicContact CB-SD 3.46Å; H63-M72 WeakPolarHBondContact CB-SD 3.37Å; H63-M72 VanDerWaalsContact CD2-SD 3.58Å
64N97.9Very high96.7Very high42 Ų4260.1 Ų60.123%0.22529%0.292CS..Hα-helixtrans-66.7-23.5-173.8-73.6-18.5000113.9I60 Q61 R66 K71 M72I60-N64 WeakPolarHBondContact CG2-ND2 3.48Å; I60-N64 WeakPolarHBondContact O-CB 3.5Å; I60-N64 VanDerWaalsContact O-CG 3.25Å; I60-N64 PolarHBondContact O-N 3.03Å; I60-N64 PolarHBondContact O-ND2 3.48Å; Q61-N64 PolarHBondContact O-N 3.32Å; N64-R66 VanDerWaalsContact C-N 3.31Å; N64-K71 HydrophobicContact CB-CD 4.35Å; N64-K71 PolarHBondContact O-NZ 3.2Å; N64-K71 WeakPolarHBondContact OD1-CA 3.46Å; N64-K71 WeakPolarHBondContact OD1-CD 3.2Å; N64-M72 PolarHBondContact ND2-O 3.28Å; N64-M72 PolarHBondContact OD1-N 3.37Å
65Q96.8Very high96.6Very high163 Ų16360.5 Ų60.576%0.76230%0.295SS*.THydrogen-bonded Turntrans-72.7-20.1173.1-75.3171.35.600113.8Q61 H63Q61-Q65 VanDerWaalsContact O-CG 3.23Å; Q61-Q65 WeakPolarHBondContact O-CG 3.46Å; Q61-Q65 PolarHBondContact O-N 2.99Å; Q61-Q65 VanDerWaalsContact O-N 3.07Å; H63-Q65 PolarHBondContact O-N 2.99Å
66R94.9Very high96.5Very high166 Ų16660.4 Ų60.463%0.62629%0.293SS*.SBendtrans-91163.2178.3-66.6174.3-177179.61111.1H63 N64 H68H63-R66 PolarHBondContact O-N 3.14Å; N64-R66 VanDerWaalsContact C-N 3.31Å; R66-H68 VanDerWaalsContact CB-CD2 3.48Å; R66-H68 WeakPolarHBondContact CB-CD2 3.12Å; R66-H68 WeakPolarHBondContact CB-NE2 3.38Å; R66-H68 PolarHBondContact O-N 3.49Å; R66-H68 VanDerWaalsContact O-N 3.12Å
67N93.6Very high96.4Very high168 Ų16860.5 Ų60.590%0.89829%0.293SS*.  trans-84.681.1176.4-165.418000110.6
68H95.4Very high96.4Very high72 Ų7258.5 Ų58.533%0.33329%0.285SS..  trans-106.4156.1173-66.2-70.2000111H63 R66 F70H63-H68 AromaticContact CE1-CD2 3.44Å; H63-H68 PolarHBondContact CE1-CD2 2.83Å; H63-H68 VanDerWaalsContact CE1-CD2 3.44Å; H63-H68 AromaticContact CE1-CG 3.48Å; H63-H68 VanDerWaalsContact CE1-CG 3.48Å; H63-H68 AromaticContact CG-CD2 3.95Å; H63-H68 AromaticContact ND1-CD2 3.45Å; H63-H68 PolarHBondContact ND1-CD2 3.2Å; H63-H68 AromaticContact ND1-CG 3.95Å; H63-H68 AromaticContact ND1-NE2 3.8Å; H63-H68 AromaticContact NE2-CD2 3.91Å; H63-H68 AromaticContact NE2-CG 3.95Å; H63-H68 PolarHBondContact O-CD2 2.93Å; R66-H68 VanDerWaalsContact CB-CD2 3.48Å; R66-H68 WeakPolarHBondContact CB-CD2 3.12Å; R66-H68 WeakPolarHBondContact CB-NE2 3.38Å; R66-H68 PolarHBondContact O-N 3.49Å; R66-H68 VanDerWaalsContact O-N 3.12Å; H68-F70 PolarHBondContact O-N 3.5Å
69T96.6Very high96.3Very high68 Ų6854.6 Ų54.642%0.41727%0.27SS..SBendtrans-74.3-12.2178.153.70000113.6G225 V226 L254T69-G225 CarbonylContact O-C 3.55Å; T69-G225 WeakPolarHBondContact O-CA 3.3Å; T69-V226 CarbonylContact C-O 3.5Å; T69-V226 VanDerWaalsContact CB-O 3.32Å; T69-V226 WeakPolarHBondContact CB-O 3.27Å; T69-V226 PolarHBondContact O-N 2.8Å; T69-V226 PolarHBondContact OG1-O 3.23Å; T69-L254 HydrophobicContact CG2-CD2 3.66Å
70F97.8Very high96.2Very high5 Ų551.9 Ų51.92%0.02226%0.259CS..EExtended strand (participates in β ladder)trans-133.3158.2175.776.8-80.1000111.4H63 H68 M72 Y222 S224 Y227H63-F70 AromaticContact CE1-CE1 3.48Å; H63-F70 VanDerWaalsContact CE1-CE1 3.48Å; H63-F70 WeakPolarHBondContact CE1-CE1 3.36Å; H63-F70 AromaticContact CE1-CE2 3.66Å; H63-F70 AromaticContact CE1-CZ 3.24Å; H63-F70 WeakPolarHBondContact CE1-CZ 3.06Å; H63-F70 AromaticContact NE2-CD2 3.8Å; H63-F70 AromaticContact NE2-CE1 3.91Å; H63-F70 AromaticContact NE2-CE2 3.57Å; H63-F70 AromaticContact NE2-CZ 3.63Å; H63-F70 PolarHBondContact NE2-O 2.96Å; H68-F70 PolarHBondContact O-N 3.5Å; F70-M72 HydrophobicContact CD2-CG 4.35Å; F70-M72 HydrophobicContact CE2-CG 3.76Å; F70-M72 HydrophobicContact CE2-SD 4.42Å; F70-Y222 HydrophobicContact CB-CD2 4.35Å; F70-Y222 HydrophobicContact CB-CE2 4.18Å; F70-Y222 AromaticContact CD2-CD2 4Å; F70-Y222 HydrophobicContact CD2-CD2 4Å; F70-Y222 HydrophobicContact CG-CD2 4.49Å; F70-S224 CarbonylContact C-O 3.14Å; F70-S224 WeakPolarHBondContact CA-O 3.23Å; F70-S224 VanDerWaalsContact CB-O 3.31Å; F70-S224 WeakPolarHBondContact CB-O 3.44Å; F70-Y227 HydrophobicContact CD1-CD2 4.13Å; F70-Y227 HydrophobicContact CD2-CD2 4.12Å; F70-Y227 AromaticContact CE1-CD2 3.86Å; F70-Y227 HydrophobicContact CE1-CD2 3.86Å; F70-Y227 HydrophobicContact CE1-CE2 4.23Å; F70-Y227 AromaticContact CE2-CD2 3.85Å; F70-Y227 HydrophobicContact CE2-CD2 3.85Å; F70-Y227 HydrophobicContact CE2-CE2 4.24Å; F70-Y227 HydrophobicContact CG-CD2 4.24Å; F70-Y227 AromaticContact CZ-CD2 3.71Å; F70-Y227 HydrophobicContact CZ-CD2 3.71Å; F70-Y227 AromaticContact CZ-CE2 3.85Å; F70-Y227 HydrophobicContact CZ-CE2 3.85Å
71K98.2Very high95.9Very high80 Ų8052.9 Ų52.935%0.34827%0.267SS..EExtended strand (participates in β ladder)trans-112152.5174.4-62.8-60.7-178.1-174.60110.6N64 K223 S224N64-K71 HydrophobicContact CB-CD 4.35Å; N64-K71 PolarHBondContact O-NZ 3.2Å; N64-K71 WeakPolarHBondContact OD1-CA 3.46Å; N64-K71 WeakPolarHBondContact OD1-CD 3.2Å; K71-K223 PolarHBondContact O-N 2.88Å; K71-S224 PolarHBondContact N-O 2.97Å; K71-S224 PolarHBondContact O-N 3.28Å
72M98.3Very high95.5Very high13 Ų1351.7 Ų51.76%0.06426%0.261CS..EExtended strand (participates in β ladder)trans-107.8156.4174.3-64.8163.373.300110.5I60 H63 N64 F70 M221I60-M72 HydrophobicContact CB-CB 4.36Å; I60-M72 HydrophobicContact CG1-CB 3.98Å; I60-M72 HydrophobicContact CG1-CE 4.07Å; I60-M72 HydrophobicContact CG2-CB 4.1Å; H63-M72 HydrophobicContact CB-SD 3.46Å; H63-M72 WeakPolarHBondContact CB-SD 3.37Å; H63-M72 VanDerWaalsContact CD2-SD 3.58Å; N64-M72 PolarHBondContact ND2-O 3.28Å; N64-M72 PolarHBondContact OD1-N 3.37Å; F70-M72 HydrophobicContact CD2-CG 4.35Å; F70-M72 HydrophobicContact CE2-CG 3.76Å; F70-M72 HydrophobicContact CE2-SD 4.42Å; M72-M221 CarbonylContact C-O 3.47Å; M72-M221 WeakPolarHBondContact CA-O 3.35Å; M72-M221 HydrophobicContact CB-CB 4.08Å; M72-M221 VanDerWaalsContact CB-O 3.31Å; M72-M221 WeakPolarHBondContact CB-O 3.38Å; M72-M221 HydrophobicContact CE-CB 3.47Å; M72-M221 VanDerWaalsContact CE-CB 3.47Å; M72-M221 HydrophobicContact CE-CG 3.9Å; M72-M221 HydrophobicContact CG-CB 4.21Å
73A97.5Very high95.1Very high26 Ų2653.2 Ų53.222%0.21527%0.273CS..  trans-149166171.900000111.1M221 K223A73-M221 PolarHBondContact N-O 2.78Å; A73-K223 HydrophobicContact CB-CB 3.6Å; A73-K223 HydrophobicContact CB-CD 3.9Å; A73-K223 HydrophobicContact CB-CG 3.66Å
74L96.9Very high94.6Very high54 Ų5453.6 Ų53.628%0.28328%0.275SS..  trans-65.2147.3167.5-61.5177.7000111F53 W57 I60 S78F53-L74 HydrophobicContact CD2-CD2 4.34Å; F53-L74 HydrophobicContact CE2-CD1 3.63Å; F53-L74 HydrophobicContact CE2-CD2 3.73Å; F53-L74 HydrophobicContact CE2-CG 4.29Å; F53-L74 HydrophobicContact CZ-CD1 3.49Å; F53-L74 VanDerWaalsContact CZ-CD1 3.49Å; F53-L74 HydrophobicContact CZ-CD2 4.07Å; F53-L74 HydrophobicContact CZ-CG 4.44Å; W57-L74 HydrophobicContact CE3-CD1 3.46Å; W57-L74 VanDerWaalsContact CE3-CD1 3.46Å; W57-L74 HydrophobicContact CE3-CD2 3.97Å; W57-L74 HydrophobicContact CE3-CG 3.99Å; W57-L74 HydrophobicContact CH2-CD1 4.44Å; W57-L74 HydrophobicContact CZ3-CD1 3.27Å; W57-L74 HydrophobicContact CZ3-CG 4.12Å; I60-L74 HydrophobicContact CD1-CD2 3.69Å; I60-L74 HydrophobicContact CD1-CG 4.34Å; L74-S78 WeakPolarHBondContact CA-OG 3.44Å; L74-S78 WeakPolarHBondContact CD2-OG 3.46Å
75N95.5Very high94Very high9 Ų951.7 Ų51.75%0.04827%0.265CS..  trans-154.1-167.2176.662.833.1000109.5W33 F77 S78 L220W33-N75 WeakPolarHBondContact CZ2-O 3.15Å; W33-N75 PolarHBondContact NE1-O 3.27Å; N75-F77 PolarHBondContact O-N 3.04Å; N75-F77 VanDerWaalsContact O-N 3.08Å; N75-F77 WeakPolarHBondContact OD1-CA 3.35Å; N75-F77 VanDerWaalsContact OD1-CB 3.29Å; N75-F77 WeakPolarHBondContact OD1-CB 3.49Å; N75-F77 PolarHBondContact OD1-N 2.82Å; N75-S78 PolarHBondContact N-OG 3.01Å; N75-S78 WeakPolarHBondContact O-CB 3.31Å; N75-S78 PolarHBondContact O-N 2.76Å; N75-S78 PolarHBondContact O-OG 3.36Å; N75-S78 VanDerWaalsContact O-OG 3.06Å; N75-L220 PolarHBondContact ND2-O 2.62Å
76Q92.4Very high93.3Very high45 Ų4547.9 Ų47.921%0.2125%0.246CC..THydrogen-bonded Turntrans-63.6-13.2-17870.6-88.228.900114.9W263Q76-W263 PolarHBondContact NE2-O 2.75Å
77F94.4Very high92.3Very high6 Ų643.5 Ų43.53%0.02623%0.232CC..THydrogen-bonded Turntrans-97.8-1.8-179-55.4-59000113.1N75 D79 M80 I85 F89 W263 W267N75-F77 PolarHBondContact O-N 3.04Å; N75-F77 VanDerWaalsContact O-N 3.08Å; N75-F77 WeakPolarHBondContact OD1-CA 3.35Å; N75-F77 VanDerWaalsContact OD1-CB 3.29Å; N75-F77 WeakPolarHBondContact OD1-CB 3.49Å; N75-F77 PolarHBondContact OD1-N 2.82Å; F77-D79 PolarHBondContact O-N 3.16Å; F77-D79 VanDerWaalsContact O-N 3.13Å; F77-M80 HydrophobicContact CD1-SD 4.36Å; F77-M80 PolarHBondContact O-N 3.26Å; F77-M80 VanDerWaalsContact O-N 3.09Å; F77-I85 HydrophobicContact CB-CD1 3.71Å; F77-I85 HydrophobicContact CD1-CD1 4.39Å; F77-I85 HydrophobicContact CD1-CG1 4.43Å; F77-I85 HydrophobicContact CG-CD1 4.27Å; F77-F89 HydrophobicContact CD1-CE2 4.22Å; F77-F89 HydrophobicContact CE1-CD2 4.2Å; F77-F89 HydrophobicContact CE1-CE1 4.44Å; F77-F89 AromaticContact CE1-CE2 3.84Å; F77-F89 HydrophobicContact CE1-CE2 3.84Å; F77-F89 AromaticContact CE1-CZ 3.99Å; F77-F89 HydrophobicContact CE1-CZ 3.99Å; F77-W263 HydrophobicContact CE2-CB 4.08Å; F77-W263 AromaticContact CE2-CD2 3.85Å; F77-W263 HydrophobicContact CE2-CD2 3.85Å; F77-W263 AromaticContact CE2-CE3 3.71Å; F77-W263 HydrophobicContact CE2-CE3 3.71Å; F77-W263 HydrophobicContact CE2-CG 4.03Å; F77-W263 HydrophobicContact CE2-CZ3 4.47Å; F77-W263 HydrophobicContact CZ-CB 4.04Å; F77-W263 AromaticContact CZ-CD2 3.94Å; F77-W263 HydrophobicContact CZ-CD2 3.94Å; F77-W263 HydrophobicContact CZ-CE3 4.27Å; F77-W263 AromaticContact CZ-CG 3.82Å; F77-W263 HydrophobicContact CZ-CG 3.82Å; F77-W267 AromaticContact CE2-CD1 3.87Å
78S96.4Very high91.4Very high0 Ų038.2 Ų38.20%020%0.201CC..THydrogen-bonded Turntrans-66.1-17.6-168.3-64.60000115.7F53 N56 L74 N75F53-S78 VanDerWaalsContact CA-O 3.29Å; F53-S78 WeakPolarHBondContact CA-O 3.22Å; N56-S78 PolarHBondContact ND2-O 3.32Å; L74-S78 WeakPolarHBondContact CA-OG 3.44Å; L74-S78 WeakPolarHBondContact CD2-OG 3.46Å; N75-S78 PolarHBondContact N-OG 3.01Å; N75-S78 WeakPolarHBondContact O-CB 3.31Å; N75-S78 PolarHBondContact O-N 2.76Å; N75-S78 PolarHBondContact O-OG 3.36Å; N75-S78 VanDerWaalsContact O-OG 3.06Å
79D95.8Very high90.4Very high2 Ų237.2 Ų37.21%0.01120%0.196CC..THydrogen-bonded Turntrans-103.713.2176.972.9-28.2000113.7F30 W33 Y41 R49 M52 F53 F77F30-D79 HydrophobicContact CE2-CB 4.06Å; W33-D79 HydrophobicContact CH2-CB 3.76Å; W33-D79 VanDerWaalsContact CH2-OD1 3.26Å; W33-D79 WeakPolarHBondContact CH2-OD1 3.34Å; W33-D79 WeakPolarHBondContact CH2-OD2 3.48Å; W33-D79 HydrophobicContact CZ2-CB 4.44Å; W33-D79 HydrophobicContact CZ3-CB 3.85Å; W33-D79 WeakPolarHBondContact CZ3-OD2 3.49Å; Y41-D79 VanDerWaalsContact CZ-OD2 3.22Å; Y41-D79 PolarHBondContact OH-OD2 3.17Å; R49-D79 HydrophobicContact CB-CB 4.33Å; R49-D79 VanDerWaalsContact CD-O 3.28Å; R49-D79 WeakPolarHBondContact CD-O 3.37Å; R49-D79 PolarHBondContact NH1-O 2.95Å; M52-D79 WeakPolarHBondContact CB-O 3.39Å; F53-D79 HydrophobicContact CB-CB 4.45Å; F77-D79 PolarHBondContact O-N 3.16Å; F77-D79 VanDerWaalsContact O-N 3.13Å
80M93.4Very high89.1Confident14 Ų1434.5 Ų34.57%0.06918%0.179CC..SBendtrans-113.1153.8179.8-58.61777100110.9N56 F77 E84 I85 K88 F89N56-M80 PolarHBondContact ND2-O 3.24Å; F77-M80 HydrophobicContact CD1-SD 4.36Å; F77-M80 PolarHBondContact O-N 3.26Å; F77-M80 VanDerWaalsContact O-N 3.09Å; M80-E84 HydrophobicContact CE-CB 4.29Å; M80-E84 VanDerWaalsContact CE-CD 3.44Å; M80-E84 HydrophobicContact CE-CG 3.54Å; M80-E84 WeakPolarHBondContact CE-OE1 3.21Å; M80-I85 HydrophobicContact CB-CD1 3.84Å; M80-I85 HydrophobicContact CB-CG1 3.71Å; M80-I85 HydrophobicContact CE-CG1 3.92Å; M80-I85 HydrophobicContact SD-CG1 4.09Å; M80-K88 HydrophobicContact CE-CD 3.7Å; M80-F89 HydrophobicContact CE-CE2 3.86Å; M80-F89 HydrophobicContact SD-CE2 4.22Å
81S92.4Very high87.2Confident31 Ų3140.6 Ų40.622%0.21720%0.202CC..  trans-84.7157.5171.370.10000111M52 A83 E84 I85M52-S81 VanDerWaalsContact CE-CB 3.42Å; S81-A83 PolarHBondContact O-N 2.88Å; S81-E84 PolarHBondContact O-N 3.26Å; S81-E84 VanDerWaalsContact O-N 3.14Å; S81-E84 WeakPolarHBondContact OG-CB 3.21Å; S81-E84 PolarHBondContact OG-N 2.98Å; S81-I85 WeakPolarHBondContact O-CG1 3.44Å; S81-I85 PolarHBondContact O-N 2.88Å
82F88.3Confident84.7Confident57 Ų5738.5 Ų38.525%0.2520%0.197CC..Hα-helixtrans-57.1-38.4171.8-177.6-116.8000111.9E84 I85 K86 L90 E217 L220F82-E84 PolarHBondContact O-N 3.33Å; F82-I85 PolarHBondContact O-N 3.36Å; F82-K86 HydrophobicContact CE1-CD 4.3Å; F82-K86 WeakPolarHBondContact O-CB 3.48Å; F82-K86 PolarHBondContact O-N 2.92Å; F82-L90 HydrophobicContact CE2-CD1 4.09Å; F82-E217 HydrophobicContact CB-CB 4.06Å; F82-E217 HydrophobicContact CB-CG 4.01Å; F82-E217 HydrophobicContact CD2-CB 3.98Å; F82-E217 HydrophobicContact CG-CB 3.96Å; F82-E217 HydrophobicContact CG-CG 4.45Å; F82-L220 HydrophobicContact CD2-CD1 3.54Å; F82-L220 HydrophobicContact CE2-CD1 4.09Å
83A87Confident81.6Confident74 Ų7443.1 Ų43.161%0.61222%0.219SC*.Hα-helixtrans-62.4-42.8176.800000111.9S81 H87S81-A83 PolarHBondContact O-N 2.88Å; A83-H87 WeakPolarHBondContact O-CB 3.48Å; A83-H87 PolarHBondContact O-N 3.23Å
84E87.7Confident78.8Confident30 Ų3045.6 Ų45.614%0.1423%0.233CC..Hα-helixtrans-65-46.1176-171.4-175.7179.300111.2R49 M80 S81 F82 K86 H87 K88R49-E84 IonicContact CZ-OE1 3.63Å; R49-E84 IonicContact CZ-OE2 3.65Å; R49-E84 IonicContact NH1-OE1 2.71Å; R49-E84 PolarHBondContact NH1-OE1 3.09Å; R49-E84 IonicContact NH1-OE2 3.33Å; R49-E84 PolarHBondContact NH1-OE2 3.28Å; R49-E84 IonicContact NH2-OE1 3.68Å; R49-E84 PolarHBondContact NH2-OE1 3.06Å; R49-E84 IonicContact NH2-OE2 3.08Å; M80-E84 HydrophobicContact CE-CB 4.29Å; M80-E84 VanDerWaalsContact CE-CD 3.44Å; M80-E84 HydrophobicContact CE-CG 3.54Å; M80-E84 WeakPolarHBondContact CE-OE1 3.21Å; S81-E84 PolarHBondContact O-N 3.26Å; S81-E84 VanDerWaalsContact O-N 3.14Å; S81-E84 WeakPolarHBondContact OG-CB 3.21Å; S81-E84 PolarHBondContact OG-N 2.98Å; F82-E84 PolarHBondContact O-N 3.33Å; E84-K86 PolarHBondContact O-N 3.39Å; E84-H87 PolarHBondContact O-N 3.3Å; E84-K88 HydrophobicContact CG-CD 4Å; E84-K88 HydrophobicContact CG-CG 4.38Å; E84-K88 WeakPolarHBondContact O-CB 3.5Å; E84-K88 VanDerWaalsContact O-CG 3.23Å; E84-K88 WeakPolarHBondContact O-CG 3.47Å; E84-K88 PolarHBondContact O-N 3.14Å; E84-K88 IonicContact OE1-NZ 2.86Å; E84-K88 PolarHBondContact OE1-NZ 2.98Å
85I85.5Confident75.6Confident2 Ų251 Ų511%0.0126%0.256CS..Hα-helixtrans-65.7-42.1179.7-67.8163.5000110.8F77 M80 S81 F82 H87 K88 F89 L90 L220F77-I85 HydrophobicContact CB-CD1 3.71Å; F77-I85 HydrophobicContact CD1-CD1 4.39Å; F77-I85 HydrophobicContact CD1-CG1 4.43Å; F77-I85 HydrophobicContact CG-CD1 4.27Å; M80-I85 HydrophobicContact CB-CD1 3.84Å; M80-I85 HydrophobicContact CB-CG1 3.71Å; M80-I85 HydrophobicContact CE-CG1 3.92Å; M80-I85 HydrophobicContact SD-CG1 4.09Å; S81-I85 WeakPolarHBondContact O-CG1 3.44Å; S81-I85 PolarHBondContact O-N 2.88Å; F82-I85 PolarHBondContact O-N 3.36Å; I85-H87 VanDerWaalsContact C-N 3.31Å; I85-H87 PolarHBondContact O-N 2.72Å; I85-K88 PolarHBondContact O-N 2.81Å; I85-F89 HydrophobicContact CB-CD2 4.41Å; I85-F89 HydrophobicContact CG2-CB 4.45Å; I85-F89 HydrophobicContact CG2-CD2 3.98Å; I85-F89 WeakPolarHBondContact O-CB 3.23Å; I85-F89 PolarHBondContact O-N 3.28Å; I85-L90 HydrophobicContact CG2-CD1 4.4Å; I85-L220 HydrophobicContact CB-CD1 4.06Å; I85-L220 HydrophobicContact CD1-CD1 3.51Å; I85-L220 HydrophobicContact CD1-CG 4.48Å; I85-L220 HydrophobicContact CG1-CD1 4.4Å; I85-L220 HydrophobicContact CG2-CD1 3.75Å; I85-L220 HydrophobicContact CG2-CD2 3.58Å; I85-L220 HydrophobicContact CG2-CG 4.3Å
86K81.6Confident73.5Confident83 Ų8352.8 Ų52.836%0.36128%0.278SS..Iπ-helixtrans-57.6-47.5175.4-175.9175.8-179.7177.10110.5F82 E84 K88 L90 W91F82-K86 HydrophobicContact CE1-CD 4.3Å; F82-K86 WeakPolarHBondContact O-CB 3.48Å; F82-K86 PolarHBondContact O-N 2.92Å; E84-K86 PolarHBondContact O-N 3.39Å; K86-K88 VanDerWaalsContact C-N 3.34Å; K86-K88 PolarHBondContact O-N 3.12Å; K86-L90 HydrophobicContact CB-CD1 4.43Å; K86-L90 HydrophobicContact CG-CB 4.36Å; K86-L90 CarbonylContact O-C 3.55Å; K86-L90 PolarHBondContact O-N 3.35Å; K86-L90 VanDerWaalsContact O-N 3.12Å; K86-W91 HydrophobicContact CG-CB 4.1Å; K86-W91 VanDerWaalsContact O-CB 3.31Å; K86-W91 WeakPolarHBondContact O-CB 3.37Å; K86-W91 PolarHBondContact O-N 3.08Å
87H74.1Confident72.2Confident74 Ų7453.1 Ų53.134%0.34329%0.288SS..Iπ-helixtrans-65.4-34.6178.3-171.7-72.2000113.3A83 E84 I85 E93 Q95A83-H87 WeakPolarHBondContact O-CB 3.48Å; A83-H87 PolarHBondContact O-N 3.23Å; E84-H87 PolarHBondContact O-N 3.3Å; I85-H87 VanDerWaalsContact C-N 3.31Å; I85-H87 PolarHBondContact O-N 2.72Å; H87-E93 PolarHBondContact CE1-O 3.06Å; H87-Q95 PolarHBondContact CE1-N 2.64Å
88K74.6Confident71.7Confident57 Ų5753.7 Ų53.725%0.24829%0.292CS..Iπ-helixtrans-90.1-30.2-174.6-68.5-167172.8167.70114.1M80 E84 I85 K86 G96 A97M80-K88 HydrophobicContact CE-CD 3.7Å; E84-K88 HydrophobicContact CG-CD 4Å; E84-K88 HydrophobicContact CG-CG 4.38Å; E84-K88 WeakPolarHBondContact O-CB 3.5Å; E84-K88 VanDerWaalsContact O-CG 3.23Å; E84-K88 WeakPolarHBondContact O-CG 3.47Å; E84-K88 PolarHBondContact O-N 3.14Å; E84-K88 IonicContact OE1-NZ 2.86Å; E84-K88 PolarHBondContact OE1-NZ 2.98Å; I85-K88 PolarHBondContact O-N 2.81Å; K86-K88 VanDerWaalsContact C-N 3.34Å; K86-K88 PolarHBondContact O-N 3.12Å; K88-G96 WeakPolarHBondContact CA-O 3.41Å; K88-G96 WeakPolarHBondContact CB-O 3.5Å; K88-G96 WeakPolarHBondContact CD-O 3.12Å; K88-G96 WeakPolarHBondContact CG-O 3.43Å; K88-A97 HydrophobicContact CB-CB 3.97Å; K88-A97 CarbonylContact O-C 2.95Å; K88-A97 WeakPolarHBondContact O-CB 3.2Å
89F74.6Confident71.2Confident52 Ų5254 Ų5423%0.22830%0.295CS..Iπ-helixtrans-131.5-18.3-167.3-58.4-80.1000114.8F77 M80 I85 A97F77-F89 HydrophobicContact CD1-CE2 4.22Å; F77-F89 HydrophobicContact CE1-CD2 4.2Å; F77-F89 HydrophobicContact CE1-CE1 4.44Å; F77-F89 AromaticContact CE1-CE2 3.84Å; F77-F89 HydrophobicContact CE1-CE2 3.84Å; F77-F89 AromaticContact CE1-CZ 3.99Å; F77-F89 HydrophobicContact CE1-CZ 3.99Å; M80-F89 HydrophobicContact CE-CE2 3.86Å; M80-F89 HydrophobicContact SD-CE2 4.22Å; I85-F89 HydrophobicContact CB-CD2 4.41Å; I85-F89 HydrophobicContact CG2-CB 4.45Å; I85-F89 HydrophobicContact CG2-CD2 3.98Å; I85-F89 WeakPolarHBondContact O-CB 3.23Å; I85-F89 PolarHBondContact O-N 3.28Å; F89-A97 HydrophobicContact CD1-CB 3.58Å; F89-A97 HydrophobicContact CD2-CB 4.5Å; F89-A97 HydrophobicContact CE1-CB 3.14Å; F89-A97 HydrophobicContact CE2-CB 4.15Å; F89-A97 HydrophobicContact CG-CB 4.26Å; F89-A97 HydrophobicContact CZ-CB 3.46Å; F89-A97 VanDerWaalsContact CZ-CB 3.46Å
