A0A096M493_POEFO Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A096M493, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,231 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M27.7Very low34.9Very low243 Ų243169.5 Ų169.5100%1.19784%0.841SS**  0159.40-76.3-177.7174.100109.9
2P38.2Very low34.6Very low106 Ų106166 Ų16669%0.68884%0.836SS**  trans-115.1158.3-172.940.2-31000115.1
3L34.1Very low34.6Very low154 Ų154170.4 Ų170.481%0.80684%0.837SS**  trans62.2176.3146.3-70.4169.9000117.6
4P41.3Very low34.3Very low97 Ų97174.9 Ų174.963%0.6384%0.84SS**  cis-114.9-178.2-7.242.9-30.3000112.5
5F37.8Very low34Very low181 Ų181177.3 Ų177.379%0.79484%0.839SS**  cis-128.5155.63.3-80.8-88.2000110.8
6G36.1Very low34Very low68 Ų68173 Ų17370%0.70183%0.828SS**  trans-114.4126.4170.100000112.5
7F34.4Very low34.1Very low189 Ų189170.9 Ų170.983%0.82983%0.829SS**  trans-117.9116.4166.5-86.3-79.1000110.9L9F7-L9 PolarHBondContact O-N 2.71Å
8K33.4Very low34.6Very low209 Ų209165.8 Ų165.891%0.90981%0.814SS**  trans-76.589.7178.3-66.7177.9-179.7175.50110.2K10K8-K10 PolarHBondContact O-N 2.76Å
9L34.5Very low35.3Very low176 Ų176159.6 Ų159.692%0.92179%0.788SS**  trans-61.3121.2165-83.9166.7000109.1F7F7-L9 PolarHBondContact O-N 2.71Å
10K33.5Very low36.4Very low196 Ų196161.6 Ų161.685%0.85279%0.792SS**  trans-66145.4-175.2-66.7174.2180173.20109.9K8 T12K8-K10 PolarHBondContact O-N 2.76Å; K10-T12 PolarHBondContact O-N 2.62Å; K10-T12 VanDerWaalsContact O-N 3.11Å
11R32.5Very low38Very low245 Ų245157.2 Ų157.293%0.92578%0.777SS**  trans-39.9120166.5-88.7178.6165.9163.5-5.7109.6R13R11-R13 PolarHBondContact O-N 2.65Å
12T31.8Very low40.5Very low128 Ų128147.6 Ų147.679%0.78573%0.734SS**  trans-60105.6168.8-18.90000107.4K10K10-T12 PolarHBondContact O-N 2.62Å; K10-T12 VanDerWaalsContact O-N 3.11Å
13R34.6Very low42.6Very low223 Ų223143.4 Ų143.484%0.84271%0.705SS**  trans-60.2144.4172.7-76.1-178168.8-175.9-5.2107.8R11 Y15R11-R13 PolarHBondContact O-N 2.65Å; R13-Y15 PolarHBondContact O-N 2.68Å; R13-Y15 VanDerWaalsContact O-N 3.15Å
14R30.9Very low45.1Very low234 Ų234139.9 Ų139.988%0.88369%0.69SS**  trans-52.7123.5165.6-69.1176.3175.5168.4-4.6107.4T16R14-T16 PolarHBondContact O-N 3.44Å
15Y29.9Very low47.3Very low210 Ų210135.3 Ų135.382%0.82466%0.66SS**  trans-75.776.8166.3-74.5-90.7000108R13 V17R13-Y15 PolarHBondContact O-N 2.68Å; R13-Y15 VanDerWaalsContact O-N 3.15Å; Y15-V17 PolarHBondContact O-N 2.69Å
16T32.8Very low49.9Very low109 Ų109131.7 Ų131.767%0.66964%0.642SS**  trans-58.6123.8153.439.10000106.6R14 S18R14-T16 PolarHBondContact O-N 3.44Å; T16-S18 PolarHBondContact O-N 3.28Å
17V36.5Very low52.7Low138 Ų138128.5 Ų128.584%0.83661%0.608SS**  trans-78.948.7173.6-164.60000109.7Y15 S19Y15-V17 PolarHBondContact O-N 2.69Å; V17-S19 PolarHBondContact O-N 3.06Å
18S43Very low55.7Low79 Ų79121.3 Ų121.355%0.55258%0.577SS**  trans-70.485.3144.9177.30000105.8T16 K20T16-S18 PolarHBondContact O-N 3.28Å; S18-K20 PolarHBondContact O-N 3.25Å
19S47.1Very low58.7Low47 Ų47112 Ų11233%0.32954%0.537SS..  trans-49.6133.2151.447.60000106.9V17 S21 C22V17-S19 PolarHBondContact O-N 3.06Å; S19-S21 PolarHBondContact O-N 3.05Å; S19-C22 PolarHBondContact O-N 2.99Å; S19-C22 WeakPolarHBondContact OG-CB 3.48Å; S19-C22 PolarHBondContact OG-SG 2.95Å
20K58Low61.5Low199 Ų199104.4 Ų104.487%0.86550%0.498SS*.THydrogen-bonded Turntrans-63.2-7.8-176.4-65.3-178.8-179.2176.90113.3S18 V41S18-K20 PolarHBondContact O-N 3.25Å; K20-V41 WeakPolarHBondContact O-CG2 3.49Å
21S70Confident64.2Low70 Ų7098.1 Ų98.149%0.4947%0.474SS..THydrogen-bonded Turntrans-97.1-5.3178.154.50000114.5S19 S40 V41S19-S21 PolarHBondContact O-N 3.05Å; S21-S40 CarbonylContact O-C 3.58Å; S21-S40 WeakPolarHBondContact O-CA 3.46Å; S21-V41 VanDerWaalsContact C-CG2 3.45Å; S21-V41 PolarHBondContact O-N 2.91Å
22C79.3Confident66.9Low42 Ų4288 Ų8828%0.28445%0.446SS..EExtended strand (participates in β ladder)trans-112.4146.8179.3-67.70000113.3S19 T38 L39 V41S19-C22 PolarHBondContact O-N 2.99Å; S19-C22 WeakPolarHBondContact OG-CB 3.48Å; S19-C22 PolarHBondContact OG-SG 2.95Å; C22-T38 HydrophobicContact CB-CG2 4.38Å; C22-L39 WeakPolarHBondContact CA-O 3.39Å; C22-V41 WeakPolarHBondContact O-CG2 3.12Å
23L83.6Confident69.8Low17 Ų1787.3 Ų87.39%0.08943%0.433CS..EExtended strand (participates in β ladder)trans-120121.3174.3171.872.1000107.2T25 T38 L39 L84 K85L23-T25 VanDerWaalsContact CD2-OG1 3.26Å; L23-T25 WeakPolarHBondContact CD2-OG1 3.47Å; L23-T25 WeakPolarHBondContact CG-OG1 3.38Å; L23-T38 CarbonylContact O-C 3.59Å; L23-T38 WeakPolarHBondContact O-CA 3.47Å; L23-L39 PolarHBondContact N-O 3.49Å; L23-L39 PolarHBondContact O-N 3.42Å; L23-L84 HydrophobicContact CD2-CB 4.19Å; L23-L84 HydrophobicContact CD2-CD2 3.9Å; L23-L84 HydrophobicContact CD2-CG 3.98Å; L23-K85 HydrophobicContact CD1-CB 4.12Å; L23-K85 HydrophobicContact CD1-CD 4.09Å; L23-K85 HydrophobicContact CD1-CG 4.12Å; L23-K85 HydrophobicContact CD2-CB 4.02Å
24V86.8Confident72.6Confident81 Ų8180.8 Ų80.849%0.49141%0.411SS..EExtended strand (participates in β ladder)trans-94.2119.9163.5-176.10000106.6E36 F37 T38V24-E36 HydrophobicContact CG1-CB 4.35Å; V24-F37 WeakPolarHBondContact CA-O 3.43Å; V24-T38 HydrophobicContact CG2-CG2 4.47Å
25T87Confident75.5Confident0 Ų071 Ų710%038%0.377CS..EExtended strand (participates in β ladder)trans-116.9127.4176.2-67.10000109L23 I27 E36 F37 L84 V97L23-T25 VanDerWaalsContact CD2-OG1 3.26Å; L23-T25 WeakPolarHBondContact CD2-OG1 3.47Å; L23-T25 WeakPolarHBondContact CG-OG1 3.38Å; T25-I27 HydrophobicContact CG2-CG1 3.85Å; T25-E36 WeakPolarHBondContact O-CA 3.48Å; T25-F37 PolarHBondContact N-O 3.05Å; T25-F37 PolarHBondContact O-N 2.99Å; T25-L84 HydrophobicContact CG2-CD2 4.3Å; T25-V97 HydrophobicContact CG2-CB 3.86Å; T25-V97 HydrophobicContact CG2-CG2 3.6Å
26R92.8Very high78.4Confident106 Ų10667.3 Ų67.340%0.437%0.368SS..EExtended strand (participates in β ladder)trans-88.3120170.9-178.7177.3174-149-2.6108.3F34 E36 V97R26-F34 HydrophobicContact CG-CB 4.15Å; R26-F34 HydrophobicContact CG-CD1 3.81Å; R26-F34 HydrophobicContact CG-CG 4.38Å; R26-F34 VanDerWaalsContact NH2-CG 3.27Å; R26-E36 HydrophobicContact CB-CG 4.25Å; R26-E36 HydrophobicContact CG-CG 4.34Å; R26-V97 PolarHBondContact O-N 2.63Å
27I95.2Very high81Confident0 Ų063.5 Ų63.50%034%0.342CS..EExtended strand (participates in β ladder)trans-112.7124.4-177.3-52.6-178000108.6T25 F34 V35 F37 C48 V52 L66 V97 F99T25-I27 HydrophobicContact CG2-CG1 3.85Å; I27-F34 CarbonylContact O-C 3.54Å; I27-F34 WeakPolarHBondContact O-CA 3.44Å; I27-V35 PolarHBondContact N-O 3.16Å; I27-V35 PolarHBondContact O-N 3.28Å; I27-F37 HydrophobicContact CD1-CD2 3.48Å; I27-F37 VanDerWaalsContact CD1-CD2 3.48Å; I27-F37 HydrophobicContact CD1-CE2 3.92Å; I27-F37 HydrophobicContact CD1-CG 4.29Å; I27-F37 HydrophobicContact CG1-CD2 4.04Å; I27-C48 WeakPolarHBondContact CD1-SG 3.29Å; I27-V52 HydrophobicContact CD1-CG2 3.45Å; I27-V52 VanDerWaalsContact CD1-CG2 3.45Å; I27-V52 HydrophobicContact CG2-CG2 4.17Å; I27-L66 HydrophobicContact CG2-CD2 4.34Å; I27-V97 CarbonylContact C-O 3.51Å; I27-V97 VanDerWaalsContact CA-O 3.25Å; I27-V97 WeakPolarHBondContact CA-O 3.48Å; I27-V97 HydrophobicContact CG1-CB 4.28Å; I27-V97 HydrophobicContact CG1-CG1 4.43Å; I27-V97 HydrophobicContact CG2-CG1 4.42Å; I27-F99 HydrophobicContact CG2-CB 4.47Å
28Q96.4Very high83.5Confident39 Ų3961.8 Ų61.818%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-82.3133.4168-154.8-1801700110.4G32 E33 F34 V97 Y98 F99Q28-G32 WeakPolarHBondContact CG-O 3.34Å; Q28-G32 PolarHBondContact NE2-O 3.44Å; Q28-E33 CarbonylContact C-O 3.59Å; Q28-E33 VanDerWaalsContact CA-O 3.3Å; Q28-E33 WeakPolarHBondContact CA-O 3.47Å; Q28-E33 VanDerWaalsContact CG-O 3.31Å; Q28-E33 WeakPolarHBondContact CG-O 3.5Å; Q28-F34 HydrophobicContact CB-CD1 3.73Å; Q28-F34 HydrophobicContact CB-CE1 3.53Å; Q28-F34 HydrophobicContact CB-CZ 4.14Å; Q28-F34 VanDerWaalsContact CD-CZ 3.45Å; Q28-F34 HydrophobicContact CG-CD1 3.84Å; Q28-F34 HydrophobicContact CG-CD2 4.28Å; Q28-F34 HydrophobicContact CG-CE1 3.57Å; Q28-F34 HydrophobicContact CG-CE2 4Å; Q28-F34 HydrophobicContact CG-CG 4.22Å; Q28-F34 HydrophobicContact CG-CZ 3.66Å; Q28-V97 PolarHBondContact N-O 3.3Å; Q28-Y98 HydrophobicContact CB-CD1 3.74Å; Q28-Y98 HydrophobicContact CB-CE1 4.21Å; Q28-Y98 VanDerWaalsContact OE1-CE1 3.29Å; Q28-F99 WeakPolarHBondContact O-CB 3.49Å; Q28-F99 PolarHBondContact O-N 3.31Å
29L95.9Very high85.7Confident13 Ų1359.1 Ų59.17%0.06831%0.311CS..  trans-90.1169.1173.8-60.6-177.4000111N31 G32 E33 V35 V52 L56 F99L29-N31 VanDerWaalsContact C-N 3.3Å; L29-N31 VanDerWaalsContact CB-OD1 3.22Å; L29-N31 WeakPolarHBondContact CB-OD1 3.49Å; L29-N31 PolarHBondContact O-N 3.35Å; L29-G32 PolarHBondContact O-N 3.38Å; L29-E33 PolarHBondContact N-O 3.16Å; L29-V35 HydrophobicContact CD1-CG2 3.67Å; L29-V35 HydrophobicContact CG-CG2 4.15Å; L29-V52 HydrophobicContact CD2-CG1 3.95Å; L29-L56 HydrophobicContact CD1-CD2 4.19Å; L29-L56 HydrophobicContact CD2-CD1 4.32Å; L29-F99 HydrophobicContact CD2-CB 4.41Å
30L94.3Very high87.7Confident16 Ų1659 Ų598%0.08431%0.311CS..THydrogen-bonded Turntrans-73.7-19-176.4-72.9166.7000114G32 F99 Q119 L122 Q123L30-G32 PolarHBondContact O-N 3.28Å; L30-F99 HydrophobicContact CD1-CD1 3.81Å; L30-F99 HydrophobicContact CD1-CE1 3.96Å; L30-F99 HydrophobicContact CG-CD1 3.96Å; L30-Q119 HydrophobicContact CD1-CB 4.3Å; L30-Q119 WeakPolarHBondContact CD1-O 3.35Å; L30-L122 HydrophobicContact CB-CB 3.86Å; L30-L122 HydrophobicContact CB-CD1 4.26Å; L30-Q123 HydrophobicContact CD1-CB 4.13Å; L30-Q123 HydrophobicContact CD2-CB 4.13Å
31N90Very high89.1Confident65 Ų6551 Ų5135%0.34828%0.278SS..THydrogen-bonded Turntrans-78.93.6167.565.6-10.4000112.9L29 E33 L122L29-N31 VanDerWaalsContact C-N 3.3Å; L29-N31 VanDerWaalsContact CB-OD1 3.22Å; L29-N31 WeakPolarHBondContact CB-OD1 3.49Å; L29-N31 PolarHBondContact O-N 3.35Å; N31-E33 VanDerWaalsContact C-N 3.31Å; N31-E33 VanDerWaalsContact ND2-CD 3.27Å; N31-E33 WeakPolarHBondContact ND2-CG 3.29Å; N31-E33 PolarHBondContact ND2-OE2 3.49Å; N31-E33 PolarHBondContact O-N 2.89Å; N31-E33 WeakPolarHBondContact OD1-CB 3.34Å; N31-E33 PolarHBondContact OD1-N 2.85Å; N31-L122 HydrophobicContact CB-CD1 4.03Å
32G89.6Confident90Very high33 Ų3354.7 Ų54.734%0.3429%0.287SS..SBendtrans86.5-11.8179.700000115.2Q28 L29 L30Q28-G32 WeakPolarHBondContact CG-O 3.34Å; Q28-G32 PolarHBondContact NE2-O 3.44Å; L29-G32 PolarHBondContact O-N 3.38Å; L30-G32 PolarHBondContact O-N 3.28Å
33E92.2Very high90.6Very high112 Ų11253.1 Ų53.152%0.52328%0.277SS..  trans-64.3160.6176.9-66.4-173.7128.400112.5Q28 L29 N31Q28-E33 CarbonylContact C-O 3.59Å; Q28-E33 VanDerWaalsContact CA-O 3.3Å; Q28-E33 WeakPolarHBondContact CA-O 3.47Å; Q28-E33 VanDerWaalsContact CG-O 3.31Å; Q28-E33 WeakPolarHBondContact CG-O 3.5Å; L29-E33 PolarHBondContact N-O 3.16Å; N31-E33 VanDerWaalsContact C-N 3.31Å; N31-E33 VanDerWaalsContact ND2-CD 3.27Å; N31-E33 WeakPolarHBondContact ND2-CG 3.29Å; N31-E33 PolarHBondContact ND2-OE2 3.49Å; N31-E33 PolarHBondContact O-N 2.89Å; N31-E33 WeakPolarHBondContact OD1-CB 3.34Å; N31-E33 PolarHBondContact OD1-N 2.85Å
34F92.8Very high91.2Very high87 Ų8753.9 Ų53.938%0.38228%0.283SS..EExtended strand (participates in β ladder)trans-119.9128.8174.9-67.4-92.2000111.4R26 I27 Q28 T96R26-F34 HydrophobicContact CG-CB 4.15Å; R26-F34 HydrophobicContact CG-CD1 3.81Å; R26-F34 HydrophobicContact CG-CG 4.38Å; R26-F34 VanDerWaalsContact NH2-CG 3.27Å; I27-F34 CarbonylContact O-C 3.54Å; I27-F34 WeakPolarHBondContact O-CA 3.44Å; Q28-F34 HydrophobicContact CB-CD1 3.73Å; Q28-F34 HydrophobicContact CB-CE1 3.53Å; Q28-F34 HydrophobicContact CB-CZ 4.14Å; Q28-F34 VanDerWaalsContact CD-CZ 3.45Å; Q28-F34 HydrophobicContact CG-CD1 3.84Å; Q28-F34 HydrophobicContact CG-CD2 4.28Å; Q28-F34 HydrophobicContact CG-CE1 3.57Å; Q28-F34 HydrophobicContact CG-CE2 4Å; Q28-F34 HydrophobicContact CG-CG 4.22Å; Q28-F34 HydrophobicContact CG-CZ 3.66Å; F34-T96 HydrophobicContact CE1-CG2 4.22Å
35V91.6Very high91.5Very high28 Ų2850 Ų5017%0.1726%0.259CS..EExtended strand (participates in β ladder)trans-116.7133.5174.6-176.40000109.3I27 L29 F37I27-V35 PolarHBondContact N-O 3.16Å; I27-V35 PolarHBondContact O-N 3.28Å; L29-V35 HydrophobicContact CD1-CG2 3.67Å; L29-V35 HydrophobicContact CG-CG2 4.15Å; V35-F37 HydrophobicContact CB-CD2 4.42Å; V35-F37 HydrophobicContact CB-CE2 3.81Å; V35-F37 HydrophobicContact CG1-CD2 3.96Å; V35-F37 HydrophobicContact CG1-CE2 3.39Å; V35-F37 HydrophobicContact CG1-CZ 3.76Å
36E91.4Very high91.9Very high132 Ų13252.7 Ų52.762%0.61727%0.272SS*.EExtended strand (participates in β ladder)trans-97125175-61.7-158.915100111.4V24 T25 R26V24-E36 HydrophobicContact CG1-CB 4.35Å; T25-E36 WeakPolarHBondContact O-CA 3.48Å; R26-E36 HydrophobicContact CB-CG 4.25Å; R26-E36 HydrophobicContact CG-CG 4.34Å
37F87.9Confident92Very high30 Ų3051.5 Ų51.513%0.13227%0.27CS..EExtended strand (participates in β ladder)trans-110.2129.5175.4-70.1-93.3000110.5V24 T25 I27 V35 L39 A51 V52 R55V24-F37 WeakPolarHBondContact CA-O 3.43Å; T25-F37 PolarHBondContact N-O 3.05Å; T25-F37 PolarHBondContact O-N 2.99Å; I27-F37 HydrophobicContact CD1-CD2 3.48Å; I27-F37 VanDerWaalsContact CD1-CD2 3.48Å; I27-F37 HydrophobicContact CD1-CE2 3.92Å; I27-F37 HydrophobicContact CD1-CG 4.29Å; I27-F37 HydrophobicContact CG1-CD2 4.04Å; V35-F37 HydrophobicContact CB-CD2 4.42Å; V35-F37 HydrophobicContact CB-CE2 3.81Å; V35-F37 HydrophobicContact CG1-CD2 3.96Å; V35-F37 HydrophobicContact CG1-CE2 3.39Å; V35-F37 HydrophobicContact CG1-CZ 3.76Å; F37-L39 HydrophobicContact CB-CD2 4.45Å; F37-L39 HydrophobicContact CB-CG 4.21Å; F37-A51 HydrophobicContact CD1-CB 3.76Å; F37-A51 HydrophobicContact CE1-CB 3.75Å; F37-A51 WeakPolarHBondContact CE1-O 3.37Å; F37-V52 HydrophobicContact CD2-CG2 4.39Å; F37-V52 HydrophobicContact CE2-CG2 3.72Å; F37-V52 HydrophobicContact CZ-CG2 3.97Å; F37-R55 HydrophobicContact CE1-CB 4.36Å; F37-R55 HydrophobicContact CZ-CB 3.92Å; F37-R55 HydrophobicContact CZ-CG 4.25Å
38T88.9Confident92Very high102 Ų10251.5 Ų51.563%0.62627%0.27SS*.EExtended strand (participates in β ladder)trans-95.2102171-60.30000109.4C22 L23 V24C22-T38 HydrophobicContact CB-CG2 4.38Å; L23-T38 CarbonylContact O-C 3.59Å; L23-T38 WeakPolarHBondContact O-CA 3.47Å; V24-T38 HydrophobicContact CG2-CG2 4.47Å
39L88.4Confident92Very high23 Ų2349.8 Ų49.812%0.1226%0.263CS..EExtended strand (participates in β ladder)trans-106.6172.9-177.3-60.5175.5000111.5C22 L23 F37 C48 L84C22-L39 WeakPolarHBondContact CA-O 3.39Å; L23-L39 PolarHBondContact N-O 3.49Å; L23-L39 PolarHBondContact O-N 3.42Å; F37-L39 HydrophobicContact CB-CD2 4.45Å; F37-L39 HydrophobicContact CB-CG 4.21Å; L39-C48 HydrophobicContact CD1-CB 3.66Å; L39-C48 VanDerWaalsContact CD1-SG 3.56Å; L39-L84 HydrophobicContact CD1-CD2 4.09Å
40S88.9Confident91.9Very high45 Ų4553.5 Ų53.532%0.31528%0.28SS..EExtended strand (participates in β ladder)trans-72.3151.5166-177.40000110.5S21 E42 S43S21-S40 CarbonylContact O-C 3.58Å; S21-S40 WeakPolarHBondContact O-CA 3.46Å; S40-E42 PolarHBondContact O-N 3.12Å; S40-E42 PolarHBondContact OG-N 3.4Å; S40-E42 VanDerWaalsContact OG-N 3.13Å; S40-S43 VanDerWaalsContact CB-OG 3.3Å; S40-S43 WeakPolarHBondContact CB-OG 3.22Å; S40-S43 PolarHBondContact N-OG 3.35Å; S40-S43 WeakPolarHBondContact O-CB 3.37Å; S40-S43 PolarHBondContact O-N 3.06Å; S40-S43 VanDerWaalsContact O-N 3.12Å
41V87.8Confident91.8Very high29 Ų2953.8 Ų53.818%0.17628%0.284CS..THydrogen-bonded Turntrans-61-22.7166159.80000112K20 S21 C22 K85K20-V41 WeakPolarHBondContact O-CG2 3.49Å; S21-V41 VanDerWaalsContact C-CG2 3.45Å; S21-V41 PolarHBondContact O-N 2.91Å; C22-V41 WeakPolarHBondContact O-CG2 3.12Å; V41-K85 HydrophobicContact CB-CD 4.35Å; V41-K85 HydrophobicContact CG1-CD 4.1Å; V41-K85 HydrophobicContact CG2-CD 3.73Å
42E89.5Confident92.1Very high148 Ų14850.7 Ų50.769%0.69227%0.268SS*.THydrogen-bonded Turntrans-92-14.4176.8-55.8-167.4143.300113S40 T44 A83S40-E42 PolarHBondContact O-N 3.12Å; S40-E42 PolarHBondContact OG-N 3.4Å; S40-E42 VanDerWaalsContact OG-N 3.13Å; E42-T44 PolarHBondContact O-N 2.8Å; E42-A83 WeakPolarHBondContact O-CB 3.3Å
43S92.3Very high92.3Very high9 Ų949.1 Ų49.16%0.06325%0.252CS..  trans-59.1132.9-176.3-76.30000112.2S40 E47 A83 L84S40-S43 VanDerWaalsContact CB-OG 3.3Å; S40-S43 WeakPolarHBondContact CB-OG 3.22Å; S40-S43 PolarHBondContact N-OG 3.35Å; S40-S43 WeakPolarHBondContact O-CB 3.37Å; S40-S43 PolarHBondContact O-N 3.06Å; S40-S43 VanDerWaalsContact O-N 3.12Å; S43-E47 VanDerWaalsContact CA-OE2 3.24Å; S43-E47 WeakPolarHBondContact CA-OE2 3.47Å; S43-E47 WeakPolarHBondContact CB-OE2 3.39Å; S43-E47 PolarHBondContact OG-OE2 3.22Å; S43-A83 CarbonylContact O-C 3.43Å; S43-A83 VanDerWaalsContact O-CA 3.28Å; S43-A83 WeakPolarHBondContact O-CA 3.28Å; S43-L84 PolarHBondContact O-N 2.98Å
44T95.6Very high92.3Very high34 Ų3451.6 Ų51.621%0.20926%0.263CS..BIsolated β-bridgetrans-71.2162.9178.959.10000112.4E42 Q46 E47 C48 L80E42-T44 PolarHBondContact O-N 2.8Å; T44-Q46 PolarHBondContact O-N 2.84Å; T44-E47 WeakPolarHBondContact CB-OE1 3.49Å; T44-E47 WeakPolarHBondContact CG2-OE1 3.34Å; T44-E47 PolarHBondContact N-OE1 3.3Å; T44-E47 PolarHBondContact O-N 3.01Å; T44-E47 WeakPolarHBondContact OG1-CG 2.99Å; T44-E47 PolarHBondContact OG1-N 3.38Å; T44-E47 PolarHBondContact OG1-OE1 3.46Å; T44-C48 PolarHBondContact O-N 2.74Å; T44-L80 WeakPolarHBondContact CB-O 3.23Å
45G94.2Very high92.3Very high0 Ų054.7 Ų54.70%027%0.272CS..Hα-helixtrans-62-28.4169.300000112.4C48 L49 L80 K82G45-C48 WeakPolarHBondContact O-CB 3.22Å; G45-C48 PolarHBondContact O-N 2.97Å; G45-L49 WeakPolarHBondContact O-CB 3.42Å; G45-L49 PolarHBondContact O-N 3.26Å; G45-L80 CarbonylContact C-O 3.58Å; G45-L80 PolarHBondContact N-O 3.17Å; G45-L80 VanDerWaalsContact N-O 3.09Å; G45-K82 PolarHBondContact N-O 3.26Å; G45-K82 VanDerWaalsContact N-O 3.17Å
46Q95.1Very high92.3Very high56 Ų5654.7 Ų54.726%0.26227%0.271SS..Hα-helixtrans-64.5-50.4174.6-175.662.427.800111.9T44 C48 L49 E50 L80T44-Q46 PolarHBondContact O-N 2.84Å; Q46-C48 PolarHBondContact O-N 3.27Å; Q46-L49 PolarHBondContact O-N 3.16Å; Q46-L49 VanDerWaalsContact O-N 3.1Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.26Å; Q46-E50 PolarHBondContact NE2-OE1 2.68Å; Q46-E50 WeakPolarHBondContact O-CB 3.47Å; Q46-E50 WeakPolarHBondContact O-CG 3.39Å; Q46-E50 PolarHBondContact O-N 3.08Å; Q46-L80 HydrophobicContact CB-CB 4.23Å; Q46-L80 WeakPolarHBondContact CB-O 3.43Å; Q46-L80 PolarHBondContact N-O 3.39Å
