A0A077ZBU8_TRITR Loading...

DUF7047 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZBU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 330 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
1M38.7Very low73.5Confident244 Ų244116.6 Ų116.6100%1.20263%0.629SS**  0112.10-85.8174.7172.100109K3M1-K3 PolarHBondContact O-N 3.48Å
2R45.9Very low74.8Confident250 Ų250107.6 Ų107.694%0.94358%0.579SS**  trans-67.2115.5162.7-87.8-178.2175176.4-1.9106.2S4R2-S4 PolarHBondContact O-N 2.74Å
3K61.4Low75.6Confident122 Ų122106.6 Ų106.653%0.5357%0.574SS.*  trans-67.1113.8167.6-127.2-174179.9-159.10105.7M1M1-K3 PolarHBondContact O-N 3.48Å
4S68.5Low75.8Confident106 Ų106101.7 Ų101.774%0.74155%0.549SS*.PPolyproline II helixtrans-76.4122.5168.549.30000107.4R2R2-S4 PolarHBondContact O-N 2.74Å
5Y78.4Confident75.5Confident56 Ų56102.5 Ų102.522%0.2256%0.563CS.*PPolyproline II helixtrans-87.3143.9166.7-61.9-63.9000108.3F31 N35 V37 L45 F49Y5-F31 HydrophobicContact CD1-CE1 4.46Å; Y5-F31 HydrophobicContact CD2-CE1 4.29Å; Y5-F31 HydrophobicContact CD2-CZ 4.46Å; Y5-F31 AromaticContact CG-CE1 3.99Å; Y5-F31 HydrophobicContact CG-CE1 3.99Å; Y5-F31 HydrophobicContact CG-CZ 4.07Å; Y5-N35 WeakPolarHBondContact CA-OD1 3.3Å; Y5-N35 WeakPolarHBondContact CB-OD1 3.34Å; Y5-N35 HydrophobicContact CD1-CB 3.82Å; Y5-V37 HydrophobicContact CD1-CG2 4.37Å; Y5-V37 HydrophobicContact CE1-CG2 3.79Å; Y5-L45 HydrophobicContact CE1-CD1 4.2Å; Y5-L45 HydrophobicContact CE2-CD1 3.86Å; Y5-F49 HydrophobicContact CD2-CE2 4.27Å; Y5-F49 HydrophobicContact CD2-CZ 4.15Å; Y5-F49 HydrophobicContact CE2-CE2 4.44Å
6N78.1Confident75.1Confident127 Ų12799.2 Ų99.268%0.67955%0.55SS**SBendtrans-75.3119.3168.9-65.1-29.5000108N35N6-N35 PolarHBondContact N-OD1 2.88Å; N6-N35 PolarHBondContact O-ND2 3.5Å
7G80.9Confident75Confident64 Ų6494.7 Ų94.766%0.6653%0.532SS*.SBendtrans92.6176.2-178.500000114.6
8S84.1Confident75.2Confident108 Ų10891.5 Ų91.576%0.75551%0.513SS*.  trans-126.4143.7174.255.10000110
9L89.5Confident75.1Confident16 Ų1692.6 Ų92.68%0.08452%0.517CS..  trans-114127.6168.6-176.466.8000107.8W24 R27 L28 F31 F49L9-W24 HydrophobicContact CD2-CZ2 3.93Å; L9-W24 HydrophobicContact CG-CZ2 4.42Å; L9-R27 HydrophobicContact CD1-CB 3.76Å; L9-L28 HydrophobicContact CD2-CB 3.89Å; L9-L28 HydrophobicContact CD2-CD1 3.44Å; L9-L28 VanDerWaalsContact CD2-CD1 3.44Å; L9-L28 HydrophobicContact CD2-CG 4.29Å; L9-F31 HydrophobicContact CB-CD2 4.22Å; L9-F31 HydrophobicContact CB-CE2 4.5Å; L9-F31 HydrophobicContact CB-CG 4.38Å; L9-F49 HydrophobicContact CB-CB 4.31Å; L9-F49 HydrophobicContact CB-CD1 3.74Å; L9-F49 HydrophobicContact CB-CE1 4.15Å; L9-F49 HydrophobicContact CB-CG 3.97Å; L9-F49 HydrophobicContact CD2-CB 3.86Å; L9-F49 HydrophobicContact CD2-CD2 4.49Å; L9-F49 HydrophobicContact CD2-CG 4.13Å; L9-F49 HydrophobicContact CG-CB 4.31Å; L9-F49 HydrophobicContact CG-CG 4.47Å; L9-F49 VanDerWaalsContact O-CD1 3.32Å; L9-F49 WeakPolarHBondContact O-CD1 3.18Å
10E90.2Very high75.4Confident131 Ų13188.8 Ų88.861%0.61250%0.499SS*.PPolyproline II helixtrans-70.8155.5178-69.2169.4154.300110.8W24 R27E10-W24 PolarHBondContact O-NE1 3.35Å; E10-R27 IonicContact OE2-NH2 2.71Å; E10-R27 PolarHBondContact OE2-NH2 3.16Å
11A92.4Very high76.1Confident59 Ų5984.5 Ų84.549%0.48848%0.476SS..PPolyproline II helixtrans-60.8146.3173.700000111.5D13 F49A11-D13 PolarHBondContact O-N 3.07Å; A11-F49 VanDerWaalsContact CA-O 3.28Å; A11-F49 WeakPolarHBondContact CA-O 3.43Å
12F90.1Very high78.5Confident8 Ų876 Ų764%0.03543%0.433CS..PPolyproline II helixtrans-67.3127.8174.1176.8-118.8000110.1V14 S16 G20 W21 W24 C50 L54 F83F12-V14 HydrophobicContact CD1-CG2 4.26Å; F12-V14 HydrophobicContact CE1-CG2 4.45Å; F12-V14 PolarHBondContact O-N 2.88Å; F12-S16 WeakPolarHBondContact CE2-OG 3.38Å; F12-G20 VanDerWaalsContact CE2-C 3.45Å; F12-G20 WeakPolarHBondContact CE2-O 3.14Å; F12-W21 HydrophobicContact CD1-CE3 4.01Å; F12-W21 HydrophobicContact CD1-CZ3 4.39Å; F12-W21 HydrophobicContact CD2-CE3 4.28Å; F12-W21 AromaticContact CE1-CE3 3.94Å; F12-W21 HydrophobicContact CE1-CE3 3.94Å; F12-W21 VanDerWaalsContact CE2-CA 3.46Å; F12-W21 HydrophobicContact CE2-CB 4.06Å; F12-W21 HydrophobicContact CE2-CE3 4.26Å; F12-W21 HydrophobicContact CG-CE3 4.16Å; F12-W21 HydrophobicContact CG-CZ3 4.49Å; F12-W21 HydrophobicContact CZ-CB 3.74Å; F12-W21 HydrophobicContact CZ-CE3 4.09Å; F12-W24 HydrophobicContact CB-CD2 3.75Å; F12-W24 HydrophobicContact CB-CE3 4.27Å; F12-W24 HydrophobicContact CB-CG 3.92Å; F12-W24 HydrophobicContact CB-CZ2 4.33Å; F12-W24 HydrophobicContact CD2-CB 3.6Å; F12-W24 HydrophobicContact CD2-CD2 4.23Å; F12-W24 AromaticContact CD2-CG 3.68Å; F12-W24 HydrophobicContact CD2-CG 3.68Å; F12-W24 HydrophobicContact CE2-CB 4.21Å; F12-W24 HydrophobicContact CG-CB 4.49Å; F12-W24 HydrophobicContact CG-CD2 4.3Å; F12-W24 HydrophobicContact CG-CG 4.19Å; F12-C50 PolarHBondContact N-O 3.39Å; F12-L54 HydrophobicContact CB-CD2 4.08Å; F12-L54 HydrophobicContact CD1-CB 4.07Å; F12-L54 HydrophobicContact CD1-CD1 3.94Å; F12-L54 HydrophobicContact CD1-CD2 3.75Å; F12-L54 HydrophobicContact CD1-CG 4.12Å; F12-L54 HydrophobicContact CE1-CD1 4.25Å; F12-L54 HydrophobicContact CG-CD2 4.21Å; F12-F83 AromaticContact CE1-CE2 3.58Å; F12-F83 HydrophobicContact CE1-CE2 3.58Å; F12-F83 AromaticContact CE1-CZ 3.62Å; F12-F83 HydrophobicContact CE1-CZ 3.62Å; F12-F83 HydrophobicContact CZ-CE2 4.12Å; F12-F83 HydrophobicContact CZ-CZ 4.2Å
13D84.5Confident80.4Confident95 Ų9568.7 Ų68.751%0.50841%0.413SS..  trans-84.1104.9170.9-177.913000110A11 C15 S16A11-D13 PolarHBondContact O-N 3.07Å; D13-C15 PolarHBondContact O-N 3.46Å; D13-C15 VanDerWaalsContact OD1-CB 3.32Å; D13-C15 WeakPolarHBondContact OD1-CB 3.42Å; D13-C15 PolarHBondContact OD1-N 2.82Å; D13-S16 WeakPolarHBondContact O-CB 3.41Å; D13-S16 PolarHBondContact O-N 3.02Å; D13-S16 PolarHBondContact O-OG 2.71Å
14V79.1Confident81.9Confident38 Ų3863.2 Ų63.223%0.2339%0.389CS..G310 helixtrans-57.7-22.7179-171.90000111.9F12 S16 A53 L54 L57 F83F12-V14 HydrophobicContact CD1-CG2 4.26Å; F12-V14 HydrophobicContact CE1-CG2 4.45Å; F12-V14 PolarHBondContact O-N 2.88Å; V14-S16 VanDerWaalsContact C-N 3.29Å; V14-S16 PolarHBondContact O-N 3.43Å; V14-A53 HydrophobicContact CB-CB 4.48Å; V14-A53 HydrophobicContact CG2-CB 3.45Å; V14-A53 VanDerWaalsContact CG2-CB 3.45Å; V14-L54 HydrophobicContact CG2-CB 4.31Å; V14-L57 HydrophobicContact CG1-CD1 3.87Å; V14-F83 HydrophobicContact CB-CZ 4.33Å; V14-F83 HydrophobicContact CG1-CE1 3.83Å; V14-F83 HydrophobicContact CG1-CZ 3.58Å; V14-F83 WeakPolarHBondContact O-CE1 3.29Å
15C70.8Confident83.1Confident113 Ų11358.5 Ų58.576%0.76436%0.355SS*.G310 helixtrans-74-18.5176.8-61.40000113.5D13 G17D13-C15 PolarHBondContact O-N 3.46Å; D13-C15 VanDerWaalsContact OD1-CB 3.32Å; D13-C15 WeakPolarHBondContact OD1-CB 3.42Å; D13-C15 PolarHBondContact OD1-N 2.82Å; C15-G17 PolarHBondContact O-N 2.91Å
16S69.3Low83.7Confident50 Ų5060.3 Ų60.335%0.3537%0.365SS..G310 helixtrans-75.2-5.8179.467.50000114F12 D13 V14 G20F12-S16 WeakPolarHBondContact CE2-OG 3.38Å; D13-S16 WeakPolarHBondContact O-CB 3.41Å; D13-S16 PolarHBondContact O-N 3.02Å; D13-S16 PolarHBondContact O-OG 2.71Å; V14-S16 VanDerWaalsContact C-N 3.29Å; V14-S16 PolarHBondContact O-N 3.43Å; S16-G20 PolarHBondContact O-N 2.82Å; S16-G20 WeakPolarHBondContact OG-CA 3.46Å
17G72.9Confident84.5Confident23 Ų2359.5 Ų59.524%0.23735%0.353CS..Hα-helixtrans66.7-157173.700000113.9C15 W21C15-G17 PolarHBondContact O-N 2.91Å; G17-W21 WeakPolarHBondContact O-CB 3.46Å; G17-W21 PolarHBondContact O-N 3.2Å
18I79.4Confident85Confident37 Ų3756.5 Ų56.519%0.1932%0.321CS..Hα-helixtrans-65.8-40-177.3-168.864.1000112.1G20 W21 E22 R80 F83I18-G20 PolarHBondContact O-N 3.34Å; I18-W21 WeakPolarHBondContact O-CA 3.41Å; I18-W21 VanDerWaalsContact O-CB 3.31Å; I18-W21 WeakPolarHBondContact O-CB 3.35Å; I18-W21 PolarHBondContact O-N 2.75Å; I18-W21 VanDerWaalsContact O-N 3.09Å; I18-E22 WeakPolarHBondContact O-CG 3.43Å; I18-E22 PolarHBondContact O-N 3.49Å; I18-R80 HydrophobicContact CD1-CB 4.27Å; I18-R80 HydrophobicContact CD1-CG 4.03Å; I18-F83 HydrophobicContact CB-CB 3.97Å; I18-F83 HydrophobicContact CD1-CB 3.94Å
19D73.6Confident85.4Confident113 Ų11355.5 Ų55.560%0.60431%0.305SS*.Hα-helixtrans-64-44.7-179.4-63.1-34.6000111.2W21 E22 N23D19-W21 VanDerWaalsContact C-N 3.27Å; D19-W21 PolarHBondContact O-N 3.46Å; D19-E22 PolarHBondContact O-N 3.49Å; D19-N23 PolarHBondContact O-N 3.11Å; D19-N23 PolarHBondContact O-ND2 3.16Å
20G80.9Confident85.4Confident15 Ų1560.3 Ų60.316%0.15533%0.325CS..Hα-helixtrans-66.7-31.1174.200000112.8F12 S16 I18 W24F12-G20 VanDerWaalsContact CE2-C 3.45Å; F12-G20 WeakPolarHBondContact CE2-O 3.14Å; S16-G20 PolarHBondContact O-N 2.82Å; S16-G20 WeakPolarHBondContact OG-CA 3.46Å; I18-G20 PolarHBondContact O-N 3.34Å; G20-W24 WeakPolarHBondContact O-CB 3.43Å; G20-W24 PolarHBondContact O-N 3.46Å
21W89Confident85.5Confident0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-64.6-48.4175.6171.9-108.6000111.8F12 G17 I18 D19 N23 W24 I25 L46 L54 I76 V79 F83F12-W21 HydrophobicContact CD1-CE3 4.01Å; F12-W21 HydrophobicContact CD1-CZ3 4.39Å; F12-W21 HydrophobicContact CD2-CE3 4.28Å; F12-W21 AromaticContact CE1-CE3 3.94Å; F12-W21 HydrophobicContact CE1-CE3 3.94Å; F12-W21 VanDerWaalsContact CE2-CA 3.46Å; F12-W21 HydrophobicContact CE2-CB 4.06Å; F12-W21 HydrophobicContact CE2-CE3 4.26Å; F12-W21 HydrophobicContact CG-CE3 4.16Å; F12-W21 HydrophobicContact CG-CZ3 4.49Å; F12-W21 HydrophobicContact CZ-CB 3.74Å; F12-W21 HydrophobicContact CZ-CE3 4.09Å; G17-W21 WeakPolarHBondContact O-CB 3.46Å; G17-W21 PolarHBondContact O-N 3.2Å; I18-W21 WeakPolarHBondContact O-CA 3.41Å; I18-W21 VanDerWaalsContact O-CB 3.31Å; I18-W21 WeakPolarHBondContact O-CB 3.35Å; I18-W21 PolarHBondContact O-N 2.75Å; I18-W21 VanDerWaalsContact O-N 3.09Å; D19-W21 VanDerWaalsContact C-N 3.27Å; D19-W21 PolarHBondContact O-N 3.46Å; W21-N23 PolarHBondContact O-N 3Å; W21-W24 HydrophobicContact CE3-CE3 4.24Å; W21-W24 HydrophobicContact CH2-CE3 4.47Å; W21-W24 HydrophobicContact CH2-CZ3 4.4Å; W21-W24 AromaticContact CZ3-CE3 3.7Å; W21-W24 HydrophobicContact CZ3-CE3 3.7Å; W21-W24 AromaticContact CZ3-CZ3 3.92Å; W21-W24 HydrophobicContact CZ3-CZ3 3.92Å; W21-W24 PolarHBondContact O-N 2.92Å; W21-I25 HydrophobicContact CD2-CG1 3.93Å; W21-I25 HydrophobicContact CE3-CG1 4.14Å; W21-I25 HydrophobicContact CH2-CD1 3.43Å; W21-I25 VanDerWaalsContact CH2-CD1 3.43Å; W21-I25 HydrophobicContact CH2-CG1 3.7Å; W21-I25 HydrophobicContact CZ2-CD1 3.51Å; W21-I25 HydrophobicContact CZ2-CG1 3.43Å; W21-I25 VanDerWaalsContact CZ2-CG1 3.43Å; W21-I25 HydrophobicContact CZ3-CD1 3.98Å; W21-I25 HydrophobicContact CZ3-CG1 3.99Å; W21-I25 PolarHBondContact O-N 2.81Å; W21-L46 HydrophobicContact CH2-CD1 3.97Å; W21-L46 HydrophobicContact CZ3-CD1 4.45Å; W21-L54 HydrophobicContact CE3-CD2 4.09Å; W21-L54 HydrophobicContact CH2-CD2 3.84Å; W21-L54 HydrophobicContact CZ3-CD1 4.45Å; W21-L54 HydrophobicContact CZ3-CD2 3.24Å; W21-L54 HydrophobicContact CZ3-CG 4.49Å; W21-I76 HydrophobicContact CZ2-CB 4.5Å; W21-I76 HydrophobicContact CZ2-CG1 4.2Å; W21-V79 HydrophobicContact CD2-CB 4.3Å; W21-V79 HydrophobicContact CD2-CG1 3.39Å; W21-V79 HydrophobicContact CE3-CG1 3.73Å; W21-V79 HydrophobicContact CG-CG1 3.95Å; W21-V79 HydrophobicContact CH2-CB 4.05Å; W21-V79 HydrophobicContact CH2-CG1 3.83Å; W21-V79 HydrophobicContact CH2-CG2 4.02Å; W21-V79 HydrophobicContact CZ2-CB 3.53Å; W21-V79 HydrophobicContact CZ2-CG1 3.51Å; W21-V79 HydrophobicContact CZ2-CG2 3.95Å; W21-V79 HydrophobicContact CZ3-CG1 3.98Å; W21-F83 HydrophobicContact CB-CD2 4.39Å; W21-F83 HydrophobicContact CG-CD2 4.49Å
22E88.7Confident85.4Confident65 Ų6552.1 Ų52.130%0.30428%0.277SS..Hα-helixtrans-59.2-47.3177.1-64-54.313600110.9I18 D19 W24 I25 E26 R80I18-E22 WeakPolarHBondContact O-CG 3.43Å; I18-E22 PolarHBondContact O-N 3.49Å; D19-E22 PolarHBondContact O-N 3.49Å; E22-W24 VanDerWaalsContact C-N 3.31Å; E22-W24 PolarHBondContact O-N 3.2Å; E22-I25 PolarHBondContact O-N 2.95Å; E22-E26 PolarHBondContact O-N 2.68Å; E22-R80 IonicContact OE1-CZ 3.82Å; E22-R80 IonicContact OE1-NE 3.46Å; E22-R80 PolarHBondContact OE1-NE 3.26Å; E22-R80 IonicContact OE1-NH2 3.55Å; E22-R80 PolarHBondContact OE1-NH2 3.15Å; E22-R80 IonicContact OE2-CZ 2.82Å; E22-R80 IonicContact OE2-NE 2.75Å; E22-R80 IonicContact OE2-NH2 3.61Å; E22-R80 PolarHBondContact OE2-NH2 3.16Å
23N86.7Confident85.4Confident97 Ų9758.3 Ų58.352%0.51931%0.306SS..Hα-helixtrans-61-38.7176.4-71-29.1000112.6D19 W21 R27D19-N23 PolarHBondContact O-N 3.11Å; D19-N23 PolarHBondContact O-ND2 3.16Å; W21-N23 PolarHBondContact O-N 3Å; N23-R27 VanDerWaalsContact O-CG 3.28Å; N23-R27 WeakPolarHBondContact O-CG 3.4Å; N23-R27 PolarHBondContact O-N 3.05Å; N23-R27 VanDerWaalsContact O-N 3.13Å
24W93.4Very high85.6Confident7 Ų757.1 Ų57.13%0.02731%0.309CS..Hα-helixtrans-73.7-37.5-179.1-172.991.2000112.3L9 E10 F12 G20 W21 E22 R27 L28 L46 F49 C50L9-W24 HydrophobicContact CD2-CZ2 3.93Å; L9-W24 HydrophobicContact CG-CZ2 4.42Å; E10-W24 PolarHBondContact O-NE1 3.35Å; F12-W24 HydrophobicContact CB-CD2 3.75Å; F12-W24 HydrophobicContact CB-CE3 4.27Å; F12-W24 HydrophobicContact CB-CG 3.92Å; F12-W24 HydrophobicContact CB-CZ2 4.33Å; F12-W24 HydrophobicContact CD2-CB 3.6Å; F12-W24 HydrophobicContact CD2-CD2 4.23Å; F12-W24 AromaticContact CD2-CG 3.68Å; F12-W24 HydrophobicContact CD2-CG 3.68Å; F12-W24 HydrophobicContact CE2-CB 4.21Å; F12-W24 HydrophobicContact CG-CB 4.49Å; F12-W24 HydrophobicContact CG-CD2 4.3Å; F12-W24 HydrophobicContact CG-CG 4.19Å; G20-W24 WeakPolarHBondContact O-CB 3.43Å; G20-W24 PolarHBondContact O-N 3.46Å; W21-W24 HydrophobicContact CE3-CE3 4.24Å; W21-W24 HydrophobicContact CH2-CE3 4.47Å; W21-W24 HydrophobicContact CH2-CZ3 4.4Å; W21-W24 AromaticContact CZ3-CE3 3.7Å; W21-W24 HydrophobicContact CZ3-CE3 3.7Å; W21-W24 AromaticContact CZ3-CZ3 3.92Å; W21-W24 HydrophobicContact CZ3-CZ3 3.92Å; W21-W24 PolarHBondContact O-N 2.92Å; E22-W24 VanDerWaalsContact C-N 3.31Å; E22-W24 PolarHBondContact O-N 3.2Å; W24-R27 PolarHBondContact O-N 3.49Å; W24-L28 HydrophobicContact CH2-CD1 4.27Å; W24-L28 HydrophobicContact CH2-CD2 4.08Å; W24-L28 HydrophobicContact CZ3-CB 4.28Å; W24-L28 HydrophobicContact CZ3-CD2 3.83Å; W24-L28 HydrophobicContact CZ3-CG 4.5Å; W24-L28 PolarHBondContact O-N 2.81Å; W24-L46 HydrophobicContact CH2-CD1 3.81Å; W24-L46 HydrophobicContact CZ3-CD1 3.48Å; W24-L46 VanDerWaalsContact CZ3-CD1 3.48Å; W24-F49 HydrophobicContact CH2-CB 4.37Å; W24-F49 HydrophobicContact CZ2-CB 3.98Å; W24-C50 HydrophobicContact CH2-CB 4.18Å
25I93Very high86.1Confident6 Ų656.2 Ų56.23%0.03130%0.303CS..Hα-helixtrans-63.2-44.7173.2-78.3-62.5000110.8W21 E22 R27 L28 E29 F72 I76W21-I25 HydrophobicContact CD2-CG1 3.93Å; W21-I25 HydrophobicContact CE3-CG1 4.14Å; W21-I25 HydrophobicContact CH2-CD1 3.43Å; W21-I25 VanDerWaalsContact CH2-CD1 3.43Å; W21-I25 HydrophobicContact CH2-CG1 3.7Å; W21-I25 HydrophobicContact CZ2-CD1 3.51Å; W21-I25 HydrophobicContact CZ2-CG1 3.43Å; W21-I25 VanDerWaalsContact CZ2-CG1 3.43Å; W21-I25 HydrophobicContact CZ3-CD1 3.98Å; W21-I25 HydrophobicContact CZ3-CG1 3.99Å; W21-I25 PolarHBondContact O-N 2.81Å; E22-I25 PolarHBondContact O-N 2.95Å; I25-R27 VanDerWaalsContact C-N 3.31Å; I25-R27 PolarHBondContact O-N 3.48Å; I25-L28 HydrophobicContact CD1-CD2 4.18Å; I25-L28 WeakPolarHBondContact O-CA 3.25Å; I25-L28 WeakPolarHBondContact O-CB 3.33Å; I25-L28 PolarHBondContact O-N 3.22Å; I25-E29 HydrophobicContact CG2-CG 4.48Å; I25-E29 WeakPolarHBondContact O-CG 3.47Å; I25-E29 PolarHBondContact O-N 3.28Å; I25-F72 HydrophobicContact CD1-CZ 4.32Å; I25-I76 HydrophobicContact CD1-CD1 4.15Å; I25-I76 HydrophobicContact CD1-CG1 4.03Å; I25-I76 HydrophobicContact CG2-CD1 4.12Å
26E92.1Very high87Confident95 Ų9557.6 Ų57.644%0.44430%0.303SS..Hα-helixtrans-58.4-44.3176.1-169.8-176.9-173.800111.2E22 L28 E29 F30E22-E26 PolarHBondContact O-N 2.68Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 3.4Å; E26-E29 PolarHBondContact O-N 3.41Å; E26-F30 HydrophobicContact CG-CD2 3.99Å; E26-F30 HydrophobicContact CG-CE2 3.5Å; E26-F30 HydrophobicContact CG-CZ 4.24Å; E26-F30 VanDerWaalsContact O-CD2 3.29Å; E26-F30 WeakPolarHBondContact O-CD2 3.05Å; E26-F30 PolarHBondContact O-N 3.45Å; E26-F30 WeakPolarHBondContact OE1-CE2 3.28Å
27R93.3Very high87.8Confident110 Ų11055.7 Ų55.742%0.41529%0.289SS..Hα-helixtrans-60.9-38.5173.4-71167.865.3-169.15.4112.7L9 E10 N23 W24 I25 F31L9-R27 HydrophobicContact CD1-CB 3.76Å; E10-R27 IonicContact OE2-NH2 2.71Å; E10-R27 PolarHBondContact OE2-NH2 3.16Å; N23-R27 VanDerWaalsContact O-CG 3.28Å; N23-R27 WeakPolarHBondContact O-CG 3.4Å; N23-R27 PolarHBondContact O-N 3.05Å; N23-R27 VanDerWaalsContact O-N 3.13Å; W24-R27 PolarHBondContact O-N 3.49Å; I25-R27 VanDerWaalsContact C-N 3.31Å; I25-R27 PolarHBondContact O-N 3.48Å; R27-F31 WeakPolarHBondContact O-CB 3.43Å; R27-F31 PolarHBondContact O-N 3.42Å
28L92.7Very high88.4Confident0 Ų064 Ų640%031%0.313CS..Hα-helixtrans-65.2-40.1176.7179.971.2000111.4L9 W24 I25 E26 F31 A32 L45 L46 F49 F72L9-L28 HydrophobicContact CD2-CB 3.89Å; L9-L28 HydrophobicContact CD2-CD1 3.44Å; L9-L28 VanDerWaalsContact CD2-CD1 3.44Å; L9-L28 HydrophobicContact CD2-CG 4.29Å; W24-L28 HydrophobicContact CH2-CD1 4.27Å; W24-L28 HydrophobicContact CH2-CD2 4.08Å; W24-L28 HydrophobicContact CZ3-CB 4.28Å; W24-L28 HydrophobicContact CZ3-CD2 3.83Å; W24-L28 HydrophobicContact CZ3-CG 4.5Å; W24-L28 PolarHBondContact O-N 2.81Å; I25-L28 HydrophobicContact CD1-CD2 4.18Å; I25-L28 WeakPolarHBondContact O-CA 3.25Å; I25-L28 WeakPolarHBondContact O-CB 3.33Å; I25-L28 PolarHBondContact O-N 3.22Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 3.4Å; L28-F31 PolarHBondContact O-N 2.94Å; L28-A32 WeakPolarHBondContact O-CB 3.41Å; L28-A32 PolarHBondContact O-N 3Å; L28-L45 HydrophobicContact CD1-CB 4.22Å; L28-L45 HydrophobicContact CD1-CD2 3.94Å; L28-L45 HydrophobicContact CD1-CG 3.85Å; L28-L46 HydrophobicContact CD2-CB 4.03Å; L28-L46 HydrophobicContact CD2-CD1 4.17Å; L28-F49 HydrophobicContact CD1-CD2 4.42Å; L28-F72 HydrophobicContact CD2-CE2 3.96Å; L28-F72 HydrophobicContact CD2-CZ 4.12Å
29E90.9Very high88.4Confident88 Ų8868.6 Ų68.641%0.41134%0.335SS..Hα-helixtrans-67-47.2178-70.5180161.500111.5I25 E26 F31 A32 E33I25-E29 HydrophobicContact CG2-CG 4.48Å; I25-E29 WeakPolarHBondContact O-CG 3.47Å; I25-E29 PolarHBondContact O-N 3.28Å; E26-E29 PolarHBondContact O-N 3.41Å; E29-F31 VanDerWaalsContact C-N 3.29Å; E29-F31 PolarHBondContact O-N 2.72Å; E29-A32 WeakPolarHBondContact O-CB 2.99Å; E29-A32 PolarHBondContact O-N 2.94Å; E29-A32 VanDerWaalsContact O-N 3.11Å; E29-E33 PolarHBondContact O-N 3.43Å
30F90.9Very high88.7Confident116 Ų11667.7 Ų67.751%0.50934%0.344SS..Hα-helixtrans-60.9-39.1172.4-72-48.1000112.4E26 A32 E33 A34E26-F30 HydrophobicContact CG-CD2 3.99Å; E26-F30 HydrophobicContact CG-CE2 3.5Å; E26-F30 HydrophobicContact CG-CZ 4.24Å; E26-F30 VanDerWaalsContact O-CD2 3.29Å; E26-F30 WeakPolarHBondContact O-CD2 3.05Å; E26-F30 PolarHBondContact O-N 3.45Å; E26-F30 WeakPolarHBondContact OE1-CE2 3.28Å; F30-A32 VanDerWaalsContact C-N 3.31Å; F30-A32 PolarHBondContact O-N 3.47Å; F30-E33 PolarHBondContact O-N 2.95Å; F30-A34 WeakPolarHBondContact O-CB 3.27Å; F30-A34 PolarHBondContact O-N 2.8Å
31F91.8Very high89Confident19 Ų1972.4 Ų72.48%0.08336%0.357CS..Hα-helixtrans-62.7-39.7175.3-176.6-90000111.6Y5 L9 R27 L28 E29 N35 L45 F49Y5-F31 HydrophobicContact CD1-CE1 4.46Å; Y5-F31 HydrophobicContact CD2-CE1 4.29Å; Y5-F31 HydrophobicContact CD2-CZ 4.46Å; Y5-F31 AromaticContact CG-CE1 3.99Å; Y5-F31 HydrophobicContact CG-CE1 3.99Å; Y5-F31 HydrophobicContact CG-CZ 4.07Å; L9-F31 HydrophobicContact CB-CD2 4.22Å; L9-F31 HydrophobicContact CB-CE2 4.5Å; L9-F31 HydrophobicContact CB-CG 4.38Å; R27-F31 WeakPolarHBondContact O-CB 3.43Å; R27-F31 PolarHBondContact O-N 3.42Å; L28-F31 PolarHBondContact O-N 2.94Å; E29-F31 VanDerWaalsContact C-N 3.29Å; E29-F31 PolarHBondContact O-N 2.72Å; F31-N35 VanDerWaalsContact O-CB 3.32Å; F31-N35 WeakPolarHBondContact O-CB 3.05Å; F31-N35 PolarHBondContact O-N 2.95Å; F31-N35 PolarHBondContact O-ND2 3.44Å; F31-L45 HydrophobicContact CD1-CD1 4.44Å; F31-L45 HydrophobicContact CD1-CD2 4Å; F31-L45 HydrophobicContact CD1-CG 4.4Å; F31-L45 HydrophobicContact CE1-CD1 4.21Å; F31-F49 HydrophobicContact CD1-CE2 4.12Å; F31-F49 HydrophobicContact CE1-CD2 4.31Å; F31-F49 AromaticContact CE1-CE2 3.42Å; F31-F49 HydrophobicContact CE1-CE2 3.42Å; F31-F49 VanDerWaalsContact CE1-CE2 3.42Å; F31-F49 AromaticContact CE1-CZ 3.57Å; F31-F49 HydrophobicContact CE1-CZ 3.57Å; F31-F49 HydrophobicContact CZ-CE1 4.34Å; F31-F49 AromaticContact CZ-CE2 3.94Å; F31-F49 HydrophobicContact CZ-CE2 3.94Å; F31-F49 AromaticContact CZ-CZ 3.56Å; F31-F49 HydrophobicContact CZ-CZ 3.56Å
32A90.6Very high88.9Confident0 Ų072.9 Ų72.90%036%0.359CS..Hα-helixtrans-65.2-43.717600000111.9L28 E29 F30 N35 N36 V37 L42 L45L28-A32 WeakPolarHBondContact O-CB 3.41Å; L28-A32 PolarHBondContact O-N 3Å; E29-A32 WeakPolarHBondContact O-CB 2.99Å; E29-A32 PolarHBondContact O-N 2.94Å; E29-A32 VanDerWaalsContact O-N 3.11Å; F30-A32 VanDerWaalsContact C-N 3.31Å; F30-A32 PolarHBondContact O-N 3.47Å; A32-N35 CarbonylContact O-C 3.6Å; A32-N35 PolarHBondContact O-N 3.05Å; A32-N36 PolarHBondContact O-N 3.08Å; A32-V37 HydrophobicContact CB-CB 4.04Å; A32-V37 WeakPolarHBondContact O-CB 3.49Å; A32-V37 PolarHBondContact O-N 3.26Å; A32-L42 HydrophobicContact CB-CD2 3.35Å; A32-L45 HydrophobicContact CB-CD2 3.57Å
33E89.2Confident89Confident138 Ų13873.5 Ų73.565%0.64536%0.359SS*.Hα-helixtrans-61.7-52.8177.3-174-180176.900111.5E29 F30 N35 N36E29-E33 PolarHBondContact O-N 3.43Å; F30-E33 PolarHBondContact O-N 2.95Å; E33-N35 PolarHBondContact O-N 3.38Å; E33-N36 PolarHBondContact O-N 2.8Å
34A90Very high89.1Confident70 Ų7071.5 Ų71.558%0.57935%0.353SS*.Hα-helixtrans-57.5-26.7178.600000113F30F30-A34 WeakPolarHBondContact O-CB 3.27Å; F30-A34 PolarHBondContact O-N 2.8Å
35N89.9Confident89Confident18 Ų1871.2 Ų71.210%0.09635%0.351CS..THydrogen-bonded Turntrans-999.3179.9-79-77.5000114.6Y5 N6 F31 A32 E33 V37Y5-N35 WeakPolarHBondContact CA-OD1 3.3Å; Y5-N35 WeakPolarHBondContact CB-OD1 3.34Å; Y5-N35 HydrophobicContact CD1-CB 3.82Å; N6-N35 PolarHBondContact N-OD1 2.88Å; N6-N35 PolarHBondContact O-ND2 3.5Å; F31-N35 VanDerWaalsContact O-CB 3.32Å; F31-N35 WeakPolarHBondContact O-CB 3.05Å; F31-N35 PolarHBondContact O-N 2.95Å; F31-N35 PolarHBondContact O-ND2 3.44Å; A32-N35 CarbonylContact O-C 3.6Å; A32-N35 PolarHBondContact O-N 3.05Å; E33-N35 PolarHBondContact O-N 3.38Å; N35-V37 HydrophobicContact CB-CG2 3.78Å; N35-V37 PolarHBondContact O-N 2.9Å
36N88.9Confident88.9Confident143 Ų14371 Ų7177%0.76535%0.35SS*.THydrogen-bonded Turntrans50.440.1-177.5-65.4-75.5000112.3A32 E33 R38A32-N36 PolarHBondContact O-N 3.08Å; E33-N36 PolarHBondContact O-N 2.8Å; N36-R38 PolarHBondContact O-N 2.77Å
37V86.1Confident89Confident9 Ų968.6 Ų68.66%0.05534%0.339CS..  trans-81.2118.1178.9-178.80000108.5Y5 A32 N35 M39 R41 L45Y5-V37 HydrophobicContact CD1-CG2 4.37Å; Y5-V37 HydrophobicContact CE1-CG2 3.79Å; A32-V37 HydrophobicContact CB-CB 4.04Å; A32-V37 WeakPolarHBondContact O-CB 3.49Å; A32-V37 PolarHBondContact O-N 3.26Å; N35-V37 HydrophobicContact CB-CG2 3.78Å; N35-V37 PolarHBondContact O-N 2.9Å; V37-M39 PolarHBondContact O-N 3.02Å; V37-R41 HydrophobicContact CG1-CB 3.65Å; V37-L45 HydrophobicContact CG1-CD2 4.43Å; V37-L45 HydrophobicContact CG2-CD2 4.44Å