90L69.1Low71.1Confident10 Ų1053.9 Ų53.95%0.05230%0.295CS..Iπ-helixtrans-119.9-14.7-173-47.6173.7000114.2F82 I85 K86 V215 N240 H241 W263F82-L90 HydrophobicContact CE2-CD1 4.09Å; I85-L90 HydrophobicContact CG2-CD1 4.4Å; K86-L90 HydrophobicContact CB-CD1 4.43Å; K86-L90 HydrophobicContact CG-CB 4.36Å; K86-L90 CarbonylContact O-C 3.55Å; K86-L90 PolarHBondContact O-N 3.35Å; K86-L90 VanDerWaalsContact O-N 3.12Å; L90-V215 HydrophobicContact CD1-CB 3.9Å; L90-V215 HydrophobicContact CD1-CG1 3.62Å; L90-V215 HydrophobicContact CD2-CB 4.08Å; L90-V215 HydrophobicContact CD2-CG1 4.15Å; L90-V215 HydrophobicContact CD2-CG2 4.22Å; L90-N240 HydrophobicContact CB-CB 4.46Å; L90-H241 HydrophobicContact CD2-CB 4.21Å; L90-W263 HydrophobicContact CD2-CZ2 3.95Å
91W58.3Low71.2Confident133 Ų13353.9 Ų53.950%0.50430%0.296SS..SBendtrans-135.5159.1-173.2-169.2-94.3000113.1K86 E93K86-W91 HydrophobicContact CG-CB 4.1Å; K86-W91 VanDerWaalsContact O-CB 3.31Å; K86-W91 WeakPolarHBondContact O-CB 3.37Å; K86-W91 PolarHBondContact O-N 3.08Å; W91-E93 PolarHBondContact O-N 3.22Å
92S45.6Very low71.4Confident36 Ų3652.5 Ų52.525%0.25229%0.286SS..SBendtrans-8216.2-165.458.80000118K142S92-K142 WeakPolarHBondContact CB-O 3.18Å; S92-K142 VanDerWaalsContact O-CD 3.31Å; S92-K142 WeakPolarHBondContact O-CD 3.11Å; S92-K142 WeakPolarHBondContact O-CG 3.28Å
93E33.3Very low71.9Confident110 Ų11049.8 Ų49.851%0.51427%0.274SS..  trans-106.3129.1-175.5-72.8-67.7153.600111.2H87 W91 Q95H87-E93 PolarHBondContact CE1-O 3.06Å; W91-E93 PolarHBondContact O-N 3.22Å; E93-Q95 PolarHBondContact O-N 2.94Å
94P37.1Very low72.4Confident79 Ų7949.2 Ų49.251%0.51326%0.258SS..  trans-79123.1-168.429.3-31.1000112.1
95Q31.2Very low73Confident166 Ų16647.9 Ų47.978%0.77625%0.252SS*.SBendtrans-177.573.5140-95.8161.586.300111.4H87 E93H87-Q95 PolarHBondContact CE1-N 2.64Å; E93-Q95 PolarHBondContact O-N 2.94Å
96G50.5Low73.6Confident48 Ų4847.8 Ų47.850%0.49525%0.252SS..SBendtrans95.3137.516100000116.8K88K88-G96 WeakPolarHBondContact CA-O 3.41Å; K88-G96 WeakPolarHBondContact CB-O 3.5Å; K88-G96 WeakPolarHBondContact CD-O 3.12Å; K88-G96 WeakPolarHBondContact CG-O 3.43Å
97A65.9Low74.4Confident52 Ų5243.9 Ų43.943%0.4324%0.235SC..SBendtrans65.3146.3-160.500000113.6K88 F89K88-A97 HydrophobicContact CB-CB 3.97Å; K88-A97 CarbonylContact O-C 2.95Å; K88-A97 WeakPolarHBondContact O-CB 3.2Å; F89-A97 HydrophobicContact CD1-CB 3.58Å; F89-A97 HydrophobicContact CD2-CB 4.5Å; F89-A97 HydrophobicContact CE1-CB 3.14Å; F89-A97 HydrophobicContact CE2-CB 4.15Å; F89-A97 HydrophobicContact CG-CB 4.26Å; F89-A97 HydrophobicContact CZ-CB 3.46Å; F89-A97 VanDerWaalsContact CZ-CB 3.46Å
98C82.8Confident75.5Confident17 Ų1740.4 Ų40.412%0.11522%0.219CC..  trans-109.1123.1-163.3-177.30000110.5S100 C141 G169C98-S100 PolarHBondContact O-N 3.23Å; C98-S100 WeakPolarHBondContact SG-CB 3.21Å; C98-C141 HydrophobicContact CB-CB 3.9Å; C98-C141 WeakPolarHBondContact CB-SG 3.42Å; C98-C141 WeakPolarHBondContact SG-CA 3.22Å; C98-C141 WeakPolarHBondContact SG-CB 3.05Å; C98-C141 CovalentContact SG-SG 2.04Å; C98-C141 PolarHBondContact SG-SG 3.48Å; C98-G169 WeakPolarHBondContact CB-O 3.2Å
99G86.6Confident76.7Confident6 Ų637.7 Ų37.76%0.06221%0.207CC..  trans-75.848.5173.300000112.9C141 G143G99-C141 VanDerWaalsContact CA-O 3.24Å; G99-C141 WeakPolarHBondContact CA-O 3.07Å; G99-C141 PolarHBondContact N-O 3.06Å; G99-G143 WeakPolarHBondContact O-CA 3.46Å; G99-G143 PolarHBondContact O-N 3.08Å
100S93.8Very high77.8Confident1 Ų135.8 Ų35.81%0.00720%0.199CC..  trans-97.522.4-177.869.90000113.7C98 W102 T103 F104 Y167C98-S100 PolarHBondContact O-N 3.23Å; C98-S100 WeakPolarHBondContact SG-CB 3.21Å; S100-W102 PolarHBondContact O-N 2.88Å; S100-W102 VanDerWaalsContact O-N 3.1Å; S100-T103 PolarHBondContact O-N 3.39Å; S100-T103 PolarHBondContact O-OG1 2.87Å; S100-F104 WeakPolarHBondContact O-CD2 3.28Å; S100-Y167 PolarHBondContact OG-OH 2.86Å
101C94.9Very high79.2Confident14 Ų1436.1 Ų36.110%0.09520%0.2CC..Hα-helixtrans-54.4-31.8178.253.70000113.4T103 F104 S105 H241 A242C101-T103 VanDerWaalsContact C-N 3.26Å; C101-T103 PolarHBondContact O-N 2.79Å; C101-F104 PolarHBondContact O-N 3.02Å; C101-S105 PolarHBondContact O-N 3.4Å; C101-H241 WeakPolarHBondContact CB-CE1 3.32Å; C101-H241 WeakPolarHBondContact CB-ND1 3.43Å; C101-H241 PolarHBondContact SG-ND1 3.21Å; C101-A242 PolarHBondContact SG-N 2.78Å; C101-A242 VanDerWaalsContact SG-N 3.4Å
102W97.9Very high81.1Confident1 Ų131.1 Ų31.10%0.00419%0.186CC..Hα-helixtrans-58-34.9173.569-85000113.2S100 T106 L129 A133 N138 G140 G144 A149 A242S100-W102 PolarHBondContact O-N 2.88Å; S100-W102 VanDerWaalsContact O-N 3.1Å; W102-T106 WeakPolarHBondContact O-CB 3.48Å; W102-T106 PolarHBondContact O-N 3.34Å; W102-T106 PolarHBondContact O-OG1 2.88Å; W102-L129 HydrophobicContact CH2-CB 3.82Å; W102-L129 WeakPolarHBondContact CH2-O 3.36Å; W102-L129 HydrophobicContact CZ3-CB 3.99Å; W102-A133 HydrophobicContact CH2-CB 4.05Å; W102-A133 HydrophobicContact CZ3-CB 4.48Å; W102-N138 HydrophobicContact CH2-CB 3.46Å; W102-N138 VanDerWaalsContact CH2-CB 3.46Å; W102-N138 HydrophobicContact CZ2-CB 3.85Å; W102-N138 HydrophobicContact CZ3-CB 3.9Å; W102-N138 VanDerWaalsContact CZ3-CG 3.48Å; W102-N138 WeakPolarHBondContact CZ3-OD1 3.43Å; W102-G140 PolarHBondContact NE1-O 2.81Å; W102-G144 VanDerWaalsContact CB-O 3.23Å; W102-G144 WeakPolarHBondContact CB-O 3.45Å; W102-G144 VanDerWaalsContact CD1-N 3.3Å; W102-A149 HydrophobicContact CE3-CB 3.83Å; W102-A149 HydrophobicContact CZ3-CB 3.55Å; W102-A242 HydrophobicContact CB-CB 4.15Å
103T98.3Very high83.7Confident0 Ų030.7 Ų30.70%018%0.184CC..Hα-helixtrans-70.6-43.6177.967.80000110.9S100 C101 S105 T106 T107 E126 L129 V130S100-T103 PolarHBondContact O-N 3.39Å; S100-T103 PolarHBondContact O-OG1 2.87Å; C101-T103 VanDerWaalsContact C-N 3.26Å; C101-T103 PolarHBondContact O-N 2.79Å; T103-S105 VanDerWaalsContact C-N 3.34Å; T103-S105 PolarHBondContact O-N 2.87Å; T103-T106 WeakPolarHBondContact O-CB 3.07Å; T103-T106 PolarHBondContact O-N 3.38Å; T103-T106 VanDerWaalsContact O-N 3.14Å; T103-T107 WeakPolarHBondContact O-CG2 3.19Å; T103-T107 PolarHBondContact O-N 3.45Å; T103-T107 PolarHBondContact O-OG1 3.07Å; T103-T107 VanDerWaalsContact O-OG1 3.04Å; T103-E126 VanDerWaalsContact OG1-CB 3.31Å; T103-E126 WeakPolarHBondContact OG1-CB 3.47Å; T103-E126 WeakPolarHBondContact OG1-CG 3.38Å; T103-L129 HydrophobicContact CG2-CB 3.54Å; T103-L129 HydrophobicContact CG2-CD1 4.27Å; T103-V130 HydrophobicContact CG2-CG2 3.85Å
104F98Very high86.7Confident63 Ų6326.9 Ų26.928%0.27617%0.168SC..Hα-helixtrans-65.4-35.3176.6-71.5-83.7000112.8S100 C101 T107 G108 E126 Y167S100-F104 WeakPolarHBondContact O-CD2 3.28Å; C101-F104 PolarHBondContact O-N 3.02Å; F104-T107 WeakPolarHBondContact CA-OG1 3.4Å; F104-T107 PolarHBondContact O-OG1 3.34Å; F104-G108 PolarHBondContact O-N 2.86Å; F104-E126 HydrophobicContact CB-CG 4.46Å; F104-E126 HydrophobicContact CD1-CG 3.62Å; F104-E126 WeakPolarHBondContact CD1-OE1 3.11Å; F104-E126 HydrophobicContact CD2-CG 4.03Å; F104-E126 HydrophobicContact CE1-CG 3.7Å; F104-E126 HydrophobicContact CE2-CB 4.44Å; F104-E126 HydrophobicContact CE2-CG 4.1Å; F104-E126 HydrophobicContact CG-CG 3.79Å; F104-E126 HydrophobicContact CZ-CB 4.33Å; F104-E126 HydrophobicContact CZ-CG 3.94Å; F104-Y167 HydrophobicContact CE2-CE1 4.3Å; F104-Y167 AromaticContact CE2-CE2 3.97Å; F104-Y167 HydrophobicContact CE2-CE2 3.97Å; F104-Y167 AromaticContact CE2-CZ 3.79Å; F104-Y167 HydrophobicContact CZ-CD1 4.21Å; F104-Y167 HydrophobicContact CZ-CD2 4.28Å; F104-Y167 AromaticContact CZ-CE1 3.99Å; F104-Y167 HydrophobicContact CZ-CE1 3.99Å; F104-Y167 HydrophobicContact CZ-CE2 4.06Å; F104-Y167 HydrophobicContact CZ-CG 4.34Å; F104-Y167 AromaticContact CZ-CZ 3.9Å
105S98.5Very high89.7Confident2 Ų224.1 Ų24.11%0.01415%0.152CC..Hα-helixtrans-65.2-41.9171.8178.90000111C101 T103 A109 S210 V243C101-S105 PolarHBondContact O-N 3.4Å; T103-S105 VanDerWaalsContact C-N 3.34Å; T103-S105 PolarHBondContact O-N 2.87Å; S105-A109 WeakPolarHBondContact O-CB 3.35Å; S105-A109 PolarHBondContact O-N 2.95Å; S105-A109 VanDerWaalsContact O-N 3.12Å; S105-S210 PolarHBondContact O-OG 3.17Å; S105-S210 WeakPolarHBondContact OG-CB 3.36Å; S105-S210 PolarHBondContact OG-OG 3.24Å; S105-S210 VanDerWaalsContact OG-OG 3.05Å; S105-V243 PolarHBondContact OG-O 3.37Å
106T98.8Very high92.8Very high0 Ų021.2 Ų21.20%014%0.141CC..Hα-helixtrans-65.3-53.4178.1-54.10000111.7W102 T103 G108 A109 L110 L129 P146 A149 F150 I153W102-T106 WeakPolarHBondContact O-CB 3.48Å; W102-T106 PolarHBondContact O-N 3.34Å; W102-T106 PolarHBondContact O-OG1 2.88Å; T103-T106 WeakPolarHBondContact O-CB 3.07Å; T103-T106 PolarHBondContact O-N 3.38Å; T103-T106 VanDerWaalsContact O-N 3.14Å; T106-G108 PolarHBondContact O-N 3.2Å; T106-A109 PolarHBondContact O-N 3.47Å; T106-L110 PolarHBondContact O-N 3.32Å; T106-L110 VanDerWaalsContact O-N 3.07Å; T106-L129 HydrophobicContact CG2-CD1 3.71Å; T106-P146 WeakPolarHBondContact OG1-CA 3.14Å; T106-A149 HydrophobicContact CG2-CB 3.54Å; T106-A149 VanDerWaalsContact OG1-CB 3.32Å; T106-A149 WeakPolarHBondContact OG1-CB 3.35Å; T106-F150 HydrophobicContact CG2-CD1 3.55Å; T106-F150 HydrophobicContact CG2-CE1 3.41Å; T106-F150 VanDerWaalsContact CG2-CE1 3.41Å; T106-F150 HydrophobicContact CG2-CG 4.39Å; T106-F150 HydrophobicContact CG2-CZ 4.15Å; T106-F150 WeakPolarHBondContact O-CE1 3.34Å; T106-I153 HydrophobicContact CG2-CD1 3.9Å
107T98.6Very high95.1Very high1 Ų123.3 Ų23.31%0.00615%0.153CC..Hα-helixtrans-61.2-46.4179.950.50000110T103 F104 A109 L110 E111 L124 E126 L129 I159T103-T107 WeakPolarHBondContact O-CG2 3.19Å; T103-T107 PolarHBondContact O-N 3.45Å; T103-T107 PolarHBondContact O-OG1 3.07Å; T103-T107 VanDerWaalsContact O-OG1 3.04Å; F104-T107 WeakPolarHBondContact CA-OG1 3.4Å; F104-T107 PolarHBondContact O-OG1 3.34Å; T107-A109 PolarHBondContact O-N 2.65Å; T107-L110 PolarHBondContact O-N 3.08Å; T107-E111 VanDerWaalsContact O-CB 3.27Å; T107-E111 WeakPolarHBondContact O-CB 3.39Å; T107-E111 WeakPolarHBondContact O-CG 3.43Å; T107-E111 PolarHBondContact O-N 2.97Å; T107-L124 HydrophobicContact CG2-CB 3.78Å; T107-E126 WeakPolarHBondContact CB-OE1 3.42Å; T107-E126 HydrophobicContact CG2-CG 3.93Å; T107-E126 PolarHBondContact OG1-OE1 2.86Å; T107-L129 HydrophobicContact CG2-CD1 4.18Å; T107-I159 HydrophobicContact CG2-CD1 4.19Å
108G98Very high96.6Very high0 Ų024.5 Ų24.50%016%0.158CC..Hα-helixtrans-59.9-39.2178.900000114.4F104 T106 S112F104-G108 PolarHBondContact O-N 2.86Å; T106-G108 PolarHBondContact O-N 3.2Å; G108-S112 WeakPolarHBondContact O-CB 3.27Å; G108-S112 PolarHBondContact O-N 2.82Å; G108-S112 VanDerWaalsContact O-N 3.15Å; G108-S112 PolarHBondContact O-OG 2.75Å
109A98.7Very high97.2Very high0 Ų027 Ų270%019%0.188CC..Hα-helixtrans-66.1-48.2174.200000111.6S105 T106 T107 S112 A113 F150 S210 L244S105-A109 WeakPolarHBondContact O-CB 3.35Å; S105-A109 PolarHBondContact O-N 2.95Å; S105-A109 VanDerWaalsContact O-N 3.12Å; T106-A109 PolarHBondContact O-N 3.47Å; T107-A109 PolarHBondContact O-N 2.65Å; A109-S112 WeakPolarHBondContact O-CB 3.45Å; A109-S112 PolarHBondContact O-N 3.24Å; A109-A113 PolarHBondContact O-N 2.92Å; A109-F150 HydrophobicContact CB-CE1 4.15Å; A109-F150 HydrophobicContact CB-CZ 3.66Å; A109-S210 WeakPolarHBondContact CB-OG 3.33Å; A109-L244 HydrophobicContact CB-CD1 3.68Å
110L98.8Very high97.6Very high13 Ų1332.3 Ų32.37%0.06821%0.209CC..Hα-helixtrans-68.3-40-178.4-177.457.6000112.6T106 T107 S112 A113 V114 L124 I153 I159 A183 V185T106-L110 PolarHBondContact O-N 3.32Å; T106-L110 VanDerWaalsContact O-N 3.07Å; T107-L110 PolarHBondContact O-N 3.08Å; L110-S112 VanDerWaalsContact C-N 3.28Å; L110-S112 PolarHBondContact O-N 3.28Å; L110-A113 PolarHBondContact O-N 3.03Å; L110-V114 HydrophobicContact CD1-CG2 4.24Å; L110-V114 WeakPolarHBondContact O-CB 3.33Å; L110-V114 VanDerWaalsContact O-CG2 3.3Å; L110-V114 WeakPolarHBondContact O-CG2 3.37Å; L110-V114 PolarHBondContact O-N 3.45Å; L110-L124 HydrophobicContact CB-CD1 3.97Å; L110-L124 HydrophobicContact CD2-CD1 3.74Å; L110-L124 HydrophobicContact CG-CD1 3.74Å; L110-I153 HydrophobicContact CD2-CD1 3.87Å; L110-I153 HydrophobicContact CD2-CG2 4.23Å; L110-I159 HydrophobicContact CD2-CG2 3.81Å; L110-A183 HydrophobicContact CD2-CB 4.12Å; L110-A183 HydrophobicContact CG-CB 4.34Å; L110-V185 HydrophobicContact CD1-CG2 4.02Å; L110-V185 HydrophobicContact CD2-CG2 4Å
111E98.6Very high97.6Very high17 Ų1739 Ų398%0.07924%0.242CC..Hα-helixtrans-55.2-46.6171.2-74.5166.7176.600110.7T107 V114 A115 L122 S123 L124T107-E111 VanDerWaalsContact O-CB 3.27Å; T107-E111 WeakPolarHBondContact O-CB 3.39Å; T107-E111 WeakPolarHBondContact O-CG 3.43Å; T107-E111 PolarHBondContact O-N 2.97Å; E111-V114 PolarHBondContact O-N 3.01Å; E111-A115 VanDerWaalsContact O-CB 3.28Å; E111-A115 WeakPolarHBondContact O-CB 3.24Å; E111-A115 PolarHBondContact O-N 3.31Å; E111-L122 WeakPolarHBondContact CG-O 3.36Å; E111-S123 WeakPolarHBondContact OE1-CA 3.41Å; E111-L124 HydrophobicContact CG-CB 4.3Å; E111-L124 HydrophobicContact CG-CD1 3.88Å; E111-L124 HydrophobicContact CG-CG 3.7Å; E111-L124 PolarHBondContact OE1-N 3.35Å
112S98.3Very high97.5Very high28 Ų2838.9 Ų38.920%0.19624%0.24CC..Hα-helixtrans-65.4-45.4179-58.10000111.4G108 A109 L110 V114 A115 I116G108-S112 WeakPolarHBondContact O-CB 3.27Å; G108-S112 PolarHBondContact O-N 2.82Å; G108-S112 VanDerWaalsContact O-N 3.15Å; G108-S112 PolarHBondContact O-OG 2.75Å; A109-S112 WeakPolarHBondContact O-CB 3.45Å; A109-S112 PolarHBondContact O-N 3.24Å; L110-S112 VanDerWaalsContact C-N 3.28Å; L110-S112 PolarHBondContact O-N 3.28Å; S112-V114 VanDerWaalsContact C-N 3.34Å; S112-V114 PolarHBondContact O-N 3.27Å; S112-A115 PolarHBondContact O-N 2.8Å; S112-I116 WeakPolarHBondContact O-CB 3.43Å; S112-I116 WeakPolarHBondContact O-CD1 3.38Å; S112-I116 WeakPolarHBondContact O-CG1 3.16Å; S112-I116 PolarHBondContact O-N 3.18Å
113A98.4Very high97.5Very high27 Ų2742 Ų4222%0.22326%0.263CS..Hα-helixtrans-60.9-42.3177.400000111.9A109 L110 I116 A117A109-A113 PolarHBondContact O-N 2.92Å; L110-A113 PolarHBondContact O-N 3.03Å; A113-I116 PolarHBondContact O-N 3.23Å; A113-A117 VanDerWaalsContact O-CB 3.28Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 3.42Å
114V98.1Very high97.5Very high29 Ų2942 Ų4218%0.17626%0.263CS..Hα-helixtrans-65.7-44.1175.3172.40000111.1L110 E111 S112 I116 A117 S118 L122 A183L110-V114 HydrophobicContact CD1-CG2 4.24Å; L110-V114 WeakPolarHBondContact O-CB 3.33Å; L110-V114 VanDerWaalsContact O-CG2 3.3Å; L110-V114 WeakPolarHBondContact O-CG2 3.37Å; L110-V114 PolarHBondContact O-N 3.45Å; E111-V114 PolarHBondContact O-N 3.01Å; S112-V114 VanDerWaalsContact C-N 3.34Å; S112-V114 PolarHBondContact O-N 3.27Å; V114-I116 PolarHBondContact O-N 3.06Å; V114-A117 PolarHBondContact O-N 2.04Å; V114-S118 WeakPolarHBondContact O-CB 3.49Å; V114-S118 PolarHBondContact O-N 2.88Å; V114-S118 PolarHBondContact O-OG 3.37Å; V114-L122 HydrophobicContact CB-CD1 4.49Å; V114-L122 HydrophobicContact CG1-CD1 3.8Å; V114-L122 HydrophobicContact CG1-CG 4.18Å; V114-A183 HydrophobicContact CG2-CB 4.2Å
115A98.2Very high97.5Very high21 Ų2139 Ų3917%0.17425%0.249CC..Hα-helixtrans-63.2-40.9178.300000111.8E111 S112 G119 K120 M121E111-A115 VanDerWaalsContact O-CB 3.28Å; E111-A115 WeakPolarHBondContact O-CB 3.24Å; E111-A115 PolarHBondContact O-N 3.31Å; S112-A115 PolarHBondContact O-N 2.8Å; A115-G119 WeakPolarHBondContact O-CA 2.95Å; A115-G119 PolarHBondContact O-N 2.77Å; A115-K120 WeakPolarHBondContact CA-O 3.46Å; A115-M121 HydrophobicContact CB-CE 4.03Å; A115-M121 HydrophobicContact CB-SD 4.1Å
116I98.1Very high97.5Very high106 Ų10639.7 Ų39.754%0.54425%0.252SS..Hα-helixtrans-64.5-45.9175.4-70.3163.9000110.8S112 A113 V114 N207S112-I116 WeakPolarHBondContact O-CB 3.43Å; S112-I116 WeakPolarHBondContact O-CD1 3.38Å; S112-I116 WeakPolarHBondContact O-CG1 3.16Å; S112-I116 PolarHBondContact O-N 3.18Å; A113-I116 PolarHBondContact O-N 3.23Å; V114-I116 PolarHBondContact O-N 3.06Å; I116-N207 HydrophobicContact CD1-CB 3.81Å
117A97.6Very high97.5Very high91 Ų9139.7 Ų39.775%0.75225%0.252SS*.Hα-helixtrans-75.1-31-175.100000113.9A113 V114A113-A117 VanDerWaalsContact O-CB 3.28Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 3.42Å; V114-A117 PolarHBondContact O-N 2.04Å
118S97.3Very high97.5Very high77 Ų7739.6 Ų39.654%0.53825%0.252SS..Hα-helixtrans-124.5-13-169.372.90000115.3V114 K120V114-S118 WeakPolarHBondContact O-CB 3.49Å; V114-S118 PolarHBondContact O-N 2.88Å; V114-S118 PolarHBondContact O-OG 3.37Å; S118-K120 PolarHBondContact O-N 3.42Å; S118-K120 PolarHBondContact OG-N 3.34Å
119G96.4Very high97.5Very high71 Ų7139.6 Ų39.673%0.73225%0.252SS*.SBendtrans74.7-0.4-171.200000114.7A115A115-G119 WeakPolarHBondContact O-CA 2.95Å; A115-G119 PolarHBondContact O-N 2.77Å
120K94.9Very high97.5Very high117 Ų11739.6 Ų39.651%0.50925%0.252SS..  trans-95.4120178.7-170.7-177.4178-151.80110.8A115 S118 L122 E161A115-K120 WeakPolarHBondContact CA-O 3.46Å; S118-K120 PolarHBondContact O-N 3.42Å; S118-K120 PolarHBondContact OG-N 3.34Å; K120-L122 HydrophobicContact CD-CD2 3.6Å; K120-L122 HydrophobicContact CG-CD2 3.84Å; K120-L122 VanDerWaalsContact NZ-CD2 3.27Å; K120-E161 IonicContact NZ-OE1 3.82Å
121M93.7Very high97.5Very high140 Ų14039.2 Ų39.269%0.6925%0.25SC*.  trans-81.9129.8169.4-167.864.772.200109.8A115A115-M121 HydrophobicContact CB-CE 4.03Å; A115-M121 HydrophobicContact CB-SD 4.1Å
122L93.4Very high97.5Very high12 Ų1239.2 Ų39.26%0.06325%0.251CS..  trans-115.4160.7175.5-55.6-178000109.5E111 V114 K120 L124 E161 V182 A183E111-L122 WeakPolarHBondContact CG-O 3.36Å; V114-L122 HydrophobicContact CB-CD1 4.49Å; V114-L122 HydrophobicContact CG1-CD1 3.8Å; V114-L122 HydrophobicContact CG1-CG 4.18Å; K120-L122 HydrophobicContact CD-CD2 3.6Å; K120-L122 HydrophobicContact CG-CD2 3.84Å; K120-L122 VanDerWaalsContact NZ-CD2 3.27Å; L122-L124 HydrophobicContact CB-CD2 3.93Å; L122-L124 HydrophobicContact CB-CG 4.34Å; L122-L124 HydrophobicContact CD1-CD2 3.99Å; L122-E161 WeakPolarHBondContact CD2-OE1 3.46Å; L122-V182 HydrophobicContact CD1-CG2 4.04Å; L122-A183 HydrophobicContact CD1-CB 4.01Å
123S96.2Very high97.5Very high68 Ų6837.9 Ų37.948%0.47624%0.242SC..  trans-119109.6163-165.30000107E111 E161 E162E111-S123 WeakPolarHBondContact OE1-CA 3.41Å; S123-E161 CarbonylContact O-C 3.52Å; S123-E161 VanDerWaalsContact O-CA 3.23Å; S123-E161 WeakPolarHBondContact O-CA 3.4Å; S123-E161 WeakPolarHBondContact O-CB 3.06Å; S123-E162 PolarHBondContact O-N 2.99Å
124L98.3Very high97.5Very high0 Ų040.7 Ų40.70%025%0.25CS..BIsolated β-bridgetrans-93.8149.5-172.4-58.9180000111.1T107 L110 E111 L122 E126 I159 V182 A183T107-L124 HydrophobicContact CG2-CB 3.78Å; L110-L124 HydrophobicContact CB-CD1 3.97Å; L110-L124 HydrophobicContact CD2-CD1 3.74Å; L110-L124 HydrophobicContact CG-CD1 3.74Å; E111-L124 HydrophobicContact CG-CB 4.3Å; E111-L124 HydrophobicContact CG-CD1 3.88Å; E111-L124 HydrophobicContact CG-CG 3.7Å; E111-L124 PolarHBondContact OE1-N 3.35Å; L122-L124 HydrophobicContact CB-CD2 3.93Å; L122-L124 HydrophobicContact CB-CG 4.34Å; L122-L124 HydrophobicContact CD1-CD2 3.99Å; L124-E126 PolarHBondContact O-N 3.44Å; L124-I159 HydrophobicContact CB-CD1 4.33Å; L124-I159 HydrophobicContact CD1-CG2 3.94Å; L124-I159 HydrophobicContact CD2-CG2 4.18Å; L124-I159 HydrophobicContact CG-CG2 4.45Å; L124-V182 HydrophobicContact CD2-CG2 3.67Å; L124-A183 HydrophobicContact CD1-CB 3.91Å; L124-A183 HydrophobicContact CD2-CB 3.74Å