47E94.1Very high92.4Very high80 Ų8054.6 Ų54.637%0.37427%0.271SS..Hα-helixtrans-57.5-37174.5-72.9156.5-107.300112S43 T44 A51S43-E47 VanDerWaalsContact CA-OE2 3.24Å; S43-E47 WeakPolarHBondContact CA-OE2 3.47Å; S43-E47 WeakPolarHBondContact CB-OE2 3.39Å; S43-E47 PolarHBondContact OG-OE2 3.22Å; T44-E47 WeakPolarHBondContact CB-OE1 3.49Å; T44-E47 WeakPolarHBondContact CG2-OE1 3.34Å; T44-E47 PolarHBondContact N-OE1 3.3Å; T44-E47 PolarHBondContact O-N 3.01Å; T44-E47 WeakPolarHBondContact OG1-CG 2.99Å; T44-E47 PolarHBondContact OG1-N 3.38Å; T44-E47 PolarHBondContact OG1-OE1 3.46Å; E47-A51 WeakPolarHBondContact O-CB 3.32Å; E47-A51 PolarHBondContact O-N 3.45Å
48C94.7Very high92.6Very high0 Ų053.6 Ų53.60%027%0.267CS..Hα-helixtrans-67.1-42.4176.2-169.50000112.1I27 L39 T44 G45 Q46 A51 V52 L66 L84I27-C48 WeakPolarHBondContact CD1-SG 3.29Å; L39-C48 HydrophobicContact CD1-CB 3.66Å; L39-C48 VanDerWaalsContact CD1-SG 3.56Å; T44-C48 PolarHBondContact O-N 2.74Å; G45-C48 WeakPolarHBondContact O-CB 3.22Å; G45-C48 PolarHBondContact O-N 2.97Å; Q46-C48 PolarHBondContact O-N 3.27Å; C48-A51 PolarHBondContact O-N 3.24Å; C48-V52 WeakPolarHBondContact O-CG2 3.5Å; C48-V52 PolarHBondContact O-N 3.03Å; C48-V52 VanDerWaalsContact O-N 3.12Å; C48-L66 HydrophobicContact CB-CD1 3.71Å; C48-L66 WeakPolarHBondContact SG-CD1 3.47Å; C48-L84 HydrophobicContact CB-CD2 3.92Å; C48-L84 VanDerWaalsContact SG-CD2 3.58Å
49L95.9Very high92.7Very high3 Ų358.9 Ų58.92%0.01628%0.275CS..Hα-helixtrans-67.3-39.8176.7178.963.5000111.5G45 Q46 V52 A53 I61 F64 L66 L80 F99G45-L49 WeakPolarHBondContact O-CB 3.42Å; G45-L49 PolarHBondContact O-N 3.26Å; Q46-L49 PolarHBondContact O-N 3.16Å; Q46-L49 VanDerWaalsContact O-N 3.1Å; L49-V52 PolarHBondContact O-N 3.45Å; L49-A53 WeakPolarHBondContact O-CB 3.43Å; L49-A53 PolarHBondContact O-N 3.24Å; L49-I61 HydrophobicContact CD2-CG2 4.01Å; L49-I61 HydrophobicContact CG-CG2 3.89Å; L49-F64 HydrophobicContact CD1-CB 4.31Å; L49-L66 HydrophobicContact CB-CD1 4.2Å; L49-L66 HydrophobicContact CB-CG 4.3Å; L49-L66 HydrophobicContact CD1-CD2 4.32Å; L49-L66 HydrophobicContact CD1-CG 4.2Å; L49-L80 HydrophobicContact CB-CD2 4.3Å; L49-L80 HydrophobicContact CD2-CD1 3.81Å; L49-L80 HydrophobicContact CD2-CD2 4.1Å; L49-F99 HydrophobicContact CD1-CD2 4.13Å; L49-F99 HydrophobicContact CD1-CE2 3.79Å
50E94.6Very high92.9Very high92 Ų9259.1 Ų59.143%0.4328%0.276SS..Hα-helixtrans-65-37.4175.3-73.6171.4-172.300111.9Q46 A53 Q54Q46-E50 WeakPolarHBondContact CG-OE1 3.26Å; Q46-E50 PolarHBondContact NE2-OE1 2.68Å; Q46-E50 WeakPolarHBondContact O-CB 3.47Å; Q46-E50 WeakPolarHBondContact O-CG 3.39Å; Q46-E50 PolarHBondContact O-N 3.08Å; E50-A53 PolarHBondContact O-N 2.65Å; E50-Q54 WeakPolarHBondContact O-CB 3.48Å; E50-Q54 PolarHBondContact O-N 3.43Å
51A93.3Very high93.1Very high22 Ų2259.1 Ų59.118%0.18227%0.272CS..Hα-helixtrans-66.3-39.6173.600000112.7F37 E47 C48 R55F37-A51 HydrophobicContact CD1-CB 3.76Å; F37-A51 HydrophobicContact CE1-CB 3.75Å; F37-A51 WeakPolarHBondContact CE1-O 3.37Å; E47-A51 WeakPolarHBondContact O-CB 3.32Å; E47-A51 PolarHBondContact O-N 3.45Å; C48-A51 PolarHBondContact O-N 3.24Å; A51-R55 WeakPolarHBondContact O-CB 3.32Å; A51-R55 PolarHBondContact O-N 3.33Å
52V94.8Very high93.3Very high0 Ų060.2 Ų60.20%028%0.278CS..Hα-helixtrans-64.9-47.2172.8173.10000110.8I27 L29 F37 C48 L49 Q54 R55 L56 L66 F99I27-V52 HydrophobicContact CD1-CG2 3.45Å; I27-V52 VanDerWaalsContact CD1-CG2 3.45Å; I27-V52 HydrophobicContact CG2-CG2 4.17Å; L29-V52 HydrophobicContact CD2-CG1 3.95Å; F37-V52 HydrophobicContact CD2-CG2 4.39Å; F37-V52 HydrophobicContact CE2-CG2 3.72Å; F37-V52 HydrophobicContact CZ-CG2 3.97Å; C48-V52 WeakPolarHBondContact O-CG2 3.5Å; C48-V52 PolarHBondContact O-N 3.03Å; C48-V52 VanDerWaalsContact O-N 3.12Å; L49-V52 PolarHBondContact O-N 3.45Å; V52-Q54 VanDerWaalsContact C-N 3.33Å; V52-Q54 PolarHBondContact O-N 3.4Å; V52-R55 PolarHBondContact O-N 2.99Å; V52-R55 VanDerWaalsContact O-N 3.12Å; V52-L56 HydrophobicContact CG1-CD1 3.97Å; V52-L56 WeakPolarHBondContact O-CG 3.16Å; V52-L56 PolarHBondContact O-N 3.14Å; V52-L66 HydrophobicContact CG2-CD2 4.41Å; V52-F99 HydrophobicContact CG1-CD2 3.63Å; V52-F99 HydrophobicContact CG1-CE2 3.87Å; V52-F99 HydrophobicContact CG1-CG 4.03Å; V52-F99 HydrophobicContact CG1-CZ 4.48Å
53A94.1Very high93.5Very high0 Ų054.6 Ų54.60%025%0.251CS..Hα-helixtrans-60.6-41.1177.600000112.4L49 E50 R55 L56 E57 L58 I61L49-A53 WeakPolarHBondContact O-CB 3.43Å; L49-A53 PolarHBondContact O-N 3.24Å; E50-A53 PolarHBondContact O-N 2.65Å; A53-R55 VanDerWaalsContact C-N 3.34Å; A53-R55 PolarHBondContact O-N 3.4Å; A53-L56 CarbonylContact O-C 3.58Å; A53-L56 PolarHBondContact O-N 3.05Å; A53-E57 PolarHBondContact O-N 2.81Å; A53-L58 HydrophobicContact CB-CB 4.05Å; A53-L58 PolarHBondContact O-N 2.84Å; A53-I61 HydrophobicContact CB-CB 4.48Å; A53-I61 HydrophobicContact CB-CD1 3.47Å; A53-I61 VanDerWaalsContact CB-CD1 3.47Å; A53-I61 HydrophobicContact CB-CG1 3.61Å; A53-I61 HydrophobicContact CB-CG2 4.11Å
54Q92.6Very high93.7Very high164 Ų16454.4 Ų54.477%0.76625%0.249SC*.Hα-helixtrans-63.2-38.8174.2-173.1178.55.600111.9E50 V52 L56 E57E50-Q54 WeakPolarHBondContact O-CB 3.48Å; E50-Q54 PolarHBondContact O-N 3.43Å; V52-Q54 VanDerWaalsContact C-N 3.33Å; V52-Q54 PolarHBondContact O-N 3.4Å; Q54-L56 PolarHBondContact O-N 2.84Å; Q54-E57 PolarHBondContact O-N 2.79Å
55R92.2Very high93.7Very high152 Ų15252.9 Ų52.957%0.57424%0.24SC*.Hα-helixtrans-68.7-22.3176.3-18058.4-174.789.1-3.7113.4F37 A51 V52 A53F37-R55 HydrophobicContact CE1-CB 4.36Å; F37-R55 HydrophobicContact CZ-CB 3.92Å; F37-R55 HydrophobicContact CZ-CG 4.25Å; A51-R55 WeakPolarHBondContact O-CB 3.32Å; A51-R55 PolarHBondContact O-N 3.33Å; V52-R55 PolarHBondContact O-N 2.99Å; V52-R55 VanDerWaalsContact O-N 3.12Å; A53-R55 VanDerWaalsContact C-N 3.34Å; A53-R55 PolarHBondContact O-N 3.4Å
56L92.4Very high93.8Very high27 Ų2752.9 Ų52.914%0.14124%0.24CC..THydrogen-bonded Turntrans-102.83.2177-66.8176.9000113.7L29 V52 A53 Q54 L58 F99 I115L29-L56 HydrophobicContact CD1-CD2 4.19Å; L29-L56 HydrophobicContact CD2-CD1 4.32Å; V52-L56 HydrophobicContact CG1-CD1 3.97Å; V52-L56 WeakPolarHBondContact O-CG 3.16Å; V52-L56 PolarHBondContact O-N 3.14Å; A53-L56 CarbonylContact O-C 3.58Å; A53-L56 PolarHBondContact O-N 3.05Å; Q54-L56 PolarHBondContact O-N 2.84Å; L56-L58 HydrophobicContact CB-CD1 3.86Å; L56-L58 HydrophobicContact CB-CG 3.9Å; L56-L58 HydrophobicContact CD1-CD1 3.74Å; L56-L58 HydrophobicContact CG-CD1 4.48Å; L56-L58 PolarHBondContact O-N 3.04Å; L56-F99 HydrophobicContact CD1-CD1 4.27Å; L56-F99 HydrophobicContact CD1-CE1 3.79Å; L56-F99 HydrophobicContact CD1-CZ 4.06Å; L56-I115 WeakPolarHBondContact O-CG1 3.43Å
57E93.6Very high93.9Very high130 Ų13050.7 Ų50.761%0.60723%0.229SC*.THydrogen-bonded Turntrans55.221.5-175.2-52.5-170.8-163.400114.7A53 Q54 Q113 K1133A53-E57 PolarHBondContact O-N 2.81Å; Q54-E57 PolarHBondContact O-N 2.79Å; E57-Q113 PolarHBondContact O-NE2 3.27Å; E57-K1133 IonicContact OE1-NZ 2.59Å; E57-K1133 PolarHBondContact OE1-NZ 2.61Å
58L92.2Very high93.9Very high10 Ų1047.6 Ų47.65%0.05221%0.214CC..  trans-72.9134.6178-74.3168000112.1A53 L56 F64 F99 I115 Q119A53-L58 HydrophobicContact CB-CB 4.05Å; A53-L58 PolarHBondContact O-N 2.84Å; L56-L58 HydrophobicContact CB-CD1 3.86Å; L56-L58 HydrophobicContact CB-CG 3.9Å; L56-L58 HydrophobicContact CD1-CD1 3.74Å; L56-L58 HydrophobicContact CG-CD1 4.48Å; L56-L58 PolarHBondContact O-N 3.04Å; L58-F64 HydrophobicContact CD1-CD2 4.37Å; L58-F64 HydrophobicContact CD1-CE2 4.21Å; L58-F64 HydrophobicContact CD2-CE2 4.06Å; L58-F64 HydrophobicContact CD2-CZ 4.36Å; L58-F99 HydrophobicContact CD1-CE1 4.31Å; L58-F99 HydrophobicContact CD1-CZ 3.69Å; L58-I115 HydrophobicContact CD2-CG1 4.04Å; L58-I115 HydrophobicContact CD2-CG2 4.1Å; L58-I115 HydrophobicContact CG-CG1 4.38Å; L58-Q119 HydrophobicContact CD1-CG 4.48Å; L58-Q119 HydrophobicContact CD2-CG 4.49Å
59R91.4Very high93.9Very high212 Ų21250.6 Ų50.680%0.823%0.228SC*.SBendtrans-113.9-31.9174.1-49.2172.3-174.3173.32.4111.7I61 Q113R59-I61 PolarHBondContact O-N 3.49Å; R59-Q113 VanDerWaalsContact CA-OE1 3.27Å
60E91.9Very high93.6Very high28 Ų2851 Ų5113%0.13123%0.23CC..  trans-7846.7173.5-64.1170.711100112.4T62 Y63 Q112 Q113 T116E60-T62 PolarHBondContact O-N 2.96Å; E60-Y63 HydrophobicContact CB-CD2 4.03Å; E60-Y63 HydrophobicContact CB-CE2 3.88Å; E60-Y63 HydrophobicContact CG-CE2 4.44Å; E60-Y63 WeakPolarHBondContact O-CD2 3.43Å; E60-Q112 PolarHBondContact OE1-N 3.43Å; E60-Q112 PolarHBondContact OE2-N 2.89Å; E60-Q113 HydrophobicContact CG-CG 4.41Å; E60-Q113 WeakPolarHBondContact OE2-CB 3.49Å; E60-Q113 WeakPolarHBondContact OE2-CG 3.24Å; E60-Q113 PolarHBondContact OE2-N 3.45Å; E60-T116 HydrophobicContact CB-CG2 3.99Å; E60-T116 WeakPolarHBondContact OE2-CB 3.44Å; E60-T116 PolarHBondContact OE2-OG1 3.17Å
61I92.8Very high93.3Very high45 Ų4552.6 Ų52.623%0.23124%0.235CC..G310 helixtrans-59.1-25.8-172.8-51.1177.7000112L49 A53 R59 Y63 F64L49-I61 HydrophobicContact CD2-CG2 4.01Å; L49-I61 HydrophobicContact CG-CG2 3.89Å; A53-I61 HydrophobicContact CB-CB 4.48Å; A53-I61 HydrophobicContact CB-CD1 3.47Å; A53-I61 VanDerWaalsContact CB-CD1 3.47Å; A53-I61 HydrophobicContact CB-CG1 3.61Å; A53-I61 HydrophobicContact CB-CG2 4.11Å; R59-I61 PolarHBondContact O-N 3.49Å; I61-Y63 PolarHBondContact O-N 3.18Å; I61-F64 PolarHBondContact O-N 3.35Å
62T91.5Very high93.1Very high52 Ų5257.2 Ų57.232%0.31925%0.253SS..G310 helixtrans-58-18.6-174.243.20000116.1E60 F103 L327E60-T62 PolarHBondContact O-N 2.96Å; T62-F103 WeakPolarHBondContact O-CD2 3.38Å; T62-L327 HydrophobicContact CG2-CB 4.42Å
63Y94.2Very high92.8Very high31 Ų3162 Ų6212%0.12228%0.279CS..G310 helixtrans-86.8-21.8177.6-54.3-59.9000113.5E60 I61 L102 F103 I105 L111 T116 Y120 F303E60-Y63 HydrophobicContact CB-CD2 4.03Å; E60-Y63 HydrophobicContact CB-CE2 3.88Å; E60-Y63 HydrophobicContact CG-CE2 4.44Å; E60-Y63 WeakPolarHBondContact O-CD2 3.43Å; I61-Y63 PolarHBondContact O-N 3.18Å; Y63-L102 PolarHBondContact O-N 3.1Å; Y63-F103 PolarHBondContact O-N 3.44Å; Y63-I105 HydrophobicContact CD1-CG2 4Å; Y63-I105 HydrophobicContact CE1-CG2 3.61Å; Y63-L111 HydrophobicContact CD2-CD2 3.94Å; Y63-L111 HydrophobicContact CE2-CD2 3.64Å; Y63-T116 HydrophobicContact CD2-CG2 4.14Å; Y63-Y120 HydrophobicContact CG-CE2 4.43Å; Y63-F303 AromaticContact CD1-CE2 3.78Å; Y63-F303 HydrophobicContact CD1-CE2 3.78Å; Y63-F303 AromaticContact CD1-CZ 3.72Å; Y63-F303 HydrophobicContact CD1-CZ 3.72Å; Y63-F303 AromaticContact CE1-CE2 3.84Å; Y63-F303 HydrophobicContact CE1-CE2 3.84Å; Y63-F303 AromaticContact CE1-CZ 3.74Å; Y63-F303 HydrophobicContact CE1-CZ 3.74Å
64F96.4Very high92.5Very high5 Ų565.2 Ų65.22%0.02229%0.294CS..EExtended strand (participates in β ladder)trans-99.6160.7-170.7-56.2-83.1000112.4L49 L58 I61 F99 G100 V101 T116 Q119 Y120L49-F64 HydrophobicContact CD1-CB 4.31Å; L58-F64 HydrophobicContact CD1-CD2 4.37Å; L58-F64 HydrophobicContact CD1-CE2 4.21Å; L58-F64 HydrophobicContact CD2-CE2 4.06Å; L58-F64 HydrophobicContact CD2-CZ 4.36Å; I61-F64 PolarHBondContact O-N 3.35Å; F64-F99 HydrophobicContact CB-CE2 3.58Å; F64-F99 HydrophobicContact CB-CZ 3.69Å; F64-F99 AromaticContact CD1-CE1 3.78Å; F64-F99 HydrophobicContact CD1-CE1 3.78Å; F64-F99 HydrophobicContact CD1-CE2 4.15Å; F64-F99 AromaticContact CD1-CZ 3.41Å; F64-F99 HydrophobicContact CD1-CZ 3.41Å; F64-F99 VanDerWaalsContact CD1-CZ 3.41Å; F64-F99 HydrophobicContact CD2-CZ 4.22Å; F64-F99 HydrophobicContact CE1-CE1 4.17Å; F64-F99 HydrophobicContact CE1-CZ 4.08Å; F64-F99 HydrophobicContact CG-CE1 4.33Å; F64-F99 AromaticContact CG-CE2 3.96Å; F64-F99 HydrophobicContact CG-CE2 3.96Å; F64-F99 AromaticContact CG-CZ 3.5Å; F64-F99 HydrophobicContact CG-CZ 3.5Å; F64-F99 VanDerWaalsContact CG-CZ 3.5Å; F64-G100 CarbonylContact C-O 3.48Å; F64-G100 WeakPolarHBondContact CA-O 3.3Å; F64-V101 HydrophobicContact CD1-CG2 3.96Å; F64-V101 HydrophobicContact CE1-CG2 3.75Å; F64-T116 HydrophobicContact CE2-CG2 3.97Å; F64-T116 HydrophobicContact CZ-CG2 4.02Å; F64-Q119 HydrophobicContact CE1-CB 3.69Å; F64-Q119 HydrophobicContact CZ-CB 3.82Å; F64-Y120 HydrophobicContact CZ-CD2 4.5Å
65S96.5Very high92.5Very high2 Ų259.7 Ų59.71%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-154.9-176.9170.6-166.80000110.4G100S65-G100 PolarHBondContact N-O 2.96Å; S65-G100 PolarHBondContact O-N 3.03Å; S65-G100 VanDerWaalsContact O-N 3.13Å
66L96.6Very high92.5Very high0 Ų053.3 Ų53.30%024%0.244CC..EExtended strand (participates in β ladder)trans-115144.3177-57.3174.5000109.8I27 C48 L49 V52 I78 V97 Y98 F99I27-L66 HydrophobicContact CG2-CD2 4.34Å; C48-L66 HydrophobicContact CB-CD1 3.71Å; C48-L66 WeakPolarHBondContact SG-CD1 3.47Å; L49-L66 HydrophobicContact CB-CD1 4.2Å; L49-L66 HydrophobicContact CB-CG 4.3Å; L49-L66 HydrophobicContact CD1-CD2 4.32Å; L49-L66 HydrophobicContact CD1-CG 4.2Å; V52-L66 HydrophobicContact CG2-CD2 4.41Å; L66-I78 HydrophobicContact CB-CB 4.34Å; L66-I78 HydrophobicContact CB-CD1 3.68Å; L66-I78 HydrophobicContact CB-CG1 4.37Å; L66-I78 VanDerWaalsContact O-CB 3.31Å; L66-I78 WeakPolarHBondContact O-CB 3.27Å; L66-I78 WeakPolarHBondContact O-CG1 3.28Å; L66-I78 PolarHBondContact O-N 2.65Å; L66-V97 HydrophobicContact CB-CG1 3.83Å; L66-V97 HydrophobicContact CD1-CG1 4.32Å; L66-V97 HydrophobicContact CD2-CG1 4.25Å; L66-V97 HydrophobicContact CG-CG1 4.36Å; L66-Y98 CarbonylContact C-O 3.51Å; L66-Y98 VanDerWaalsContact CA-O 3.31Å; L66-Y98 WeakPolarHBondContact CA-O 3.26Å; L66-F99 HydrophobicContact CD2-CB 4.3Å; L66-F99 HydrophobicContact CD2-CD2 4Å
67W95.5Very high92.7Very high9 Ų952.7 Ų52.73%0.03424%0.239CC..EExtended strand (participates in β ladder)trans-135.9168176.563.5-87.5000112.3F69 Q75 R76 W77 Y98W67-F69 AromaticContact CH2-CE2 3.91Å; W67-F69 HydrophobicContact CH2-CE2 3.91Å; W67-F69 AromaticContact CH2-CZ 3.85Å; W67-F69 HydrophobicContact CH2-CZ 3.85Å; W67-F69 HydrophobicContact CZ3-CD1 4.45Å; W67-F69 AromaticContact CZ3-CD2 4Å; W67-F69 HydrophobicContact CZ3-CD2 4Å; W67-F69 HydrophobicContact CZ3-CE1 4.06Å; W67-F69 AromaticContact CZ3-CE2 3.56Å; W67-F69 HydrophobicContact CZ3-CE2 3.56Å; W67-F69 HydrophobicContact CZ3-CG 4.43Å; W67-F69 AromaticContact CZ3-CZ 3.6Å; W67-F69 HydrophobicContact CZ3-CZ 3.6Å; W67-Q75 HydrophobicContact CB-CG 4.42Å; W67-Q75 HydrophobicContact CD2-CG 3.77Å; W67-Q75 VanDerWaalsContact CD2-NE2 3.32Å; W67-Q75 VanDerWaalsContact CE2-NE2 3.35Å; W67-Q75 HydrophobicContact CE3-CB 4.06Å; W67-Q75 HydrophobicContact CE3-CG 3.47Å; W67-Q75 VanDerWaalsContact CE3-CG 3.47Å; W67-Q75 HydrophobicContact CG-CG 4.22Å; W67-Q75 HydrophobicContact CZ3-CB 4.13Å; W67-Q75 HydrophobicContact CZ3-CG 3.94Å; W67-R76 VanDerWaalsContact CA-O 3.32Å; W67-R76 WeakPolarHBondContact CA-O 3.4Å; W67-R76 WeakPolarHBondContact CB-O 3.46Å; W67-W77 HydrophobicContact CB-CD2 4.12Å; W67-W77 HydrophobicContact CB-CE3 3.71Å; W67-W77 HydrophobicContact CB-CZ3 4.11Å; W67-W77 AromaticContact CD1-CH2 3.83Å; W67-W77 AromaticContact CD1-CZ3 3.51Å; W67-W77 HydrophobicContact CG-CE3 4.24Å; W67-W77 HydrophobicContact CG-CZ3 4.15Å; W67-Y98 HydrophobicContact CD2-CD2 4.17Å; W67-Y98 HydrophobicContact CD2-CG 4.11Å; W67-Y98 AromaticContact CE2-CG 3.91Å; W67-Y98 AromaticContact CE3-CD2 3.79Å; W67-Y98 HydrophobicContact CE3-CD2 3.79Å; W67-Y98 HydrophobicContact CE3-CG 4.11Å; W67-Y98 HydrophobicContact CH2-CD1 4.03Å; W67-Y98 HydrophobicContact CH2-CD2 4.02Å; W67-Y98 HydrophobicContact CH2-CE1 4.48Å; W67-Y98 HydrophobicContact CH2-CE2 4.49Å; W67-Y98 AromaticContact CH2-CG 3.79Å; W67-Y98 HydrophobicContact CH2-CG 3.79Å; W67-Y98 HydrophobicContact CZ2-CD1 4.07Å; W67-Y98 HydrophobicContact CZ2-CD2 4.36Å; W67-Y98 AromaticContact CZ2-CG 3.76Å; W67-Y98 HydrophobicContact CZ2-CG 3.76Å; W67-Y98 AromaticContact CZ3-CD2 3.72Å; W67-Y98 HydrophobicContact CZ3-CD2 3.72Å; W67-Y98 HydrophobicContact CZ3-CE2 4.14Å; W67-Y98 AromaticContact CZ3-CG 3.97Å; W67-Y98 HydrophobicContact CZ3-CG 3.97Å; W67-Y98 PolarHBondContact N-O 2.85Å; W67-Y98 PolarHBondContact O-N 3.27Å
68Y95.1Very high92.7Very high15 Ų1546.7 Ų46.76%0.05921%0.212CC..EExtended strand (participates in β ladder)trans-149.5162.8179.266.3-75.8000110.2N70 R76 I78 L88 Y91Y68-N70 HydrophobicContact CE2-CB 4.3Å; Y68-R76 VanDerWaalsContact CD1-O 3.24Å; Y68-R76 WeakPolarHBondContact CD1-O 3.4Å; Y68-R76 HydrophobicContact CE1-CB 4.1Å; Y68-R76 WeakPolarHBondContact CE1-O 3.2Å; Y68-R76 PolarHBondContact N-O 2.64Å; Y68-R76 PolarHBondContact O-N 2.9Å; Y68-I78 HydrophobicContact CD1-CD1 4.15Å; Y68-I78 HydrophobicContact CD1-CG1 3.51Å; Y68-I78 HydrophobicContact CE1-CG1 3.93Å; Y68-L88 HydrophobicContact CD1-CD2 4.42Å; Y68-L88 HydrophobicContact CD2-CD2 4.25Å; Y68-L88 HydrophobicContact CG-CD2 3.96Å; Y68-Y91 VanDerWaalsContact OH-CB 3.31Å; Y68-Y91 WeakPolarHBondContact OH-CB 3.32Å
69F93.6Very high92.8Very high64 Ų6447 Ų4728%0.28121%0.213SC..EExtended strand (participates in β ladder)trans-84.6125.3168.6-71.2-74.8000110.5W67 Q93 Y98W67-F69 AromaticContact CH2-CE2 3.91Å; W67-F69 HydrophobicContact CH2-CE2 3.91Å; W67-F69 AromaticContact CH2-CZ 3.85Å; W67-F69 HydrophobicContact CH2-CZ 3.85Å; W67-F69 HydrophobicContact CZ3-CD1 4.45Å; W67-F69 AromaticContact CZ3-CD2 4Å; W67-F69 HydrophobicContact CZ3-CD2 4Å; W67-F69 HydrophobicContact CZ3-CE1 4.06Å; W67-F69 AromaticContact CZ3-CE2 3.56Å; W67-F69 HydrophobicContact CZ3-CE2 3.56Å; W67-F69 HydrophobicContact CZ3-CG 4.43Å; W67-F69 AromaticContact CZ3-CZ 3.6Å; W67-F69 HydrophobicContact CZ3-CZ 3.6Å; F69-Q93 PolarHBondContact O-N 2.81Å; F69-Y98 AromaticContact CD2-CE2 3.8Å; F69-Y98 HydrophobicContact CD2-CE2 3.8Å; F69-Y98 AromaticContact CE2-CE2 3.99Å; F69-Y98 HydrophobicContact CE2-CE2 3.99Å; F69-Y98 AromaticContact CE2-CZ 3.88Å