38R84.9Confident88.8Confident199 Ų19967.9 Ų67.975%0.75135%0.346SS*.  trans-58139.7173.6-61.2-179.476.4106.7-1.1109.8N36 A40 R41N36-R38 PolarHBondContact O-N 2.77Å; R38-A40 PolarHBondContact O-N 2.95Å; R38-R41 WeakPolarHBondContact O-CB 3.17Å; R38-R41 PolarHBondContact O-N 2.76Å
39M79.2Confident88.8Confident132 Ų13269.5 Ų69.565%0.6535%0.353SS*.G310 helixtrans-45.9-39.5178.3-65.7-65.6103.500113.6V37 R41 L42V37-M39 PolarHBondContact O-N 3.02Å; M39-R41 PolarHBondContact O-N 3.02Å; M39-L42 HydrophobicContact CE-CD1 3.97Å; M39-L42 HydrophobicContact CE-CG 4.38Å; M39-L42 WeakPolarHBondContact O-CB 3.41Å; M39-L42 WeakPolarHBondContact O-CG 3.43Å; M39-L42 PolarHBondContact O-N 3.18Å; M39-L42 HydrophobicContact SD-CD1 3.58Å; M39-L42 VanDerWaalsContact SD-CD1 3.58Å; M39-L42 HydrophobicContact SD-CG 4.47Å
40A80.6Confident88.8Confident94 Ų9465.5 Ų65.578%0.77734%0.335SS*.G310 helixtrans-57.8-13176.200000115.3R38R38-A40 PolarHBondContact O-N 2.95Å
41R86.4Confident88.9Confident114 Ų11460.8 Ų60.843%0.4332%0.319SS..G310 helixtrans-106.9-0.7179.2-60.7-170.473.5164.32113.7V37 R38 M39 R43 S44 L45V37-R41 HydrophobicContact CG1-CB 3.65Å; R38-R41 WeakPolarHBondContact O-CB 3.17Å; R38-R41 PolarHBondContact O-N 2.76Å; M39-R41 PolarHBondContact O-N 3.02Å; R41-R43 VanDerWaalsContact C-N 3.29Å; R41-R43 PolarHBondContact O-N 3.02Å; R41-S44 WeakPolarHBondContact O-CB 3.48Å; R41-S44 PolarHBondContact O-N 3.36Å; R41-L45 PolarHBondContact O-N 3.03Å
42L87.7Confident88.8Confident10 Ų1064.6 Ų64.65%0.05235%0.346CS..Hα-helixtrans-57.3-42.1178.2-74.3175.7000112.1A32 M39 S44 L45 L46 F72A32-L42 HydrophobicContact CB-CD2 3.35Å; M39-L42 HydrophobicContact CE-CD1 3.97Å; M39-L42 HydrophobicContact CE-CG 4.38Å; M39-L42 WeakPolarHBondContact O-CB 3.41Å; M39-L42 WeakPolarHBondContact O-CG 3.43Å; M39-L42 PolarHBondContact O-N 3.18Å; M39-L42 HydrophobicContact SD-CD1 3.58Å; M39-L42 VanDerWaalsContact SD-CD1 3.58Å; M39-L42 HydrophobicContact SD-CG 4.47Å; L42-S44 VanDerWaalsContact C-N 3.3Å; L42-S44 PolarHBondContact O-N 3.28Å; L42-L45 HydrophobicContact CD2-CD2 4.49Å; L42-L45 CarbonylContact O-C 3.41Å; L42-L45 WeakPolarHBondContact O-CA 3.2Å; L42-L45 VanDerWaalsContact O-CB 3.32Å; L42-L45 WeakPolarHBondContact O-CB 3.27Å; L42-L45 PolarHBondContact O-N 3.32Å; L42-L46 PolarHBondContact O-N 2.84Å; L42-F72 HydrophobicContact CB-CB 4.37Å; L42-F72 HydrophobicContact CB-CD1 3.94Å; L42-F72 HydrophobicContact CB-CD2 3.82Å; L42-F72 HydrophobicContact CB-CE1 4.09Å; L42-F72 HydrophobicContact CB-CE2 4Å; L42-F72 HydrophobicContact CB-CG 3.78Å; L42-F72 HydrophobicContact CB-CZ 4.11Å; L42-F72 HydrophobicContact CD1-CD1 3.93Å; L42-F72 HydrophobicContact CD1-CE1 3.82Å; L42-F72 HydrophobicContact CD1-CZ 4.41Å; L42-F72 HydrophobicContact CG-CE1 4.49Å
43R91.3Very high88.5Confident78 Ų7867.1 Ų67.129%0.29437%0.366SS..Hα-helixtrans-53.4-44.2172.3-177.2179.173.599-4.1113.2R41 L45 F47 L67 D68 K70 F72 L75R41-R43 VanDerWaalsContact C-N 3.29Å; R41-R43 PolarHBondContact O-N 3.02Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-F47 HydrophobicContact CG-CD2 4.21Å; R43-F47 HydrophobicContact CG-CE2 3.88Å; R43-F47 WeakPolarHBondContact O-CD2 3.22Å; R43-F47 PolarHBondContact O-N 3.35Å; R43-L67 PolarHBondContact NH1-O 3.28Å; R43-D68 VanDerWaalsContact NH1-CA 3.35Å; R43-K70 WeakPolarHBondContact CD-O 3.28Å; R43-F72 HydrophobicContact CB-CB 4.38Å; R43-L75 HydrophobicContact CG-CD1 3.73Å
44S88.9Confident88.5Confident56 Ų5660.5 Ų60.539%0.39234%0.335SS..Hα-helixtrans-68.1-36.8177.7-56.40000111.4R41 L42 F47 V48R41-S44 WeakPolarHBondContact O-CB 3.48Å; R41-S44 PolarHBondContact O-N 3.36Å; L42-S44 VanDerWaalsContact C-N 3.3Å; L42-S44 PolarHBondContact O-N 3.28Å; S44-F47 PolarHBondContact O-N 3.02Å; S44-V48 VanDerWaalsContact O-CG2 3.23Å; S44-V48 WeakPolarHBondContact O-CG2 2.92Å; S44-V48 PolarHBondContact O-N 3.22Å; S44-V48 VanDerWaalsContact O-N 3.12Å
45L90.3Very high88.6Confident0 Ų061.8 Ų61.80%033%0.326CS..Hα-helixtrans-66.1-44.7178.8-152.767.5000111.3Y5 L28 F31 A32 V37 R41 L42 R43 F47 V48 F49Y5-L45 HydrophobicContact CE1-CD1 4.2Å; Y5-L45 HydrophobicContact CE2-CD1 3.86Å; L28-L45 HydrophobicContact CD1-CB 4.22Å; L28-L45 HydrophobicContact CD1-CD2 3.94Å; L28-L45 HydrophobicContact CD1-CG 3.85Å; F31-L45 HydrophobicContact CD1-CD1 4.44Å; F31-L45 HydrophobicContact CD1-CD2 4Å; F31-L45 HydrophobicContact CD1-CG 4.4Å; F31-L45 HydrophobicContact CE1-CD1 4.21Å; A32-L45 HydrophobicContact CB-CD2 3.57Å; V37-L45 HydrophobicContact CG1-CD2 4.43Å; V37-L45 HydrophobicContact CG2-CD2 4.44Å; R41-L45 PolarHBondContact O-N 3.03Å; L42-L45 HydrophobicContact CD2-CD2 4.49Å; L42-L45 CarbonylContact O-C 3.41Å; L42-L45 WeakPolarHBondContact O-CA 3.2Å; L42-L45 VanDerWaalsContact O-CB 3.32Å; L42-L45 WeakPolarHBondContact O-CB 3.27Å; L42-L45 PolarHBondContact O-N 3.32Å; R43-L45 VanDerWaalsContact C-N 3.32Å; L45-F47 VanDerWaalsContact C-N 3.35Å; L45-F47 PolarHBondContact O-N 3.36Å; L45-V48 WeakPolarHBondContact O-CB 3.47Å; L45-V48 PolarHBondContact O-N 2.91Å; L45-V48 VanDerWaalsContact O-N 3.08Å; L45-F49 HydrophobicContact CD1-CD2 4.07Å; L45-F49 HydrophobicContact CD1-CE2 3.67Å; L45-F49 HydrophobicContact CG-CD2 3.98Å; L45-F49 HydrophobicContact CG-CE2 4.06Å; L45-F49 WeakPolarHBondContact O-CD2 3.47Å; L45-F49 PolarHBondContact O-N 3.4Å
46L92.1Very high88.5Confident1 Ų168.1 Ų68.11%0.00535%0.353CS..Hα-helixtrans-49.9-53.9172.4173.463.3000110.8W21 W24 L28 L42 V48 F49 C50 L54 F72 L75W21-L46 HydrophobicContact CH2-CD1 3.97Å; W21-L46 HydrophobicContact CZ3-CD1 4.45Å; W24-L46 HydrophobicContact CH2-CD1 3.81Å; W24-L46 HydrophobicContact CZ3-CD1 3.48Å; W24-L46 VanDerWaalsContact CZ3-CD1 3.48Å; L28-L46 HydrophobicContact CD2-CB 4.03Å; L28-L46 HydrophobicContact CD2-CD1 4.17Å; L42-L46 PolarHBondContact O-N 2.84Å; L46-V48 VanDerWaalsContact C-N 3.28Å; L46-V48 PolarHBondContact O-N 2.9Å; L46-F49 PolarHBondContact O-N 2.97Å; L46-C50 HydrophobicContact CD1-CB 4.22Å; L46-C50 WeakPolarHBondContact O-CA 3.32Å; L46-C50 WeakPolarHBondContact O-CB 3.45Å; L46-C50 PolarHBondContact O-N 3Å; L46-C50 PolarHBondContact O-SG 3.37Å; L46-L54 HydrophobicContact CD1-CD2 4.41Å; L46-F72 HydrophobicContact CB-CD2 4.42Å; L46-F72 HydrophobicContact CB-CE2 4.1Å; L46-F72 HydrophobicContact CD2-CD2 4.3Å; L46-F72 HydrophobicContact CD2-CE2 4.28Å; L46-L75 HydrophobicContact CD2-CB 4.1Å; L46-L75 HydrophobicContact CD2-CD1 4.19Å
47F92.4Very high88.4Confident46 Ų4662.7 Ų62.720%0.20232%0.323CS..Hα-helixtrans-71.4-20.2-178.2-67.5-54.1000114.6R43 S44 L45 Y55 V58 L67 L75R43-F47 HydrophobicContact CG-CD2 4.21Å; R43-F47 HydrophobicContact CG-CE2 3.88Å; R43-F47 WeakPolarHBondContact O-CD2 3.22Å; R43-F47 PolarHBondContact O-N 3.35Å; S44-F47 PolarHBondContact O-N 3.02Å; L45-F47 VanDerWaalsContact C-N 3.35Å; L45-F47 PolarHBondContact O-N 3.36Å; F47-Y55 AromaticContact CD1-CD2 3.72Å; F47-Y55 HydrophobicContact CD1-CD2 3.72Å; F47-Y55 AromaticContact CD1-CE2 4Å; F47-Y55 HydrophobicContact CD1-CE2 4Å; F47-Y55 HydrophobicContact CE1-CD2 4.28Å; F47-Y55 HydrophobicContact CE1-CE2 4.46Å; F47-V58 HydrophobicContact CE1-CG1 4.08Å; F47-V58 HydrophobicContact CZ-CG1 4.26Å; F47-L67 HydrophobicContact CE1-CD1 4.03Å; F47-L67 HydrophobicContact CE2-CB 4.39Å; F47-L67 HydrophobicContact CZ-CB 4.09Å; F47-L67 HydrophobicContact CZ-CD1 4.04Å; F47-L67 HydrophobicContact CZ-CD2 4.15Å; F47-L67 HydrophobicContact CZ-CG 4.33Å; F47-L75 HydrophobicContact CE2-CD1 3.7Å; F47-L75 HydrophobicContact CZ-CD1 3.62Å; F47-L75 HydrophobicContact CZ-CD2 4.1Å
48V90.5Very high88.6Confident94 Ų9462.3 Ų62.357%0.5732%0.321SS*.Hα-helixtrans-73.8-38.8172.6168.70000111.1S44 L45 L46S44-V48 VanDerWaalsContact O-CG2 3.23Å; S44-V48 WeakPolarHBondContact O-CG2 2.92Å; S44-V48 PolarHBondContact O-N 3.22Å; S44-V48 VanDerWaalsContact O-N 3.12Å; L45-V48 WeakPolarHBondContact O-CB 3.47Å; L45-V48 PolarHBondContact O-N 2.91Å; L45-V48 VanDerWaalsContact O-N 3.08Å; L46-V48 VanDerWaalsContact C-N 3.28Å; L46-V48 PolarHBondContact O-N 2.9Å
49F92.7Very high88.9Confident35 Ų3558.7 Ų58.715%0.15431%0.311CS..Hα-helixtrans-106.8-17.4-171.4-68.6-72.9000115.1Y5 L9 A11 W24 L28 F31 L45 L46 G51Y5-F49 HydrophobicContact CD2-CE2 4.27Å; Y5-F49 HydrophobicContact CD2-CZ 4.15Å; Y5-F49 HydrophobicContact CE2-CE2 4.44Å; L9-F49 HydrophobicContact CB-CB 4.31Å; L9-F49 HydrophobicContact CB-CD1 3.74Å; L9-F49 HydrophobicContact CB-CE1 4.15Å; L9-F49 HydrophobicContact CB-CG 3.97Å; L9-F49 HydrophobicContact CD2-CB 3.86Å; L9-F49 HydrophobicContact CD2-CD2 4.49Å; L9-F49 HydrophobicContact CD2-CG 4.13Å; L9-F49 HydrophobicContact CG-CB 4.31Å; L9-F49 HydrophobicContact CG-CG 4.47Å; L9-F49 VanDerWaalsContact O-CD1 3.32Å; L9-F49 WeakPolarHBondContact O-CD1 3.18Å; A11-F49 VanDerWaalsContact CA-O 3.28Å; A11-F49 WeakPolarHBondContact CA-O 3.43Å; W24-F49 HydrophobicContact CH2-CB 4.37Å; W24-F49 HydrophobicContact CZ2-CB 3.98Å; L28-F49 HydrophobicContact CD1-CD2 4.42Å; F31-F49 HydrophobicContact CD1-CE2 4.12Å; F31-F49 HydrophobicContact CE1-CD2 4.31Å; F31-F49 AromaticContact CE1-CE2 3.42Å; F31-F49 HydrophobicContact CE1-CE2 3.42Å; F31-F49 VanDerWaalsContact CE1-CE2 3.42Å; F31-F49 AromaticContact CE1-CZ 3.57Å; F31-F49 HydrophobicContact CE1-CZ 3.57Å; F31-F49 HydrophobicContact CZ-CE1 4.34Å; F31-F49 AromaticContact CZ-CE2 3.94Å; F31-F49 HydrophobicContact CZ-CE2 3.94Å; F31-F49 AromaticContact CZ-CZ 3.56Å; F31-F49 HydrophobicContact CZ-CZ 3.56Å; L45-F49 HydrophobicContact CD1-CD2 4.07Å; L45-F49 HydrophobicContact CD1-CE2 3.67Å; L45-F49 HydrophobicContact CG-CD2 3.98Å; L45-F49 HydrophobicContact CG-CE2 4.06Å; L45-F49 WeakPolarHBondContact O-CD2 3.47Å; L45-F49 PolarHBondContact O-N 3.4Å; L46-F49 PolarHBondContact O-N 2.97Å; F49-G51 PolarHBondContact O-N 3.02Å
50C91Very high89.3Confident3 Ų359 Ų592%0.0231%0.308CS..SBendtrans-59-24.4-174.959.80000115.4F12 W24 L46 L54F12-C50 PolarHBondContact N-O 3.39Å; W24-C50 HydrophobicContact CH2-CB 4.18Å; L46-C50 HydrophobicContact CD1-CB 4.22Å; L46-C50 WeakPolarHBondContact O-CA 3.32Å; L46-C50 WeakPolarHBondContact O-CB 3.45Å; L46-C50 PolarHBondContact O-N 3Å; L46-C50 PolarHBondContact O-SG 3.37Å; C50-L54 HydrophobicContact CB-CB 4.02Å; C50-L54 HydrophobicContact CB-CD2 3.65Å; C50-L54 HydrophobicContact CB-CG 4.1Å
51G91.5Very high89.5Confident17 Ų1756.6 Ų56.618%0.17529%0.289CS..Hα-helixtrans78.1169.2-173.800000114.3F49 A53 Y55F49-G51 PolarHBondContact O-N 3.02Å; G51-A53 PolarHBondContact O-N 3.34Å; G51-Y55 VanDerWaalsContact O-CB 3.31Å; G51-Y55 WeakPolarHBondContact O-CB 3.43Å; G51-Y55 PolarHBondContact O-N 2.93Å; G51-Y55 VanDerWaalsContact O-N 3.08Å
52P90.6Very high89.6Confident100 Ų10051.5 Ų51.565%0.64927%0.27SS*.Hα-helixtrans-69.2-30.7-170.126.4-34.7000113.7K56P52-K56 VanDerWaalsContact O-CG 3.28Å; P52-K56 WeakPolarHBondContact O-CG 3.42Å; P52-K56 PolarHBondContact O-N 3.2Å; P52-K56 VanDerWaalsContact O-N 3.13Å
53A83.5Confident89.5Confident52 Ų5254 Ų5443%0.4329%0.293SS..Hα-helixtrans-70.9-50.4-177.900000111V14 G51 K56 L57V14-A53 HydrophobicContact CB-CB 4.48Å; V14-A53 HydrophobicContact CG2-CB 3.45Å; V14-A53 VanDerWaalsContact CG2-CB 3.45Å; G51-A53 PolarHBondContact O-N 3.34Å; A53-K56 PolarHBondContact O-N 3.32Å; A53-L57 PolarHBondContact O-N 3.45Å; A53-L57 VanDerWaalsContact O-N 3.09Å
54L89.3Confident89.4Confident0 Ų056.7 Ų56.70%032%0.32CS..Hα-helixtrans-64.7-42.3175.4-174.861.7000111.7F12 V14 W21 L46 C50 K56 L57 V58 V79 F83F12-L54 HydrophobicContact CB-CD2 4.08Å; F12-L54 HydrophobicContact CD1-CB 4.07Å; F12-L54 HydrophobicContact CD1-CD1 3.94Å; F12-L54 HydrophobicContact CD1-CD2 3.75Å; F12-L54 HydrophobicContact CD1-CG 4.12Å; F12-L54 HydrophobicContact CE1-CD1 4.25Å; F12-L54 HydrophobicContact CG-CD2 4.21Å; V14-L54 HydrophobicContact CG2-CB 4.31Å; W21-L54 HydrophobicContact CE3-CD2 4.09Å; W21-L54 HydrophobicContact CH2-CD2 3.84Å; W21-L54 HydrophobicContact CZ3-CD1 4.45Å; W21-L54 HydrophobicContact CZ3-CD2 3.24Å; W21-L54 HydrophobicContact CZ3-CG 4.49Å; L46-L54 HydrophobicContact CD1-CD2 4.41Å; C50-L54 HydrophobicContact CB-CB 4.02Å; C50-L54 HydrophobicContact CB-CD2 3.65Å; C50-L54 HydrophobicContact CB-CG 4.1Å; L54-K56 VanDerWaalsContact C-N 3.26Å; L54-K56 PolarHBondContact O-N 2.88Å; L54-L57 HydrophobicContact CD1-CD2 4.25Å; L54-L57 WeakPolarHBondContact O-CB 3.29Å; L54-L57 PolarHBondContact O-N 3.11Å; L54-V58 HydrophobicContact CD1-CG2 3.94Å; L54-V58 HydrophobicContact CG-CG2 3.99Å; L54-V58 WeakPolarHBondContact O-CG2 3.47Å; L54-V58 PolarHBondContact O-N 3.25Å; L54-V79 HydrophobicContact CD1-CG1 4.01Å; L54-V79 HydrophobicContact CD1-CG2 4.05Å; L54-F83 HydrophobicContact CD1-CE2 4.25Å
55Y92.4Very high89.4Confident97 Ų9759 Ų5938%0.3833%0.325SS..Hα-helixtrans-53.8-43.8176.3-176.6-89.4000112.1F47 G51 K59 L67F47-Y55 AromaticContact CD1-CD2 3.72Å; F47-Y55 HydrophobicContact CD1-CD2 3.72Å; F47-Y55 AromaticContact CD1-CE2 4Å; F47-Y55 HydrophobicContact CD1-CE2 4Å; F47-Y55 HydrophobicContact CE1-CD2 4.28Å; F47-Y55 HydrophobicContact CE1-CE2 4.46Å; G51-Y55 VanDerWaalsContact O-CB 3.31Å; G51-Y55 WeakPolarHBondContact O-CB 3.43Å; G51-Y55 PolarHBondContact O-N 2.93Å; G51-Y55 VanDerWaalsContact O-N 3.08Å; Y55-K59 HydrophobicContact CE1-CD 4.1Å; Y55-K59 WeakPolarHBondContact O-CB 3.46Å; Y55-K59 PolarHBondContact O-N 3.38Å; Y55-L67 HydrophobicContact CE2-CD1 3.99Å
56K89Confident89.3Confident150 Ų15066 Ų6665%0.65236%0.356SS*.Hα-helixtrans-64.7-42.7175.7-76.5173.9-177.4178.50112.2P52 A53 L54 K60P52-K56 VanDerWaalsContact O-CG 3.28Å; P52-K56 WeakPolarHBondContact O-CG 3.42Å; P52-K56 PolarHBondContact O-N 3.2Å; P52-K56 VanDerWaalsContact O-N 3.13Å; A53-K56 PolarHBondContact O-N 3.32Å; L54-K56 VanDerWaalsContact C-N 3.26Å; L54-K56 PolarHBondContact O-N 2.88Å; K56-K60 WeakPolarHBondContact O-CB 3.41Å; K56-K60 PolarHBondContact O-N 2.92Å
57L86.8Confident89.2Confident29 Ų2967.2 Ų67.215%0.15236%0.362CS..Hα-helixtrans-60.8-52.1178.6-178.4157.7000110.9V14 A53 L54 K59 K60 A61 R82 F83V14-L57 HydrophobicContact CG1-CD1 3.87Å; A53-L57 PolarHBondContact O-N 3.45Å; A53-L57 VanDerWaalsContact O-N 3.09Å; L54-L57 HydrophobicContact CD1-CD2 4.25Å; L54-L57 WeakPolarHBondContact O-CB 3.29Å; L54-L57 PolarHBondContact O-N 3.11Å; L57-K59 PolarHBondContact O-N 2.89Å; L57-K60 PolarHBondContact O-N 3.45Å; L57-K60 VanDerWaalsContact O-N 3.15Å; L57-A61 WeakPolarHBondContact O-CB 3.35Å; L57-A61 PolarHBondContact O-N 3.35Å; L57-R82 HydrophobicContact CD1-CG 4.12Å; L57-R82 HydrophobicContact CD2-CB 4.07Å; L57-R82 HydrophobicContact CD2-CG 3.84Å; L57-R82 HydrophobicContact CG-CG 4.07Å; L57-F83 HydrophobicContact CD1-CE1 4.18Å; L57-F83 HydrophobicContact CD1-CE2 4.15Å; L57-F83 HydrophobicContact CD1-CZ 3.65Å
58V90.1Very high88.9Confident2 Ų269.9 Ų69.91%0.01238%0.378CS..Hα-helixtrans-61.4-45.9179.3-179.80000110.9F47 L54 K60 A61 V62 L67 L75 V79F47-V58 HydrophobicContact CE1-CG1 4.08Å; F47-V58 HydrophobicContact CZ-CG1 4.26Å; L54-V58 HydrophobicContact CD1-CG2 3.94Å; L54-V58 HydrophobicContact CG-CG2 3.99Å; L54-V58 WeakPolarHBondContact O-CG2 3.47Å; L54-V58 PolarHBondContact O-N 3.25Å; V58-K60 PolarHBondContact O-N 3.14Å; V58-A61 PolarHBondContact O-N 3.25Å; V58-A61 VanDerWaalsContact O-N 3.16Å; V58-V62 HydrophobicContact CG1-CG2 4.21Å; V58-V62 WeakPolarHBondContact O-CG2 3.34Å; V58-V62 PolarHBondContact O-N 2.71Å; V58-L67 HydrophobicContact CG1-CD2 3.72Å; V58-L75 HydrophobicContact CG1-CD2 3.57Å; V58-V79 HydrophobicContact CG2-CG2 3.42Å; V58-V79 VanDerWaalsContact CG2-CG2 3.42Å
59K91.7Very high88.9Confident123 Ų12369.2 Ų69.254%0.53537%0.374SS..Hα-helixtrans-57.7-37.7176.6-172.8174.6-179.7177.80112.6Y55 L57 A63 L67Y55-K59 HydrophobicContact CE1-CD 4.1Å; Y55-K59 WeakPolarHBondContact O-CB 3.46Å; Y55-K59 PolarHBondContact O-N 3.38Å; L57-K59 PolarHBondContact O-N 2.89Å; K59-A63 PolarHBondContact O-N 2.75Å; K59-L67 HydrophobicContact CB-CD1 4.1Å; K59-L67 HydrophobicContact CG-CD1 4.37Å
60K86.6Confident88.8Confident137 Ų13769.2 Ų69.260%0.59637%0.374SS*.Hα-helixtrans-74.5-35.3179.6-155.9177.8-174-178.90111.8K56 L57 V58K56-K60 WeakPolarHBondContact O-CB 3.41Å; K56-K60 PolarHBondContact O-N 2.92Å; L57-K60 PolarHBondContact O-N 3.45Å; L57-K60 VanDerWaalsContact O-N 3.15Å; V58-K60 PolarHBondContact O-N 3.14Å
61A84.3Confident88.9Confident45 Ų4571.5 Ų71.537%0.37239%0.39SS..Hα-helixtrans-77.1-31.1-179.500000113.5L57 V58 V78L57-A61 WeakPolarHBondContact O-CB 3.35Å; L57-A61 PolarHBondContact O-N 3.35Å; V58-A61 PolarHBondContact O-N 3.25Å; V58-A61 VanDerWaalsContact O-N 3.16Å; A61-V78 HydrophobicContact CB-CG1 3.39Å
62V89.4Confident88.9Confident6 Ų671.6 Ų71.64%0.03639%0.386CS..Hα-helixtrans-82.3-17.4177.4176.30000112.7V58 E65 L67 K70 L75 V78V58-V62 HydrophobicContact CG1-CG2 4.21Å; V58-V62 WeakPolarHBondContact O-CG2 3.34Å; V58-V62 PolarHBondContact O-N 2.71Å; V62-E65 HydrophobicContact CG1-CB 3.97Å; V62-E65 WeakPolarHBondContact O-CA 3.32Å; V62-E65 WeakPolarHBondContact O-CB 3.37Å; V62-E65 PolarHBondContact O-N 3.38Å; V62-L67 HydrophobicContact CB-CD2 3.79Å; V62-L67 HydrophobicContact CG1-CD2 4.08Å; V62-L67 HydrophobicContact CG2-CD2 3.75Å; V62-K70 HydrophobicContact CG1-CG 3.73Å; V62-K70 HydrophobicContact CG2-CG 4.19Å; V62-L75 HydrophobicContact CG2-CD2 3.97Å; V62-V78 HydrophobicContact CG2-CG1 4.18Å; V62-V78 HydrophobicContact CG2-CG2 4.39Å
63A85.3Confident88.9Confident63 Ų6372.2 Ų72.252%0.52138%0.384SS..THydrogen-bonded Turntrans-59137.5179.900000111.5K59K59-A63 PolarHBondContact O-N 2.75Å
64P88Confident89.3Confident135 Ų13573.8 Ų73.888%0.87738%0.382SS*.THydrogen-bonded Turncis-88.3-1.513.435.7-36.9000115.3
65E89.9Confident89.5Confident104 Ų10473.8 Ų73.849%0.48638%0.382SS..SBendtrans-68.8163.2177.6-61.9179.9-127.700111.5V62 T69 K70V62-E65 HydrophobicContact CG1-CB 3.97Å; V62-E65 WeakPolarHBondContact O-CA 3.32Å; V62-E65 WeakPolarHBondContact O-CB 3.37Å; V62-E65 PolarHBondContact O-N 3.38Å; E65-T69 PolarHBondContact OE2-OG1 2.83Å; E65-K70 IonicContact OE1-NZ 2.88Å; E65-K70 PolarHBondContact OE1-NZ 2.64Å; E65-K70 WeakPolarHBondContact OE2-CE 3.34Å; E65-K70 IonicContact OE2-NZ 2.71Å; E65-K70 PolarHBondContact OE2-NZ 3.02Å
66K88.9Confident89.5Confident148 Ų14869.6 Ų69.664%0.64337%0.366SS*.  trans-91.5147177.3-66.7-179.1179.6177.20110.1D68 T69K66-D68 WeakPolarHBondContact CB-OD1 2.95Å; K66-D68 PolarHBondContact O-N 2.82Å; K66-T69 HydrophobicContact CB-CG2 4.39Å; K66-T69 PolarHBondContact O-N 3.36Å; K66-T69 PolarHBondContact O-OG1 2.94Å
67L88.6Confident89.5Confident25 Ų2567 Ų6713%0.13136%0.356CS..THydrogen-bonded Turntrans-62.2-13.6177.3-65.4179.1000114.2R43 F47 Y55 V58 K59 V62 L75R43-L67 PolarHBondContact NH1-O 3.28Å; F47-L67 HydrophobicContact CE1-CD1 4.03Å; F47-L67 HydrophobicContact CE2-CB 4.39Å; F47-L67 HydrophobicContact CZ-CB 4.09Å; F47-L67 HydrophobicContact CZ-CD1 4.04Å; F47-L67 HydrophobicContact CZ-CD2 4.15Å; F47-L67 HydrophobicContact CZ-CG 4.33Å; Y55-L67 HydrophobicContact CE2-CD1 3.99Å; V58-L67 HydrophobicContact CG1-CD2 3.72Å; K59-L67 HydrophobicContact CB-CD1 4.1Å; K59-L67 HydrophobicContact CG-CD1 4.37Å; V62-L67 HydrophobicContact CB-CD2 3.79Å; V62-L67 HydrophobicContact CG1-CD2 4.08Å; V62-L67 HydrophobicContact CG2-CD2 3.75Å; L67-L75 HydrophobicContact CD2-CD2 4.26Å
68D87.5Confident89.6Confident102 Ų10267.2 Ų67.255%0.54536%0.359SS..THydrogen-bonded Turntrans-84.8-11175.163.3-8.2000114.9R43 K66R43-D68 VanDerWaalsContact NH1-CA 3.35Å; K66-D68 WeakPolarHBondContact CB-OD1 2.95Å; K66-D68 PolarHBondContact O-N 2.82Å
69T89.7Confident89.5Confident81 Ų8167.1 Ų67.150%0.49736%0.359SS..THydrogen-bonded Turntrans-88.5-17.7175.6640000113.4E65 K66E65-T69 PolarHBondContact OE2-OG1 2.83Å; K66-T69 HydrophobicContact CB-CG2 4.39Å; K66-T69 PolarHBondContact O-N 3.36Å; K66-T69 PolarHBondContact O-OG1 2.94Å
70K91Very high89.3Confident35 Ų3565 Ų6515%0.15235%0.347CS..SBendtrans-90.8140.6-179-60.3-57.2-169.8-165.30112.9R43 V62 E65 E74 L75R43-K70 WeakPolarHBondContact CD-O 3.28Å; V62-K70 HydrophobicContact CG1-CG 3.73Å; V62-K70 HydrophobicContact CG2-CG 4.19Å; E65-K70 IonicContact OE1-NZ 2.88Å; E65-K70 PolarHBondContact OE1-NZ 2.64Å; E65-K70 WeakPolarHBondContact OE2-CE 3.34Å; E65-K70 IonicContact OE2-NZ 2.71Å; E65-K70 PolarHBondContact OE2-NZ 3.02Å; K70-E74 VanDerWaalsContact CA-OE2 3.3Å; K70-E74 WeakPolarHBondContact CA-OE2 3.32Å; K70-E74 HydrophobicContact CB-CB 4.24Å; K70-E74 HydrophobicContact CD-CB 4.33Å; K70-L75 HydrophobicContact CB-CD2 3.83Å; K70-L75 HydrophobicContact CB-CG 3.88Å; K70-L75 HydrophobicContact CG-CD2 4.34Å
71S92Very high89Confident51 Ų5163.4 Ų63.436%0.35735%0.349SS..  trans-71.6170.2170.384.10000111.4D73 E74 L75S71-D73 PolarHBondContact OG-N 2.84Å; S71-E74 PolarHBondContact N-OE2 3.13Å; S71-E74 WeakPolarHBondContact OG-CG 3.34Å; S71-E74 PolarHBondContact OG-N 3.33Å; S71-E74 VanDerWaalsContact OG-N 3.07Å; S71-E74 PolarHBondContact OG-OE2 3.05Å; S71-L75 WeakPolarHBondContact O-CD1 3.33Å; S71-L75 WeakPolarHBondContact O-CG 3.44Å; S71-L75 PolarHBondContact O-N 3.22Å; S71-L75 VanDerWaalsContact O-N 3.16Å
72F91.8Very high88.7Confident19 Ų1967.2 Ų67.28%0.08335%0.354CS..Hα-helixtrans-64-45.4175.5178.2-112.4000111.3I25 L28 L42 R43 L46 E74 L75 I76I25-F72 HydrophobicContact CD1-CZ 4.32Å; L28-F72 HydrophobicContact CD2-CE2 3.96Å; L28-F72 HydrophobicContact CD2-CZ 4.12Å; L42-F72 HydrophobicContact CB-CB 4.37Å; L42-F72 HydrophobicContact CB-CD1 3.94Å; L42-F72 HydrophobicContact CB-CD2 3.82Å; L42-F72 HydrophobicContact CB-CE1 4.09Å; L42-F72 HydrophobicContact CB-CE2 4Å; L42-F72 HydrophobicContact CB-CG 3.78Å; L42-F72 HydrophobicContact CB-CZ 4.11Å; L42-F72 HydrophobicContact CD1-CD1 3.93Å; L42-F72 HydrophobicContact CD1-CE1 3.82Å; L42-F72 HydrophobicContact CD1-CZ 4.41Å; L42-F72 HydrophobicContact CG-CE1 4.49Å; R43-F72 HydrophobicContact CB-CB 4.38Å; L46-F72 HydrophobicContact CB-CD2 4.42Å; L46-F72 HydrophobicContact CB-CE2 4.1Å; L46-F72 HydrophobicContact CD2-CD2 4.3Å; L46-F72 HydrophobicContact CD2-CE2 4.28Å; F72-E74 PolarHBondContact O-N 2.72Å; F72-L75 WeakPolarHBondContact O-CB 3.34Å; F72-L75 PolarHBondContact O-N 3.33Å; F72-L75 VanDerWaalsContact O-N 3.11Å; F72-I76 HydrophobicContact CD1-CD1 3.84Å; F72-I76 HydrophobicContact CE1-CD1 3.33Å; F72-I76 HydrophobicContact CE1-CG1 4.31Å; F72-I76 HydrophobicContact CE2-CD1 4.2Å; F72-I76 HydrophobicContact CE2-CG1 4.42Å; F72-I76 HydrophobicContact CG-CD1 4.5Å; F72-I76 HydrophobicContact CZ-CD1 3.55Å; F72-I76 HydrophobicContact CZ-CG1 4.22Å; F72-I76 PolarHBondContact O-N 3Å
73D91.5Very high87.8Confident112 Ų11268.6 Ų68.660%0.59936%0.359SS*.Hα-helixtrans-63.3-41.8179.5-51.9-30.1000111.3S71 L75 I76 E77S71-D73 PolarHBondContact OG-N 2.84Å; D73-L75 VanDerWaalsContact C-N 3.27Å; D73-L75 PolarHBondContact O-N 2.85Å; D73-I76 PolarHBondContact O-N 2.95Å; D73-E77 WeakPolarHBondContact O-CG 3.08Å; D73-E77 PolarHBondContact O-N 3.34Å