125A98.4Very high97.5Very high0 Ų043.7 Ų43.70%028%0.278CS..  trans-78.7100.6-172.100000113Q127 Q128 M160 Y165A125-Q127 PolarHBondContact O-N 2.95Å; A125-Q128 HydrophobicContact CB-CB 4.18Å; A125-Q128 WeakPolarHBondContact O-CB 3.14Å; A125-Q128 PolarHBondContact O-N 3.39Å; A125-M160 WeakPolarHBondContact CB-O 3.41Å; A125-M160 PolarHBondContact N-O 2.64Å; A125-Y165 HydrophobicContact CB-CG 4.33Å; A125-Y165 WeakPolarHBondContact CB-O 3.32Å
126E98.6Very high97.5Very high15 Ų1545.4 Ų45.47%0.0728%0.282CS..Hα-helixtrans-56.7-35.7171.8-74.383.5-166.800112.2T103 F104 T107 L124 Q128 L129 V130 Y167T103-E126 VanDerWaalsContact OG1-CB 3.31Å; T103-E126 WeakPolarHBondContact OG1-CB 3.47Å; T103-E126 WeakPolarHBondContact OG1-CG 3.38Å; F104-E126 HydrophobicContact CB-CG 4.46Å; F104-E126 HydrophobicContact CD1-CG 3.62Å; F104-E126 WeakPolarHBondContact CD1-OE1 3.11Å; F104-E126 HydrophobicContact CD2-CG 4.03Å; F104-E126 HydrophobicContact CE1-CG 3.7Å; F104-E126 HydrophobicContact CE2-CB 4.44Å; F104-E126 HydrophobicContact CE2-CG 4.1Å; F104-E126 HydrophobicContact CG-CG 3.79Å; F104-E126 HydrophobicContact CZ-CB 4.33Å; F104-E126 HydrophobicContact CZ-CG 3.94Å; T107-E126 WeakPolarHBondContact CB-OE1 3.42Å; T107-E126 HydrophobicContact CG2-CG 3.93Å; T107-E126 PolarHBondContact OG1-OE1 2.86Å; L124-E126 PolarHBondContact O-N 3.44Å; E126-Q128 VanDerWaalsContact C-N 3.25Å; E126-Q128 PolarHBondContact O-N 2.05Å; E126-L129 WeakPolarHBondContact O-CB 3.27Å; E126-L129 PolarHBondContact O-N 3.19Å; E126-V130 PolarHBondContact O-N 3.45Å; E126-Y167 HydrophobicContact CB-CD2 3.85Å; E126-Y167 HydrophobicContact CB-CE2 4.24Å
127Q98.4Very high97.5Very high0 Ų045.5 Ų45.50%028%0.284CS..Hα-helixtrans-65.2-29.2-177.6-16464.453.200112.9A125 L129 V130 D131 Y165 Y167 I168 K170A125-Q127 PolarHBondContact O-N 2.95Å; Q127-L129 VanDerWaalsContact C-N 3.27Å; Q127-L129 PolarHBondContact O-N 2.89Å; Q127-V130 PolarHBondContact O-N 3.22Å; Q127-D131 PolarHBondContact NE2-OD1 2.83Å; Q127-D131 WeakPolarHBondContact O-CB 3.48Å; Q127-D131 VanDerWaalsContact O-CG 3.26Å; Q127-D131 PolarHBondContact O-N 3.16Å; Q127-Y165 HydrophobicContact CB-CD1 3.72Å; Q127-Y165 HydrophobicContact CB-CE1 3.77Å; Q127-Y165 HydrophobicContact CG-CD1 3.91Å; Q127-Y165 HydrophobicContact CG-CE1 3.52Å; Q127-Y167 HydrophobicContact CB-CD2 4.31Å; Q127-I168 VanDerWaalsContact CD-CG1 3.41Å; Q127-I168 HydrophobicContact CG-CG1 4.11Å; Q127-K170 PolarHBondContact NE2-O 3.43Å
128Q98.8Very high97.5Very high0 Ų041.2 Ų41.20%025%0.248CC..Hα-helixtrans-61.3-41.7172.6-176.8-175.4-40.100110.3A125 E126 D131 C132 Y152 N156 G158 Y165 F176A125-Q128 HydrophobicContact CB-CB 4.18Å; A125-Q128 WeakPolarHBondContact O-CB 3.14Å; A125-Q128 PolarHBondContact O-N 3.39Å; E126-Q128 VanDerWaalsContact C-N 3.25Å; E126-Q128 PolarHBondContact O-N 2.05Å; Q128-D131 PolarHBondContact O-N 3.39Å; Q128-C132 HydrophobicContact CG-CB 4.42Å; Q128-C132 WeakPolarHBondContact O-CB 3.47Å; Q128-C132 PolarHBondContact O-N 3.18Å; Q128-C132 PolarHBondContact O-SG 2.97Å; Q128-Y152 HydrophobicContact CG-CE1 4.49Å; Q128-Y152 PolarHBondContact NE2-OH 3.09Å; Q128-N156 PolarHBondContact NE2-ND2 3.07Å; Q128-G158 PolarHBondContact NE2-O 2.93Å; Q128-Y165 HydrophobicContact CB-CD2 3.9Å; Q128-Y165 HydrophobicContact CB-CE2 3.97Å; Q128-Y165 HydrophobicContact CB-CG 4.38Å; Q128-Y165 HydrophobicContact CG-CD2 4.31Å; Q128-Y165 HydrophobicContact CG-CE2 4.17Å; Q128-F176 HydrophobicContact CG-CD2 4.42Å; Q128-F176 VanDerWaalsContact NE2-CD2 3.31Å
129L98.8Very high97.5Very high0 Ų043 Ų430%025%0.248CC..Hα-helixtrans-66.9-43.3177.5-59.9178.9000111.1W102 T103 T106 T107 E126 Q127 D131 A133 A149 Y152 I153 I159W102-L129 HydrophobicContact CH2-CB 3.82Å; W102-L129 WeakPolarHBondContact CH2-O 3.36Å; W102-L129 HydrophobicContact CZ3-CB 3.99Å; T103-L129 HydrophobicContact CG2-CB 3.54Å; T103-L129 HydrophobicContact CG2-CD1 4.27Å; T106-L129 HydrophobicContact CG2-CD1 3.71Å; T107-L129 HydrophobicContact CG2-CD1 4.18Å; E126-L129 WeakPolarHBondContact O-CB 3.27Å; E126-L129 PolarHBondContact O-N 3.19Å; Q127-L129 VanDerWaalsContact C-N 3.27Å; Q127-L129 PolarHBondContact O-N 2.89Å; L129-D131 VanDerWaalsContact C-N 3.3Å; L129-D131 PolarHBondContact O-N 3.31Å; L129-A133 VanDerWaalsContact O-CB 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.12Å; L129-A133 PolarHBondContact O-N 2.83Å; L129-A149 HydrophobicContact CD1-CB 4.41Å; L129-A149 HydrophobicContact CD2-CB 4.45Å; L129-Y152 HydrophobicContact CD2-CD1 3.51Å; L129-Y152 HydrophobicContact CD2-CE1 3.69Å; L129-I153 HydrophobicContact CD2-CD1 4.1Å; L129-I153 HydrophobicContact CD2-CG1 3.96Å; L129-I159 HydrophobicContact CD1-CD1 4.22Å; L129-I159 HydrophobicContact CD2-CD1 4.03Å; L129-I159 HydrophobicContact CG-CD1 3.94Å
130V98.2Very high97.4Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-55.9-46.2175.1175.10000111.3T103 E126 Q127 Q134 G140 Y167T103-V130 HydrophobicContact CG2-CG2 3.85Å; E126-V130 PolarHBondContact O-N 3.45Å; Q127-V130 PolarHBondContact O-N 3.22Å; V130-Q134 PolarHBondContact O-NE2 2.94Å; V130-G140 WeakPolarHBondContact O-CA 3.35Å; V130-Y167 HydrophobicContact CG2-CE2 4.41Å
131D98.6Very high97.4Very high5 Ų535 Ų353%0.02720%0.195CC..Hα-helixtrans-88.5-25.1-169.8-67.4-10000114Q127 Q128 L129 Q134 Y165 S172 R175Q127-D131 PolarHBondContact NE2-OD1 2.83Å; Q127-D131 WeakPolarHBondContact O-CB 3.48Å; Q127-D131 VanDerWaalsContact O-CG 3.26Å; Q127-D131 PolarHBondContact O-N 3.16Å; Q128-D131 PolarHBondContact O-N 3.39Å; L129-D131 VanDerWaalsContact C-N 3.3Å; L129-D131 PolarHBondContact O-N 3.31Å; D131-Q134 PolarHBondContact O-NE2 2.84Å; D131-Q134 PolarHBondContact O-OE1 2.96Å; D131-Y165 WeakPolarHBondContact CB-OH 3.49Å; D131-Y165 WeakPolarHBondContact OD2-CE1 3.12Å; D131-Y165 PolarHBondContact OD2-OH 3.18Å; D131-S172 PolarHBondContact OD1-N 3.44Å; D131-R175 IonicContact OD2-CZ 3.67Å; D131-R175 IonicContact OD2-NH1 3.78Å; D131-R175 PolarHBondContact OD2-NH1 2.6Å; D131-R175 IonicContact OD2-NH2 3.68Å
132C98.8Very high97.2Very high16 Ų1633.3 Ų33.311%0.10818%0.184CC..Hα-helixtrans-122.3-14.1-165.9-54.50000116Q128 Q134 Y152 C174Q128-C132 HydrophobicContact CG-CB 4.42Å; Q128-C132 WeakPolarHBondContact O-CB 3.47Å; Q128-C132 PolarHBondContact O-N 3.18Å; Q128-C132 PolarHBondContact O-SG 2.97Å; C132-Q134 VanDerWaalsContact C-N 3.34Å; C132-Q134 PolarHBondContact O-N 3.41Å; C132-Y152 HydrophobicContact CB-CE2 4.04Å; C132-Y152 WeakPolarHBondContact CB-OH 3.45Å; C132-Y152 WeakPolarHBondContact O-CE2 3.47Å; C132-C174 HydrophobicContact CB-CB 3.94Å; C132-C174 WeakPolarHBondContact CB-SG 3.25Å; C132-C174 WeakPolarHBondContact SG-CA 3.32Å; C132-C174 WeakPolarHBondContact SG-CB 3.37Å; C132-C174 CovalentContact SG-SG 2.04Å; C132-C174 PolarHBondContact SG-SG 2.96Å
133A98.6Very high97.2Very high0 Ų033.6 Ų33.60%019%0.19CC..  trans-89.612.6-168.300000115W102 L129 A135 F136 N138 Y152W102-A133 HydrophobicContact CH2-CB 4.05Å; W102-A133 HydrophobicContact CZ3-CB 4.48Å; L129-A133 VanDerWaalsContact O-CB 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.12Å; L129-A133 PolarHBondContact O-N 2.83Å; A133-A135 VanDerWaalsContact C-N 3.29Å; A133-A135 PolarHBondContact O-N 2.93Å; A133-F136 PolarHBondContact O-N 2.9Å; A133-F136 VanDerWaalsContact O-N 3.11Å; A133-N138 HydrophobicContact CB-CB 4.15Å; A133-N138 PolarHBondContact O-ND2 3.4Å; A133-Y152 HydrophobicContact CB-CD1 3.8Å; A133-Y152 HydrophobicContact CB-CD2 4.06Å; A133-Y152 HydrophobicContact CB-CE1 4.35Å; A133-Y152 HydrophobicContact CB-CG 3.64Å
134Q98.3Very high97.2Very high86 Ų8631.4 Ų31.440%0.40218%0.178SC..G310 helixtrans-70.2-24.2-168.8-56.282.9-0.900113.8V130 D131 C132 F136 N137 N138V130-Q134 PolarHBondContact O-NE2 2.94Å; D131-Q134 PolarHBondContact O-NE2 2.84Å; D131-Q134 PolarHBondContact O-OE1 2.96Å; C132-Q134 VanDerWaalsContact C-N 3.34Å; C132-Q134 PolarHBondContact O-N 3.41Å; Q134-F136 PolarHBondContact O-N 3.14Å; Q134-F136 VanDerWaalsContact O-N 3.09Å; Q134-N137 PolarHBondContact O-N 3.2Å; Q134-N138 VanDerWaalsContact CA-O 3.26Å; Q134-N138 WeakPolarHBondContact CA-O 3.36Å
135A98.2Very high97.2Very high92 Ų9234.1 Ų34.176%0.7619%0.192SC*.G310 helixtrans-63.1-13.2173.300000113.6A133A133-A135 VanDerWaalsContact C-N 3.29Å; A133-A135 PolarHBondContact O-N 2.93Å
136F98.3Very high97.2Very high57 Ų5734.2 Ų34.225%0.2519%0.193CC..G310 helixtrans-106.924.8179.4-69.1-97.6000112.5A133 Q134 N138 Q148 E151 Y152 Y155A133-F136 PolarHBondContact O-N 2.9Å; A133-F136 VanDerWaalsContact O-N 3.11Å; Q134-F136 PolarHBondContact O-N 3.14Å; Q134-F136 VanDerWaalsContact O-N 3.09Å; F136-N138 VanDerWaalsContact C-N 3.26Å; F136-N138 PolarHBondContact O-N 3.4Å; F136-Q148 WeakPolarHBondContact O-CB 3.34Å; F136-Q148 WeakPolarHBondContact O-CG 3.2Å; F136-E151 HydrophobicContact CD1-CB 3.72Å; F136-E151 HydrophobicContact CE1-CB 3.91Å; F136-Y152 HydrophobicContact CD2-CD2 4.02Å; F136-Y152 HydrophobicContact CD2-CG 4.31Å; F136-Y152 HydrophobicContact CE2-CD2 4.12Å; F136-Y155 AromaticContact CE1-CD2 3.56Å; F136-Y155 HydrophobicContact CE1-CD2 3.56Å; F136-Y155 HydrophobicContact CE1-CE2 4.26Å; F136-Y155 HydrophobicContact CE1-CG 4.28Å; F136-Y155 AromaticContact CZ-CD2 3.73Å; F136-Y155 HydrophobicContact CZ-CD2 3.73Å; F136-Y155 AromaticContact CZ-CG 3.98Å; F136-Y155 HydrophobicContact CZ-CG 3.98Å
137N97.8Very high97.2Very high109 Ų10934.7 Ų34.758%0.58320%0.198SC*.THydrogen-bonded Turntrans63.725.1-177.3-58.8-41.2000114.7Q134 H139 Q148Q134-N137 PolarHBondContact O-N 3.2Å; N137-H139 PolarHBondContact O-CE1 3.23Å; N137-H139 PolarHBondContact O-ND1 3.3Å; N137-Q148 PolarHBondContact O-OE1 2.92Å
138N97.7Very high97.2Very high1 Ų137 Ų371%0.00521%0.209CC..  trans-89.4152.1165.3-59.5-65000110.2W102 A133 Q134 F136 G144 L145W102-N138 HydrophobicContact CH2-CB 3.46Å; W102-N138 VanDerWaalsContact CH2-CB 3.46Å; W102-N138 HydrophobicContact CZ2-CB 3.85Å; W102-N138 HydrophobicContact CZ3-CB 3.9Å; W102-N138 VanDerWaalsContact CZ3-CG 3.48Å; W102-N138 WeakPolarHBondContact CZ3-OD1 3.43Å; A133-N138 HydrophobicContact CB-CB 4.15Å; A133-N138 PolarHBondContact O-ND2 3.4Å; Q134-N138 VanDerWaalsContact CA-O 3.26Å; Q134-N138 WeakPolarHBondContact CA-O 3.36Å; F136-N138 VanDerWaalsContact C-N 3.26Å; F136-N138 PolarHBondContact O-N 3.4Å; N138-G144 VanDerWaalsContact OD1-CA 3.29Å; N138-G144 WeakPolarHBondContact OD1-CA 3.39Å; N138-L145 PolarHBondContact OD1-N 3.02Å
139H96.7Very high97.2Very high115 Ų11537 Ų3753%0.53221%0.209SC..  trans-128.131.1-171.1-53.493.4000112.1N137 C141 K142 G143N137-H139 PolarHBondContact O-CE1 3.23Å; N137-H139 PolarHBondContact O-ND1 3.3Å; H139-C141 PolarHBondContact O-N 2.88Å; H139-K142 HydrophobicContact CB-CB 3.81Å; H139-K142 VanDerWaalsContact O-CB 3.24Å; H139-K142 WeakPolarHBondContact O-CB 3.31Å; H139-K142 PolarHBondContact O-N 3.25Å; H139-G143 CarbonylContact C-O 3.57Å; H139-G143 WeakPolarHBondContact CA-O 3.45Å; H139-G143 WeakPolarHBondContact CB-O 3.36Å; H139-G143 PolarHBondContact N-O 3.06Å
140G95.1Very high97.2Very high0 Ų037 Ų370%021%0.209CC..G310 helixtrans59.1-123.7177.200000112.3W102 V130 K142 G143 D171W102-G140 PolarHBondContact NE1-O 2.81Å; V130-G140 WeakPolarHBondContact O-CA 3.35Å; G140-K142 PolarHBondContact O-N 3.1Å; G140-G143 PolarHBondContact O-N 3.5Å; G140-D171 WeakPolarHBondContact CA-OD1 3.36Å
141C93.8Very high97.3Very high18 Ų1839.8 Ų39.812%0.12222%0.222CC..G310 helixtrans-70.1-7.4175.9-70.70000114.3C98 G99 H139 G143 K170 D171C98-C141 HydrophobicContact CB-CB 3.9Å; C98-C141 WeakPolarHBondContact CB-SG 3.42Å; C98-C141 WeakPolarHBondContact SG-CA 3.22Å; C98-C141 WeakPolarHBondContact SG-CB 3.05Å; C98-C141 CovalentContact SG-SG 2.04Å; C98-C141 PolarHBondContact SG-SG 3.48Å; G99-C141 VanDerWaalsContact CA-O 3.24Å; G99-C141 WeakPolarHBondContact CA-O 3.07Å; G99-C141 PolarHBondContact N-O 3.06Å; H139-C141 PolarHBondContact O-N 2.88Å; C141-G143 VanDerWaalsContact C-N 3.3Å; C141-K170 VanDerWaalsContact SG-CA 3.5Å; C141-D171 PolarHBondContact N-OD1 2.76Å
142K90.9Very high97.3Very high105 Ų10539.9 Ų39.946%0.45722%0.222SC..G310 helixtrans-88.33175.6-61.3-174.6176.2-174.20113.6S92 H139 G140S92-K142 WeakPolarHBondContact CB-O 3.18Å; S92-K142 VanDerWaalsContact O-CD 3.31Å; S92-K142 WeakPolarHBondContact O-CD 3.11Å; S92-K142 WeakPolarHBondContact O-CG 3.28Å; H139-K142 HydrophobicContact CB-CB 3.81Å; H139-K142 VanDerWaalsContact O-CB 3.24Å; H139-K142 WeakPolarHBondContact O-CB 3.31Å; H139-K142 PolarHBondContact O-N 3.25Å; G140-K142 PolarHBondContact O-N 3.1Å
143G92.8Very high97.3Very high19 Ų1939.1 Ų39.120%0.19622%0.217CC..  trans107173.2179.400000113.4G99 H139 G140 C141G99-G143 WeakPolarHBondContact O-CA 3.46Å; G99-G143 PolarHBondContact O-N 3.08Å; H139-G143 CarbonylContact C-O 3.57Å; H139-G143 WeakPolarHBondContact CA-O 3.45Å; H139-G143 WeakPolarHBondContact CB-O 3.36Å; H139-G143 PolarHBondContact N-O 3.06Å; G140-G143 PolarHBondContact O-N 3.5Å; C141-G143 VanDerWaalsContact C-N 3.3Å
144G96.2Very high97.3Very high22 Ų2240.6 Ų40.623%0.22722%0.224CC..  trans177.1-179.3-174.800000109.3W102 N138W102-G144 VanDerWaalsContact CB-O 3.23Å; W102-G144 WeakPolarHBondContact CB-O 3.45Å; W102-G144 VanDerWaalsContact CD1-N 3.3Å; N138-G144 VanDerWaalsContact OD1-CA 3.29Å; N138-G144 WeakPolarHBondContact OD1-CA 3.39Å
145L98.1Very high97.3Very high56 Ų5643.5 Ų43.529%0.29323%0.232SC..  trans-125.3140.1-179.9-68.3174.7000111.1N138 S147 Q148 A149N138-L145 PolarHBondContact OD1-N 3.02Å; L145-S147 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 3Å; L145-Q148 HydrophobicContact CB-CB 4.28Å; L145-Q148 HydrophobicContact CB-CG 4.16Å; L145-Q148 PolarHBondContact O-N 3.11Å; L145-A149 PolarHBondContact O-N 3.25Å
146P98.7Very high97.3Very high2 Ų241.1 Ų41.11%0.01321%0.207CC..Hα-helixtrans-55.5-43.6177-28.136.2000113.8T106 Q148 A149 F150 A242T106-P146 WeakPolarHBondContact OG1-CA 3.14Å; P146-Q148 PolarHBondContact O-N 2.88Å; P146-A149 CarbonylContact O-C 3.59Å; P146-A149 WeakPolarHBondContact O-CA 3.46Å; P146-A149 WeakPolarHBondContact O-CB 3.43Å; P146-A149 PolarHBondContact O-N 3.38Å; P146-A149 VanDerWaalsContact O-N 3.08Å; P146-F150 HydrophobicContact CB-CE2 3.9Å; P146-F150 HydrophobicContact CB-CZ 4.27Å; P146-F150 WeakPolarHBondContact O-CD2 3.49Å; P146-F150 VanDerWaalsContact O-CG 3.27Å; P146-F150 WeakPolarHBondContact O-CG 3.27Å; P146-F150 PolarHBondContact O-N 3.3Å; P146-A242 HydrophobicContact CG-CB 4.18Å
147S98.7Very high97.3Very high25 Ų2544.8 Ų44.818%0.17522%0.223CC..Hα-helixtrans-57.3-45.7176.754.80000113L145 A149 F150 E151 N190 S289L145-S147 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 3Å; S147-A149 VanDerWaalsContact C-N 3.3Å; S147-A149 PolarHBondContact O-N 3.2Å; S147-F150 PolarHBondContact O-N 3.19Å; S147-E151 WeakPolarHBondContact O-CG 3.42Å; S147-E151 PolarHBondContact O-N 3.09Å; S147-E151 VanDerWaalsContact O-N 3.07Å; S147-N190 WeakPolarHBondContact CB-OD1 3.4Å; S147-S289 PolarHBondContact N-OG 3.37Å
148Q98.8Very high97.4Very high50 Ų5039.6 Ų39.623%0.23420%0.195CC..Hα-helixtrans-64.7-35.9176-70.9172.5-18.600112.2F136 N137 L145 P146 Y152F136-Q148 WeakPolarHBondContact O-CB 3.34Å; F136-Q148 WeakPolarHBondContact O-CG 3.2Å; N137-Q148 PolarHBondContact O-OE1 2.92Å; L145-Q148 HydrophobicContact CB-CB 4.28Å; L145-Q148 HydrophobicContact CB-CG 4.16Å; L145-Q148 PolarHBondContact O-N 3.11Å; P146-Q148 PolarHBondContact O-N 2.88Å; Q148-Y152 PolarHBondContact O-N 2.73Å
149A98.8Very high97.4Very high0 Ų039.6 Ų39.60%020%0.195CC..Hα-helixtrans-68.9-40.9176.100000112.1W102 T106 L129 L145 P146 S147 E151 Y152 I153W102-A149 HydrophobicContact CE3-CB 3.83Å; W102-A149 HydrophobicContact CZ3-CB 3.55Å; T106-A149 HydrophobicContact CG2-CB 3.54Å; T106-A149 VanDerWaalsContact OG1-CB 3.32Å; T106-A149 WeakPolarHBondContact OG1-CB 3.35Å; L129-A149 HydrophobicContact CD1-CB 4.41Å; L129-A149 HydrophobicContact CD2-CB 4.45Å; L145-A149 PolarHBondContact O-N 3.25Å; P146-A149 CarbonylContact O-C 3.59Å; P146-A149 WeakPolarHBondContact O-CA 3.46Å; P146-A149 WeakPolarHBondContact O-CB 3.43Å; P146-A149 PolarHBondContact O-N 3.38Å; P146-A149 VanDerWaalsContact O-N 3.08Å; S147-A149 VanDerWaalsContact C-N 3.3Å; S147-A149 PolarHBondContact O-N 3.2Å; A149-E151 VanDerWaalsContact C-N 3.33Å; A149-E151 PolarHBondContact O-N 3.36Å; A149-Y152 WeakPolarHBondContact O-CB 3.34Å; A149-Y152 PolarHBondContact O-N 3.16Å; A149-I153 WeakPolarHBondContact O-CG1 3.18Å; A149-I153 PolarHBondContact O-N 3.38Å
150F98.9Very high97.5Very high0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-62.2-41.6174.4-62-48.3000111.4T106 A109 P146 S147 I153 L154 V185 V188T106-F150 HydrophobicContact CG2-CD1 3.55Å; T106-F150 HydrophobicContact CG2-CE1 3.41Å; T106-F150 VanDerWaalsContact CG2-CE1 3.41Å; T106-F150 HydrophobicContact CG2-CG 4.39Å; T106-F150 HydrophobicContact CG2-CZ 4.15Å; T106-F150 WeakPolarHBondContact O-CE1 3.34Å; A109-F150 HydrophobicContact CB-CE1 4.15Å; A109-F150 HydrophobicContact CB-CZ 3.66Å; P146-F150 HydrophobicContact CB-CE2 3.9Å; P146-F150 HydrophobicContact CB-CZ 4.27Å; P146-F150 WeakPolarHBondContact O-CD2 3.49Å; P146-F150 VanDerWaalsContact O-CG 3.27Å; P146-F150 WeakPolarHBondContact O-CG 3.27Å; P146-F150 PolarHBondContact O-N 3.3Å; S147-F150 PolarHBondContact O-N 3.19Å; F150-I153 PolarHBondContact O-N 3.31Å; F150-L154 WeakPolarHBondContact O-CB 3.32Å; F150-L154 PolarHBondContact O-N 3.39Å; F150-V185 HydrophobicContact CB-CG1 4.4Å; F150-V185 HydrophobicContact CD1-CG2 4.38Å; F150-V188 HydrophobicContact CB-CB 4.38Å; F150-V188 HydrophobicContact CB-CG1 3.92Å; F150-V188 HydrophobicContact CB-CG2 3.6Å; F150-V188 HydrophobicContact CD2-CG1 4.17Å
151E98.9Very high97.7Very high58 Ų5836.7 Ų36.727%0.27118%0.182SC..Hα-helixtrans-60.8-45.2173.2-69.3-67.1-178.900111.3F136 S147 A149 I153 L154 Y155 V188F136-E151 HydrophobicContact CD1-CB 3.72Å; F136-E151 HydrophobicContact CE1-CB 3.91Å; S147-E151 WeakPolarHBondContact O-CG 3.42Å; S147-E151 PolarHBondContact O-N 3.09Å; S147-E151 VanDerWaalsContact O-N 3.07Å; A149-E151 VanDerWaalsContact C-N 3.33Å; A149-E151 PolarHBondContact O-N 3.36Å; E151-I153 VanDerWaalsContact C-N 3.33Å; E151-I153 PolarHBondContact O-N 3.46Å; E151-L154 WeakPolarHBondContact O-CB 3.41Å; E151-L154 PolarHBondContact O-N 2.92Å; E151-Y155 VanDerWaalsContact O-CD2 3.24Å; E151-Y155 WeakPolarHBondContact O-CD2 3.49Å; E151-Y155 PolarHBondContact O-N 3.5Å; E151-Y155 WeakPolarHBondContact OE2-CE2 3.32Å; E151-V188 HydrophobicContact CG-CG2 3.99Å