70N91.1Very high92.9Very high11 Ų1138 Ų386%0.05918%0.181CC..BIsolated β-bridgetrans-75.4172.3173.175.41.7000111.6Y68 Q72 N73 Q74 R76 Y91 Q93Y68-N70 HydrophobicContact CE2-CB 4.3Å; N70-Q72 VanDerWaalsContact CG-OE1 3.22Å; N70-Q72 PolarHBondContact ND2-OE1 2.91Å; N70-Q72 VanDerWaalsContact ND2-OE1 3.16Å; N70-Q72 PolarHBondContact O-N 3.38Å; N70-Q72 WeakPolarHBondContact OD1-CA 3.47Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.31Å; N70-Q72 PolarHBondContact OD1-N 2.86Å; N70-Q72 PolarHBondContact OD1-OE1 3.26Å; N70-N73 WeakPolarHBondContact O-CA 3.45Å; N70-N73 PolarHBondContact O-N 2.88Å; N70-N73 PolarHBondContact OD1-N 3.36Å; N70-Q74 PolarHBondContact N-O 3.09Å; N70-Q74 PolarHBondContact ND2-OE1 2.69Å; N70-Q74 WeakPolarHBondContact OD1-CB 3.31Å; N70-Q74 PolarHBondContact OD1-N 3.11Å; N70-Q74 PolarHBondContact OD1-O 2.95Å; N70-R76 HydrophobicContact CB-CG 4.03Å; N70-R76 PolarHBondContact ND2-NE 3.13Å; N70-Y91 CarbonylContact C-O 3.56Å; N70-Y91 VanDerWaalsContact CA-O 3.26Å; N70-Y91 WeakPolarHBondContact CA-O 3.36Å; N70-Q93 PolarHBondContact O-OE1 2.88Å
71K88Confident93Very high126 Ų12640.8 Ų40.855%0.54819%0.194SC..THydrogen-bonded Turntrans-63.3-4.3178.6-70.4166.5-174173.70115.2D89 K90 Y91 G92K71-D89 PolarHBondContact NZ-O 2.95Å; K71-K90 WeakPolarHBondContact CE-O 3.44Å; K71-K90 PolarHBondContact NZ-O 3.13Å; K71-Y91 PolarHBondContact N-O 3.33Å; K71-G92 WeakPolarHBondContact CE-O 3.33Å
72Q87.8Confident93Very high119 Ų11943.6 Ų43.656%0.55620%0.204SC*.THydrogen-bonded Turntrans-103.312.6171.4-60.890.3-22.700112.2N70 Q74N70-Q72 VanDerWaalsContact CG-OE1 3.22Å; N70-Q72 PolarHBondContact ND2-OE1 2.91Å; N70-Q72 VanDerWaalsContact ND2-OE1 3.16Å; N70-Q72 PolarHBondContact O-N 3.38Å; N70-Q72 WeakPolarHBondContact OD1-CA 3.47Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.31Å; N70-Q72 PolarHBondContact OD1-N 2.86Å; N70-Q72 PolarHBondContact OD1-OE1 3.26Å; Q72-Q74 VanDerWaalsContact C-N 3.26Å; Q72-Q74 HydrophobicContact CB-CG 4.18Å; Q72-Q74 PolarHBondContact O-N 3.42Å
73N88.8Confident93.1Very high101 Ų10141.8 Ų41.854%0.5420%0.195SC..SBendtrans56.830.7-174.7-159.341.9000114.7N70N70-N73 WeakPolarHBondContact O-CA 3.45Å; N70-N73 PolarHBondContact O-N 2.88Å; N70-N73 PolarHBondContact OD1-N 3.36Å
74Q88.9Confident93.1Very high67 Ų6740.3 Ų40.331%0.31319%0.189SC..  trans-101.4136.3176.6-56.3164.3-31.600110.2N70 Q72 R76N70-Q74 PolarHBondContact N-O 3.09Å; N70-Q74 PolarHBondContact ND2-OE1 2.69Å; N70-Q74 WeakPolarHBondContact OD1-CB 3.31Å; N70-Q74 PolarHBondContact OD1-N 3.11Å; N70-Q74 PolarHBondContact OD1-O 2.95Å; Q72-Q74 VanDerWaalsContact C-N 3.26Å; Q72-Q74 HydrophobicContact CB-CG 4.18Å; Q72-Q74 PolarHBondContact O-N 3.42Å; Q74-R76 PolarHBondContact O-N 3.26Å
75Q92Very high92.8Very high47 Ų4742.5 Ų42.522%0.2220%0.199CC..EExtended strand (participates in β ladder)trans-62.4127.8170.4168.9167.88.600110.5W67W67-Q75 HydrophobicContact CB-CG 4.42Å; W67-Q75 HydrophobicContact CD2-CG 3.77Å; W67-Q75 VanDerWaalsContact CD2-NE2 3.32Å; W67-Q75 VanDerWaalsContact CE2-NE2 3.35Å; W67-Q75 HydrophobicContact CE3-CB 4.06Å; W67-Q75 HydrophobicContact CE3-CG 3.47Å; W67-Q75 VanDerWaalsContact CE3-CG 3.47Å; W67-Q75 HydrophobicContact CG-CG 4.22Å; W67-Q75 HydrophobicContact CZ3-CB 4.13Å; W67-Q75 HydrophobicContact CZ3-CG 3.94Å
76R93.2Very high92.6Very high19 Ų1949 Ų497%0.07223%0.227CC..EExtended strand (participates in β ladder)trans-135.9127.7176.9-61-64.3-177.21575.1111.3W67 Y68 N70 Q74 T289 Y292W67-R76 VanDerWaalsContact CA-O 3.32Å; W67-R76 WeakPolarHBondContact CA-O 3.4Å; W67-R76 WeakPolarHBondContact CB-O 3.46Å; Y68-R76 VanDerWaalsContact CD1-O 3.24Å; Y68-R76 WeakPolarHBondContact CD1-O 3.4Å; Y68-R76 HydrophobicContact CE1-CB 4.1Å; Y68-R76 WeakPolarHBondContact CE1-O 3.2Å; Y68-R76 PolarHBondContact N-O 2.64Å; Y68-R76 PolarHBondContact O-N 2.9Å; N70-R76 HydrophobicContact CB-CG 4.03Å; N70-R76 PolarHBondContact ND2-NE 3.13Å; Q74-R76 PolarHBondContact O-N 3.26Å; R76-T289 PolarHBondContact NH2-OG1 2.93Å; R76-Y292 HydrophobicContact CB-CD2 4.48Å; R76-Y292 HydrophobicContact CB-CE2 3.83Å; R76-Y292 HydrophobicContact CG-CE2 4.3Å
77W95.1Very high92.4Very high13 Ų1349.6 Ų49.65%0.04923%0.229CC..EExtended strand (participates in β ladder)trans-67.1137.7172.9-63.6111.2000112.4W67 V101 L102 E220 Y292 R295 M296W67-W77 HydrophobicContact CB-CD2 4.12Å; W67-W77 HydrophobicContact CB-CE3 3.71Å; W67-W77 HydrophobicContact CB-CZ3 4.11Å; W67-W77 AromaticContact CD1-CH2 3.83Å; W67-W77 AromaticContact CD1-CZ3 3.51Å; W67-W77 HydrophobicContact CG-CE3 4.24Å; W67-W77 HydrophobicContact CG-CZ3 4.15Å; W77-V101 VanDerWaalsContact CH2-O 3.22Å; W77-V101 WeakPolarHBondContact CH2-O 3.21Å; W77-V101 WeakPolarHBondContact CZ2-O 3.17Å; W77-L102 HydrophobicContact CD2-CD1 3.8Å; W77-L102 HydrophobicContact CE3-CB 4.4Å; W77-L102 HydrophobicContact CE3-CD1 4.45Å; W77-L102 HydrophobicContact CG-CD1 3.86Å; W77-L102 HydrophobicContact CH2-CB 4.3Å; W77-L102 HydrophobicContact CZ2-CB 4.4Å; W77-L102 HydrophobicContact CZ2-CD1 4.27Å; W77-L102 HydrophobicContact CZ3-CB 4.28Å; W77-E220 PolarHBondContact NE1-OE2 2.97Å; W77-E220 VanDerWaalsContact NE1-OE2 3.16Å; W77-Y292 HydrophobicContact CB-CE2 4.5Å; W77-Y292 PolarHBondContact N-OH 3.41Å; W77-R295 PolarHBondContact O-NH2 3.18Å; W77-M296 HydrophobicContact CB-SD 3.77Å; W77-M296 HydrophobicContact CG-SD 4.06Å
78I95.1Very high92.2Very high5 Ų549.7 Ų49.73%0.02623%0.231CC..  trans-69.5143179.4-69.4172.4000110.2L66 Y68 L80 L84 V97L66-I78 HydrophobicContact CB-CB 4.34Å; L66-I78 HydrophobicContact CB-CD1 3.68Å; L66-I78 HydrophobicContact CB-CG1 4.37Å; L66-I78 VanDerWaalsContact O-CB 3.31Å; L66-I78 WeakPolarHBondContact O-CB 3.27Å; L66-I78 WeakPolarHBondContact O-CG1 3.28Å; L66-I78 PolarHBondContact O-N 2.65Å; Y68-I78 HydrophobicContact CD1-CD1 4.15Å; Y68-I78 HydrophobicContact CD1-CG1 3.51Å; Y68-I78 HydrophobicContact CE1-CG1 3.93Å; I78-L80 PolarHBondContact O-N 3.2Å; I78-L84 HydrophobicContact CD1-CD1 3.65Å; I78-L84 HydrophobicContact CG1-CD1 4.48Å; I78-L84 HydrophobicContact CG2-CD1 4.13Å; I78-V97 HydrophobicContact CD1-CG1 3.72Å; I78-V97 HydrophobicContact CD1-CG2 4.04Å
79D94.1Very high92Very high16 Ų1654.1 Ų54.19%0.08626%0.255CS..  trans-79.2100.2170.3-154.1-72.2000109.4E81 K82 Q87 R295D79-E81 PolarHBondContact O-N 3.22Å; D79-E81 VanDerWaalsContact O-N 3.13Å; D79-K82 HydrophobicContact CB-CB 4.18Å; D79-K82 HydrophobicContact CB-CD 3.93Å; D79-K82 HydrophobicContact CB-CG 4.19Å; D79-K82 PolarHBondContact O-N 3.07Å; D79-K82 WeakPolarHBondContact OD1-CG 3.28Å; D79-K82 IonicContact OD1-NZ 3.03Å; D79-K82 PolarHBondContact OD1-NZ 3.14Å; D79-K82 IonicContact OD2-NZ 2.68Å; D79-K82 PolarHBondContact OD2-NZ 3.45Å; D79-Q87 PolarHBondContact O-NE2 2.84Å; D79-R295 VanDerWaalsContact CA-NH1 3.27Å; D79-R295 VanDerWaalsContact CG-NH1 3.34Å; D79-R295 WeakPolarHBondContact OD2-CD 3.36Å; D79-R295 IonicContact OD2-CZ 2.73Å; D79-R295 IonicContact OD2-NH1 2.63Å; D79-R295 PolarHBondContact OD2-NH1 2.97Å
80L93.6Very high91.8Very high23 Ų2356 Ų5612%0.1226%0.263CS..THydrogen-bonded Turntrans-59.5-28.1-171.1-62.5176.7000112.9T44 G45 Q46 L49 I78 K82T44-L80 WeakPolarHBondContact CB-O 3.23Å; G45-L80 CarbonylContact C-O 3.58Å; G45-L80 PolarHBondContact N-O 3.17Å; G45-L80 VanDerWaalsContact N-O 3.09Å; Q46-L80 HydrophobicContact CB-CB 4.23Å; Q46-L80 WeakPolarHBondContact CB-O 3.43Å; Q46-L80 PolarHBondContact N-O 3.39Å; L49-L80 HydrophobicContact CB-CD2 4.3Å; L49-L80 HydrophobicContact CD2-CD1 3.81Å; L49-L80 HydrophobicContact CD2-CD2 4.1Å; I78-L80 PolarHBondContact O-N 3.2Å; L80-K82 VanDerWaalsContact C-N 3.35Å; L80-K82 PolarHBondContact O-N 3.42Å
81E92.5Very high91.7Very high87 Ų8759.3 Ų59.341%0.40728%0.276SS..THydrogen-bonded Turntrans-77.4-13.5177.5-59.4-165.614200115.1D79 S330 F331D79-E81 PolarHBondContact O-N 3.22Å; D79-E81 VanDerWaalsContact O-N 3.13Å; E81-S330 WeakPolarHBondContact OE1-CA 3.21Å; E81-F331 HydrophobicContact CG-CD2 3.83Å; E81-F331 PolarHBondContact OE1-N 2.93Å
82K93.8Very high91.7Very high103 Ų10353.7 Ų53.745%0.44825%0.254SS..SBendtrans-104.3143.2-172.3-64.5176.1-175.270.30110.5G45 D79 L80 L84 Q87G45-K82 PolarHBondContact N-O 3.26Å; G45-K82 VanDerWaalsContact N-O 3.17Å; D79-K82 HydrophobicContact CB-CB 4.18Å; D79-K82 HydrophobicContact CB-CD 3.93Å; D79-K82 HydrophobicContact CB-CG 4.19Å; D79-K82 PolarHBondContact O-N 3.07Å; D79-K82 WeakPolarHBondContact OD1-CG 3.28Å; D79-K82 IonicContact OD1-NZ 3.03Å; D79-K82 PolarHBondContact OD1-NZ 3.14Å; D79-K82 IonicContact OD2-NZ 2.68Å; D79-K82 PolarHBondContact OD2-NZ 3.45Å; L80-K82 VanDerWaalsContact C-N 3.35Å; L80-K82 PolarHBondContact O-N 3.42Å; K82-L84 PolarHBondContact O-N 3.23Å; K82-L84 VanDerWaalsContact O-N 3.12Å; K82-Q87 HydrophobicContact CB-CG 4.26Å; K82-Q87 PolarHBondContact O-NE2 2.97Å
83A93.5Very high91.6Very high15 Ų1552.9 Ų52.912%0.12425%0.25CC..BIsolated β-bridgetrans-51.5119.6177.400000111E42 S43 K85 K86E42-A83 WeakPolarHBondContact O-CB 3.3Å; S43-A83 CarbonylContact O-C 3.43Å; S43-A83 VanDerWaalsContact O-CA 3.28Å; S43-A83 WeakPolarHBondContact O-CA 3.28Å; A83-K85 VanDerWaalsContact C-N 3.34Å; A83-K85 PolarHBondContact O-N 3.25Å; A83-K86 HydrophobicContact CB-CD 4.08Å; A83-K86 HydrophobicContact CB-CG 4.22Å; A83-K86 PolarHBondContact O-N 2.89Å; A83-K86 VanDerWaalsContact O-N 3.09Å
84L93.3Very high91.3Very high0 Ų053.1 Ų53.10%025%0.247CC..Hα-helixtrans-54.5-49.3-168.7174.658.6000111.6L23 T25 L39 S43 C48 I78 K82 K86 Q87 L88 V97L23-L84 HydrophobicContact CD2-CB 4.19Å; L23-L84 HydrophobicContact CD2-CD2 3.9Å; L23-L84 HydrophobicContact CD2-CG 3.98Å; T25-L84 HydrophobicContact CG2-CD2 4.3Å; L39-L84 HydrophobicContact CD1-CD2 4.09Å; S43-L84 PolarHBondContact O-N 2.98Å; C48-L84 HydrophobicContact CB-CD2 3.92Å; C48-L84 VanDerWaalsContact SG-CD2 3.58Å; I78-L84 HydrophobicContact CD1-CD1 3.65Å; I78-L84 HydrophobicContact CG1-CD1 4.48Å; I78-L84 HydrophobicContact CG2-CD1 4.13Å; K82-L84 PolarHBondContact O-N 3.23Å; K82-L84 VanDerWaalsContact O-N 3.12Å; L84-K86 VanDerWaalsContact C-N 3.3Å; L84-K86 PolarHBondContact O-N 3.4Å; L84-Q87 WeakPolarHBondContact O-CB 3.46Å; L84-Q87 PolarHBondContact O-N 2.81Å; L84-L88 HydrophobicContact CD1-CD1 3.99Å; L84-L88 HydrophobicContact CD1-CG 4.12Å; L84-L88 HydrophobicContact CG-CD1 4.02Å; L84-L88 HydrophobicContact CG-CG 4.5Å; L84-L88 PolarHBondContact O-N 3.11Å; L84-L88 VanDerWaalsContact O-N 3.13Å; L84-V97 HydrophobicContact CD1-CG2 4.47Å
85K91.6Very high90.9Very high51 Ų5153.9 Ų53.922%0.22226%0.258CS..Hα-helixtrans-54.7-42.7179.6-175.1166.1-174.4171.50113.2L23 V41 A83 Q87 L88 D89L23-K85 HydrophobicContact CD1-CB 4.12Å; L23-K85 HydrophobicContact CD1-CD 4.09Å; L23-K85 HydrophobicContact CD1-CG 4.12Å; L23-K85 HydrophobicContact CD2-CB 4.02Å; V41-K85 HydrophobicContact CB-CD 4.35Å; V41-K85 HydrophobicContact CG1-CD 4.1Å; V41-K85 HydrophobicContact CG2-CD 3.73Å; A83-K85 VanDerWaalsContact C-N 3.34Å; A83-K85 PolarHBondContact O-N 3.25Å; K85-Q87 PolarHBondContact O-N 2.84Å; K85-L88 PolarHBondContact O-N 3.19Å; K85-D89 VanDerWaalsContact CE-OD2 3.26Å; K85-D89 WeakPolarHBondContact CE-OD2 3.34Å; K85-D89 WeakPolarHBondContact CG-OD2 3.35Å; K85-D89 VanDerWaalsContact O-CB 3.29Å; K85-D89 WeakPolarHBondContact O-CB 3.43Å; K85-D89 VanDerWaalsContact O-CG 3.28Å; K85-D89 PolarHBondContact O-N 2.87Å
86K91.7Very high90.7Very high138 Ų13852.2 Ų52.260%0.625%0.252SS*.Hα-helixtrans-66.8-22.1-177.8-63.1-179.7-173.3165.70112.3A83 L84 K90A83-K86 HydrophobicContact CB-CD 4.08Å; A83-K86 HydrophobicContact CB-CG 4.22Å; A83-K86 PolarHBondContact O-N 2.89Å; A83-K86 VanDerWaalsContact O-N 3.09Å; L84-K86 VanDerWaalsContact C-N 3.3Å; L84-K86 PolarHBondContact O-N 3.4Å; K86-K90 WeakPolarHBondContact O-CB 3.41Å
87Q92.4Very high90.8Very high12 Ų1251.3 Ų51.36%0.05625%0.248CC..Hα-helixtrans-81.3-48.8174.5-56.6-175.86900110.7D79 K82 L84 K85 K90 Y91D79-Q87 PolarHBondContact O-NE2 2.84Å; K82-Q87 HydrophobicContact CB-CG 4.26Å; K82-Q87 PolarHBondContact O-NE2 2.97Å; L84-Q87 WeakPolarHBondContact O-CB 3.46Å; L84-Q87 PolarHBondContact O-N 2.81Å; K85-Q87 PolarHBondContact O-N 2.84Å; Q87-K90 PolarHBondContact O-N 3.42Å; Q87-Y91 WeakPolarHBondContact O-CB 3.45Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.35Å; Q87-Y91 PolarHBondContact O-N 3.01Å
88L91.4Very high90.9Very high12 Ų1252.2 Ų52.26%0.06325%0.252CS..Hα-helixtrans-62.5-49.7178-60.3176.8000111.4Y68 L84 K85 K90 G92 V97Y68-L88 HydrophobicContact CD1-CD2 4.42Å; Y68-L88 HydrophobicContact CD2-CD2 4.25Å; Y68-L88 HydrophobicContact CG-CD2 3.96Å; L84-L88 HydrophobicContact CD1-CD1 3.99Å; L84-L88 HydrophobicContact CD1-CG 4.12Å; L84-L88 HydrophobicContact CG-CD1 4.02Å; L84-L88 HydrophobicContact CG-CG 4.5Å; L84-L88 PolarHBondContact O-N 3.11Å; L84-L88 VanDerWaalsContact O-N 3.13Å; K85-L88 PolarHBondContact O-N 3.19Å; L88-K90 VanDerWaalsContact C-N 3.29Å; L88-K90 PolarHBondContact O-N 3.27Å; L88-G92 WeakPolarHBondContact O-CA 3.47Å; L88-G92 PolarHBondContact O-N 2.94Å; L88-V97 HydrophobicContact CD1-CG2 3.87Å; L88-V97 HydrophobicContact CD2-CG2 3.97Å
89D90.1Very high91Very high107 Ų10752.2 Ų52.257%0.57225%0.252SS*.Hα-helixtrans-56.6-39.5177.9-72.1-6.4000112K71 K85K71-D89 PolarHBondContact NZ-O 2.95Å; K85-D89 VanDerWaalsContact CE-OD2 3.26Å; K85-D89 WeakPolarHBondContact CE-OD2 3.34Å; K85-D89 WeakPolarHBondContact CG-OD2 3.35Å; K85-D89 VanDerWaalsContact O-CB 3.29Å; K85-D89 WeakPolarHBondContact O-CB 3.43Å; K85-D89 VanDerWaalsContact O-CG 3.28Å; K85-D89 PolarHBondContact O-N 2.87Å
90K90.1Very high91.1Very high104 Ų10451.5 Ų51.545%0.45225%0.247SC..Hα-helixtrans-79.4-53.1179.6-175.1-178.9165.7-155.70112.6K71 K86 Q87 L88 E288K71-K90 WeakPolarHBondContact CE-O 3.44Å; K71-K90 PolarHBondContact NZ-O 3.13Å; K86-K90 WeakPolarHBondContact O-CB 3.41Å; Q87-K90 PolarHBondContact O-N 3.42Å; L88-K90 VanDerWaalsContact C-N 3.29Å; L88-K90 PolarHBondContact O-N 3.27Å; K90-E288 IonicContact NZ-OE1 3.79Å; K90-E288 PolarHBondContact NZ-OE1 3.25Å
91Y88.3Confident91.2Very high81 Ų8150.4 Ų50.432%0.31824%0.242SC..Hα-helixtrans-108.7-26-164-56.4-71.9000114.4Y68 N70 K71 Q87 E288Y68-Y91 VanDerWaalsContact OH-CB 3.31Å; Y68-Y91 WeakPolarHBondContact OH-CB 3.32Å; N70-Y91 CarbonylContact C-O 3.56Å; N70-Y91 VanDerWaalsContact CA-O 3.26Å; N70-Y91 WeakPolarHBondContact CA-O 3.36Å; K71-Y91 PolarHBondContact N-O 3.33Å; Q87-Y91 WeakPolarHBondContact O-CB 3.45Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.35Å; Q87-Y91 PolarHBondContact O-N 3.01Å; Y91-E288 WeakPolarHBondContact CE1-OE2 3.36Å
92G87.6Confident91.3Very high8 Ų846.8 Ų46.88%0.08223%0.225CC..BIsolated β-bridgetrans-72.5144.8-172.500000113.3K71 L88K71-G92 WeakPolarHBondContact CE-O 3.33Å; L88-G92 WeakPolarHBondContact O-CA 3.47Å; L88-G92 PolarHBondContact O-N 2.94Å
93Q87.1Confident91.2Very high101 Ų10142.7 Ų42.747%0.47221%0.207SC..SBendtrans-77.1-38.7167.4-179.3172.9-35.700111F69 N70F69-Q93 PolarHBondContact O-N 2.81Å; N70-Q93 PolarHBondContact O-OE1 2.88Å
94E81.7Confident91.2Very high106 Ų10643.1 Ų43.150%0.49521%0.206SC..SBendtrans-132162.8-179.9-72.3-161.417100111.9T96E94-T96 PolarHBondContact O-N 3.37Å; E94-T96 PolarHBondContact OE2-OG1 3.05Å
95P79.9Confident91.1Very high83 Ų8343.1 Ų43.154%0.53921%0.206SC..SBendtrans-74.6-2.3167.233.8-37.3000113.5
96T89.4Confident90.9Very high13 Ų1344.6 Ų44.68%0.0822%0.221CC..  trans-70.5125.8177.9-46.60000110.4F34 E94 Y98F34-T96 HydrophobicContact CE1-CG2 4.22Å; E94-T96 PolarHBondContact O-N 3.37Å; E94-T96 PolarHBondContact OE2-OG1 3.05Å; T96-Y98 HydrophobicContact CG2-CE1 4.25Å; T96-Y98 HydrophobicContact CG2-CE2 3.94Å
97V95Very high90.8Very high0 Ų039.5 Ų39.50%020%0.203CC..EExtended strand (participates in β ladder)trans-114.9155.7176.1171.60000108.8T25 R26 I27 Q28 L66 I78 L84 L88T25-V97 HydrophobicContact CG2-CB 3.86Å; T25-V97 HydrophobicContact CG2-CG2 3.6Å; R26-V97 PolarHBondContact O-N 2.63Å; I27-V97 CarbonylContact C-O 3.51Å; I27-V97 VanDerWaalsContact CA-O 3.25Å; I27-V97 WeakPolarHBondContact CA-O 3.48Å; I27-V97 HydrophobicContact CG1-CB 4.28Å; I27-V97 HydrophobicContact CG1-CG1 4.43Å; I27-V97 HydrophobicContact CG2-CG1 4.42Å; Q28-V97 PolarHBondContact N-O 3.3Å; L66-V97 HydrophobicContact CB-CG1 3.83Å; L66-V97 HydrophobicContact CD1-CG1 4.32Å; L66-V97 HydrophobicContact CD2-CG1 4.25Å; L66-V97 HydrophobicContact CG-CG1 4.36Å; I78-V97 HydrophobicContact CD1-CG1 3.72Å; I78-V97 HydrophobicContact CD1-CG2 4.04Å; L84-V97 HydrophobicContact CD1-CG2 4.47Å; L88-V97 HydrophobicContact CD1-CG2 3.87Å; L88-V97 HydrophobicContact CD2-CG2 3.97Å
98Y96.3Very high90.8Very high32 Ų3238.9 Ų38.913%0.12520%0.2CC..EExtended strand (participates in β ladder)trans-131.1134.4-176.3-56.5-97.5000109.6Q28 L66 W67 F69 T96Q28-Y98 HydrophobicContact CB-CD1 3.74Å; Q28-Y98 HydrophobicContact CB-CE1 4.21Å; Q28-Y98 VanDerWaalsContact OE1-CE1 3.29Å; L66-Y98 CarbonylContact C-O 3.51Å; L66-Y98 VanDerWaalsContact CA-O 3.31Å; L66-Y98 WeakPolarHBondContact CA-O 3.26Å; W67-Y98 HydrophobicContact CD2-CD2 4.17Å; W67-Y98 HydrophobicContact CD2-CG 4.11Å; W67-Y98 AromaticContact CE2-CG 3.91Å; W67-Y98 AromaticContact CE3-CD2 3.79Å; W67-Y98 HydrophobicContact CE3-CD2 3.79Å; W67-Y98 HydrophobicContact CE3-CG 4.11Å; W67-Y98 HydrophobicContact CH2-CD1 4.03Å; W67-Y98 HydrophobicContact CH2-CD2 4.02Å; W67-Y98 HydrophobicContact CH2-CE1 4.48Å; W67-Y98 HydrophobicContact CH2-CE2 4.49Å; W67-Y98 AromaticContact CH2-CG 3.79Å; W67-Y98 HydrophobicContact CH2-CG 3.79Å; W67-Y98 HydrophobicContact CZ2-CD1 4.07Å; W67-Y98 HydrophobicContact CZ2-CD2 4.36Å; W67-Y98 AromaticContact CZ2-CG 3.76Å; W67-Y98 HydrophobicContact CZ2-CG 3.76Å; W67-Y98 AromaticContact CZ3-CD2 3.72Å; W67-Y98 HydrophobicContact CZ3-CD2 3.72Å; W67-Y98 HydrophobicContact CZ3-CE2 4.14Å; W67-Y98 AromaticContact CZ3-CG 3.97Å; W67-Y98 HydrophobicContact CZ3-CG 3.97Å; W67-Y98 PolarHBondContact N-O 2.85Å; W67-Y98 PolarHBondContact O-N 3.27Å; F69-Y98 AromaticContact CD2-CE2 3.8Å; F69-Y98 HydrophobicContact CD2-CE2 3.8Å; F69-Y98 AromaticContact CE2-CE2 3.99Å; F69-Y98 HydrophobicContact CE2-CE2 3.99Å; F69-Y98 AromaticContact CE2-CZ 3.88Å; T96-Y98 HydrophobicContact CG2-CE1 4.25Å; T96-Y98 HydrophobicContact CG2-CE2 3.94Å