74E92.2Very high86.5Confident86 Ų8670.3 Ų70.340%0.40236%0.36SS..Hα-helixtrans-61.6-36.5174.9-73.1177.6126.300112K70 S71 F72 V78K70-E74 VanDerWaalsContact CA-OE2 3.3Å; K70-E74 WeakPolarHBondContact CA-OE2 3.32Å; K70-E74 HydrophobicContact CB-CB 4.24Å; K70-E74 HydrophobicContact CD-CB 4.33Å; S71-E74 PolarHBondContact N-OE2 3.13Å; S71-E74 WeakPolarHBondContact OG-CG 3.34Å; S71-E74 PolarHBondContact OG-N 3.33Å; S71-E74 VanDerWaalsContact OG-N 3.07Å; S71-E74 PolarHBondContact OG-OE2 3.05Å; F72-E74 PolarHBondContact O-N 2.72Å; E74-V78 WeakPolarHBondContact O-CB 3.3Å; E74-V78 WeakPolarHBondContact O-CG2 3.36Å; E74-V78 PolarHBondContact O-N 3.04Å
75L92.7Very high84.5Confident0 Ų066.8 Ų66.80%034%0.337CS..Hα-helixtrans-71.5-37.5176.8-67.9167.4000111.6R43 L46 F47 V58 V62 L67 K70 S71 F72 D73 V78 V79R43-L75 HydrophobicContact CG-CD1 3.73Å; L46-L75 HydrophobicContact CD2-CB 4.1Å; L46-L75 HydrophobicContact CD2-CD1 4.19Å; F47-L75 HydrophobicContact CE2-CD1 3.7Å; F47-L75 HydrophobicContact CZ-CD1 3.62Å; F47-L75 HydrophobicContact CZ-CD2 4.1Å; V58-L75 HydrophobicContact CG1-CD2 3.57Å; V62-L75 HydrophobicContact CG2-CD2 3.97Å; L67-L75 HydrophobicContact CD2-CD2 4.26Å; K70-L75 HydrophobicContact CB-CD2 3.83Å; K70-L75 HydrophobicContact CB-CG 3.88Å; K70-L75 HydrophobicContact CG-CD2 4.34Å; S71-L75 WeakPolarHBondContact O-CD1 3.33Å; S71-L75 WeakPolarHBondContact O-CG 3.44Å; S71-L75 PolarHBondContact O-N 3.22Å; S71-L75 VanDerWaalsContact O-N 3.16Å; F72-L75 WeakPolarHBondContact O-CB 3.34Å; F72-L75 PolarHBondContact O-N 3.33Å; F72-L75 VanDerWaalsContact O-N 3.11Å; D73-L75 VanDerWaalsContact C-N 3.27Å; D73-L75 PolarHBondContact O-N 2.85Å; L75-V78 PolarHBondContact O-N 3.37Å; L75-V79 VanDerWaalsContact O-CG2 3.27Å; L75-V79 WeakPolarHBondContact O-CG2 3.38Å; L75-V79 PolarHBondContact O-N 3.18Å
76I92Very high81.8Confident9 Ų968.2 Ų68.25%0.04635%0.347CS..Hα-helixtrans-60.3-49.6172.6-70.2175.6000109.8W21 I25 F72 D73 V78 V79 R80W21-I76 HydrophobicContact CZ2-CB 4.5Å; W21-I76 HydrophobicContact CZ2-CG1 4.2Å; I25-I76 HydrophobicContact CD1-CD1 4.15Å; I25-I76 HydrophobicContact CD1-CG1 4.03Å; I25-I76 HydrophobicContact CG2-CD1 4.12Å; F72-I76 HydrophobicContact CD1-CD1 3.84Å; F72-I76 HydrophobicContact CE1-CD1 3.33Å; F72-I76 HydrophobicContact CE1-CG1 4.31Å; F72-I76 HydrophobicContact CE2-CD1 4.2Å; F72-I76 HydrophobicContact CE2-CG1 4.42Å; F72-I76 HydrophobicContact CG-CD1 4.5Å; F72-I76 HydrophobicContact CZ-CD1 3.55Å; F72-I76 HydrophobicContact CZ-CG1 4.22Å; F72-I76 PolarHBondContact O-N 3Å; D73-I76 PolarHBondContact O-N 2.95Å; I76-V78 VanDerWaalsContact C-N 3.31Å; I76-V78 PolarHBondContact O-N 2.92Å; I76-V79 PolarHBondContact O-N 3.39Å; I76-V79 VanDerWaalsContact O-N 3.08Å; I76-R80 HydrophobicContact CG2-CG 4.13Å; I76-R80 WeakPolarHBondContact O-CB 3.47Å; I76-R80 WeakPolarHBondContact O-CG 3.38Å; I76-R80 PolarHBondContact O-N 3.48Å
77E89Confident78.9Confident94 Ų9464.5 Ų64.544%0.43934%0.338SS..Hα-helixtrans-63.8-35.8-179.9-70.1-54.6119.700112.5D73 V79 R80 T81D73-E77 WeakPolarHBondContact O-CG 3.08Å; D73-E77 PolarHBondContact O-N 3.34Å; E77-V79 VanDerWaalsContact C-N 3.32Å; E77-V79 PolarHBondContact O-N 3.07Å; E77-R80 PolarHBondContact O-N 3.1Å; E77-R80 WeakPolarHBondContact OE1-CD 3.33Å; E77-R80 IonicContact OE1-CZ 3Å; E77-R80 IonicContact OE1-NH1 3.3Å; E77-R80 PolarHBondContact OE1-NH1 3.45Å; E77-T81 VanDerWaalsContact O-CB 3.28Å; E77-T81 WeakPolarHBondContact O-CB 3.3Å; E77-T81 PolarHBondContact O-N 3.45Å; E77-T81 PolarHBondContact O-OG1 2.96Å
78V88.7Confident76.2Confident35 Ų3565.3 Ų65.321%0.21235%0.352CS..Hα-helixtrans-61.8-41.8172.6163.50000111.5A61 V62 E74 L75 I76 R82A61-V78 HydrophobicContact CB-CG1 3.39Å; V62-V78 HydrophobicContact CG2-CG1 4.18Å; V62-V78 HydrophobicContact CG2-CG2 4.39Å; E74-V78 WeakPolarHBondContact O-CB 3.3Å; E74-V78 WeakPolarHBondContact O-CG2 3.36Å; E74-V78 PolarHBondContact O-N 3.04Å; L75-V78 PolarHBondContact O-N 3.37Å; I76-V78 VanDerWaalsContact C-N 3.31Å; I76-V78 PolarHBondContact O-N 2.92Å; V78-R82 PolarHBondContact O-N 2.85Å
79V88.7Confident73.4Confident0 Ų063.1 Ų63.10%034%0.342CS..Hα-helixtrans-71.9-45.6179.2176.30000110.7W21 L54 V58 L75 I76 E77 R82 F83W21-V79 HydrophobicContact CD2-CB 4.3Å; W21-V79 HydrophobicContact CD2-CG1 3.39Å; W21-V79 HydrophobicContact CE3-CG1 3.73Å; W21-V79 HydrophobicContact CG-CG1 3.95Å; W21-V79 HydrophobicContact CH2-CB 4.05Å; W21-V79 HydrophobicContact CH2-CG1 3.83Å; W21-V79 HydrophobicContact CH2-CG2 4.02Å; W21-V79 HydrophobicContact CZ2-CB 3.53Å; W21-V79 HydrophobicContact CZ2-CG1 3.51Å; W21-V79 HydrophobicContact CZ2-CG2 3.95Å; W21-V79 HydrophobicContact CZ3-CG1 3.98Å; L54-V79 HydrophobicContact CD1-CG1 4.01Å; L54-V79 HydrophobicContact CD1-CG2 4.05Å; V58-V79 HydrophobicContact CG2-CG2 3.42Å; V58-V79 VanDerWaalsContact CG2-CG2 3.42Å; L75-V79 VanDerWaalsContact O-CG2 3.27Å; L75-V79 WeakPolarHBondContact O-CG2 3.38Å; L75-V79 PolarHBondContact O-N 3.18Å; I76-V79 PolarHBondContact O-N 3.39Å; I76-V79 VanDerWaalsContact O-N 3.08Å; E77-V79 VanDerWaalsContact C-N 3.32Å; E77-V79 PolarHBondContact O-N 3.07Å; V79-R82 WeakPolarHBondContact O-CA 3.48Å; V79-R82 WeakPolarHBondContact O-CB 3.35Å; V79-R82 PolarHBondContact O-N 3.47Å; V79-F83 HydrophobicContact CG1-CD2 3.41Å; V79-F83 VanDerWaalsContact CG1-CD2 3.41Å; V79-F83 HydrophobicContact CG1-CE2 3.4Å; V79-F83 VanDerWaalsContact CG1-CE2 3.4Å; V79-F83 VanDerWaalsContact O-CD2 3.29Å; V79-F83 WeakPolarHBondContact O-CD2 3.4Å; V79-F83 PolarHBondContact O-N 3.02Å
80R87.6Confident70.7Confident78 Ų7863.3 Ų63.329%0.29433%0.334SS..Hα-helixtrans-54-56.6172.5-75.6-176.7172.6149.8-3.6110I18 E22 I76 E77 R82 F83 D84I18-R80 HydrophobicContact CD1-CB 4.27Å; I18-R80 HydrophobicContact CD1-CG 4.03Å; E22-R80 IonicContact OE1-CZ 3.82Å; E22-R80 IonicContact OE1-NE 3.46Å; E22-R80 PolarHBondContact OE1-NE 3.26Å; E22-R80 IonicContact OE1-NH2 3.55Å; E22-R80 PolarHBondContact OE1-NH2 3.15Å; E22-R80 IonicContact OE2-CZ 2.82Å; E22-R80 IonicContact OE2-NE 2.75Å; E22-R80 IonicContact OE2-NH2 3.61Å; E22-R80 PolarHBondContact OE2-NH2 3.16Å; I76-R80 HydrophobicContact CG2-CG 4.13Å; I76-R80 WeakPolarHBondContact O-CB 3.47Å; I76-R80 WeakPolarHBondContact O-CG 3.38Å; I76-R80 PolarHBondContact O-N 3.48Å; E77-R80 PolarHBondContact O-N 3.1Å; E77-R80 WeakPolarHBondContact OE1-CD 3.33Å; E77-R80 IonicContact OE1-CZ 3Å; E77-R80 IonicContact OE1-NH1 3.3Å; E77-R80 PolarHBondContact OE1-NH1 3.45Å; R80-R82 PolarHBondContact O-N 2.62Å; R80-F83 CarbonylContact O-C 3.59Å; R80-F83 PolarHBondContact O-N 3.04Å; R80-D84 WeakPolarHBondContact O-CA 3.21Å; R80-D84 WeakPolarHBondContact O-CB 3.34Å; R80-D84 PolarHBondContact O-N 3.01Å
81T79.7Confident67.9Low104 Ų10467.4 Ų67.464%0.63836%0.364SS*.Hα-helixtrans-53.9-26177.5-54.40000113.5E77E77-T81 VanDerWaalsContact O-CB 3.28Å; E77-T81 WeakPolarHBondContact O-CB 3.3Å; E77-T81 PolarHBondContact O-N 3.45Å; E77-T81 PolarHBondContact O-OG1 2.96Å
82R79Confident65.2Low125 Ų12567.9 Ų67.947%0.47237%0.372SS..Hα-helixtrans-84-29.2177.8-162.464.7177.2111.315.1113.6L57 V78 V79 R80 D97L57-R82 HydrophobicContact CD1-CG 4.12Å; L57-R82 HydrophobicContact CD2-CB 4.07Å; L57-R82 HydrophobicContact CD2-CG 3.84Å; L57-R82 HydrophobicContact CG-CG 4.07Å; V78-R82 PolarHBondContact O-N 2.85Å; V79-R82 WeakPolarHBondContact O-CA 3.48Å; V79-R82 WeakPolarHBondContact O-CB 3.35Å; V79-R82 PolarHBondContact O-N 3.47Å; R80-R82 PolarHBondContact O-N 2.62Å; R82-D97 IonicContact CZ-OD2 3.61Å; R82-D97 IonicContact NH1-OD2 2.76Å; R82-D97 IonicContact NH2-OD2 3.08Å; R82-D97 PolarHBondContact NH2-OD2 3.13Å
83F70.1Confident62.4Low35 Ų3569.9 Ų69.915%0.15438%0.381CS..Hα-helixtrans-101.2-21.1178.4-71.6-60.4000114.2F12 V14 I18 W21 L54 L57 V79 R80 P85F12-F83 AromaticContact CE1-CE2 3.58Å; F12-F83 HydrophobicContact CE1-CE2 3.58Å; F12-F83 AromaticContact CE1-CZ 3.62Å; F12-F83 HydrophobicContact CE1-CZ 3.62Å; F12-F83 HydrophobicContact CZ-CE2 4.12Å; F12-F83 HydrophobicContact CZ-CZ 4.2Å; V14-F83 HydrophobicContact CB-CZ 4.33Å; V14-F83 HydrophobicContact CG1-CE1 3.83Å; V14-F83 HydrophobicContact CG1-CZ 3.58Å; V14-F83 WeakPolarHBondContact O-CE1 3.29Å; I18-F83 HydrophobicContact CB-CB 3.97Å; I18-F83 HydrophobicContact CD1-CB 3.94Å; W21-F83 HydrophobicContact CB-CD2 4.39Å; W21-F83 HydrophobicContact CG-CD2 4.49Å; L54-F83 HydrophobicContact CD1-CE2 4.25Å; L57-F83 HydrophobicContact CD1-CE1 4.18Å; L57-F83 HydrophobicContact CD1-CE2 4.15Å; L57-F83 HydrophobicContact CD1-CZ 3.65Å; V79-F83 HydrophobicContact CG1-CD2 3.41Å; V79-F83 VanDerWaalsContact CG1-CD2 3.41Å; V79-F83 HydrophobicContact CG1-CE2 3.4Å; V79-F83 VanDerWaalsContact CG1-CE2 3.4Å; V79-F83 VanDerWaalsContact O-CD2 3.29Å; V79-F83 WeakPolarHBondContact O-CD2 3.4Å; V79-F83 PolarHBondContact O-N 3.02Å; R80-F83 CarbonylContact O-C 3.59Å; R80-F83 PolarHBondContact O-N 3.04Å; F83-P85 VanDerWaalsContact O-CD 3.3Å; F83-P85 WeakPolarHBondContact O-CD 3.38Å
84D57.1Low59.6Low98 Ų9867.9 Ų67.952%0.52438%0.38SS..SBendtrans-73.5111.7177.5-163.413.5000105.9R80 I86R80-D84 WeakPolarHBondContact O-CA 3.21Å; R80-D84 WeakPolarHBondContact O-CB 3.34Å; R80-D84 PolarHBondContact O-N 3.01Å; D84-I86 PolarHBondContact O-N 2.98Å; D84-I86 VanDerWaalsContact O-N 3.07Å
85P46.8Very low57.2Low61 Ų6166.6 Ų66.640%0.39638%0.376SS..  trans-66.1116.4-175.425.9-31.5000107.6F83 P87F83-P85 VanDerWaalsContact O-CD 3.3Å; F83-P85 WeakPolarHBondContact O-CD 3.38Å; P85-P87 VanDerWaalsContact O-CD 3.27Å; P85-P87 WeakPolarHBondContact O-CD 3.42Å
86I33.5Very low54.6Low135 Ų13569 Ų6969%0.69239%0.393SS*.  trans-46.4115.4142.4-59.9171.1000104.3D84 G88 V89D84-I86 PolarHBondContact O-N 2.98Å; D84-I86 VanDerWaalsContact O-N 3.07Å; I86-G88 PolarHBondContact O-N 3.47Å; I86-G88 VanDerWaalsContact O-N 3.13Å; I86-V89 PolarHBondContact O-N 2.88Å
87P28.6Very low52.1Low70 Ų7071 Ų7146%0.45540%0.403SS..THydrogen-bonded Turntrans-61.3126.8-170.126.5-33.5000107.6P85 D268P85-P87 VanDerWaalsContact O-CD 3.27Å; P85-P87 WeakPolarHBondContact O-CD 3.42Å; P87-D268 WeakPolarHBondContact CB-OD1 3.5Å; P87-D268 HydrophobicContact CG-CB 4.23Å; P87-D268 VanDerWaalsContact CG-CG 3.5Å; P87-D268 WeakPolarHBondContact CG-OD1 3.48Å
88G30.6Very low50.1Low42 Ų4268.9 Ų68.943%0.43340%0.397SS..THydrogen-bonded Turntrans1242.4-166.800000116.6I86I86-G88 PolarHBondContact O-N 3.47Å; I86-G88 VanDerWaalsContact O-N 3.13Å
89V28.8Very low48.2Very low56 Ų5667.6 Ų67.634%0.33939%0.391SS..  trans-126.188-171.9160.90000110.4I86 Q93I86-V89 PolarHBondContact O-N 2.88Å; V89-Q93 VanDerWaalsContact CA-OE1 3.3Å; V89-Q93 HydrophobicContact CB-CG 4.31Å; V89-Q93 HydrophobicContact CG1-CB 3.53Å; V89-Q93 HydrophobicContact CG1-CG 3.24Å; V89-Q93 HydrophobicContact CG2-CG 4.5Å
90Y33Very low46.3Very low84 Ų8469.2 Ų69.233%0.32940%0.404SS..  trans-59.5163.2173.2-74.3-78.6000111.1A92 Q93 A230 F233 S234 W267Y90-A92 CarbonylContact O-C 3.53Å; Y90-A92 PolarHBondContact O-N 2.96Å; Y90-Q93 WeakPolarHBondContact O-CB 3.49Å; Y90-Q93 PolarHBondContact O-N 2.89Å; Y90-Q93 PolarHBondContact O-OE1 3.03Å; Y90-A230 PolarHBondContact OH-O 2.78Å; Y90-F233 WeakPolarHBondContact OH-CB 2.9Å; Y90-S234 PolarHBondContact OH-N 3.19Å; Y90-W267 HydrophobicContact CE2-CZ3 4.46Å
91P32.5Very low45Very low121 Ų12169.5 Ų69.579%0.78641%0.409SS*.THydrogen-bonded Turntrans-58.6-3.3169.1-18.731.1000114.2Q93 A94P91-Q93 PolarHBondContact O-N 3.09Å; P91-Q93 VanDerWaalsContact O-N 3.17Å; P91-A94 PolarHBondContact O-N 2.9Å
92A35.5Very low44.2Very low62 Ų6267 Ų6751%0.51239%0.389SS..Hα-helixtrans-54.2-19.315700000112.6Y90 A94 D95 S96Y90-A92 CarbonylContact O-C 3.53Å; Y90-A92 PolarHBondContact O-N 2.96Å; A92-A94 VanDerWaalsContact C-N 3.31Å; A92-A94 PolarHBondContact O-N 3.47Å; A92-D95 CarbonylContact O-C 3.57Å; A92-D95 WeakPolarHBondContact O-CA 3.31Å; A92-D95 PolarHBondContact O-N 3.43Å; A92-S96 WeakPolarHBondContact O-CB 3.23Å; A92-S96 PolarHBondContact O-N 3.25Å
93Q32.5Very low43.3Very low60 Ų6064 Ų6428%0.2838%0.382SS..Hα-helixtrans-69.5-19.4176.6-117.383.1-1.100114.8V89 Y90 P91 D95 S96 D97V89-Q93 VanDerWaalsContact CA-OE1 3.3Å; V89-Q93 HydrophobicContact CB-CG 4.31Å; V89-Q93 HydrophobicContact CG1-CB 3.53Å; V89-Q93 HydrophobicContact CG1-CG 3.24Å; V89-Q93 HydrophobicContact CG2-CG 4.5Å; Y90-Q93 WeakPolarHBondContact O-CB 3.49Å; Y90-Q93 PolarHBondContact O-N 2.89Å; Y90-Q93 PolarHBondContact O-OE1 3.03Å; P91-Q93 PolarHBondContact O-N 3.09Å; P91-Q93 VanDerWaalsContact O-N 3.17Å; Q93-D95 PolarHBondContact O-N 3.17Å; Q93-S96 WeakPolarHBondContact CA-OG 3.37Å; Q93-S96 VanDerWaalsContact CD-OG 3.32Å; Q93-S96 VanDerWaalsContact CG-OG 3.28Å; Q93-S96 WeakPolarHBondContact CG-OG 3.21Å; Q93-D97 WeakPolarHBondContact O-CA 3.5Å; Q93-D97 WeakPolarHBondContact O-CB 3.21Å; Q93-D97 PolarHBondContact O-N 2.93Å
94A33.9Very low43.2Very low70 Ų7067.2 Ų67.258%0.57939%0.393SS*.Hα-helixtrans-63.9-37.5166.800000109.7P91 A92 V98P91-A94 PolarHBondContact O-N 2.9Å; A92-A94 VanDerWaalsContact C-N 3.31Å; A92-A94 PolarHBondContact O-N 3.47Å; A94-V98 WeakPolarHBondContact O-CG2 3.49Å; A94-V98 PolarHBondContact O-N 3.12Å
95D41.2Very low43.8Very low60 Ų6066.4 Ų66.432%0.32139%0.386SS..Hα-helixtrans-89-25.5177.9-98.7-27.4000114.2A92 Q93 V98 G99 L158 K161A92-D95 CarbonylContact O-C 3.57Å; A92-D95 WeakPolarHBondContact O-CA 3.31Å; A92-D95 PolarHBondContact O-N 3.43Å; Q93-D95 PolarHBondContact O-N 3.17Å; D95-V98 CarbonylContact O-C 3.45Å; D95-V98 WeakPolarHBondContact O-CB 3.07Å; D95-V98 PolarHBondContact O-N 3.2Å; D95-G99 PolarHBondContact O-N 3.32Å; D95-L158 VanDerWaalsContact OD2-CD2 3.31Å; D95-L158 WeakPolarHBondContact OD2-CD2 3.28Å; D95-K161 IonicContact OD1-NZ 3.72Å; D95-K161 PolarHBondContact OD1-NZ 3.46Å; D95-K161 IonicContact OD2-NZ 3.6Å
96S37.9Very low45.1Very low50 Ų5064.4 Ų64.435%0.3537%0.371SS..Hα-helixtrans-81.8-26.3171.594.80000111.2A92 Q93 G99 A100A92-S96 WeakPolarHBondContact O-CB 3.23Å; A92-S96 PolarHBondContact O-N 3.25Å; Q93-S96 WeakPolarHBondContact CA-OG 3.37Å; Q93-S96 VanDerWaalsContact CD-OG 3.32Å; Q93-S96 VanDerWaalsContact CG-OG 3.28Å; Q93-S96 WeakPolarHBondContact CG-OG 3.21Å; S96-G99 CarbonylContact O-C 3.11Å; S96-G99 PolarHBondContact O-N 3.37Å; S96-A100 VanDerWaalsContact O-CB 3.29Å; S96-A100 WeakPolarHBondContact O-CB 3.19Å; S96-A100 PolarHBondContact O-N 3.38Å
97D39.5Very low46.8Very low50 Ų5067.6 Ų67.627%0.26737%0.374SS..Hα-helixtrans-72.6-31.9162.7-83.5-14.9000110.6R82 Q93 G99 Q101R82-D97 IonicContact CZ-OD2 3.61Å; R82-D97 IonicContact NH1-OD2 2.76Å; R82-D97 IonicContact NH2-OD2 3.08Å; R82-D97 PolarHBondContact NH2-OD2 3.13Å; Q93-D97 WeakPolarHBondContact O-CA 3.5Å; Q93-D97 WeakPolarHBondContact O-CB 3.21Å; Q93-D97 PolarHBondContact O-N 2.93Å; D97-G99 VanDerWaalsContact C-N 3.34Å; D97-Q101 WeakPolarHBondContact O-CA 3.46Å; D97-Q101 WeakPolarHBondContact O-CB 3.38Å; D97-Q101 PolarHBondContact O-N 3.24Å
98V46.8Very low48.8Very low51 Ų5174.3 Ų74.331%0.30939%0.39SS..Hα-helixtrans-63.8-41.6166.3168.60000109.9A94 D95 Q101 K102A94-V98 WeakPolarHBondContact O-CG2 3.49Å; A94-V98 PolarHBondContact O-N 3.12Å; D95-V98 CarbonylContact O-C 3.45Å; D95-V98 WeakPolarHBondContact O-CB 3.07Å; D95-V98 PolarHBondContact O-N 3.2Å; V98-Q101 PolarHBondContact O-N 3.03Å; V98-K102 HydrophobicContact CG1-CD 4.09Å; V98-K102 HydrophobicContact CG1-CG 4.41Å; V98-K102 VanDerWaalsContact O-CB 3.26Å; V98-K102 WeakPolarHBondContact O-CB 3.3Å; V98-K102 VanDerWaalsContact O-CG 3.25Å; V98-K102 WeakPolarHBondContact O-CG 3.08Å; V98-K102 PolarHBondContact O-N 3.27Å
99G49Very low50.4Low8 Ų875.9 Ų75.98%0.08239%0.387CS..Hα-helixtrans-61.9-50173.100000112.3D95 S96 D97 Q101 K102 L103 C181D95-G99 PolarHBondContact O-N 3.32Å; S96-G99 CarbonylContact O-C 3.11Å; S96-G99 PolarHBondContact O-N 3.37Å; D97-G99 VanDerWaalsContact C-N 3.34Å; G99-Q101 VanDerWaalsContact C-N 3.34Å; G99-Q101 PolarHBondContact O-N 2.76Å; G99-K102 PolarHBondContact O-N 3.08Å; G99-L103 WeakPolarHBondContact O-CB 3.31Å; G99-L103 VanDerWaalsContact O-CG 3.24Å; G99-L103 WeakPolarHBondContact O-CG 3.25Å; G99-L103 PolarHBondContact O-N 3.47Å; G99-C181 VanDerWaalsContact CA-SG 3.51Å
100A49.5Very low52Low33 Ų3376 Ų7627%0.27340%0.399SS..Hα-helixtrans-67.3-32.8177.400000112.6S96 R104S96-A100 VanDerWaalsContact O-CB 3.29Å; S96-A100 WeakPolarHBondContact O-CB 3.19Å; S96-A100 PolarHBondContact O-N 3.38Å; A100-R104 WeakPolarHBondContact O-CB 3.28Å; A100-R104 VanDerWaalsContact O-CG 3.24Å; A100-R104 WeakPolarHBondContact O-CG 3.31Å; A100-R104 PolarHBondContact O-N 3.03Å; A100-R104 PolarHBondContact O-NE 3.4Å
101Q59.9Low53.5Low85 Ų8577.4 Ų77.440%0.39743%0.428SS..Hα-helixtrans-68.3-46.9172.3177.2171.3-1700110.7D97 V98 G99 R104 E105D97-Q101 WeakPolarHBondContact O-CA 3.46Å; D97-Q101 WeakPolarHBondContact O-CB 3.38Å; D97-Q101 PolarHBondContact O-N 3.24Å; V98-Q101 PolarHBondContact O-N 3.03Å; G99-Q101 VanDerWaalsContact C-N 3.34Å; G99-Q101 PolarHBondContact O-N 2.76Å; Q101-R104 CarbonylContact O-C 3.49Å; Q101-R104 WeakPolarHBondContact O-CA 3.24Å; Q101-R104 WeakPolarHBondContact O-CB 3.48Å; Q101-R104 PolarHBondContact O-N 3.19Å; Q101-R104 VanDerWaalsContact O-N 3.1Å; Q101-E105 HydrophobicContact CG-CG 4.47Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.29Å; Q101-E105 PolarHBondContact NE2-OE1 2.92Å; Q101-E105 WeakPolarHBondContact O-CG 3.24Å; Q101-E105 PolarHBondContact O-N 3.14Å
102K62.7Low55.9Low50 Ų5074.7 Ų74.722%0.21741%0.407CS..Hα-helixtrans-59.4-47.3174.7-79.6179.5172.2-171.20111.3V98 G99 R104 E105 W106 A180 C181V98-K102 HydrophobicContact CG1-CD 4.09Å; V98-K102 HydrophobicContact CG1-CG 4.41Å; V98-K102 VanDerWaalsContact O-CB 3.26Å; V98-K102 WeakPolarHBondContact O-CB 3.3Å; V98-K102 VanDerWaalsContact O-CG 3.25Å; V98-K102 WeakPolarHBondContact O-CG 3.08Å; V98-K102 PolarHBondContact O-N 3.27Å; G99-K102 PolarHBondContact O-N 3.08Å; K102-R104 VanDerWaalsContact C-N 3.25Å; K102-R104 PolarHBondContact O-N 2.96Å; K102-E105 CarbonylContact O-C 3.46Å; K102-E105 WeakPolarHBondContact O-CA 3.41Å; K102-E105 WeakPolarHBondContact O-CB 3.33Å; K102-E105 PolarHBondContact O-N 3.37Å; K102-W106 WeakPolarHBondContact O-CB 3.33Å; K102-W106 PolarHBondContact O-N 3.05Å; K102-A180 WeakPolarHBondContact CD-O 3.27Å; K102-A180 WeakPolarHBondContact CE-O 3.46Å; K102-A180 PolarHBondContact NZ-O 3.46Å; K102-C181 HydrophobicContact CD-CB 4.44Å
103L60Low58Low63 Ų6374.1 Ų74.133%0.3340%0.397SS..Hα-helixtrans-58.6-36.1174-70.7171.1000112.3G99 W106 R107G99-L103 WeakPolarHBondContact O-CB 3.31Å; G99-L103 VanDerWaalsContact O-CG 3.24Å; G99-L103 WeakPolarHBondContact O-CG 3.25Å; G99-L103 PolarHBondContact O-N 3.47Å; L103-W106 HydrophobicContact CD2-CE3 3.88Å; L103-W106 HydrophobicContact CD2-CZ3 4.11Å; L103-R107 VanDerWaalsContact O-CG 3.31Å; L103-R107 WeakPolarHBondContact O-CG 3.3Å; L103-R107 PolarHBondContact O-N 2.71Å; L103-R107 VanDerWaalsContact O-N 3.11Å
104R67Low60.1Low102 Ų10272.8 Ų72.839%0.38539%0.394SS..Hα-helixtrans-69.7-36.6172.9-78.7177.4-70.5-129.5-0.4113A100 Q101 K102A100-R104 WeakPolarHBondContact O-CB 3.28Å; A100-R104 VanDerWaalsContact O-CG 3.24Å; A100-R104 WeakPolarHBondContact O-CG 3.31Å; A100-R104 PolarHBondContact O-N 3.03Å; A100-R104 PolarHBondContact O-NE 3.4Å; Q101-R104 CarbonylContact O-C 3.49Å; Q101-R104 WeakPolarHBondContact O-CA 3.24Å; Q101-R104 WeakPolarHBondContact O-CB 3.48Å; Q101-R104 PolarHBondContact O-N 3.19Å; Q101-R104 VanDerWaalsContact O-N 3.1Å; K102-R104 VanDerWaalsContact C-N 3.25Å; K102-R104 PolarHBondContact O-N 2.96Å
105E70.2Confident62Low82 Ų8274.5 Ų74.538%0.38339%0.393SS..Hα-helixtrans-66.6-41.7173.8-72.4166.4-172.900110.5Q101 K102 R107 R108 Q109Q101-E105 HydrophobicContact CG-CG 4.47Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.29Å; Q101-E105 PolarHBondContact NE2-OE1 2.92Å; Q101-E105 WeakPolarHBondContact O-CG 3.24Å; Q101-E105 PolarHBondContact O-N 3.14Å; K102-E105 CarbonylContact O-C 3.46Å; K102-E105 WeakPolarHBondContact O-CA 3.41Å; K102-E105 WeakPolarHBondContact O-CB 3.33Å; K102-E105 PolarHBondContact O-N 3.37Å; E105-R107 PolarHBondContact O-N 3.14Å; E105-R108 WeakPolarHBondContact O-CB 3.45Å; E105-R108 PolarHBondContact O-N 3.27Å; E105-Q109 PolarHBondContact O-N 3.43Å
106W73.9Confident63.5Low18 Ų1873.3 Ų73.37%0.06839%0.387CS..Hα-helixtrans-61.4-42.6177.3-69.68.4000112.5K102 L103 R108 Q109 L115 S179 C181 D184 L186K102-W106 WeakPolarHBondContact O-CB 3.33Å; K102-W106 PolarHBondContact O-N 3.05Å; L103-W106 HydrophobicContact CD2-CE3 3.88Å; L103-W106 HydrophobicContact CD2-CZ3 4.11Å; W106-R108 PolarHBondContact O-N 3.3Å; W106-Q109 WeakPolarHBondContact O-CB 3.34Å; W106-Q109 PolarHBondContact O-N 3.18Å; W106-L115 HydrophobicContact CE3-CD1 3.88Å; W106-L115 HydrophobicContact CH2-CD1 4.27Å; W106-L115 HydrophobicContact CZ3-CD1 3.38Å; W106-S179 WeakPolarHBondContact CZ2-O 3.13Å; W106-S179 PolarHBondContact NE1-OG 2.97Å; W106-C181 HydrophobicContact CH2-CB 3.54Å; W106-C181 HydrophobicContact CZ2-CB 3.76Å; W106-C181 HydrophobicContact CZ3-CB 4.27Å; W106-D184 HydrophobicContact CH2-CB 3.65Å; W106-D184 WeakPolarHBondContact CH2-O 3.45Å; W106-D184 HydrophobicContact CZ3-CB 3.72Å; W106-L186 HydrophobicContact CB-CD2 3.68Å; W106-L186 HydrophobicContact CD2-CB 3.64Å; W106-L186 HydrophobicContact CD2-CD2 3.94Å; W106-L186 HydrophobicContact CD2-CG 4.26Å; W106-L186 HydrophobicContact CE3-CB 3.9Å; W106-L186 HydrophobicContact CE3-CD1 4.42Å; W106-L186 HydrophobicContact CG-CB 4.12Å; W106-L186 HydrophobicContact CG-CD2 3.49Å; W106-L186 VanDerWaalsContact CG-CD2 3.49Å; W106-L186 HydrophobicContact CG-CG 4.31Å; W106-L186 HydrophobicContact CH2-CB 4.18Å; W106-L186 HydrophobicContact CZ2-CB 3.94Å; W106-L186 HydrophobicContact CZ3-CB 4.18Å
107R68.9Low65.1Low203 Ų20375.7 Ų75.777%0.76640%0.395SS*.THydrogen-bonded Turntrans-61.9-14.5174.5-72.3173.8-165.4164.14.8114.2L103 E105L103-R107 VanDerWaalsContact O-CG 3.31Å; L103-R107 WeakPolarHBondContact O-CG 3.3Å; L103-R107 PolarHBondContact O-N 2.71Å; L103-R107 VanDerWaalsContact O-N 3.11Å; E105-R107 PolarHBondContact O-N 3.14Å
108R72.2Confident66.5Low210 Ų21074 Ų7479%0.79239%0.386SS*.THydrogen-bonded Turntrans-99.6-7.1176.7-65.4175178.4160.3-1.6112.9E105 W106E105-R108 WeakPolarHBondContact O-CB 3.45Å; E105-R108 PolarHBondContact O-N 3.27Å; W106-R108 PolarHBondContact O-N 3.3Å
109Q63.9Low67.4Low76 Ų7676.8 Ų76.836%0.35540%0.399SS..SBendtrans-71.9154175.3-63.1-162.11.200110.1E105 W106 V113 L186E105-Q109 PolarHBondContact O-N 3.43Å; W106-Q109 WeakPolarHBondContact O-CB 3.34Å; W106-Q109 PolarHBondContact O-N 3.18Å; Q109-V113 HydrophobicContact CB-CG1 3.97Å; Q109-L186 HydrophobicContact CB-CD2 4.25Å; Q109-L186 VanDerWaalsContact CD-CD2 3.46Å; Q109-L186 HydrophobicContact CG-CD2 4.14Å
110G63Low68.4Low58 Ų5883 Ų8360%0.59842%0.424SS*.  trans-64.6-171-168.300000114.5N112G110-N112 VanDerWaalsContact C-N 3.31Å; G110-N112 PolarHBondContact O-N 3.39Å
111A63.8Low69.4Low114 Ų11481.7 Ų81.794%0.94241%0.413SS*.SBendtrans-72.5-20.5-173.200000114.3V113A111-V113 PolarHBondContact O-N 2.99Å
112N82.4Confident69.9Low64 Ų6478.7 Ų78.734%0.34240%0.399SS..SBendtrans-104.562.2-173-158.224.8000112.4G110 E189 D190G110-N112 VanDerWaalsContact C-N 3.31Å; G110-N112 PolarHBondContact O-N 3.39Å; N112-E189 PolarHBondContact O-N 3.3Å; N112-D190 PolarHBondContact ND2-OD1 2.69Å