152Y98.9Very high97.7Very high7 Ų737.8 Ų37.83%0.02719%0.185CC..Hα-helixtrans-53.3-50.6172.3160.6-100.5000111.2Q128 L129 C132 A133 F136 Q148 A149 L154 Y155 N156Q128-Y152 HydrophobicContact CG-CE1 4.49Å; Q128-Y152 PolarHBondContact NE2-OH 3.09Å; L129-Y152 HydrophobicContact CD2-CD1 3.51Å; L129-Y152 HydrophobicContact CD2-CE1 3.69Å; C132-Y152 HydrophobicContact CB-CE2 4.04Å; C132-Y152 WeakPolarHBondContact CB-OH 3.45Å; C132-Y152 WeakPolarHBondContact O-CE2 3.47Å; A133-Y152 HydrophobicContact CB-CD1 3.8Å; A133-Y152 HydrophobicContact CB-CD2 4.06Å; A133-Y152 HydrophobicContact CB-CE1 4.35Å; A133-Y152 HydrophobicContact CB-CG 3.64Å; F136-Y152 HydrophobicContact CD2-CD2 4.02Å; F136-Y152 HydrophobicContact CD2-CG 4.31Å; F136-Y152 HydrophobicContact CE2-CD2 4.12Å; Q148-Y152 PolarHBondContact O-N 2.73Å; A149-Y152 WeakPolarHBondContact O-CB 3.34Å; A149-Y152 PolarHBondContact O-N 3.16Å; Y152-L154 VanDerWaalsContact C-N 3.31Å; Y152-L154 PolarHBondContact O-N 2.93Å; Y152-Y155 PolarHBondContact O-N 3.33Å; Y152-N156 HydrophobicContact CD2-CB 4.02Å; Y152-N156 HydrophobicContact CE1-CB 4.36Å; Y152-N156 HydrophobicContact CE2-CB 3.63Å; Y152-N156 WeakPolarHBondContact O-CA 3.44Å; Y152-N156 WeakPolarHBondContact O-CB 3.44Å; Y152-N156 PolarHBondContact O-N 2.8Å; Y152-N156 VanDerWaalsContact OH-CG 3.3Å; Y152-N156 PolarHBondContact OH-ND2 2.91Å; Y152-N156 PolarHBondContact OH-OD1 2.9Å
153I98.9Very high97.8Very high0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-61.8-40.2-178.8-61.7166.2000111.1T106 L110 L129 A149 F150 E151 K157 G158 I159 V185T106-I153 HydrophobicContact CG2-CD1 3.9Å; L110-I153 HydrophobicContact CD2-CD1 3.87Å; L110-I153 HydrophobicContact CD2-CG2 4.23Å; L129-I153 HydrophobicContact CD2-CD1 4.1Å; L129-I153 HydrophobicContact CD2-CG1 3.96Å; A149-I153 WeakPolarHBondContact O-CG1 3.18Å; A149-I153 PolarHBondContact O-N 3.38Å; F150-I153 PolarHBondContact O-N 3.31Å; E151-I153 VanDerWaalsContact C-N 3.33Å; E151-I153 PolarHBondContact O-N 3.46Å; I153-K157 PolarHBondContact O-N 2.88Å; I153-K157 VanDerWaalsContact O-N 3.16Å; I153-G158 PolarHBondContact O-N 2.78Å; I153-I159 HydrophobicContact CD1-CB 4.39Å; I153-I159 HydrophobicContact CD1-CD1 4.02Å; I153-I159 HydrophobicContact CD1-CG2 4.35Å; I153-I159 HydrophobicContact CG1-CB 4.25Å; I153-I159 HydrophobicContact CG1-CD1 4.41Å; I153-I159 HydrophobicContact CG2-CB 4.19Å; I153-I159 HydrophobicContact CG2-CG2 4.12Å; I153-V185 HydrophobicContact CB-CB 4.4Å; I153-V185 HydrophobicContact CB-CG2 3.82Å; I153-V185 HydrophobicContact CD1-CG2 4.42Å; I153-V185 HydrophobicContact CG2-CB 4.22Å; I153-V185 HydrophobicContact CG2-CG2 3.66Å
154L98.8Very high98.1Very high31 Ų3141.1 Ų41.116%0.16221%0.207CC..Hα-helixtrans-60.7-47.9178.1-177.7155.4000111.8F150 E151 Y152 K157 V185 K186 V188F150-L154 WeakPolarHBondContact O-CB 3.32Å; F150-L154 PolarHBondContact O-N 3.39Å; E151-L154 WeakPolarHBondContact O-CB 3.41Å; E151-L154 PolarHBondContact O-N 2.92Å; Y152-L154 VanDerWaalsContact C-N 3.31Å; Y152-L154 PolarHBondContact O-N 2.93Å; L154-K157 PolarHBondContact O-NZ 2.86Å; L154-K157 VanDerWaalsContact O-NZ 3.14Å; L154-V185 HydrophobicContact CB-CB 4.04Å; L154-V185 HydrophobicContact CB-CG1 4.03Å; L154-V185 HydrophobicContact CD1-CG1 4.21Å; L154-K186 WeakPolarHBondContact CD1-O 3.22Å; L154-V188 HydrophobicContact CD1-CG2 4.42Å
155Y98.8Very high98.1Very high146 Ų14640.2 Ų40.257%0.57320%0.197SC*.Hα-helixtrans-80.6-33.6-178.1-75.4-73.1000112.9F136 E151 Y152 K157F136-Y155 AromaticContact CE1-CD2 3.56Å; F136-Y155 HydrophobicContact CE1-CD2 3.56Å; F136-Y155 HydrophobicContact CE1-CE2 4.26Å; F136-Y155 HydrophobicContact CE1-CG 4.28Å; F136-Y155 AromaticContact CZ-CD2 3.73Å; F136-Y155 HydrophobicContact CZ-CD2 3.73Å; F136-Y155 AromaticContact CZ-CG 3.98Å; F136-Y155 HydrophobicContact CZ-CG 3.98Å; E151-Y155 VanDerWaalsContact O-CD2 3.24Å; E151-Y155 WeakPolarHBondContact O-CD2 3.49Å; E151-Y155 PolarHBondContact O-N 3.5Å; E151-Y155 WeakPolarHBondContact OE2-CE2 3.32Å; Y152-Y155 PolarHBondContact O-N 3.33Å; Y155-K157 PolarHBondContact O-N 3.41Å
156N98.6Very high98.1Very high42 Ų4240.8 Ų40.823%0.22520%0.204CC..Hα-helixtrans-69.5-12.3175-172.773.7000113Q128 Y152 G158 F176Q128-N156 PolarHBondContact NE2-ND2 3.07Å; Y152-N156 HydrophobicContact CD2-CB 4.02Å; Y152-N156 HydrophobicContact CE1-CB 4.36Å; Y152-N156 HydrophobicContact CE2-CB 3.63Å; Y152-N156 WeakPolarHBondContact O-CA 3.44Å; Y152-N156 WeakPolarHBondContact O-CB 3.44Å; Y152-N156 PolarHBondContact O-N 2.8Å; Y152-N156 VanDerWaalsContact OH-CG 3.3Å; Y152-N156 PolarHBondContact OH-ND2 2.91Å; Y152-N156 PolarHBondContact OH-OD1 2.9Å; N156-G158 PolarHBondContact ND2-O 3.4Å; N156-F176 WeakPolarHBondContact ND2-CD1 3.31Å; N156-F176 WeakPolarHBondContact ND2-CE1 3.32Å; N156-F176 VanDerWaalsContact ND2-CE2 3.32Å; N156-F176 WeakPolarHBondContact ND2-CE2 3.31Å; N156-F176 WeakPolarHBondContact ND2-CZ 3.34Å; N156-F176 WeakPolarHBondContact OD1-CD1 3.39Å
157K98.6Very high97.8Very high135 Ų13544.1 Ų44.159%0.58722%0.217SC*.THydrogen-bonded Turntrans62.747.1-175.8-50.4-58.4169.9-158.70112.1I153 L154 Y155 F184I153-K157 PolarHBondContact O-N 2.88Å; I153-K157 VanDerWaalsContact O-N 3.16Å; L154-K157 PolarHBondContact O-NZ 2.86Å; L154-K157 VanDerWaalsContact O-NZ 3.14Å; Y155-K157 PolarHBondContact O-N 3.41Å; K157-F184 WeakPolarHBondContact O-CD1 3.34Å; K157-F184 WeakPolarHBondContact O-CE1 3.06Å
158G98.6Very high97.6Very high0 Ų046.5 Ų46.50%023%0.227CC..  trans114.6178.1164.100000115.3Q128 I153 N156 A183Q128-G158 PolarHBondContact NE2-O 2.93Å; I153-G158 PolarHBondContact O-N 2.78Å; N156-G158 PolarHBondContact ND2-O 3.4Å; G158-A183 CarbonylContact C-O 3.5Å; G158-A183 WeakPolarHBondContact CA-O 3.48Å
159I98.9Very high97.1Very high0 Ų045.2 Ų45.20%023%0.227CC..EExtended strand (participates in β ladder)trans-132.6143.8-177.8-172.9169.7000110T107 L110 L124 L129 I153 A181 V182 A183T107-I159 HydrophobicContact CG2-CD1 4.19Å; L110-I159 HydrophobicContact CD2-CG2 3.81Å; L124-I159 HydrophobicContact CB-CD1 4.33Å; L124-I159 HydrophobicContact CD1-CG2 3.94Å; L124-I159 HydrophobicContact CD2-CG2 4.18Å; L124-I159 HydrophobicContact CG-CG2 4.45Å; L129-I159 HydrophobicContact CD1-CD1 4.22Å; L129-I159 HydrophobicContact CD2-CD1 4.03Å; L129-I159 HydrophobicContact CG-CD1 3.94Å; I153-I159 HydrophobicContact CD1-CB 4.39Å; I153-I159 HydrophobicContact CD1-CD1 4.02Å; I153-I159 HydrophobicContact CD1-CG2 4.35Å; I153-I159 HydrophobicContact CG1-CB 4.25Å; I153-I159 HydrophobicContact CG1-CD1 4.41Å; I153-I159 HydrophobicContact CG2-CB 4.19Å; I153-I159 HydrophobicContact CG2-CG2 4.12Å; I159-A181 WeakPolarHBondContact O-CA 3.39Å; I159-V182 PolarHBondContact O-N 3.24Å; I159-A183 HydrophobicContact CG2-CB 3.89Å; I159-A183 PolarHBondContact N-O 3.28Å; I159-A183 PolarHBondContact O-N 3.44Å
160M98.8Very high96.8Very high4 Ų451.4 Ų51.42%0.0225%0.254CS..EExtended strand (participates in β ladder)trans-81.2163.4179.5-64.2171.758.300111.6A125 Y165 F176 N177 K180A125-M160 WeakPolarHBondContact CB-O 3.41Å; A125-M160 PolarHBondContact N-O 2.64Å; M160-Y165 HydrophobicContact CE-CD2 4.21Å; M160-Y165 HydrophobicContact SD-CD2 3.87Å; M160-F176 HydrophobicContact CG-CD2 4.05Å; M160-F176 HydrophobicContact CG-CE2 4.21Å; M160-F176 HydrophobicContact SD-CD2 3.9Å; M160-N177 HydrophobicContact CE-CB 4.4Å; M160-N177 HydrophobicContact SD-CB 4.21Å; M160-N177 PolarHBondContact SD-N 3.36Å; M160-K180 HydrophobicContact CE-CB 3.75Å; M160-K180 HydrophobicContact CE-CD 3.76Å; M160-K180 HydrophobicContact CE-CG 4.39Å; M160-K180 HydrophobicContact CG-CB 4.04Å; M160-K180 HydrophobicContact SD-CB 4.28Å
161E97.6Very high96.6Very high50 Ų5055.5 Ų55.523%0.23428%0.276CS..BIsolated β-bridgetrans-78.3154.2169.6-65.9-178.3158.500111.8K120 L122 S123 D163 S164 Y165 V182K120-E161 IonicContact NZ-OE1 3.82Å; L122-E161 WeakPolarHBondContact CD2-OE1 3.46Å; S123-E161 CarbonylContact O-C 3.52Å; S123-E161 VanDerWaalsContact O-CA 3.23Å; S123-E161 WeakPolarHBondContact O-CA 3.4Å; S123-E161 WeakPolarHBondContact O-CB 3.06Å; E161-D163 VanDerWaalsContact C-N 3.26Å; E161-D163 PolarHBondContact O-N 3.19Å; E161-S164 PolarHBondContact O-N 2.92Å; E161-Y165 PolarHBondContact O-N 2.68Å; E161-V182 HydrophobicContact CB-CG2 4.45Å; E161-V182 HydrophobicContact CG-CB 4.05Å; E161-V182 HydrophobicContact CG-CG1 3.78Å; E161-V182 HydrophobicContact CG-CG2 3.29Å
162E94.9Very high96.5Very high41 Ų4155.4 Ų55.419%0.19228%0.282CS..G310 helixtrans-52.5-43175.9176.858.3-164.100111.8S123 S164 Y165 P166 Y167S123-E162 PolarHBondContact O-N 2.99Å; E162-S164 PolarHBondContact O-N 3.42Å; E162-S164 VanDerWaalsContact O-N 3.14Å; E162-Y165 CarbonylContact O-C 3.5Å; E162-Y165 PolarHBondContact O-N 2.85Å; E162-Y165 VanDerWaalsContact O-N 3.09Å; E162-P166 VanDerWaalsContact O-CA 3.27Å; E162-P166 WeakPolarHBondContact O-CA 3.49Å; E162-P166 WeakPolarHBondContact O-CD 3.03Å; E162-P166 WeakPolarHBondContact O-CG 3.48Å; E162-P166 WeakPolarHBondContact OE1-CA 3.04Å; E162-Y167 PolarHBondContact OE1-N 2.62Å; E162-Y167 PolarHBondContact OE2-N 3.34Å
163D93.8Very high96.4Very high146 Ų14659.6 Ų59.678%0.78131%0.312SS*.G310 helixtrans-59.6-29.2178.2-72.8-8.6000113.4E161E161-D163 VanDerWaalsContact C-N 3.26Å; E161-D163 PolarHBondContact O-N 3.19Å
164S97.2Very high96.4Very high49 Ų4962.9 Ų62.934%0.34333%0.334SS..G310 helixtrans-93.3-18.2178.8-77.70000113.7E161 E162E161-S164 PolarHBondContact O-N 2.92Å; E162-S164 PolarHBondContact O-N 3.42Å; E162-S164 VanDerWaalsContact O-N 3.14Å
165Y97.9Very high96.4Very high3 Ų366.7 Ų66.71%0.01235%0.347CS..SBendtrans-146.675.5179-160.5-35.9000110.2A125 Q127 Q128 D131 M160 E161 E162 S173 R175A125-Y165 HydrophobicContact CB-CG 4.33Å; A125-Y165 WeakPolarHBondContact CB-O 3.32Å; Q127-Y165 HydrophobicContact CB-CD1 3.72Å; Q127-Y165 HydrophobicContact CB-CE1 3.77Å; Q127-Y165 HydrophobicContact CG-CD1 3.91Å; Q127-Y165 HydrophobicContact CG-CE1 3.52Å; Q128-Y165 HydrophobicContact CB-CD2 3.9Å; Q128-Y165 HydrophobicContact CB-CE2 3.97Å; Q128-Y165 HydrophobicContact CB-CG 4.38Å; Q128-Y165 HydrophobicContact CG-CD2 4.31Å; Q128-Y165 HydrophobicContact CG-CE2 4.17Å; D131-Y165 WeakPolarHBondContact CB-OH 3.49Å; D131-Y165 WeakPolarHBondContact OD2-CE1 3.12Å; D131-Y165 PolarHBondContact OD2-OH 3.18Å; M160-Y165 HydrophobicContact CE-CD2 4.21Å; M160-Y165 HydrophobicContact SD-CD2 3.87Å; E161-Y165 PolarHBondContact O-N 2.68Å; E162-Y165 CarbonylContact O-C 3.5Å; E162-Y165 PolarHBondContact O-N 2.85Å; E162-Y165 VanDerWaalsContact O-N 3.09Å; Y165-S173 PolarHBondContact OH-O 3.45Å; Y165-R175 HydrophobicContact CD2-CB 4.44Å; Y165-R175 HydrophobicContact CE2-CB 3.73Å; Y165-R175 PolarHBondContact OH-N 2.9Å; Y165-R175 PolarHBondContact OH-NH1 3.46Å
166P96.3Very high96.4Very high68 Ų6861.8 Ų61.844%0.44233%0.328SS..  trans-65.9148-170.7-24.134.7000114.3E162E162-P166 VanDerWaalsContact O-CA 3.27Å; E162-P166 WeakPolarHBondContact O-CA 3.49Å; E162-P166 WeakPolarHBondContact O-CD 3.03Å; E162-P166 WeakPolarHBondContact O-CG 3.48Å; E162-P166 WeakPolarHBondContact OE1-CA 3.04Å
167Y94.2Very high96.4Very high71 Ų7162.6 Ų62.628%0.27833%0.332SS..  trans-70127.5174-170.5-104.7000112.6S100 F104 E126 Q127 V130 E162 G169S100-Y167 PolarHBondContact OG-OH 2.86Å; F104-Y167 HydrophobicContact CE2-CE1 4.3Å; F104-Y167 AromaticContact CE2-CE2 3.97Å; F104-Y167 HydrophobicContact CE2-CE2 3.97Å; F104-Y167 AromaticContact CE2-CZ 3.79Å; F104-Y167 HydrophobicContact CZ-CD1 4.21Å; F104-Y167 HydrophobicContact CZ-CD2 4.28Å; F104-Y167 AromaticContact CZ-CE1 3.99Å; F104-Y167 HydrophobicContact CZ-CE1 3.99Å; F104-Y167 HydrophobicContact CZ-CE2 4.06Å; F104-Y167 HydrophobicContact CZ-CG 4.34Å; F104-Y167 AromaticContact CZ-CZ 3.9Å; E126-Y167 HydrophobicContact CB-CD2 3.85Å; E126-Y167 HydrophobicContact CB-CE2 4.24Å; Q127-Y167 HydrophobicContact CB-CD2 4.31Å; V130-Y167 HydrophobicContact CG2-CE2 4.41Å; E162-Y167 PolarHBondContact OE1-N 2.62Å; E162-Y167 PolarHBondContact OE2-N 3.34Å; Y167-G169 VanDerWaalsContact CZ-CA 3.47Å
168I93.3Very high96.3Very high75 Ų7560.6 Ų60.639%0.38533%0.334SS..  trans-120.2-3.7-179.761.8167.6000113Q127 K170Q127-I168 VanDerWaalsContact CD-CG1 3.41Å; Q127-I168 HydrophobicContact CG-CG1 4.11Å; I168-K170 VanDerWaalsContact C-N 3.31Å; I168-K170 HydrophobicContact CD1-CD 4.46Å; I168-K170 HydrophobicContact CD1-CG 3.78Å; I168-K170 HydrophobicContact CG1-CG 3.96Å; I168-K170 PolarHBondContact O-N 2.91Å
169G89.1Confident96.3Very high24 Ų2469.3 Ų69.325%0.24737%0.374CS..SBendtrans63.932.3173.300000114.7C98 Y167C98-G169 WeakPolarHBondContact CB-O 3.2Å; Y167-G169 VanDerWaalsContact CZ-CA 3.47Å
170K92.8Very high96.3Very high130 Ų13074 Ų7457%0.56540%0.395SS*.SBendtrans-158.4157.4174.761.5-177.9179.5-179.40110.1Q127 C141 I168Q127-K170 PolarHBondContact NE2-O 3.43Å; C141-K170 VanDerWaalsContact SG-CA 3.5Å; I168-K170 VanDerWaalsContact C-N 3.31Å; I168-K170 HydrophobicContact CD1-CD 4.46Å; I168-K170 HydrophobicContact CD1-CG 3.78Å; I168-K170 HydrophobicContact CG1-CG 3.96Å; I168-K170 PolarHBondContact O-N 2.91Å
171D94.1Very high96.3Very high86 Ų8674.7 Ų74.746%0.4640%0.4SS..  trans-63.1139.6173.2-54.5-70.7000111.2G140 C141G140-D171 WeakPolarHBondContact CA-OD1 3.36Å; C141-D171 PolarHBondContact N-OD1 2.76Å
172S95.8Very high96.3Very high55 Ų5574.7 Ų74.739%0.38540%0.404SS..  trans-146.6178.1174.5-1610000111.4D131D131-S172 PolarHBondContact OD1-N 3.44Å
173S97.8Very high96.5Very high95 Ų9572.9 Ų72.966%0.66440%0.396SS*.  trans-69.4139.2174.9-56.80000110.3Y165 R175Y165-S173 PolarHBondContact OH-O 3.45Å; S173-R175 WeakPolarHBondContact O-CG 3.48Å; S173-R175 PolarHBondContact O-N 3.39Å; S173-R175 PolarHBondContact O-NH1 3.34Å
174C98.6Very high96.7Very high69 Ų6971.9 Ų71.947%0.46639%0.385SS..  trans-59126.8174.7-177.70000111.9C132C132-C174 HydrophobicContact CB-CB 3.94Å; C132-C174 WeakPolarHBondContact CB-SG 3.25Å; C132-C174 WeakPolarHBondContact SG-CA 3.32Å; C132-C174 WeakPolarHBondContact SG-CB 3.37Å; C132-C174 CovalentContact SG-SG 2.04Å; C132-C174 PolarHBondContact SG-SG 2.96Å
175R98.3Very high96.8Very high112 Ų11270.4 Ų70.442%0.42337%0.374SS..  trans-119.824.5179.6-59.6179.7-59.4-7111.2112.6D131 Y165 S173 N177D131-R175 IonicContact OD2-CZ 3.67Å; D131-R175 IonicContact OD2-NH1 3.78Å; D131-R175 PolarHBondContact OD2-NH1 2.6Å; D131-R175 IonicContact OD2-NH2 3.68Å; Y165-R175 HydrophobicContact CD2-CB 4.44Å; Y165-R175 HydrophobicContact CE2-CB 3.73Å; Y165-R175 PolarHBondContact OH-N 2.9Å; Y165-R175 PolarHBondContact OH-NH1 3.46Å; S173-R175 WeakPolarHBondContact O-CG 3.48Å; S173-R175 PolarHBondContact O-N 3.39Å; S173-R175 PolarHBondContact O-NH1 3.34Å; R175-N177 PolarHBondContact O-N 3.45Å
176F98.7Very high96.8Very high43 Ų4379 Ų7919%0.18941%0.411CS..  trans-58.9131.8-178.8174.7-118.1000111.1Q128 N156 M160 P178 A181Q128-F176 HydrophobicContact CG-CD2 4.42Å; Q128-F176 VanDerWaalsContact NE2-CD2 3.31Å; N156-F176 WeakPolarHBondContact ND2-CD1 3.31Å; N156-F176 WeakPolarHBondContact ND2-CE1 3.32Å; N156-F176 VanDerWaalsContact ND2-CE2 3.32Å; N156-F176 WeakPolarHBondContact ND2-CE2 3.31Å; N156-F176 WeakPolarHBondContact ND2-CZ 3.34Å; N156-F176 WeakPolarHBondContact OD1-CD1 3.39Å; M160-F176 HydrophobicContact CG-CD2 4.05Å; M160-F176 HydrophobicContact CG-CE2 4.21Å; M160-F176 HydrophobicContact SD-CD2 3.9Å; F176-P178 HydrophobicContact CD1-CG 4.32Å; F176-P178 HydrophobicContact CE1-CB 4.25Å; F176-P178 HydrophobicContact CE1-CG 3.75Å; F176-P178 HydrophobicContact CZ-CB 4.31Å; F176-P178 HydrophobicContact CZ-CG 4.28Å; F176-A181 HydrophobicContact CE2-CB 4.22Å; F176-A181 HydrophobicContact CZ-CB 4.41Å
177N98.5Very high96.8Very high58 Ų5881.5 Ų81.531%0.3142%0.421SS..  trans-121.5112.6173.3-178.5-16.3000109.1M160 R175 Q179 K180M160-N177 HydrophobicContact CE-CB 4.4Å; M160-N177 HydrophobicContact SD-CB 4.21Å; M160-N177 PolarHBondContact SD-N 3.36Å; R175-N177 PolarHBondContact O-N 3.45Å; N177-Q179 PolarHBondContact O-N 3.36Å; N177-Q179 VanDerWaalsContact O-N 3.12Å; N177-Q179 WeakPolarHBondContact OD1-CB 3.39Å; N177-Q179 PolarHBondContact OD1-N 2.97Å; N177-K180 HydrophobicContact CB-CB 4.31Å; N177-K180 HydrophobicContact CB-CD 4.4Å; N177-K180 HydrophobicContact CB-CG 4.29Å; N177-K180 PolarHBondContact O-N 3.3Å
178P98.1Very high97.1Very high94 Ų9479.3 Ų79.361%0.6142%0.415SS*.G310 helixtrans-55.6-31.2-179.5-25.933000114.4F176 K180 A181F176-P178 HydrophobicContact CD1-CG 4.32Å; F176-P178 HydrophobicContact CE1-CB 4.25Å; F176-P178 HydrophobicContact CE1-CG 3.75Å; F176-P178 HydrophobicContact CZ-CB 4.31Å; F176-P178 HydrophobicContact CZ-CG 4.28Å; P178-K180 PolarHBondContact O-N 2.91Å; P178-A181 PolarHBondContact O-N 3.45Å
179Q98.2Very high97.3Very high182 Ų18278.4 Ų78.485%0.8541%0.413SS*.G310 helixtrans-73.3-11.9179.5-62.1-173.2-11.100113.5N177N177-Q179 PolarHBondContact O-N 3.36Å; N177-Q179 VanDerWaalsContact O-N 3.12Å; N177-Q179 WeakPolarHBondContact OD1-CB 3.39Å; N177-Q179 PolarHBondContact OD1-N 2.97Å
180K98.3Very high97.8Very high100 Ų10082 Ų8244%0.43543%0.426SS..G310 helixtrans-108.25.9179.1-66.1-169.9170.8-165.80113M160 N177 P178M160-K180 HydrophobicContact CE-CB 3.75Å; M160-K180 HydrophobicContact CE-CD 3.76Å; M160-K180 HydrophobicContact CE-CG 4.39Å; M160-K180 HydrophobicContact CG-CB 4.04Å; M160-K180 HydrophobicContact SD-CB 4.28Å; N177-K180 HydrophobicContact CB-CB 4.31Å; N177-K180 HydrophobicContact CB-CD 4.4Å; N177-K180 HydrophobicContact CB-CG 4.29Å; N177-K180 PolarHBondContact O-N 3.3Å; P178-K180 PolarHBondContact O-N 2.91Å
181A98.5Very high98Very high17 Ų1776.8 Ų76.814%0.1440%0.404CS..EExtended strand (participates in β ladder)trans-69.6132.6174.500000110.3I159 F176 P178 F184I159-A181 WeakPolarHBondContact O-CA 3.39Å; F176-A181 HydrophobicContact CE2-CB 4.22Å; F176-A181 HydrophobicContact CZ-CB 4.41Å; P178-A181 PolarHBondContact O-N 3.45Å; A181-F184 HydrophobicContact CB-CE1 4.02Å; A181-F184 HydrophobicContact CB-CZ 4.13Å
182V98.3Very high98.3Very high50 Ų5077.5 Ų77.530%0.30341%0.412SS..EExtended strand (participates in β ladder)trans-120.5-20.4-175.3-61.90000114.2L122 L124 I159 E161L122-V182 HydrophobicContact CD1-CG2 4.04Å; L124-V182 HydrophobicContact CD2-CG2 3.67Å; I159-V182 PolarHBondContact O-N 3.24Å; E161-V182 HydrophobicContact CB-CG2 4.45Å; E161-V182 HydrophobicContact CG-CB 4.05Å; E161-V182 HydrophobicContact CG-CG1 3.78Å; E161-V182 HydrophobicContact CG-CG2 3.29Å
183A98.2Very high98.4Very high3 Ų379.4 Ų79.43%0.02542%0.417CS..EExtended strand (participates in β ladder)trans-133.3146.3-178.300000109.9L110 V114 L122 L124 G158 I159L110-A183 HydrophobicContact CD2-CB 4.12Å; L110-A183 HydrophobicContact CG-CB 4.34Å; V114-A183 HydrophobicContact CG2-CB 4.2Å; L122-A183 HydrophobicContact CD1-CB 4.01Å; L124-A183 HydrophobicContact CD1-CB 3.91Å; L124-A183 HydrophobicContact CD2-CB 3.74Å; G158-A183 CarbonylContact C-O 3.5Å; G158-A183 WeakPolarHBondContact CA-O 3.48Å; I159-A183 HydrophobicContact CG2-CB 3.89Å; I159-A183 PolarHBondContact N-O 3.28Å; I159-A183 PolarHBondContact O-N 3.44Å
184F98.6Very high98.4Very high126 Ų12678.7 Ų78.755%0.55341%0.406SS*.  trans-139.5139.5-169.4-52.5-89.3000109.7K157 A181K157-F184 WeakPolarHBondContact O-CD1 3.34Å; K157-F184 WeakPolarHBondContact O-CE1 3.06Å; A181-F184 HydrophobicContact CB-CE1 4.02Å; A181-F184 HydrophobicContact CB-CZ 4.13Å
185V98.8Very high98.4Very high18 Ų1878.2 Ų78.211%0.10940%0.399CS..  trans-95.9129.6174.3174.80000108.6L110 F150 I153 L154 N187 V188L110-V185 HydrophobicContact CD1-CG2 4.02Å; L110-V185 HydrophobicContact CD2-CG2 4Å; F150-V185 HydrophobicContact CB-CG1 4.4Å; F150-V185 HydrophobicContact CD1-CG2 4.38Å; I153-V185 HydrophobicContact CB-CB 4.4Å; I153-V185 HydrophobicContact CB-CG2 3.82Å; I153-V185 HydrophobicContact CD1-CG2 4.42Å; I153-V185 HydrophobicContact CG2-CB 4.22Å; I153-V185 HydrophobicContact CG2-CG2 3.66Å; L154-V185 HydrophobicContact CB-CB 4.04Å; L154-V185 HydrophobicContact CB-CG1 4.03Å; L154-V185 HydrophobicContact CD1-CG1 4.21Å; V185-N187 WeakPolarHBondContact CG1-O 3.01Å; V185-V188 HydrophobicContact CG1-CG2 4Å