99F97.5Very high90.8Very high5 Ų542 Ų422%0.02222%0.219CC..EExtended strand (participates in β ladder)trans-81.1150.3170.9-176.7-113.1000110.3I27 Q28 L29 L30 L49 V52 L56 L58 F64 L66 Q119I27-F99 HydrophobicContact CG2-CB 4.47Å; Q28-F99 WeakPolarHBondContact O-CB 3.49Å; Q28-F99 PolarHBondContact O-N 3.31Å; L29-F99 HydrophobicContact CD2-CB 4.41Å; L30-F99 HydrophobicContact CD1-CD1 3.81Å; L30-F99 HydrophobicContact CD1-CE1 3.96Å; L30-F99 HydrophobicContact CG-CD1 3.96Å; L49-F99 HydrophobicContact CD1-CD2 4.13Å; L49-F99 HydrophobicContact CD1-CE2 3.79Å; V52-F99 HydrophobicContact CG1-CD2 3.63Å; V52-F99 HydrophobicContact CG1-CE2 3.87Å; V52-F99 HydrophobicContact CG1-CG 4.03Å; V52-F99 HydrophobicContact CG1-CZ 4.48Å; L56-F99 HydrophobicContact CD1-CD1 4.27Å; L56-F99 HydrophobicContact CD1-CE1 3.79Å; L56-F99 HydrophobicContact CD1-CZ 4.06Å; L58-F99 HydrophobicContact CD1-CE1 4.31Å; L58-F99 HydrophobicContact CD1-CZ 3.69Å; F64-F99 HydrophobicContact CB-CE2 3.58Å; F64-F99 HydrophobicContact CB-CZ 3.69Å; F64-F99 AromaticContact CD1-CE1 3.78Å; F64-F99 HydrophobicContact CD1-CE1 3.78Å; F64-F99 HydrophobicContact CD1-CE2 4.15Å; F64-F99 AromaticContact CD1-CZ 3.41Å; F64-F99 HydrophobicContact CD1-CZ 3.41Å; F64-F99 VanDerWaalsContact CD1-CZ 3.41Å; F64-F99 HydrophobicContact CD2-CZ 4.22Å; F64-F99 HydrophobicContact CE1-CE1 4.17Å; F64-F99 HydrophobicContact CE1-CZ 4.08Å; F64-F99 HydrophobicContact CG-CE1 4.33Å; F64-F99 AromaticContact CG-CE2 3.96Å; F64-F99 HydrophobicContact CG-CE2 3.96Å; F64-F99 AromaticContact CG-CZ 3.5Å; F64-F99 HydrophobicContact CG-CZ 3.5Å; F64-F99 VanDerWaalsContact CG-CZ 3.5Å; L66-F99 HydrophobicContact CD2-CB 4.3Å; L66-F99 HydrophobicContact CD2-CD2 4Å; F99-Q119 HydrophobicContact CE1-CG 4.48Å
100G96.4Very high90.8Very high0 Ų040.3 Ų40.30%021%0.208CC..EExtended strand (participates in β ladder)trans-176.7166.2178.600000114.6F64 S65F64-G100 CarbonylContact C-O 3.48Å; F64-G100 WeakPolarHBondContact CA-O 3.3Å; S65-G100 PolarHBondContact N-O 2.96Å; S65-G100 PolarHBondContact O-N 3.03Å; S65-G100 VanDerWaalsContact O-N 3.13Å
101V95.8Very high90.9Very high0 Ų035.5 Ų35.50%019%0.187CC..EExtended strand (participates in β ladder)trans-78.7123.8173.1-175.60000109.3F64 W77 Y104 Y120 Q123F64-V101 HydrophobicContact CD1-CG2 3.96Å; F64-V101 HydrophobicContact CE1-CG2 3.75Å; W77-V101 VanDerWaalsContact CH2-O 3.22Å; W77-V101 WeakPolarHBondContact CH2-O 3.21Å; W77-V101 WeakPolarHBondContact CZ2-O 3.17Å; V101-Y104 HydrophobicContact CB-CE1 4.37Å; V101-Y104 HydrophobicContact CB-CE2 4.32Å; V101-Y104 HydrophobicContact CG1-CD1 4.39Å; V101-Y104 HydrophobicContact CG1-CD2 4.25Å; V101-Y104 HydrophobicContact CG1-CE1 4.23Å; V101-Y104 HydrophobicContact CG1-CE2 4.08Å; V101-Y104 HydrophobicContact CG1-CG 4.39Å; V101-Y120 HydrophobicContact CG1-CD2 4.25Å; V101-Y120 HydrophobicContact CG1-CE2 3.63Å; V101-Y120 HydrophobicContact CG2-CD2 3.75Å; V101-Y120 HydrophobicContact CG2-CE2 3.99Å; V101-Y120 HydrophobicContact CG2-CG 4.34Å; V101-Q123 HydrophobicContact CB-CB 4.45Å; V101-Q123 HydrophobicContact CB-CG 3.92Å; V101-Q123 HydrophobicContact CG2-CB 3.78Å; V101-Q123 HydrophobicContact CG2-CG 3.81Å
102L94.1Very high91Very high12 Ų1238.6 Ų38.66%0.06320%0.204CC..  trans-94.8-36.4173.8171.360.2000111.3Y63 W77 R300Y63-L102 PolarHBondContact O-N 3.1Å; W77-L102 HydrophobicContact CD2-CD1 3.8Å; W77-L102 HydrophobicContact CE3-CB 4.4Å; W77-L102 HydrophobicContact CE3-CD1 4.45Å; W77-L102 HydrophobicContact CG-CD1 3.86Å; W77-L102 HydrophobicContact CH2-CB 4.3Å; W77-L102 HydrophobicContact CZ2-CB 4.4Å; W77-L102 HydrophobicContact CZ2-CD1 4.27Å; W77-L102 HydrophobicContact CZ3-CB 4.28Å; L102-R300 PolarHBondContact O-NH2 2.89Å
103F93.1Very high91.2Very high16 Ų1639.9 Ų39.97%0.0721%0.209CC..  trans-119.4103.7-174.3-58.7-67.3000111.8T62 Y63 Y120 A299 R300 F303 L329T62-F103 WeakPolarHBondContact O-CD2 3.38Å; Y63-F103 PolarHBondContact O-N 3.44Å; F103-Y120 PolarHBondContact O-OH 3.29Å; F103-A299 HydrophobicContact CE1-CB 4.19Å; F103-A299 HydrophobicContact CZ-CB 4.02Å; F103-R300 HydrophobicContact CD1-CG 4.27Å; F103-R300 HydrophobicContact CE1-CG 4.15Å; F103-F303 HydrophobicContact CB-CD1 3.91Å; F103-F303 HydrophobicContact CB-CD2 3.82Å; F103-F303 HydrophobicContact CB-CE1 3.67Å; F103-F303 HydrophobicContact CB-CE2 3.58Å; F103-F303 HydrophobicContact CB-CG 3.97Å; F103-F303 HydrophobicContact CB-CZ 3.48Å; F103-F303 VanDerWaalsContact CB-CZ 3.48Å; F103-F303 HydrophobicContact CD1-CB 3.77Å; F103-F303 AromaticContact CD1-CD1 3.99Å; F103-F303 HydrophobicContact CD1-CD1 3.99Å; F103-F303 HydrophobicContact CD1-CD2 4.12Å; F103-F303 AromaticContact CD1-CG 3.71Å; F103-F303 HydrophobicContact CD1-CG 3.71Å; F103-F303 HydrophobicContact CD2-CD2 4.09Å; F103-F303 HydrophobicContact CD2-CE2 4.41Å; F103-F303 HydrophobicContact CD2-CG 4.5Å; F103-F303 HydrophobicContact CE1-CB 3.87Å; F103-F303 HydrophobicContact CE1-CG 4.3Å; F103-F303 HydrophobicContact CG-CB 4.29Å; F103-F303 HydrophobicContact CG-CD1 4.17Å; F103-F303 AromaticContact CG-CD2 3.76Å; F103-F303 HydrophobicContact CG-CD2 3.76Å; F103-F303 HydrophobicContact CG-CE1 4.41Å; F103-F303 HydrophobicContact CG-CE2 4.03Å; F103-F303 AromaticContact CG-CG 3.82Å; F103-F303 HydrophobicContact CG-CG 3.82Å; F103-F303 HydrophobicContact CG-CZ 4.34Å; F103-F303 HydrophobicContact CZ-CB 4.44Å; F103-L329 HydrophobicContact CE2-CD1 4.45Å
104Y92.5Very high91.5Very high24 Ų2440.4 Ų40.49%0.09421%0.211CC..  trans-76.8149.3173-63.3-98.2000110V101 Y120 Q123 L124 D127 Y217 G218 L238 F303V101-Y104 HydrophobicContact CB-CE1 4.37Å; V101-Y104 HydrophobicContact CB-CE2 4.32Å; V101-Y104 HydrophobicContact CG1-CD1 4.39Å; V101-Y104 HydrophobicContact CG1-CD2 4.25Å; V101-Y104 HydrophobicContact CG1-CE1 4.23Å; V101-Y104 HydrophobicContact CG1-CE2 4.08Å; V101-Y104 HydrophobicContact CG1-CG 4.39Å; Y104-Y120 WeakPolarHBondContact CA-OH 3.32Å; Y104-Y120 HydrophobicContact CD1-CE1 4.48Å; Y104-Q123 HydrophobicContact CE1-CG 4.44Å; Y104-Q123 WeakPolarHBondContact OH-CG 3.47Å; Y104-L124 HydrophobicContact CD1-CD2 4.1Å; Y104-L124 HydrophobicContact CE1-CD2 3.71Å; Y104-D127 PolarHBondContact OH-OD2 2.99Å; Y104-Y217 HydrophobicContact CD1-CD2 4.3Å; Y104-Y217 AromaticContact CD1-CE2 3.85Å; Y104-Y217 HydrophobicContact CD1-CE2 3.85Å; Y104-G218 VanDerWaalsContact CG-CA 3.44Å; Y104-L238 WeakPolarHBondContact O-CD2 3.48Å; Y104-F303 WeakPolarHBondContact O-CE1 3.39Å
105I91.6Very high92.1Very high0 Ų037.8 Ų37.80%020%0.2CC..  trans-114.7153.6-179.361.9173.7000112.6Y63 S107 Q110 L111 Y120 Y217 F303Y63-I105 HydrophobicContact CD1-CG2 4Å; Y63-I105 HydrophobicContact CE1-CG2 3.61Å; I105-S107 VanDerWaalsContact C-N 3.28Å; I105-S107 WeakPolarHBondContact CD1-O 3.33Å; I105-S107 PolarHBondContact O-N 2.82Å; I105-Q110 HydrophobicContact CD1-CB 3.95Å; I105-L111 HydrophobicContact CD1-CD2 3.59Å; I105-L111 HydrophobicContact CD1-CG 3.78Å; I105-Y120 HydrophobicContact CG1-CE1 4.41Å; I105-Y120 PolarHBondContact N-OH 2.9Å; I105-Y120 VanDerWaalsContact N-OH 3.11Å; I105-Y217 WeakPolarHBondContact O-CE1 3.18Å; I105-Y217 PolarHBondContact O-OH 3.2Å; I105-F303 HydrophobicContact CG2-CE1 4.25Å; I105-F303 HydrophobicContact CG2-CZ 3.8Å
106P87.8Confident92.8Very high83 Ų8333.9 Ų33.954%0.53917%0.174SC..SBendtrans-70.9-13.9-176.2-19.433.5000116L238P106-L238 HydrophobicContact CB-CD1 4.41Å; P106-L238 HydrophobicContact CG-CD1 4.4Å
107S89.8Confident93.1Very high30 Ų3035.7 Ų35.721%0.2118%0.18CC..  trans-150.5124.5166.5-177.10000110.5I105 T109 Q110 E212I105-S107 VanDerWaalsContact C-N 3.28Å; I105-S107 WeakPolarHBondContact CD1-O 3.33Å; I105-S107 PolarHBondContact O-N 2.82Å; S107-T109 PolarHBondContact O-N 3.13Å; S107-T109 VanDerWaalsContact O-N 3.17Å; S107-T109 PolarHBondContact OG-OG1 2.9Å; S107-Q110 WeakPolarHBondContact O-CG 3.16Å; S107-Q110 PolarHBondContact O-N 3.28Å; S107-E212 VanDerWaalsContact CA-OE2 3.24Å; S107-E212 WeakPolarHBondContact CA-OE2 3.43Å
108V92.4Very high93.2Very high0 Ų039.8 Ų39.80%020%0.196CC..G310 helixtrans-65.9-17.3-175.6-60.90000113.5Q110 L111 Y120 M205 M208 Q209 E212V108-Q110 PolarHBondContact O-N 3.23Å; V108-L111 WeakPolarHBondContact O-CB 3.37Å; V108-L111 WeakPolarHBondContact O-CG 3.33Å; V108-L111 PolarHBondContact O-N 3.44Å; V108-Y120 HydrophobicContact CG1-CD1 4.41Å; V108-Y120 HydrophobicContact CG1-CE1 4.39Å; V108-M205 HydrophobicContact CG2-SD 4.16Å; V108-M208 HydrophobicContact CB-CB 4.13Å; V108-M208 HydrophobicContact CB-SD 4.47Å; V108-M208 HydrophobicContact CG1-CB 4.09Å; V108-M208 HydrophobicContact CG2-CB 3.78Å; V108-Q209 HydrophobicContact CG2-CG 3.81Å; V108-E212 HydrophobicContact CG1-CB 4.36Å; V108-E212 WeakPolarHBondContact CG1-OE2 3.23Å; V108-E212 WeakPolarHBondContact CG2-OE2 2.81Å; V108-E212 PolarHBondContact N-OE2 2.95Å
109T90Very high93.2Very high77 Ų7738.4 Ų38.447%0.47219%0.191SC..G310 helixtrans-65.9-12175.362.40000114.2S107 L111 M205S107-T109 PolarHBondContact O-N 3.13Å; S107-T109 VanDerWaalsContact O-N 3.17Å; S107-T109 PolarHBondContact OG-OG1 2.9Å; T109-L111 VanDerWaalsContact C-N 3.34Å; T109-M205 HydrophobicContact CG2-SD 4.31Å
110Q89.8Confident93.2Very high71 Ų7138.2 Ų38.233%0.33219%0.19SC..G310 helixtrans-78.8-16.3175.6-55.8171.710.100112.7I105 S107 V108 Q112I105-Q110 HydrophobicContact CD1-CB 3.95Å; S107-Q110 WeakPolarHBondContact O-CG 3.16Å; S107-Q110 PolarHBondContact O-N 3.28Å; V108-Q110 PolarHBondContact O-N 3.23Å; Q110-Q112 PolarHBondContact O-N 2.86Å; Q110-Q112 PolarHBondContact O-NE2 2.89Å
111L92.3Very high93.2Very high3 Ų338.2 Ų38.22%0.01619%0.19CC..  trans-69.4119.4178.3-60.2179.3000110.6Y63 I105 V108 T109 T116 R117 Y120Y63-L111 HydrophobicContact CD2-CD2 3.94Å; Y63-L111 HydrophobicContact CE2-CD2 3.64Å; I105-L111 HydrophobicContact CD1-CD2 3.59Å; I105-L111 HydrophobicContact CD1-CG 3.78Å; V108-L111 WeakPolarHBondContact O-CB 3.37Å; V108-L111 WeakPolarHBondContact O-CG 3.33Å; V108-L111 PolarHBondContact O-N 3.44Å; T109-L111 VanDerWaalsContact C-N 3.34Å; L111-T116 HydrophobicContact CB-CG2 4.45Å; L111-T116 HydrophobicContact CD1-CG2 4.36Å; L111-T116 HydrophobicContact CD2-CG2 3.85Å; L111-T116 HydrophobicContact CG-CG2 4.44Å; L111-R117 HydrophobicContact CB-CG 3.72Å; L111-R117 HydrophobicContact CD1-CG 4.17Å; L111-Y120 HydrophobicContact CD1-CD1 3.89Å; L111-Y120 HydrophobicContact CD1-CD2 3.81Å; L111-Y120 HydrophobicContact CD1-CE1 4.24Å; L111-Y120 HydrophobicContact CD1-CE2 4.17Å; L111-Y120 HydrophobicContact CD1-CG 3.63Å; L111-Y120 HydrophobicContact CD2-CE2 4.26Å
112Q91.5Very high93.2Very high146 Ų14639.1 Ų39.168%0.68219%0.194SC*.  trans-87.1-38.4-169.9-61.2-58.8-65.600113.2E60 Q110E60-Q112 PolarHBondContact OE1-N 3.43Å; E60-Q112 PolarHBondContact OE2-N 2.89Å; Q110-Q112 PolarHBondContact O-N 2.86Å; Q110-Q112 PolarHBondContact O-NE2 2.89Å
113Q92.3Very high93.3Very high36 Ų3638.8 Ų38.817%0.16819%0.193CC..  trans-89.7137.1178.4-54.3-179.2-98.400111.8E57 R59 E60 I115 T116 R117E57-Q113 PolarHBondContact O-NE2 3.27Å; R59-Q113 VanDerWaalsContact CA-OE1 3.27Å; E60-Q113 HydrophobicContact CG-CG 4.41Å; E60-Q113 WeakPolarHBondContact OE2-CB 3.49Å; E60-Q113 WeakPolarHBondContact OE2-CG 3.24Å; E60-Q113 PolarHBondContact OE2-N 3.45Å; Q113-I115 VanDerWaalsContact C-N 3.33Å; Q113-I115 HydrophobicContact CB-CG2 4.02Å; Q113-I115 PolarHBondContact O-N 3.12Å; Q113-T116 WeakPolarHBondContact CB-OG1 3.48Å; Q113-T116 WeakPolarHBondContact O-CB 3.22Å; Q113-T116 PolarHBondContact O-N 2.91Å; Q113-R117 PolarHBondContact O-N 3.4Å; Q113-R117 VanDerWaalsContact O-N 3.08Å
114E92.4Very high93.5Very high111 Ų11138 Ų3852%0.51919%0.189SC..Hα-helixtrans-56.6-43.2172.3-170.4168.9173.900112.8T116 R117 Y118 P201E114-T116 VanDerWaalsContact C-N 3.3Å; E114-T116 PolarHBondContact O-N 3Å; E114-R117 WeakPolarHBondContact O-CB 3.17Å; E114-R117 PolarHBondContact O-N 2.93Å; E114-R117 VanDerWaalsContact O-N 3.12Å; E114-Y118 PolarHBondContact O-N 3.15Å; E114-P201 WeakPolarHBondContact OE1-CG 3.29Å
115I94.2Very high93.6Very high52 Ų5238.5 Ų38.527%0.26719%0.192SC..Hα-helixtrans-64.2-31174.7-175.956.5000113.3L56 L58 Q113 Y118 Q119L56-I115 WeakPolarHBondContact O-CG1 3.43Å; L58-I115 HydrophobicContact CD2-CG1 4.04Å; L58-I115 HydrophobicContact CD2-CG2 4.1Å; L58-I115 HydrophobicContact CG-CG1 4.38Å; Q113-I115 VanDerWaalsContact C-N 3.33Å; Q113-I115 HydrophobicContact CB-CG2 4.02Å; Q113-I115 PolarHBondContact O-N 3.12Å; I115-Y118 HydrophobicContact CD1-CD1 4.14Å; I115-Q119 HydrophobicContact CD1-CG 4.22Å; I115-Q119 VanDerWaalsContact O-CG 3.27Å; I115-Q119 WeakPolarHBondContact O-CG 3.4Å; I115-Q119 PolarHBondContact O-N 2.61Å; I115-Q119 VanDerWaalsContact O-N 3.11Å
116T95.5Very high93.7Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-66.6-43.8172.4-55.70000110.5E60 Y63 F64 L111 Q113 E114 Q119 Y120E60-T116 HydrophobicContact CB-CG2 3.99Å; E60-T116 WeakPolarHBondContact OE2-CB 3.44Å; E60-T116 PolarHBondContact OE2-OG1 3.17Å; Y63-T116 HydrophobicContact CD2-CG2 4.14Å; F64-T116 HydrophobicContact CE2-CG2 3.97Å; F64-T116 HydrophobicContact CZ-CG2 4.02Å; L111-T116 HydrophobicContact CB-CG2 4.45Å; L111-T116 HydrophobicContact CD1-CG2 4.36Å; L111-T116 HydrophobicContact CD2-CG2 3.85Å; L111-T116 HydrophobicContact CG-CG2 4.44Å; Q113-T116 WeakPolarHBondContact CB-OG1 3.48Å; Q113-T116 WeakPolarHBondContact O-CB 3.22Å; Q113-T116 PolarHBondContact O-N 2.91Å; E114-T116 VanDerWaalsContact C-N 3.3Å; E114-T116 PolarHBondContact O-N 3Å; T116-Q119 PolarHBondContact O-N 2.71Å; T116-Y120 WeakPolarHBondContact O-CB 3.22Å; T116-Y120 PolarHBondContact O-N 3.29Å
117R95.8Very high93.9Very high51 Ų5137.3 Ų37.319%0.19218%0.178CC..Hα-helixtrans-60.6-48.1175.8-65.6-169.6-52.5-127.44.9111.7L111 Q113 E114 Q119 Y120 Y121 M205 M208L111-R117 HydrophobicContact CB-CG 3.72Å; L111-R117 HydrophobicContact CD1-CG 4.17Å; Q113-R117 PolarHBondContact O-N 3.4Å; Q113-R117 VanDerWaalsContact O-N 3.08Å; E114-R117 WeakPolarHBondContact O-CB 3.17Å; E114-R117 PolarHBondContact O-N 2.93Å; E114-R117 VanDerWaalsContact O-N 3.12Å; R117-Q119 PolarHBondContact O-N 3.2Å; R117-Y120 CarbonylContact O-C 3.42Å; R117-Y120 WeakPolarHBondContact O-CA 3.39Å; R117-Y120 VanDerWaalsContact O-CB 3.25Å; R117-Y120 WeakPolarHBondContact O-CB 3.35Å; R117-Y120 PolarHBondContact O-N 2.95Å; R117-Y121 PolarHBondContact O-N 2.91Å; R117-M205 VanDerWaalsContact CD-CE 3.46Å; R117-M208 HydrophobicContact CB-CE 3.77Å; R117-M208 HydrophobicContact CB-SD 4.48Å; R117-M208 HydrophobicContact CG-CE 4.09Å
118Y96.3Very high94.1Very high86 Ų8636 Ų3634%0.33717%0.169SC..Hα-helixtrans-59.5-45.5178.5179.2-120.9000112.3E114 I115 Y120 Y121 L122 E204E114-Y118 PolarHBondContact O-N 3.15Å; I115-Y118 HydrophobicContact CD1-CD1 4.14Å; Y118-Y120 VanDerWaalsContact C-N 3.3Å; Y118-Y120 PolarHBondContact O-N 2.84Å; Y118-Y121 AromaticContact CD2-CD1 3.99Å; Y118-Y121 HydrophobicContact CD2-CD1 3.99Å; Y118-Y121 HydrophobicContact CE2-CD1 4.15Å; Y118-Y121 HydrophobicContact CE2-CE1 4.34Å; Y118-Y121 PolarHBondContact O-N 2.93Å; Y118-L122 HydrophobicContact CD1-CD1 4.09Å; Y118-L122 HydrophobicContact CD2-CG 4.44Å; Y118-L122 HydrophobicContact CE1-CD1 3.66Å; Y118-L122 HydrophobicContact CE1-CG 4.47Å; Y118-L122 HydrophobicContact CE2-CD1 4.15Å; Y118-L122 HydrophobicContact CE2-CD2 4.21Å; Y118-L122 HydrophobicContact CE2-CG 4.1Å; Y118-L122 WeakPolarHBondContact O-CG 3.32Å; Y118-L122 PolarHBondContact O-N 2.88Å; Y118-E204 VanDerWaalsContact CA-OE2 3.31Å; Y118-E204 WeakPolarHBondContact CA-OE2 3.46Å; Y118-E204 WeakPolarHBondContact CD2-OE1 3.29Å
119Q96.4Very high94.1Very high4 Ų437.5 Ų37.52%0.01918%0.177CC..Hα-helixtrans-64.7-33.4174.7-64.1-65.6-50.300112.2L30 L58 F64 F99 I115 T116 R117 Q123L30-Q119 HydrophobicContact CD1-CB 4.3Å; L30-Q119 WeakPolarHBondContact CD1-O 3.35Å; L58-Q119 HydrophobicContact CD1-CG 4.48Å; L58-Q119 HydrophobicContact CD2-CG 4.49Å; F64-Q119 HydrophobicContact CE1-CB 3.69Å; F64-Q119 HydrophobicContact CZ-CB 3.82Å; F99-Q119 HydrophobicContact CE1-CG 4.48Å; I115-Q119 HydrophobicContact CD1-CG 4.22Å; I115-Q119 VanDerWaalsContact O-CG 3.27Å; I115-Q119 WeakPolarHBondContact O-CG 3.4Å; I115-Q119 PolarHBondContact O-N 2.61Å; I115-Q119 VanDerWaalsContact O-N 3.11Å; T116-Q119 PolarHBondContact O-N 2.71Å; R117-Q119 PolarHBondContact O-N 3.2Å; Q119-Q123 PolarHBondContact O-N 3.17Å; Q119-Q123 VanDerWaalsContact O-N 3.14Å
120Y96.5Very high94Very high0 Ų037.7 Ų37.70%017%0.173CC..Hα-helixtrans-65.8-46.7172.1-122.5-109.4000112.3Y63 F64 V101 F103 Y104 I105 V108 L111 T116 R117 Y118 L122 Q123 L124 M208Y63-Y120 HydrophobicContact CG-CE2 4.43Å; F64-Y120 HydrophobicContact CZ-CD2 4.5Å; V101-Y120 HydrophobicContact CG1-CD2 4.25Å; V101-Y120 HydrophobicContact CG1-CE2 3.63Å; V101-Y120 HydrophobicContact CG2-CD2 3.75Å; V101-Y120 HydrophobicContact CG2-CE2 3.99Å; V101-Y120 HydrophobicContact CG2-CG 4.34Å; F103-Y120 PolarHBondContact O-OH 3.29Å; Y104-Y120 WeakPolarHBondContact CA-OH 3.32Å; Y104-Y120 HydrophobicContact CD1-CE1 4.48Å; I105-Y120 HydrophobicContact CG1-CE1 4.41Å; I105-Y120 PolarHBondContact N-OH 2.9Å; I105-Y120 VanDerWaalsContact N-OH 3.11Å; V108-Y120 HydrophobicContact CG1-CD1 4.41Å; V108-Y120 HydrophobicContact CG1-CE1 4.39Å; L111-Y120 HydrophobicContact CD1-CD1 3.89Å; L111-Y120 HydrophobicContact CD1-CD2 3.81Å; L111-Y120 HydrophobicContact CD1-CE1 4.24Å; L111-Y120 HydrophobicContact CD1-CE2 4.17Å; L111-Y120 HydrophobicContact CD1-CG 3.63Å; L111-Y120 HydrophobicContact CD2-CE2 4.26Å; T116-Y120 WeakPolarHBondContact O-CB 3.22Å; T116-Y120 PolarHBondContact O-N 3.29Å; R117-Y120 CarbonylContact O-C 3.42Å; R117-Y120 WeakPolarHBondContact O-CA 3.39Å; R117-Y120 VanDerWaalsContact O-CB 3.25Å; R117-Y120 WeakPolarHBondContact O-CB 3.35Å; R117-Y120 PolarHBondContact O-N 2.95Å; Y118-Y120 VanDerWaalsContact C-N 3.3Å; Y118-Y120 PolarHBondContact O-N 2.84Å; Y120-L122 PolarHBondContact O-N 3.49Å; Y120-Q123 PolarHBondContact O-N 3.18Å; Y120-L124 HydrophobicContact CD1-CD1 4Å; Y120-L124 WeakPolarHBondContact O-CB 3.33Å; Y120-L124 WeakPolarHBondContact O-CG 3.32Å; Y120-L124 PolarHBondContact O-N 2.95Å; Y120-M208 HydrophobicContact CD1-SD 4.44Å
121Y97.2Very high94Very high1 Ų136.2 Ų36.20%0.00418%0.176CC..Hα-helixtrans-55.3-49.3174.7157.4-111.2000111R117 Y118 Q123 L124 K125 A147 A150 D151 E204 Y207R117-Y121 PolarHBondContact O-N 2.91Å; Y118-Y121 AromaticContact CD2-CD1 3.99Å; Y118-Y121 HydrophobicContact CD2-CD1 3.99Å; Y118-Y121 HydrophobicContact CE2-CD1 4.15Å; Y118-Y121 HydrophobicContact CE2-CE1 4.34Å; Y118-Y121 PolarHBondContact O-N 2.93Å; Y121-Q123 VanDerWaalsContact C-N 3.35Å; Y121-Q123 PolarHBondContact O-N 3.2Å; Y121-L124 PolarHBondContact O-N 2.93Å; Y121-K125 HydrophobicContact CE1-CD 4.4Å; Y121-K125 HydrophobicContact CE2-CB 4.42Å; Y121-K125 HydrophobicContact CE2-CD 4.05Å; Y121-K125 WeakPolarHBondContact O-CB 3.3Å; Y121-K125 PolarHBondContact O-N 2.92Å; Y121-K125 PolarHBondContact OH-NZ 3.17Å; Y121-K125 VanDerWaalsContact OH-NZ 3.09Å; Y121-A147 HydrophobicContact CE2-CB 4.41Å; Y121-A147 WeakPolarHBondContact OH-CA 3.33Å; Y121-A147 PolarHBondContact OH-O 2.63Å; Y121-A150 HydrophobicContact CE1-CB 4.27Å; Y121-A150 HydrophobicContact CE2-CB 4.42Å; Y121-D151 PolarHBondContact OH-OD1 3.24Å; Y121-E204 HydrophobicContact CD1-CG 3.73Å; Y121-E204 HydrophobicContact CD2-CG 4.38Å; Y121-E204 HydrophobicContact CE1-CG 4.13Å; Y121-E204 HydrophobicContact CG-CB 4.24Å; Y121-E204 HydrophobicContact CG-CG 3.86Å; Y121-Y207 AromaticContact CD2-CD1 3.67Å; Y121-Y207 HydrophobicContact CD2-CD1 3.67Å; Y121-Y207 HydrophobicContact CD2-CD2 4.48Å; Y121-Y207 HydrophobicContact CD2-CE1 4.28Å; Y121-Y207 AromaticContact CD2-CG 3.82Å; Y121-Y207 HydrophobicContact CD2-CG 3.82Å; Y121-Y207 AromaticContact CE2-CD1 3.98Å; Y121-Y207 HydrophobicContact CE2-CD1 3.98Å; Y121-Y207 HydrophobicContact CE2-CD2 4.01Å; Y121-Y207 HydrophobicContact CE2-CE1 4.41Å; Y121-Y207 HydrophobicContact CE2-CE2 4.43Å; Y121-Y207 AromaticContact CE2-CG 3.79Å; Y121-Y207 HydrophobicContact CE2-CG 3.79Å