113V80.4Confident70.5Confident50 Ų5079.3 Ų79.330%0.30341%0.405SS..EExtended strand (participates in β ladder)trans-123.9142.9178.2-62.60000111.3Q109 A111 L186 V187Q109-V113 HydrophobicContact CB-CG1 3.97Å; A111-V113 PolarHBondContact O-N 2.99Å; V113-L186 HydrophobicContact CB-CD1 4.02Å; V113-L186 HydrophobicContact CB-CG 4.33Å; V113-L186 HydrophobicContact CG2-CD1 4.14Å; V113-V187 CarbonylContact C-O 3.51Å; V113-V187 WeakPolarHBondContact CA-O 3.39Å
114S76.9Confident71.2Confident31 Ų3180.6 Ų80.622%0.21741%0.409CS..EExtended strand (participates in β ladder)trans-115.7141.916944.40000111.3L186 V187 E189S114-L186 CarbonylContact O-C 3.56Å; S114-L186 WeakPolarHBondContact O-CA 3.28Å; S114-V187 PolarHBondContact N-O 2.93Å; S114-V187 PolarHBondContact O-N 2.93Å; S114-E189 WeakPolarHBondContact CB-OE1 3.39Å; S114-E189 PolarHBondContact OG-OE1 3.49Å
115L73.8Confident71.5Confident106 Ų10676.3 Ų76.356%0.55539%0.393SS*.EExtended strand (participates in β ladder)trans-105.3130.7176.1-179.167.7000109.2W106 D184 L186W106-L115 HydrophobicContact CE3-CD1 3.88Å; W106-L115 HydrophobicContact CH2-CD1 4.27Å; W106-L115 HydrophobicContact CZ3-CD1 3.38Å; L115-D184 HydrophobicContact CD1-CB 4.2Å; L115-L186 HydrophobicContact CB-CD1 4.46Å; L115-L186 HydrophobicContact CD1-CD1 4.41Å
116I71.3Confident71.8Confident36 Ų3679.9 Ų79.919%0.18540%0.403CS..EExtended strand (participates in β ladder)trans-126.2118.4-174.2-58.3-178.3000109.1D184 I185 V187 W197I116-D184 CarbonylContact O-C 3.55Å; I116-D184 WeakPolarHBondContact O-CA 3.35Å; I116-I185 PolarHBondContact N-O 3.44Å; I116-I185 PolarHBondContact O-N 3.25Å; I116-V187 HydrophobicContact CD1-CG2 3.71Å; I116-V187 HydrophobicContact CG1-CG2 4.39Å; I116-W197 HydrophobicContact CD1-CD2 4.34Å; I116-W197 HydrophobicContact CD1-CZ2 3.4Å; I116-W197 VanDerWaalsContact CD1-CZ2 3.4Å; I116-W197 HydrophobicContact CG2-CZ2 4.34Å
117D71.9Confident71.4Confident99 Ų9979.6 Ų79.653%0.52940%0.403SS..EExtended strand (participates in β ladder)trans-89.9123.6172.9173.477000109.8N119D117-N119 PolarHBondContact O-N 2.95Å; D117-N119 VanDerWaalsContact O-N 3.09Å
118L69.3Low71.7Confident14 Ų1472.1 Ų72.17%0.07338%0.378CS..  trans-76.993.8172.6-64.9176.2000109.9K120 A121 V164 D183 I185 L201 M204L118-K120 PolarHBondContact O-N 3.33Å; L118-A121 HydrophobicContact CB-CB 3.63Å; L118-A121 HydrophobicContact CD1-CB 4.32Å; L118-A121 WeakPolarHBondContact O-CB 3.21Å; L118-A121 PolarHBondContact O-N 2.91Å; L118-V164 HydrophobicContact CD1-CG2 3.85Å; L118-D183 HydrophobicContact CB-CB 4.27Å; L118-D183 VanDerWaalsContact CB-O 3.31Å; L118-D183 WeakPolarHBondContact CB-O 3.16Å; L118-D183 VanDerWaalsContact CG-O 3.23Å; L118-D183 WeakPolarHBondContact CG-O 3.4Å; L118-D183 PolarHBondContact N-O 3.12Å; L118-I185 HydrophobicContact CD1-CD1 4.14Å; L118-I185 HydrophobicContact CD2-CD1 4.21Å; L118-I185 HydrophobicContact CG-CD1 4.25Å; L118-L201 HydrophobicContact CD2-CD2 4.48Å; L118-M204 HydrophobicContact CD1-CE 3.44Å; L118-M204 VanDerWaalsContact CD1-CE 3.44Å; L118-M204 HydrophobicContact CD2-CE 3.77Å; L118-M204 HydrophobicContact CD2-SD 4.16Å; L118-M204 HydrophobicContact CG-CE 4.25Å
119N65.7Low71.8Confident110 Ų11068 Ų6859%0.58837%0.368SS*.THydrogen-bonded Turntrans-51.7116.2-179.6-176.82000112.7D117 A121 Q124D117-N119 PolarHBondContact O-N 2.95Å; D117-N119 VanDerWaalsContact O-N 3.09Å; N119-A121 PolarHBondContact O-N 3.42Å; N119-Q124 PolarHBondContact O-NE2 3.44Å
120K69Low72.2Confident140 Ų14067.5 Ų67.561%0.60937%0.373SS*.THydrogen-bonded Turntrans55.337.1-178.2-63.2170-175.7-179.60112.9L118 H122 L123 Q124L118-K120 PolarHBondContact O-N 3.33Å; K120-H122 VanDerWaalsContact C-N 3.27Å; K120-H122 PolarHBondContact O-N 3.26Å; K120-H122 VanDerWaalsContact O-N 3.1Å; K120-L123 HydrophobicContact CB-CB 4.28Å; K120-L123 HydrophobicContact CB-CD1 4.4Å; K120-L123 HydrophobicContact CD-CD1 4.5Å; K120-L123 WeakPolarHBondContact O-CA 3.39Å; K120-L123 PolarHBondContact O-N 2.89Å; K120-Q124 PolarHBondContact O-N 3.49Å
121A70.8Confident72.4Confident5 Ų566.8 Ų66.84%0.04136%0.355CS..Hα-helixtrans-43.1-50.4-174.500000113.6L118 N119 L123 Q124 M160 D183L118-A121 HydrophobicContact CB-CB 3.63Å; L118-A121 HydrophobicContact CD1-CB 4.32Å; L118-A121 WeakPolarHBondContact O-CB 3.21Å; L118-A121 PolarHBondContact O-N 2.91Å; N119-A121 PolarHBondContact O-N 3.42Å; A121-L123 VanDerWaalsContact C-N 3.31Å; A121-L123 PolarHBondContact O-N 3.36Å; A121-Q124 VanDerWaalsContact O-CB 3.32Å; A121-Q124 WeakPolarHBondContact O-CB 3.31Å; A121-Q124 PolarHBondContact O-N 3.06Å; A121-M160 HydrophobicContact CB-CE 3.39Å; A121-M160 HydrophobicContact CB-SD 3.84Å; A121-M160 WeakPolarHBondContact O-CE 3.46Å; A121-D183 HydrophobicContact CB-CB 3.72Å
122H70.4Confident73.1Confident21 Ų2165 Ų6510%0.09732%0.324CS..Hα-helixtrans-56.4-45.4179.4-63.991.6000111.5K120 Q124 I125 L149 F151 M160K120-H122 VanDerWaalsContact C-N 3.27Å; K120-H122 PolarHBondContact O-N 3.26Å; K120-H122 VanDerWaalsContact O-N 3.1Å; H122-Q124 PolarHBondContact O-N 2.83Å; H122-Q124 VanDerWaalsContact O-N 3.16Å; H122-I125 PolarHBondContact O-N 2.75Å; H122-I125 VanDerWaalsContact O-N 3.11Å; H122-L149 CarbonylContact C-O 3.55Å; H122-L149 VanDerWaalsContact O-CB 3.29Å; H122-L149 WeakPolarHBondContact O-CB 3.28Å; H122-L149 PolarHBondContact O-N 3.38Å; H122-F151 HydrophobicContact CB-CE1 4.35Å; H122-M160 HydrophobicContact CB-CE 4.35Å; H122-M160 VanDerWaalsContact N-CE 3.28Å
123L76.5Confident72.7Confident64 Ų6465.2 Ų65.234%0.33533%0.329SS..Hα-helixtrans-72.5-7.9179.3-58.5178.7000113.9K120 A121 R148 F151K120-L123 HydrophobicContact CB-CB 4.28Å; K120-L123 HydrophobicContact CB-CD1 4.4Å; K120-L123 HydrophobicContact CD-CD1 4.5Å; K120-L123 WeakPolarHBondContact O-CA 3.39Å; K120-L123 PolarHBondContact O-N 2.89Å; A121-L123 VanDerWaalsContact C-N 3.31Å; A121-L123 PolarHBondContact O-N 3.36Å; L123-R148 HydrophobicContact CD2-CB 4.38Å; L123-R148 WeakPolarHBondContact O-CB 3.24Å; L123-R148 WeakPolarHBondContact O-CD 3.39Å; L123-R148 WeakPolarHBondContact O-CG 3.39Å; L123-F151 HydrophobicContact CD1-CE2 4Å; L123-F151 HydrophobicContact CD2-CE2 4.17Å; L123-F151 HydrophobicContact CG-CE2 3.97Å; L123-F151 HydrophobicContact CG-CZ 4.41Å
124Q74Confident72Confident89 Ų8965.1 Ų65.142%0.41632%0.324SS..Hα-helixtrans-81.1-28.1171.4-56.2-174.122.700111.7N119 K120 A121 H122 R126N119-Q124 PolarHBondContact O-NE2 3.44Å; K120-Q124 PolarHBondContact O-N 3.49Å; A121-Q124 VanDerWaalsContact O-CB 3.32Å; A121-Q124 WeakPolarHBondContact O-CB 3.31Å; A121-Q124 PolarHBondContact O-N 3.06Å; H122-Q124 PolarHBondContact O-N 2.83Å; H122-Q124 VanDerWaalsContact O-N 3.16Å; Q124-R126 PolarHBondContact O-N 2.91Å
125I72.3Confident71.5Confident12 Ų1264.7 Ų64.76%0.06232%0.318CS..SBendtrans-74.3118.1-179.6-64.9176.7000109.2H122 I127 R148 L149 I159 M160 V163 A208H122-I125 PolarHBondContact O-N 2.75Å; H122-I125 VanDerWaalsContact O-N 3.11Å; I125-I127 PolarHBondContact O-N 3.35Å; I125-R148 CarbonylContact O-C 3.45Å; I125-R148 WeakPolarHBondContact O-CA 3.32Å; I125-R148 WeakPolarHBondContact O-CD 3.47Å; I125-L149 HydrophobicContact CB-CB 3.96Å; I125-L149 HydrophobicContact CB-CD2 4.35Å; I125-L149 HydrophobicContact CD1-CD2 3.9Å; I125-L149 HydrophobicContact CG2-CB 4.06Å; I125-L149 HydrophobicContact CG2-CD2 4.37Å; I125-L149 PolarHBondContact O-N 3.31Å; I125-I159 HydrophobicContact CD1-CG2 4.19Å; I125-I159 HydrophobicContact CG2-CG2 4.39Å; I125-M160 HydrophobicContact CD1-CE 3.46Å; I125-M160 VanDerWaalsContact CD1-CE 3.46Å; I125-M160 HydrophobicContact CD1-SD 4.05Å; I125-M160 HydrophobicContact CG1-CE 4.26Å; I125-V163 HydrophobicContact CD1-CB 4.33Å; I125-V163 HydrophobicContact CD1-CG1 4.48Å; I125-V163 HydrophobicContact CD1-CG2 4.14Å; I125-A208 HydrophobicContact CB-CB 4.09Å; I125-A208 HydrophobicContact CG1-CB 3.9Å; I125-A208 HydrophobicContact CG2-CB 3.83Å
126R76.5Confident71.4Confident157 Ų15762.3 Ų62.359%0.59231%0.308SS*.BIsolated β-bridgetrans-71.5129.8172.5-66-163.4-179.6-164.82.8109.3Q124Q124-R126 PolarHBondContact O-N 2.91Å
127I67.4Low71.3Confident12 Ų1264.2 Ų64.26%0.06232%0.322CS..PPolyproline II helixtrans-78.4134.1165.3-66.1-61000105.8I125 L131 W132 Q135 T147 L149I125-I127 PolarHBondContact O-N 3.35Å; I127-L131 HydrophobicContact CG2-CB 3.4Å; I127-L131 HydrophobicContact CG2-CD1 4.29Å; I127-L131 HydrophobicContact CG2-CG 4.48Å; I127-W132 PolarHBondContact O-NE1 3.49Å; I127-Q135 VanDerWaalsContact CG1-NE2 3.29Å; I127-T147 PolarHBondContact N-O 3.05Å; I127-L149 HydrophobicContact CD1-CB 3.91Å; I127-L149 HydrophobicContact CD1-CD1 3.65Å; I127-L149 HydrophobicContact CD1-CG 4.42Å; I127-L149 HydrophobicContact CG1-CB 4.42Å
128D73.2Confident71.4Confident46 Ų4664.7 Ų64.725%0.24633%0.328CS..PPolyproline II helixtrans-57.2143.2175.7-166.6-95.9000110.2S130 L131 W132 R209D128-S130 PolarHBondContact O-N 2.98Å; D128-S130 VanDerWaalsContact O-N 3.16Å; D128-S130 WeakPolarHBondContact OD1-CB 3.48Å; D128-S130 PolarHBondContact OD1-N 3.41Å; D128-S130 PolarHBondContact OD1-OG 3.34Å; D128-L131 HydrophobicContact CB-CD1 4.42Å; D128-L131 HydrophobicContact CB-CG 4.5Å; D128-L131 WeakPolarHBondContact O-CA 3.47Å; D128-L131 WeakPolarHBondContact O-CB 3.48Å; D128-L131 PolarHBondContact O-N 3.27Å; D128-W132 PolarHBondContact O-N 3.49Å; D128-R209 IonicContact OD2-CZ 3.71Å; D128-R209 IonicContact OD2-NE 3.61Å; D128-R209 PolarHBondContact OD2-NE 2.82Å; D128-R209 IonicContact OD2-NH2 2.66Å
129E75.1Confident71.7Confident123 Ų12369.7 Ų69.758%0.57535%0.349SS*.G310 helixtrans-57.5-33.1-175.4-74.9178.2-160.300112L131 W132E129-L131 PolarHBondContact O-N 2.87Å; E129-L131 VanDerWaalsContact O-N 3.17Å; E129-W132 HydrophobicContact CB-CD2 4.44Å; E129-W132 HydrophobicContact CG-CD2 4.15Å; E129-W132 HydrophobicContact CG-CE3 4.32Å; E129-W132 HydrophobicContact CG-CH2 3.7Å; E129-W132 HydrophobicContact CG-CZ2 3.5Å; E129-W132 VanDerWaalsContact CG-CZ2 3.5Å; E129-W132 HydrophobicContact CG-CZ3 4.11Å; E129-W132 WeakPolarHBondContact O-CB 3.31Å; E129-W132 PolarHBondContact O-N 3.31Å; E129-W132 VanDerWaalsContact O-N 3.16Å
130S72.8Confident72.6Confident67 Ų6772.5 Ų72.547%0.46936%0.356SS..G310 helixtrans-58.1-25.3173600000113.6D128D128-S130 PolarHBondContact O-N 2.98Å; D128-S130 VanDerWaalsContact O-N 3.16Å; D128-S130 WeakPolarHBondContact OD1-CB 3.48Å; D128-S130 PolarHBondContact OD1-N 3.41Å; D128-S130 PolarHBondContact OD1-OG 3.34Å
131L67.5Low73.3Confident43 Ų4377.7 Ų77.723%0.22537%0.372CS..G310 helixtrans-97.7-6.9-177.9-62.9176000113.5I127 D128 E129 P133 Y134I127-L131 HydrophobicContact CG2-CB 3.4Å; I127-L131 HydrophobicContact CG2-CD1 4.29Å; I127-L131 HydrophobicContact CG2-CG 4.48Å; D128-L131 HydrophobicContact CB-CD1 4.42Å; D128-L131 HydrophobicContact CB-CG 4.5Å; D128-L131 WeakPolarHBondContact O-CA 3.47Å; D128-L131 WeakPolarHBondContact O-CB 3.48Å; D128-L131 PolarHBondContact O-N 3.27Å; E129-L131 PolarHBondContact O-N 2.87Å; E129-L131 VanDerWaalsContact O-N 3.17Å; L131-P133 VanDerWaalsContact C-CD 3.45Å; L131-Y134 HydrophobicContact CB-CD2 4.29Å; L131-Y134 HydrophobicContact CD2-CD2 3.95Å; L131-Y134 HydrophobicContact CD2-CE2 4.03Å; L131-Y134 WeakPolarHBondContact O-CD2 3.5Å; L131-Y134 PolarHBondContact O-N 3.32Å
132W78.4Confident73.7Confident75 Ų7585.8 Ų85.828%0.28440%0.401SS..SBendtrans-60.2-39.4179.4-68.96.8000114I127 D128 E129 Y134 Q135 C145 T147I127-W132 PolarHBondContact O-NE1 3.49Å; D128-W132 PolarHBondContact O-N 3.49Å; E129-W132 HydrophobicContact CB-CD2 4.44Å; E129-W132 HydrophobicContact CG-CD2 4.15Å; E129-W132 HydrophobicContact CG-CE3 4.32Å; E129-W132 HydrophobicContact CG-CH2 3.7Å; E129-W132 HydrophobicContact CG-CZ2 3.5Å; E129-W132 VanDerWaalsContact CG-CZ2 3.5Å; E129-W132 HydrophobicContact CG-CZ3 4.11Å; E129-W132 WeakPolarHBondContact O-CB 3.31Å; E129-W132 PolarHBondContact O-N 3.31Å; E129-W132 VanDerWaalsContact O-N 3.16Å; W132-Y134 PolarHBondContact O-N 2.85Å; W132-Q135 PolarHBondContact O-N 2.79Å; W132-C145 HydrophobicContact CB-CB 4.15Å; W132-C145 WeakPolarHBondContact O-CB 3.44Å; W132-T147 HydrophobicContact CD2-CG2 3.85Å; W132-T147 HydrophobicContact CE3-CG2 4.04Å; W132-T147 HydrophobicContact CH2-CG2 3.89Å; W132-T147 HydrophobicContact CZ2-CG2 3.68Å; W132-T147 HydrophobicContact CZ3-CG2 4.06Å
133P74.4Confident74.1Confident69 Ų6994.4 Ų94.445%0.44843%0.433SS..G310 helixtrans-54.6-37.5177.7-27.937.4000112.9L131 Q135 T136L131-P133 VanDerWaalsContact C-CD 3.45Å; P133-Q135 VanDerWaalsContact C-N 3.25Å; P133-Q135 PolarHBondContact O-N 3.25Å; P133-T136 VanDerWaalsContact O-CB 3.3Å; P133-T136 WeakPolarHBondContact O-CB 3.24Å; P133-T136 PolarHBondContact O-N 3.03Å; P133-T136 PolarHBondContact O-OG1 3.09Å
134Y64.5Low74.3Confident48 Ų4896.4 Ų96.419%0.18844%0.437CS..G310 helixtrans-70.4-16.7178-54.4-59000115.1L131 W132 T136 R250 I325 E327L131-Y134 HydrophobicContact CB-CD2 4.29Å; L131-Y134 HydrophobicContact CD2-CD2 3.95Å; L131-Y134 HydrophobicContact CD2-CE2 4.03Å; L131-Y134 WeakPolarHBondContact O-CD2 3.5Å; L131-Y134 PolarHBondContact O-N 3.32Å; W132-Y134 PolarHBondContact O-N 2.85Å; Y134-T136 VanDerWaalsContact C-N 3.35Å; Y134-R250 PolarHBondContact O-NH1 2.73Å; Y134-I325 HydrophobicContact CE1-CG2 4.47Å; Y134-I325 WeakPolarHBondContact OH-CB 3.37Å; Y134-I325 WeakPolarHBondContact OH-CG1 3.38Å; Y134-I325 WeakPolarHBondContact OH-CG2 3.45Å; Y134-E327 WeakPolarHBondContact CD1-OE1 3.38Å; Y134-E327 HydrophobicContact CE1-CG 4.04Å; Y134-E327 WeakPolarHBondContact CE1-OE1 3.2Å
135Q66.5Low74.4Confident22 Ų2294.7 Ų94.710%0.10343%0.434CS..G310 helixtrans-108.932.3-177.2-49-170.22900110.9I127 W132 P133 C145 L146 R148I127-Q135 VanDerWaalsContact CG1-NE2 3.29Å; W132-Q135 PolarHBondContact O-N 2.79Å; P133-Q135 VanDerWaalsContact C-N 3.25Å; P133-Q135 PolarHBondContact O-N 3.25Å; Q135-C145 CarbonylContact O-C 3.47Å; Q135-C145 WeakPolarHBondContact O-CA 3.31Å; Q135-L146 HydrophobicContact CB-CB 3.8Å; Q135-L146 HydrophobicContact CB-CD1 4.31Å; Q135-L146 PolarHBondContact O-N 2.59Å; Q135-R148 PolarHBondContact OE1-O 2.8Å
136T72.9Confident74.4Confident56 Ų5697.4 Ų97.434%0.34445%0.448SS..EExtended strand (participates in β ladder)trans-83132.6-178.6-62.70000111.6P133 Y134 R143 Y144P133-T136 VanDerWaalsContact O-CB 3.3Å; P133-T136 WeakPolarHBondContact O-CB 3.24Å; P133-T136 PolarHBondContact O-N 3.03Å; P133-T136 PolarHBondContact O-OG1 3.09Å; Y134-T136 VanDerWaalsContact C-N 3.35Å; T136-R143 HydrophobicContact CG2-CG 3.19Å; T136-Y144 CarbonylContact C-O 3.57Å; T136-Y144 VanDerWaalsContact CA-O 3.22Å; T136-Y144 WeakPolarHBondContact CA-O 3.3Å
137V67.2Low74.7Confident77 Ų7792 Ų9247%0.46743%0.433SS..EExtended strand (participates in β ladder)trans-124.5140.5171-62.40000109.8Y144V137-Y144 PolarHBondContact N-O 3.06Å; V137-Y144 PolarHBondContact O-N 3.41Å
138V76Confident75.4Confident108 Ų10894.9 Ų94.966%0.65544%0.443SS*.EExtended strand (participates in β ladder)trans-99.9118.4172.7179.60000108.5R142V138-R142 CarbonylContact C-O 3.41Å; V138-R142 WeakPolarHBondContact CA-O 3.4Å
139F74.1Confident75.3Confident120 Ų12092.7 Ų92.753%0.52643%0.431SS..EExtended strand (participates in β ladder)trans-130.6126.4177.5179-110.6000110R141 R142 Y144F139-R141 VanDerWaalsContact C-N 3.32Å; F139-R141 PolarHBondContact O-N 3.31Å; F139-R142 PolarHBondContact N-O 3.24Å; F139-R142 PolarHBondContact O-N 3.13Å; F139-R142 VanDerWaalsContact O-O 3.13Å; F139-Y144 HydrophobicContact CB-CD2 4.05Å; F139-Y144 HydrophobicContact CB-CE2 3.9Å; F139-Y144 HydrophobicContact CD1-CE2 4.3Å
140K85.4Confident74.9Confident168 Ų16887 Ų8773%0.7341%0.405SS*.THydrogen-bonded Turntrans49.149.6-178.8-64.1-176.7174.5-179.70113.1R142K140-R142 PolarHBondContact O-N 3.08Å; K140-R142 VanDerWaalsContact O-N 3.09Å
141R83.5Confident74.5Confident249 Ų24991 Ų9194%0.9441%0.414SS*.THydrogen-bonded Turntrans59.913.7-178.2-54.6-179.2177.2-178.7-1.5114.9F139F139-R141 VanDerWaalsContact C-N 3.32Å; F139-R141 PolarHBondContact O-N 3.31Å
142R79.9Confident74.2Confident175 Ų17593 Ų9366%0.6645%0.446SS*.EExtended strand (participates in β ladder)trans-112.2141.1173-66.2-176.2178.5-156.1-0.6109.5V138 F139 K140 Y144V138-R142 CarbonylContact C-O 3.41Å; V138-R142 WeakPolarHBondContact CA-O 3.4Å; F139-R142 PolarHBondContact N-O 3.24Å; F139-R142 PolarHBondContact O-N 3.13Å; F139-R142 VanDerWaalsContact O-O 3.13Å; K140-R142 PolarHBondContact O-N 3.08Å; K140-R142 VanDerWaalsContact O-N 3.09Å; R142-Y144 HydrophobicContact CB-CD2 4.39Å; R142-Y144 HydrophobicContact CB-CE2 3.55Å; R142-Y144 WeakPolarHBondContact CD-OH 3.24Å; R142-Y144 WeakPolarHBondContact O-CD2 3.5Å
143R79Confident73.5Confident203 Ų20392.1 Ų92.177%0.76645%0.446SS*.EExtended strand (participates in β ladder)trans-92.3128.9176.7-170.8-177.7-70.3171.2-0.1108.6T136T136-R143 HydrophobicContact CG2-CG 3.19Å
144Y80.4Confident72.9Confident106 Ų10694.1 Ų94.142%0.41645%0.453SS..EExtended strand (participates in β ladder)trans-125.1144.5175.7-59.5-90.3000108.2T136 V137 F139 R142T136-Y144 CarbonylContact C-O 3.57Å; T136-Y144 VanDerWaalsContact CA-O 3.22Å; T136-Y144 WeakPolarHBondContact CA-O 3.3Å; V137-Y144 PolarHBondContact N-O 3.06Å; V137-Y144 PolarHBondContact O-N 3.41Å; F139-Y144 HydrophobicContact CB-CD2 4.05Å; F139-Y144 HydrophobicContact CB-CE2 3.9Å; F139-Y144 HydrophobicContact CD1-CE2 4.3Å; R142-Y144 HydrophobicContact CB-CD2 4.39Å; R142-Y144 HydrophobicContact CB-CE2 3.55Å; R142-Y144 WeakPolarHBondContact CD-OH 3.24Å; R142-Y144 WeakPolarHBondContact O-CD2 3.5Å
145C75.3Confident72.8Confident53 Ų5394 Ų9436%0.35846%0.457SS..EExtended strand (participates in β ladder)trans-112.4141168560000109.9W132 Q135 T147W132-C145 HydrophobicContact CB-CB 4.15Å; W132-C145 WeakPolarHBondContact O-CB 3.44Å; Q135-C145 CarbonylContact O-C 3.47Å; Q135-C145 WeakPolarHBondContact O-CA 3.31Å; C145-T147 PolarHBondContact O-N 2.94Å
146L73.3Confident73Confident68 Ų6893.1 Ų93.136%0.35645%0.454SS..  trans-73.6113.7166.8-73135.7000108.3Q135 R148Q135-L146 HydrophobicContact CB-CB 3.8Å; Q135-L146 HydrophobicContact CB-CD1 4.31Å; Q135-L146 PolarHBondContact O-N 2.59Å; L146-R148 PolarHBondContact O-N 3.27Å
147T82.6Confident72.9Confident45 Ų4593.1 Ų93.128%0.27646%0.455SS..SBendtrans-87.67176.162.60000112.4I127 W132 C145I127-T147 PolarHBondContact N-O 3.05Å; W132-T147 HydrophobicContact CD2-CG2 3.85Å; W132-T147 HydrophobicContact CE3-CG2 4.04Å; W132-T147 HydrophobicContact CH2-CG2 3.89Å; W132-T147 HydrophobicContact CZ2-CG2 3.68Å; W132-T147 HydrophobicContact CZ3-CG2 4.06Å; C145-T147 PolarHBondContact O-N 2.94Å
148R81.4Confident73.1Confident71 Ų7193.8 Ų93.827%0.26846%0.455SS..BIsolated β-bridgetrans-140.9154.2-175.1-60.7-65.2-174.1-80.4-5.6109.3L123 I125 Q135 L146 G150L123-R148 HydrophobicContact CD2-CB 4.38Å; L123-R148 WeakPolarHBondContact O-CB 3.24Å; L123-R148 WeakPolarHBondContact O-CD 3.39Å; L123-R148 WeakPolarHBondContact O-CG 3.39Å; I125-R148 CarbonylContact O-C 3.45Å; I125-R148 WeakPolarHBondContact O-CA 3.32Å; I125-R148 WeakPolarHBondContact O-CD 3.47Å; Q135-R148 PolarHBondContact OE1-O 2.8Å; L146-R148 PolarHBondContact O-N 3.27Å; R148-G150 PolarHBondContact O-N 3.41Å
149L72Confident72.7Confident1 Ų190.5 Ų90.51%0.00543%0.433CS..  trans-59.9104-174.3-175.971.9000109.3H122 I125 I127 L153 A156 I159H122-L149 CarbonylContact C-O 3.55Å; H122-L149 VanDerWaalsContact O-CB 3.29Å; H122-L149 WeakPolarHBondContact O-CB 3.28Å; H122-L149 PolarHBondContact O-N 3.38Å; I125-L149 HydrophobicContact CB-CB 3.96Å; I125-L149 HydrophobicContact CB-CD2 4.35Å; I125-L149 HydrophobicContact CD1-CD2 3.9Å; I125-L149 HydrophobicContact CG2-CB 4.06Å; I125-L149 HydrophobicContact CG2-CD2 4.37Å; I125-L149 PolarHBondContact O-N 3.31Å; I127-L149 HydrophobicContact CD1-CB 3.91Å; I127-L149 HydrophobicContact CD1-CD1 3.65Å; I127-L149 HydrophobicContact CD1-CG 4.42Å; I127-L149 HydrophobicContact CG1-CB 4.42Å; L149-L153 HydrophobicContact CD1-CD1 3.61Å; L149-L153 HydrophobicContact CG-CD1 4.46Å; L149-A156 HydrophobicContact CD1-CB 4.03Å; L149-A156 HydrophobicContact CD2-CB 3.85Å; L149-A156 HydrophobicContact CG-CB 3.84Å; L149-I159 HydrophobicContact CD1-CD1 3.82Å; L149-I159 HydrophobicContact CD2-CB 4.23Å; L149-I159 HydrophobicContact CD2-CG2 4.06Å
150G66.4Low72.9Confident2 Ų285 Ų852%0.02141%0.409CS..  trans-72.5149.7-175.700000112.2R148R148-G150 PolarHBondContact O-N 3.41Å
151F63.8Low72.6Confident151 Ų15180.6 Ų80.666%0.66239%0.391SS*.THydrogen-bonded Turntrans-63.3141.6167.3-59.7-79.1000110H122 L123H122-F151 HydrophobicContact CB-CE1 4.35Å; L123-F151 HydrophobicContact CD1-CE2 4Å; L123-F151 HydrophobicContact CD2-CE2 4.17Å; L123-F151 HydrophobicContact CG-CE2 3.97Å; L123-F151 HydrophobicContact CG-CZ 4.41Å
152G61.2Low72.2Confident86 Ų8671.6 Ų71.689%0.88737%0.369SS*.THydrogen-bonded Turntrans95.7-5.2179.600000115.3N154G152-N154 PolarHBondContact O-N 3.19Å
153L64.6Low72.1Confident57 Ų5764.4 Ų64.430%0.29834%0.344SS..  trans-72.5120.9164.9-67.5171.2000109.1L149 V155 A156L149-L153 HydrophobicContact CD1-CD1 3.61Å; L149-L153 HydrophobicContact CG-CD1 4.46Å; L153-V155 HydrophobicContact CB-CG2 4.37Å; L153-V155 PolarHBondContact O-N 2.93Å; L153-A156 HydrophobicContact CB-CB 3.94Å; L153-A156 VanDerWaalsContact O-CB 3.24Å; L153-A156 WeakPolarHBondContact O-CB 3.4Å; L153-A156 PolarHBondContact O-N 3.46Å
154N61Low72.1Confident111 Ų11154.8 Ų54.859%0.59431%0.308SS*.THydrogen-bonded Turntrans-58.2-32.2178.562.2-21.4000112.8G152 A156G152-N154 PolarHBondContact O-N 3.19Å; N154-A156 VanDerWaalsContact C-N 3.34Å
155V63.3Low72.2Confident44 Ų4456.8 Ų56.827%0.26732%0.319SS..THydrogen-bonded Turntrans-80.6-10.6177.3-660000113.7L153 L158 I159L153-V155 HydrophobicContact CB-CG2 4.37Å; L153-V155 PolarHBondContact O-N 2.93Å; V155-L158 WeakPolarHBondContact O-CB 3.29Å; V155-L158 PolarHBondContact O-N 3.05Å; V155-L158 VanDerWaalsContact O-N 3.11Å; V155-I159 HydrophobicContact CB-CD1 4.13Å; V155-I159 HydrophobicContact CB-CG1 4.49Å; V155-I159 HydrophobicContact CG2-CD1 3.74Å; V155-I159 WeakPolarHBondContact O-CG1 3.39Å; V155-I159 PolarHBondContact O-N 2.98Å
156A68.9Low72.6Confident4 Ų459.7 Ų59.73%0.03332%0.323CS..Hα-helixtrans-58.6-44.9-173.700000114L149 L153 N154 L158 I159 M160L149-A156 HydrophobicContact CD1-CB 4.03Å; L149-A156 HydrophobicContact CD2-CB 3.85Å; L149-A156 HydrophobicContact CG-CB 3.84Å; L153-A156 HydrophobicContact CB-CB 3.94Å; L153-A156 VanDerWaalsContact O-CB 3.24Å; L153-A156 WeakPolarHBondContact O-CB 3.4Å; L153-A156 PolarHBondContact O-N 3.46Å; N154-A156 VanDerWaalsContact C-N 3.34Å; A156-L158 VanDerWaalsContact C-N 3.3Å; A156-L158 PolarHBondContact O-N 3.43Å; A156-I159 PolarHBondContact O-N 3.02Å; A156-M160 WeakPolarHBondContact O-CB 3.35Å; A156-M160 PolarHBondContact O-N 3.11Å
157P72Confident72.9Confident56 Ų5656.5 Ų56.536%0.36431%0.306SS..Hα-helixtrans-63.3-34.7175.8-23.435.1000113.2M160 K161P157-M160 PolarHBondContact O-N 2.86Å; P157-K161 VanDerWaalsContact O-CB 3.28Å; P157-K161 WeakPolarHBondContact O-CB 3.48Å; P157-K161 PolarHBondContact O-N 2.86Å
158L70.6Confident73Confident92 Ų9254.8 Ų54.848%0.48230%0.295SS..Hα-helixtrans-68.9-44.2177.6-65.4176.3000111.4D95 V155 A156 M160 K161 A162D95-L158 VanDerWaalsContact OD2-CD2 3.31Å; D95-L158 WeakPolarHBondContact OD2-CD2 3.28Å; V155-L158 WeakPolarHBondContact O-CB 3.29Å; V155-L158 PolarHBondContact O-N 3.05Å; V155-L158 VanDerWaalsContact O-N 3.11Å; A156-L158 VanDerWaalsContact C-N 3.3Å; A156-L158 PolarHBondContact O-N 3.43Å; L158-M160 VanDerWaalsContact C-N 3.34Å; L158-K161 PolarHBondContact O-N 2.83Å; L158-A162 WeakPolarHBondContact O-CB 3Å; L158-A162 PolarHBondContact O-N 3.1Å