186K98.1Very high98.4Very high183 Ų18373.8 Ų73.880%0.79638%0.383SS*.SBendtrans-93-44.1177.5-174.5178.1179.4-178.20112.2L154L154-K186 WeakPolarHBondContact CD1-O 3.22Å
187N97.7Very high98.4Very high120 Ų12075 Ų7564%0.64240%0.401SS*.  trans-144.6155.2179.1-68.6-36.2000108.2V185V185-N187 WeakPolarHBondContact CG1-O 3.01Å
188V98.7Very high98.5Very high26 Ų2673.5 Ų73.516%0.15840%0.396CS..  trans-112.2129.1172.3-174.30000108.4F150 E151 L154 V185F150-V188 HydrophobicContact CB-CB 4.38Å; F150-V188 HydrophobicContact CB-CG1 3.92Å; F150-V188 HydrophobicContact CB-CG2 3.6Å; F150-V188 HydrophobicContact CD2-CG1 4.17Å; E151-V188 HydrophobicContact CG-CG2 3.99Å; L154-V188 HydrophobicContact CD1-CG2 4.42Å; V185-V188 HydrophobicContact CG1-CG2 4Å
189V98.6Very high98.5Very high55 Ų5569 Ų6933%0.33337%0.367SS..  trans-105.6111.8176.2-176.60000109.1S289 Y290V189-S289 CarbonylContact O-C 3.56Å; V189-S289 WeakPolarHBondContact O-CA 3.21Å; V189-S289 VanDerWaalsContact O-CB 3.28Å; V189-S289 WeakPolarHBondContact O-CB 3.23Å; V189-Y290 HydrophobicContact CB-CD1 4.08Å; V189-Y290 HydrophobicContact CB-CD2 4.33Å; V189-Y290 HydrophobicContact CB-CE1 3.73Å; V189-Y290 HydrophobicContact CB-CE2 4.04Å; V189-Y290 HydrophobicContact CB-CG 4.38Å; V189-Y290 HydrophobicContact CG1-CD1 4.29Å; V189-Y290 HydrophobicContact CG1-CE1 3.56Å; V189-Y290 HydrophobicContact CG2-CD2 4.43Å; V189-Y290 HydrophobicContact CG2-CE1 4.4Å; V189-Y290 HydrophobicContact CG2-CE2 3.9Å; V189-Y290 PolarHBondContact N-O 3.47Å; V189-Y290 PolarHBondContact O-N 3.25Å; V189-Y290 VanDerWaalsContact O-N 3.11Å
190N98.7Very high98.5Very high100 Ų10062 Ų6254%0.53534%0.337SS..BIsolated β-bridgetrans-94.6116.7172-63.5-34.2000109S147S147-N190 WeakPolarHBondContact CB-OD1 3.4Å
191I98.6Very high98.5Very high21 Ų2162.5 Ų62.511%0.10834%0.341CS..PPolyproline II helixtrans-73.6137.7174.8-65.2174.8000108.6D195 A198 M199 A202 V209 A288 Y290I191-D195 HydrophobicContact CG2-CB 4.03Å; I191-D195 WeakPolarHBondContact CG2-O 3.5Å; I191-A198 HydrophobicContact CG2-CB 3.76Å; I191-M199 HydrophobicContact CD1-CB 4.33Å; I191-M199 HydrophobicContact CD1-CG 3.77Å; I191-M199 HydrophobicContact CG2-CG 4.24Å; I191-A202 HydrophobicContact CD1-CB 4.21Å; I191-V209 HydrophobicContact CD1-CG1 3.94Å; I191-A288 HydrophobicContact CB-CB 4.14Å; I191-A288 WeakPolarHBondContact CB-O 3.46Å; I191-A288 HydrophobicContact CD1-CB 4.04Å; I191-A288 PolarHBondContact N-O 3.29Å; I191-Y290 HydrophobicContact CD1-CD1 4.47Å; I191-Y290 HydrophobicContact CD1-CE1 4.4Å
192T98.7Very high98.6Very high100 Ų10061.9 Ų61.961%0.61334%0.336SS*.PPolyproline II helixtrans-55.1140-180-57.20000110.7N194 D195T192-N194 PolarHBondContact O-N 2.8Å; T192-D195 WeakPolarHBondContact O-CB 3.48Å; T192-D195 PolarHBondContact O-N 2.8Å
193L98.4Very high98.6Very high96 Ų9660.5 Ų60.550%0.50333%0.327SS..THydrogen-bonded Turntrans-48.1125178.3172.865000111.5D195 P236 A286L193-D195 PolarHBondContact O-N 3.31Å; L193-P236 HydrophobicContact CD1-CG 3.6Å; L193-A286 HydrophobicContact CD1-CB 4.37Å; L193-A286 WeakPolarHBondContact CD1-O 3.28Å
194N98.4Very high98.6Very high79 Ų7963 Ų6342%0.42235%0.348SS..THydrogen-bonded Turntrans66.110.5-179-56.4-38.4000115.8T192 E196 N280 A285T192-N194 PolarHBondContact O-N 2.8Å; N194-E196 VanDerWaalsContact C-N 3.27Å; N194-E196 PolarHBondContact O-N 3.12Å; N194-N280 PolarHBondContact OD1-ND2 3.24Å; N194-A285 VanDerWaalsContact CA-O 3.25Å; N194-A285 WeakPolarHBondContact CA-O 3.24Å; N194-A285 PolarHBondContact N-O 3.02Å
195D98.7Very high98.6Very high60 Ų6062.3 Ų62.332%0.32135%0.349SS..  trans-82.371.2177-164.6-11000111.6I191 T192 L193 A197 A198 M199I191-D195 HydrophobicContact CG2-CB 4.03Å; I191-D195 WeakPolarHBondContact CG2-O 3.5Å; T192-D195 WeakPolarHBondContact O-CB 3.48Å; T192-D195 PolarHBondContact O-N 2.8Å; L193-D195 PolarHBondContact O-N 3.31Å; D195-A197 PolarHBondContact O-N 3.42Å; D195-A197 PolarHBondContact OD1-N 2.92Å; D195-A198 HydrophobicContact CB-CB 4.12Å; D195-A198 PolarHBondContact O-N 3.06Å; D195-A198 WeakPolarHBondContact OD1-CB 3.33Å; D195-A198 PolarHBondContact OD1-N 3.27Å; D195-A198 WeakPolarHBondContact OD2-CB 3.43Å; D195-M199 PolarHBondContact O-N 2.86Å
196E98.8Very high98.6Very high18 Ų1867.3 Ų67.38%0.08437%0.367CS..Hα-helixtrans-64.4-22.5177.5-164.9175.3177.800112N194 M199 V200 W257 R277 G278 K279 N280 L284 A285N194-E196 VanDerWaalsContact C-N 3.27Å; N194-E196 PolarHBondContact O-N 3.12Å; E196-M199 HydrophobicContact CG-SD 4.39Å; E196-M199 WeakPolarHBondContact O-CB 3.5Å; E196-M199 PolarHBondContact O-N 3.08Å; E196-V200 PolarHBondContact O-N 3.16Å; E196-W257 HydrophobicContact CG-CZ2 4.01Å; E196-W257 PolarHBondContact OE1-NE1 3.48Å; E196-R277 WeakPolarHBondContact OE1-CA 3.35Å; E196-G278 PolarHBondContact OE1-N 2.8Å; E196-G278 VanDerWaalsContact OE2-CA 3.31Å; E196-G278 WeakPolarHBondContact OE2-CA 3.41Å; E196-G278 PolarHBondContact OE2-N 3.28Å; E196-K279 PolarHBondContact OE2-N 3.33Å; E196-N280 PolarHBondContact OE2-N 3.17Å; E196-L284 HydrophobicContact CG-CD1 3.98Å; E196-A285 HydrophobicContact CB-CB 3.84Å; E196-A285 HydrophobicContact CG-CB 4.37Å
197A98.7Very high98.6Very high70 Ų7059.5 Ų59.558%0.57933%0.334SS*.Hα-helixtrans-70.9-42.4176.200000111.3D195 M199 V200 E201D195-A197 PolarHBondContact O-N 3.42Å; D195-A197 PolarHBondContact OD1-N 2.92Å; A197-M199 PolarHBondContact O-N 3.31Å; A197-V200 WeakPolarHBondContact O-CA 3.31Å; A197-V200 WeakPolarHBondContact O-CB 3.07Å; A197-V200 PolarHBondContact O-N 3.09Å; A197-E201 PolarHBondContact O-N 2.91Å
198A98.8Very high98.6Very high25 Ų2554.7 Ų54.721%0.20731%0.309CS..Hα-helixtrans-62.8-31172.200000112.4I191 D195 V200 E201 A202I191-A198 HydrophobicContact CG2-CB 3.76Å; D195-A198 HydrophobicContact CB-CB 4.12Å; D195-A198 PolarHBondContact O-N 3.06Å; D195-A198 WeakPolarHBondContact OD1-CB 3.33Å; D195-A198 PolarHBondContact OD1-N 3.27Å; D195-A198 WeakPolarHBondContact OD2-CB 3.43Å; A198-V200 VanDerWaalsContact C-N 3.32Å; A198-V200 PolarHBondContact O-N 3.13Å; A198-E201 PolarHBondContact O-N 3.28Å; A198-A202 VanDerWaalsContact O-CB 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.33Å; A198-A202 PolarHBondContact O-N 3.18Å
199M98.8Very high98.6Very high0 Ų053.4 Ų53.40%030%0.302CS..Hα-helixtrans-62.5-39.8170.2-62.2173.764.600111.6I191 D195 E196 A197 A202 V203 F211 W257 L284 A285 A288I191-M199 HydrophobicContact CD1-CB 4.33Å; I191-M199 HydrophobicContact CD1-CG 3.77Å; I191-M199 HydrophobicContact CG2-CG 4.24Å; D195-M199 PolarHBondContact O-N 2.86Å; E196-M199 HydrophobicContact CG-SD 4.39Å; E196-M199 WeakPolarHBondContact O-CB 3.5Å; E196-M199 PolarHBondContact O-N 3.08Å; A197-M199 PolarHBondContact O-N 3.31Å; M199-A202 PolarHBondContact O-N 2.87Å; M199-V203 WeakPolarHBondContact O-CG2 3.49Å; M199-V203 PolarHBondContact O-N 3.08Å; M199-F211 HydrophobicContact CE-CB 3.96Å; M199-F211 HydrophobicContact CE-CD1 4.09Å; M199-F211 HydrophobicContact CE-CG 4.04Å; M199-W257 HydrophobicContact CB-CH2 3.83Å; M199-W257 HydrophobicContact CB-CZ2 3.95Å; M199-L284 HydrophobicContact CE-CD1 4Å; M199-L284 HydrophobicContact SD-CD1 4.12Å; M199-A285 HydrophobicContact SD-CB 3.8Å; M199-A288 HydrophobicContact CE-CB 3.98Å; M199-A288 HydrophobicContact CG-CB 3.78Å; M199-A288 HydrophobicContact SD-CB 3.78Å
200V98.9Very high98.6Very high34 Ų3450.8 Ų50.821%0.20629%0.286CS..Hα-helixtrans-63.8-48.3178.4172.60000109.8E196 A197 A198 A202 A204 Y248 W257E196-V200 PolarHBondContact O-N 3.16Å; A197-V200 WeakPolarHBondContact O-CA 3.31Å; A197-V200 WeakPolarHBondContact O-CB 3.07Å; A197-V200 PolarHBondContact O-N 3.09Å; A198-V200 VanDerWaalsContact C-N 3.32Å; A198-V200 PolarHBondContact O-N 3.13Å; V200-A202 VanDerWaalsContact C-N 3.34Å; V200-A202 PolarHBondContact O-N 2.94Å; V200-A204 VanDerWaalsContact O-CB 3.25Å; V200-A204 WeakPolarHBondContact O-CB 3.4Å; V200-A204 PolarHBondContact O-N 3.22Å; V200-Y248 HydrophobicContact CG1-CD1 4.45Å; V200-Y248 HydrophobicContact CG1-CE1 3.83Å; V200-Y248 HydrophobicContact CG1-CE2 4.19Å; V200-W257 HydrophobicContact CB-CH2 4.18Å; V200-W257 HydrophobicContact CG2-CH2 3.48Å; V200-W257 VanDerWaalsContact CG2-CH2 3.48Å; V200-W257 HydrophobicContact CG2-CZ2 3.67Å; V200-W257 HydrophobicContact CG2-CZ3 4.49Å
201E98.8Very high98.6Very high111 Ų11146 Ų4652%0.51926%0.26SS..Hα-helixtrans-58.2-46.9176.5-174.9176.9171.700111.5A197 A198 V203 A204 L205A197-E201 PolarHBondContact O-N 2.91Å; A198-E201 PolarHBondContact O-N 3.28Å; E201-V203 PolarHBondContact O-N 3.44Å; E201-A204 PolarHBondContact O-N 3.47Å; E201-L205 HydrophobicContact CG-CD1 3.66Å; E201-L205 HydrophobicContact CG-CG 4.31Å; E201-L205 WeakPolarHBondContact O-CB 3.24Å; E201-L205 WeakPolarHBondContact O-CG 3.22Å; E201-L205 PolarHBondContact O-N 3.3Å
202A98.8Very high98.6Very high4 Ų445.2 Ų45.23%0.03326%0.257CS..Hα-helixtrans-64.3-44.1-177.400000113.2I191 A198 M199 V200 A204 Y206 N207 V209 Y290I191-A202 HydrophobicContact CD1-CB 4.21Å; A198-A202 VanDerWaalsContact O-CB 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.33Å; A198-A202 PolarHBondContact O-N 3.18Å; M199-A202 PolarHBondContact O-N 2.87Å; V200-A202 VanDerWaalsContact C-N 3.34Å; V200-A202 PolarHBondContact O-N 2.94Å; A202-A204 VanDerWaalsContact C-N 3.3Å; A202-A204 PolarHBondContact O-N 2.84Å; A202-Y206 HydrophobicContact CB-CD2 4.33Å; A202-Y206 WeakPolarHBondContact O-CA 3.41Å; A202-Y206 WeakPolarHBondContact O-CB 3.21Å; A202-Y206 PolarHBondContact O-N 2.84Å; A202-N207 PolarHBondContact O-N 3.26Å; A202-V209 HydrophobicContact CB-CG2 3.68Å; A202-Y290 HydrophobicContact CB-CD1 4.21Å; A202-Y290 HydrophobicContact CB-CE1 3.6Å
203V98.8Very high98.6Very high22 Ų2240.5 Ų40.513%0.13323%0.227CC..Hα-helixtrans-66.2-34.6175.9172.90000111.5M199 E201 N207 V209 A245 Y248 W257M199-V203 WeakPolarHBondContact O-CG2 3.49Å; M199-V203 PolarHBondContact O-N 3.08Å; E201-V203 PolarHBondContact O-N 3.44Å; V203-N207 WeakPolarHBondContact CA-O 3.29Å; V203-V209 HydrophobicContact CG2-CB 3.92Å; V203-V209 HydrophobicContact CG2-CG2 3.59Å; V203-A245 HydrophobicContact CG2-CB 4.21Å; V203-Y248 HydrophobicContact CB-CD1 4.35Å; V203-Y248 HydrophobicContact CB-CE1 4.42Å; V203-Y248 HydrophobicContact CG1-CD1 3.99Å; V203-Y248 HydrophobicContact CG1-CE1 4.27Å; V203-W257 HydrophobicContact CB-CZ3 4.26Å; V203-W257 HydrophobicContact CG2-CZ3 3.98Å
204A98.5Very high98.6Very high54 Ų5437.2 Ų37.245%0.44621%0.21SC..Hα-helixtrans-74.1-40.1-179.600000113.4V200 E201 A202 Y248V200-A204 VanDerWaalsContact O-CB 3.25Å; V200-A204 WeakPolarHBondContact O-CB 3.4Å; V200-A204 PolarHBondContact O-N 3.22Å; E201-A204 PolarHBondContact O-N 3.47Å; A202-A204 VanDerWaalsContact C-N 3.3Å; A202-A204 PolarHBondContact O-N 2.84Å; A204-Y248 HydrophobicContact CB-CE1 4.13Å; A204-Y248 WeakPolarHBondContact CB-OH 3.43Å
205L98.4Very high98.5Very high112 Ų11233.4 Ų33.459%0.58619%0.189SC*.Hα-helixtrans-104.7-24.4-167.8-60.8-175.7000114.3E201E201-L205 HydrophobicContact CG-CD1 3.66Å; E201-L205 HydrophobicContact CG-CG 4.31Å; E201-L205 WeakPolarHBondContact O-CB 3.24Å; E201-L205 WeakPolarHBondContact O-CG 3.22Å; E201-L205 PolarHBondContact O-N 3.3Å
206Y98.2Very high98.2Very high124 Ų12431.2 Ų31.249%0.48618%0.178SC..THydrogen-bonded Turntrans-122.2-74.1-169-52.5-54.6000112.9A202 Y290A202-Y206 HydrophobicContact CB-CD2 4.33Å; A202-Y206 WeakPolarHBondContact O-CA 3.41Å; A202-Y206 WeakPolarHBondContact O-CB 3.21Å; A202-Y206 PolarHBondContact O-N 2.84Å; Y206-Y290 HydrophobicContact CD2-CE2 4.44Å; Y206-Y290 VanDerWaalsContact CD2-OH 3.24Å; Y206-Y290 WeakPolarHBondContact CD2-OH 3.25Å
207N97.9Very high98Very high19 Ų1933.7 Ų33.710%0.10219%0.19CC..  trans-165.5168.2-172.654.8-154.6000111.6I116 A202 V203 Y290I116-N207 HydrophobicContact CD1-CB 3.81Å; A202-N207 PolarHBondContact O-N 3.26Å; V203-N207 WeakPolarHBondContact CA-O 3.29Å; N207-Y290 WeakPolarHBondContact ND2-CB 3.49Å; N207-Y290 WeakPolarHBondContact ND2-CD2 3.23Å; N207-Y290 WeakPolarHBondContact OD1-CD2 3.29Å
208P98.8Very high97.8Very high18 Ų1832.2 Ų32.212%0.11717%0.172CC..  trans-49.8143.8165.9-31.139.9000113.5L244 A245 V246P208-L244 HydrophobicContact CB-CD1 3.81Å; P208-L244 HydrophobicContact CB-CD2 3.99Å; P208-L244 HydrophobicContact CB-CG 3.84Å; P208-A245 CarbonylContact C-O 3.58Å; P208-A245 WeakPolarHBondContact CA-O 3.37Å; P208-A245 VanDerWaalsContact CB-O 3.31Å; P208-A245 WeakPolarHBondContact CB-O 3.38Å; P208-V246 HydrophobicContact CB-CG1 4.21Å; P208-V246 HydrophobicContact CG-CG1 4.34Å
209V98.9Very high97.7Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-115125.5-173.1172.70000110.3I191 A202 V203 A245 A288 Y290I191-V209 HydrophobicContact CD1-CG1 3.94Å; A202-V209 HydrophobicContact CB-CG2 3.68Å; V203-V209 HydrophobicContact CG2-CB 3.92Å; V203-V209 HydrophobicContact CG2-CG2 3.59Å; V209-A245 PolarHBondContact N-O 3.45Å; V209-A245 PolarHBondContact O-N 3.49Å; V209-A288 HydrophobicContact CG1-CB 3.86Å; V209-Y290 HydrophobicContact CG2-CD1 4Å
210S98.9Very high97.5Very high0 Ų031.1 Ų31.10%016%0.163CC..EExtended strand (participates in β ladder)trans-71.5136.5170.7-63.80000109.7S105 A109 V243 A288 S289S105-S210 PolarHBondContact O-OG 3.17Å; S105-S210 WeakPolarHBondContact OG-CB 3.36Å; S105-S210 PolarHBondContact OG-OG 3.24Å; S105-S210 VanDerWaalsContact OG-OG 3.05Å; A109-S210 WeakPolarHBondContact CB-OG 3.33Å; S210-V243 WeakPolarHBondContact CA-O 3.32Å; S210-A288 CarbonylContact O-C 3.48Å; S210-A288 WeakPolarHBondContact O-CA 3.5Å; S210-S289 WeakPolarHBondContact CA-O 3.48Å; S210-S289 VanDerWaalsContact CB-O 3.28Å; S210-S289 WeakPolarHBondContact CB-O 3.28Å; S210-S289 PolarHBondContact N-O 3.35Å; S210-S289 PolarHBondContact O-N 3.21Å
211F98.8Very high97.4Very high0 Ų029.8 Ų29.80%015%0.154CC..EExtended strand (participates in β ladder)trans-148.9162.217273.1-90.1000110.9M199 F213 A242 V243 A245 V259 L284 A288M199-F211 HydrophobicContact CE-CB 3.96Å; M199-F211 HydrophobicContact CE-CD1 4.09Å; M199-F211 HydrophobicContact CE-CG 4.04Å; F211-F213 HydrophobicContact CD2-CB 4.49Å; F211-F213 HydrophobicContact CD2-CD1 4.5Å; F211-F213 HydrophobicContact CE2-CB 4.19Å; F211-F213 AromaticContact CE2-CD1 3.84Å; F211-F213 HydrophobicContact CE2-CD1 3.84Å; F211-F213 HydrophobicContact CE2-CG 4.28Å; F211-A242 CarbonylContact O-C 3.12Å; F211-A242 WeakPolarHBondContact O-CA 3.36Å; F211-V243 HydrophobicContact CD1-CG2 4.17Å; F211-V243 HydrophobicContact CD2-CG2 4Å; F211-V243 HydrophobicContact CE1-CG2 3.66Å; F211-V243 HydrophobicContact CE2-CG2 3.46Å; F211-V243 VanDerWaalsContact CE2-CG2 3.46Å; F211-V243 HydrophobicContact CG-CG2 4.34Å; F211-V243 HydrophobicContact CZ-CG2 3.29Å; F211-V243 PolarHBondContact N-O 2.91Å; F211-V243 PolarHBondContact O-N 3.42Å; F211-A245 HydrophobicContact CD1-CB 3.94Å; F211-A245 HydrophobicContact CE1-CB 3.77Å; F211-V259 HydrophobicContact CE1-CG1 3.75Å; F211-V259 HydrophobicContact CE1-CG2 3.97Å; F211-V259 HydrophobicContact CZ-CB 4.47Å; F211-V259 HydrophobicContact CZ-CG1 3.73Å; F211-V259 HydrophobicContact CZ-CG2 3.86Å; F211-L284 WeakPolarHBondContact CB-O 3.16Å; F211-L284 HydrophobicContact CD2-CB 3.64Å; F211-L284 WeakPolarHBondContact CD2-O 3.44Å; F211-L284 HydrophobicContact CE2-CB 3.52Å; F211-L284 HydrophobicContact CZ-CB 4.42Å; F211-A288 HydrophobicContact CB-CB 4Å
212A98.4Very high97.4Very high4 Ų424.6 Ų24.63%0.03313%0.13CC..EExtended strand (participates in β ladder)trans-116.6149.5172.300000111.5V239 H241 A242 L284A212-V239 HydrophobicContact CB-CB 4.01Å; A212-V239 HydrophobicContact CB-CG2 3.84Å; A212-H241 CarbonylContact C-O 3.58Å; A212-H241 WeakPolarHBondContact CA-O 3.25Å; A212-A242 HydrophobicContact CB-CB 4.37Å; A212-L284 WeakPolarHBondContact O-CA 3.41Å
213F98.4Very high97.4Very high0 Ų028.5 Ų28.50%015%0.146CC..EExtended strand (participates in β ladder)trans-144.7168.3176.774.9-72.4000110.6F211 V215 F219 N240 H241 V243 F273 I275 C282 L284F211-F213 HydrophobicContact CD2-CB 4.49Å; F211-F213 HydrophobicContact CD2-CD1 4.5Å; F211-F213 HydrophobicContact CE2-CB 4.19Å; F211-F213 AromaticContact CE2-CD1 3.84Å; F211-F213 HydrophobicContact CE2-CD1 3.84Å; F211-F213 HydrophobicContact CE2-CG 4.28Å; F213-V215 HydrophobicContact CE1-CG2 4.29Å; F213-V215 HydrophobicContact CE2-CG2 3.73Å; F213-V215 HydrophobicContact CZ-CG2 3.58Å; F213-F219 HydrophobicContact CE2-CD1 4.21Å; F213-F219 HydrophobicContact CE2-CD2 4.21Å; F213-F219 HydrophobicContact CE2-CE1 4.07Å; F213-F219 HydrophobicContact CE2-CE2 4.06Å; F213-F219 HydrophobicContact CE2-CG 4.26Å; F213-F219 AromaticContact CE2-CZ 3.98Å; F213-F219 HydrophobicContact CE2-CZ 3.98Å; F213-F219 HydrophobicContact CZ-CD1 4.09Å; F213-F219 AromaticContact CZ-CE1 3.54Å; F213-F219 HydrophobicContact CZ-CE1 3.54Å; F213-F219 HydrophobicContact CZ-CE2 4.02Å; F213-F219 AromaticContact CZ-CZ 3.49Å; F213-F219 HydrophobicContact CZ-CZ 3.49Å; F213-F219 VanDerWaalsContact CZ-CZ 3.49Å; F213-N240 PolarHBondContact O-N 2.97Å; F213-N240 PolarHBondContact O-OD1 3.33Å; F213-H241 HydrophobicContact CE1-CB 4.38Å; F213-H241 AromaticContact CE1-CD2 3.74Å; F213-H241 PolarHBondContact N-O 3.24Å; F213-H241 PolarHBondContact O-N 2.04Å; F213-V243 HydrophobicContact CD1-CG2 3.78Å; F213-V243 HydrophobicContact CE1-CB 4.45Å; F213-V243 HydrophobicContact CE1-CG1 3.89Å; F213-V243 HydrophobicContact CE1-CG2 3.67Å; F213-F273 AromaticContact CE1-CZ 3.97Å; F213-F273 HydrophobicContact CE1-CZ 3.97Å; F213-F273 HydrophobicContact CZ-CE2 4.39Å; F213-F273 AromaticContact CZ-CZ 3.92Å; F213-F273 HydrophobicContact CZ-CZ 3.92Å; F213-I275 HydrophobicContact CD2-CD1 4.41Å; F213-C282 CarbonylContact C-O 3.57Å; F213-C282 WeakPolarHBondContact CA-O 3.44Å; F213-C282 HydrophobicContact CB-CB 4.23Å; F213-C282 WeakPolarHBondContact CB-O 3.43Å; F213-C282 HydrophobicContact CD2-CB 3.91Å; F213-L284 HydrophobicContact CB-CB 4.2Å
214E97.9Very high97.3Very high27 Ų2729.3 Ų29.313%0.12615%0.153CC..  trans-84.1114.4173.3-175.2179.3-163.200110.9T216 C232 H233 K238 C282E214-T216 HydrophobicContact CG-CG2 4.34Å; E214-C232 HydrophobicContact CB-CB 4.45Å; E214-H233 IonicContact OE1-CE1 3.41Å; E214-H233 IonicContact OE1-ND1 2.85Å; E214-H233 PolarHBondContact OE1-ND1 2.83Å; E214-H233 WeakPolarHBondContact OE2-CA 3.37Å; E214-H233 VanDerWaalsContact OE2-CB 3.25Å; E214-H233 WeakPolarHBondContact OE2-CB 3.46Å; E214-H233 IonicContact OE2-CG 3.19Å; E214-H233 PolarHBondContact OE2-N 2.88Å; E214-H233 IonicContact OE2-ND1 2.86Å; E214-H233 PolarHBondContact OE2-ND1 3.36Å; E214-K238 WeakPolarHBondContact CB-O 3.48Å; E214-K238 WeakPolarHBondContact CG-O 3.4Å; E214-C282 PolarHBondContact N-O 3.12Å; E214-C282 WeakPolarHBondContact O-CB 3.49Å