122L96.7Very high93.8Very high18 Ų1840.8 Ų40.89%0.09419%0.193CC..Hα-helixtrans-60.2-41.2178-69.1173.7000112.7L30 N31 Y118 Y120 K126L30-L122 HydrophobicContact CB-CB 3.86Å; L30-L122 HydrophobicContact CB-CD1 4.26Å; N31-L122 HydrophobicContact CB-CD1 4.03Å; Y118-L122 HydrophobicContact CD1-CD1 4.09Å; Y118-L122 HydrophobicContact CD2-CG 4.44Å; Y118-L122 HydrophobicContact CE1-CD1 3.66Å; Y118-L122 HydrophobicContact CE1-CG 4.47Å; Y118-L122 HydrophobicContact CE2-CD1 4.15Å; Y118-L122 HydrophobicContact CE2-CD2 4.21Å; Y118-L122 HydrophobicContact CE2-CG 4.1Å; Y118-L122 WeakPolarHBondContact O-CG 3.32Å; Y118-L122 PolarHBondContact O-N 2.88Å; Y120-L122 PolarHBondContact O-N 3.49Å; L122-K126 WeakPolarHBondContact O-CB 3.39Å; L122-K126 PolarHBondContact O-N 3.45Å
123Q96.3Very high93.8Very high6 Ų634.1 Ų34.13%0.02816%0.162CC..Hα-helixtrans-64-48.8173.7178.374.471.200111.6L30 V101 Y104 Q119 Y120 Y121 K125 K126 D127L30-Q123 HydrophobicContact CD1-CB 4.13Å; L30-Q123 HydrophobicContact CD2-CB 4.13Å; V101-Q123 HydrophobicContact CB-CB 4.45Å; V101-Q123 HydrophobicContact CB-CG 3.92Å; V101-Q123 HydrophobicContact CG2-CB 3.78Å; V101-Q123 HydrophobicContact CG2-CG 3.81Å; Y104-Q123 HydrophobicContact CE1-CG 4.44Å; Y104-Q123 WeakPolarHBondContact OH-CG 3.47Å; Q119-Q123 PolarHBondContact O-N 3.17Å; Q119-Q123 VanDerWaalsContact O-N 3.14Å; Y120-Q123 PolarHBondContact O-N 3.18Å; Y121-Q123 VanDerWaalsContact C-N 3.35Å; Y121-Q123 PolarHBondContact O-N 3.2Å; Q123-K125 VanDerWaalsContact C-N 3.33Å; Q123-K125 PolarHBondContact O-N 2.83Å; Q123-K126 CarbonylContact O-C 3.52Å; Q123-K126 WeakPolarHBondContact O-CB 3.5Å; Q123-K126 PolarHBondContact O-N 2.85Å; Q123-K126 VanDerWaalsContact O-N 3.16Å; Q123-D127 PolarHBondContact NE2-OD1 3.19Å; Q123-D127 PolarHBondContact O-N 3.49Å
124L95.8Very high93.6Very high0 Ų036.2 Ų36.20%018%0.178CC..Hα-helixtrans-65.8-37.6-177.2-70.5172.7000112.1Y104 Y120 Y121 D127 V128 I133 Y207 M208 V211 Y217Y104-L124 HydrophobicContact CD1-CD2 4.1Å; Y104-L124 HydrophobicContact CE1-CD2 3.71Å; Y120-L124 HydrophobicContact CD1-CD1 4Å; Y120-L124 WeakPolarHBondContact O-CB 3.33Å; Y120-L124 WeakPolarHBondContact O-CG 3.32Å; Y120-L124 PolarHBondContact O-N 2.95Å; Y121-L124 PolarHBondContact O-N 2.93Å; L124-D127 PolarHBondContact O-N 3.36Å; L124-V128 WeakPolarHBondContact O-CG2 3.46Å; L124-V128 PolarHBondContact O-N 3.1Å; L124-I133 HydrophobicContact CD2-CD1 3.89Å; L124-Y207 HydrophobicContact CB-CE1 4.39Å; L124-M208 HydrophobicContact CD1-CB 4.27Å; L124-M208 HydrophobicContact CD1-CG 4.02Å; L124-V211 HydrophobicContact CB-CG1 4.15Å; L124-V211 HydrophobicContact CD1-CG1 4.46Å; L124-V211 HydrophobicContact CD2-CG1 3.83Å; L124-V211 HydrophobicContact CG-CG1 4.37Å; L124-Y217 HydrophobicContact CD1-CE2 4.15Å; L124-Y217 HydrophobicContact CD2-CD2 3.72Å; L124-Y217 HydrophobicContact CD2-CE2 3.66Å
125K95.2Very high93.6Very high33 Ų3331.8 Ų31.814%0.14316%0.159CC..Hα-helixtrans-60.6-45.5171.1-178.1178.7-179.1179.60111.7Y121 Q123 V128 L129 A147 D151 Y207Y121-K125 HydrophobicContact CE1-CD 4.4Å; Y121-K125 HydrophobicContact CE2-CB 4.42Å; Y121-K125 HydrophobicContact CE2-CD 4.05Å; Y121-K125 WeakPolarHBondContact O-CB 3.3Å; Y121-K125 PolarHBondContact O-N 2.92Å; Y121-K125 PolarHBondContact OH-NZ 3.17Å; Y121-K125 VanDerWaalsContact OH-NZ 3.09Å; Q123-K125 VanDerWaalsContact C-N 3.33Å; Q123-K125 PolarHBondContact O-N 2.83Å; K125-V128 PolarHBondContact O-N 3.22Å; K125-L129 HydrophobicContact CG-CD1 4.12Å; K125-L129 WeakPolarHBondContact O-CB 3.29Å; K125-L129 VanDerWaalsContact O-CG 3.29Å; K125-L129 WeakPolarHBondContact O-CG 3.32Å; K125-L129 PolarHBondContact O-N 3.43Å; K125-A147 HydrophobicContact CD-CB 4.41Å; K125-D151 IonicContact NZ-OD1 3.68Å; K125-D151 PolarHBondContact NZ-OD1 3.42Å; K125-D151 IonicContact NZ-OD2 2.71Å; K125-D151 PolarHBondContact NZ-OD2 2.83Å; K125-Y207 WeakPolarHBondContact CA-OH 3.5Å; K125-Y207 HydrophobicContact CB-CE1 4.17Å
126K93.6Very high93.4Very high52 Ų5231.8 Ų31.823%0.22616%0.163CC..Hα-helixtrans-61.7-43.5173.4-178.4172.8-1771690112.1L122 Q123 V128 L129 E130L122-K126 WeakPolarHBondContact O-CB 3.39Å; L122-K126 PolarHBondContact O-N 3.45Å; Q123-K126 CarbonylContact O-C 3.52Å; Q123-K126 WeakPolarHBondContact O-CB 3.5Å; Q123-K126 PolarHBondContact O-N 2.85Å; Q123-K126 VanDerWaalsContact O-N 3.16Å; K126-V128 VanDerWaalsContact C-N 3.31Å; K126-V128 PolarHBondContact O-N 3.36Å; K126-L129 PolarHBondContact O-N 3.48Å; K126-E130 WeakPolarHBondContact CE-OE1 3.31Å; K126-E130 HydrophobicContact CG-CG 4.21Å; K126-E130 IonicContact NZ-OE1 3.35Å; K126-E130 WeakPolarHBondContact O-CB 3.42Å; K126-E130 WeakPolarHBondContact O-CG 3.23Å; K126-E130 PolarHBondContact O-N 2.75Å
127D92.9Very high93.1Very high6 Ų634.9 Ų34.93%0.03218%0.179CC..Hα-helixtrans-66.4-31.9-179.5-64.7-23.1000112.6Y104 Q123 L124 G131 R132 I133Y104-D127 PolarHBondContact OH-OD2 2.99Å; Q123-D127 PolarHBondContact NE2-OD1 3.19Å; Q123-D127 PolarHBondContact O-N 3.49Å; L124-D127 PolarHBondContact O-N 3.36Å; D127-G131 PolarHBondContact O-N 3.2Å; D127-R132 HydrophobicContact CB-CB 4.21Å; D127-R132 WeakPolarHBondContact O-CA 3.39Å; D127-R132 VanDerWaalsContact O-CB 3.32Å; D127-R132 WeakPolarHBondContact O-CB 3.45Å; D127-R132 PolarHBondContact O-N 2.89Å; D127-R132 WeakPolarHBondContact OD1-CD 3.41Å; D127-R132 IonicContact OD1-NE 3.79Å; D127-I133 HydrophobicContact CB-CD1 3.73Å; D127-I133 HydrophobicContact CB-CG1 3.94Å; D127-I133 PolarHBondContact O-N 3.22Å; D127-I133 VanDerWaalsContact O-N 3.09Å
128V93.6Very high92.8Very high4 Ų438 Ų382%0.02420%0.2CC..Hα-helixtrans-72-48.6171.4170.20000111L124 K125 K126 E130 G131 I133 L143 P171 V211L124-V128 WeakPolarHBondContact O-CG2 3.46Å; L124-V128 PolarHBondContact O-N 3.1Å; K125-V128 PolarHBondContact O-N 3.22Å; K126-V128 VanDerWaalsContact C-N 3.31Å; K126-V128 PolarHBondContact O-N 3.36Å; V128-E130 VanDerWaalsContact C-N 3.35Å; V128-E130 PolarHBondContact O-N 3.4Å; V128-G131 PolarHBondContact O-N 3.42Å; V128-I133 HydrophobicContact CG2-CB 4.05Å; V128-I133 HydrophobicContact CG2-CG2 4.26Å; V128-L143 HydrophobicContact CG1-CD1 4.29Å; V128-L143 HydrophobicContact CG2-CD1 4.21Å; V128-P171 WeakPolarHBondContact O-CG 3.14Å; V128-V211 HydrophobicContact CG2-CG1 4.32Å; V128-V211 HydrophobicContact CG2-CG2 4.15Å
129L91.7Very high92.7Very high30 Ų3038 Ų3816%0.15720%0.203CC..Hα-helixtrans-67.9-30.6-178.1-67.1174.1000113.6K125 K126 G131 A168 F170 P171 I172K125-L129 HydrophobicContact CG-CD1 4.12Å; K125-L129 WeakPolarHBondContact O-CB 3.29Å; K125-L129 VanDerWaalsContact O-CG 3.29Å; K125-L129 WeakPolarHBondContact O-CG 3.32Å; K125-L129 PolarHBondContact O-N 3.43Å; K126-L129 PolarHBondContact O-N 3.48Å; L129-G131 VanDerWaalsContact C-N 3.25Å; L129-G131 PolarHBondContact O-N 3.29Å; L129-A168 HydrophobicContact CD1-CB 4.34Å; L129-A168 WeakPolarHBondContact CD1-O 3.47Å; L129-A168 VanDerWaalsContact CD2-O 3.3Å; L129-A168 WeakPolarHBondContact CD2-O 3.39Å; L129-F170 WeakPolarHBondContact CD2-O 3.39Å; L129-P171 WeakPolarHBondContact O-CA 3.32Å; L129-I172 PolarHBondContact O-N 3.43Å
130E89.3Confident92.5Very high82 Ų8237.8 Ų37.838%0.38320%0.202SC..THydrogen-bonded Turntrans-82.65.2170.3-67.2-177170.200113.1K126 V128 R132K126-E130 WeakPolarHBondContact CE-OE1 3.31Å; K126-E130 HydrophobicContact CG-CG 4.21Å; K126-E130 IonicContact NZ-OE1 3.35Å; K126-E130 WeakPolarHBondContact O-CB 3.42Å; K126-E130 WeakPolarHBondContact O-CG 3.23Å; K126-E130 PolarHBondContact O-N 2.75Å; V128-E130 VanDerWaalsContact C-N 3.35Å; V128-E130 PolarHBondContact O-N 3.4Å; E130-R132 HydrophobicContact CB-CG 4.15Å; E130-R132 PolarHBondContact O-N 2.65Å; E130-R132 IonicContact OE2-CZ 3.9Å; E130-R132 IonicContact OE2-NE 3.83Å; E130-R132 PolarHBondContact OE2-NE 3.13Å; E130-R132 IonicContact OE2-NH2 2.98Å; E130-R132 PolarHBondContact OE2-NH2 3.38Å
131G88.3Confident92.3Very high39 Ų3938 Ų3840%0.40220%0.203SC..THydrogen-bonded Turntrans68.413.3176.100000115.6D127 V128 L129D127-G131 PolarHBondContact O-N 3.2Å; V128-G131 PolarHBondContact O-N 3.42Å; L129-G131 VanDerWaalsContact C-N 3.25Å; L129-G131 PolarHBondContact O-N 3.29Å
132R88.4Confident92.2Very high100 Ų10042.9 Ų42.938%0.37722%0.222SC..SBendtrans-69.6-35.9177-50.1179.6-175-128.9-0.6111.7D127 E130D127-R132 HydrophobicContact CB-CB 4.21Å; D127-R132 WeakPolarHBondContact O-CA 3.39Å; D127-R132 VanDerWaalsContact O-CB 3.32Å; D127-R132 WeakPolarHBondContact O-CB 3.45Å; D127-R132 PolarHBondContact O-N 2.89Å; D127-R132 WeakPolarHBondContact OD1-CD 3.41Å; D127-R132 IonicContact OD1-NE 3.79Å; E130-R132 HydrophobicContact CB-CG 4.15Å; E130-R132 PolarHBondContact O-N 2.65Å; E130-R132 IonicContact OE2-CZ 3.9Å; E130-R132 IonicContact OE2-NE 3.83Å; E130-R132 PolarHBondContact OE2-NE 3.13Å; E130-R132 IonicContact OE2-NH2 2.98Å; E130-R132 PolarHBondContact OE2-NH2 3.38Å
133I91.7Very high92.2Very high5 Ų542.2 Ų42.23%0.02622%0.218CC..SBendtrans-104120.2174-61.4176.4000108.2L124 D127 V128 V211 L214L124-I133 HydrophobicContact CD2-CD1 3.89Å; D127-I133 HydrophobicContact CB-CD1 3.73Å; D127-I133 HydrophobicContact CB-CG1 3.94Å; D127-I133 PolarHBondContact O-N 3.22Å; D127-I133 VanDerWaalsContact O-N 3.09Å; V128-I133 HydrophobicContact CG2-CB 4.05Å; V128-I133 HydrophobicContact CG2-CG2 4.26Å; I133-V211 HydrophobicContact CD1-CG1 3.53Å; I133-V211 HydrophobicContact CG2-CG1 4.19Å; I133-L214 HydrophobicContact CG2-CB 3.57Å; I133-L214 HydrophobicContact CG2-CD1 3.8Å; I133-L214 HydrophobicContact CG2-CG 4.35Å
134T88.5Confident92.1Very high81 Ų8142.1 Ų42.150%0.49722%0.219SC..BIsolated β-bridgetrans-87125.3-177.848.30000110.9E215T134-E215 PolarHBondContact N-O 3.29Å; T134-E215 PolarHBondContact OG1-O 3.1Å
135C91.1Very high92Very high18 Ų1842.1 Ų42.112%0.12222%0.219CC..  trans-118.4172.517542.40000110.9Q139 W174 L214C135-Q139 HydrophobicContact CB-CB 3.89Å; C135-W174 HydrophobicContact CB-CH2 4.36Å; C135-W174 VanDerWaalsContact O-CH2 3.27Å; C135-W174 WeakPolarHBondContact O-CH2 3.38Å; C135-W174 WeakPolarHBondContact O-CZ2 3.1Å; C135-W174 VanDerWaalsContact SG-CH2 3.53Å; C135-L214 HydrophobicContact CB-CD1 3.97Å
136S91.6Very high92Very high52 Ų5240.6 Ų40.636%0.36421%0.212SC..  trans-90.7167.316172.60000111.4D138 Q139 A140S136-D138 VanDerWaalsContact C-N 3.33Å; S136-D138 PolarHBondContact O-N 3.46Å; S136-Q139 WeakPolarHBondContact O-CB 3.34Å; S136-Q139 PolarHBondContact O-N 2.88Å; S136-Q139 VanDerWaalsContact O-N 3.16Å; S136-Q139 WeakPolarHBondContact OG-CG 3.39Å; S136-Q139 PolarHBondContact OG-N 3.47Å; S136-Q139 PolarHBondContact OG-OE1 3.2Å; S136-A140 PolarHBondContact O-N 2.9Å
137L88.5Confident92Very high64 Ų6438.6 Ų38.634%0.33521%0.205SC..Hα-helixtrans-56.9-44.9178.6-177.859.7000112.3Q139 A140 I141 W174 A184L137-Q139 VanDerWaalsContact C-N 3.33Å; L137-Q139 PolarHBondContact O-N 3.01Å; L137-A140 PolarHBondContact O-N 3.37Å; L137-I141 HydrophobicContact CD1-CD1 4.09Å; L137-I141 HydrophobicContact CD1-CG1 4.36Å; L137-I141 HydrophobicContact CG-CD1 3.91Å; L137-I141 WeakPolarHBondContact O-CB 3.22Å; L137-I141 VanDerWaalsContact O-CG1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.36Å; L137-I141 PolarHBondContact O-N 3.48Å; L137-W174 HydrophobicContact CD1-CZ3 4.45Å; L137-A184 HydrophobicContact CD1-CB 4.32Å
138D90.6Very high92.1Very high118 Ų11838.5 Ų38.563%0.63120%0.204SC*.Hα-helixtrans-65.9-35.1178.3-54-60.4000112.5S136 R142S136-D138 VanDerWaalsContact C-N 3.33Å; S136-D138 PolarHBondContact O-N 3.46Å; D138-R142 WeakPolarHBondContact O-CB 3.44Å; D138-R142 PolarHBondContact O-N 3.02Å
139Q93.3Very high92.1Very high84 Ų8438.3 Ų38.339%0.39320%0.203SC..Hα-helixtrans-68-44.2173.5-73.3171.9-25.100111.3C135 S136 L137 I141 R142 L143 L214C135-Q139 HydrophobicContact CB-CB 3.89Å; S136-Q139 WeakPolarHBondContact O-CB 3.34Å; S136-Q139 PolarHBondContact O-N 2.88Å; S136-Q139 VanDerWaalsContact O-N 3.16Å; S136-Q139 WeakPolarHBondContact OG-CG 3.39Å; S136-Q139 PolarHBondContact OG-N 3.47Å; S136-Q139 PolarHBondContact OG-OE1 3.2Å; L137-Q139 VanDerWaalsContact C-N 3.33Å; L137-Q139 PolarHBondContact O-N 3.01Å; Q139-I141 VanDerWaalsContact C-N 3.34Å; Q139-I141 PolarHBondContact O-N 3.21Å; Q139-R142 PolarHBondContact O-N 3.22Å; Q139-L143 WeakPolarHBondContact O-CB 3.28Å; Q139-L143 VanDerWaalsContact O-CG 3.28Å; Q139-L143 WeakPolarHBondContact O-CG 3.42Å; Q139-L143 PolarHBondContact O-N 3.14Å; Q139-L214 VanDerWaalsContact CD-CD2 3.5Å; Q139-L214 HydrophobicContact CG-CD2 4.45Å
140A92.3Very high92.2Very high1 Ų137.5 Ų37.51%0.00820%0.201CC..Hα-helixtrans-63-40.8176.900000111.6S136 L137 L143 A144 F170 W174S136-A140 PolarHBondContact O-N 2.9Å; L137-A140 PolarHBondContact O-N 3.37Å; A140-L143 PolarHBondContact O-N 2.93Å; A140-A144 VanDerWaalsContact O-CB 3.23Å; A140-A144 WeakPolarHBondContact O-CB 3.49Å; A140-A144 PolarHBondContact O-N 2.97Å; A140-F170 HydrophobicContact CB-CD1 4.08Å; A140-F170 HydrophobicContact CB-CE1 4.47Å; A140-W174 HydrophobicContact CB-CE3 4.42Å; A140-W174 HydrophobicContact CB-CH2 3.98Å; A140-W174 HydrophobicContact CB-CZ3 3.49Å; A140-W174 VanDerWaalsContact CB-CZ3 3.49Å
141I92.8Very high92.2Very high4 Ų437.2 Ų37.22%0.02120%0.202CC..Hα-helixtrans-60.7-47.9172.7-73.2167.1000110.8L137 Q139 A144 S145 F170 A184 K187 V188 L191L137-I141 HydrophobicContact CD1-CD1 4.09Å; L137-I141 HydrophobicContact CD1-CG1 4.36Å; L137-I141 HydrophobicContact CG-CD1 3.91Å; L137-I141 WeakPolarHBondContact O-CB 3.22Å; L137-I141 VanDerWaalsContact O-CG1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.36Å; L137-I141 PolarHBondContact O-N 3.48Å; Q139-I141 VanDerWaalsContact C-N 3.34Å; Q139-I141 PolarHBondContact O-N 3.21Å; I141-A144 PolarHBondContact O-N 3.46Å; I141-S145 PolarHBondContact O-N 3.43Å; I141-S145 PolarHBondContact O-OG 3.2Å; I141-S145 VanDerWaalsContact O-OG 3.06Å; I141-F170 HydrophobicContact CG1-CE1 3.81Å; I141-F170 HydrophobicContact CG1-CZ 4.11Å; I141-A184 HydrophobicContact CD1-CB 4Å; I141-A184 HydrophobicContact CG1-CB 4.12Å; I141-K187 HydrophobicContact CD1-CB 4.2Å; I141-K187 HydrophobicContact CD1-CD 3.9Å; I141-K187 HydrophobicContact CG2-CB 3.9Å; I141-V188 HydrophobicContact CB-CG2 4.33Å; I141-V188 HydrophobicContact CG1-CG2 4.41Å; I141-V188 HydrophobicContact CG2-CG2 4.03Å; I141-L191 HydrophobicContact CG2-CD1 3.6Å
142R94.2Very high92.2Very high103 Ų10339.5 Ų39.539%0.38920%0.201SC..Hα-helixtrans-59.4-48.8175.8170.3167.3-101.1-116.1-13111.5D138 Q139 S145 L146 E210D138-R142 WeakPolarHBondContact O-CB 3.44Å; D138-R142 PolarHBondContact O-N 3.02Å; Q139-R142 PolarHBondContact O-N 3.22Å; R142-S145 WeakPolarHBondContact CA-OG 3.49Å; R142-S145 PolarHBondContact O-N 3.23Å; R142-S145 PolarHBondContact O-OG 3Å; R142-L146 HydrophobicContact CG-CD1 4.11Å; R142-L146 PolarHBondContact O-N 3.41Å; R142-E210 WeakPolarHBondContact CD-OE1 3.21Å; R142-E210 IonicContact CZ-OE1 3.61Å; R142-E210 IonicContact NE-OE1 3.88Å; R142-E210 IonicContact NH1-OE1 2.71Å; R142-E210 PolarHBondContact NH1-OE1 3.44Å
143L95.8Very high92.2Very high4 Ų435.9 Ų35.92%0.02120%0.195CC..Hα-helixtrans-60-46.4177.8-73.2177.6000111.9V128 Q139 A140 S145 L146 A147 Y207 E210 V211 L214V128-L143 HydrophobicContact CG1-CD1 4.29Å; V128-L143 HydrophobicContact CG2-CD1 4.21Å; Q139-L143 WeakPolarHBondContact O-CB 3.28Å; Q139-L143 VanDerWaalsContact O-CG 3.28Å; Q139-L143 WeakPolarHBondContact O-CG 3.42Å; Q139-L143 PolarHBondContact O-N 3.14Å; A140-L143 PolarHBondContact O-N 2.93Å; L143-S145 PolarHBondContact O-N 3.09Å; L143-L146 PolarHBondContact O-N 2.73Å; L143-A147 WeakPolarHBondContact O-CB 3.41Å; L143-A147 PolarHBondContact O-N 3.48Å; L143-Y207 HydrophobicContact CB-CD2 4.23Å; L143-Y207 HydrophobicContact CB-CE2 3.62Å; L143-Y207 HydrophobicContact CD2-CD1 4.31Å; L143-Y207 HydrophobicContact CD2-CD2 3.82Å; L143-Y207 HydrophobicContact CD2-CE1 4.27Å; L143-Y207 HydrophobicContact CD2-CE2 3.78Å; L143-Y207 HydrophobicContact CD2-CG 4.07Å; L143-Y207 HydrophobicContact CG-CE2 4.23Å; L143-Y207 VanDerWaalsContact O-CD2 3.3Å; L143-Y207 WeakPolarHBondContact O-CD2 3.29Å; L143-Y207 WeakPolarHBondContact O-CE2 3.31Å; L143-E210 HydrophobicContact CD2-CB 3.88Å; L143-V211 HydrophobicContact CD1-CG2 3.85Å; L143-V211 HydrophobicContact CD2-CG2 3.57Å; L143-V211 HydrophobicContact CG-CG2 4.39Å; L143-L214 HydrophobicContact CD1-CD1 3.98Å
144A94.1Very high91.9Very high5 Ų538.9 Ų38.94%0.04121%0.211CC..Hα-helixtrans-58.3-46176.100000111.7A140 I141 L146 A147 V148 L169 F170 V188A140-A144 VanDerWaalsContact O-CB 3.23Å; A140-A144 WeakPolarHBondContact O-CB 3.49Å; A140-A144 PolarHBondContact O-N 2.97Å; I141-A144 PolarHBondContact O-N 3.46Å; A144-L146 VanDerWaalsContact C-N 3.34Å; A144-L146 PolarHBondContact O-N 3.38Å; A144-A147 PolarHBondContact O-N 3.31Å; A144-V148 VanDerWaalsContact O-CG2 3.28Å; A144-V148 WeakPolarHBondContact O-CG2 3.29Å; A144-V148 PolarHBondContact O-N 2.99Å; A144-L169 HydrophobicContact CB-CB 4.06Å; A144-L169 HydrophobicContact CB-CD2 4.4Å; A144-F170 HydrophobicContact CB-CE1 4.23Å; A144-V188 HydrophobicContact CB-CG1 4.22Å; A144-V188 HydrophobicContact CB-CG2 3.64Å
145S94.1Very high91.4Very high0 Ų036.7 Ų36.70%020%0.195CC..Hα-helixtrans-65.7-31.5177.255.20000114.3I141 R142 L143 Q149 L191 F195I141-S145 PolarHBondContact O-N 3.43Å; I141-S145 PolarHBondContact O-OG 3.2Å; I141-S145 VanDerWaalsContact O-OG 3.06Å; R142-S145 WeakPolarHBondContact CA-OG 3.49Å; R142-S145 PolarHBondContact O-N 3.23Å; R142-S145 PolarHBondContact O-OG 3Å; L143-S145 PolarHBondContact O-N 3.09Å; S145-Q149 PolarHBondContact O-N 2.82Å; S145-L191 WeakPolarHBondContact OG-CB 3.49Å; S145-F195 WeakPolarHBondContact OG-CE2 3.19Å