159I68.6Low73.2Confident38 Ų3853.4 Ų53.420%0.19530%0.296CS..Hα-helixtrans-60.7-46.9174.5-66.6166.9000109.6I125 L149 V155 A156 K161 A162 V163I125-I159 HydrophobicContact CD1-CG2 4.19Å; I125-I159 HydrophobicContact CG2-CG2 4.39Å; L149-I159 HydrophobicContact CD1-CD1 3.82Å; L149-I159 HydrophobicContact CD2-CB 4.23Å; L149-I159 HydrophobicContact CD2-CG2 4.06Å; V155-I159 HydrophobicContact CB-CD1 4.13Å; V155-I159 HydrophobicContact CB-CG1 4.49Å; V155-I159 HydrophobicContact CG2-CD1 3.74Å; V155-I159 WeakPolarHBondContact O-CG1 3.39Å; V155-I159 PolarHBondContact O-N 2.98Å; A156-I159 PolarHBondContact O-N 3.02Å; I159-K161 PolarHBondContact O-N 3.01Å; I159-A162 PolarHBondContact O-N 3.26Å; I159-V163 HydrophobicContact CG2-CG2 4.26Å; I159-V163 WeakPolarHBondContact O-CG2 3.34Å; I159-V163 PolarHBondContact O-N 2.7Å
160M78.5Confident73.7Confident4 Ų458.4 Ų58.42%0.0232%0.32CS..Hα-helixtrans-56.3-51.5177.1-175.755.26400111.5A121 H122 I125 A156 P157 L158 A162 V163 V164 I182A121-M160 HydrophobicContact CB-CE 3.39Å; A121-M160 HydrophobicContact CB-SD 3.84Å; A121-M160 WeakPolarHBondContact O-CE 3.46Å; H122-M160 HydrophobicContact CB-CE 4.35Å; H122-M160 VanDerWaalsContact N-CE 3.28Å; I125-M160 HydrophobicContact CD1-CE 3.46Å; I125-M160 VanDerWaalsContact CD1-CE 3.46Å; I125-M160 HydrophobicContact CD1-SD 4.05Å; I125-M160 HydrophobicContact CG1-CE 4.26Å; A156-M160 WeakPolarHBondContact O-CB 3.35Å; A156-M160 PolarHBondContact O-N 3.11Å; P157-M160 PolarHBondContact O-N 2.86Å; L158-M160 VanDerWaalsContact C-N 3.34Å; M160-A162 VanDerWaalsContact C-N 3.3Å; M160-A162 PolarHBondContact O-N 3.01Å; M160-V163 PolarHBondContact O-N 3.45Å; M160-V164 HydrophobicContact CG-CG2 4.35Å; M160-V164 WeakPolarHBondContact O-CB 3.47Å; M160-V164 WeakPolarHBondContact O-CG2 3.29Å; M160-V164 PolarHBondContact O-N 2.74Å; M160-V164 HydrophobicContact SD-CG2 3.75Å; M160-I182 HydrophobicContact CB-CG2 4.22Å; M160-I182 HydrophobicContact CG-CG2 3.77Å; M160-I182 WeakPolarHBondContact CG-O 3.45Å
161K77.5Confident74.6Confident77 Ų7759.8 Ų59.834%0.33533%0.327SS..Hα-helixtrans-57.7-41.6177.9-177.4-179.5177.8-175.30112D95 P157 L158 I159 K165D95-K161 IonicContact OD1-NZ 3.72Å; D95-K161 PolarHBondContact OD1-NZ 3.46Å; D95-K161 IonicContact OD2-NZ 3.6Å; P157-K161 VanDerWaalsContact O-CB 3.28Å; P157-K161 WeakPolarHBondContact O-CB 3.48Å; P157-K161 PolarHBondContact O-N 2.86Å; L158-K161 PolarHBondContact O-N 2.83Å; I159-K161 PolarHBondContact O-N 3.01Å; K161-K165 WeakPolarHBondContact O-CB 3.44Å; K161-K165 PolarHBondContact O-N 2.81Å
162A75.5Confident75.7Confident59 Ų5958.4 Ų58.449%0.48833%0.326SS..Hα-helixtrans-67.8-46.2178.300000112.3L158 I159 M160 K165 W166L158-A162 WeakPolarHBondContact O-CB 3Å; L158-A162 PolarHBondContact O-N 3.1Å; I159-A162 PolarHBondContact O-N 3.26Å; M160-A162 VanDerWaalsContact C-N 3.3Å; M160-A162 PolarHBondContact O-N 3.01Å; A162-K165 PolarHBondContact O-N 3.28Å; A162-W166 WeakPolarHBondContact O-CB 3.45Å; A162-W166 PolarHBondContact O-N 3.42Å
163V77.3Confident77Confident24 Ų2456.2 Ų56.215%0.14530%0.295CS..Hα-helixtrans-62.5-52.2178.6170.80000110.5I125 I159 M160 K165 W166 V167 A208I125-V163 HydrophobicContact CD1-CB 4.33Å; I125-V163 HydrophobicContact CD1-CG1 4.48Å; I125-V163 HydrophobicContact CD1-CG2 4.14Å; I159-V163 HydrophobicContact CG2-CG2 4.26Å; I159-V163 WeakPolarHBondContact O-CG2 3.34Å; I159-V163 PolarHBondContact O-N 2.7Å; M160-V163 PolarHBondContact O-N 3.45Å; V163-K165 VanDerWaalsContact C-N 3.34Å; V163-K165 PolarHBondContact O-N 2.72Å; V163-W166 PolarHBondContact O-N 3.37Å; V163-V167 HydrophobicContact CG1-CG2 4.46Å; V163-V167 WeakPolarHBondContact O-CG2 3.32Å; V163-V167 PolarHBondContact O-N 2.9Å; V163-A208 HydrophobicContact CG1-CB 4.27Å; V163-A208 HydrophobicContact CG2-CB 4.39Å
164V79.3Confident78Confident1 Ų153.5 Ų53.51%0.00628%0.281CS..Hα-helixtrans-61.1-44.2-179.5176.10000110.7L118 M160 W166 V167 L168 A180 I185 M204L118-V164 HydrophobicContact CD1-CG2 3.85Å; M160-V164 HydrophobicContact CG-CG2 4.35Å; M160-V164 WeakPolarHBondContact O-CB 3.47Å; M160-V164 WeakPolarHBondContact O-CG2 3.29Å; M160-V164 PolarHBondContact O-N 2.74Å; M160-V164 HydrophobicContact SD-CG2 3.75Å; V164-W166 VanDerWaalsContact C-N 3.35Å; V164-W166 PolarHBondContact O-N 2.67Å; V164-V167 PolarHBondContact O-N 3.31Å; V164-L168 HydrophobicContact CG1-CD1 3.75Å; V164-L168 HydrophobicContact CG1-CG 4.23Å; V164-L168 VanDerWaalsContact O-CG 3.27Å; V164-L168 WeakPolarHBondContact O-CG 2.97Å; V164-L168 PolarHBondContact O-N 3.38Å; V164-A180 HydrophobicContact CB-CB 4.5Å; V164-A180 HydrophobicContact CG1-CB 3.4Å; V164-A180 VanDerWaalsContact CG1-CB 3.4Å; V164-I185 HydrophobicContact CG1-CD1 3.98Å; V164-I185 HydrophobicContact CG1-CG1 4.2Å; V164-M204 HydrophobicContact CG1-CE 4.46Å; V164-M204 HydrophobicContact CG2-CE 4.02Å
165K83.4Confident79.3Confident149 Ų14952.5 Ų52.565%0.64827%0.272SS*.Hα-helixtrans-57.7-46.5175.3-176.9-177.8178.5-173.50112K161 A162 V163 L168 S169K161-K165 WeakPolarHBondContact O-CB 3.44Å; K161-K165 PolarHBondContact O-N 2.81Å; A162-K165 PolarHBondContact O-N 3.28Å; V163-K165 VanDerWaalsContact C-N 3.34Å; V163-K165 PolarHBondContact O-N 2.72Å; K165-L168 PolarHBondContact O-N 3.19Å; K165-S169 WeakPolarHBondContact O-CB 3.08Å; K165-S169 PolarHBondContact O-N 2.97Å; K165-S169 PolarHBondContact O-OG 3.28Å
166W84.1Confident80.5Confident114 Ų11458.6 Ų58.643%0.43230%0.295SS..Hα-helixtrans-64.8-40.1-179.717787.2000112.6A162 V163 V164 S169 Q170 H207A162-W166 WeakPolarHBondContact O-CB 3.45Å; A162-W166 PolarHBondContact O-N 3.42Å; V163-W166 PolarHBondContact O-N 3.37Å; V164-W166 VanDerWaalsContact C-N 3.35Å; V164-W166 PolarHBondContact O-N 2.67Å; W166-S169 PolarHBondContact O-N 3.01Å; W166-S169 PolarHBondContact O-OG 3.17Å; W166-Q170 HydrophobicContact CH2-CG 4.37Å; W166-Q170 HydrophobicContact CZ2-CG 4.48Å; W166-Q170 HydrophobicContact CZ3-CG 4.42Å; W166-Q170 WeakPolarHBondContact O-CG 3.46Å; W166-Q170 PolarHBondContact O-N 3Å; W166-Q170 PolarHBondContact O-NE2 3.4Å; W166-H207 HydrophobicContact CH2-CB 4.03Å; W166-H207 HydrophobicContact CZ3-CB 3.76Å
167V79.7Confident81.4Confident1 Ų158.6 Ų58.61%0.00630%0.295CS..Hα-helixtrans-67.4-45.3178.2-179.60000111V163 V164 S169 Q170 T200 V203 M204V163-V167 HydrophobicContact CG1-CG2 4.46Å; V163-V167 WeakPolarHBondContact O-CG2 3.32Å; V163-V167 PolarHBondContact O-N 2.9Å; V164-V167 PolarHBondContact O-N 3.31Å; V167-S169 PolarHBondContact O-N 3.45Å; V167-Q170 WeakPolarHBondContact O-CB 3.45Å; V167-Q170 WeakPolarHBondContact O-CG 3.38Å; V167-Q170 PolarHBondContact O-N 3.17Å; V167-Q170 VanDerWaalsContact O-N 3.1Å; V167-T200 HydrophobicContact CG1-CG2 4.17Å; V167-V203 HydrophobicContact CG1-CG1 4.45Å; V167-M204 HydrophobicContact CB-CG 3.88Å; V167-M204 HydrophobicContact CG1-CB 4.34Å; V167-M204 HydrophobicContact CG1-CG 3.24Å; V167-M204 HydrophobicContact CG1-SD 4.33Å; V167-M204 HydrophobicContact CG2-CG 4.05Å
168L83.7Confident82.1Confident9 Ų956.9 Ų56.95%0.04728%0.284CS..Hα-helixtrans-63.6-32.3178.4-64.1175.6000111.9V164 K165 Q170 V174 E175 T178 A180 I185 W197V164-L168 HydrophobicContact CG1-CD1 3.75Å; V164-L168 HydrophobicContact CG1-CG 4.23Å; V164-L168 VanDerWaalsContact O-CG 3.27Å; V164-L168 WeakPolarHBondContact O-CG 2.97Å; V164-L168 PolarHBondContact O-N 3.38Å; K165-L168 PolarHBondContact O-N 3.19Å; L168-Q170 PolarHBondContact O-N 3.47Å; L168-V174 HydrophobicContact CD2-CG1 3.67Å; L168-E175 PolarHBondContact O-N 3.27Å; L168-T178 HydrophobicContact CD2-CG2 4.38Å; L168-A180 HydrophobicContact CD1-CB 3.85Å; L168-I185 HydrophobicContact CD1-CG2 4.31Å; L168-I185 HydrophobicContact CD2-CD1 4.39Å; L168-W197 HydrophobicContact CD2-CH2 4.11Å; L168-W197 HydrophobicContact CD2-CZ3 3.82Å
169S85.8Confident82.7Confident41 Ų4153.8 Ų53.829%0.28727%0.27SS..THydrogen-bonded Turntrans-73.7-7.417672.60000114.8K165 W166 V167 D171K165-S169 WeakPolarHBondContact O-CB 3.08Å; K165-S169 PolarHBondContact O-N 2.97Å; K165-S169 PolarHBondContact O-OG 3.28Å; W166-S169 PolarHBondContact O-N 3.01Å; W166-S169 PolarHBondContact O-OG 3.17Å; V167-S169 PolarHBondContact O-N 3.45Å; S169-D171 VanDerWaalsContact C-N 3.27Å; S169-D171 PolarHBondContact O-N 3.3Å
170Q83.4Confident83.4Confident106 Ų10652.7 Ų52.750%0.49527%0.267SS..THydrogen-bonded Turntrans-70.2-24.1177.3-61.9-51.4-65.200112.8W166 V167 L168W166-Q170 HydrophobicContact CH2-CG 4.37Å; W166-Q170 HydrophobicContact CZ2-CG 4.48Å; W166-Q170 HydrophobicContact CZ3-CG 4.42Å; W166-Q170 WeakPolarHBondContact O-CG 3.46Å; W166-Q170 PolarHBondContact O-N 3Å; W166-Q170 PolarHBondContact O-NE2 3.4Å; V167-Q170 WeakPolarHBondContact O-CB 3.45Å; V167-Q170 WeakPolarHBondContact O-CG 3.38Å; V167-Q170 PolarHBondContact O-N 3.17Å; V167-Q170 VanDerWaalsContact O-N 3.1Å; L168-Q170 PolarHBondContact O-N 3.47Å
171D85.3Confident83.2Confident32 Ų3253.1 Ų53.117%0.17127%0.27CS..SBendtrans-123.5112.7172.1-174.8-29.2000109.1S169 T173 V174 E175 R196S169-D171 VanDerWaalsContact C-N 3.27Å; S169-D171 PolarHBondContact O-N 3.3Å; D171-T173 PolarHBondContact O-N 2.82Å; D171-T173 WeakPolarHBondContact OD1-CA 3.17Å; D171-T173 WeakPolarHBondContact OD1-CB 3.16Å; D171-T173 PolarHBondContact OD1-N 2.96Å; D171-T173 PolarHBondContact OD1-OG1 2.88Å; D171-V174 HydrophobicContact CB-CB 3.98Å; D171-V174 HydrophobicContact CB-CG2 3.78Å; D171-V174 CarbonylContact O-C 3.59Å; D171-V174 WeakPolarHBondContact O-CA 3.28Å; D171-V174 WeakPolarHBondContact O-CB 3.32Å; D171-V174 PolarHBondContact O-N 3.07Å; D171-E175 PolarHBondContact O-N 3.4Å; D171-R196 IonicContact OD1-CZ 2.79Å; D171-R196 IonicContact OD1-NE 3.26Å; D171-R196 IonicContact OD1-NH2 2.69Å; D171-R196 PolarHBondContact OD1-NH2 2.79Å; D171-R196 VanDerWaalsContact OD1-NH2 3.08Å; D171-R196 IonicContact OD2-CZ 3.65Å; D171-R196 VanDerWaalsContact OD2-CZ 3.22Å; D171-R196 IonicContact OD2-NE 3.14Å; D171-R196 PolarHBondContact OD2-NE 2.78Å; D171-R196 IonicContact OD2-NH2 3.31Å; D171-R196 PolarHBondContact OD2-NH2 3.37Å
172L87Confident83Confident122 Ų12252.5 Ų52.564%0.63927%0.27SS*.Hα-helixtrans-54.6-27.6180-70169000113.7K176L172-K176 WeakPolarHBondContact O-CB 3.18Å; L172-K176 VanDerWaalsContact O-CG 3.22Å; L172-K176 WeakPolarHBondContact O-CG 3.46Å; L172-K176 PolarHBondContact O-N 2.92Å
173T86.8Confident82.8Confident40 Ų4052 Ų5225%0.24526%0.259CS..Hα-helixtrans-72.7-42.2175.9-40.40000110.2D171 K176 G177 V191 R196D171-T173 PolarHBondContact O-N 2.82Å; D171-T173 WeakPolarHBondContact OD1-CA 3.17Å; D171-T173 WeakPolarHBondContact OD1-CB 3.16Å; D171-T173 PolarHBondContact OD1-N 2.96Å; D171-T173 PolarHBondContact OD1-OG1 2.88Å; T173-K176 PolarHBondContact O-N 3.11Å; T173-G177 PolarHBondContact O-N 3.26Å; T173-V191 HydrophobicContact CG2-CG1 4.36Å; T173-V191 WeakPolarHBondContact CG2-O 3.08Å; T173-R196 VanDerWaalsContact OG1-CZ 3.26Å; T173-R196 PolarHBondContact OG1-NH1 2.8Å; T173-R196 PolarHBondContact OG1-NH2 3.01Å
174V87.2Confident82.7Confident0 Ų052.8 Ų52.80%026%0.262CS..Hα-helixtrans-68.6-45.5177178.40000110.4L168 D171 K176 G177 T178 V192 W197 T200L168-V174 HydrophobicContact CD2-CG1 3.67Å; D171-V174 HydrophobicContact CB-CB 3.98Å; D171-V174 HydrophobicContact CB-CG2 3.78Å; D171-V174 CarbonylContact O-C 3.59Å; D171-V174 WeakPolarHBondContact O-CA 3.28Å; D171-V174 WeakPolarHBondContact O-CB 3.32Å; D171-V174 PolarHBondContact O-N 3.07Å; V174-K176 PolarHBondContact O-N 3.46Å; V174-G177 CarbonylContact O-C 3.6Å; V174-G177 PolarHBondContact O-N 3.4Å; V174-G177 VanDerWaalsContact O-N 3.16Å; V174-T178 HydrophobicContact CG1-CG2 3.75Å; V174-T178 VanDerWaalsContact O-CB 3.32Å; V174-T178 WeakPolarHBondContact O-CB 3.43Å; V174-T178 WeakPolarHBondContact O-CG2 3.49Å; V174-T178 PolarHBondContact O-N 3.02Å; V174-T178 PolarHBondContact O-OG1 3.17Å; V174-V192 HydrophobicContact CG2-CG1 4.17Å; V174-W197 HydrophobicContact CG1-CE3 4.22Å; V174-W197 HydrophobicContact CG1-CZ3 3.94Å; V174-T200 HydrophobicContact CG1-CG2 4.19Å
175E87.9Confident82.8Confident89 Ų8952.8 Ų52.842%0.41626%0.262SS..Hα-helixtrans-55.9-39.6176.2-167.3179.9-166.400112L168 D171L168-E175 PolarHBondContact O-N 3.27Å; D171-E175 PolarHBondContact O-N 3.4Å
176K88.1Confident82.7Confident173 Ų17346.1 Ų46.175%0.75223%0.234SC*.Hα-helixtrans-72.8-37.9178.1-77.1176.6-178-178.20113.4L172 T173 V174 V191L172-K176 WeakPolarHBondContact O-CB 3.18Å; L172-K176 VanDerWaalsContact O-CG 3.22Å; L172-K176 WeakPolarHBondContact O-CG 3.46Å; L172-K176 PolarHBondContact O-N 2.92Å; T173-K176 PolarHBondContact O-N 3.11Å; V174-K176 PolarHBondContact O-N 3.46Å; K176-V191 HydrophobicContact CB-CG1 4.37Å
177G86.9Confident82.7Confident3 Ų340.8 Ų40.83%0.03121%0.214CC..Hα-helixtrans-98.512.8-175.300000114.2T173 V174 D188T173-G177 PolarHBondContact O-N 3.26Å; V174-G177 CarbonylContact O-C 3.6Å; V174-G177 PolarHBondContact O-N 3.4Å; V174-G177 VanDerWaalsContact O-N 3.16Å; G177-D188 PolarHBondContact O-N 3Å
178T87Confident82.9Confident20 Ų2043 Ų4312%0.12323%0.225CC..EExtended strand (participates in β ladder)trans-132.9153.1177.361.70000112.5L168 V174 I185 L186 V187 V192 W197L168-T178 HydrophobicContact CD2-CG2 4.38Å; V174-T178 HydrophobicContact CG1-CG2 3.75Å; V174-T178 VanDerWaalsContact O-CB 3.32Å; V174-T178 WeakPolarHBondContact O-CB 3.43Å; V174-T178 WeakPolarHBondContact O-CG2 3.49Å; V174-T178 PolarHBondContact O-N 3.02Å; V174-T178 PolarHBondContact O-OG1 3.17Å; T178-I185 HydrophobicContact CG2-CG2 4.31Å; T178-L186 CarbonylContact C-O 3.54Å; T178-L186 WeakPolarHBondContact CA-O 3.26Å; T178-V187 HydrophobicContact CG2-CB 4.41Å; T178-V187 HydrophobicContact CG2-CG1 4.25Å; T178-V187 HydrophobicContact CG2-CG2 4.02Å; T178-V192 HydrophobicContact CG2-CG2 4.35Å; T178-W197 HydrophobicContact CG2-CE3 4.3Å; T178-W197 HydrophobicContact CG2-CZ3 3.85Å
179S84.3Confident82.9Confident27 Ų2746.4 Ų46.419%0.18924%0.241CC..EExtended strand (participates in β ladder)trans-138.7131.8172.5-170.70000108.1W106 I185 L186W106-S179 WeakPolarHBondContact CZ2-O 3.13Å; W106-S179 PolarHBondContact NE1-OG 2.97Å; S179-I185 CarbonylContact O-C 3.53Å; S179-I185 WeakPolarHBondContact O-CA 3.25Å; S179-L186 PolarHBondContact N-O 3.48Å; S179-L186 PolarHBondContact O-N 3.38Å
180A82.4Confident82.8Confident16 Ų1650.5 Ų50.513%0.13226%0.26CS..EExtended strand (participates in β ladder)trans-114.6140.4-177.100000112.7K102 V164 L168 D184 I185K102-A180 WeakPolarHBondContact CD-O 3.27Å; K102-A180 WeakPolarHBondContact CE-O 3.46Å; K102-A180 PolarHBondContact NZ-O 3.46Å; V164-A180 HydrophobicContact CB-CB 4.5Å; V164-A180 HydrophobicContact CG1-CB 3.4Å; V164-A180 VanDerWaalsContact CG1-CB 3.4Å; L168-A180 HydrophobicContact CD1-CB 3.85Å; A180-D184 CarbonylContact C-O 3.58Å; A180-D184 VanDerWaalsContact CA-O 3.26Å; A180-D184 WeakPolarHBondContact CA-O 3.33Å; A180-I185 HydrophobicContact CB-CG1 4.17Å
181C74.3Confident82.8Confident13 Ų1348.3 Ų48.39%0.08825%0.254CS..EExtended strand (participates in β ladder)trans-125.691.3172.4-178.80000108.6G99 K102 W106 D183 D184G99-C181 VanDerWaalsContact CA-SG 3.51Å; K102-C181 HydrophobicContact CD-CB 4.44Å; W106-C181 HydrophobicContact CH2-CB 3.54Å; W106-C181 HydrophobicContact CZ2-CB 3.76Å; W106-C181 HydrophobicContact CZ3-CB 4.27Å; C181-D183 PolarHBondContact O-N 3.19Å; C181-D184 HydrophobicContact CB-CB 4.42Å; C181-D184 PolarHBondContact N-O 3.42Å; C181-D184 PolarHBondContact O-N 2.98Å
182I73.1Confident82.6Confident64 Ų6446.9 Ų46.933%0.32825%0.246SC..THydrogen-bonded Turntrans59.2-98.6-175.4-53.2171.7000109.9M160M160-I182 HydrophobicContact CB-CG2 4.22Å; M160-I182 HydrophobicContact CG-CG2 3.77Å; M160-I182 WeakPolarHBondContact CG-O 3.45Å
183D72.5Confident82Confident47 Ų4742.7 Ų42.725%0.25123%0.233SC..THydrogen-bonded Turntrans-101.6-12-178.649-20.1000113.9L118 A121 C181L118-D183 HydrophobicContact CB-CB 4.27Å; L118-D183 VanDerWaalsContact CB-O 3.31Å; L118-D183 WeakPolarHBondContact CB-O 3.16Å; L118-D183 VanDerWaalsContact CG-O 3.23Å; L118-D183 WeakPolarHBondContact CG-O 3.4Å; L118-D183 PolarHBondContact N-O 3.12Å; A121-D183 HydrophobicContact CB-CB 3.72Å; C181-D183 PolarHBondContact O-N 3.19Å
184D74.5Confident81Confident42 Ų4245.3 Ų45.323%0.22525%0.25CS..EExtended strand (participates in β ladder)trans-86.7139.3172.1-69.6-50.4000111.2W106 L115 I116 A180 C181W106-D184 HydrophobicContact CH2-CB 3.65Å; W106-D184 WeakPolarHBondContact CH2-O 3.45Å; W106-D184 HydrophobicContact CZ3-CB 3.72Å; L115-D184 HydrophobicContact CD1-CB 4.2Å; I116-D184 CarbonylContact O-C 3.55Å; I116-D184 WeakPolarHBondContact O-CA 3.35Å; A180-D184 CarbonylContact C-O 3.58Å; A180-D184 VanDerWaalsContact CA-O 3.26Å; A180-D184 WeakPolarHBondContact CA-O 3.33Å; C181-D184 HydrophobicContact CB-CB 4.42Å; C181-D184 PolarHBondContact N-O 3.42Å; C181-D184 PolarHBondContact O-N 2.98Å
185I82.1Confident80Confident0 Ų050.8 Ų50.80%028%0.284CS..EExtended strand (participates in β ladder)trans-128.3120.3172.1-52.8175.3000109.1I116 L118 V164 L168 T178 S179 A180 V187 W197 M204I116-I185 PolarHBondContact N-O 3.44Å; I116-I185 PolarHBondContact O-N 3.25Å; L118-I185 HydrophobicContact CD1-CD1 4.14Å; L118-I185 HydrophobicContact CD2-CD1 4.21Å; L118-I185 HydrophobicContact CG-CD1 4.25Å; V164-I185 HydrophobicContact CG1-CD1 3.98Å; V164-I185 HydrophobicContact CG1-CG1 4.2Å; L168-I185 HydrophobicContact CD1-CG2 4.31Å; L168-I185 HydrophobicContact CD2-CD1 4.39Å; T178-I185 HydrophobicContact CG2-CG2 4.31Å; S179-I185 CarbonylContact O-C 3.53Å; S179-I185 WeakPolarHBondContact O-CA 3.25Å; A180-I185 HydrophobicContact CB-CG1 4.17Å; I185-V187 HydrophobicContact CG2-CG2 4.23Å; I185-W197 HydrophobicContact CB-CH2 4.41Å; I185-W197 HydrophobicContact CD1-CH2 3.93Å; I185-W197 HydrophobicContact CG2-CH2 3.86Å; I185-M204 HydrophobicContact CD1-CE 4.03Å; I185-M204 HydrophobicContact CD1-SD 4.15Å
186L80.8Confident79.1Confident10 Ų1052 Ų525%0.05229%0.285CS..EExtended strand (participates in β ladder)trans-87.3130.4167-168.277000109.3W106 Q109 V113 S114 L115 T178 S179W106-L186 HydrophobicContact CB-CD2 3.68Å; W106-L186 HydrophobicContact CD2-CB 3.64Å; W106-L186 HydrophobicContact CD2-CD2 3.94Å; W106-L186 HydrophobicContact CD2-CG 4.26Å; W106-L186 HydrophobicContact CE3-CB 3.9Å; W106-L186 HydrophobicContact CE3-CD1 4.42Å; W106-L186 HydrophobicContact CG-CB 4.12Å; W106-L186 HydrophobicContact CG-CD2 3.49Å; W106-L186 VanDerWaalsContact CG-CD2 3.49Å; W106-L186 HydrophobicContact CG-CG 4.31Å; W106-L186 HydrophobicContact CH2-CB 4.18Å; W106-L186 HydrophobicContact CZ2-CB 3.94Å; W106-L186 HydrophobicContact CZ3-CB 4.18Å; Q109-L186 HydrophobicContact CB-CD2 4.25Å; Q109-L186 VanDerWaalsContact CD-CD2 3.46Å; Q109-L186 HydrophobicContact CG-CD2 4.14Å; V113-L186 HydrophobicContact CB-CD1 4.02Å; V113-L186 HydrophobicContact CB-CG 4.33Å; V113-L186 HydrophobicContact CG2-CD1 4.14Å; S114-L186 CarbonylContact O-C 3.56Å; S114-L186 WeakPolarHBondContact O-CA 3.28Å; L115-L186 HydrophobicContact CB-CD1 4.46Å; L115-L186 HydrophobicContact CD1-CD1 4.41Å; T178-L186 CarbonylContact C-O 3.54Å; T178-L186 WeakPolarHBondContact CA-O 3.26Å; S179-L186 PolarHBondContact N-O 3.48Å; S179-L186 PolarHBondContact O-N 3.38Å
187V83.1Confident77.8Confident2 Ų244.6 Ų44.61%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-116126.3178.8-174.70000108.8V113 S114 I116 T178 I185 V192 W197V113-V187 CarbonylContact C-O 3.51Å; V113-V187 WeakPolarHBondContact CA-O 3.39Å; S114-V187 PolarHBondContact N-O 2.93Å; S114-V187 PolarHBondContact O-N 2.93Å; I116-V187 HydrophobicContact CD1-CG2 3.71Å; I116-V187 HydrophobicContact CG1-CG2 4.39Å; T178-V187 HydrophobicContact CG2-CB 4.41Å; T178-V187 HydrophobicContact CG2-CG1 4.25Å; T178-V187 HydrophobicContact CG2-CG2 4.02Å; I185-V187 HydrophobicContact CG2-CG2 4.23Å; V187-V192 HydrophobicContact CG1-CB 3.9Å; V187-V192 HydrophobicContact CG1-CG1 4.41Å; V187-V192 HydrophobicContact CG1-CG2 4.38Å; V187-W197 HydrophobicContact CG2-CD2 4.14Å; V187-W197 HydrophobicContact CG2-CE3 4.2Å; V187-W197 HydrophobicContact CG2-CH2 4.13Å; V187-W197 HydrophobicContact CG2-CZ2 4.05Å; V187-W197 HydrophobicContact CG2-CZ3 4.21Å
188D85.3Confident76.6Confident46 Ų4649 Ų4925%0.24628%0.275CS..EExtended strand (participates in β ladder)trans-83.6106.6167.3-175.2-25.4000108.3G177 D190 V191 V192G177-D188 PolarHBondContact O-N 3Å; D188-D190 PolarHBondContact O-N 3.39Å; D188-D190 WeakPolarHBondContact OD1-CB 3.43Å; D188-D190 PolarHBondContact OD1-N 3.2Å; D188-V191 HydrophobicContact CB-CB 4.32Å; D188-V191 HydrophobicContact CB-CG2 4.22Å; D188-V191 PolarHBondContact O-N 3.06Å; D188-V191 VanDerWaalsContact O-N 3.12Å; D188-V191 PolarHBondContact OD1-N 2.69Å; D188-V192 PolarHBondContact O-N 3.46Å
189E83.1Confident75.4Confident81 Ų8153.7 Ų53.738%0.37930%0.299SS..THydrogen-bonded Turntrans-72.6-16-175.5-63.1-166.1179.700112.8N112 S114 V191N112-E189 PolarHBondContact O-N 3.3Å; S114-E189 WeakPolarHBondContact CB-OE1 3.39Å; S114-E189 PolarHBondContact OG-OE1 3.49Å; E189-V191 VanDerWaalsContact C-N 3.28Å
190D83.6Confident74.1Confident127 Ų12753 Ų5368%0.67929%0.294SS*.THydrogen-bonded Turntrans-73.7-25.1172.1-63.4-36.9000111.3N112 D188N112-D190 PolarHBondContact ND2-OD1 2.69Å; D188-D190 PolarHBondContact O-N 3.39Å; D188-D190 WeakPolarHBondContact OD1-CB 3.43Å; D188-D190 PolarHBondContact OD1-N 3.2Å
191V83.5Confident73Confident61 Ų6154.9 Ų54.937%0.3730%0.301SS..THydrogen-bonded Turntrans-98.1-43.4179.1-177.60000111.6T173 K176 D188 E189T173-V191 HydrophobicContact CG2-CG1 4.36Å; T173-V191 WeakPolarHBondContact CG2-O 3.08Å; K176-V191 HydrophobicContact CB-CG1 4.37Å; D188-V191 HydrophobicContact CB-CB 4.32Å; D188-V191 HydrophobicContact CB-CG2 4.22Å; D188-V191 PolarHBondContact O-N 3.06Å; D188-V191 VanDerWaalsContact O-N 3.12Å; D188-V191 PolarHBondContact OD1-N 2.69Å; E189-V191 VanDerWaalsContact C-N 3.28Å
192V80.4Confident71.8Confident1 Ų158.4 Ų58.41%0.00633%0.325CS..SBendtrans-111.397.6-178.3-170.30000109.5V174 T178 V187 D188 W197V174-V192 HydrophobicContact CG2-CG1 4.17Å; T178-V192 HydrophobicContact CG2-CG2 4.35Å; V187-V192 HydrophobicContact CG1-CB 3.9Å; V187-V192 HydrophobicContact CG1-CG1 4.41Å; V187-V192 HydrophobicContact CG1-CG2 4.38Å; D188-V192 PolarHBondContact O-N 3.46Å; V192-W197 HydrophobicContact CG1-CB 3.92Å
193G74.9Confident70.7Confident35 Ų3558.1 Ų58.136%0.36133%0.326SS..  trans-59.3151.1173.900000112.5T195 R196 W197G193-T195 VanDerWaalsContact C-N 3.25Å; G193-T195 PolarHBondContact O-N 3.41Å; G193-T195 VanDerWaalsContact O-N 3.1Å; G193-R196 PolarHBondContact O-N 2.93Å; G193-W197 PolarHBondContact O-N 3.26Å
194P67.1Low69.5Low95 Ų9557 Ų5762%0.61732%0.32SS*.Hα-helixtrans-58.9-32.5-169.518.8-31.4000113.9
195T65.6Low67.7Low114 Ų11458.6 Ų58.670%0.69934%0.339SS*.Hα-helixtrans-70.8-34.2-179.4-18.80000112.9G193G193-T195 VanDerWaalsContact C-N 3.25Å; G193-T195 PolarHBondContact O-N 3.41Å; G193-T195 VanDerWaalsContact O-N 3.1Å