215V95.4Very high97.3Very high0 Ų027.7 Ų27.70%014%0.141CC..  trans-77.5127.4165.8170.50000109.7L90 F213 F219 L220 N240 H241 W263L90-V215 HydrophobicContact CD1-CB 3.9Å; L90-V215 HydrophobicContact CD1-CG1 3.62Å; L90-V215 HydrophobicContact CD2-CB 4.08Å; L90-V215 HydrophobicContact CD2-CG1 4.15Å; L90-V215 HydrophobicContact CD2-CG2 4.22Å; F213-V215 HydrophobicContact CE1-CG2 4.29Å; F213-V215 HydrophobicContact CE2-CG2 3.73Å; F213-V215 HydrophobicContact CZ-CG2 3.58Å; V215-F219 HydrophobicContact CB-CD1 4.38Å; V215-F219 HydrophobicContact CG1-CB 4.33Å; V215-F219 HydrophobicContact CG1-CD1 3.92Å; V215-F219 HydrophobicContact CG2-CD1 3.81Å; V215-F219 HydrophobicContact CG2-CE1 4.13Å; V215-L220 HydrophobicContact CG1-CD2 3.8Å; V215-L220 HydrophobicContact CG1-CG 4.1Å; V215-N240 WeakPolarHBondContact CB-OD1 3.37Å; V215-N240 PolarHBondContact N-OD1 3.17Å; V215-N240 PolarHBondContact O-ND2 3.21Å; V215-H241 HydrophobicContact CB-CB 4.44Å; V215-H241 HydrophobicContact CG2-CB 3.46Å; V215-H241 VanDerWaalsContact CG2-CB 3.46Å; V215-W263 HydrophobicContact CG1-CH2 4.1Å; V215-W263 HydrophobicContact CG2-CH2 4.07Å; V215-W263 HydrophobicContact CG2-CZ2 4.49Å
216T93.9Very high97.3Very high13 Ų1322.6 Ų22.68%0.0812%0.115CC..  trans-111.2172.2172.148.70000111.3E214 D218 F219 Y227 C232E214-T216 HydrophobicContact CG-CG2 4.34Å; T216-D218 VanDerWaalsContact C-N 3.31Å; T216-D218 WeakPolarHBondContact CB-OD1 3.12Å; T216-D218 PolarHBondContact O-N 2.87Å; T216-D218 PolarHBondContact OG1-OD1 2.97Å; T216-F219 PolarHBondContact O-N 3.01Å; T216-Y227 PolarHBondContact OG1-OH 3.32Å; T216-C232 HydrophobicContact CG2-CB 3.83Å
217E92.9Very high97.3Very high71 Ų7116.7 Ų16.733%0.3329%0.092SC..THydrogen-bonded Turntrans-57.7-38.8-173.4-178.9176.1-147.100113.8K59 F82K59-E217 IonicContact NZ-OE1 2.78Å; K59-E217 PolarHBondContact NZ-OE1 2.98Å; K59-E217 IonicContact NZ-OE2 3.89Å; K59-E217 PolarHBondContact NZ-OE2 2.94Å; F82-E217 HydrophobicContact CB-CB 4.06Å; F82-E217 HydrophobicContact CB-CG 4.01Å; F82-E217 HydrophobicContact CD2-CB 3.98Å; F82-E217 HydrophobicContact CG-CB 3.96Å; F82-E217 HydrophobicContact CG-CG 4.45Å
218D95.2Very high97.3Very high38 Ų3817.4 Ų17.420%0.20310%0.098CC..THydrogen-bonded Turntrans-68-37.8179.456.2-22.8000113T216 L220 M221 Y227T216-D218 VanDerWaalsContact C-N 3.31Å; T216-D218 WeakPolarHBondContact CB-OD1 3.12Å; T216-D218 PolarHBondContact O-N 2.87Å; T216-D218 PolarHBondContact OG1-OD1 2.97Å; D218-L220 PolarHBondContact O-N 3.26Å; D218-M221 PolarHBondContact O-N 2.99Å; D218-Y227 PolarHBondContact OD1-OH 2.95Å
219F97.3Very high97.2Very high0 Ų017.3 Ų17.30%010%0.098CC..G310 helixtrans-59.8-35.4178.1-174.5-99.3000112.7F213 V215 T216 M221 Y222 Y227 W263 W267 F273F213-F219 HydrophobicContact CE2-CD1 4.21Å; F213-F219 HydrophobicContact CE2-CD2 4.21Å; F213-F219 HydrophobicContact CE2-CE1 4.07Å; F213-F219 HydrophobicContact CE2-CE2 4.06Å; F213-F219 HydrophobicContact CE2-CG 4.26Å; F213-F219 AromaticContact CE2-CZ 3.98Å; F213-F219 HydrophobicContact CE2-CZ 3.98Å; F213-F219 HydrophobicContact CZ-CD1 4.09Å; F213-F219 AromaticContact CZ-CE1 3.54Å; F213-F219 HydrophobicContact CZ-CE1 3.54Å; F213-F219 HydrophobicContact CZ-CE2 4.02Å; F213-F219 AromaticContact CZ-CZ 3.49Å; F213-F219 HydrophobicContact CZ-CZ 3.49Å; F213-F219 VanDerWaalsContact CZ-CZ 3.49Å; V215-F219 HydrophobicContact CB-CD1 4.38Å; V215-F219 HydrophobicContact CG1-CB 4.33Å; V215-F219 HydrophobicContact CG1-CD1 3.92Å; V215-F219 HydrophobicContact CG2-CD1 3.81Å; V215-F219 HydrophobicContact CG2-CE1 4.13Å; T216-F219 PolarHBondContact O-N 3.01Å; F219-M221 PolarHBondContact O-N 3.48Å; F219-M221 VanDerWaalsContact O-N 3.14Å; F219-Y222 WeakPolarHBondContact O-CB 3.42Å; F219-Y222 PolarHBondContact O-N 2.63Å; F219-Y227 HydrophobicContact CB-CE1 4.34Å; F219-Y227 HydrophobicContact CB-CE2 3.95Å; F219-Y227 AromaticContact CD2-CD1 3.62Å; F219-Y227 HydrophobicContact CD2-CD1 3.62Å; F219-Y227 AromaticContact CD2-CD2 3.92Å; F219-Y227 HydrophobicContact CD2-CD2 3.92Å; F219-Y227 AromaticContact CD2-CE1 3.58Å; F219-Y227 HydrophobicContact CD2-CE1 3.58Å; F219-Y227 AromaticContact CD2-CE2 3.89Å; F219-Y227 HydrophobicContact CD2-CE2 3.89Å; F219-Y227 AromaticContact CD2-CG 3.79Å; F219-Y227 HydrophobicContact CD2-CG 3.79Å; F219-Y227 AromaticContact CD2-CZ 3.72Å; F219-Y227 HydrophobicContact CE2-CD1 4.05Å; F219-Y227 HydrophobicContact CE2-CE1 4.35Å; F219-Y227 HydrophobicContact CE2-CG 4.24Å; F219-Y227 HydrophobicContact CG-CE1 4.34Å; F219-Y227 HydrophobicContact CG-CE2 4.44Å; F219-W263 AromaticContact CD1-CH2 3.85Å; F219-W263 HydrophobicContact CD1-CH2 3.85Å; F219-W263 AromaticContact CD1-CZ3 3.87Å; F219-W263 HydrophobicContact CD1-CZ3 3.87Å; F219-W263 AromaticContact CE1-CH2 3.75Å; F219-W263 HydrophobicContact CE1-CH2 3.75Å; F219-W263 AromaticContact CE1-CZ3 3.65Å; F219-W263 HydrophobicContact CE1-CZ3 3.65Å; F219-W267 HydrophobicContact CD1-CZ2 4.25Å; F219-W267 AromaticContact CE1-CH2 3.76Å; F219-W267 HydrophobicContact CE1-CH2 3.76Å; F219-W267 AromaticContact CE1-CZ2 3.68Å; F219-W267 HydrophobicContact CE1-CZ2 3.68Å; F219-W267 HydrophobicContact CE2-CH2 4.22Å; F219-W267 AromaticContact CZ-CH2 3.49Å; F219-W267 HydrophobicContact CZ-CH2 3.49Å; F219-W267 VanDerWaalsContact CZ-CH2 3.49Å; F219-W267 AromaticContact CZ-CZ2 3.85Å; F219-W267 HydrophobicContact CZ-CZ2 3.85Å; F219-F273 HydrophobicContact CE2-CD1 4.48Å; F219-F273 AromaticContact CE2-CD2 3.55Å; F219-F273 HydrophobicContact CE2-CD2 3.55Å; F219-F273 AromaticContact CE2-CE2 3.6Å; F219-F273 HydrophobicContact CE2-CE2 3.6Å; F219-F273 AromaticContact CE2-CG 4Å; F219-F273 HydrophobicContact CE2-CG 4Å; F219-F273 HydrophobicContact CE2-CZ 4.08Å; F219-F273 AromaticContact CZ-CD1 3.9Å; F219-F273 HydrophobicContact CZ-CD1 3.9Å; F219-F273 AromaticContact CZ-CD2 3.76Å; F219-F273 HydrophobicContact CZ-CD2 3.76Å; F219-F273 AromaticContact CZ-CE1 3.77Å; F219-F273 HydrophobicContact CZ-CE1 3.77Å; F219-F273 AromaticContact CZ-CE2 3.63Å; F219-F273 HydrophobicContact CZ-CE2 3.63Å; F219-F273 AromaticContact CZ-CG 3.87Å; F219-F273 HydrophobicContact CZ-CG 3.87Å; F219-F273 AromaticContact CZ-CZ 3.61Å; F219-F273 HydrophobicContact CZ-CZ 3.61Å
220L94Very high97Very high2 Ų227.7 Ų27.71%0.0114%0.143CC..G310 helixtrans-58.8-30.9-179.4-66.9171.9000113N75 F82 I85 V215 D218 W263 W267N75-L220 PolarHBondContact ND2-O 2.62Å; F82-L220 HydrophobicContact CD2-CD1 3.54Å; F82-L220 HydrophobicContact CE2-CD1 4.09Å; I85-L220 HydrophobicContact CB-CD1 4.06Å; I85-L220 HydrophobicContact CD1-CD1 3.51Å; I85-L220 HydrophobicContact CD1-CG 4.48Å; I85-L220 HydrophobicContact CG1-CD1 4.4Å; I85-L220 HydrophobicContact CG2-CD1 3.75Å; I85-L220 HydrophobicContact CG2-CD2 3.58Å; I85-L220 HydrophobicContact CG2-CG 4.3Å; V215-L220 HydrophobicContact CG1-CD2 3.8Å; V215-L220 HydrophobicContact CG1-CG 4.1Å; D218-L220 PolarHBondContact O-N 3.26Å; L220-W263 HydrophobicContact CD2-CH2 3.74Å; L220-W263 HydrophobicContact CD2-CZ2 4.44Å; L220-W263 HydrophobicContact CD2-CZ3 3.98Å; L220-W267 PolarHBondContact O-NE1 3.12Å
221M97.3Very high96.8Very high7 Ų731.4 Ų31.43%0.03417%0.169CC..G310 helixtrans-98.19.6179.6-54.3-61.6168.800112.4N56 I60 M72 A73 D218 F219 K223N56-M221 HydrophobicContact CB-CE 4.07Å; I60-M221 HydrophobicContact CD1-CB 4.38Å; I60-M221 HydrophobicContact CD1-CG 4.32Å; I60-M221 HydrophobicContact CD1-SD 4.28Å; I60-M221 HydrophobicContact CG1-CB 4.21Å; I60-M221 HydrophobicContact CG1-CG 4.36Å; M72-M221 CarbonylContact C-O 3.47Å; M72-M221 WeakPolarHBondContact CA-O 3.35Å; M72-M221 HydrophobicContact CB-CB 4.08Å; M72-M221 VanDerWaalsContact CB-O 3.31Å; M72-M221 WeakPolarHBondContact CB-O 3.38Å; M72-M221 HydrophobicContact CE-CB 3.47Å; M72-M221 VanDerWaalsContact CE-CB 3.47Å; M72-M221 HydrophobicContact CE-CG 3.9Å; M72-M221 HydrophobicContact CG-CB 4.21Å; A73-M221 PolarHBondContact N-O 2.78Å; D218-M221 PolarHBondContact O-N 2.99Å; F219-M221 PolarHBondContact O-N 3.48Å; F219-M221 VanDerWaalsContact O-N 3.14Å; M221-K223 PolarHBondContact O-N 2.99Å
222Y98.3Very high96.8Very high2 Ų232 Ų321%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-50.6135.9176.3172.1-87.7000111F70 F219 S224 G225 Y227 W267 E269 F273 L274F70-Y222 HydrophobicContact CB-CD2 4.35Å; F70-Y222 HydrophobicContact CB-CE2 4.18Å; F70-Y222 AromaticContact CD2-CD2 4Å; F70-Y222 HydrophobicContact CD2-CD2 4Å; F70-Y222 HydrophobicContact CG-CD2 4.49Å; F219-Y222 WeakPolarHBondContact O-CB 3.42Å; F219-Y222 PolarHBondContact O-N 2.63Å; Y222-S224 WeakPolarHBondContact OH-CA 3.45Å; Y222-G225 WeakPolarHBondContact CE2-O 3.23Å; Y222-G225 PolarHBondContact OH-N 3.46Å; Y222-G225 PolarHBondContact OH-O 3.02Å; Y222-Y227 HydrophobicContact CD2-CD2 4.49Å; Y222-W267 AromaticContact CD1-CH2 3.84Å; Y222-W267 HydrophobicContact CD1-CH2 3.84Å; Y222-W267 HydrophobicContact CD1-CZ2 4.11Å; Y222-W267 HydrophobicContact CD1-CZ3 4.29Å; Y222-W267 HydrophobicContact CG-CH2 4.34Å; Y222-W267 HydrophobicContact CG-CZ2 4.35Å; Y222-E269 HydrophobicContact CE1-CG 4.38Å; Y222-E269 PolarHBondContact OH-OE2 2.86Å; Y222-F273 HydrophobicContact CD1-CB 3.67Å; Y222-F273 HydrophobicContact CE1-CB 3.29Å; Y222-F273 HydrophobicContact CE2-CB 4.19Å; Y222-F273 HydrophobicContact CG-CB 4.31Å; Y222-L274 PolarHBondContact OH-N 3.42Å
223K98.1Very high96.8Very high85 Ų8536.1 Ų36.137%0.3719%0.192SC..EExtended strand (participates in β ladder)trans-120-49.5173.8-177.557-172.7163.30113.8K71 A73 M221 G268 E269K71-K223 PolarHBondContact O-N 2.88Å; A73-K223 HydrophobicContact CB-CB 3.6Å; A73-K223 HydrophobicContact CB-CD 3.9Å; A73-K223 HydrophobicContact CB-CG 3.66Å; M221-K223 PolarHBondContact O-N 2.99Å; K223-G268 PolarHBondContact NZ-O 2.47Å; K223-G268 CarbonylContact O-C 3.55Å; K223-E269 WeakPolarHBondContact O-CG 3.31Å
224S98.1Very high96.7Very high39 Ų3940.7 Ų40.727%0.27321%0.211SC..EExtended strand (participates in β ladder)trans-164.5163.6-176.459.20000112.6F70 K71 Y222 E269F70-S224 CarbonylContact C-O 3.14Å; F70-S224 WeakPolarHBondContact CA-O 3.23Å; F70-S224 VanDerWaalsContact CB-O 3.31Å; F70-S224 WeakPolarHBondContact CB-O 3.44Å; K71-S224 PolarHBondContact N-O 2.97Å; K71-S224 PolarHBondContact O-N 3.28Å; Y222-S224 WeakPolarHBondContact OH-CA 3.45Å; S224-E269 WeakPolarHBondContact CA-OE2 3.33Å
225G98Very high96.7Very high20 Ų2042.3 Ų42.321%0.20622%0.223CC..EExtended strand (participates in β ladder)trans88.6-176178.700000112.8T69 Y222 Y227 E269 L274T69-G225 CarbonylContact O-C 3.55Å; T69-G225 WeakPolarHBondContact O-CA 3.3Å; Y222-G225 WeakPolarHBondContact CE2-O 3.23Å; Y222-G225 PolarHBondContact OH-N 3.46Å; Y222-G225 PolarHBondContact OH-O 3.02Å; G225-Y227 PolarHBondContact O-N 3.46Å; G225-E269 PolarHBondContact N-OE2 2.78Å; G225-L274 WeakPolarHBondContact O-CB 3.43Å
226V98.4Very high96.7Very high5 Ų545.4 Ų45.43%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-86.6107-173.8-1760000110.2T69 L254 Y256 L274 E276T69-V226 CarbonylContact C-O 3.5Å; T69-V226 VanDerWaalsContact CB-O 3.32Å; T69-V226 WeakPolarHBondContact CB-O 3.27Å; T69-V226 PolarHBondContact O-N 2.8Å; T69-V226 PolarHBondContact OG1-O 3.23Å; V226-L254 HydrophobicContact CB-CD2 3.51Å; V226-L254 HydrophobicContact CB-CG 4.29Å; V226-L254 HydrophobicContact CG1-CD2 3.67Å; V226-L254 HydrophobicContact CG1-CG 4.02Å; V226-L254 HydrophobicContact CG2-CD2 3.86Å; V226-L254 HydrophobicContact CG2-CG 4.37Å; V226-Y256 HydrophobicContact CG2-CD1 3.97Å; V226-Y256 HydrophobicContact CG2-CG 4.2Å; V226-L274 HydrophobicContact CG2-CB 4.32Å; V226-L274 HydrophobicContact CG2-CD1 4.34Å; V226-E276 HydrophobicContact CG1-CB 4.03Å
227Y98.6Very high96.6Very high0 Ų049.8 Ų49.80%027%0.266CS..EExtended strand (participates in β ladder)trans-65133.6176.5177.9-104.9000111.2F70 T216 D218 F219 Y222 G225 S229 L274 I275 E276F70-Y227 HydrophobicContact CD1-CD2 4.13Å; F70-Y227 HydrophobicContact CD2-CD2 4.12Å; F70-Y227 AromaticContact CE1-CD2 3.86Å; F70-Y227 HydrophobicContact CE1-CD2 3.86Å; F70-Y227 HydrophobicContact CE1-CE2 4.23Å; F70-Y227 AromaticContact CE2-CD2 3.85Å; F70-Y227 HydrophobicContact CE2-CD2 3.85Å; F70-Y227 HydrophobicContact CE2-CE2 4.24Å; F70-Y227 HydrophobicContact CG-CD2 4.24Å; F70-Y227 AromaticContact CZ-CD2 3.71Å; F70-Y227 HydrophobicContact CZ-CD2 3.71Å; F70-Y227 AromaticContact CZ-CE2 3.85Å; F70-Y227 HydrophobicContact CZ-CE2 3.85Å; T216-Y227 PolarHBondContact OG1-OH 3.32Å; D218-Y227 PolarHBondContact OD1-OH 2.95Å; F219-Y227 HydrophobicContact CB-CE1 4.34Å; F219-Y227 HydrophobicContact CB-CE2 3.95Å; F219-Y227 AromaticContact CD2-CD1 3.62Å; F219-Y227 HydrophobicContact CD2-CD1 3.62Å; F219-Y227 AromaticContact CD2-CD2 3.92Å; F219-Y227 HydrophobicContact CD2-CD2 3.92Å; F219-Y227 AromaticContact CD2-CE1 3.58Å; F219-Y227 HydrophobicContact CD2-CE1 3.58Å; F219-Y227 AromaticContact CD2-CE2 3.89Å; F219-Y227 HydrophobicContact CD2-CE2 3.89Å; F219-Y227 AromaticContact CD2-CG 3.79Å; F219-Y227 HydrophobicContact CD2-CG 3.79Å; F219-Y227 AromaticContact CD2-CZ 3.72Å; F219-Y227 HydrophobicContact CE2-CD1 4.05Å; F219-Y227 HydrophobicContact CE2-CE1 4.35Å; F219-Y227 HydrophobicContact CE2-CG 4.24Å; F219-Y227 HydrophobicContact CG-CE1 4.34Å; F219-Y227 HydrophobicContact CG-CE2 4.44Å; Y222-Y227 HydrophobicContact CD2-CD2 4.49Å; G225-Y227 PolarHBondContact O-N 3.46Å; Y227-S229 WeakPolarHBondContact OH-CB 3.37Å; Y227-L274 WeakPolarHBondContact CB-O 3.46Å; Y227-L274 PolarHBondContact N-O 2.86Å; Y227-I275 HydrophobicContact CD1-CD1 3.91Å; Y227-I275 HydrophobicContact CD1-CG1 3.98Å; Y227-I275 HydrophobicContact CE1-CD1 4.38Å; Y227-I275 WeakPolarHBondContact O-CA 3.48Å; Y227-E276 PolarHBondContact O-N 3.4Å
228S97.6Very high96.8Very high35 Ų3550.2 Ų50.225%0.24527%0.267CS..  trans-148.1148169.359.30000108.5E276S228-E276 WeakPolarHBondContact CB-OE2 3.47Å
229S96.9Very high96.8Very high15 Ų1549.8 Ų49.811%0.10527%0.266CS..  trans-138.6143.3177.6178.30000111.1Y227 S231 C232 M281Y227-S229 WeakPolarHBondContact OH-CB 3.37Å; S229-S231 PolarHBondContact OG-N 3.45Å; S229-S231 VanDerWaalsContact OG-N 3.16Å; S229-S231 PolarHBondContact OG-OG 3Å; S229-C232 PolarHBondContact OG-N 3.35Å; S229-M281 PolarHBondContact N-SD 3.14Å; S229-M281 VanDerWaalsContact N-SD 3.35Å; S229-M281 VanDerWaalsContact O-SD 3.38Å
230K94.8Very high96.7Very high218 Ų21851 Ų5195%0.94827%0.272SS*.SBendtrans-93.4-10.5172.8-63.7-175.4-178.6-178.20112.3
231S95.3Very high96.8Very high79 Ų7951 Ų5155%0.55227%0.272SS*.SBendtrans-101.7-21.4-174.853.20000113.6S229S229-S231 PolarHBondContact OG-N 3.45Å; S229-S231 VanDerWaalsContact OG-N 3.16Å; S229-S231 PolarHBondContact OG-OG 3Å
232C97.4Very high96.8Very high11 Ų1151 Ų517%0.07427%0.273CS..SBendtrans-71.6139.5172.865.20000110.7E214 T216 S229 C282E214-C232 HydrophobicContact CB-CB 4.45Å; T216-C232 HydrophobicContact CG2-CB 3.83Å; S229-C232 PolarHBondContact OG-N 3.35Å; C232-C282 HydrophobicContact CB-CB 3.6Å; C232-C282 WeakPolarHBondContact CB-SG 3.49Å; C232-C282 WeakPolarHBondContact SG-CA 3.45Å; C232-C282 WeakPolarHBondContact SG-CB 3.26Å; C232-C282 PolarHBondContact SG-N 3.27Å; C232-C282 VanDerWaalsContact SG-N 3.39Å; C232-C282 CovalentContact SG-SG 2.05Å; C232-C282 PolarHBondContact SG-SG 3.42Å
233H98.1Very high96.8Very high92 Ų9251 Ų5143%0.42627%0.273SS..  trans-76.1168.3172.5-51.984.5000110.2E214 K238 C282 G283E214-H233 IonicContact OE1-CE1 3.41Å; E214-H233 IonicContact OE1-ND1 2.85Å; E214-H233 PolarHBondContact OE1-ND1 2.83Å; E214-H233 WeakPolarHBondContact OE2-CA 3.37Å; E214-H233 VanDerWaalsContact OE2-CB 3.25Å; E214-H233 WeakPolarHBondContact OE2-CB 3.46Å; E214-H233 IonicContact OE2-CG 3.19Å; E214-H233 PolarHBondContact OE2-N 2.88Å; E214-H233 IonicContact OE2-ND1 2.86Å; E214-H233 PolarHBondContact OE2-ND1 3.36Å; H233-K238 HydrophobicContact CB-CB 3.84Å; H233-K238 HydrophobicContact CB-CG 3.67Å; H233-C282 CarbonylContact O-C 3.45Å; H233-C282 WeakPolarHBondContact O-CA 3.44Å; H233-G283 PolarHBondContact O-N 3.06Å
234K97.9Very high96.8Very high95 Ų9547.1 Ų47.141%0.41326%0.257SS..  trans-121.818-178.9-55.9-173.7178.3-171.90112.9K279 N280K234-K279 WeakPolarHBondContact CE-O 3.47Å; K234-K279 PolarHBondContact NZ-O 3.07Å; K234-N280 HydrophobicContact CD-CB 4.49Å; K234-N280 VanDerWaalsContact CD-O 3.31Å; K234-N280 WeakPolarHBondContact CD-O 3.26Å; K234-N280 WeakPolarHBondContact CG-O 3.17Å
235T96.4Very high96.9Very high61 Ų6145.3 Ų45.337%0.37424%0.244SC..SBendtrans-104.8147.4-173.156.20000111.3D237 K238T235-D237 WeakPolarHBondContact CB-OD1 3.42Å; T235-D237 PolarHBondContact O-N 3.14Å; T235-D237 PolarHBondContact OG1-OD1 3.31Å; T235-K238 PolarHBondContact O-N 2.92Å; T235-K238 VanDerWaalsContact O-N 3.09Å; T235-K238 WeakPolarHBondContact OG1-CG 3.24Å
236P95.3Very high96.9Very high66 Ų6646.8 Ų46.843%0.42925%0.249SC..THydrogen-bonded Turntrans-60.5-25.2-178.6-23.632.8000114.8L193 K238 V239 A286L193-P236 HydrophobicContact CD1-CG 3.6Å; P236-K238 PolarHBondContact O-N 3.5Å; P236-V239 WeakPolarHBondContact O-CG2 3.07Å; P236-A286 HydrophobicContact CB-CB 4.2Å; P236-A286 HydrophobicContact CG-CB 4Å
237D93.4Very high96.9Very high105 Ų10547.1 Ų47.156%0.56125%0.253SS*.THydrogen-bonded Turntrans-74.9-10.4178.870.9-64000113.5T235T235-D237 WeakPolarHBondContact CB-OD1 3.42Å; T235-D237 PolarHBondContact O-N 3.14Å; T235-D237 PolarHBondContact OG1-OD1 3.31Å
238K95.8Very high96.9Very high80 Ų8051.4 Ų51.435%0.34827%0.27SS..THydrogen-bonded Turntrans-106-17-176.9-61.2-59.8-177.2-130.60114.1E214 H233 T235 P236 N240E214-K238 WeakPolarHBondContact CB-O 3.48Å; E214-K238 WeakPolarHBondContact CG-O 3.4Å; H233-K238 HydrophobicContact CB-CB 3.84Å; H233-K238 HydrophobicContact CB-CG 3.67Å; T235-K238 PolarHBondContact O-N 2.92Å; T235-K238 VanDerWaalsContact O-N 3.09Å; T235-K238 WeakPolarHBondContact OG1-CG 3.24Å; P236-K238 PolarHBondContact O-N 3.5Å; K238-N240 PolarHBondContact O-N 2.78Å
239V95.5Very high97Very high28 Ų2850.5 Ų50.517%0.1727%0.267CS..  trans-62.9137.9176.4-54.90000109.7A212 P236 A286A212-V239 HydrophobicContact CB-CB 4.01Å; A212-V239 HydrophobicContact CB-CG2 3.84Å; P236-V239 WeakPolarHBondContact O-CG2 3.07Å; V239-A286 HydrophobicContact CG1-CB 4.12Å
240N94.8Very high97Very high26 Ų2655.5 Ų55.514%0.13929%0.288CS..  trans-142.21-170.164.919.2000113.3L90 F213 V215 K238L90-N240 HydrophobicContact CB-CB 4.46Å; F213-N240 PolarHBondContact O-N 2.97Å; F213-N240 PolarHBondContact O-OD1 3.33Å; V215-N240 WeakPolarHBondContact CB-OD1 3.37Å; V215-N240 PolarHBondContact N-OD1 3.17Å; V215-N240 PolarHBondContact O-ND2 3.21Å; K238-N240 PolarHBondContact O-N 2.78Å
241H96.5Very high96.9Very high2 Ų250 Ų501%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-147130.2-179.4-169.255.9000110.5L90 C101 A212 F213 V215 V243 N261 W263L90-H241 HydrophobicContact CD2-CB 4.21Å; C101-H241 WeakPolarHBondContact CB-CE1 3.32Å; C101-H241 WeakPolarHBondContact CB-ND1 3.43Å; C101-H241 PolarHBondContact SG-ND1 3.21Å; A212-H241 CarbonylContact C-O 3.58Å; A212-H241 WeakPolarHBondContact CA-O 3.25Å; F213-H241 HydrophobicContact CE1-CB 4.38Å; F213-H241 AromaticContact CE1-CD2 3.74Å; F213-H241 PolarHBondContact N-O 3.24Å; F213-H241 PolarHBondContact O-N 2.04Å; V215-H241 HydrophobicContact CB-CB 4.44Å; V215-H241 HydrophobicContact CG2-CB 3.46Å; V215-H241 VanDerWaalsContact CG2-CB 3.46Å; H241-V243 VanDerWaalsContact CD2-CG1 3.46Å; H241-V243 WeakPolarHBondContact CD2-CG1 3.44Å; H241-V243 WeakPolarHBondContact NE2-CG1 3.47Å; H241-N261 PolarHBondContact NE2-OD1 3.43Å; H241-W263 AromaticContact CD2-CZ2 3.88Å; H241-W263 AromaticContact CE1-CE2 3.66Å; H241-W263 AromaticContact CE1-CZ2 3.59Å; H241-W263 AromaticContact CE1-NE1 3.48Å; H241-W263 PolarHBondContact CE1-NE1 3.25Å; H241-W263 AromaticContact ND1-CZ2 3.96Å; H241-W263 AromaticContact NE2-CE2 3.76Å; H241-W263 AromaticContact NE2-CZ2 3.53Å; H241-W263 AromaticContact NE2-NE1 3.97Å