146L95.4Very high90.5Very high1 Ų139.8 Ų39.81%0.00521%0.21CC..Hα-helixtrans-72.4-40.5171.5-74.5168.7000112R142 L143 A144 V148 Q149 A150 F195 L206 Y207 E210R142-L146 HydrophobicContact CG-CD1 4.11Å; R142-L146 PolarHBondContact O-N 3.41Å; L143-L146 PolarHBondContact O-N 2.73Å; A144-L146 VanDerWaalsContact C-N 3.34Å; A144-L146 PolarHBondContact O-N 3.38Å; L146-V148 VanDerWaalsContact C-N 3.32Å; L146-V148 PolarHBondContact O-N 2.94Å; L146-Q149 PolarHBondContact O-N 3.4Å; L146-A150 WeakPolarHBondContact O-CB 3.48Å; L146-A150 PolarHBondContact O-N 2.86Å; L146-F195 HydrophobicContact CD2-CD1 4.07Å; L146-F195 HydrophobicContact CD2-CD2 3.99Å; L146-F195 HydrophobicContact CD2-CE1 3.78Å; L146-F195 HydrophobicContact CD2-CE2 3.68Å; L146-F195 HydrophobicContact CD2-CG 4.18Å; L146-F195 HydrophobicContact CD2-CZ 3.57Å; L146-F195 HydrophobicContact CG-CD2 4.4Å; L146-F195 HydrophobicContact CG-CE2 3.77Å; L146-F195 HydrophobicContact CG-CZ 3.86Å; L146-L206 HydrophobicContact CD1-CB 4.15Å; L146-L206 HydrophobicContact CD2-CB 3.92Å; L146-L206 HydrophobicContact CD2-CD1 4.17Å; L146-Y207 HydrophobicContact CB-CD2 4.11Å; L146-E210 HydrophobicContact CD1-CG 4.47Å
147A94.9Very high88.8Confident9 Ų948.3 Ų48.37%0.07423%0.234CC..Hα-helixtrans-65.5-34.9176.100000112.1Y121 K125 L143 A144 A150 D151 Y207Y121-A147 HydrophobicContact CE2-CB 4.41Å; Y121-A147 WeakPolarHBondContact OH-CA 3.33Å; Y121-A147 PolarHBondContact OH-O 2.63Å; K125-A147 HydrophobicContact CD-CB 4.41Å; L143-A147 WeakPolarHBondContact O-CB 3.41Å; L143-A147 PolarHBondContact O-N 3.48Å; A144-A147 PolarHBondContact O-N 3.31Å; A147-A150 PolarHBondContact O-N 3.09Å; A147-D151 VanDerWaalsContact O-CB 3.28Å; A147-D151 WeakPolarHBondContact O-CB 3.38Å; A147-D151 PolarHBondContact O-N 2.71Å; A147-Y207 HydrophobicContact CB-CD2 4.04Å; A147-Y207 HydrophobicContact CB-CE2 3.85Å
148V93.1Very high87.1Confident4 Ų454.9 Ų54.92%0.02426%0.256CS..Hα-helixtrans-66.9-43.5173.8171.40000111.2A144 L146 A150 D151 F152 F163 L164 L169 V188 Y192A144-V148 VanDerWaalsContact O-CG2 3.28Å; A144-V148 WeakPolarHBondContact O-CG2 3.29Å; A144-V148 PolarHBondContact O-N 2.99Å; L146-V148 VanDerWaalsContact C-N 3.32Å; L146-V148 PolarHBondContact O-N 2.94Å; V148-A150 VanDerWaalsContact C-N 3.31Å; V148-A150 PolarHBondContact O-N 3.17Å; V148-D151 PolarHBondContact O-N 3.05Å; V148-F152 HydrophobicContact CB-CD2 4.41Å; V148-F152 HydrophobicContact CG1-CD2 3.94Å; V148-F152 WeakPolarHBondContact O-CB 3.4Å; V148-F152 WeakPolarHBondContact O-CD2 3.1Å; V148-F152 PolarHBondContact O-N 2.87Å; V148-F163 HydrophobicContact CG1-CZ 4.33Å; V148-L164 HydrophobicContact CG1-CD2 3.88Å; V148-L164 HydrophobicContact CG2-CD2 3.78Å; V148-L169 HydrophobicContact CG2-CD2 3.7Å; V148-V188 HydrophobicContact CG2-CG1 4.4Å; V148-Y192 HydrophobicContact CB-CD2 4.48Å; V148-Y192 HydrophobicContact CB-CG 4.48Å; V148-Y192 HydrophobicContact CG1-CD1 3.51Å; V148-Y192 HydrophobicContact CG1-CD2 3.85Å; V148-Y192 HydrophobicContact CG1-CE1 3.47Å; V148-Y192 VanDerWaalsContact CG1-CE1 3.47Å; V148-Y192 HydrophobicContact CG1-CE2 3.8Å; V148-Y192 HydrophobicContact CG1-CG 3.72Å
149Q93.9Very high85.5Confident0 Ų052.3 Ų52.30%024%0.243CC..Hα-helixtrans-63.4-36.3173.6-175.677.229.500112S145 L146 G153 D154 Y192 F195 F198 A203S145-Q149 PolarHBondContact O-N 2.82Å; L146-Q149 PolarHBondContact O-N 3.4Å; Q149-G153 PolarHBondContact NE2-O 3.3Å; Q149-G153 VanDerWaalsContact O-CA 3.31Å; Q149-G153 WeakPolarHBondContact O-CA 3.4Å; Q149-G153 PolarHBondContact O-N 3.44Å; Q149-G153 PolarHBondContact OE1-O 2.96Å; Q149-D154 PolarHBondContact NE2-OD1 2.9Å; Q149-D154 VanDerWaalsContact NE2-OD1 3.11Å; Q149-Y192 HydrophobicContact CB-CD2 4.21Å; Q149-Y192 HydrophobicContact CB-CE2 4.22Å; Q149-F195 HydrophobicContact CB-CB 4.18Å; Q149-F195 HydrophobicContact CG-CB 3.94Å; Q149-F195 PolarHBondContact NE2-O 3.31Å; Q149-F195 VanDerWaalsContact NE2-O 3.16Å; Q149-F195 PolarHBondContact OE1-O 3.12Å; Q149-F198 HydrophobicContact CG-CB 4.31Å; Q149-F198 PolarHBondContact NE2-O 3.39Å; Q149-A203 HydrophobicContact CB-CB 4.06Å; Q149-A203 HydrophobicContact CG-CB 3.93Å
150A93.6Very high83.8Confident13 Ų1351.1 Ų51.111%0.10724%0.243CC..Hα-helixtrans-69.6-42.1176.100000113Y121 L146 A147 V148 A200 A203 E204Y121-A150 HydrophobicContact CE1-CB 4.27Å; Y121-A150 HydrophobicContact CE2-CB 4.42Å; L146-A150 WeakPolarHBondContact O-CB 3.48Å; L146-A150 PolarHBondContact O-N 2.86Å; A147-A150 PolarHBondContact O-N 3.09Å; V148-A150 VanDerWaalsContact C-N 3.31Å; V148-A150 PolarHBondContact O-N 3.17Å; A150-A200 WeakPolarHBondContact O-CB 3.34Å; A150-A203 HydrophobicContact CB-CB 3.96Å; A150-E204 HydrophobicContact CB-CG 4.09Å
151D90.5Very high82.6Confident76 Ų7655 Ų5541%0.40626%0.261SS..Hα-helixtrans-78.1-36-177-7210.1000113.4Y121 K125 A147 V148Y121-D151 PolarHBondContact OH-OD1 3.24Å; K125-D151 IonicContact NZ-OD1 3.68Å; K125-D151 PolarHBondContact NZ-OD1 3.42Å; K125-D151 IonicContact NZ-OD2 2.71Å; K125-D151 PolarHBondContact NZ-OD2 2.83Å; A147-D151 VanDerWaalsContact O-CB 3.28Å; A147-D151 WeakPolarHBondContact O-CB 3.38Å; A147-D151 PolarHBondContact O-N 2.71Å; V148-D151 PolarHBondContact O-N 3.05Å
152F88.7Confident81.6Confident87 Ų8760.5 Ų60.538%0.38229%0.287SS..Hα-helixtrans-119-8.2-168.7-57.5-76.6000114.5V148 F163 F167V148-F152 HydrophobicContact CB-CD2 4.41Å; V148-F152 HydrophobicContact CG1-CD2 3.94Å; V148-F152 WeakPolarHBondContact O-CB 3.4Å; V148-F152 WeakPolarHBondContact O-CD2 3.1Å; V148-F152 PolarHBondContact O-N 2.87Å; F152-F163 HydrophobicContact CD2-CE2 4.25Å; F152-F163 HydrophobicContact CE2-CE2 4.36Å; F152-F163 HydrophobicContact CG-CE2 4.43Å; F152-F167 HydrophobicContact CE1-CE1 4.31Å; F152-F167 HydrophobicContact CE1-CE2 4.17Å; F152-F167 AromaticContact CE1-CZ 3.86Å; F152-F167 HydrophobicContact CE1-CZ 3.86Å; F152-F167 HydrophobicContact CE2-CD2 4.46Å; F152-F167 HydrophobicContact CZ-CD1 4.02Å; F152-F167 AromaticContact CZ-CD2 3.96Å; F152-F167 HydrophobicContact CZ-CD2 3.96Å; F152-F167 AromaticContact CZ-CE1 3.72Å; F152-F167 HydrophobicContact CZ-CE1 3.72Å; F152-F167 AromaticContact CZ-CE2 3.66Å; F152-F167 HydrophobicContact CZ-CE2 3.66Å; F152-F167 HydrophobicContact CZ-CG 4.15Å; F152-F167 AromaticContact CZ-CZ 3.53Å; F152-F167 HydrophobicContact CZ-CZ 3.53Å
153G87.3Confident81Confident25 Ų2557.1 Ų57.126%0.25828%0.275SS..  trans77.5-138.7-176.900000112.7Q149 Y192Q149-G153 PolarHBondContact NE2-O 3.3Å; Q149-G153 VanDerWaalsContact O-CA 3.31Å; Q149-G153 WeakPolarHBondContact O-CA 3.4Å; Q149-G153 PolarHBondContact O-N 3.44Å; Q149-G153 PolarHBondContact OE1-O 2.96Å; G153-Y192 VanDerWaalsContact O-CE2 3.28Å; G153-Y192 WeakPolarHBondContact O-CE2 3.32Å; G153-Y192 PolarHBondContact O-OH 3.23Å
154D85.9Confident80.3Confident67 Ų6757 Ų5736%0.35828%0.275SS..SBendtrans-82.7129-170-12232.5000113.1Q149 N156 R196 G197Q149-D154 PolarHBondContact NE2-OD1 2.9Å; Q149-D154 VanDerWaalsContact NE2-OD1 3.11Å; D154-N156 PolarHBondContact O-N 2.83Å; D154-R196 VanDerWaalsContact CG-CG 3.41Å; D154-R196 WeakPolarHBondContact OD1-CA 3.35Å; D154-R196 WeakPolarHBondContact OD1-CG 3.4Å; D154-R196 WeakPolarHBondContact OD2-CG 3.34Å; D154-R196 IonicContact OD2-NE 3.5Å; D154-R196 PolarHBondContact OD2-NE 3.17Å; D154-R196 VanDerWaalsContact OD2-NE 3.16Å; D154-G197 PolarHBondContact OD1-N 3.11Å
155F78.8Confident79.6Confident35 Ų3563.2 Ų63.215%0.15430%0.303CS..  trans-53.2121.3175.3174.9-89.4000112.4R157 Y192 Q193F155-R157 HydrophobicContact CE1-CG 4.45Å; F155-Y192 HydrophobicContact CB-CD1 4.05Å; F155-Y192 HydrophobicContact CB-CD2 4.33Å; F155-Y192 HydrophobicContact CB-CE1 3.79Å; F155-Y192 HydrophobicContact CB-CE2 4.07Å; F155-Y192 HydrophobicContact CB-CG 4.3Å; F155-Y192 AromaticContact CD2-CD1 3.63Å; F155-Y192 HydrophobicContact CD2-CD1 3.63Å; F155-Y192 AromaticContact CD2-CE1 3.61Å; F155-Y192 HydrophobicContact CD2-CE1 3.61Å; F155-Y192 HydrophobicContact CD2-CG 4.49Å; F155-Y192 HydrophobicContact CG-CD1 4.3Å; F155-Y192 HydrophobicContact CG-CE1 4.19Å; F155-Y192 PolarHBondContact N-OH 2.94Å; F155-Q193 HydrophobicContact CB-CG 4.32Å; F155-Q193 HydrophobicContact CD1-CG 3.43Å; F155-Q193 VanDerWaalsContact CD1-CG 3.43Å; F155-Q193 HydrophobicContact CD2-CG 3.95Å; F155-Q193 HydrophobicContact CE1-CG 3.61Å; F155-Q193 HydrophobicContact CE2-CG 4.11Å; F155-Q193 HydrophobicContact CG-CG 3.61Å; F155-Q193 HydrophobicContact CZ-CG 3.95Å
156N72.4Confident78.9Confident83 Ų8370.9 Ų70.944%0.44434%0.336SS..  trans-105.8144.2176.3-166.13.5000111.3D154 Y158 D159D154-N156 PolarHBondContact O-N 2.83Å; N156-Y158 PolarHBondContact O-N 2.95Å; N156-Y158 VanDerWaalsContact O-N 3.07Å; N156-D159 WeakPolarHBondContact CB-OD2 3.18Å; N156-D159 PolarHBondContact N-OD2 3.2Å; N156-D159 PolarHBondContact O-N 3.15Å
157R55.4Low78.4Confident231 Ų23175.6 Ų75.687%0.87236%0.357SS*.THydrogen-bonded Turntrans-69.9-5.3-175.4-76.7-173.5172.5-174.5-2.2114.9F155F155-R157 HydrophobicContact CE1-CG 4.45Å
158Y51.7Low77.9Confident202 Ų20278.5 Ų78.579%0.79238%0.381SS*.THydrogen-bonded Turntrans-95.8-9.4178.2-62.2-76.1000113N156 S160N156-Y158 PolarHBondContact O-N 2.95Å; N156-Y158 VanDerWaalsContact O-N 3.07Å; Y158-S160 PolarHBondContact O-N 3.22Å
159D56.6Low77.6Confident65 Ų6579.5 Ų79.535%0.34839%0.386SS..  trans-84.8101.1-179.6-54.1-38.9000109.5N156 F163N156-D159 WeakPolarHBondContact CB-OD2 3.18Å; N156-D159 PolarHBondContact N-OD2 3.2Å; N156-D159 PolarHBondContact O-N 3.15Å; D159-F163 HydrophobicContact CB-CD1 3.77Å; D159-F163 HydrophobicContact CB-CE1 3.77Å
160S58.8Low77.4Confident58 Ų5880.2 Ų80.241%0.40639%0.389SS..  trans-61.9136.9173.657.80000109.9Y158 E162 F163Y158-S160 PolarHBondContact O-N 3.22Å; S160-E162 WeakPolarHBondContact CB-OE2 3.36Å; S160-E162 PolarHBondContact O-N 3.4Å; S160-E162 PolarHBondContact OG-OE2 3.29Å; S160-F163 VanDerWaalsContact O-CD1 3.32Å; S160-F163 WeakPolarHBondContact O-CD1 3.25Å; S160-F163 PolarHBondContact O-N 2.8Å
161Q67.1Low77.1Confident83 Ų8380 Ų8039%0.38839%0.386SS..G310 helixtrans-55.9-21.4-175.2-65.1-179-10.700113.3F163 L164 A189Q161-F163 PolarHBondContact O-N 3.25Å; Q161-F163 VanDerWaalsContact O-N 3.1Å; Q161-L164 VanDerWaalsContact O-CB 3.32Å; Q161-L164 WeakPolarHBondContact O-CB 3.41Å; Q161-L164 PolarHBondContact O-N 2.89Å; Q161-A189 HydrophobicContact CG-CB 3.94Å
162E71.6Confident76.2Confident119 Ų11982.9 Ų82.956%0.55640%0.401SS*.G310 helixtrans-45.9-28.3165.7-56.4163168.500114.5S160 L164 Q165S160-E162 WeakPolarHBondContact CB-OE2 3.36Å; S160-E162 PolarHBondContact O-N 3.4Å; S160-E162 PolarHBondContact OG-OE2 3.29Å; E162-L164 VanDerWaalsContact C-N 3.3Å; E162-L164 PolarHBondContact O-N 3.47Å; E162-Q165 PolarHBondContact O-N 3.03Å
163F80.9Confident75.4Confident33 Ų3385.4 Ų85.415%0.14542%0.418CS..G310 helixtrans-65.6-35.5177.194.6-99.2000111.8V148 F152 D159 S160 Q161 Q165 K166 F167 Y192V148-F163 HydrophobicContact CG1-CZ 4.33Å; F152-F163 HydrophobicContact CD2-CE2 4.25Å; F152-F163 HydrophobicContact CE2-CE2 4.36Å; F152-F163 HydrophobicContact CG-CE2 4.43Å; D159-F163 HydrophobicContact CB-CD1 3.77Å; D159-F163 HydrophobicContact CB-CE1 3.77Å; S160-F163 VanDerWaalsContact O-CD1 3.32Å; S160-F163 WeakPolarHBondContact O-CD1 3.25Å; S160-F163 PolarHBondContact O-N 2.8Å; Q161-F163 PolarHBondContact O-N 3.25Å; Q161-F163 VanDerWaalsContact O-N 3.1Å; F163-Q165 VanDerWaalsContact C-N 3.28Å; F163-Q165 PolarHBondContact O-N 2.88Å; F163-K166 WeakPolarHBondContact O-CB 3.48Å; F163-K166 PolarHBondContact O-N 2.9Å; F163-F167 HydrophobicContact CD2-CD2 4.43Å; F163-F167 HydrophobicContact CD2-CE2 4.09Å; F163-F167 VanDerWaalsContact O-CD2 3.24Å; F163-F167 WeakPolarHBondContact O-CD2 3.21Å; F163-F167 WeakPolarHBondContact O-CE2 3.48Å; F163-Y192 HydrophobicContact CE1-CE1 4.41Å; F163-Y192 AromaticContact CZ-CE1 3.93Å; F163-Y192 HydrophobicContact CZ-CE1 3.93Å
164L82.6Confident74.8Confident2 Ų289 Ų891%0.0142%0.424CS..G310 helixtrans-65.9-30.8-178.7-67.1171.9000112.4V148 Q161 E162 K166 F167 L169 T185 A189V148-L164 HydrophobicContact CG1-CD2 3.88Å; V148-L164 HydrophobicContact CG2-CD2 3.78Å; Q161-L164 VanDerWaalsContact O-CB 3.32Å; Q161-L164 WeakPolarHBondContact O-CB 3.41Å; Q161-L164 PolarHBondContact O-N 2.89Å; E162-L164 VanDerWaalsContact C-N 3.3Å; E162-L164 PolarHBondContact O-N 3.47Å; L164-K166 PolarHBondContact O-N 3.19Å; L164-K166 VanDerWaalsContact O-N 3.11Å; L164-F167 PolarHBondContact O-N 2.94Å; L164-L169 HydrophobicContact CB-CD1 4.2Å; L164-T185 HydrophobicContact CB-CG2 3.79Å; L164-T185 HydrophobicContact CD1-CG2 4.31Å; L164-A189 HydrophobicContact CD1-CB 3.69Å
165Q78.4Confident74Confident134 Ų13487.6 Ų87.663%0.62642%0.416SS*.G310 helixtrans-64.5-13176.9-62.3178-15.500113.4E162 F163E162-Q165 PolarHBondContact O-N 3.03Å; F163-Q165 VanDerWaalsContact C-N 3.28Å; F163-Q165 PolarHBondContact O-N 2.88Å
166K80.6Confident73.7Confident161 Ų16194.8 Ų94.870%0.745%0.45SS*.G310 helixtrans-88.5-3-180-57.8171.7-172.71690113.1F163 L164F163-K166 WeakPolarHBondContact O-CB 3.48Å; F163-K166 PolarHBondContact O-N 2.9Å; L164-K166 PolarHBondContact O-N 3.19Å; L164-K166 VanDerWaalsContact O-N 3.11Å
167F83.9Confident74.1Confident100 Ų10094.9 Ų94.944%0.43945%0.451SS..SBendtrans-124.5148-173.8-61-78.7000112.2F152 F163 L164 L169F152-F167 HydrophobicContact CE1-CE1 4.31Å; F152-F167 HydrophobicContact CE1-CE2 4.17Å; F152-F167 AromaticContact CE1-CZ 3.86Å; F152-F167 HydrophobicContact CE1-CZ 3.86Å; F152-F167 HydrophobicContact CE2-CD2 4.46Å; F152-F167 HydrophobicContact CZ-CD1 4.02Å; F152-F167 AromaticContact CZ-CD2 3.96Å; F152-F167 HydrophobicContact CZ-CD2 3.96Å; F152-F167 AromaticContact CZ-CE1 3.72Å; F152-F167 HydrophobicContact CZ-CE1 3.72Å; F152-F167 AromaticContact CZ-CE2 3.66Å; F152-F167 HydrophobicContact CZ-CE2 3.66Å; F152-F167 HydrophobicContact CZ-CG 4.15Å; F152-F167 AromaticContact CZ-CZ 3.53Å; F152-F167 HydrophobicContact CZ-CZ 3.53Å; F163-F167 HydrophobicContact CD2-CD2 4.43Å; F163-F167 HydrophobicContact CD2-CE2 4.09Å; F163-F167 VanDerWaalsContact O-CD2 3.24Å; F163-F167 WeakPolarHBondContact O-CD2 3.21Å; F163-F167 WeakPolarHBondContact O-CE2 3.48Å; L164-F167 PolarHBondContact O-N 2.94Å; F167-L169 PolarHBondContact O-N 3.18Å
168A85.1Confident75.4Confident71 Ų7191.9 Ų91.959%0.58745%0.446SS*.  trans-75.791.8175.600000110.2L129L129-A168 HydrophobicContact CD1-CB 4.34Å; L129-A168 WeakPolarHBondContact CD1-O 3.47Å; L129-A168 VanDerWaalsContact CD2-O 3.3Å; L129-A168 WeakPolarHBondContact CD2-O 3.39Å
169L86.1Confident76.9Confident24 Ų2491.8 Ų91.813%0.12645%0.445CS..  trans-83.6-29.4178.5-62.2-179.5000113.5A144 V148 L164 F167 T185 V188A144-L169 HydrophobicContact CB-CB 4.06Å; A144-L169 HydrophobicContact CB-CD2 4.4Å; V148-L169 HydrophobicContact CG2-CD2 3.7Å; L164-L169 HydrophobicContact CB-CD1 4.2Å; F167-L169 PolarHBondContact O-N 3.18Å; L169-T185 HydrophobicContact CD1-CG2 4.04Å; L169-V188 HydrophobicContact CD1-CG1 4.25Å
170F90.1Very high78.2Confident15 Ų1591.4 Ų91.47%0.06644%0.444CS..SBendtrans-128.1161.6-169.6-56.5-66.9000111.4L129 A140 I141 A144 I175 L181 A184 V188L129-F170 WeakPolarHBondContact CD2-O 3.39Å; A140-F170 HydrophobicContact CB-CD1 4.08Å; A140-F170 HydrophobicContact CB-CE1 4.47Å; I141-F170 HydrophobicContact CG1-CE1 3.81Å; I141-F170 HydrophobicContact CG1-CZ 4.11Å; A144-F170 HydrophobicContact CB-CE1 4.23Å; F170-I175 HydrophobicContact CB-CD1 4.1Å; F170-I175 HydrophobicContact CD2-CD1 3.89Å; F170-I175 HydrophobicContact CE2-CD1 4.48Å; F170-I175 HydrophobicContact CG-CD1 3.92Å; F170-L181 HydrophobicContact CD2-CD1 3.61Å; F170-L181 HydrophobicContact CE2-CD1 3.99Å; F170-A184 HydrophobicContact CE1-CB 4.27Å; F170-A184 HydrophobicContact CE2-CB 3.87Å; F170-A184 HydrophobicContact CZ-CB 3.57Å; F170-V188 HydrophobicContact CE1-CG2 4.18Å; F170-V188 HydrophobicContact CZ-CG2 3.69Å
171P86.3Confident79.5Confident8 Ų892 Ų925%0.05244%0.443CS..  trans-58.6139.3178.2-21.933.2000112.4V128 L129 D173 W174V128-P171 WeakPolarHBondContact O-CG 3.14Å; L129-P171 WeakPolarHBondContact O-CA 3.32Å; P171-D173 VanDerWaalsContact C-N 3.29Å; P171-D173 PolarHBondContact O-N 3.04Å; P171-W174 HydrophobicContact CB-CB 4.32Å; P171-W174 HydrophobicContact CB-CD2 4.26Å; P171-W174 HydrophobicContact CB-CG 3.95Å; P171-W174 HydrophobicContact CG-CD2 3.82Å; P171-W174 HydrophobicContact CG-CE3 4.13Å; P171-W174 HydrophobicContact CG-CG 4.06Å; P171-W174 WeakPolarHBondContact O-CB 3.33Å; P171-W174 PolarHBondContact O-N 3.12Å; P171-W174 VanDerWaalsContact O-N 3.14Å
172I73.1Confident80.4Confident138 Ų13892.9 Ų92.971%0.70845%0.447SS*.THydrogen-bonded Turntrans-56.5-40.2-169.9-67.7171.9000112.9L129L129-I172 PolarHBondContact O-N 3.43Å
173D71.8Confident81.1Confident139 Ų13992 Ų9274%0.74344%0.443SS*.THydrogen-bonded Turntrans-87.50.2-174.8-61.5-50.8000114.5P171P171-D173 VanDerWaalsContact C-N 3.29Å; P171-D173 PolarHBondContact O-N 3.04Å
174W73.7Confident81.5Confident101 Ų10190.5 Ų90.538%0.38344%0.436SS..THydrogen-bonded Turntrans-81.7-51.2-168.3-98.324.9000115.6C135 L137 A140 P171C135-W174 HydrophobicContact CB-CH2 4.36Å; C135-W174 VanDerWaalsContact O-CH2 3.27Å; C135-W174 WeakPolarHBondContact O-CH2 3.38Å; C135-W174 WeakPolarHBondContact O-CZ2 3.1Å; C135-W174 VanDerWaalsContact SG-CH2 3.53Å; L137-W174 HydrophobicContact CD1-CZ3 4.45Å; A140-W174 HydrophobicContact CB-CE3 4.42Å; A140-W174 HydrophobicContact CB-CH2 3.98Å; A140-W174 HydrophobicContact CB-CZ3 3.49Å; A140-W174 VanDerWaalsContact CB-CZ3 3.49Å; P171-W174 HydrophobicContact CB-CB 4.32Å; P171-W174 HydrophobicContact CB-CD2 4.26Å; P171-W174 HydrophobicContact CB-CG 3.95Å; P171-W174 HydrophobicContact CG-CD2 3.82Å; P171-W174 HydrophobicContact CG-CE3 4.13Å; P171-W174 HydrophobicContact CG-CG 4.06Å; P171-W174 WeakPolarHBondContact O-CB 3.33Å; P171-W174 PolarHBondContact O-N 3.12Å; P171-W174 VanDerWaalsContact O-N 3.14Å
175I69.2Low81.8Confident38 Ų3890.9 Ų90.920%0.19544%0.439CS..  trans-113.593.5-162.7-43.3-175.1000110.5F170 D177 V180 L181F170-I175 HydrophobicContact CB-CD1 4.1Å; F170-I175 HydrophobicContact CD2-CD1 3.89Å; F170-I175 HydrophobicContact CE2-CD1 4.48Å; F170-I175 HydrophobicContact CG-CD1 3.92Å; I175-D177 VanDerWaalsContact CG2-O 3.31Å; I175-D177 WeakPolarHBondContact CG2-O 3.11Å; I175-V180 HydrophobicContact CG2-CB 3.98Å; I175-V180 HydrophobicContact CG2-CG1 4.11Å; I175-L181 HydrophobicContact CB-CB 4.39Å; I175-L181 HydrophobicContact CD1-CD1 4.05Å; I175-L181 HydrophobicContact CG2-CB 3.71Å