196R68.1Low65.3Low116 Ų11663.1 Ų63.144%0.43837%0.369SS..Hα-helixtrans-78.1-36.5-174.9-163.7168.1-174.5166.4-1.8111.2D171 T173 G193 N198 N199 T200D171-R196 IonicContact OD1-CZ 2.79Å; D171-R196 IonicContact OD1-NE 3.26Å; D171-R196 IonicContact OD1-NH2 2.69Å; D171-R196 PolarHBondContact OD1-NH2 2.79Å; D171-R196 VanDerWaalsContact OD1-NH2 3.08Å; D171-R196 IonicContact OD2-CZ 3.65Å; D171-R196 VanDerWaalsContact OD2-CZ 3.22Å; D171-R196 IonicContact OD2-NE 3.14Å; D171-R196 PolarHBondContact OD2-NE 2.78Å; D171-R196 IonicContact OD2-NH2 3.31Å; D171-R196 PolarHBondContact OD2-NH2 3.37Å; T173-R196 VanDerWaalsContact OG1-CZ 3.26Å; T173-R196 PolarHBondContact OG1-NH1 2.8Å; T173-R196 PolarHBondContact OG1-NH2 3.01Å; G193-R196 PolarHBondContact O-N 2.93Å; R196-N198 PolarHBondContact O-N 3.28Å; R196-N199 PolarHBondContact O-N 3.43Å; R196-T200 PolarHBondContact O-N 2.66Å; R196-T200 PolarHBondContact O-OG1 2.83Å
197W62Low63.2Low17 Ų1767.9 Ų67.96%0.06439%0.391CS..Hα-helixtrans-58.6-43.7174.6178-113.4000113.2I116 L168 V174 T178 I185 V187 V192 G193 N199 T200 L201I116-W197 HydrophobicContact CD1-CD2 4.34Å; I116-W197 HydrophobicContact CD1-CZ2 3.4Å; I116-W197 VanDerWaalsContact CD1-CZ2 3.4Å; I116-W197 HydrophobicContact CG2-CZ2 4.34Å; L168-W197 HydrophobicContact CD2-CH2 4.11Å; L168-W197 HydrophobicContact CD2-CZ3 3.82Å; V174-W197 HydrophobicContact CG1-CE3 4.22Å; V174-W197 HydrophobicContact CG1-CZ3 3.94Å; T178-W197 HydrophobicContact CG2-CE3 4.3Å; T178-W197 HydrophobicContact CG2-CZ3 3.85Å; I185-W197 HydrophobicContact CB-CH2 4.41Å; I185-W197 HydrophobicContact CD1-CH2 3.93Å; I185-W197 HydrophobicContact CG2-CH2 3.86Å; V187-W197 HydrophobicContact CG2-CD2 4.14Å; V187-W197 HydrophobicContact CG2-CE3 4.2Å; V187-W197 HydrophobicContact CG2-CH2 4.13Å; V187-W197 HydrophobicContact CG2-CZ2 4.05Å; V187-W197 HydrophobicContact CG2-CZ3 4.21Å; V192-W197 HydrophobicContact CG1-CB 3.92Å; G193-W197 PolarHBondContact O-N 3.26Å; W197-N199 PolarHBondContact O-N 3.06Å; W197-T200 PolarHBondContact O-N 2.98Å; W197-L201 HydrophobicContact CD2-CG 4.39Å; W197-L201 HydrophobicContact CH2-CD2 4.27Å; W197-L201 HydrophobicContact CZ2-CD1 4.22Å; W197-L201 HydrophobicContact CZ2-CD2 3.59Å; W197-L201 HydrophobicContact CZ2-CG 3.8Å; W197-L201 PolarHBondContact O-N 3.48Å; W197-L201 VanDerWaalsContact O-N 3.08Å
198N61Low60.6Low95 Ų9568.7 Ų68.751%0.50840%0.398SS..Hα-helixtrans-59.7-32.3178.4-76.1-21.9000113.3R196 C202R196-N198 PolarHBondContact O-N 3.28Å; N198-C202 PolarHBondContact O-N 3.02Å
199N60.9Low57.7Low118 Ų11874.8 Ų74.863%0.63142%0.417SS*.Hα-helixtrans-72.7-35176.7-71.9-16.2000112R196 W197 C202R196-N199 PolarHBondContact O-N 3.43Å; W197-N199 PolarHBondContact O-N 3.06Å; N199-C202 WeakPolarHBondContact O-CB 3.19Å; N199-C202 PolarHBondContact O-N 2.9Å
200T58.6Low55.1Low14 Ų1477.6 Ų77.69%0.08643%0.434CS..Hα-helixtrans-72.7-36.7178.5-52.40000112.3V167 V174 R196 W197 C202 V203 M204V167-T200 HydrophobicContact CG1-CG2 4.17Å; V174-T200 HydrophobicContact CG1-CG2 4.19Å; R196-T200 PolarHBondContact O-N 2.66Å; R196-T200 PolarHBondContact O-OG1 2.83Å; W197-T200 PolarHBondContact O-N 2.98Å; T200-C202 VanDerWaalsContact C-N 3.25Å; T200-C202 PolarHBondContact O-N 3.12Å; T200-V203 WeakPolarHBondContact O-CB 3.31Å; T200-V203 PolarHBondContact O-N 3.3Å; T200-M204 PolarHBondContact O-N 3.19Å
201L57.9Low52.3Low54 Ų5478.2 Ų78.228%0.28344%0.435SS..Hα-helixtrans-58.6-36.6172.6-78.4176.2000112.6L118 W197 V203 M204L118-L201 HydrophobicContact CD2-CD2 4.48Å; W197-L201 HydrophobicContact CD2-CG 4.39Å; W197-L201 HydrophobicContact CH2-CD2 4.27Å; W197-L201 HydrophobicContact CZ2-CD1 4.22Å; W197-L201 HydrophobicContact CZ2-CD2 3.59Å; W197-L201 HydrophobicContact CZ2-CG 3.8Å; W197-L201 PolarHBondContact O-N 3.48Å; W197-L201 VanDerWaalsContact O-N 3.08Å; L201-V203 VanDerWaalsContact C-N 3.25Å; L201-V203 PolarHBondContact O-N 2.94Å; L201-M204 HydrophobicContact CD2-SD 4.12Å; L201-M204 PolarHBondContact O-N 2.99Å
202C49.7Very low49.4Very low87 Ų8779.9 Ų79.959%0.58845%0.449SS*.Hα-helixtrans-63.2-29.9175.5-74.20000113N198 N199 T200N198-C202 PolarHBondContact O-N 3.02Å; N199-C202 WeakPolarHBondContact O-CB 3.19Å; N199-C202 PolarHBondContact O-N 2.9Å; T200-C202 VanDerWaalsContact C-N 3.25Å; T200-C202 PolarHBondContact O-N 3.12Å
203V49.8Very low46.7Very low58 Ų5883.2 Ų83.235%0.35248%0.477SS..Hα-helixtrans-75.1-33.7178.4-178.80000111.6V167 T200 L201 A205 C206V167-V203 HydrophobicContact CG1-CG1 4.45Å; T200-V203 WeakPolarHBondContact O-CB 3.31Å; T200-V203 PolarHBondContact O-N 3.3Å; L201-V203 VanDerWaalsContact C-N 3.25Å; L201-V203 PolarHBondContact O-N 2.94Å; V203-A205 PolarHBondContact O-N 2.84Å; V203-C206 PolarHBondContact O-N 3.49Å; V203-C206 VanDerWaalsContact O-N 3.1Å
204M48.5Very low44.4Very low24 Ų2482.9 Ų82.912%0.11847%0.469CS..Hα-helixtrans-59.3-32178.2-68.4-175.674.900112.7L118 V164 V167 I185 T200 L201 C206L118-M204 HydrophobicContact CD1-CE 3.44Å; L118-M204 VanDerWaalsContact CD1-CE 3.44Å; L118-M204 HydrophobicContact CD2-CE 3.77Å; L118-M204 HydrophobicContact CD2-SD 4.16Å; L118-M204 HydrophobicContact CG-CE 4.25Å; V164-M204 HydrophobicContact CG1-CE 4.46Å; V164-M204 HydrophobicContact CG2-CE 4.02Å; V167-M204 HydrophobicContact CB-CG 3.88Å; V167-M204 HydrophobicContact CG1-CB 4.34Å; V167-M204 HydrophobicContact CG1-CG 3.24Å; V167-M204 HydrophobicContact CG1-SD 4.33Å; V167-M204 HydrophobicContact CG2-CG 4.05Å; I185-M204 HydrophobicContact CD1-CE 4.03Å; I185-M204 HydrophobicContact CD1-SD 4.15Å; T200-M204 PolarHBondContact O-N 3.19Å; L201-M204 HydrophobicContact CD2-SD 4.12Å; L201-M204 PolarHBondContact O-N 2.99Å; M204-C206 PolarHBondContact O-N 2.91Å
205A36.4Very low42.5Very low76 Ų7681.7 Ų81.763%0.62846%0.457SS*.THydrogen-bonded Turntrans-71.3-13.9179.400000114.2V203V203-A205 PolarHBondContact O-N 2.84Å
206C31.6Very low40.6Very low95 Ų9578 Ų7864%0.64243%0.434SS*.THydrogen-bonded Turntrans-112.4-18.1-167.4-72.80000116.2V203 M204V203-C206 PolarHBondContact O-N 3.49Å; V203-C206 VanDerWaalsContact O-N 3.1Å; M204-C206 PolarHBondContact O-N 2.91Å
207H35.9Very low38.6Very low110 Ų11079.3 Ų79.351%0.50945%0.445SS..  trans-132.871.1-165.8-70.893.5000114.5W166W166-H207 HydrophobicContact CH2-CB 4.03Å; W166-H207 HydrophobicContact CZ3-CB 3.76Å
208A28.5Very low36.9Very low18 Ų1882.8 Ų82.815%0.14947%0.465CS..  trans-12998.7168.600000110.8I125 V163I125-A208 HydrophobicContact CB-CB 4.09Å; I125-A208 HydrophobicContact CG1-CB 3.9Å; I125-A208 HydrophobicContact CG2-CB 3.83Å; V163-A208 HydrophobicContact CG1-CB 4.27Å; V163-A208 HydrophobicContact CG2-CB 4.39Å
209R25.3Very low35.2Very low175 Ų17587.1 Ų87.166%0.6648%0.482SS*.  trans-144.6105.4172.6-119.9-173.9176.9175.29107.3D128D128-R209 IonicContact OD2-CZ 3.71Å; D128-R209 IonicContact OD2-NE 3.61Å; D128-R209 PolarHBondContact OD2-NE 2.82Å; D128-R209 IonicContact OD2-NH2 2.66Å
210L28.3Very low33.5Very low140 Ų14089 Ų8973%0.73349%0.485SS*.  trans-169.1117.6169.1-95.8128.8000109
211M23.8Very low32.2Very low139 Ų13994.6 Ų94.669%0.68550%0.504SS*.  78.1126.283-65.1-74.1-84.900114.8
212S24.1Very low30.7Very low96 Ų9697 Ų9767%0.67153%0.532SS*.  trans-98.6158.1-162.341.70000115.9
213A23.6Very low29.7Very low71 Ų7196.9 Ų96.959%0.58753%0.532SS*.  trans-146.5152.4172.900000111.7
214S26.1Very low28.9Very low28 Ų2897.7 Ų97.720%0.19655%0.553CS.*  trans-135.1-172.3-17768.10000114.8D309 A316S214-D309 VanDerWaalsContact CA-CB 3.41Å; S214-D309 WeakPolarHBondContact CB-OD2 3.42Å; S214-D309 WeakPolarHBondContact O-CB 3.49Å; S214-D309 WeakPolarHBondContact OG-CB 3.4Å; S214-D309 VanDerWaalsContact OG-CG 3.28Å; S214-D309 PolarHBondContact OG-N 2.81Å; S214-D309 PolarHBondContact OG-OD2 3.04Å; S214-A316 VanDerWaalsContact OG-CA 3.3Å; S214-A316 WeakPolarHBondContact OG-CA 3.47Å; S214-A316 WeakPolarHBondContact OG-CB 2.79Å; S214-A316 PolarHBondContact OG-N 3.23Å; S214-A316 PolarHBondContact OG-O 2.8Å
215L26.5Very low28.3Very low70 Ų70105 Ų10537%0.36658%0.584SS.*  -151.4117.6-125.5-107170.5000118.5H242 D309 V315L215-H242 PolarHBondContact O-CE1 3.3Å; L215-H242 PolarHBondContact O-ND1 2.88Å; L215-D309 PolarHBondContact N-OD2 3.35Å; L215-V315 WeakPolarHBondContact O-CB 3.38Å; L215-V315 WeakPolarHBondContact O-CG1 3.4Å
216T26.1Very low29Very low36 Ų36103.3 Ų103.322%0.22157%0.573CS.*  trans-88.3157.2-177.21.40000116.4L313 V315T216-L313 VanDerWaalsContact CB-CB 3.47Å; T216-L313 HydrophobicContact CG2-CB 3.33Å; T216-L313 HydrophobicContact CG2-CD1 3.99Å; T216-L313 HydrophobicContact CG2-CD2 4.11Å; T216-L313 HydrophobicContact CG2-CG 3.99Å; T216-L313 WeakPolarHBondContact OG1-CB 3.41Å; T216-L313 WeakPolarHBondContact OG1-CD1 3.47Å; T216-L313 WeakPolarHBondContact OG1-CG 3.27Å; T216-V315 VanDerWaalsContact CA-CB 3.46Å; T216-V315 HydrophobicContact CG2-CB 3.95Å; T216-V315 HydrophobicContact CG2-CG1 3.61Å; T216-V315 HydrophobicContact CG2-CG2 3.3Å; T216-V315 VanDerWaalsContact OG1-CG2 3.29Å; T216-V315 WeakPolarHBondContact OG1-CG2 3.41Å
217E25.8Very low30.4Very low145 Ų145100.8 Ų100.868%0.67856%0.56SS**  trans87.883.9163.2-69.7169.4163.800113H242E217-H242 PolarHBondContact O-NE2 3.3Å
218L25.9Very low32.2Very low89 Ų8996.8 Ų96.847%0.46654%0.542SS..  trans-116.258.7164.8-129.9-178000109.9H242L218-H242 HydrophobicContact CD1-CB 3.35Å; L218-H242 WeakPolarHBondContact CD1-CD2 3.46Å; L218-H242 HydrophobicContact CG-CB 4.25Å; L218-H242 WeakPolarHBondContact CG-CD2 3.2Å
219E25.8Very low34.6Very low187 Ų18796 Ų9687%0.87454%0.535SS*.  trans-136.865.5167.2-73-164.9161.700110.5
220F26Very low36.6Very low158 Ų15888.3 Ų88.369%0.69351%0.509SS*.  trans-162.8126164.4-136.9-139.6000113.2
221W29.9Very low38.7Very low131 Ų13182.9 Ų82.950%0.49649%0.487SS..  trans93.687.1168.4-59.391.1000120.1S223 F225W221-S223 VanDerWaalsContact CE3-C 3.42Å; W221-S223 VanDerWaalsContact CE3-O 3.23Å; W221-S223 VanDerWaalsContact CE3-OG 3.27Å; W221-S223 WeakPolarHBondContact CZ3-O 3.29Å; W221-F225 HydrophobicContact CE3-CB 4.28Å; W221-F225 HydrophobicContact CE3-CD2 4.42Å; W221-F225 AromaticContact CH2-CD2 3.76Å; W221-F225 HydrophobicContact CH2-CD2 3.76Å; W221-F225 HydrophobicContact CH2-CE2 4.29Å; W221-F225 HydrophobicContact CZ2-CD2 4.32Å; W221-F225 HydrophobicContact CZ3-CB 4.45Å; W221-F225 AromaticContact CZ3-CD2 3.78Å; W221-F225 HydrophobicContact CZ3-CD2 3.78Å
222A26.9Very low41.2Very low104 Ų10476.5 Ų76.586%0.8646%0.456SS*.SBendtrans-103.525.314800000111.7
223S28.8Very low44Very low84 Ų8474 Ų7459%0.58743%0.433SS*.SBendtrans-144.945.1-16355.40000115.8W221W221-S223 VanDerWaalsContact CE3-C 3.42Å; W221-S223 VanDerWaalsContact CE3-O 3.23Å; W221-S223 VanDerWaalsContact CE3-OG 3.27Å; W221-S223 WeakPolarHBondContact CZ3-O 3.29Å
224G32.6Very low46.2Very low76 Ų7672.6 Ų72.678%0.78442%0.419SS*.  trans96.135.7151.200000120.4
225F37.4Very low48.4Very low178 Ų17874.9 Ų74.978%0.78142%0.423SS*.  trans-108.5114.7164.9-111.8-93.5000112.8W221W221-F225 HydrophobicContact CE3-CB 4.28Å; W221-F225 HydrophobicContact CE3-CD2 4.42Å; W221-F225 AromaticContact CH2-CD2 3.76Å; W221-F225 HydrophobicContact CH2-CD2 3.76Å; W221-F225 HydrophobicContact CH2-CE2 4.29Å; W221-F225 HydrophobicContact CZ2-CD2 4.32Å; W221-F225 HydrophobicContact CZ3-CB 4.45Å; W221-F225 AromaticContact CZ3-CD2 3.78Å; W221-F225 HydrophobicContact CZ3-CD2 3.78Å
226G49.6Very low50.9Low39 Ų3971.5 Ų71.540%0.40241%0.406SS..  trans67.780.7158.500000119.1N228G226-N228 PolarHBondContact O-N 2.95Å
227A61.7Low52.9Low43 Ų4371.3 Ų71.336%0.35541%0.411SS..  trans-6864.9158.900000110.2V270 I271A227-V270 HydrophobicContact CB-CG1 4.43Å; A227-V270 CarbonylContact O-C 3.55Å; A227-V270 VanDerWaalsContact O-CA 3.25Å; A227-V270 WeakPolarHBondContact O-CA 3.11Å; A227-I271 WeakPolarHBondContact O-CB 3.32Å; A227-I271 PolarHBondContact O-N 3.32Å
228N74.1Confident54.9Low26 Ų2669.7 Ų69.714%0.13940%0.402CS..BIsolated β-bridgetrans-135.3168.7175.265.417.1000109.9G226 A230 G231 V232 W267 D268 E269G226-N228 PolarHBondContact O-N 2.95Å; N228-A230 VanDerWaalsContact C-N 3.3Å; N228-A230 PolarHBondContact O-N 2.79Å; N228-G231 PolarHBondContact O-N 3.36Å; N228-G231 VanDerWaalsContact O-N 3.1Å; N228-G231 PolarHBondContact OD1-N 3.03Å; N228-V232 PolarHBondContact O-N 3.39Å; N228-W267 WeakPolarHBondContact CB-O 2.97Å; N228-D268 PolarHBondContact ND2-O 3.39Å; N228-E269 WeakPolarHBondContact CA-O 3.38Å; N228-E269 WeakPolarHBondContact CB-O 3.22Å
229T77.7Confident56.9Low1 Ų165.8 Ų65.81%0.00638%0.381CS..Hα-helixtrans-62.2-37.8-173.7-66.80000112.4G231 V232 F233 A260 N261 T264 W267T229-G231 PolarHBondContact O-N 2.9Å; T229-V232 PolarHBondContact O-N 3.23Å; T229-F233 HydrophobicContact CG2-CD2 3.82Å; T229-F233 HydrophobicContact CG2-CE2 3.81Å; T229-F233 VanDerWaalsContact O-CD2 3.31Å; T229-F233 WeakPolarHBondContact O-CD2 3.37Å; T229-F233 PolarHBondContact O-N 2.97Å; T229-A260 HydrophobicContact CG2-CB 4.17Å; T229-A260 PolarHBondContact OG1-O 3.16Å; T229-N261 VanDerWaalsContact CG2-OD1 3.24Å; T229-N261 WeakPolarHBondContact CG2-OD1 2.9Å; T229-T264 PolarHBondContact OG1-OG1 2.95Å; T229-W267 HydrophobicContact CG2-CD2 4.11Å; T229-W267 HydrophobicContact CG2-CE3 3.9Å; T229-W267 HydrophobicContact CG2-CZ3 4.12Å; T229-W267 PolarHBondContact N-O 2.94Å
230A68.5Low59Low14 Ų1458.6 Ų58.612%0.11635%0.35CS..Hα-helixtrans-59.4-44.7173.400000112.6Y90 N228 F233 S234 W267Y90-A230 PolarHBondContact OH-O 2.78Å; N228-A230 VanDerWaalsContact C-N 3.3Å; N228-A230 PolarHBondContact O-N 2.79Å; A230-F233 PolarHBondContact O-N 3.01Å; A230-S234 VanDerWaalsContact O-CB 3.27Å; A230-S234 WeakPolarHBondContact O-CB 2.88Å; A230-S234 PolarHBondContact O-N 2.93Å; A230-W267 HydrophobicContact CB-CB 4.46Å; A230-W267 HydrophobicContact CB-CE3 4.14Å; A230-W267 PolarHBondContact N-O 3.46Å
231G72Confident60.6Low25 Ų2551.7 Ų51.726%0.25832%0.323SS..Hα-helixtrans-59.8-48176.200000112.1N228 T229 S234 Y235N228-G231 PolarHBondContact O-N 3.36Å; N228-G231 VanDerWaalsContact O-N 3.1Å; N228-G231 PolarHBondContact OD1-N 3.03Å; T229-G231 PolarHBondContact O-N 2.9Å; G231-S234 PolarHBondContact O-N 3.11Å; G231-Y235 VanDerWaalsContact O-CB 3.31Å; G231-Y235 WeakPolarHBondContact O-CB 3.11Å; G231-Y235 PolarHBondContact O-N 2.92Å
232V76.4Confident62Low6 Ų646.3 Ų46.34%0.03630%0.304CS..Hα-helixtrans-61.5-47.3177.8176.40000111.4N228 T229 S234 Y235 C236 A256 A260 I271 L276 L280N228-V232 PolarHBondContact O-N 3.39Å; T229-V232 PolarHBondContact O-N 3.23Å; V232-S234 VanDerWaalsContact C-N 3.34Å; V232-S234 PolarHBondContact O-N 2.99Å; V232-Y235 PolarHBondContact O-N 2.74Å; V232-C236 VanDerWaalsContact O-CB 3.25Å; V232-C236 WeakPolarHBondContact O-CB 3.18Å; V232-C236 PolarHBondContact O-N 3.28Å; V232-C236 PolarHBondContact O-SG 3.36Å; V232-C236 VanDerWaalsContact O-SG 3.33Å; V232-A256 HydrophobicContact CG1-CB 4.4Å; V232-A260 HydrophobicContact CB-CB 3.99Å; V232-A260 HydrophobicContact CG1-CB 3.92Å; V232-A260 HydrophobicContact CG2-CB 4.21Å; V232-I271 HydrophobicContact CG2-CD1 3.61Å; V232-L276 HydrophobicContact CG2-CD2 4.43Å; V232-L280 HydrophobicContact CG1-CD1 4.45Å; V232-L280 HydrophobicContact CG1-CD2 4.35Å; V232-L280 HydrophobicContact CG2-CD1 3.89Å
233F82.7Confident63.6Low43 Ų4342.2 Ų42.219%0.18927%0.267CS..Hα-helixtrans-64.2-39.5179.7-91.5-109.6000112.6Y90 T229 A230 G237 K257 N261 W267Y90-F233 WeakPolarHBondContact OH-CB 2.9Å; T229-F233 HydrophobicContact CG2-CD2 3.82Å; T229-F233 HydrophobicContact CG2-CE2 3.81Å; T229-F233 VanDerWaalsContact O-CD2 3.31Å; T229-F233 WeakPolarHBondContact O-CD2 3.37Å; T229-F233 PolarHBondContact O-N 2.97Å; A230-F233 PolarHBondContact O-N 3.01Å; F233-G237 PolarHBondContact O-N 2.69Å; F233-K257 HydrophobicContact CD1-CD 3.76Å; F233-K257 HydrophobicContact CD1-CG 3.99Å; F233-K257 HydrophobicContact CD2-CB 4.19Å; F233-K257 HydrophobicContact CD2-CG 3.91Å; F233-K257 HydrophobicContact CE1-CB 4.08Å; F233-K257 HydrophobicContact CE1-CD 3.79Å; F233-K257 HydrophobicContact CE1-CG 4Å; F233-K257 HydrophobicContact CE2-CB 3.7Å; F233-K257 HydrophobicContact CE2-CG 3.93Å; F233-K257 VanDerWaalsContact CE2-O 3.3Å; F233-K257 WeakPolarHBondContact CE2-O 3.19Å; F233-K257 HydrophobicContact CG-CD 4.17Å; F233-K257 HydrophobicContact CG-CG 3.94Å; F233-K257 HydrophobicContact CZ-CB 3.63Å; F233-K257 HydrophobicContact CZ-CD 4.23Å; F233-K257 HydrophobicContact CZ-CG 3.97Å; F233-N261 VanDerWaalsContact CE2-OD1 3.29Å; F233-N261 WeakPolarHBondContact CE2-OD1 3.22Å; F233-W267 HydrophobicContact CB-CZ3 3.95Å; F233-W267 AromaticContact CD1-CH2 3.87Å; F233-W267 HydrophobicContact CD1-CH2 3.87Å; F233-W267 HydrophobicContact CD1-CZ3 4.07Å; F233-W267 HydrophobicContact CD2-CH2 4.12Å; F233-W267 AromaticContact CD2-CZ3 3.91Å; F233-W267 HydrophobicContact CD2-CZ3 3.91Å; F233-W267 AromaticContact CE1-CH2 3.96Å; F233-W267 HydrophobicContact CE1-CH2 3.96Å; F233-W267 HydrophobicContact CE2-CH2 4.2Å; F233-W267 HydrophobicContact CE2-CZ3 4.4Å; F233-W267 AromaticContact CG-CH2 3.95Å; F233-W267 HydrophobicContact CG-CH2 3.95Å; F233-W267 AromaticContact CG-CZ3 3.72Å; F233-W267 HydrophobicContact CG-CZ3 3.72Å; F233-W267 HydrophobicContact CZ-CH2 4.12Å
234S70.5Confident64.8Low41 Ų4140 Ų4029%0.28725%0.251SS..Hα-helixtrans-61.9-53175.8-174.40000110.8Y90 A230 G231 V232 C236 G237 K238Y90-S234 PolarHBondContact OH-N 3.19Å; A230-S234 VanDerWaalsContact O-CB 3.27Å; A230-S234 WeakPolarHBondContact O-CB 2.88Å; A230-S234 PolarHBondContact O-N 2.93Å; G231-S234 PolarHBondContact O-N 3.11Å; V232-S234 VanDerWaalsContact C-N 3.34Å; V232-S234 PolarHBondContact O-N 2.99Å; S234-C236 PolarHBondContact O-N 3.49Å; S234-G237 PolarHBondContact O-N 2.69Å; S234-K238 WeakPolarHBondContact O-CG 2.78Å; S234-K238 PolarHBondContact O-N 3.48Å
235Y71.8Confident65.7Low76 Ų7636.9 Ų36.930%0.29822%0.217SC..Hα-helixtrans-56.7-52.4178.6173.8-107.9000112.1G231 V232 G237 K238 L239 L280 A284G231-Y235 VanDerWaalsContact O-CB 3.31Å; G231-Y235 WeakPolarHBondContact O-CB 3.11Å; G231-Y235 PolarHBondContact O-N 2.92Å; V232-Y235 PolarHBondContact O-N 2.74Å; Y235-G237 VanDerWaalsContact C-N 3.3Å; Y235-G237 PolarHBondContact O-N 3.23Å; Y235-K238 PolarHBondContact O-N 3.18Å; Y235-L239 HydrophobicContact CD1-CD1 3.9Å; Y235-L239 HydrophobicContact CE1-CD1 3.3Å; Y235-L239 HydrophobicContact CE1-CG 4.26Å; Y235-L239 HydrophobicContact CE2-CD1 4Å; Y235-L239 HydrophobicContact CE2-CD2 4.46Å; Y235-L239 HydrophobicContact CE2-CG 4.13Å; Y235-L239 HydrophobicContact CG-CD1 4.48Å; Y235-L239 WeakPolarHBondContact O-CG 3.45Å; Y235-L239 PolarHBondContact O-N 3.07Å; Y235-L280 HydrophobicContact CD1-CD2 3.78Å; Y235-L280 HydrophobicContact CE1-CD2 3.83Å; Y235-A284 WeakPolarHBondContact OH-CB 3.38Å
236C78.4Confident66.7Low0 Ų028.4 Ų28.40%018%0.179CC..Hα-helixtrans-63.1-35.5177.7-740000112.9V232 S234 V240 T253 K257V232-C236 VanDerWaalsContact O-CB 3.25Å; V232-C236 WeakPolarHBondContact O-CB 3.18Å; V232-C236 PolarHBondContact O-N 3.28Å; V232-C236 PolarHBondContact O-SG 3.36Å; V232-C236 VanDerWaalsContact O-SG 3.33Å; S234-C236 PolarHBondContact O-N 3.49Å; C236-V240 WeakPolarHBondContact O-CG2 3.46Å; C236-V240 PolarHBondContact O-N 2.93Å; C236-T253 HydrophobicContact CB-CG2 3.91Å; C236-K257 HydrophobicContact CB-CD 4.27Å; C236-K257 HydrophobicContact CB-CG 4.08Å
237G69.4Low67.2Low32 Ų3228.2 Ų28.233%0.3318%0.177SC..Hα-helixtrans-65.2-44.7175.800000112.4F233 S234 Y235 G241F233-G237 PolarHBondContact O-N 2.69Å; S234-G237 PolarHBondContact O-N 2.69Å; Y235-G237 VanDerWaalsContact C-N 3.3Å; Y235-G237 PolarHBondContact O-N 3.23Å; G237-G241 PolarHBondContact O-N 3.22Å
238K66.2Low67.6Low110 Ų11030.4 Ų30.448%0.47818%0.177SC..Hα-helixtrans-60.2-53.7173.8-71.1-178.1179.2-170.40110.6S234 Y235 V240 G241 H242S234-K238 WeakPolarHBondContact O-CG 2.78Å; S234-K238 PolarHBondContact O-N 3.48Å; Y235-K238 PolarHBondContact O-N 3.18Å; K238-V240 PolarHBondContact O-N 2.61Å; K238-G241 WeakPolarHBondContact O-CA 3.23Å; K238-G241 PolarHBondContact O-N 2.52Å; K238-H242 PolarHBondContact O-CD2 3.36Å; K238-H242 PolarHBondContact O-N 3.06Å
239L68.4Low67.5Low7 Ų729.1 Ų29.14%0.03717%0.17CC..Hα-helixtrans-51-51.1-179.5-79.8178000113.4Y235 G241 H242 L243 L249 T253 I283Y235-L239 HydrophobicContact CD1-CD1 3.9Å; Y235-L239 HydrophobicContact CE1-CD1 3.3Å; Y235-L239 HydrophobicContact CE1-CG 4.26Å; Y235-L239 HydrophobicContact CE2-CD1 4Å; Y235-L239 HydrophobicContact CE2-CD2 4.46Å; Y235-L239 HydrophobicContact CE2-CG 4.13Å; Y235-L239 HydrophobicContact CG-CD1 4.48Å; Y235-L239 WeakPolarHBondContact O-CG 3.45Å; Y235-L239 PolarHBondContact O-N 3.07Å; L239-G241 VanDerWaalsContact C-N 3.3Å; L239-G241 PolarHBondContact O-N 3.13Å; L239-H242 PolarHBondContact O-N 2.77Å; L239-L243 PolarHBondContact O-N 2.9Å; L239-L249 HydrophobicContact CB-CD2 4.24Å; L239-L249 HydrophobicContact CD1-CD1 4.32Å; L239-T253 HydrophobicContact CB-CG2 4.42Å; L239-T253 HydrophobicContact CD1-CG2 4.25Å; L239-I283 HydrophobicContact CD1-CG2 3.72Å
240V69.2Low67.2Low36 Ų3632.7 Ų32.722%0.21818%0.183CC..Hα-helixtrans-70.7-28.8179.61760000112.1C236 K238 L249 R250 T253C236-V240 WeakPolarHBondContact O-CG2 3.46Å; C236-V240 PolarHBondContact O-N 2.93Å; K238-V240 PolarHBondContact O-N 2.61Å; V240-L249 HydrophobicContact CG2-CG 4.44Å; V240-R250 HydrophobicContact CG1-CG 3.85Å; V240-R250 HydrophobicContact CG2-CG 4.37Å; V240-T253 HydrophobicContact CG2-CG2 3.89Å; V240-T253 WeakPolarHBondContact CG2-OG1 3.47Å
241G60.3Low67.3Low13 Ų1336.9 Ų36.913%0.13421%0.207CC..Hα-helixtrans-68.2-37.8175.300000113.3G237 K238 L239G237-G241 PolarHBondContact O-N 3.22Å; K238-G241 WeakPolarHBondContact O-CA 3.23Å; K238-G241 PolarHBondContact O-N 2.52Å; L239-G241 VanDerWaalsContact C-N 3.3Å; L239-G241 PolarHBondContact O-N 3.13Å
242H59.7Low67.5Low19 Ų1936.6 Ų36.69%0.08820%0.202CC..Hα-helixtrans-87.5-26.8-179.5-63.5-68.1000114L215 E217 L218 K238 L239 P244L215-H242 PolarHBondContact O-CE1 3.3Å; L215-H242 PolarHBondContact O-ND1 2.88Å; E217-H242 PolarHBondContact O-NE2 3.3Å; L218-H242 HydrophobicContact CD1-CB 3.35Å; L218-H242 WeakPolarHBondContact CD1-CD2 3.46Å; L218-H242 HydrophobicContact CG-CB 4.25Å; L218-H242 WeakPolarHBondContact CG-CD2 3.2Å; K238-H242 PolarHBondContact O-CD2 3.36Å; K238-H242 PolarHBondContact O-N 3.06Å; L239-H242 PolarHBondContact O-N 2.77Å; H242-P244 WeakPolarHBondContact O-CD 3.31Å
243L60.8Low67.7Low17 Ų1736.5 Ų36.59%0.08920%0.202CC..  trans-118.562.7-179.8-58.1171.5000109.6L239 V245 C246 L249 V287 P292 A293L239-L243 PolarHBondContact O-N 2.9Å; L243-V245 PolarHBondContact O-N 3.09Å; L243-C246 HydrophobicContact CB-CB 4.1Å; L243-C246 WeakPolarHBondContact O-CB 3.47Å; L243-C246 PolarHBondContact O-N 2.87Å; L243-L249 HydrophobicContact CB-CD2 3.72Å; L243-L249 HydrophobicContact CD1-CD2 3.82Å; L243-L249 HydrophobicContact CG-CD2 4.37Å; L243-V287 HydrophobicContact CD1-CB 4.43Å; L243-V287 HydrophobicContact CD1-CG1 3.46Å; L243-V287 VanDerWaalsContact CD1-CG1 3.46Å; L243-V287 HydrophobicContact CD1-CG2 4.06Å; L243-P292 HydrophobicContact CB-CG 4.12Å; L243-P292 HydrophobicContact CD1-CG 3.98Å; L243-P292 HydrophobicContact CD2-CG 3.92Å; L243-P292 HydrophobicContact CG-CG 4.22Å; L243-A293 HydrophobicContact CD2-CB 4.44Å