242A97.8Very high96.8Very high6 Ų653.8 Ų53.85%0.0528%0.28CS..EExtended strand (participates in β ladder)trans-104.7138.3178.400000111C101 W102 P146 F211 A212C101-A242 PolarHBondContact SG-N 2.78Å; C101-A242 VanDerWaalsContact SG-N 3.4Å; W102-A242 HydrophobicContact CB-CB 4.15Å; P146-A242 HydrophobicContact CG-CB 4.18Å; F211-A242 CarbonylContact O-C 3.12Å; F211-A242 WeakPolarHBondContact O-CA 3.36Å; A212-A242 HydrophobicContact CB-CB 4.37Å
243V98.5Very high96.6Very high3 Ų356 Ų562%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-145.8-178.8-172.6-710000109.9S105 S210 F211 F213 H241 V259 F273S105-V243 PolarHBondContact OG-O 3.37Å; S210-V243 WeakPolarHBondContact CA-O 3.32Å; F211-V243 HydrophobicContact CD1-CG2 4.17Å; F211-V243 HydrophobicContact CD2-CG2 4Å; F211-V243 HydrophobicContact CE1-CG2 3.66Å; F211-V243 HydrophobicContact CE2-CG2 3.46Å; F211-V243 VanDerWaalsContact CE2-CG2 3.46Å; F211-V243 HydrophobicContact CG-CG2 4.34Å; F211-V243 HydrophobicContact CZ-CG2 3.29Å; F211-V243 PolarHBondContact N-O 2.91Å; F211-V243 PolarHBondContact O-N 3.42Å; F213-V243 HydrophobicContact CD1-CG2 3.78Å; F213-V243 HydrophobicContact CE1-CB 4.45Å; F213-V243 HydrophobicContact CE1-CG1 3.89Å; F213-V243 HydrophobicContact CE1-CG2 3.67Å; H241-V243 VanDerWaalsContact CD2-CG1 3.46Å; H241-V243 WeakPolarHBondContact CD2-CG1 3.44Å; H241-V243 WeakPolarHBondContact NE2-CG1 3.47Å; V243-V259 HydrophobicContact CB-CG1 3.66Å; V243-V259 HydrophobicContact CG2-CG1 3.55Å; V243-F273 HydrophobicContact CG1-CE1 4.22Å; V243-F273 HydrophobicContact CG1-CZ 4.46Å; V243-F273 HydrophobicContact CG2-CZ 4.29Å
244L98.8Very high96.5Very high4 Ų453.4 Ų53.42%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-126.9115.7-175.1-175.173.3000111.2A109 P208 V246 V259 K260A109-L244 HydrophobicContact CB-CD1 3.68Å; P208-L244 HydrophobicContact CB-CD1 3.81Å; P208-L244 HydrophobicContact CB-CD2 3.99Å; P208-L244 HydrophobicContact CB-CG 3.84Å; L244-V246 HydrophobicContact CD2-CG1 3.89Å; L244-V246 HydrophobicContact CG-CG1 4.03Å; L244-V246 PolarHBondContact O-N 3.32Å; L244-V259 CarbonylContact O-C 3.57Å; L244-V259 WeakPolarHBondContact O-CA 3.45Å; L244-V259 WeakPolarHBondContact O-CG1 3.33Å; L244-K260 HydrophobicContact CB-CB 4.28Å; L244-K260 HydrophobicContact CD2-CD 4.37Å; L244-K260 PolarHBondContact N-O 3.3Å; L244-K260 PolarHBondContact O-N 2.98Å
245A98.9Very high96.5Very high0 Ų051.9 Ų51.90%029%0.29CS..EExtended strand (participates in β ladder)trans-74.3116.4169.600000109.2V203 P208 V209 F211 W257V203-A245 HydrophobicContact CG2-CB 4.21Å; P208-A245 CarbonylContact C-O 3.58Å; P208-A245 WeakPolarHBondContact CA-O 3.37Å; P208-A245 VanDerWaalsContact CB-O 3.31Å; P208-A245 WeakPolarHBondContact CB-O 3.38Å; V209-A245 PolarHBondContact N-O 3.45Å; V209-A245 PolarHBondContact O-N 3.49Å; F211-A245 HydrophobicContact CD1-CB 3.94Å; F211-A245 HydrophobicContact CE1-CB 3.77Å; A245-W257 HydrophobicContact CB-CE3 4.1Å; A245-W257 HydrophobicContact CB-CZ3 4.49Å
246V98.7Very high96.7Very high52 Ų5250.8 Ų50.832%0.31528%0.279SS..EExtended strand (participates in β ladder)trans-107.1-2.8-177.5-61.70000113.2P208 L244 I258 K260 Y272P208-V246 HydrophobicContact CB-CG1 4.21Å; P208-V246 HydrophobicContact CG-CG1 4.34Å; L244-V246 HydrophobicContact CD2-CG1 3.89Å; L244-V246 HydrophobicContact CG-CG1 4.03Å; L244-V246 PolarHBondContact O-N 3.32Å; V246-I258 HydrophobicContact CG2-CB 4.14Å; V246-I258 HydrophobicContact CG2-CG2 3.73Å; V246-I258 WeakPolarHBondContact CG2-O 3.29Å; V246-I258 PolarHBondContact N-O 2.86Å; V246-K260 HydrophobicContact CG1-CB 4.11Å; V246-Y272 HydrophobicContact CG1-CE1 4.49Å; V246-Y272 HydrophobicContact CG2-CD1 4.19Å; V246-Y272 HydrophobicContact CG2-CE1 3.8Å
247G98.8Very high96.8Very high12 Ų1247.7 Ų47.712%0.12426%0.259CS..EExtended strand (participates in β ladder)trans172178.6-177.800000111I258G247-I258 PolarHBondContact O-N 3.02Å
248Y98.8Very high97.1Very high89 Ų8945.3 Ų45.335%0.34925%0.246SC..EExtended strand (participates in β ladder)trans-150.7165175.359.3-96.2000110.1V200 V203 A204 Y256 W257V200-Y248 HydrophobicContact CG1-CD1 4.45Å; V200-Y248 HydrophobicContact CG1-CE1 3.83Å; V200-Y248 HydrophobicContact CG1-CE2 4.19Å; V203-Y248 HydrophobicContact CB-CD1 4.35Å; V203-Y248 HydrophobicContact CB-CE1 4.42Å; V203-Y248 HydrophobicContact CG1-CD1 3.99Å; V203-Y248 HydrophobicContact CG1-CE1 4.27Å; A204-Y248 HydrophobicContact CB-CE1 4.13Å; A204-Y248 WeakPolarHBondContact CB-OH 3.43Å; Y248-Y256 CarbonylContact C-O 3.29Å; Y248-Y256 VanDerWaalsContact CA-O 3.27Å; Y248-Y256 WeakPolarHBondContact CA-O 3.49Å; Y248-Y256 VanDerWaalsContact CB-O 3.25Å; Y248-Y256 WeakPolarHBondContact CB-O 3.41Å; Y248-W257 HydrophobicContact CD1-CE3 4.38Å; Y248-W257 HydrophobicContact CD1-CH2 4.4Å; Y248-W257 AromaticContact CD1-CZ3 3.73Å; Y248-W257 HydrophobicContact CD1-CZ3 3.73Å; Y248-W257 HydrophobicContact CG-CE3 4.49Å; Y248-W257 HydrophobicContact CG-CZ3 4.19Å
249G98.5Very high97.2Very high17 Ų1741.5 Ų41.518%0.17523%0.229CC..EExtended strand (participates in β ladder)trans-162.1-16217800000112.6L255 Y256 R277G249-L255 WeakPolarHBondContact O-CA 3.16Å; G249-Y256 PolarHBondContact N-O 3.12Å; G249-Y256 PolarHBondContact O-N 3.46Å; G249-R277 PolarHBondContact O-NH2 3.46Å; G249-R277 VanDerWaalsContact O-NH2 3.16Å
250E97.8Very high97.4Very high119 Ų11943.9 Ų43.956%0.55624%0.237SC*.EExtended strand (participates in β ladder)trans-144.4137.3175.1-170.6-176.1136.600109.1G253 L254 L255 Y256E250-G253 VanDerWaalsContact OE1-CA 3.26Å; E250-G253 WeakPolarHBondContact OE1-CA 3.48Å; E250-G253 PolarHBondContact OE1-N 3.19Å; E250-L254 WeakPolarHBondContact CA-O 3.08Å; E250-L255 HydrophobicContact CB-CD2 3.92Å; E250-L255 HydrophobicContact CG-CD2 3.78Å; E250-L255 WeakPolarHBondContact OE2-CD2 3.31Å; E250-Y256 VanDerWaalsContact C-CE1 3.43Å
251Q92.4Very high97.4Very high102 Ų10243.3 Ų43.348%0.47723%0.234SC..EExtended strand (participates in β ladder)trans-135119.9172.7179.1176.5-23.600109.3G253 L254 Y256Q251-G253 VanDerWaalsContact C-N 3.31Å; Q251-G253 PolarHBondContact O-N 3.44Å; Q251-L254 PolarHBondContact N-O 3.45Å; Q251-L254 VanDerWaalsContact O-CB 3.31Å; Q251-L254 WeakPolarHBondContact O-CB 3.43Å; Q251-L254 PolarHBondContact O-N 2.95Å; Q251-Y256 HydrophobicContact CB-CD1 4.29Å; Q251-Y256 HydrophobicContact CB-CE1 3.79Å
252N92.3Very high97.2Very high159 Ų15945.1 Ų45.185%0.8525%0.247SC*.THydrogen-bonded Turntrans53.642.8179.6-56.3-36.2000113.5L254N252-L254 PolarHBondContact O-N 3.47Å
253G93.9Very high96.9Very high58 Ų5846 Ų4660%0.59825%0.249SC*.THydrogen-bonded Turntrans80-1.1-177.300000114.8E250 Q251E250-G253 VanDerWaalsContact OE1-CA 3.26Å; E250-G253 WeakPolarHBondContact OE1-CA 3.48Å; E250-G253 PolarHBondContact OE1-N 3.19Å; Q251-G253 VanDerWaalsContact C-N 3.31Å; Q251-G253 PolarHBondContact O-N 3.44Å
254L96.3Very high96.4Very high38 Ų3848 Ų4820%0.19927%0.27CS..EExtended strand (participates in β ladder)trans-102110.9179.7-170.763.2000110.6T69 V226 E250 Q251 N252 E276T69-L254 HydrophobicContact CG2-CD2 3.66Å; V226-L254 HydrophobicContact CB-CD2 3.51Å; V226-L254 HydrophobicContact CB-CG 4.29Å; V226-L254 HydrophobicContact CG1-CD2 3.67Å; V226-L254 HydrophobicContact CG1-CG 4.02Å; V226-L254 HydrophobicContact CG2-CD2 3.86Å; V226-L254 HydrophobicContact CG2-CG 4.37Å; E250-L254 WeakPolarHBondContact CA-O 3.08Å; Q251-L254 PolarHBondContact N-O 3.45Å; Q251-L254 VanDerWaalsContact O-CB 3.31Å; Q251-L254 WeakPolarHBondContact O-CB 3.43Å; Q251-L254 PolarHBondContact O-N 2.95Å; N252-L254 PolarHBondContact O-N 3.47Å; L254-E276 HydrophobicContact CD1-CG 3.99Å; L254-E276 WeakPolarHBondContact CD1-OE1 3.09Å
255L98.4Very high95.9Very high62 Ų6251.9 Ų51.933%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-70.8137.7175.9-55.8174.5000110.3G249 E250 R277G249-L255 WeakPolarHBondContact O-CA 3.16Å; E250-L255 HydrophobicContact CB-CD2 3.92Å; E250-L255 HydrophobicContact CG-CD2 3.78Å; E250-L255 WeakPolarHBondContact OE2-CD2 3.31Å; L255-R277 HydrophobicContact CB-CB 4.09Å; L255-R277 VanDerWaalsContact CD2-NH2 3.28Å; L255-R277 PolarHBondContact O-N 2.89Å
256Y98.8Very high95.4Very high39 Ų3958.2 Ų58.215%0.15333%0.327CS..EExtended strand (participates in β ladder)trans-140.7157.9178.562.3-99.7000113V226 Y248 G249 E250 Q251 I258 L274 I275 R277V226-Y256 HydrophobicContact CG2-CD1 3.97Å; V226-Y256 HydrophobicContact CG2-CG 4.2Å; Y248-Y256 CarbonylContact C-O 3.29Å; Y248-Y256 VanDerWaalsContact CA-O 3.27Å; Y248-Y256 WeakPolarHBondContact CA-O 3.49Å; Y248-Y256 VanDerWaalsContact CB-O 3.25Å; Y248-Y256 WeakPolarHBondContact CB-O 3.41Å; G249-Y256 PolarHBondContact N-O 3.12Å; G249-Y256 PolarHBondContact O-N 3.46Å; E250-Y256 VanDerWaalsContact C-CE1 3.43Å; Q251-Y256 HydrophobicContact CB-CD1 4.29Å; Q251-Y256 HydrophobicContact CB-CE1 3.79Å; Y256-I258 HydrophobicContact CD2-CG1 4.08Å; Y256-I258 HydrophobicContact CE2-CD1 4.24Å; Y256-I258 HydrophobicContact CE2-CG1 3.7Å; Y256-L274 HydrophobicContact CD1-CD1 4.48Å; Y256-L274 HydrophobicContact CD2-CB 4.29Å; Y256-L274 HydrophobicContact CD2-CD1 4.05Å; Y256-L274 HydrophobicContact CD2-CD2 3.76Å; Y256-L274 HydrophobicContact CD2-CG 4.25Å; Y256-L274 HydrophobicContact CE2-CD1 4.13Å; Y256-L274 HydrophobicContact CE2-CD2 3.92Å; Y256-L274 HydrophobicContact CG-CB 4.37Å; Y256-L274 HydrophobicContact CG-CD1 4.24Å; Y256-I275 CarbonylContact C-O 3.13Å; Y256-I275 VanDerWaalsContact CA-O 3.24Å; Y256-I275 WeakPolarHBondContact CA-O 3.42Å; Y256-R277 PolarHBondContact O-NE 3.48Å
257W98.9Very high95.2Very high0 Ų055.8 Ų55.80%031%0.312CS..EExtended strand (participates in β ladder)trans-92.9145.8162-68.3108.2000110.3E196 M199 V200 V203 A245 Y248 V259 L274 I275 R277E196-W257 HydrophobicContact CG-CZ2 4.01Å; E196-W257 PolarHBondContact OE1-NE1 3.48Å; M199-W257 HydrophobicContact CB-CH2 3.83Å; M199-W257 HydrophobicContact CB-CZ2 3.95Å; V200-W257 HydrophobicContact CB-CH2 4.18Å; V200-W257 HydrophobicContact CG2-CH2 3.48Å; V200-W257 VanDerWaalsContact CG2-CH2 3.48Å; V200-W257 HydrophobicContact CG2-CZ2 3.67Å; V200-W257 HydrophobicContact CG2-CZ3 4.49Å; V203-W257 HydrophobicContact CB-CZ3 4.26Å; V203-W257 HydrophobicContact CG2-CZ3 3.98Å; A245-W257 HydrophobicContact CB-CE3 4.1Å; A245-W257 HydrophobicContact CB-CZ3 4.49Å; Y248-W257 HydrophobicContact CD1-CE3 4.38Å; Y248-W257 HydrophobicContact CD1-CH2 4.4Å; Y248-W257 AromaticContact CD1-CZ3 3.73Å; Y248-W257 HydrophobicContact CD1-CZ3 3.73Å; Y248-W257 HydrophobicContact CG-CE3 4.49Å; Y248-W257 HydrophobicContact CG-CZ3 4.19Å; W257-V259 HydrophobicContact CB-CG2 3.71Å; W257-L274 VanDerWaalsContact O-CA 3.23Å; W257-L274 WeakPolarHBondContact O-CA 3.28Å; W257-I275 HydrophobicContact CB-CG2 3.78Å; W257-I275 HydrophobicContact CG-CG2 4.39Å; W257-I275 PolarHBondContact N-O 2.88Å; W257-I275 PolarHBondContact O-N 3.44Å; W257-R277 HydrophobicContact CD2-CG 4.24Å; W257-R277 HydrophobicContact CG-CB 4.19Å; W257-R277 HydrophobicContact CG-CG 4.41Å; W257-R277 HydrophobicContact CZ2-CG 3.93Å; W257-R277 VanDerWaalsContact NE1-CG 3.33Å
258I98.9Very high95.1Very high55 Ų5555.3 Ų55.328%0.28231%0.307SS..EExtended strand (participates in β ladder)trans-99.4119.4166.7-53.5170.8000106.6V246 G247 Y256 Y272 L274V246-I258 HydrophobicContact CG2-CB 4.14Å; V246-I258 HydrophobicContact CG2-CG2 3.73Å; V246-I258 WeakPolarHBondContact CG2-O 3.29Å; V246-I258 PolarHBondContact N-O 2.86Å; G247-I258 PolarHBondContact O-N 3.02Å; Y256-I258 HydrophobicContact CD2-CG1 4.08Å; Y256-I258 HydrophobicContact CE2-CD1 4.24Å; Y256-I258 HydrophobicContact CE2-CG1 3.7Å; I258-Y272 HydrophobicContact CG2-CD1 4.28Å; I258-L274 HydrophobicContact CB-CD2 4.24Å; I258-L274 HydrophobicContact CG1-CD2 3.86Å; I258-L274 HydrophobicContact CG2-CD2 4.34Å
259V98.9Very high95Very high0 Ų054.7 Ų54.70%031%0.308CS..EExtended strand (participates in β ladder)trans-128.4126-168.3-1710000111F211 V243 L244 W257 Y272 F273 I275F211-V259 HydrophobicContact CE1-CG1 3.75Å; F211-V259 HydrophobicContact CE1-CG2 3.97Å; F211-V259 HydrophobicContact CZ-CB 4.47Å; F211-V259 HydrophobicContact CZ-CG1 3.73Å; F211-V259 HydrophobicContact CZ-CG2 3.86Å; V243-V259 HydrophobicContact CB-CG1 3.66Å; V243-V259 HydrophobicContact CG2-CG1 3.55Å; L244-V259 CarbonylContact O-C 3.57Å; L244-V259 WeakPolarHBondContact O-CA 3.45Å; L244-V259 WeakPolarHBondContact O-CG1 3.33Å; W257-V259 HydrophobicContact CB-CG2 3.71Å; V259-Y272 CarbonylContact O-C 3.52Å; V259-Y272 WeakPolarHBondContact O-CA 3.45Å; V259-Y272 WeakPolarHBondContact O-CB 3.47Å; V259-Y272 WeakPolarHBondContact O-CD1 3.23Å; V259-F273 HydrophobicContact CB-CD1 3.93Å; V259-F273 HydrophobicContact CB-CD2 4.26Å; V259-F273 HydrophobicContact CB-CE1 3.54Å; V259-F273 HydrophobicContact CB-CE2 3.9Å; V259-F273 HydrophobicContact CB-CG 4.29Å; V259-F273 HydrophobicContact CB-CZ 3.55Å; V259-F273 HydrophobicContact CG1-CD1 4.21Å; V259-F273 HydrophobicContact CG1-CE1 3.36Å; V259-F273 HydrophobicContact CG1-CE2 4.18Å; V259-F273 HydrophobicContact CG1-CZ 3.36Å; V259-F273 HydrophobicContact CG2-CE2 4.1Å; V259-F273 HydrophobicContact CG2-CZ 4.11Å; V259-F273 PolarHBondContact N-O 3.21Å; V259-F273 PolarHBondContact O-N 3.05Å; V259-I275 HydrophobicContact CG2-CG2 3.79Å
260K97.9Very high94.9Very high79 Ų7960.3 Ų60.334%0.34333%0.334SS..EExtended strand (participates in β ladder)trans-79.9127.7172.4-172.8-177176.2-171.30109.1L244 V246 Y272L244-K260 HydrophobicContact CB-CB 4.28Å; L244-K260 HydrophobicContact CD2-CD 4.37Å; L244-K260 PolarHBondContact N-O 3.3Å; L244-K260 PolarHBondContact O-N 2.98Å; V246-K260 HydrophobicContact CG1-CB 4.11Å; K260-Y272 HydrophobicContact CB-CD1 3.94Å; K260-Y272 HydrophobicContact CB-CE1 3.45Å; K260-Y272 VanDerWaalsContact CB-CE1 3.45Å; K260-Y272 HydrophobicContact CG-CE1 3.86Å
261N95Very high94.7Very high14 Ų1454.9 Ų54.98%0.07531%0.31CS..  trans-106.2170.4174.9-160.52.8000111.1H241 W263 W267 G271 F273H241-N261 PolarHBondContact NE2-OD1 3.43Å; N261-W263 WeakPolarHBondContact ND2-CZ3 3.39Å; N261-W267 HydrophobicContact CB-CE3 4.04Å; N261-W267 HydrophobicContact CB-CZ3 3.73Å; N261-W267 VanDerWaalsContact ND2-CH2 3.32Å; N261-W267 WeakPolarHBondContact ND2-CH2 3.31Å; N261-W267 WeakPolarHBondContact ND2-CZ3 3.24Å; N261-G271 WeakPolarHBondContact CB-O 3.39Å; N261-G271 PolarHBondContact N-O 3.36Å; N261-F273 HydrophobicContact CB-CD1 4.15Å; N261-F273 HydrophobicContact CB-CE1 4.13Å
262S92.5Very high95Very high39 Ų3954.3 Ų54.327%0.27330%0.304SS..SBendtrans-114.223.3-177.867.90000113.6
263W91.9Very high95.3Very high26 Ų2646.8 Ų46.810%0.09826%0.264CS..SBendtrans-102.424.5179.8-59.9-21.8000113.4Q76 F77 L90 V215 F219 L220 H241 N261 W267Q76-W263 PolarHBondContact NE2-O 2.75Å; F77-W263 HydrophobicContact CE2-CB 4.08Å; F77-W263 AromaticContact CE2-CD2 3.85Å; F77-W263 HydrophobicContact CE2-CD2 3.85Å; F77-W263 AromaticContact CE2-CE3 3.71Å; F77-W263 HydrophobicContact CE2-CE3 3.71Å; F77-W263 HydrophobicContact CE2-CG 4.03Å; F77-W263 HydrophobicContact CE2-CZ3 4.47Å; F77-W263 HydrophobicContact CZ-CB 4.04Å; F77-W263 AromaticContact CZ-CD2 3.94Å; F77-W263 HydrophobicContact CZ-CD2 3.94Å; F77-W263 HydrophobicContact CZ-CE3 4.27Å; F77-W263 AromaticContact CZ-CG 3.82Å; F77-W263 HydrophobicContact CZ-CG 3.82Å; L90-W263 HydrophobicContact CD2-CZ2 3.95Å; V215-W263 HydrophobicContact CG1-CH2 4.1Å; V215-W263 HydrophobicContact CG2-CH2 4.07Å; V215-W263 HydrophobicContact CG2-CZ2 4.49Å; F219-W263 AromaticContact CD1-CH2 3.85Å; F219-W263 HydrophobicContact CD1-CH2 3.85Å; F219-W263 AromaticContact CD1-CZ3 3.87Å; F219-W263 HydrophobicContact CD1-CZ3 3.87Å; F219-W263 AromaticContact CE1-CH2 3.75Å; F219-W263 HydrophobicContact CE1-CH2 3.75Å; F219-W263 AromaticContact CE1-CZ3 3.65Å; F219-W263 HydrophobicContact CE1-CZ3 3.65Å; L220-W263 HydrophobicContact CD2-CH2 3.74Å; L220-W263 HydrophobicContact CD2-CZ2 4.44Å; L220-W263 HydrophobicContact CD2-CZ3 3.98Å; H241-W263 AromaticContact CD2-CZ2 3.88Å; H241-W263 AromaticContact CE1-CE2 3.66Å; H241-W263 AromaticContact CE1-CZ2 3.59Å; H241-W263 AromaticContact CE1-NE1 3.48Å; H241-W263 PolarHBondContact CE1-NE1 3.25Å; H241-W263 AromaticContact ND1-CZ2 3.96Å; H241-W263 AromaticContact NE2-CE2 3.76Å; H241-W263 AromaticContact NE2-CZ2 3.53Å; H241-W263 AromaticContact NE2-NE1 3.97Å; N261-W263 WeakPolarHBondContact ND2-CZ3 3.39Å; W263-W267 HydrophobicContact CB-CB 4.2Å; W263-W267 HydrophobicContact CB-CG 4.18Å; W263-W267 AromaticContact CE3-CD1 3.91Å; W263-W267 AromaticContact CE3-CD2 3.85Å; W263-W267 HydrophobicContact CE3-CD2 3.85Å; W263-W267 AromaticContact CE3-CE2 3.45Å; W263-W267 VanDerWaalsContact CE3-CE2 3.45Å; W263-W267 HydrophobicContact CE3-CG 4.13Å; W263-W267 AromaticContact CE3-CZ2 3.82Å; W263-W267 HydrophobicContact CE3-CZ2 3.82Å; W263-W267 AromaticContact CE3-NE1 3.5Å; W263-W267 AromaticContact CZ3-CE2 3.72Å; W263-W267 HydrophobicContact CZ3-CH2 4.45Å; W263-W267 AromaticContact CZ3-CZ2 3.66Å; W263-W267 HydrophobicContact CZ3-CZ2 3.66Å; W263-W267 AromaticContact CZ3-NE1 3.81Å
264G88.3Confident95.5Very high45 Ų4545 Ų4546%0.46424%0.241SC..  trans78.3161.9179.400000114Q266 W267 G271G264-Q266 VanDerWaalsContact C-N 3.25Å; G264-Q266 PolarHBondContact O-N 2.86Å; G264-W267 PolarHBondContact O-N 3.38Å; G264-G271 WeakPolarHBondContact O-CA 3.43Å
265S87.8Confident95.6Very high84 Ų8443.2 Ų43.259%0.58723%0.231SC*.THydrogen-bonded Turntrans-70.8-16.7-172.956.20000114.4W267 N270 G271S265-W267 VanDerWaalsContact C-N 3.31Å; S265-N270 CarbonylContact O-C 3.59Å; S265-N270 VanDerWaalsContact O-C 3.29Å; S265-N270 WeakPolarHBondContact O-CA 3.49Å; S265-G271 PolarHBondContact O-N 3.2Å
266Q88.6Confident95.7Very high134 Ų13441.2 Ų41.263%0.62622%0.22SC*.THydrogen-bonded Turntrans-78.4-18.3177.5-65.6-173.2-20.400113G264G264-Q266 VanDerWaalsContact C-N 3.25Å; G264-Q266 PolarHBondContact O-N 2.86Å