176Q72.6Confident82.3Confident186 Ų18688.4 Ų88.487%0.86943%0.427SS*.  trans-89.9-9.8175.8-59.9-179.59.900113.1
177D80.4Confident82.8Confident85 Ų8584.3 Ų84.346%0.45541%0.41SS..  trans-103.1111.2174.6-174.6-23.7000109.6I175 R179 V180 L181I175-D177 VanDerWaalsContact CG2-O 3.31Å; I175-D177 WeakPolarHBondContact CG2-O 3.11Å; D177-R179 PolarHBondContact O-N 3.11Å; D177-R179 VanDerWaalsContact O-N 3.13Å; D177-R179 VanDerWaalsContact OD1-CB 3.32Å; D177-R179 WeakPolarHBondContact OD1-CB 3.49Å; D177-R179 PolarHBondContact OD1-N 2.95Å; D177-V180 HydrophobicContact CB-CB 4.31Å; D177-V180 HydrophobicContact CB-CG2 3.99Å; D177-V180 PolarHBondContact O-N 3.41Å; D177-V180 VanDerWaalsContact O-N 3.09Å; D177-L181 PolarHBondContact O-N 2.96Å; D177-L181 VanDerWaalsContact O-N 3.11Å
178E82.2Confident83.2Confident167 Ų16779.6 Ų79.678%0.7839%0.389SS*.Hα-helixtrans-55.2-30.3-179.2-62.9-179.2144.100112.9L181 E182E178-L181 WeakPolarHBondContact O-CB 3.45Å; E178-L181 PolarHBondContact O-N 3.08Å; E178-E182 WeakPolarHBondContact O-CB 3.26Å; E178-E182 PolarHBondContact O-N 2.82Å
179R83.7Confident83.3Confident200 Ų20076.2 Ų76.276%0.75536%0.361SS*.Hα-helixtrans-71.5-38.4179.9-58.3177.7178.1-172.4-0.6111.9D177 L181 E182 E183D177-R179 PolarHBondContact O-N 3.11Å; D177-R179 VanDerWaalsContact O-N 3.13Å; D177-R179 VanDerWaalsContact OD1-CB 3.32Å; D177-R179 WeakPolarHBondContact OD1-CB 3.49Å; D177-R179 PolarHBondContact OD1-N 2.95Å; R179-L181 VanDerWaalsContact C-N 3.32Å; R179-E182 PolarHBondContact O-N 2.99Å; R179-E183 WeakPolarHBondContact O-CB 3.4Å; R179-E183 PolarHBondContact O-N 2.64Å
180V84.3Confident83.5Confident57 Ų5780.2 Ų80.235%0.34538%0.382SS..Hα-helixtrans-69.5-35.7175.4-179.70000109.9I175 D177 A184I175-V180 HydrophobicContact CG2-CB 3.98Å; I175-V180 HydrophobicContact CG2-CG1 4.11Å; D177-V180 HydrophobicContact CB-CB 4.31Å; D177-V180 HydrophobicContact CB-CG2 3.99Å; D177-V180 PolarHBondContact O-N 3.41Å; D177-V180 VanDerWaalsContact O-N 3.09Å; V180-A184 WeakPolarHBondContact O-CB 3.38Å; V180-A184 PolarHBondContact O-N 2.84Å
181L85.8Confident83.5Confident71 Ų7182.2 Ų82.237%0.37239%0.393SS..Hα-helixtrans-64.9-43.6173.8-179.460.5000111.1F170 I175 D177 E178 R179 T185F170-L181 HydrophobicContact CD2-CD1 3.61Å; F170-L181 HydrophobicContact CE2-CD1 3.99Å; I175-L181 HydrophobicContact CB-CB 4.39Å; I175-L181 HydrophobicContact CD1-CD1 4.05Å; I175-L181 HydrophobicContact CG2-CB 3.71Å; D177-L181 PolarHBondContact O-N 2.96Å; D177-L181 VanDerWaalsContact O-N 3.11Å; E178-L181 WeakPolarHBondContact O-CB 3.45Å; E178-L181 PolarHBondContact O-N 3.08Å; R179-L181 VanDerWaalsContact C-N 3.32Å; L181-T185 VanDerWaalsContact O-CB 3.31Å; L181-T185 WeakPolarHBondContact O-CB 3.36Å; L181-T185 PolarHBondContact O-N 3.38Å; L181-T185 PolarHBondContact O-OG1 3.39Å
182E85.4Confident83.7Confident101 Ų10182 Ų8247%0.47239%0.391SS..Hα-helixtrans-65.4-48.8178.2-162.3-172171.100111.5E178 R179 A184 T185 Q186E178-E182 WeakPolarHBondContact O-CB 3.26Å; E178-E182 PolarHBondContact O-N 2.82Å; R179-E182 PolarHBondContact O-N 2.99Å; E182-A184 VanDerWaalsContact C-N 3.32Å; E182-A184 PolarHBondContact O-N 3.05Å; E182-T185 PolarHBondContact O-N 3.39Å; E182-T185 VanDerWaalsContact O-N 3.13Å; E182-Q186 WeakPolarHBondContact O-CG 3.17Å; E182-Q186 PolarHBondContact O-N 2.84Å; E182-Q186 PolarHBondContact OE1-NE2 2.75Å
183E88.1Confident84.5Confident100 Ų10079.7 Ų79.747%0.46738%0.377SS..Hα-helixtrans-60.6-41177.4-161.5-163.9146.700111.8R179 K187R179-E183 WeakPolarHBondContact O-CB 3.4Å; R179-E183 PolarHBondContact O-N 2.64Å; E183-K187 WeakPolarHBondContact O-CG 3.39Å; E183-K187 PolarHBondContact O-N 3.03Å; E183-K187 WeakPolarHBondContact OE1-CE 3.44Å; E183-K187 IonicContact OE1-NZ 2.78Å; E183-K187 PolarHBondContact OE1-NZ 3.45Å
184A88.4Confident85.4Confident2 Ų276.5 Ų76.52%0.01737%0.366CS..Hα-helixtrans-65.4-40.2175.100000111.9L137 I141 F170 V180 E182 K187 V188L137-A184 HydrophobicContact CD1-CB 4.32Å; I141-A184 HydrophobicContact CD1-CB 4Å; I141-A184 HydrophobicContact CG1-CB 4.12Å; F170-A184 HydrophobicContact CE1-CB 4.27Å; F170-A184 HydrophobicContact CE2-CB 3.87Å; F170-A184 HydrophobicContact CZ-CB 3.57Å; V180-A184 WeakPolarHBondContact O-CB 3.38Å; V180-A184 PolarHBondContact O-N 2.84Å; E182-A184 VanDerWaalsContact C-N 3.32Å; E182-A184 PolarHBondContact O-N 3.05Å; A184-K187 PolarHBondContact O-N 2.87Å; A184-V188 WeakPolarHBondContact O-CG2 3.31Å; A184-V188 PolarHBondContact O-N 3.24Å
185T89.1Confident86.2Confident11 Ų1172.4 Ų72.47%0.06735%0.35CS..Hα-helixtrans-67.7-38.7177.8-56.80000111.8L164 L169 L181 E182 V188 A189L164-T185 HydrophobicContact CB-CG2 3.79Å; L164-T185 HydrophobicContact CD1-CG2 4.31Å; L169-T185 HydrophobicContact CD1-CG2 4.04Å; L181-T185 VanDerWaalsContact O-CB 3.31Å; L181-T185 WeakPolarHBondContact O-CB 3.36Å; L181-T185 PolarHBondContact O-N 3.38Å; L181-T185 PolarHBondContact O-OG1 3.39Å; E182-T185 PolarHBondContact O-N 3.39Å; E182-T185 VanDerWaalsContact O-N 3.13Å; T185-V188 WeakPolarHBondContact O-CB 3.38Å; T185-V188 PolarHBondContact O-N 2.92Å; T185-A189 PolarHBondContact O-N 3.47Å
186Q87.9Confident87.1Confident81 Ų8178.9 Ų78.938%0.37937%0.373SS..Hα-helixtrans-62.6-41172.2-69.7175.818.400111.4E182 A189 I190E182-Q186 WeakPolarHBondContact O-CG 3.17Å; E182-Q186 PolarHBondContact O-N 2.84Å; E182-Q186 PolarHBondContact OE1-NE2 2.75Å; Q186-A189 PolarHBondContact O-N 2.98Å; Q186-I190 WeakPolarHBondContact O-CG1 3.24Å; Q186-I190 PolarHBondContact O-N 2.91Å
187K90.7Very high87.8Confident76 Ų7673.1 Ų73.133%0.3336%0.363SS..Hα-helixtrans-64.2-38.7173.5-70.9168-174.9168.70112.6I141 E183 A184 I190 L191I141-K187 HydrophobicContact CD1-CB 4.2Å; I141-K187 HydrophobicContact CD1-CD 3.9Å; I141-K187 HydrophobicContact CG2-CB 3.9Å; E183-K187 WeakPolarHBondContact O-CG 3.39Å; E183-K187 PolarHBondContact O-N 3.03Å; E183-K187 WeakPolarHBondContact OE1-CE 3.44Å; E183-K187 IonicContact OE1-NZ 2.78Å; E183-K187 PolarHBondContact OE1-NZ 3.45Å; A184-K187 PolarHBondContact O-N 2.87Å; K187-I190 PolarHBondContact O-N 3.17Å; K187-L191 PolarHBondContact O-N 2.83Å
188V92.3Very high88.3Confident0 Ų073 Ų730%036%0.358CS..Hα-helixtrans-59.2-46.5171.4168.50000110.8I141 A144 V148 L169 F170 A184 T185 I190 L191 Y192I141-V188 HydrophobicContact CB-CG2 4.33Å; I141-V188 HydrophobicContact CG1-CG2 4.41Å; I141-V188 HydrophobicContact CG2-CG2 4.03Å; A144-V188 HydrophobicContact CB-CG1 4.22Å; A144-V188 HydrophobicContact CB-CG2 3.64Å; V148-V188 HydrophobicContact CG2-CG1 4.4Å; L169-V188 HydrophobicContact CD1-CG1 4.25Å; F170-V188 HydrophobicContact CE1-CG2 4.18Å; F170-V188 HydrophobicContact CZ-CG2 3.69Å; A184-V188 WeakPolarHBondContact O-CG2 3.31Å; A184-V188 PolarHBondContact O-N 3.24Å; T185-V188 WeakPolarHBondContact O-CB 3.38Å; T185-V188 PolarHBondContact O-N 2.92Å; V188-I190 VanDerWaalsContact C-N 3.3Å; V188-I190 PolarHBondContact O-N 3.39Å; V188-L191 PolarHBondContact O-N 3.19Å; V188-Y192 WeakPolarHBondContact O-CB 3.38Å; V188-Y192 PolarHBondContact O-N 3.18Å
189A89.2Confident88.8Confident0 Ų067.6 Ų67.60%034%0.339CS..Hα-helixtrans-63-32.6178.200000113.6Q161 L164 T185 Q186 Q193Q161-A189 HydrophobicContact CG-CB 3.94Å; L164-A189 HydrophobicContact CD1-CB 3.69Å; T185-A189 PolarHBondContact O-N 3.47Å; Q186-A189 PolarHBondContact O-N 2.98Å; A189-Q193 WeakPolarHBondContact O-CG 3.39Å; A189-Q193 PolarHBondContact O-N 3.37Å; A189-Q193 PolarHBondContact O-NE2 3.01Å
190I89.4Confident89.2Confident109 Ų10959.6 Ų59.656%0.55932%0.316SS*.Hα-helixtrans-73.9-42.4176-67.8163.5000111.2Q186 K187 V188 Q193Q186-I190 WeakPolarHBondContact O-CG1 3.24Å; Q186-I190 PolarHBondContact O-N 2.91Å; K187-I190 PolarHBondContact O-N 3.17Å; V188-I190 VanDerWaalsContact C-N 3.3Å; V188-I190 PolarHBondContact O-N 3.39Å; I190-Q193 WeakPolarHBondContact O-CB 3.34Å; I190-Q193 PolarHBondContact O-N 3.07Å
191L91.1Very high89.7Confident57 Ų5758.5 Ų58.530%0.29831%0.31SS..Hα-helixtrans-71.6-35.5177.3-78.8162.5000112.5I141 S145 K187 V188 Q193 S194 F195I141-L191 HydrophobicContact CG2-CD1 3.6Å; S145-L191 WeakPolarHBondContact OG-CB 3.49Å; K187-L191 PolarHBondContact O-N 2.83Å; V188-L191 PolarHBondContact O-N 3.19Å; L191-Q193 VanDerWaalsContact C-N 3.31Å; L191-Q193 PolarHBondContact O-N 3.42Å; L191-S194 WeakPolarHBondContact O-CA 3.33Å; L191-S194 WeakPolarHBondContact O-CB 3.26Å; L191-S194 PolarHBondContact O-N 3.49Å; L191-S194 PolarHBondContact O-OG 3.33Å; L191-F195 WeakPolarHBondContact O-CD2 3.4Å; L191-F195 PolarHBondContact O-N 3.49Å
192Y90.3Very high90Very high3 Ų359.8 Ų59.81%0.01231%0.314CS..Hα-helixtrans-56.2-44.3173.1175.8-148.3000111.4V148 Q149 G153 F155 F163 V188 S194 F195V148-Y192 HydrophobicContact CB-CD2 4.48Å; V148-Y192 HydrophobicContact CB-CG 4.48Å; V148-Y192 HydrophobicContact CG1-CD1 3.51Å; V148-Y192 HydrophobicContact CG1-CD2 3.85Å; V148-Y192 HydrophobicContact CG1-CE1 3.47Å; V148-Y192 VanDerWaalsContact CG1-CE1 3.47Å; V148-Y192 HydrophobicContact CG1-CE2 3.8Å; V148-Y192 HydrophobicContact CG1-CG 3.72Å; Q149-Y192 HydrophobicContact CB-CD2 4.21Å; Q149-Y192 HydrophobicContact CB-CE2 4.22Å; G153-Y192 VanDerWaalsContact O-CE2 3.28Å; G153-Y192 WeakPolarHBondContact O-CE2 3.32Å; G153-Y192 PolarHBondContact O-OH 3.23Å; F155-Y192 HydrophobicContact CB-CD1 4.05Å; F155-Y192 HydrophobicContact CB-CD2 4.33Å; F155-Y192 HydrophobicContact CB-CE1 3.79Å; F155-Y192 HydrophobicContact CB-CE2 4.07Å; F155-Y192 HydrophobicContact CB-CG 4.3Å; F155-Y192 AromaticContact CD2-CD1 3.63Å; F155-Y192 HydrophobicContact CD2-CD1 3.63Å; F155-Y192 AromaticContact CD2-CE1 3.61Å; F155-Y192 HydrophobicContact CD2-CE1 3.61Å; F155-Y192 HydrophobicContact CD2-CG 4.49Å; F155-Y192 HydrophobicContact CG-CD1 4.3Å; F155-Y192 HydrophobicContact CG-CE1 4.19Å; F155-Y192 PolarHBondContact N-OH 2.94Å; F163-Y192 HydrophobicContact CE1-CE1 4.41Å; F163-Y192 AromaticContact CZ-CE1 3.93Å; F163-Y192 HydrophobicContact CZ-CE1 3.93Å; V188-Y192 WeakPolarHBondContact O-CB 3.38Å; V188-Y192 PolarHBondContact O-N 3.18Å; Y192-S194 PolarHBondContact O-N 3.05Å; Y192-S194 VanDerWaalsContact O-N 3.12Å; Y192-F195 PolarHBondContact O-N 3.01Å
193Q89.3Confident90.5Very high89 Ų8955 Ų5542%0.41629%0.292SS..Hα-helixtrans-57.7-25.5172.3-76.3167.568.200114.2F155 A189 I190 L191F155-Q193 HydrophobicContact CB-CG 4.32Å; F155-Q193 HydrophobicContact CD1-CG 3.43Å; F155-Q193 VanDerWaalsContact CD1-CG 3.43Å; F155-Q193 HydrophobicContact CD2-CG 3.95Å; F155-Q193 HydrophobicContact CE1-CG 3.61Å; F155-Q193 HydrophobicContact CE2-CG 4.11Å; F155-Q193 HydrophobicContact CG-CG 3.61Å; F155-Q193 HydrophobicContact CZ-CG 3.95Å; A189-Q193 WeakPolarHBondContact O-CG 3.39Å; A189-Q193 PolarHBondContact O-N 3.37Å; A189-Q193 PolarHBondContact O-NE2 3.01Å; I190-Q193 WeakPolarHBondContact O-CB 3.34Å; I190-Q193 PolarHBondContact O-N 3.07Å; L191-Q193 VanDerWaalsContact C-N 3.31Å; L191-Q193 PolarHBondContact O-N 3.42Å
194S90.3Very high90.9Very high73 Ų7351 Ų5151%0.5127%0.273SS..Hα-helixtrans-84.3-15.2178.278.60000114.3L191 Y192 R196L191-S194 WeakPolarHBondContact O-CA 3.33Å; L191-S194 WeakPolarHBondContact O-CB 3.26Å; L191-S194 PolarHBondContact O-N 3.49Å; L191-S194 PolarHBondContact O-OG 3.33Å; Y192-S194 PolarHBondContact O-N 3.05Å; Y192-S194 VanDerWaalsContact O-N 3.12Å; S194-R196 VanDerWaalsContact C-N 3.31Å
195F90.7Very high91.2Very high14 Ų1452.7 Ų52.76%0.06128%0.281CS..THydrogen-bonded Turntrans-91.79.5173.8-62.5-52.5000113.5S145 L146 Q149 L191 Y192 G197 F198S145-F195 WeakPolarHBondContact OG-CE2 3.19Å; L146-F195 HydrophobicContact CD2-CD1 4.07Å; L146-F195 HydrophobicContact CD2-CD2 3.99Å; L146-F195 HydrophobicContact CD2-CE1 3.78Å; L146-F195 HydrophobicContact CD2-CE2 3.68Å; L146-F195 HydrophobicContact CD2-CG 4.18Å; L146-F195 HydrophobicContact CD2-CZ 3.57Å; L146-F195 HydrophobicContact CG-CD2 4.4Å; L146-F195 HydrophobicContact CG-CE2 3.77Å; L146-F195 HydrophobicContact CG-CZ 3.86Å; Q149-F195 HydrophobicContact CB-CB 4.18Å; Q149-F195 HydrophobicContact CG-CB 3.94Å; Q149-F195 PolarHBondContact NE2-O 3.31Å; Q149-F195 VanDerWaalsContact NE2-O 3.16Å; Q149-F195 PolarHBondContact OE1-O 3.12Å; L191-F195 WeakPolarHBondContact O-CD2 3.4Å; L191-F195 PolarHBondContact O-N 3.49Å; Y192-F195 PolarHBondContact O-N 3.01Å; F195-G197 PolarHBondContact O-N 3.5Å; F195-F198 HydrophobicContact CB-CD2 4.29Å; F195-F198 HydrophobicContact CD1-CD2 4.36Å; F195-F198 HydrophobicContact CD1-CE2 4.32Å; F195-F198 WeakPolarHBondContact O-CB 3.35Å; F195-F198 VanDerWaalsContact O-CD2 3.29Å; F195-F198 WeakPolarHBondContact O-CD2 3.35Å; F195-F198 PolarHBondContact O-N 3.39Å; F195-F198 VanDerWaalsContact O-N 3.08Å
196R87.4Confident91.5Very high175 Ų17554.6 Ų54.666%0.6629%0.291SS*.THydrogen-bonded Turntrans-57.3125.6174.8-164-173.4176.8-165.4-0.2111.6D154 S194D154-R196 VanDerWaalsContact CG-CG 3.41Å; D154-R196 WeakPolarHBondContact OD1-CA 3.35Å; D154-R196 WeakPolarHBondContact OD1-CG 3.4Å; D154-R196 WeakPolarHBondContact OD2-CG 3.34Å; D154-R196 IonicContact OD2-NE 3.5Å; D154-R196 PolarHBondContact OD2-NE 3.17Å; D154-R196 VanDerWaalsContact OD2-NE 3.16Å; S194-R196 VanDerWaalsContact C-N 3.31Å
197G87Confident92Very high64 Ų6451 Ų5166%0.6627%0.273SS*.THydrogen-bonded Turntrans97.8-6.6-176.400000114.9D154 F195D154-G197 PolarHBondContact OD1-N 3.11Å; F195-G197 PolarHBondContact O-N 3.5Å
198F91Very high92.3Very high82 Ų8247.3 Ų47.336%0.3626%0.258SS..  trans-80.9130.4170-75.6-98.6000110.3Q149 F195 E202 L206Q149-F198 HydrophobicContact CG-CB 4.31Å; Q149-F198 PolarHBondContact NE2-O 3.39Å; F195-F198 HydrophobicContact CB-CD2 4.29Å; F195-F198 HydrophobicContact CD1-CD2 4.36Å; F195-F198 HydrophobicContact CD1-CE2 4.32Å; F195-F198 WeakPolarHBondContact O-CB 3.35Å; F195-F198 VanDerWaalsContact O-CD2 3.29Å; F195-F198 WeakPolarHBondContact O-CD2 3.35Å; F195-F198 PolarHBondContact O-N 3.39Å; F195-F198 VanDerWaalsContact O-N 3.08Å; F198-E202 HydrophobicContact CD1-CB 4.16Å; F198-L206 HydrophobicContact CD1-CD1 3.84Å; F198-L206 HydrophobicContact CE1-CD1 3.59Å; F198-L206 HydrophobicContact CZ-CD1 4.37Å
199S92.8Very high92.4Very high54 Ų5450.1 Ų50.138%0.37827%0.271SS..  trans-71.7157.2171.766.80000111.4E202 A203S199-E202 WeakPolarHBondContact CB-OE2 3.44Å; S199-E202 PolarHBondContact N-OE2 2.59Å; S199-E202 WeakPolarHBondContact O-CB 3.27Å; S199-E202 PolarHBondContact O-N 2.68Å; S199-E202 VanDerWaalsContact OG-CD 3.26Å; S199-E202 WeakPolarHBondContact OG-CG 3.35Å; S199-E202 PolarHBondContact OG-OE2 3.04Å; S199-A203 PolarHBondContact O-N 2.77Å
200A92.8Very high92.7Very high32 Ų3252.6 Ų52.626%0.26428%0.282SS..Hα-helixtrans-54.6-45.4179.400000113.2A150 E202 A203 E204A150-A200 WeakPolarHBondContact O-CB 3.34Å; A200-E202 PolarHBondContact O-N 2.86Å; A200-A203 PolarHBondContact O-N 3.16Å; A200-A203 VanDerWaalsContact O-N 3.13Å; A200-E204 WeakPolarHBondContact O-CB 3.46Å; A200-E204 VanDerWaalsContact O-CG 3.29Å; A200-E204 WeakPolarHBondContact O-CG 3.3Å; A200-E204 PolarHBondContact O-N 2.78Å
201P93.8Very high93Very high35 Ų3547.4 Ų47.423%0.22726%0.256CS..Hα-helixtrans-63.8-24176.6-23.835.7000114.8E114 M205E114-P201 WeakPolarHBondContact OE1-CG 3.29Å; P201-M205 WeakPolarHBondContact O-CB 3.29Å; P201-M205 PolarHBondContact O-N 2.79Å; P201-M205 VanDerWaalsContact O-N 3.12Å
202E94.1Very high93.2Very high98 Ų9847 Ų4746%0.45825%0.252SS..Hα-helixtrans-79.4-40.8173.1-67.5167.6125.500111.3F198 S199 A200 M205 L206F198-E202 HydrophobicContact CD1-CB 4.16Å; S199-E202 WeakPolarHBondContact CB-OE2 3.44Å; S199-E202 PolarHBondContact N-OE2 2.59Å; S199-E202 WeakPolarHBondContact O-CB 3.27Å; S199-E202 PolarHBondContact O-N 2.68Å; S199-E202 VanDerWaalsContact OG-CD 3.26Å; S199-E202 WeakPolarHBondContact OG-CG 3.35Å; S199-E202 PolarHBondContact OG-OE2 3.04Å; A200-E202 PolarHBondContact O-N 2.86Å; E202-M205 PolarHBondContact O-N 3.41Å; E202-L206 WeakPolarHBondContact O-CB 3.44Å; E202-L206 WeakPolarHBondContact O-CG 3.35Å; E202-L206 PolarHBondContact O-N 2.72Å
203A95.6Very high93.2Very high1 Ų153.3 Ų53.31%0.00828%0.28CS..Hα-helixtrans-63.4-41.2173.200000111.7Q149 A150 S199 A200 L206 Y207Q149-A203 HydrophobicContact CB-CB 4.06Å; Q149-A203 HydrophobicContact CG-CB 3.93Å; A150-A203 HydrophobicContact CB-CB 3.96Å; S199-A203 PolarHBondContact O-N 2.77Å; A200-A203 PolarHBondContact O-N 3.16Å; A200-A203 VanDerWaalsContact O-N 3.13Å; A203-L206 PolarHBondContact O-N 3.19Å; A203-Y207 WeakPolarHBondContact O-CB 3.5Å; A203-Y207 PolarHBondContact O-N 3.16Å
204E96Very high93.4Very high14 Ų1450 Ų507%0.06527%0.265CS..Hα-helixtrans-57.4-50169.2-71.9172.7-141.700111.8Y118 Y121 A150 A200 L206 Y207 M208Y118-E204 VanDerWaalsContact CA-OE2 3.31Å; Y118-E204 WeakPolarHBondContact CA-OE2 3.46Å; Y118-E204 WeakPolarHBondContact CD2-OE1 3.29Å; Y121-E204 HydrophobicContact CD1-CG 3.73Å; Y121-E204 HydrophobicContact CD2-CG 4.38Å; Y121-E204 HydrophobicContact CE1-CG 4.13Å; Y121-E204 HydrophobicContact CG-CB 4.24Å; Y121-E204 HydrophobicContact CG-CG 3.86Å; A150-E204 HydrophobicContact CB-CG 4.09Å; A200-E204 WeakPolarHBondContact O-CB 3.46Å; A200-E204 VanDerWaalsContact O-CG 3.29Å; A200-E204 WeakPolarHBondContact O-CG 3.3Å; A200-E204 PolarHBondContact O-N 2.78Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.4Å; E204-Y207 WeakPolarHBondContact O-CB 3.4Å; E204-Y207 PolarHBondContact O-N 2.77Å; E204-M208 VanDerWaalsContact O-CG 3.3Å; E204-M208 WeakPolarHBondContact O-CG 3.33Å; E204-M208 PolarHBondContact O-N 2.81Å
205M95.1Very high93.3Very high38 Ų3851.6 Ų51.619%0.18726%0.264CS..Hα-helixtrans-59.7-44.8179.2-179.365.478.500111.3V108 T109 R117 P201 E202 M208 Q209V108-M205 HydrophobicContact CG2-SD 4.16Å; T109-M205 HydrophobicContact CG2-SD 4.31Å; R117-M205 VanDerWaalsContact CD-CE 3.46Å; P201-M205 WeakPolarHBondContact O-CB 3.29Å; P201-M205 PolarHBondContact O-N 2.79Å; P201-M205 VanDerWaalsContact O-N 3.12Å; E202-M205 PolarHBondContact O-N 3.41Å; M205-M208 PolarHBondContact O-N 2.84Å; M205-M208 HydrophobicContact SD-CE 4.17Å; M205-Q209 HydrophobicContact CG-CG 4.49Å; M205-Q209 WeakPolarHBondContact O-CB 3.35Å; M205-Q209 VanDerWaalsContact O-CG 3.26Å; M205-Q209 WeakPolarHBondContact O-CG 3.49Å; M205-Q209 PolarHBondContact O-N 2.78Å; M205-Q209 HydrophobicContact SD-CG 4.36Å