244P52.3Low67.4Low37 Ų3736.1 Ų36.124%0.2421%0.207CC..THydrogen-bonded Turntrans-65.3-28.2-171.827.1-35000112.1H242 C246 R250 A316H242-P244 WeakPolarHBondContact O-CD 3.31Å; P244-C246 VanDerWaalsContact C-N 3.28Å; P244-C246 PolarHBondContact O-N 3.36Å; P244-R250 VanDerWaalsContact O-CZ 3.31Å; P244-R250 PolarHBondContact O-NE 2.84Å; P244-R250 PolarHBondContact O-NH2 2.94Å; P244-A316 HydrophobicContact CG-CB 3.73Å
245V51.9Low67.9Low11 Ų1139.1 Ų39.17%0.06722%0.215CC..THydrogen-bonded Turntrans-74.7-19.2-177.6-640000111.8L243 G247 W297 E327L243-V245 PolarHBondContact O-N 3.09Å; V245-G247 PolarHBondContact O-N 3.3Å; V245-W297 HydrophobicContact CG2-CH2 4.21Å; V245-E327 CarbonylContact C-O 3.51Å; V245-E327 WeakPolarHBondContact CA-O 3.26Å; V245-E327 WeakPolarHBondContact CB-O 3Å
246C59.8Low68.5Low0 Ų035.5 Ų35.50%020%0.201CC..  trans-77.193.3-173.5-161.40000114.3L243 P244 W248 L249 R250 P292L243-C246 HydrophobicContact CB-CB 4.1Å; L243-C246 WeakPolarHBondContact O-CB 3.47Å; L243-C246 PolarHBondContact O-N 2.87Å; P244-C246 VanDerWaalsContact C-N 3.28Å; P244-C246 PolarHBondContact O-N 3.36Å; C246-W248 PolarHBondContact O-N 3.09Å; C246-W248 VanDerWaalsContact SG-CE2 3.52Å; C246-W248 PolarHBondContact SG-NE1 2.97Å; C246-L249 HydrophobicContact CB-CB 3.76Å; C246-L249 HydrophobicContact CB-CD2 4.1Å; C246-L249 WeakPolarHBondContact O-CB 3.39Å; C246-L249 PolarHBondContact O-N 2.75Å; C246-L249 VanDerWaalsContact SG-CB 3.55Å; C246-R250 PolarHBondContact O-N 3.32Å; C246-P292 HydrophobicContact CB-CB 3.76Å; C246-P292 HydrophobicContact CB-CG 3.59Å; C246-P292 VanDerWaalsContact SG-CB 3.51Å; C246-P292 VanDerWaalsContact SG-CG 3.52Å
247G58.3Low68.8Low35 Ų3538.1 Ų38.136%0.36121%0.212SC..Hα-helixtrans-59.7-40.5-174.400000114.5V245V245-G247 PolarHBondContact O-N 3.3Å
248W71.2Confident69.5Low89 Ų8942.6 Ų42.634%0.33722%0.219SC..Hα-helixtrans-69-35178.872.4-97.4000112.2C246 R250 V251 A252 I283 E286 V287C246-W248 PolarHBondContact O-N 3.09Å; C246-W248 VanDerWaalsContact SG-CE2 3.52Å; C246-W248 PolarHBondContact SG-NE1 2.97Å; W248-R250 VanDerWaalsContact C-N 3.33Å; W248-R250 PolarHBondContact O-N 3.06Å; W248-V251 PolarHBondContact O-N 3.1Å; W248-A252 HydrophobicContact CE3-CB 4.08Å; W248-A252 HydrophobicContact CZ3-CB 4.16Å; W248-A252 WeakPolarHBondContact O-CB 3.4Å; W248-A252 PolarHBondContact O-N 3.33Å; W248-I283 HydrophobicContact CH2-CG2 4.46Å; W248-I283 HydrophobicContact CZ3-CG1 4.35Å; W248-I283 HydrophobicContact CZ3-CG2 4.44Å; W248-E286 HydrophobicContact CH2-CB 3.63Å; W248-E286 HydrophobicContact CH2-CG 3.7Å; W248-E286 HydrophobicContact CZ2-CB 3.96Å; W248-E286 HydrophobicContact CZ2-CG 3.6Å; W248-E286 HydrophobicContact CZ3-CB 4.37Å; W248-E286 HydrophobicContact CZ3-CG 4.34Å; W248-V287 HydrophobicContact CH2-CG2 3.82Å; W248-V287 HydrophobicContact CZ2-CG2 3.93Å
249L70.9Confident70.3Confident0 Ų038.9 Ų38.90%020%0.203CC..Hα-helixtrans-64.6-37.3-176.3-175.664.2000111.7L239 V240 L243 C246 V251 A252 T253 I283 V287L239-L249 HydrophobicContact CB-CD2 4.24Å; L239-L249 HydrophobicContact CD1-CD1 4.32Å; V240-L249 HydrophobicContact CG2-CG 4.44Å; L243-L249 HydrophobicContact CB-CD2 3.72Å; L243-L249 HydrophobicContact CD1-CD2 3.82Å; L243-L249 HydrophobicContact CG-CD2 4.37Å; C246-L249 HydrophobicContact CB-CB 3.76Å; C246-L249 HydrophobicContact CB-CD2 4.1Å; C246-L249 WeakPolarHBondContact O-CB 3.39Å; C246-L249 PolarHBondContact O-N 2.75Å; C246-L249 VanDerWaalsContact SG-CB 3.55Å; L249-V251 VanDerWaalsContact C-N 3.34Å; L249-V251 PolarHBondContact O-N 2.98Å; L249-A252 PolarHBondContact O-N 3.25Å; L249-T253 HydrophobicContact CD1-CG2 4.01Å; L249-T253 HydrophobicContact CG-CG2 4.21Å; L249-T253 VanDerWaalsContact O-CB 3.3Å; L249-T253 WeakPolarHBondContact O-CB 3.24Å; L249-T253 VanDerWaalsContact O-CG2 3.24Å; L249-T253 WeakPolarHBondContact O-CG2 3.28Å; L249-T253 PolarHBondContact O-N 2.86Å; L249-T253 PolarHBondContact O-OG1 3.48Å; L249-I283 HydrophobicContact CD1-CG2 3.51Å; L249-V287 HydrophobicContact CD1-CG2 3.8Å; L249-V287 HydrophobicContact CD2-CG2 4.29Å
250R71.8Confident71Confident75 Ų7538.6 Ų38.628%0.28320%0.201SC..Hα-helixtrans-62.1-41.7175.9-65.6-177.4-175.8-1732112.2Y134 V240 P244 C246 W248 T253 A254Y134-R250 PolarHBondContact O-NH1 2.73Å; V240-R250 HydrophobicContact CG1-CG 3.85Å; V240-R250 HydrophobicContact CG2-CG 4.37Å; P244-R250 VanDerWaalsContact O-CZ 3.31Å; P244-R250 PolarHBondContact O-NE 2.84Å; P244-R250 PolarHBondContact O-NH2 2.94Å; C246-R250 PolarHBondContact O-N 3.32Å; W248-R250 VanDerWaalsContact C-N 3.33Å; W248-R250 PolarHBondContact O-N 3.06Å; R250-T253 WeakPolarHBondContact CA-OG1 3.37Å; R250-T253 PolarHBondContact O-OG1 2.75Å; R250-T253 VanDerWaalsContact O-OG1 3.12Å; R250-A254 WeakPolarHBondContact O-CB 3.42Å; R250-A254 PolarHBondContact O-N 2.93Å
251V70.3Confident71.7Confident102 Ų10240.4 Ų40.462%0.61821%0.21SC*.Hα-helixtrans-69.5-44.8179-179.70000110.4W248 L249 A254 F255W248-V251 PolarHBondContact O-N 3.1Å; L249-V251 VanDerWaalsContact C-N 3.34Å; L249-V251 PolarHBondContact O-N 2.98Å; V251-A254 PolarHBondContact O-N 3.11Å; V251-F255 WeakPolarHBondContact O-CB 3.14Å; V251-F255 PolarHBondContact O-N 3.16Å
252A76.1Confident72.8Confident19 Ų1946.5 Ų46.516%0.15724%0.239CC..Hα-helixtrans-63.8-4718000000112W248 L249 F255 A256 I283W248-A252 HydrophobicContact CE3-CB 4.08Å; W248-A252 HydrophobicContact CZ3-CB 4.16Å; W248-A252 WeakPolarHBondContact O-CB 3.4Å; W248-A252 PolarHBondContact O-N 3.33Å; L249-A252 PolarHBondContact O-N 3.25Å; A252-F255 WeakPolarHBondContact O-CB 3.5Å; A252-F255 PolarHBondContact O-N 2.87Å; A252-A256 PolarHBondContact O-N 2.88Å; A252-I283 HydrophobicContact CB-CD1 3.75Å; A252-I283 HydrophobicContact CB-CG1 3.85Å
253T82Confident73.6Confident4 Ų448.7 Ų48.73%0.02525%0.252CS..Hα-helixtrans-66.3-37.6176.9540000112.8C236 L239 V240 L249 R250 F255 A256 K257C236-T253 HydrophobicContact CB-CG2 3.91Å; L239-T253 HydrophobicContact CB-CG2 4.42Å; L239-T253 HydrophobicContact CD1-CG2 4.25Å; V240-T253 HydrophobicContact CG2-CG2 3.89Å; V240-T253 WeakPolarHBondContact CG2-OG1 3.47Å; L249-T253 HydrophobicContact CD1-CG2 4.01Å; L249-T253 HydrophobicContact CG-CG2 4.21Å; L249-T253 VanDerWaalsContact O-CB 3.3Å; L249-T253 WeakPolarHBondContact O-CB 3.24Å; L249-T253 VanDerWaalsContact O-CG2 3.24Å; L249-T253 WeakPolarHBondContact O-CG2 3.28Å; L249-T253 PolarHBondContact O-N 2.86Å; L249-T253 PolarHBondContact O-OG1 3.48Å; R250-T253 WeakPolarHBondContact CA-OG1 3.37Å; R250-T253 PolarHBondContact O-OG1 2.75Å; R250-T253 VanDerWaalsContact O-OG1 3.12Å; T253-F255 VanDerWaalsContact C-N 3.29Å; T253-F255 PolarHBondContact O-N 3.43Å; T253-A256 PolarHBondContact O-N 2.71Å; T253-K257 WeakPolarHBondContact O-CB 3.41Å; T253-K257 VanDerWaalsContact O-CG 3.31Å; T253-K257 WeakPolarHBondContact O-CG 3.5Å; T253-K257 PolarHBondContact O-N 3.43Å
254A76.7Confident74.4Confident36 Ų3648.8 Ų48.830%0.29825%0.253SS..Hα-helixtrans-64.4-35.2173.200000112.1R250 V251 R258R250-A254 WeakPolarHBondContact O-CB 3.42Å; R250-A254 PolarHBondContact O-N 2.93Å; V251-A254 PolarHBondContact O-N 3.11Å; A254-R258 WeakPolarHBondContact O-CG 3.4Å; A254-R258 PolarHBondContact O-N 3Å; A254-R258 PolarHBondContact O-NH1 2.79Å; A254-R258 VanDerWaalsContact O-NH1 3.17Å
255F80.8Confident75.5Confident103 Ų10352 Ų5245%0.45228%0.283SS..Hα-helixtrans-68.7-46.1174.3-178.2-116.6000111.9V251 A252 T253 K257 R258 K259 L279V251-F255 WeakPolarHBondContact O-CB 3.14Å; V251-F255 PolarHBondContact O-N 3.16Å; A252-F255 WeakPolarHBondContact O-CB 3.5Å; A252-F255 PolarHBondContact O-N 2.87Å; T253-F255 VanDerWaalsContact C-N 3.29Å; T253-F255 PolarHBondContact O-N 3.43Å; F255-K257 VanDerWaalsContact C-N 3.33Å; F255-K257 PolarHBondContact O-N 2.76Å; F255-R258 PolarHBondContact O-N 3.35Å; F255-R258 VanDerWaalsContact O-N 3.14Å; F255-K259 PolarHBondContact O-N 2.89Å; F255-L279 HydrophobicContact CD1-CD1 4.38Å; F255-L279 HydrophobicContact CD1-CD2 3.47Å; F255-L279 VanDerWaalsContact CD1-CD2 3.47Å; F255-L279 HydrophobicContact CE1-CD2 3.88Å
256A83.3Confident76.7Confident0 Ų054 Ų540%030%0.297CS..Hα-helixtrans-57.6-43.9175.800000112.4V232 A252 T253 R258 K259 A260 L276 L279 L280 I283V232-A256 HydrophobicContact CG1-CB 4.4Å; A252-A256 PolarHBondContact O-N 2.88Å; T253-A256 PolarHBondContact O-N 2.71Å; A256-R258 VanDerWaalsContact C-N 3.35Å; A256-R258 PolarHBondContact O-N 3.48Å; A256-K259 PolarHBondContact O-N 3.27Å; A256-A260 PolarHBondContact O-N 3.01Å; A256-L276 HydrophobicContact CB-CD1 3.84Å; A256-L279 HydrophobicContact CB-CD2 3.81Å; A256-L280 HydrophobicContact CB-CD2 3.95Å; A256-I283 HydrophobicContact CB-CD1 4.46Å
257K84.7Confident77.5Confident55 Ų5559.2 Ų59.224%0.23932%0.317CS..Hα-helixtrans-59.5-40.5175.3-76.3179-178-177.20113.2F233 C236 T253 F255 N261F233-K257 HydrophobicContact CD1-CD 3.76Å; F233-K257 HydrophobicContact CD1-CG 3.99Å; F233-K257 HydrophobicContact CD2-CB 4.19Å; F233-K257 HydrophobicContact CD2-CG 3.91Å; F233-K257 HydrophobicContact CE1-CB 4.08Å; F233-K257 HydrophobicContact CE1-CD 3.79Å; F233-K257 HydrophobicContact CE1-CG 4Å; F233-K257 HydrophobicContact CE2-CB 3.7Å; F233-K257 HydrophobicContact CE2-CG 3.93Å; F233-K257 VanDerWaalsContact CE2-O 3.3Å; F233-K257 WeakPolarHBondContact CE2-O 3.19Å; F233-K257 HydrophobicContact CG-CD 4.17Å; F233-K257 HydrophobicContact CG-CG 3.94Å; F233-K257 HydrophobicContact CZ-CB 3.63Å; F233-K257 HydrophobicContact CZ-CD 4.23Å; F233-K257 HydrophobicContact CZ-CG 3.97Å; C236-K257 HydrophobicContact CB-CD 4.27Å; C236-K257 HydrophobicContact CB-CG 4.08Å; T253-K257 WeakPolarHBondContact O-CB 3.41Å; T253-K257 VanDerWaalsContact O-CG 3.31Å; T253-K257 WeakPolarHBondContact O-CG 3.5Å; T253-K257 PolarHBondContact O-N 3.43Å; F255-K257 VanDerWaalsContact C-N 3.33Å; F255-K257 PolarHBondContact O-N 2.76Å; K257-N261 PolarHBondContact O-N 2.63Å
258R84.8Confident78.3Confident127 Ų12760.7 Ų60.748%0.47932%0.316SS..Hα-helixtrans-65.5-46.4176.6-74.9-172.4-62.9-85.82.5111.2A254 F255 A256 A260 N261 D262A254-R258 WeakPolarHBondContact O-CG 3.4Å; A254-R258 PolarHBondContact O-N 3Å; A254-R258 PolarHBondContact O-NH1 2.79Å; A254-R258 VanDerWaalsContact O-NH1 3.17Å; F255-R258 PolarHBondContact O-N 3.35Å; F255-R258 VanDerWaalsContact O-N 3.14Å; A256-R258 VanDerWaalsContact C-N 3.35Å; A256-R258 PolarHBondContact O-N 3.48Å; R258-A260 VanDerWaalsContact C-N 3.3Å; R258-A260 PolarHBondContact O-N 2.86Å; R258-N261 WeakPolarHBondContact O-CB 3.18Å; R258-N261 PolarHBondContact O-N 3.12Å; R258-N261 VanDerWaalsContact O-N 3.14Å; R258-D262 VanDerWaalsContact O-CG 3.23Å; R258-D262 PolarHBondContact O-N 2.92Å
259K83.3Confident78.5Confident32 Ų3260.4 Ų60.414%0.13932%0.319CS..Hα-helixtrans-61.3-38.5179.3-165.3165.8169.460.30112.1F255 A256 D262 D263 D273 E275 L276F255-K259 PolarHBondContact O-N 2.89Å; A256-K259 PolarHBondContact O-N 3.27Å; K259-D262 PolarHBondContact O-N 3.31Å; K259-D263 PolarHBondContact O-N 3.05Å; K259-D263 VanDerWaalsContact O-N 3.14Å; K259-D273 VanDerWaalsContact CE-CG 3.5Å; K259-D273 WeakPolarHBondContact CE-OD1 3.45Å; K259-D273 WeakPolarHBondContact CE-OD2 3.3Å; K259-D273 WeakPolarHBondContact CG-OD2 3.41Å; K259-D273 IonicContact NZ-OD1 2.9Å; K259-D273 PolarHBondContact NZ-OD1 3.46Å; K259-D273 IonicContact NZ-OD2 3.22Å; K259-D273 PolarHBondContact NZ-OD2 3.17Å; K259-E275 IonicContact NZ-OE2 3.65Å; K259-E275 PolarHBondContact NZ-OE2 3.24Å; K259-L276 HydrophobicContact CB-CD1 4.23Å; K259-L276 HydrophobicContact CB-CD2 4.36Å; K259-L276 HydrophobicContact CD-CB 3.98Å; K259-L276 HydrophobicContact CD-CD1 4.44Å; K259-L276 VanDerWaalsContact CE-N 3.3Å; K259-L276 HydrophobicContact CG-CB 4.11Å; K259-L276 HydrophobicContact CG-CD1 4.49Å; K259-L276 HydrophobicContact CG-CD2 4.38Å
260A82.6Confident78.8Confident0 Ų065.3 Ų65.30%035%0.349CS..Hα-helixtrans-61.8-45.2173.400000112.8T229 V232 A256 R258 D262 D263 T264 I271 L276T229-A260 HydrophobicContact CG2-CB 4.17Å; T229-A260 PolarHBondContact OG1-O 3.16Å; V232-A260 HydrophobicContact CB-CB 3.99Å; V232-A260 HydrophobicContact CG1-CB 3.92Å; V232-A260 HydrophobicContact CG2-CB 4.21Å; A256-A260 PolarHBondContact O-N 3.01Å; R258-A260 VanDerWaalsContact C-N 3.3Å; R258-A260 PolarHBondContact O-N 2.86Å; A260-D262 VanDerWaalsContact C-N 3.27Å; A260-D262 PolarHBondContact O-N 3.5Å; A260-D263 PolarHBondContact O-N 3.41Å; A260-T264 PolarHBondContact O-N 2.89Å; A260-T264 PolarHBondContact O-OG1 3.29Å; A260-I271 HydrophobicContact CB-CD1 3.72Å; A260-L276 HydrophobicContact CB-CD2 3.84Å
261N83.9Confident79.1Confident75 Ų7561.9 Ų61.940%0.40134%0.336SS..Hα-helixtrans-64.5-31175.5-79.3-9.3000113T229 F233 K257 R258T229-N261 VanDerWaalsContact CG2-OD1 3.24Å; T229-N261 WeakPolarHBondContact CG2-OD1 2.9Å; F233-N261 VanDerWaalsContact CE2-OD1 3.29Å; F233-N261 WeakPolarHBondContact CE2-OD1 3.22Å; K257-N261 PolarHBondContact O-N 2.63Å; R258-N261 WeakPolarHBondContact O-CB 3.18Å; R258-N261 PolarHBondContact O-N 3.12Å; R258-N261 VanDerWaalsContact O-N 3.14Å
262D83.7Confident79.5Confident141 Ų14162.9 Ų62.975%0.75434%0.338SS*.Hα-helixtrans-76.4-27.8-179.9-65.8-23.2000112.1R258 K259 A260R258-D262 VanDerWaalsContact O-CG 3.23Å; R258-D262 PolarHBondContact O-N 2.92Å; K259-D262 PolarHBondContact O-N 3.31Å; A260-D262 VanDerWaalsContact C-N 3.27Å; A260-D262 PolarHBondContact O-N 3.5Å
263D77.2Confident79.7Confident65 Ų6563 Ų6335%0.34834%0.336SS..Hα-helixtrans-86.9-17.8-175.6-162.651.5000113.9K259 A260 I271 D272 D273K259-D263 PolarHBondContact O-N 3.05Å; K259-D263 VanDerWaalsContact O-N 3.14Å; A260-D263 PolarHBondContact O-N 3.41Å; D263-I271 WeakPolarHBondContact OD2-CA 3.36Å; D263-I271 WeakPolarHBondContact OD2-CG2 3.11Å; D263-D272 PolarHBondContact OD2-N 3.27Å; D263-D272 VanDerWaalsContact OD2-N 3.16Å; D263-D273 HydrophobicContact CB-CB 4.48Å; D263-D273 PolarHBondContact OD2-N 2.83Å
264T77.7Confident79.6Confident19 Ų1968.2 Ų68.212%0.11736%0.363CS..  trans-128.8141-170.757.40000112.6T229 A260 S266 E269 I271T229-T264 PolarHBondContact OG1-OG1 2.95Å; A260-T264 PolarHBondContact O-N 2.89Å; A260-T264 PolarHBondContact O-OG1 3.29Å; T264-S266 VanDerWaalsContact CB-O 3.32Å; T264-S266 WeakPolarHBondContact CB-O 3.3Å; T264-S266 PolarHBondContact OG1-O 2.89Å; T264-E269 HydrophobicContact CG2-CB 4.07Å; T264-E269 HydrophobicContact CG2-CG 4.14Å; T264-I271 HydrophobicContact CG2-CG1 3.55Å
265A75.3Confident80Confident104 Ų10473 Ų7386%0.8638%0.38SS*.SBendtrans-84-19171.900000112E269A265-E269 PolarHBondContact N-OE2 3.25Å
266S77.4Confident80.2Confident54 Ų5468.1 Ų68.138%0.37836%0.358SS..SBendtrans-137.5158.7178.677.10000112.2T264 D268 E269T264-S266 VanDerWaalsContact CB-O 3.32Å; T264-S266 WeakPolarHBondContact CB-O 3.3Å; T264-S266 PolarHBondContact OG1-O 2.89Å; S266-D268 PolarHBondContact O-N 3.34Å; S266-E269 PolarHBondContact N-OE2 3.34Å; S266-E269 PolarHBondContact O-N 2.82Å; S266-E269 WeakPolarHBondContact OG-CB 3.41Å; S266-E269 PolarHBondContact OG-N 3.22Å
267W75.5Confident80Confident109 Ų10972.9 Ų72.941%0.41338%0.376SS..THydrogen-bonded Turntrans-69-22.2-175.7-76.472.9000114Y90 N228 T229 A230 F233Y90-W267 HydrophobicContact CE2-CZ3 4.46Å; N228-W267 WeakPolarHBondContact CB-O 2.97Å; T229-W267 HydrophobicContact CG2-CD2 4.11Å; T229-W267 HydrophobicContact CG2-CE3 3.9Å; T229-W267 HydrophobicContact CG2-CZ3 4.12Å; T229-W267 PolarHBondContact N-O 2.94Å; A230-W267 HydrophobicContact CB-CB 4.46Å; A230-W267 HydrophobicContact CB-CE3 4.14Å; A230-W267 PolarHBondContact N-O 3.46Å; F233-W267 HydrophobicContact CB-CZ3 3.95Å; F233-W267 AromaticContact CD1-CH2 3.87Å; F233-W267 HydrophobicContact CD1-CH2 3.87Å; F233-W267 HydrophobicContact CD1-CZ3 4.07Å; F233-W267 HydrophobicContact CD2-CH2 4.12Å; F233-W267 AromaticContact CD2-CZ3 3.91Å; F233-W267 HydrophobicContact CD2-CZ3 3.91Å; F233-W267 AromaticContact CE1-CH2 3.96Å; F233-W267 HydrophobicContact CE1-CH2 3.96Å; F233-W267 HydrophobicContact CE2-CH2 4.2Å; F233-W267 HydrophobicContact CE2-CZ3 4.4Å; F233-W267 AromaticContact CG-CH2 3.95Å; F233-W267 HydrophobicContact CG-CH2 3.95Å; F233-W267 AromaticContact CG-CZ3 3.72Å; F233-W267 HydrophobicContact CG-CZ3 3.72Å; F233-W267 HydrophobicContact CZ-CH2 4.12Å
268D76.1Confident79.8Confident65 Ų6573.6 Ų73.635%0.34839%0.385SS..THydrogen-bonded Turntrans-100.6-14.4-173.8-50.9-36.8000112.6P87 N228 S266P87-D268 WeakPolarHBondContact CB-OD1 3.5Å; P87-D268 HydrophobicContact CG-CB 4.23Å; P87-D268 VanDerWaalsContact CG-CG 3.5Å; P87-D268 WeakPolarHBondContact CG-OD1 3.48Å; N228-D268 PolarHBondContact ND2-O 3.39Å; S266-D268 PolarHBondContact O-N 3.34Å
269E74.4Confident79.9Confident84 Ų8468.9 Ų68.939%0.39337%0.369SS..SBendtrans-60.5136177-179.2170.8-159.100110.6N228 T264 A265 S266 I271N228-E269 WeakPolarHBondContact CA-O 3.38Å; N228-E269 WeakPolarHBondContact CB-O 3.22Å; T264-E269 HydrophobicContact CG2-CB 4.07Å; T264-E269 HydrophobicContact CG2-CG 4.14Å; A265-E269 PolarHBondContact N-OE2 3.25Å; S266-E269 PolarHBondContact N-OE2 3.34Å; S266-E269 PolarHBondContact O-N 2.82Å; S266-E269 WeakPolarHBondContact OG-CB 3.41Å; S266-E269 PolarHBondContact OG-N 3.22Å; E269-I271 PolarHBondContact O-N 3.47Å
270V77.3Confident79.8Confident103 Ų10368.8 Ų68.862%0.62437%0.37SS*.BIsolated β-bridgetrans-69.6118.2179.8-179.90000108.8A227 D272A227-V270 HydrophobicContact CB-CG1 4.43Å; A227-V270 CarbonylContact O-C 3.55Å; A227-V270 VanDerWaalsContact O-CA 3.25Å; A227-V270 WeakPolarHBondContact O-CA 3.11Å; V270-D272 PolarHBondContact O-N 3.3Å
271I77.9Confident79.7Confident3 Ų374.8 Ų74.82%0.01540%0.402CS..PPolyproline II helixtrans-64.4118.6166.6-67.8169.4000108.8A227 V232 A260 D263 T264 E269 D273 L276 R277A227-I271 WeakPolarHBondContact O-CB 3.32Å; A227-I271 PolarHBondContact O-N 3.32Å; V232-I271 HydrophobicContact CG2-CD1 3.61Å; A260-I271 HydrophobicContact CB-CD1 3.72Å; D263-I271 WeakPolarHBondContact OD2-CA 3.36Å; D263-I271 WeakPolarHBondContact OD2-CG2 3.11Å; T264-I271 HydrophobicContact CG2-CG1 3.55Å; E269-I271 PolarHBondContact O-N 3.47Å; I271-D273 HydrophobicContact CG2-CB 3.88Å; I271-L276 HydrophobicContact CD1-CD2 3.99Å; I271-L276 HydrophobicContact CG2-CD2 3.75Å; I271-L276 HydrophobicContact CG2-CG 4.47Å; I271-R277 PolarHBondContact O-NH2 3.47Å
272D78.6Confident79.6Confident122 Ų12276.8 Ų76.865%0.65241%0.409SS*.  trans-109.331.9173.5-162.228.6000111.6D263 V270D263-D272 PolarHBondContact OD2-N 3.27Å; D263-D272 VanDerWaalsContact OD2-N 3.16Å; V270-D272 PolarHBondContact O-N 3.3Å
273D81.3Confident79.5Confident22 Ų2270.3 Ų70.312%0.11837%0.374CS..  trans-91.9103.2175.8-172.8-28.7000111.6K259 D263 I271 E275 L276 R277K259-D273 VanDerWaalsContact CE-CG 3.5Å; K259-D273 WeakPolarHBondContact CE-OD1 3.45Å; K259-D273 WeakPolarHBondContact CE-OD2 3.3Å; K259-D273 WeakPolarHBondContact CG-OD2 3.41Å; K259-D273 IonicContact NZ-OD1 2.9Å; K259-D273 PolarHBondContact NZ-OD1 3.46Å; K259-D273 IonicContact NZ-OD2 3.22Å; K259-D273 PolarHBondContact NZ-OD2 3.17Å; D263-D273 HydrophobicContact CB-CB 4.48Å; D263-D273 PolarHBondContact OD2-N 2.83Å; I271-D273 HydrophobicContact CG2-CB 3.88Å; D273-E275 VanDerWaalsContact C-N 3.3Å; D273-E275 PolarHBondContact O-N 2.99Å; D273-E275 WeakPolarHBondContact OD1-CA 3.29Å; D273-E275 VanDerWaalsContact OD1-CB 3.28Å; D273-E275 WeakPolarHBondContact OD1-CB 3.21Å; D273-E275 PolarHBondContact OD1-N 3.16Å; D273-L276 HydrophobicContact CB-CB 3.79Å; D273-L276 PolarHBondContact O-N 3.22Å; D273-L276 PolarHBondContact OD1-N 2.83Å; D273-R277 WeakPolarHBondContact O-CG 3.49Å; D273-R277 PolarHBondContact O-N 3.42Å
274N79.6Confident79.6Confident113 Ų11368.4 Ų68.460%0.60437%0.367SS*.Hα-helixtrans-62.8-32.2176.1-77.2-43.3000113.5T278N274-T278 WeakPolarHBondContact O-CB 3.33Å; N274-T278 PolarHBondContact O-N 3.16Å; N274-T278 PolarHBondContact O-OG1 3.45Å
275E84.8Confident79.6Confident137 Ų13769.8 Ų69.864%0.6438%0.381SS*.Hα-helixtrans-70.7-39.3176.8-64179171.400110.5K259 D273 T278 L279K259-E275 IonicContact NZ-OE2 3.65Å; K259-E275 PolarHBondContact NZ-OE2 3.24Å; D273-E275 VanDerWaalsContact C-N 3.3Å; D273-E275 PolarHBondContact O-N 2.99Å; D273-E275 WeakPolarHBondContact OD1-CA 3.29Å; D273-E275 VanDerWaalsContact OD1-CB 3.28Å; D273-E275 WeakPolarHBondContact OD1-CB 3.21Å; D273-E275 PolarHBondContact OD1-N 3.16Å; E275-T278 PolarHBondContact O-N 2.82Å; E275-L279 WeakPolarHBondContact O-CB 3.35Å; E275-L279 PolarHBondContact O-N 3.25Å
276L84.2Confident79.7Confident1 Ų167.7 Ų67.71%0.00535%0.353CS..Hα-helixtrans-65.6-43.4175.6177.951.9000111V232 A256 K259 A260 I271 D273 T278 L279 L280V232-L276 HydrophobicContact CG2-CD2 4.43Å; A256-L276 HydrophobicContact CB-CD1 3.84Å; K259-L276 HydrophobicContact CB-CD1 4.23Å; K259-L276 HydrophobicContact CB-CD2 4.36Å; K259-L276 HydrophobicContact CD-CB 3.98Å; K259-L276 HydrophobicContact CD-CD1 4.44Å; K259-L276 VanDerWaalsContact CE-N 3.3Å; K259-L276 HydrophobicContact CG-CB 4.11Å; K259-L276 HydrophobicContact CG-CD1 4.49Å; K259-L276 HydrophobicContact CG-CD2 4.38Å; A260-L276 HydrophobicContact CB-CD2 3.84Å; I271-L276 HydrophobicContact CD1-CD2 3.99Å; I271-L276 HydrophobicContact CG2-CD2 3.75Å; I271-L276 HydrophobicContact CG2-CG 4.47Å; D273-L276 HydrophobicContact CB-CB 3.79Å; D273-L276 PolarHBondContact O-N 3.22Å; D273-L276 PolarHBondContact OD1-N 2.83Å; L276-T278 VanDerWaalsContact C-N 3.31Å; L276-T278 PolarHBondContact O-N 3.02Å; L276-L279 HydrophobicContact CD1-CD2 4.32Å; L276-L279 PolarHBondContact O-N 3Å; L276-L280 HydrophobicContact CD1-CD1 4.09Å; L276-L280 HydrophobicContact CD1-CG 4.08Å; L276-L280 HydrophobicContact CG-CD1 4.15Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.35Å; L276-L280 PolarHBondContact O-N 2.88Å
277R79.5Confident79.4Confident100 Ų10066.3 Ų66.338%0.37734%0.342SS..Hα-helixtrans-58.6-45173.3-70.8178.2-176.8-164.35.6111.5I271 D273 L280 L281I271-R277 PolarHBondContact O-NH2 3.47Å; D273-R277 WeakPolarHBondContact O-CG 3.49Å; D273-R277 PolarHBondContact O-N 3.42Å; R277-L280 PolarHBondContact O-N 3.04Å; R277-L281 WeakPolarHBondContact O-CG 3.43Å; R277-L281 PolarHBondContact O-N 3.34Å
278T81.5Confident79.1Confident69 Ų6969 Ų6942%0.42336%0.357SS..Hα-helixtrans-61.2-47.3176.8-56.80000111.1N274 E275 L276 L280 L281 E282N274-T278 WeakPolarHBondContact O-CB 3.33Å; N274-T278 PolarHBondContact O-N 3.16Å; N274-T278 PolarHBondContact O-OG1 3.45Å; E275-T278 PolarHBondContact O-N 2.82Å; L276-T278 VanDerWaalsContact C-N 3.31Å; L276-T278 PolarHBondContact O-N 3.02Å; T278-L280 PolarHBondContact O-N 3.44Å; T278-L281 PolarHBondContact O-N 3.33Å; T278-E282 HydrophobicContact CG2-CG 4.42Å; T278-E282 WeakPolarHBondContact O-CG 3.02Å; T278-E282 PolarHBondContact O-N 3.5Å
279L85Confident78.7Confident28 Ų2871.4 Ų71.415%0.14737%0.374CS..Hα-helixtrans-58-44.3176.9176.569000112.4F255 A256 E275 L276 L281 E282 I283F255-L279 HydrophobicContact CD1-CD1 4.38Å; F255-L279 HydrophobicContact CD1-CD2 3.47Å; F255-L279 VanDerWaalsContact CD1-CD2 3.47Å; F255-L279 HydrophobicContact CE1-CD2 3.88Å; A256-L279 HydrophobicContact CB-CD2 3.81Å; E275-L279 WeakPolarHBondContact O-CB 3.35Å; E275-L279 PolarHBondContact O-N 3.25Å; L276-L279 HydrophobicContact CD1-CD2 4.32Å; L276-L279 PolarHBondContact O-N 3Å; L279-L281 VanDerWaalsContact C-N 3.34Å; L279-E282 PolarHBondContact O-N 3.1Å; L279-I283 HydrophobicContact CD1-CD1 4.3Å; L279-I283 HydrophobicContact CG-CD1 4.05Å; L279-I283 VanDerWaalsContact O-CG1 3.24Å; L279-I283 WeakPolarHBondContact O-CG1 3.32Å; L279-I283 PolarHBondContact O-N 2.94Å