267W94.3Very high95.7Very high0 Ų041.2 Ų41.20%022%0.22CC..SBendtrans-82143.8176.3-178.291.4000110.8F77 F219 L220 Y222 N261 W263 G264 S265 E269 G271 F273F77-W267 AromaticContact CE2-CD1 3.87Å; F219-W267 HydrophobicContact CD1-CZ2 4.25Å; F219-W267 AromaticContact CE1-CH2 3.76Å; F219-W267 HydrophobicContact CE1-CH2 3.76Å; F219-W267 AromaticContact CE1-CZ2 3.68Å; F219-W267 HydrophobicContact CE1-CZ2 3.68Å; F219-W267 HydrophobicContact CE2-CH2 4.22Å; F219-W267 AromaticContact CZ-CH2 3.49Å; F219-W267 HydrophobicContact CZ-CH2 3.49Å; F219-W267 VanDerWaalsContact CZ-CH2 3.49Å; F219-W267 AromaticContact CZ-CZ2 3.85Å; F219-W267 HydrophobicContact CZ-CZ2 3.85Å; L220-W267 PolarHBondContact O-NE1 3.12Å; Y222-W267 AromaticContact CD1-CH2 3.84Å; Y222-W267 HydrophobicContact CD1-CH2 3.84Å; Y222-W267 HydrophobicContact CD1-CZ2 4.11Å; Y222-W267 HydrophobicContact CD1-CZ3 4.29Å; Y222-W267 HydrophobicContact CG-CH2 4.34Å; Y222-W267 HydrophobicContact CG-CZ2 4.35Å; N261-W267 HydrophobicContact CB-CE3 4.04Å; N261-W267 HydrophobicContact CB-CZ3 3.73Å; N261-W267 VanDerWaalsContact ND2-CH2 3.32Å; N261-W267 WeakPolarHBondContact ND2-CH2 3.31Å; N261-W267 WeakPolarHBondContact ND2-CZ3 3.24Å; W263-W267 HydrophobicContact CB-CB 4.2Å; W263-W267 HydrophobicContact CB-CG 4.18Å; W263-W267 AromaticContact CE3-CD1 3.91Å; W263-W267 AromaticContact CE3-CD2 3.85Å; W263-W267 HydrophobicContact CE3-CD2 3.85Å; W263-W267 AromaticContact CE3-CE2 3.45Å; W263-W267 VanDerWaalsContact CE3-CE2 3.45Å; W263-W267 HydrophobicContact CE3-CG 4.13Å; W263-W267 AromaticContact CE3-CZ2 3.82Å; W263-W267 HydrophobicContact CE3-CZ2 3.82Å; W263-W267 AromaticContact CE3-NE1 3.5Å; W263-W267 AromaticContact CZ3-CE2 3.72Å; W263-W267 HydrophobicContact CZ3-CH2 4.45Å; W263-W267 AromaticContact CZ3-CZ2 3.66Å; W263-W267 HydrophobicContact CZ3-CZ2 3.66Å; W263-W267 AromaticContact CZ3-NE1 3.81Å; G264-W267 PolarHBondContact O-N 3.38Å; S265-W267 VanDerWaalsContact C-N 3.31Å; W267-E269 PolarHBondContact O-N 2.71Å; W267-G271 VanDerWaalsContact O-CA 3.27Å; W267-G271 WeakPolarHBondContact O-CA 3.33Å; W267-G271 PolarHBondContact O-N 3.17Å; W267-F273 HydrophobicContact CH2-CB 3.83Å; W267-F273 AromaticContact CH2-CD1 3.76Å; W267-F273 HydrophobicContact CH2-CD1 3.76Å; W267-F273 AromaticContact CH2-CG 3.97Å; W267-F273 HydrophobicContact CH2-CG 3.97Å; W267-F273 HydrophobicContact CZ3-CB 3.95Å; W267-F273 AromaticContact CZ3-CD1 3.75Å; W267-F273 HydrophobicContact CZ3-CD1 3.75Å; W267-F273 HydrophobicContact CZ3-CG 4.21Å
268G97.1Very high95.6Very high2 Ų243.9 Ų43.92%0.02125%0.247CC..THydrogen-bonded Turntrans56.8-135.3178.900000113.6K223K223-G268 PolarHBondContact NZ-O 2.47Å; K223-G268 CarbonylContact O-C 3.55Å
269E97Very high95.6Very high76 Ų7646.4 Ų46.436%0.35526%0.256SS..BIsolated β-bridgetrans-101.283.8178.9-62.2-175.487.300109.2Y222 K223 S224 G225 W267 G271 Y272Y222-E269 HydrophobicContact CE1-CG 4.38Å; Y222-E269 PolarHBondContact OH-OE2 2.86Å; K223-E269 WeakPolarHBondContact O-CG 3.31Å; S224-E269 WeakPolarHBondContact CA-OE2 3.33Å; G225-E269 PolarHBondContact N-OE2 2.78Å; W267-E269 PolarHBondContact O-N 2.71Å; E269-G271 VanDerWaalsContact C-N 3.27Å; E269-G271 PolarHBondContact O-N 2.84Å; E269-Y272 PolarHBondContact N-O 3.05Å; E269-Y272 WeakPolarHBondContact O-CB 3.32Å; E269-Y272 PolarHBondContact O-N 3.06Å
270N95.5Very high95.6Very high135 Ų13547.5 Ų47.572%0.72226%0.262SS*.THydrogen-bonded Turntrans5835.4-177.1-57.6-42000113.7S265 Y272S265-N270 CarbonylContact O-C 3.59Å; S265-N270 VanDerWaalsContact O-C 3.29Å; S265-N270 WeakPolarHBondContact O-CA 3.49Å; N270-Y272 WeakPolarHBondContact O-CD2 3.26Å
271G93.8Very high95.6Very high6 Ų644.1 Ų44.16%0.06225%0.248CC..THydrogen-bonded Turntrans88.90.4-175.700000114.4N261 G264 S265 W267 E269N261-G271 WeakPolarHBondContact CB-O 3.39Å; N261-G271 PolarHBondContact N-O 3.36Å; G264-G271 WeakPolarHBondContact O-CA 3.43Å; S265-G271 PolarHBondContact O-N 3.2Å; W267-G271 VanDerWaalsContact O-CA 3.27Å; W267-G271 WeakPolarHBondContact O-CA 3.33Å; W267-G271 PolarHBondContact O-N 3.17Å; E269-G271 VanDerWaalsContact C-N 3.27Å; E269-G271 PolarHBondContact O-N 2.84Å
272Y98.6Very high95.8Very high89 Ų8943.5 Ų43.535%0.34924%0.244SC..EExtended strand (participates in β ladder)trans-108.5165.4177-66.3-102.9000111.7V246 I258 V259 K260 E269 N270V246-Y272 HydrophobicContact CG1-CE1 4.49Å; V246-Y272 HydrophobicContact CG2-CD1 4.19Å; V246-Y272 HydrophobicContact CG2-CE1 3.8Å; I258-Y272 HydrophobicContact CG2-CD1 4.28Å; V259-Y272 CarbonylContact O-C 3.52Å; V259-Y272 WeakPolarHBondContact O-CA 3.45Å; V259-Y272 WeakPolarHBondContact O-CB 3.47Å; V259-Y272 WeakPolarHBondContact O-CD1 3.23Å; K260-Y272 HydrophobicContact CB-CD1 3.94Å; K260-Y272 HydrophobicContact CB-CE1 3.45Å; K260-Y272 VanDerWaalsContact CB-CE1 3.45Å; K260-Y272 HydrophobicContact CG-CE1 3.86Å; E269-Y272 PolarHBondContact N-O 3.05Å; E269-Y272 WeakPolarHBondContact O-CB 3.32Å; E269-Y272 PolarHBondContact O-N 3.06Å; N270-Y272 WeakPolarHBondContact O-CD2 3.26Å
273F98.8Very high96Very high1 Ų141.6 Ų41.60%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-144.7159.1168.865.7-80.3000111.1F213 F219 Y222 V243 V259 N261 W267 I275F213-F273 AromaticContact CE1-CZ 3.97Å; F213-F273 HydrophobicContact CE1-CZ 3.97Å; F213-F273 HydrophobicContact CZ-CE2 4.39Å; F213-F273 AromaticContact CZ-CZ 3.92Å; F213-F273 HydrophobicContact CZ-CZ 3.92Å; F219-F273 HydrophobicContact CE2-CD1 4.48Å; F219-F273 AromaticContact CE2-CD2 3.55Å; F219-F273 HydrophobicContact CE2-CD2 3.55Å; F219-F273 AromaticContact CE2-CE2 3.6Å; F219-F273 HydrophobicContact CE2-CE2 3.6Å; F219-F273 AromaticContact CE2-CG 4Å; F219-F273 HydrophobicContact CE2-CG 4Å; F219-F273 HydrophobicContact CE2-CZ 4.08Å; F219-F273 AromaticContact CZ-CD1 3.9Å; F219-F273 HydrophobicContact CZ-CD1 3.9Å; F219-F273 AromaticContact CZ-CD2 3.76Å; F219-F273 HydrophobicContact CZ-CD2 3.76Å; F219-F273 AromaticContact CZ-CE1 3.77Å; F219-F273 HydrophobicContact CZ-CE1 3.77Å; F219-F273 AromaticContact CZ-CE2 3.63Å; F219-F273 HydrophobicContact CZ-CE2 3.63Å; F219-F273 AromaticContact CZ-CG 3.87Å; F219-F273 HydrophobicContact CZ-CG 3.87Å; F219-F273 AromaticContact CZ-CZ 3.61Å; F219-F273 HydrophobicContact CZ-CZ 3.61Å; Y222-F273 HydrophobicContact CD1-CB 3.67Å; Y222-F273 HydrophobicContact CE1-CB 3.29Å; Y222-F273 HydrophobicContact CE2-CB 4.19Å; Y222-F273 HydrophobicContact CG-CB 4.31Å; V243-F273 HydrophobicContact CG1-CE1 4.22Å; V243-F273 HydrophobicContact CG1-CZ 4.46Å; V243-F273 HydrophobicContact CG2-CZ 4.29Å; V259-F273 HydrophobicContact CB-CD1 3.93Å; V259-F273 HydrophobicContact CB-CD2 4.26Å; V259-F273 HydrophobicContact CB-CE1 3.54Å; V259-F273 HydrophobicContact CB-CE2 3.9Å; V259-F273 HydrophobicContact CB-CG 4.29Å; V259-F273 HydrophobicContact CB-CZ 3.55Å; V259-F273 HydrophobicContact CG1-CD1 4.21Å; V259-F273 HydrophobicContact CG1-CE1 3.36Å; V259-F273 HydrophobicContact CG1-CE2 4.18Å; V259-F273 HydrophobicContact CG1-CZ 3.36Å; V259-F273 HydrophobicContact CG2-CE2 4.1Å; V259-F273 HydrophobicContact CG2-CZ 4.11Å; V259-F273 PolarHBondContact N-O 3.21Å; V259-F273 PolarHBondContact O-N 3.05Å; N261-F273 HydrophobicContact CB-CD1 4.15Å; N261-F273 HydrophobicContact CB-CE1 4.13Å; W267-F273 HydrophobicContact CH2-CB 3.83Å; W267-F273 AromaticContact CH2-CD1 3.76Å; W267-F273 HydrophobicContact CH2-CD1 3.76Å; W267-F273 AromaticContact CH2-CG 3.97Å; W267-F273 HydrophobicContact CH2-CG 3.97Å; W267-F273 HydrophobicContact CZ3-CB 3.95Å; W267-F273 AromaticContact CZ3-CD1 3.75Å; W267-F273 HydrophobicContact CZ3-CD1 3.75Å; W267-F273 HydrophobicContact CZ3-CG 4.21Å; F273-I275 HydrophobicContact CD2-CB 4.07Å; F273-I275 HydrophobicContact CD2-CG2 4.34Å; F273-I275 HydrophobicContact CE2-CB 3.85Å; F273-I275 HydrophobicContact CE2-CD1 4.4Å; F273-I275 HydrophobicContact CE2-CG2 3.85Å
274L98.8Very high96.4Very high22 Ų2240.4 Ų40.412%0.11523%0.226CC..EExtended strand (participates in β ladder)trans-102.6137.5167.8-49.5-176.9000109.4Y222 G225 V226 Y227 Y256 W257 I258Y222-L274 PolarHBondContact OH-N 3.42Å; G225-L274 WeakPolarHBondContact O-CB 3.43Å; V226-L274 HydrophobicContact CG2-CB 4.32Å; V226-L274 HydrophobicContact CG2-CD1 4.34Å; Y227-L274 WeakPolarHBondContact CB-O 3.46Å; Y227-L274 PolarHBondContact N-O 2.86Å; Y256-L274 HydrophobicContact CD1-CD1 4.48Å; Y256-L274 HydrophobicContact CD2-CB 4.29Å; Y256-L274 HydrophobicContact CD2-CD1 4.05Å; Y256-L274 HydrophobicContact CD2-CD2 3.76Å; Y256-L274 HydrophobicContact CD2-CG 4.25Å; Y256-L274 HydrophobicContact CE2-CD1 4.13Å; Y256-L274 HydrophobicContact CE2-CD2 3.92Å; Y256-L274 HydrophobicContact CG-CB 4.37Å; Y256-L274 HydrophobicContact CG-CD1 4.24Å; W257-L274 VanDerWaalsContact O-CA 3.23Å; W257-L274 WeakPolarHBondContact O-CA 3.28Å; I258-L274 HydrophobicContact CB-CD2 4.24Å; I258-L274 HydrophobicContact CG1-CD2 3.86Å; I258-L274 HydrophobicContact CG2-CD2 4.34Å
275I98.8Very high96.9Very high0 Ų038.3 Ų38.30%021%0.205CC..EExtended strand (participates in β ladder)trans-131.3140.7175.5-176.5167.1000110.1F213 Y227 Y256 W257 V259 F273 R277 M281 L284F213-I275 HydrophobicContact CD2-CD1 4.41Å; Y227-I275 HydrophobicContact CD1-CD1 3.91Å; Y227-I275 HydrophobicContact CD1-CG1 3.98Å; Y227-I275 HydrophobicContact CE1-CD1 4.38Å; Y227-I275 WeakPolarHBondContact O-CA 3.48Å; Y256-I275 CarbonylContact C-O 3.13Å; Y256-I275 VanDerWaalsContact CA-O 3.24Å; Y256-I275 WeakPolarHBondContact CA-O 3.42Å; W257-I275 HydrophobicContact CB-CG2 3.78Å; W257-I275 HydrophobicContact CG-CG2 4.39Å; W257-I275 PolarHBondContact N-O 2.88Å; W257-I275 PolarHBondContact O-N 3.44Å; V259-I275 HydrophobicContact CG2-CG2 3.79Å; F273-I275 HydrophobicContact CD2-CB 4.07Å; F273-I275 HydrophobicContact CD2-CG2 4.34Å; F273-I275 HydrophobicContact CE2-CB 3.85Å; F273-I275 HydrophobicContact CE2-CD1 4.4Å; F273-I275 HydrophobicContact CE2-CG2 3.85Å; I275-R277 PolarHBondContact O-N 3.46Å; I275-M281 HydrophobicContact CD1-CB 4.21Å; I275-M281 HydrophobicContact CD1-CG 3.87Å; I275-M281 HydrophobicContact CG1-CB 4.05Å; I275-M281 HydrophobicContact CG1-CG 3.74Å; I275-L284 HydrophobicContact CD1-CD2 4.08Å; I275-L284 HydrophobicContact CG1-CD2 4.23Å; I275-L284 HydrophobicContact CG2-CD2 4.24Å
276E98.7Very high97.4Very high19 Ų1934.7 Ų34.79%0.08918%0.18CC..EExtended strand (participates in β ladder)trans-57.4127.3-176.7-172.2175.3-156.800111.6V226 Y227 S228 L254 K279 M281V226-E276 HydrophobicContact CG1-CB 4.03Å; Y227-E276 PolarHBondContact O-N 3.4Å; S228-E276 WeakPolarHBondContact CB-OE2 3.47Å; L254-E276 HydrophobicContact CD1-CG 3.99Å; L254-E276 WeakPolarHBondContact CD1-OE1 3.09Å; E276-K279 HydrophobicContact CG-CD 4.26Å; E276-K279 WeakPolarHBondContact OE1-CD 3.33Å; E276-K279 WeakPolarHBondContact OE1-CE 3.42Å; E276-K279 IonicContact OE1-NZ 3.96Å; E276-K279 PolarHBondContact OE1-NZ 2.71Å; E276-K279 IonicContact OE2-NZ 2.65Å; E276-M281 HydrophobicContact CB-CE 4.24Å; E276-M281 WeakPolarHBondContact O-CB 3Å; E276-M281 WeakPolarHBondContact OE2-CE 3.36Å
277R98.7Very high97.8Very high39 Ų3930 Ų3015%0.14716%0.161CC..THydrogen-bonded Turntrans-100.9150.9-177.2176.816964.980.9-1111.6E196 G249 L255 Y256 W257 I275E196-R277 WeakPolarHBondContact OE1-CA 3.35Å; G249-R277 PolarHBondContact O-NH2 3.46Å; G249-R277 VanDerWaalsContact O-NH2 3.16Å; L255-R277 HydrophobicContact CB-CB 4.09Å; L255-R277 VanDerWaalsContact CD2-NH2 3.28Å; L255-R277 PolarHBondContact O-N 2.89Å; Y256-R277 PolarHBondContact O-NE 3.48Å; W257-R277 HydrophobicContact CD2-CG 4.24Å; W257-R277 HydrophobicContact CG-CB 4.19Å; W257-R277 HydrophobicContact CG-CG 4.41Å; W257-R277 HydrophobicContact CZ2-CG 3.93Å; W257-R277 VanDerWaalsContact NE1-CG 3.33Å; I275-R277 PolarHBondContact O-N 3.46Å
278G98.1Very high98Very high56 Ų5630.1 Ų30.158%0.57716%0.163SC*.THydrogen-bonded Turntrans84.515.717700000113.7E196E196-G278 PolarHBondContact OE1-N 2.8Å; E196-G278 VanDerWaalsContact OE2-CA 3.31Å; E196-G278 WeakPolarHBondContact OE2-CA 3.41Å; E196-G278 PolarHBondContact OE2-N 3.28Å
279K98.1Very high98.1Very high109 Ų10930.1 Ų30.147%0.47416%0.162SC..THydrogen-bonded Turntrans-129.44.6-177.8-66.7-164.6-178.31680113.4E196 K234 E276 M281E196-K279 PolarHBondContact OE2-N 3.33Å; K234-K279 WeakPolarHBondContact CE-O 3.47Å; K234-K279 PolarHBondContact NZ-O 3.07Å; E276-K279 HydrophobicContact CG-CD 4.26Å; E276-K279 WeakPolarHBondContact OE1-CD 3.33Å; E276-K279 WeakPolarHBondContact OE1-CE 3.42Å; E276-K279 IonicContact OE1-NZ 3.96Å; E276-K279 PolarHBondContact OE1-NZ 2.71Å; E276-K279 IonicContact OE2-NZ 2.65Å; K279-M281 PolarHBondContact O-N 3.08Å
280N98.4Very high98.1Very high22 Ų2228.8 Ų28.812%0.11815%0.154CC..THydrogen-bonded Turntrans46.447.4-166.5-17117.8000110.5N194 E196 K234 C282 G283 L284 A285N194-N280 PolarHBondContact OD1-ND2 3.24Å; E196-N280 PolarHBondContact OE2-N 3.17Å; K234-N280 HydrophobicContact CD-CB 4.49Å; K234-N280 VanDerWaalsContact CD-O 3.31Å; K234-N280 WeakPolarHBondContact CD-O 3.26Å; K234-N280 WeakPolarHBondContact CG-O 3.17Å; N280-C282 PolarHBondContact O-N 2.89Å; N280-G283 PolarHBondContact O-N 3.13Å; N280-G283 VanDerWaalsContact O-N 3.08Å; N280-G283 WeakPolarHBondContact OD1-CA 3.41Å; N280-L284 PolarHBondContact OD1-N 2.87Å; N280-A285 PolarHBondContact OD1-N 3.17Å
281M98.7Very high98.3Very high9 Ų923.5 Ų23.54%0.04413%0.126CC..G310 helixtrans-59.2125.7-173.2-178.855.667.200109.4S229 I275 E276 K279 G283 L284S229-M281 PolarHBondContact N-SD 3.14Å; S229-M281 VanDerWaalsContact N-SD 3.35Å; S229-M281 VanDerWaalsContact O-SD 3.38Å; I275-M281 HydrophobicContact CD1-CB 4.21Å; I275-M281 HydrophobicContact CD1-CG 3.87Å; I275-M281 HydrophobicContact CG1-CB 4.05Å; I275-M281 HydrophobicContact CG1-CG 3.74Å; E276-M281 HydrophobicContact CB-CE 4.24Å; E276-M281 WeakPolarHBondContact O-CB 3Å; E276-M281 WeakPolarHBondContact OE2-CE 3.36Å; K279-M281 PolarHBondContact O-N 3.08Å; M281-G283 PolarHBondContact O-N 3.14Å; M281-L284 HydrophobicContact CB-CD2 3.93Å; M281-L284 WeakPolarHBondContact O-CB 3.33Å; M281-L284 WeakPolarHBondContact O-CD2 3.31Å; M281-L284 WeakPolarHBondContact O-CG 3.25Å; M281-L284 PolarHBondContact O-N 3.02Å; M281-L284 VanDerWaalsContact O-N 3.08Å
282C98.6Very high98.5Very high0 Ų024.4 Ų24.40%013%0.129CC..G310 helixtrans52.926.1-176.6-51.90000115.3F213 E214 C232 H233 N280F213-C282 CarbonylContact C-O 3.57Å; F213-C282 WeakPolarHBondContact CA-O 3.44Å; F213-C282 HydrophobicContact CB-CB 4.23Å; F213-C282 WeakPolarHBondContact CB-O 3.43Å; F213-C282 HydrophobicContact CD2-CB 3.91Å; E214-C282 PolarHBondContact N-O 3.12Å; E214-C282 WeakPolarHBondContact O-CB 3.49Å; C232-C282 HydrophobicContact CB-CB 3.6Å; C232-C282 WeakPolarHBondContact CB-SG 3.49Å; C232-C282 WeakPolarHBondContact SG-CA 3.45Å; C232-C282 WeakPolarHBondContact SG-CB 3.26Å; C232-C282 PolarHBondContact SG-N 3.27Å; C232-C282 VanDerWaalsContact SG-N 3.39Å; C232-C282 CovalentContact SG-SG 2.05Å; C232-C282 PolarHBondContact SG-SG 3.42Å; H233-C282 CarbonylContact O-C 3.45Å; H233-C282 WeakPolarHBondContact O-CA 3.44Å; N280-C282 PolarHBondContact O-N 2.89Å
283G98.4Very high98.5Very high0 Ų020.8 Ų20.80%012%0.117CC..G310 helixtrans77.219179.200000114H233 N280 M281 A285 A286H233-G283 PolarHBondContact O-N 3.06Å; N280-G283 PolarHBondContact O-N 3.13Å; N280-G283 VanDerWaalsContact O-N 3.08Å; N280-G283 WeakPolarHBondContact OD1-CA 3.41Å; M281-G283 PolarHBondContact O-N 3.14Å; G283-A285 PolarHBondContact O-N 3.05Å; G283-A286 WeakPolarHBondContact O-CB 3.39Å; G283-A286 PolarHBondContact O-N 3.12Å
284L98.7Very high98.5Very high0 Ų021.9 Ų21.90%012%0.124CC..THydrogen-bonded Turntrans-56.6-22-175.967.182.1000115E196 M199 F211 A212 F213 I275 N280 M281E196-L284 HydrophobicContact CG-CD1 3.98Å; M199-L284 HydrophobicContact CE-CD1 4Å; M199-L284 HydrophobicContact SD-CD1 4.12Å; F211-L284 WeakPolarHBondContact CB-O 3.16Å; F211-L284 HydrophobicContact CD2-CB 3.64Å; F211-L284 WeakPolarHBondContact CD2-O 3.44Å; F211-L284 HydrophobicContact CE2-CB 3.52Å; F211-L284 HydrophobicContact CZ-CB 4.42Å; A212-L284 WeakPolarHBondContact O-CA 3.41Å; F213-L284 HydrophobicContact CB-CB 4.2Å; I275-L284 HydrophobicContact CD1-CD2 4.08Å; I275-L284 HydrophobicContact CG1-CD2 4.23Å; I275-L284 HydrophobicContact CG2-CD2 4.24Å; N280-L284 PolarHBondContact OD1-N 2.87Å; M281-L284 HydrophobicContact CB-CD2 3.93Å; M281-L284 WeakPolarHBondContact O-CB 3.33Å; M281-L284 WeakPolarHBondContact O-CD2 3.31Å; M281-L284 WeakPolarHBondContact O-CG 3.25Å; M281-L284 PolarHBondContact O-N 3.02Å; M281-L284 VanDerWaalsContact O-N 3.08Å
285A98.6Very high98.5Very high1 Ų121.9 Ų21.91%0.00812%0.124CC..THydrogen-bonded Turntrans-97.59.8177.500000112.7N194 E196 M199 N280 G283N194-A285 VanDerWaalsContact CA-O 3.25Å; N194-A285 WeakPolarHBondContact CA-O 3.24Å; N194-A285 PolarHBondContact N-O 3.02Å; E196-A285 HydrophobicContact CB-CB 3.84Å; E196-A285 HydrophobicContact CG-CB 4.37Å; M199-A285 HydrophobicContact SD-CB 3.8Å; N280-A285 PolarHBondContact OD1-N 3.17Å; G283-A285 PolarHBondContact O-N 3.05Å
286A98.3Very high98.5Very high8 Ų823.4 Ų23.47%0.06613%0.132CC..SBendtrans-67.6-40.4-176.100000113.1L193 P236 V239 G283L193-A286 HydrophobicContact CD1-CB 4.37Å; L193-A286 WeakPolarHBondContact CD1-O 3.28Å; P236-A286 HydrophobicContact CB-CB 4.2Å; P236-A286 HydrophobicContact CG-CB 4Å; V239-A286 HydrophobicContact CG1-CB 4.12Å; G283-A286 WeakPolarHBondContact O-CB 3.39Å; G283-A286 PolarHBondContact O-N 3.12Å
287C97.5Very high98.4Very high35 Ų3523.7 Ų23.724%0.23614%0.136CC..SBendtrans-153.869.4-17649.40000111.1
288A98.8Very high98.4Very high3 Ų322.5 Ų22.53%0.02514%0.135CC..  trans-88.7142.7175.500000111.5I191 M199 V209 S210 F211I191-A288 HydrophobicContact CB-CB 4.14Å; I191-A288 WeakPolarHBondContact CB-O 3.46Å; I191-A288 HydrophobicContact CD1-CB 4.04Å; I191-A288 PolarHBondContact N-O 3.29Å; M199-A288 HydrophobicContact CE-CB 3.98Å; M199-A288 HydrophobicContact CG-CB 3.78Å; M199-A288 HydrophobicContact SD-CB 3.78Å; V209-A288 HydrophobicContact CG1-CB 3.86Å; S210-A288 CarbonylContact O-C 3.48Å; S210-A288 WeakPolarHBondContact O-CA 3.5Å; F211-A288 HydrophobicContact CB-CB 4Å
289S98.8Very high98.5Very high2 Ų219.8 Ų19.81%0.01410%0.098CC..BIsolated β-bridgetrans-155.8160.5179.5600000112.4S147 V189 S210S147-S289 PolarHBondContact N-OG 3.37Å; V189-S289 CarbonylContact O-C 3.56Å; V189-S289 WeakPolarHBondContact O-CA 3.21Å; V189-S289 VanDerWaalsContact O-CB 3.28Å; V189-S289 WeakPolarHBondContact O-CB 3.23Å; S210-S289 WeakPolarHBondContact CA-O 3.48Å; S210-S289 VanDerWaalsContact CB-O 3.28Å; S210-S289 WeakPolarHBondContact CB-O 3.28Å; S210-S289 PolarHBondContact N-O 3.35Å; S210-S289 PolarHBondContact O-N 3.21Å
290Y98.5Very high98.5Very high48 Ų4811.6 Ų11.619%0.1886%0.064CC..  trans-153.70171.565.1-86.3000111.9V189 I191 A202 Y206 N207 V209V189-Y290 HydrophobicContact CB-CD1 4.08Å; V189-Y290 HydrophobicContact CB-CD2 4.33Å; V189-Y290 HydrophobicContact CB-CE1 3.73Å; V189-Y290 HydrophobicContact CB-CE2 4.04Å; V189-Y290 HydrophobicContact CB-CG 4.38Å; V189-Y290 HydrophobicContact CG1-CD1 4.29Å; V189-Y290 HydrophobicContact CG1-CE1 3.56Å; V189-Y290 HydrophobicContact CG2-CD2 4.43Å; V189-Y290 HydrophobicContact CG2-CE1 4.4Å; V189-Y290 HydrophobicContact CG2-CE2 3.9Å; V189-Y290 PolarHBondContact N-O 3.47Å; V189-Y290 PolarHBondContact O-N 3.25Å; V189-Y290 VanDerWaalsContact O-N 3.11Å; I191-Y290 HydrophobicContact CD1-CD1 4.47Å; I191-Y290 HydrophobicContact CD1-CE1 4.4Å; A202-Y290 HydrophobicContact CB-CD1 4.21Å; A202-Y290 HydrophobicContact CB-CE1 3.6Å; Y206-Y290 HydrophobicContact CD2-CE2 4.44Å; Y206-Y290 VanDerWaalsContact CD2-OH 3.24Å; Y206-Y290 WeakPolarHBondContact CD2-OH 3.25Å; N207-Y290 WeakPolarHBondContact ND2-CB 3.49Å; N207-Y290 WeakPolarHBondContact ND2-CD2 3.23Å; N207-Y290 WeakPolarHBondContact OD1-CD2 3.29Å; V209-Y290 HydrophobicContact CG2-CD1 4Å

Retrieved 290 of 290 residues in 90.5 ms (Link to these results)

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