280L82.9Confident78.1Confident30 Ų3075.2 Ų75.216%0.15739%0.385CS..Hα-helixtrans-65.4-38.8178.4-69.8169.3000111.8V232 Y235 A256 L276 R277 T278 I283 A284V232-L280 HydrophobicContact CG1-CD1 4.45Å; V232-L280 HydrophobicContact CG1-CD2 4.35Å; V232-L280 HydrophobicContact CG2-CD1 3.89Å; Y235-L280 HydrophobicContact CD1-CD2 3.78Å; Y235-L280 HydrophobicContact CE1-CD2 3.83Å; A256-L280 HydrophobicContact CB-CD2 3.95Å; L276-L280 HydrophobicContact CD1-CD1 4.09Å; L276-L280 HydrophobicContact CD1-CG 4.08Å; L276-L280 HydrophobicContact CG-CD1 4.15Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.35Å; L276-L280 PolarHBondContact O-N 2.88Å; R277-L280 PolarHBondContact O-N 3.04Å; T278-L280 PolarHBondContact O-N 3.44Å; L280-I283 PolarHBondContact O-N 2.92Å; L280-A284 WeakPolarHBondContact O-CB 3.14Å; L280-A284 PolarHBondContact O-N 3.41Å
281L78.9Confident77.3Confident127 Ų12772.6 Ų72.667%0.66537%0.367SS*.Hα-helixtrans-66.6-40.4174.5-70.9171.2000112R277 T278 L279 A284 A285R277-L281 WeakPolarHBondContact O-CG 3.43Å; R277-L281 PolarHBondContact O-N 3.34Å; T278-L281 PolarHBondContact O-N 3.33Å; L279-L281 VanDerWaalsContact C-N 3.34Å; L281-A284 PolarHBondContact O-N 3.17Å; L281-A285 WeakPolarHBondContact O-CB 3.42Å; L281-A285 PolarHBondContact O-N 3.37Å
282E83.1Confident76.1Confident116 Ų11673 Ų7354%0.54237%0.369SS..Hα-helixtrans-62.6-46.3174.2-74.2174.617800111.3T278 L279 A284 A285 E286T278-E282 HydrophobicContact CG2-CG 4.42Å; T278-E282 WeakPolarHBondContact O-CG 3.02Å; T278-E282 PolarHBondContact O-N 3.5Å; L279-E282 PolarHBondContact O-N 3.1Å; E282-A284 VanDerWaalsContact C-N 3.32Å; E282-A284 PolarHBondContact O-N 2.79Å; E282-A285 PolarHBondContact O-N 2.78Å; E282-E286 VanDerWaalsContact O-CB 3.3Å; E282-E286 WeakPolarHBondContact O-CB 3.47Å; E282-E286 PolarHBondContact O-N 3.32Å
283I82.2Confident74.8Confident5 Ų569.9 Ų69.93%0.02636%0.361CS..Hα-helixtrans-56.9-47.4174.3-70.7166.8000110.2L239 W248 L249 A252 A256 L279 L280 A285 E286 V287L239-I283 HydrophobicContact CD1-CG2 3.72Å; W248-I283 HydrophobicContact CH2-CG2 4.46Å; W248-I283 HydrophobicContact CZ3-CG1 4.35Å; W248-I283 HydrophobicContact CZ3-CG2 4.44Å; L249-I283 HydrophobicContact CD1-CG2 3.51Å; A252-I283 HydrophobicContact CB-CD1 3.75Å; A252-I283 HydrophobicContact CB-CG1 3.85Å; A256-I283 HydrophobicContact CB-CD1 4.46Å; L279-I283 HydrophobicContact CD1-CD1 4.3Å; L279-I283 HydrophobicContact CG-CD1 4.05Å; L279-I283 VanDerWaalsContact O-CG1 3.24Å; L279-I283 WeakPolarHBondContact O-CG1 3.32Å; L279-I283 PolarHBondContact O-N 2.94Å; L280-I283 PolarHBondContact O-N 2.92Å; I283-A285 PolarHBondContact O-N 2.75Å; I283-E286 PolarHBondContact O-N 3.46Å; I283-V287 WeakPolarHBondContact O-CB 3.4Å; I283-V287 VanDerWaalsContact O-CG2 3.29Å; I283-V287 WeakPolarHBondContact O-CG2 3.13Å; I283-V287 PolarHBondContact O-N 2.89Å
284A78.8Confident73.2Confident25 Ų2578 Ų7821%0.20739%0.39CS..Hα-helixtrans-63.5-41179.800000112.6Y235 L280 L281 E282 K288Y235-A284 WeakPolarHBondContact OH-CB 3.38Å; L280-A284 WeakPolarHBondContact O-CB 3.14Å; L280-A284 PolarHBondContact O-N 3.41Å; L281-A284 PolarHBondContact O-N 3.17Å; E282-A284 VanDerWaalsContact C-N 3.32Å; E282-A284 PolarHBondContact O-N 2.79Å; A284-K288 WeakPolarHBondContact O-CG 3.33Å; A284-K288 PolarHBondContact O-N 3.24Å
285A76.6Confident72.3Confident49 Ų4975.2 Ų75.241%0.40539%0.388SS..Hα-helixtrans-67.7-44.6178.300000111.2L281 E282 I283 K288 V289L281-A285 WeakPolarHBondContact O-CB 3.42Å; L281-A285 PolarHBondContact O-N 3.37Å; E282-A285 PolarHBondContact O-N 2.78Å; I283-A285 PolarHBondContact O-N 2.75Å; A285-K288 WeakPolarHBondContact O-CB 3.37Å; A285-K288 PolarHBondContact O-N 3.11Å; A285-K288 VanDerWaalsContact O-N 3.11Å; A285-V289 WeakPolarHBondContact O-CG2 3.17Å; A285-V289 PolarHBondContact O-N 2.79Å
286E77.9Confident70.9Confident60 Ų6073.4 Ų73.428%0.2839%0.386SS..Hα-helixtrans-66.3-41.4-178.5-16868-174.600111.4W248 E282 I283 K288 V289 R290W248-E286 HydrophobicContact CH2-CB 3.63Å; W248-E286 HydrophobicContact CH2-CG 3.7Å; W248-E286 HydrophobicContact CZ2-CB 3.96Å; W248-E286 HydrophobicContact CZ2-CG 3.6Å; W248-E286 HydrophobicContact CZ3-CB 4.37Å; W248-E286 HydrophobicContact CZ3-CG 4.34Å; E282-E286 VanDerWaalsContact O-CB 3.3Å; E282-E286 WeakPolarHBondContact O-CB 3.47Å; E282-E286 PolarHBondContact O-N 3.32Å; I283-E286 PolarHBondContact O-N 3.46Å; E286-K288 PolarHBondContact O-N 3.05Å; E286-V289 PolarHBondContact O-N 3.1Å; E286-R290 PolarHBondContact O-N 3.23Å; E286-R290 WeakPolarHBondContact OE1-CD 3.42Å; E286-R290 IonicContact OE1-CZ 2.73Å; E286-R290 IonicContact OE1-NE 3.76Å; E286-R290 PolarHBondContact OE1-NE 3.25Å; E286-R290 IonicContact OE1-NH1 2.75Å; E286-R290 PolarHBondContact OE1-NH1 3.47Å
287V71.9Confident69.8Low24 Ų2475.8 Ų75.815%0.14540%0.395CS..Hα-helixtrans-58.8-34.2172.3167.10000112.1L243 W248 L249 I283 R290 D291L243-V287 HydrophobicContact CD1-CB 4.43Å; L243-V287 HydrophobicContact CD1-CG1 3.46Å; L243-V287 VanDerWaalsContact CD1-CG1 3.46Å; L243-V287 HydrophobicContact CD1-CG2 4.06Å; W248-V287 HydrophobicContact CH2-CG2 3.82Å; W248-V287 HydrophobicContact CZ2-CG2 3.93Å; L249-V287 HydrophobicContact CD1-CG2 3.8Å; L249-V287 HydrophobicContact CD2-CG2 4.29Å; I283-V287 WeakPolarHBondContact O-CB 3.4Å; I283-V287 VanDerWaalsContact O-CG2 3.29Å; I283-V287 WeakPolarHBondContact O-CG2 3.13Å; I283-V287 PolarHBondContact O-N 2.89Å; V287-R290 CarbonylContact O-C 3.5Å; V287-D291 VanDerWaalsContact O-CA 3.28Å; V287-D291 WeakPolarHBondContact O-CA 3.13Å; V287-D291 PolarHBondContact O-N 3.49Å
288K68.4Low69Low167 Ų16777.4 Ų77.473%0.72641%0.411SS*.Hα-helixtrans-76-39.5177.8-74.2174.6-179.6-178.80113A284 A285 E286A284-K288 WeakPolarHBondContact O-CG 3.33Å; A284-K288 PolarHBondContact O-N 3.24Å; A285-K288 WeakPolarHBondContact O-CB 3.37Å; A285-K288 PolarHBondContact O-N 3.11Å; A285-K288 VanDerWaalsContact O-N 3.11Å; E286-K288 PolarHBondContact O-N 3.05Å
289V67.4Low68.2Low115 Ų11576.8 Ų76.870%0.69741%0.408SS*.Hα-helixtrans-75-43.9-178.3173.70000110.5A285 E286A285-V289 WeakPolarHBondContact O-CG2 3.17Å; A285-V289 PolarHBondContact O-N 2.79Å; E286-V289 PolarHBondContact O-N 3.1Å
290R62.4Low67.4Low164 Ų16481 Ų8162%0.61944%0.439SS*.SBendtrans-117.768.8-179.1-57.4-171.4-178157.4-8.9107.9E286 V287 P292E286-R290 PolarHBondContact O-N 3.23Å; E286-R290 WeakPolarHBondContact OE1-CD 3.42Å; E286-R290 IonicContact OE1-CZ 2.73Å; E286-R290 IonicContact OE1-NE 3.76Å; E286-R290 PolarHBondContact OE1-NE 3.25Å; E286-R290 IonicContact OE1-NH1 2.75Å; E286-R290 PolarHBondContact OE1-NH1 3.47Å; V287-R290 CarbonylContact O-C 3.5Å; R290-P292 WeakPolarHBondContact O-CD 3.39Å
291D59.7Low67Low48 Ų4882.6 Ų82.626%0.25746%0.463SS..  trans-56.1107.4171176.2-5.1000107.1V287 A293 R294V287-D291 VanDerWaalsContact O-CA 3.28Å; V287-D291 WeakPolarHBondContact O-CA 3.13Å; V287-D291 PolarHBondContact O-N 3.49Å; D291-A293 PolarHBondContact O-N 3.06Å; D291-A293 VanDerWaalsContact O-N 3.12Å; D291-A293 WeakPolarHBondContact OD1-CB 3.16Å; D291-A293 PolarHBondContact OD1-N 3.33Å; D291-R294 HydrophobicContact CB-CB 3.97Å; D291-R294 HydrophobicContact CB-CG 4.12Å; D291-R294 PolarHBondContact O-N 3.08Å; D291-R294 VanDerWaalsContact O-O 3.08Å; D291-R294 WeakPolarHBondContact OD2-CD 3.45Å; D291-R294 WeakPolarHBondContact OD2-CG 3.45Å; D291-R294 IonicContact OD2-NE 3.38Å; D291-R294 PolarHBondContact OD2-NE 3.44Å
292P52.9Low67.1Low10 Ų1083.8 Ų83.87%0.06547%0.47CS..THydrogen-bonded Turntrans-72.4-9.3-170.232.1-35.4000111.5L243 C246 R290L243-P292 HydrophobicContact CB-CG 4.12Å; L243-P292 HydrophobicContact CD1-CG 3.98Å; L243-P292 HydrophobicContact CD2-CG 3.92Å; L243-P292 HydrophobicContact CG-CG 4.22Å; C246-P292 HydrophobicContact CB-CB 3.76Å; C246-P292 HydrophobicContact CB-CG 3.59Å; C246-P292 VanDerWaalsContact SG-CB 3.51Å; C246-P292 VanDerWaalsContact SG-CG 3.52Å; R290-P292 WeakPolarHBondContact O-CD 3.39Å
293A52.2Low67Low58 Ų5885.6 Ų85.648%0.47948%0.479SS..THydrogen-bonded Turntrans-91-9.8170.900000112.9L243 D291L243-A293 HydrophobicContact CD2-CB 4.44Å; D291-A293 PolarHBondContact O-N 3.06Å; D291-A293 VanDerWaalsContact O-N 3.12Å; D291-A293 WeakPolarHBondContact OD1-CB 3.16Å; D291-A293 PolarHBondContact OD1-N 3.33Å
294R48.1Very low66.7Low192 Ų19288.2 Ų88.273%0.72550%0.501SS*.  trans-105.7145.3177.1-76.2178.7179.6-162.7-2.9111.6D291 A329D291-R294 HydrophobicContact CB-CB 3.97Å; D291-R294 HydrophobicContact CB-CG 4.12Å; D291-R294 PolarHBondContact O-N 3.08Å; D291-R294 VanDerWaalsContact O-O 3.08Å; D291-R294 WeakPolarHBondContact OD2-CD 3.45Å; D291-R294 WeakPolarHBondContact OD2-CG 3.45Å; D291-R294 IonicContact OD2-NE 3.38Å; D291-R294 PolarHBondContact OD2-NE 3.44Å; R294-A329 WeakPolarHBondContact O-CB 3.43Å
295G59.7Low66.7Low54 Ų5490.3 Ų90.356%0.55751%0.511SS*.SBendtrans136.3-178.6178.300000111.5
296T55Low66.4Low99 Ų9991.7 Ų91.761%0.60751%0.514SS*.  trans-87.7125.5171.4-52.80000108.1D298 A330T296-D298 WeakPolarHBondContact CG2-OD1 3.42Å; T296-D298 PolarHBondContact O-N 3.34Å; T296-A330 PolarHBondContact O-N 3.38Å
297W61.1Low65.8Low51 Ų5193.8 Ų93.819%0.19352%0.52CS..  trans-92.289.9177.4-65.364.5000107.4V245 V299 F319 V326 A329V245-W297 HydrophobicContact CG2-CH2 4.21Å; W297-V299 HydrophobicContact CB-CG1 4.47Å; W297-V299 PolarHBondContact O-N 3.28Å; W297-V299 VanDerWaalsContact O-N 3.11Å; W297-F319 HydrophobicContact CD2-CD2 4.41Å; W297-F319 HydrophobicContact CE3-CB 4.47Å; W297-F319 HydrophobicContact CE3-CD2 4.22Å; W297-F319 HydrophobicContact CZ3-CD2 4.32Å; W297-V326 HydrophobicContact CD2-CG1 4.44Å; W297-V326 HydrophobicContact CE3-CB 3.54Å; W297-V326 HydrophobicContact CE3-CG1 3.27Å; W297-V326 HydrophobicContact CE3-CG2 4.47Å; W297-V326 HydrophobicContact CZ3-CB 3.56Å; W297-V326 HydrophobicContact CZ3-CG1 3.53Å; W297-V326 WeakPolarHBondContact CZ3-O 3.25Å; W297-A329 HydrophobicContact CD2-CB 4.47Å; W297-A329 HydrophobicContact CZ2-CB 4.35Å
298D62.9Low64.9Low134 Ų13496.6 Ų96.672%0.71754%0.537SS*.  trans-78.194.3-179.9-80.2-21.4000110.3T296 A330T296-D298 WeakPolarHBondContact CG2-OD1 3.42Å; T296-D298 PolarHBondContact O-N 3.34Å; D298-A330 HydrophobicContact CB-CB 4.46Å
299V65.3Low64.1Low57 Ų5789.3 Ų89.335%0.34551%0.506SS..  trans-120135.9-173.5-64.10000110W297 G301 V321 V326W297-V299 HydrophobicContact CB-CG1 4.47Å; W297-V299 PolarHBondContact O-N 3.28Å; W297-V299 VanDerWaalsContact O-N 3.11Å; V299-G301 PolarHBondContact O-N 3.25Å; V299-V321 HydrophobicContact CB-CB 4.19Å; V299-V321 HydrophobicContact CB-CG1 4.01Å; V299-V321 HydrophobicContact CB-CG2 3.85Å; V299-V321 HydrophobicContact CG1-CG2 4.04Å; V299-V321 HydrophobicContact CG2-CB 4.49Å; V299-V321 HydrophobicContact CG2-CG1 4.19Å; V299-V321 HydrophobicContact CG2-CG2 3.78Å; V299-V326 HydrophobicContact CG1-CB 4.38Å; V299-V326 HydrophobicContact CG1-CG1 3.93Å; V299-V326 HydrophobicContact CG1-CG2 3.54Å
300S69Low62.8Low116 Ų11688.6 Ų88.681%0.81151%0.512SS*.SBendtrans-77.5116.4176.459.60000110.3V321S300-V321 WeakPolarHBondContact O-CG1 3.42Å
301G73.4Confident61.9Low64 Ų6482.8 Ų82.866%0.6650%0.496SS*.SBendtrans151.3171.617700000112.1V299V299-G301 PolarHBondContact O-N 3.25Å
302N80.7Confident60.7Low151 Ų15186.4 Ų86.481%0.80753%0.526SS*.SBendtrans-112.31.4173.761.9-35.9000112.6
303E80.6Confident59.9Low155 Ų15590.2 Ų90.272%0.72455%0.545SS*.  trans-140.7140.4-176.6-66.1-179.1-179.700110.5
304A76.7Confident59.4Low59 Ų5990.5 Ų90.549%0.48855%0.547SS..  trans-141.5143.7175.800000110.2E320 V321A304-E320 CarbonylContact C-O 3.59Å; A304-E320 WeakPolarHBondContact CA-O 3.45Å; A304-V321 HydrophobicContact CB-CG2 3.8Å
305T77.8Confident59.3Low70 Ų7083.2 Ų83.243%0.42952%0.524SS..EExtended strand (participates in β ladder)trans-104.5122.2172.9-55.90000109.1W307 E320T305-W307 HydrophobicContact CG2-CD2 4.32Å; T305-W307 HydrophobicContact CG2-CZ2 3.87Å; T305-E320 PolarHBondContact N-O 2.61Å; T305-E320 PolarHBondContact O-N 3.45Å
306V71.6Confident58.6Low77 Ų7781 Ų8147%0.46750%0.5SS..EExtended strand (participates in β ladder)trans-93.3119.4174.2-174.40000108.7V308 A317 F319V306-V308 HydrophobicContact CG1-CG2 4.47Å; V306-A317 HydrophobicContact CG1-CB 4.23Å; V306-F319 HydrophobicContact CG2-CD1 3.7Å; V306-F319 HydrophobicContact CG2-CE1 3.47Å; V306-F319 VanDerWaalsContact CG2-CE1 3.47Å; V306-F319 HydrophobicContact CG2-CZ 4.28Å
307W64.1Low58.7Low104 Ų10478.4 Ų78.439%0.39449%0.489SS..EExtended strand (participates in β ladder)trans-96124.3172.7-58.995.3000108.6T305 A317 A318 E320T305-W307 HydrophobicContact CG2-CD2 4.32Å; T305-W307 HydrophobicContact CG2-CZ2 3.87Å; W307-A317 CarbonylContact O-C 3.55Å; W307-A317 WeakPolarHBondContact O-CA 3.43Å; W307-A318 HydrophobicContact CB-CB 4.3Å; W307-A318 PolarHBondContact N-O 2.83Å; W307-A318 PolarHBondContact O-N 3.03Å; W307-E320 VanDerWaalsContact CE2-OE2 3.27Å; W307-E320 VanDerWaalsContact CZ2-OE2 3.25Å; W307-E320 WeakPolarHBondContact CZ2-OE2 3.45Å; W307-E320 PolarHBondContact NE1-OE2 3.1Å
308V54.6Low58.8Low84 Ų8477.1 Ų77.151%0.50949%0.489SS..EExtended strand (participates in β ladder)trans-122.8154.4174.9-124.70000107.9V306 A314 A316 A317V306-V308 HydrophobicContact CG1-CG2 4.47Å; V308-A314 HydrophobicContact CG1-CB 4.04Å; V308-A316 WeakPolarHBondContact CA-O 3.18Å; V308-A316 WeakPolarHBondContact CG1-O 3.22Å; V308-A317 HydrophobicContact CG1-CB 4.31Å
309D51.6Low59.1Low13 Ų1374.1 Ų74.17%0.0747%0.47CS..  trans-63.515717348.977.9000116.2S214 L215 S311 A314 V315 A316S214-D309 VanDerWaalsContact CA-CB 3.41Å; S214-D309 WeakPolarHBondContact CB-OD2 3.42Å; S214-D309 WeakPolarHBondContact O-CB 3.49Å; S214-D309 WeakPolarHBondContact OG-CB 3.4Å; S214-D309 VanDerWaalsContact OG-CG 3.28Å; S214-D309 PolarHBondContact OG-N 2.81Å; S214-D309 PolarHBondContact OG-OD2 3.04Å; L215-D309 PolarHBondContact N-OD2 3.35Å; D309-S311 PolarHBondContact O-N 3Å; D309-S311 WeakPolarHBondContact OD1-CB 3.43Å; D309-S311 PolarHBondContact OD1-N 3.3Å; D309-S311 VanDerWaalsContact OD1-N 3.13Å; D309-S311 PolarHBondContact OD1-OG 3.48Å; D309-A314 VanDerWaalsContact OD1-CA 3.22Å; D309-A314 WeakPolarHBondContact OD1-CA 3.49Å; D309-A314 PolarHBondContact OD1-N 3.42Å; D309-V315 WeakPolarHBondContact OD2-CG2 3.01Å; D309-V315 PolarHBondContact OD2-N 3.08Å; D309-A316 PolarHBondContact OD2-N 2.73Å
310A38.8Very low59.5Low101 Ų10173.9 Ų73.984%0.83547%0.465SS*.SBendtrans-79.210.8169.500000113.6
311S45.1Very low59.8Low41 Ų4169.1 Ų69.129%0.28743%0.431SS..SBendtrans-74.3153.7171.188.60000108.8D309 L313 A314D309-S311 PolarHBondContact O-N 3Å; D309-S311 WeakPolarHBondContact OD1-CB 3.43Å; D309-S311 PolarHBondContact OD1-N 3.3Å; D309-S311 VanDerWaalsContact OD1-N 3.13Å; D309-S311 PolarHBondContact OD1-OG 3.48Å; S311-L313 PolarHBondContact O-N 3.17Å; S311-L313 PolarHBondContact OG-N 3.25Å; S311-A314 PolarHBondContact OG-N 2.9Å
312S34Very low60Low125 Ų12569.8 Ų69.887%0.87444%0.438SS*.THydrogen-bonded Turntrans-65.76.2176.452.70000114.1
313L36.5Very low59.8Low90 Ų9065.2 Ų65.247%0.47143%0.426SS..THydrogen-bonded Turntrans-132.7-12.9-159.6-77.8170.2000112.4T216 S311 V315T216-L313 VanDerWaalsContact CB-CB 3.47Å; T216-L313 HydrophobicContact CG2-CB 3.33Å; T216-L313 HydrophobicContact CG2-CD1 3.99Å; T216-L313 HydrophobicContact CG2-CD2 4.11Å; T216-L313 HydrophobicContact CG2-CG 3.99Å; T216-L313 WeakPolarHBondContact OG1-CB 3.41Å; T216-L313 WeakPolarHBondContact OG1-CD1 3.47Å; T216-L313 WeakPolarHBondContact OG1-CG 3.27Å; S311-L313 PolarHBondContact O-N 3.17Å; S311-L313 PolarHBondContact OG-N 3.25Å; L313-V315 HydrophobicContact CB-CG2 4.13Å; L313-V315 WeakPolarHBondContact O-CG2 3.14Å
314A40.5Very low59Low63 Ų6361.7 Ų61.752%0.52142%0.419SS..  trans49.193.3166.300000118.1V308 D309 S311V308-A314 HydrophobicContact CG1-CB 4.04Å; D309-A314 VanDerWaalsContact OD1-CA 3.22Å; D309-A314 WeakPolarHBondContact OD1-CA 3.49Å; D309-A314 PolarHBondContact OD1-N 3.42Å; S311-A314 PolarHBondContact OG-N 2.9Å
315V46.8Very low58.6Low39 Ų3961 Ų6124%0.23641%0.406CS..  trans-149.7-17.2-147.1-150.10000116.8L215 T216 D309 L313L215-V315 WeakPolarHBondContact O-CB 3.38Å; L215-V315 WeakPolarHBondContact O-CG1 3.4Å; T216-V315 VanDerWaalsContact CA-CB 3.46Å; T216-V315 HydrophobicContact CG2-CB 3.95Å; T216-V315 HydrophobicContact CG2-CG1 3.61Å; T216-V315 HydrophobicContact CG2-CG2 3.3Å; T216-V315 VanDerWaalsContact OG1-CG2 3.29Å; T216-V315 WeakPolarHBondContact OG1-CG2 3.41Å; D309-V315 WeakPolarHBondContact OD2-CG2 3.01Å; D309-V315 PolarHBondContact OD2-N 3.08Å; L313-V315 HydrophobicContact CB-CG2 4.13Å; L313-V315 WeakPolarHBondContact O-CG2 3.14Å
316A44.4Very low58Low7 Ų758.9 Ų58.96%0.05839%0.394CS..  trans-116.3144.3142.900000108.2S214 P244 V308 D309S214-A316 VanDerWaalsContact OG-CA 3.3Å; S214-A316 WeakPolarHBondContact OG-CA 3.47Å; S214-A316 WeakPolarHBondContact OG-CB 2.79Å; S214-A316 PolarHBondContact OG-N 3.23Å; S214-A316 PolarHBondContact OG-O 2.8Å; P244-A316 HydrophobicContact CG-CB 3.73Å; V308-A316 WeakPolarHBondContact CA-O 3.18Å; V308-A316 WeakPolarHBondContact CG1-O 3.22Å; D309-A316 PolarHBondContact OD2-N 2.73Å
317A56.9Low57.2Low46 Ų4658.6 Ų58.638%0.3839%0.387SS..EExtended strand (participates in β ladder)trans-116.8140.8167.200000107.6V306 W307 V308V306-A317 HydrophobicContact CG1-CB 4.23Å; W307-A317 CarbonylContact O-C 3.55Å; W307-A317 WeakPolarHBondContact O-CA 3.43Å; V308-A317 HydrophobicContact CG1-CB 4.31Å
318A63.6Low56.8Low23 Ų2357.4 Ų57.419%0.1939%0.389CS..EExtended strand (participates in β ladder)trans-123.5135.5168.200000108.7W307 I325W307-A318 HydrophobicContact CB-CB 4.3Å; W307-A318 PolarHBondContact N-O 2.83Å; W307-A318 PolarHBondContact O-N 3.03Å; A318-I325 HydrophobicContact CB-CD1 4.46Å; A318-I325 HydrophobicContact CB-CG2 4.2Å
319F68.7Low56.6Low72 Ų7254.6 Ų54.632%0.31637%0.374SS..EExtended strand (participates in β ladder)trans-98.3128.9177.7-71.7-92.8000109.4W297 V306 I325 V326W297-F319 HydrophobicContact CD2-CD2 4.41Å; W297-F319 HydrophobicContact CE3-CB 4.47Å; W297-F319 HydrophobicContact CE3-CD2 4.22Å; W297-F319 HydrophobicContact CZ3-CD2 4.32Å; V306-F319 HydrophobicContact CG2-CD1 3.7Å; V306-F319 HydrophobicContact CG2-CE1 3.47Å; V306-F319 VanDerWaalsContact CG2-CE1 3.47Å; V306-F319 HydrophobicContact CG2-CZ 4.28Å; F319-I325 CarbonylContact O-C 3.47Å; F319-I325 WeakPolarHBondContact O-CA 3.22Å; F319-V326 HydrophobicContact CB-CB 4.4Å; F319-V326 HydrophobicContact CB-CG2 4.28Å; F319-V326 PolarHBondContact O-N 2.81Å
320E74.1Confident56.3Low51 Ų5160 Ų6024%0.23842%0.421CS..EExtended strand (participates in β ladder)trans-109.3125.6172-170.1-172157.100110.1A304 T305 W307 G323 S324 I325A304-E320 CarbonylContact C-O 3.59Å; A304-E320 WeakPolarHBondContact CA-O 3.45Å; T305-E320 PolarHBondContact N-O 2.61Å; T305-E320 PolarHBondContact O-N 3.45Å; W307-E320 VanDerWaalsContact CE2-OE2 3.27Å; W307-E320 VanDerWaalsContact CZ2-OE2 3.25Å; W307-E320 WeakPolarHBondContact CZ2-OE2 3.45Å; W307-E320 PolarHBondContact NE1-OE2 3.1Å; E320-G323 WeakPolarHBondContact OE1-CA 3.5Å; E320-S324 CarbonylContact C-O 3.54Å; E320-S324 WeakPolarHBondContact CA-O 3.48Å; E320-I325 HydrophobicContact CB-CD1 3.73Å; E320-I325 HydrophobicContact CG-CD1 4.1Å
321V74.9Confident57.2Low16 Ų1658 Ų5810%0.09740%0.4CS..EExtended strand (participates in β ladder)trans-131.1123.1177.1-174.60000108.4V299 S300 A304 G323 S324 V326V299-V321 HydrophobicContact CB-CB 4.19Å; V299-V321 HydrophobicContact CB-CG1 4.01Å; V299-V321 HydrophobicContact CB-CG2 3.85Å; V299-V321 HydrophobicContact CG1-CG2 4.04Å; V299-V321 HydrophobicContact CG2-CB 4.49Å; V299-V321 HydrophobicContact CG2-CG1 4.19Å; V299-V321 HydrophobicContact CG2-CG2 3.78Å; S300-V321 WeakPolarHBondContact O-CG1 3.42Å; A304-V321 HydrophobicContact CB-CG2 3.8Å; V321-G323 VanDerWaalsContact C-N 3.26Å; V321-G323 PolarHBondContact O-N 3.34Å; V321-S324 PolarHBondContact N-O 3.26Å; V321-S324 PolarHBondContact O-N 3.02Å; V321-S324 VanDerWaalsContact O-O 3.07Å; V321-V326 HydrophobicContact CB-CG2 4.3Å; V321-V326 HydrophobicContact CG2-CG2 3.84Å
322G78.8Confident57.8Low79 Ų7958.8 Ų58.881%0.81441%0.406SS*.THydrogen-bonded Turntrans58.633.9-179.600000114.2S324G322-S324 PolarHBondContact O-N 2.8Å
323G75.7Confident59.1Low54 Ų5455.2 Ų55.256%0.55738%0.38SS*.THydrogen-bonded Turntrans77.13-177.200000114.7E320 V321E320-G323 WeakPolarHBondContact OE1-CA 3.5Å; V321-G323 VanDerWaalsContact C-N 3.26Å; V321-G323 PolarHBondContact O-N 3.34Å
324S63.9Low60.5Low81 Ų8153.1 Ų53.157%0.56637%0.374SS*.EExtended strand (participates in β ladder)trans-113.2127.9177.1-59.90000109.2E320 V321 G322E320-S324 CarbonylContact C-O 3.54Å; E320-S324 WeakPolarHBondContact CA-O 3.48Å; V321-S324 PolarHBondContact N-O 3.26Å; V321-S324 PolarHBondContact O-N 3.02Å; V321-S324 VanDerWaalsContact O-O 3.07Å; G322-S324 PolarHBondContact O-N 2.8Å
325I67.9Low61.7Low44 Ų4452.5 Ų52.523%0.22637%0.365CS..EExtended strand (participates in β ladder)trans-75.8137.4171.4-57.6-76.2000108.6Y134 A318 F319 E320Y134-I325 HydrophobicContact CE1-CG2 4.47Å; Y134-I325 WeakPolarHBondContact OH-CB 3.37Å; Y134-I325 WeakPolarHBondContact OH-CG1 3.38Å; Y134-I325 WeakPolarHBondContact OH-CG2 3.45Å; A318-I325 HydrophobicContact CB-CD1 4.46Å; A318-I325 HydrophobicContact CB-CG2 4.2Å; F319-I325 CarbonylContact O-C 3.47Å; F319-I325 WeakPolarHBondContact O-CA 3.22Å; E320-I325 HydrophobicContact CB-CD1 3.73Å; E320-I325 HydrophobicContact CG-CD1 4.1Å
326V65.1Low62.7Low27 Ų2753.4 Ų53.416%0.16437%0.374CS..EExtended strand (participates in β ladder)trans-84.7125.2178.2-164.80000107.2W297 V299 F319 V321W297-V326 HydrophobicContact CD2-CG1 4.44Å; W297-V326 HydrophobicContact CE3-CB 3.54Å; W297-V326 HydrophobicContact CE3-CG1 3.27Å; W297-V326 HydrophobicContact CE3-CG2 4.47Å; W297-V326 HydrophobicContact CZ3-CB 3.56Å; W297-V326 HydrophobicContact CZ3-CG1 3.53Å; W297-V326 WeakPolarHBondContact CZ3-O 3.25Å; V299-V326 HydrophobicContact CG1-CB 4.38Å; V299-V326 HydrophobicContact CG1-CG1 3.93Å; V299-V326 HydrophobicContact CG1-CG2 3.54Å; F319-V326 HydrophobicContact CB-CB 4.4Å; F319-V326 HydrophobicContact CB-CG2 4.28Å; F319-V326 PolarHBondContact O-N 2.81Å; V321-V326 HydrophobicContact CB-CG2 4.3Å; V321-V326 HydrophobicContact CG2-CG2 3.84Å
327E54.4Low64Low71 Ų7156.7 Ų56.733%0.33240%0.396SS..  trans-98.9-20.1-172.3-62.8-170.4156.500112.7Y134 V245Y134-E327 WeakPolarHBondContact CD1-OE1 3.38Å; Y134-E327 HydrophobicContact CE1-CG 4.04Å; Y134-E327 WeakPolarHBondContact CE1-OE1 3.2Å; V245-E327 CarbonylContact C-O 3.51Å; V245-E327 WeakPolarHBondContact CA-O 3.26Å; V245-E327 WeakPolarHBondContact CB-O 3Å
328D56.3Low64.6Low79 Ų7957.5 Ų57.542%0.42240%0.398SS..SBendtrans-148.6148.9179-68.4-59.6000109.5
329A50.8Low64.6Low24 Ų2460.4 Ų60.420%0.19842%0.415CS..  trans-68.1144.8161.500000109.6R294 W297R294-A329 WeakPolarHBondContact O-CB 3.43Å; W297-A329 HydrophobicContact CD2-CB 4.47Å; W297-A329 HydrophobicContact CZ2-CB 4.35Å
330A45.1Very low64.3Low127 Ų12759.4 Ų59.4100%1.0542%0.424SS*.  trans-74.60175.300000111.9T296 D298T296-A330 PolarHBondContact O-N 3.38Å; D298-A330 HydrophobicContact CB-CB 4.46Å

Retrieved 330 of 330 residues in 167.3 ms (Link to these results)

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