206L95.6Very high93.2Very high51 Ų5151.4 Ų51.427%0.26727%0.266SS..Hα-helixtrans-64.6-41.5176-72.4174.7000112.1L146 F198 E202 A203 E204 Q209 E210L146-L206 HydrophobicContact CD1-CB 4.15Å; L146-L206 HydrophobicContact CD2-CB 3.92Å; L146-L206 HydrophobicContact CD2-CD1 4.17Å; F198-L206 HydrophobicContact CD1-CD1 3.84Å; F198-L206 HydrophobicContact CE1-CD1 3.59Å; F198-L206 HydrophobicContact CZ-CD1 4.37Å; E202-L206 WeakPolarHBondContact O-CB 3.44Å; E202-L206 WeakPolarHBondContact O-CG 3.35Å; E202-L206 PolarHBondContact O-N 2.72Å; A203-L206 PolarHBondContact O-N 3.19Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.4Å; L206-Q209 PolarHBondContact O-N 2.97Å; L206-E210 WeakPolarHBondContact O-CG 3.27Å; L206-E210 PolarHBondContact O-N 3.14Å
207Y97.1Very high93.4Very high5 Ų543.7 Ų43.72%0.0224%0.237CC..Hα-helixtrans-57.3-53.1174.9-173.6-77.5000110.5Y121 L124 K125 L143 L146 A147 A203 E204 Q209 E210 V211Y121-Y207 AromaticContact CD2-CD1 3.67Å; Y121-Y207 HydrophobicContact CD2-CD1 3.67Å; Y121-Y207 HydrophobicContact CD2-CD2 4.48Å; Y121-Y207 HydrophobicContact CD2-CE1 4.28Å; Y121-Y207 AromaticContact CD2-CG 3.82Å; Y121-Y207 HydrophobicContact CD2-CG 3.82Å; Y121-Y207 AromaticContact CE2-CD1 3.98Å; Y121-Y207 HydrophobicContact CE2-CD1 3.98Å; Y121-Y207 HydrophobicContact CE2-CD2 4.01Å; Y121-Y207 HydrophobicContact CE2-CE1 4.41Å; Y121-Y207 HydrophobicContact CE2-CE2 4.43Å; Y121-Y207 AromaticContact CE2-CG 3.79Å; Y121-Y207 HydrophobicContact CE2-CG 3.79Å; L124-Y207 HydrophobicContact CB-CE1 4.39Å; K125-Y207 WeakPolarHBondContact CA-OH 3.5Å; K125-Y207 HydrophobicContact CB-CE1 4.17Å; L143-Y207 HydrophobicContact CB-CD2 4.23Å; L143-Y207 HydrophobicContact CB-CE2 3.62Å; L143-Y207 HydrophobicContact CD2-CD1 4.31Å; L143-Y207 HydrophobicContact CD2-CD2 3.82Å; L143-Y207 HydrophobicContact CD2-CE1 4.27Å; L143-Y207 HydrophobicContact CD2-CE2 3.78Å; L143-Y207 HydrophobicContact CD2-CG 4.07Å; L143-Y207 HydrophobicContact CG-CE2 4.23Å; L143-Y207 VanDerWaalsContact O-CD2 3.3Å; L143-Y207 WeakPolarHBondContact O-CD2 3.29Å; L143-Y207 WeakPolarHBondContact O-CE2 3.31Å; L146-Y207 HydrophobicContact CB-CD2 4.11Å; A147-Y207 HydrophobicContact CB-CD2 4.04Å; A147-Y207 HydrophobicContact CB-CE2 3.85Å; A203-Y207 WeakPolarHBondContact O-CB 3.5Å; A203-Y207 PolarHBondContact O-N 3.16Å; E204-Y207 WeakPolarHBondContact O-CB 3.4Å; E204-Y207 PolarHBondContact O-N 2.77Å; Y207-Q209 VanDerWaalsContact C-N 3.33Å; Y207-Q209 PolarHBondContact O-N 3.27Å; Y207-E210 PolarHBondContact O-N 2.6Å; Y207-E210 VanDerWaalsContact O-N 3.14Å; Y207-V211 HydrophobicContact CD1-CG2 3.88Å; Y207-V211 HydrophobicContact CE1-CG2 3.51Å; Y207-V211 WeakPolarHBondContact O-CG2 3.44Å; Y207-V211 PolarHBondContact O-N 2.86Å
208M96.6Very high93.5Very high0 Ų040.9 Ų40.90%021%0.207CC..Hα-helixtrans-60.4-41.2178.4-67.3-169.3-65.100112.4V108 R117 Y120 L124 E204 M205 E210 V211 E212V108-M208 HydrophobicContact CB-CB 4.13Å; V108-M208 HydrophobicContact CB-SD 4.47Å; V108-M208 HydrophobicContact CG1-CB 4.09Å; V108-M208 HydrophobicContact CG2-CB 3.78Å; R117-M208 HydrophobicContact CB-CE 3.77Å; R117-M208 HydrophobicContact CB-SD 4.48Å; R117-M208 HydrophobicContact CG-CE 4.09Å; Y120-M208 HydrophobicContact CD1-SD 4.44Å; L124-M208 HydrophobicContact CD1-CB 4.27Å; L124-M208 HydrophobicContact CD1-CG 4.02Å; E204-M208 VanDerWaalsContact O-CG 3.3Å; E204-M208 WeakPolarHBondContact O-CG 3.33Å; E204-M208 PolarHBondContact O-N 2.81Å; M205-M208 PolarHBondContact O-N 2.84Å; M205-M208 HydrophobicContact SD-CE 4.17Å; M208-E210 VanDerWaalsContact C-N 3.29Å; M208-E210 PolarHBondContact O-N 2.83Å; M208-V211 PolarHBondContact O-N 3.2Å; M208-E212 PolarHBondContact O-N 2.81Å
209Q95.8Very high93.5Very high58 Ų5839.9 Ų39.927%0.27120%0.204SC..Hα-helixtrans-66.5-25.3176.9-78.8179.65.200113.3V108 M205 L206 Y207 E212 K213V108-Q209 HydrophobicContact CG2-CG 3.81Å; M205-Q209 HydrophobicContact CG-CG 4.49Å; M205-Q209 WeakPolarHBondContact O-CB 3.35Å; M205-Q209 VanDerWaalsContact O-CG 3.26Å; M205-Q209 WeakPolarHBondContact O-CG 3.49Å; M205-Q209 PolarHBondContact O-N 2.78Å; M205-Q209 HydrophobicContact SD-CG 4.36Å; L206-Q209 PolarHBondContact O-N 2.97Å; Y207-Q209 VanDerWaalsContact C-N 3.33Å; Y207-Q209 PolarHBondContact O-N 3.27Å; Q209-E212 WeakPolarHBondContact O-CG 3.47Å; Q209-K213 WeakPolarHBondContact O-CE 3.38Å; Q209-K213 PolarHBondContact O-NZ 3.48Å
210E95.1Very high93.4Very high52 Ų5238.7 Ų38.724%0.24319%0.193CC..Hα-helixtrans-80.7-40.8170.2-64.3-68.7-154.200111.7R142 L143 L146 L206 Y207 M208 E212 K213R142-E210 WeakPolarHBondContact CD-OE1 3.21Å; R142-E210 IonicContact CZ-OE1 3.61Å; R142-E210 IonicContact NE-OE1 3.88Å; R142-E210 IonicContact NH1-OE1 2.71Å; R142-E210 PolarHBondContact NH1-OE1 3.44Å; L143-E210 HydrophobicContact CD2-CB 3.88Å; L146-E210 HydrophobicContact CD1-CG 4.47Å; L206-E210 WeakPolarHBondContact O-CG 3.27Å; L206-E210 PolarHBondContact O-N 3.14Å; Y207-E210 PolarHBondContact O-N 2.6Å; Y207-E210 VanDerWaalsContact O-N 3.14Å; M208-E210 VanDerWaalsContact C-N 3.29Å; M208-E210 PolarHBondContact O-N 2.83Å; E210-E212 PolarHBondContact O-N 3.44Å; E210-K213 PolarHBondContact O-N 2.62Å; E210-K213 IonicContact OE2-NZ 3.8Å; E210-K213 PolarHBondContact OE2-NZ 3.25Å
211V95.9Very high93.3Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-66.8-33.4179.6-1780000112.9L124 V128 I133 L143 Y207 M208 K213 L214 Y217L124-V211 HydrophobicContact CB-CG1 4.15Å; L124-V211 HydrophobicContact CD1-CG1 4.46Å; L124-V211 HydrophobicContact CD2-CG1 3.83Å; L124-V211 HydrophobicContact CG-CG1 4.37Å; V128-V211 HydrophobicContact CG2-CG1 4.32Å; V128-V211 HydrophobicContact CG2-CG2 4.15Å; I133-V211 HydrophobicContact CD1-CG1 3.53Å; I133-V211 HydrophobicContact CG2-CG1 4.19Å; L143-V211 HydrophobicContact CD1-CG2 3.85Å; L143-V211 HydrophobicContact CD2-CG2 3.57Å; L143-V211 HydrophobicContact CG-CG2 4.39Å; Y207-V211 HydrophobicContact CD1-CG2 3.88Å; Y207-V211 HydrophobicContact CE1-CG2 3.51Å; Y207-V211 WeakPolarHBondContact O-CG2 3.44Å; Y207-V211 PolarHBondContact O-N 2.86Å; M208-V211 PolarHBondContact O-N 3.2Å; V211-K213 PolarHBondContact O-N 3.11Å; V211-L214 HydrophobicContact CG2-CD1 4.46Å; V211-L214 WeakPolarHBondContact O-CB 3.44Å; V211-L214 PolarHBondContact O-N 2.88Å; V211-Y217 HydrophobicContact CG1-CD2 4.3Å
212E94.1Very high93.1Very high48 Ų4839.5 Ų39.522%0.22419%0.193CC..THydrogen-bonded Turntrans-61.3-17.2176.973.1179.7-171.200113.8S107 V108 M208 Q209 E210 Y217S107-E212 VanDerWaalsContact CA-OE2 3.24Å; S107-E212 WeakPolarHBondContact CA-OE2 3.43Å; V108-E212 HydrophobicContact CG1-CB 4.36Å; V108-E212 WeakPolarHBondContact CG1-OE2 3.23Å; V108-E212 WeakPolarHBondContact CG2-OE2 2.81Å; V108-E212 PolarHBondContact N-OE2 2.95Å; M208-E212 PolarHBondContact O-N 2.81Å; Q209-E212 WeakPolarHBondContact O-CG 3.47Å; E210-E212 PolarHBondContact O-N 3.44Å; E212-Y217 HydrophobicContact CB-CD1 4.22Å; E212-Y217 HydrophobicContact CB-CE1 3.86Å; E212-Y217 HydrophobicContact CB-CE2 4.2Å
213K92Very high93Very high137 Ų13738.8 Ų38.860%0.59619%0.19SC*.THydrogen-bonded Turntrans-90.9-6.7177.6-48.2-171.9-168.382.50114Q209 E210 V211Q209-K213 WeakPolarHBondContact O-CE 3.38Å; Q209-K213 PolarHBondContact O-NZ 3.48Å; E210-K213 PolarHBondContact O-N 2.62Å; E210-K213 IonicContact OE2-NZ 3.8Å; E210-K213 PolarHBondContact OE2-NZ 3.25Å; V211-K213 PolarHBondContact O-N 3.11Å
214L92.8Very high92.9Very high18 Ų1839 Ų399%0.09419%0.191CC..SBendtrans-89.8151.3-171.1-62.6-176.7000113.7I133 C135 Q139 L143 V211 G216 Y217I133-L214 HydrophobicContact CG2-CB 3.57Å; I133-L214 HydrophobicContact CG2-CD1 3.8Å; I133-L214 HydrophobicContact CG2-CG 4.35Å; C135-L214 HydrophobicContact CB-CD1 3.97Å; Q139-L214 VanDerWaalsContact CD-CD2 3.5Å; Q139-L214 HydrophobicContact CG-CD2 4.45Å; L143-L214 HydrophobicContact CD1-CD1 3.98Å; V211-L214 HydrophobicContact CG2-CD1 4.46Å; V211-L214 WeakPolarHBondContact O-CB 3.44Å; V211-L214 PolarHBondContact O-N 2.88Å; L214-G216 PolarHBondContact O-N 3.34Å; L214-Y217 WeakPolarHBondContact O-CB 3.42Å; L214-Y217 PolarHBondContact O-N 2.98Å
215E87.9Confident92.8Very high108 Ų10841.9 Ų41.951%0.50520%0.204SC..BIsolated β-bridgetrans-68.2132.6170.5-172.5171.1178.700110.4T134 K244T134-E215 PolarHBondContact N-O 3.29Å; T134-E215 PolarHBondContact OG1-O 3.1Å; E215-K244 VanDerWaalsContact OE1-CE 3.26Å; E215-K244 WeakPolarHBondContact OE1-CE 3.35Å; E215-K244 IonicContact OE1-NZ 2.69Å; E215-K244 PolarHBondContact OE1-NZ 3.07Å
216G88Confident92.6Very high9 Ų940.7 Ų40.79%0.09320%0.198CC..THydrogen-bonded Turntrans103-20.4-171.600000113.7L214 G218 Q219L214-G216 PolarHBondContact O-N 3.34Å; G216-G218 PolarHBondContact O-N 2.91Å; G216-G218 VanDerWaalsContact O-N 3.15Å; G216-Q219 WeakPolarHBondContact O-CB 3.44Å; G216-Q219 PolarHBondContact O-N 3.22Å
217Y92.6Very high92.2Very high14 Ų1445 Ų456%0.05522%0.222CC..THydrogen-bonded Turntrans-55.7121.8178178.8-109.4000111.6Y104 I105 L124 V211 E212 L214 Q219 L238Y104-Y217 HydrophobicContact CD1-CD2 4.3Å; Y104-Y217 AromaticContact CD1-CE2 3.85Å; Y104-Y217 HydrophobicContact CD1-CE2 3.85Å; I105-Y217 WeakPolarHBondContact O-CE1 3.18Å; I105-Y217 PolarHBondContact O-OH 3.2Å; L124-Y217 HydrophobicContact CD1-CE2 4.15Å; L124-Y217 HydrophobicContact CD2-CD2 3.72Å; L124-Y217 HydrophobicContact CD2-CE2 3.66Å; V211-Y217 HydrophobicContact CG1-CD2 4.3Å; E212-Y217 HydrophobicContact CB-CD1 4.22Å; E212-Y217 HydrophobicContact CB-CE1 3.86Å; E212-Y217 HydrophobicContact CB-CE2 4.2Å; L214-Y217 WeakPolarHBondContact O-CB 3.42Å; L214-Y217 PolarHBondContact O-N 2.98Å; Y217-Q219 PolarHBondContact O-N 2.92Å; Y217-L238 HydrophobicContact CD1-CD1 4.15Å; Y217-L238 HydrophobicContact CE1-CD1 3.92Å
218G89.3Confident91.7Very high4 Ų449.7 Ų49.74%0.04125%0.251CS..THydrogen-bonded Turntrans64.213.5-177.100000116.5Y104 G216Y104-G218 VanDerWaalsContact CG-CA 3.44Å; G216-G218 PolarHBondContact O-N 2.91Å; G216-G218 VanDerWaalsContact O-N 3.15Å
219Q90.5Very high91.2Very high61 Ų6151.6 Ų51.629%0.28527%0.271SS..  trans-91.1124.6179.9-59.2-174.72300111.4G216 Y217 S236 C237 F242G216-Q219 WeakPolarHBondContact O-CB 3.44Å; G216-Q219 PolarHBondContact O-N 3.22Å; Y217-Q219 PolarHBondContact O-N 2.92Å; Q219-S236 WeakPolarHBondContact CA-O 3.3Å; Q219-C237 HydrophobicContact CG-CB 4.1Å; Q219-F242 HydrophobicContact CB-CE1 3.91Å; Q219-F242 HydrophobicContact CB-CZ 4.07Å; Q219-F242 HydrophobicContact CG-CE1 3.9Å; Q219-F242 HydrophobicContact CG-CZ 4.34Å
220E90.2Very high90.9Very high30 Ų3051.7 Ų51.714%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-113.2127.5166.5-166.4-178.4152.800109.1W77 Y222 G235 S236 Y292 R300W77-E220 PolarHBondContact NE1-OE2 2.97Å; W77-E220 VanDerWaalsContact NE1-OE2 3.16Å; E220-Y222 HydrophobicContact CG-CE1 3.95Å; E220-Y222 WeakPolarHBondContact OE1-CE1 3.3Å; E220-Y222 PolarHBondContact OE1-OH 2.93Å; E220-G235 CarbonylContact O-C 3.58Å; E220-G235 WeakPolarHBondContact O-CA 3.31Å; E220-S236 PolarHBondContact N-O 3.24Å; E220-S236 PolarHBondContact O-N 3.01Å; E220-Y292 PolarHBondContact OE1-OH 3.12Å; E220-R300 IonicContact OE2-CZ 3.72Å; E220-R300 VanDerWaalsContact OE2-CZ 3.25Å; E220-R300 IonicContact OE2-NH1 2.7Å; E220-R300 PolarHBondContact OE2-NH1 3.31Å; E220-R300 IonicContact OE2-NH2 2.67Å; E220-R300 PolarHBondContact OE2-NH2 2.93Å
221S90.5Very high90.8Very high59 Ų5952 Ų5241%0.41328%0.279SS..EExtended strand (participates in β ladder)trans-121.6145.9-168.9-66.50000112.9F242S221-F242 WeakPolarHBondContact OG-CZ 3.19Å
222Y91.3Very high90.6Very high25 Ų2552 Ų5210%0.09828%0.279CS..EExtended strand (participates in β ladder)trans-135.7149-179.5-44.5-64.5000110.4E220 T233 L234 Y292 V293E220-Y222 HydrophobicContact CG-CE1 3.95Å; E220-Y222 WeakPolarHBondContact OE1-CE1 3.3Å; E220-Y222 PolarHBondContact OE1-OH 2.93Å; Y222-T233 CarbonylContact O-C 3.52Å; Y222-T233 WeakPolarHBondContact O-CA 3.47Å; Y222-L234 PolarHBondContact N-O 3.44Å; Y222-L234 PolarHBondContact O-N 3.03Å; Y222-Y292 HydrophobicContact CE1-CD1 4.31Å; Y222-Y292 AromaticContact CE1-CE1 3.76Å; Y222-Y292 HydrophobicContact CE1-CE1 3.76Å; Y222-Y292 AromaticContact CZ-CE1 3.98Å; Y222-V293 HydrophobicContact CD1-CG2 4.18Å; Y222-V293 HydrophobicContact CD2-CB 4.17Å; Y222-V293 HydrophobicContact CD2-CG1 3.74Å; Y222-V293 HydrophobicContact CD2-CG2 3.45Å; Y222-V293 VanDerWaalsContact CD2-CG2 3.45Å; Y222-V293 HydrophobicContact CE1-CG2 4.47Å; Y222-V293 HydrophobicContact CE2-CB 4.17Å; Y222-V293 HydrophobicContact CE2-CG1 3.82Å; Y222-V293 HydrophobicContact CE2-CG2 3.75Å; Y222-V293 HydrophobicContact CG-CG2 3.65Å
223Q91.9Very high90.6Very high83 Ų8351.2 Ų51.239%0.38828%0.277SS..EExtended strand (participates in β ladder)trans-79.3138.8169.7-64.6-59.2-75.100110.3T233Q223-T233 PolarHBondContact NE2-OG1 3.03Å
224A93.5Very high90.6Very high4 Ų444.7 Ų44.73%0.03325%0.248CC..EExtended strand (participates in β ladder)trans-153.5178.4175.100000110.1V232 L234 F282 Q283 T284A224-V232 HydrophobicContact CB-CG2 4.17Å; A224-V232 PolarHBondContact N-O 3.05Å; A224-V232 PolarHBondContact O-N 2.84Å; A224-L234 HydrophobicContact CB-CB 4.19Å; A224-F282 HydrophobicContact CB-CB 4.26Å; A224-Q283 CarbonylContact C-O 3.49Å; A224-Q283 VanDerWaalsContact CA-O 3.26Å; A224-Q283 WeakPolarHBondContact CA-O 3.44Å; A224-T284 HydrophobicContact CB-CG2 4.37Å
225K93.1Very high90.5Very high75 Ų7543.9 Ų43.933%0.32624%0.244SC..EExtended strand (participates in β ladder)trans-121.1146167.3-60.5173.8-175.2-68.40109.5V230 D231 F282 Q283K225-V230 CarbonylContact C-O 3.56Å; K225-V230 VanDerWaalsContact CA-O 3.23Å; K225-V230 WeakPolarHBondContact CA-O 3.39Å; K225-D231 IonicContact NZ-OD1 2.68Å; K225-D231 PolarHBondContact NZ-OD1 2.95Å; K225-F282 CarbonylContact O-C 3.54Å; K225-F282 VanDerWaalsContact O-CA 3.29Å; K225-F282 WeakPolarHBondContact O-CA 3.42Å; K225-Q283 HydrophobicContact CB-CB 4.38Å; K225-Q283 PolarHBondContact N-O 3.41Å; K225-Q283 PolarHBondContact O-N 2.94Å
226D91.1Very high90.7Very high13 Ų1338.8 Ų38.87%0.0722%0.22CC..  trans-78.2-178.1172.277.74.1000112.2T228 G229 V230 V232 Y245 F282D226-T228 PolarHBondContact O-N 3.45Å; D226-T228 VanDerWaalsContact O-N 3.15Å; D226-T228 WeakPolarHBondContact OD1-CA 3.22Å; D226-T228 WeakPolarHBondContact OD1-CB 3.33Å; D226-T228 PolarHBondContact OD1-N 2.78Å; D226-T228 PolarHBondContact OD1-OG1 3.24Å; D226-G229 PolarHBondContact O-N 3.05Å; D226-G229 PolarHBondContact OD1-N 2.87Å; D226-V230 PolarHBondContact N-O 3.34Å; D226-V230 PolarHBondContact OD1-N 3.42Å; D226-V232 HydrophobicContact CB-CG1 4.31Å; D226-Y245 WeakPolarHBondContact OD2-CE1 3.37Å; D226-Y245 PolarHBondContact OD2-OH 3.4Å; D226-F282 HydrophobicContact CB-CD1 4.43Å
227N86.4Confident90.7Very high142 Ų14239.1 Ų39.176%0.75922%0.222SC*.THydrogen-bonded Turntrans-66.8-8.2179.467.6-22.8000114.5
228T87.1Confident90.5Very high104 Ų10440.6 Ų40.664%0.63823%0.23SC*.THydrogen-bonded Turntrans-96.8-2.9170.672.70000112.8D226 V230D226-T228 PolarHBondContact O-N 3.45Å; D226-T228 VanDerWaalsContact O-N 3.15Å; D226-T228 WeakPolarHBondContact OD1-CA 3.22Å; D226-T228 WeakPolarHBondContact OD1-CB 3.33Å; D226-T228 PolarHBondContact OD1-N 2.78Å; D226-T228 PolarHBondContact OD1-OG1 3.24Å; T228-V230 WeakPolarHBondContact OG1-CG2 3.42Å
229G85.3Confident90.4Very high40 Ų4044.8 Ų44.841%0.41225%0.251SS..SBendtrans84.94.9-177.200000114.4D226D226-G229 PolarHBondContact O-N 3.05Å; D226-G229 PolarHBondContact OD1-N 2.87Å
230V90.8Very high90.5Very high60 Ų6041.9 Ų41.936%0.36424%0.238SC..  trans-77133.2-180171.80000110.3K225 D226 T228 V232 Y245K225-V230 CarbonylContact C-O 3.56Å; K225-V230 VanDerWaalsContact CA-O 3.23Å; K225-V230 WeakPolarHBondContact CA-O 3.39Å; D226-V230 PolarHBondContact N-O 3.34Å; D226-V230 PolarHBondContact OD1-N 3.42Å; T228-V230 WeakPolarHBondContact OG1-CG2 3.42Å; V230-V232 PolarHBondContact O-N 2.73Å; V230-Y245 HydrophobicContact CG1-CD1 4.29Å
231D91.9Very high90.7Very high59 Ų5940.4 Ų40.432%0.31623%0.231SC..EExtended strand (participates in β ladder)trans-58.9124.7175.2-88.527.9000112.5K225 K246K225-D231 IonicContact NZ-OD1 2.68Å; K225-D231 PolarHBondContact NZ-OD1 2.95Å; D231-K246 HydrophobicContact CB-CD 3.75Å; D231-K246 HydrophobicContact CB-CG 4.43Å; D231-K246 IonicContact OD2-NZ 2.76Å; D231-K246 PolarHBondContact OD2-NZ 3.43Å
232V93.1Very high90.8Very high0 Ų038.2 Ų38.20%021%0.214CC..EExtended strand (participates in β ladder)trans-132.1148.6176.4-64.80000111.3A224 D226 V230 V243 Y245 F282A224-V232 HydrophobicContact CB-CG2 4.17Å; A224-V232 PolarHBondContact N-O 3.05Å; A224-V232 PolarHBondContact O-N 2.84Å; D226-V232 HydrophobicContact CB-CG1 4.31Å; V230-V232 PolarHBondContact O-N 2.73Å; V232-V243 HydrophobicContact CB-CG1 3.69Å; V232-V243 HydrophobicContact CG1-CG1 3.84Å; V232-V243 HydrophobicContact CG2-CG1 4.01Å; V232-Y245 HydrophobicContact CG1-CD1 3.44Å; V232-Y245 VanDerWaalsContact CG1-CD1 3.44Å; V232-Y245 HydrophobicContact CG1-CE1 3.46Å; V232-Y245 VanDerWaalsContact CG1-CE1 3.46Å; V232-Y245 HydrophobicContact CG1-CG 4.02Å; V232-F282 HydrophobicContact CG2-CD1 4.19Å
233T92.6Very high90.8Very high30 Ų3037 Ų3718%0.18421%0.209CC..EExtended strand (participates in β ladder)trans-93.3104.1165.3-57.70000107.7Y222 Q223 K244Y222-T233 CarbonylContact O-C 3.52Å; Y222-T233 WeakPolarHBondContact O-CA 3.47Å; Q223-T233 PolarHBondContact NE2-OG1 3.03Å; T233-K244 PolarHBondContact N-O 3.02Å; T233-K244 PolarHBondContact O-N 3.03Å
234L92.6Very high90.8Very high1 Ų136 Ų361%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-88.1124.8175.4172.671.8000108.3Y222 A224 I241 V243 F269 F282 V293Y222-L234 PolarHBondContact N-O 3.44Å; Y222-L234 PolarHBondContact O-N 3.03Å; A224-L234 HydrophobicContact CB-CB 4.19Å; L234-I241 HydrophobicContact CD1-CG2 3.6Å; L234-V243 HydrophobicContact CD1-CG2 4Å; L234-F269 HydrophobicContact CD2-CD1 3.57Å; L234-F269 HydrophobicContact CD2-CE1 3.99Å; L234-F282 HydrophobicContact CD1-CD2 4.08Å; L234-F282 HydrophobicContact CD1-CE2 4.15Å; L234-F282 HydrophobicContact CD1-CG 4.4Å; L234-F282 HydrophobicContact CD2-CB 4.24Å; L234-F282 HydrophobicContact CD2-CD2 4.32Å; L234-F282 HydrophobicContact CD2-CG 4.34Å; L234-V293 HydrophobicContact CD2-CG1 4.08Å
235G90.5Very high90.5Very high1 Ų137.1 Ų37.11%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-140171.818000000114E220 I241 F242E220-G235 CarbonylContact O-C 3.58Å; E220-G235 WeakPolarHBondContact O-CA 3.31Å; G235-I241 CarbonylContact O-C 3.55Å; G235-I241 WeakPolarHBondContact O-CA 3.4Å; G235-I241 WeakPolarHBondContact O-CG2 3.49Å; G235-F242 PolarHBondContact N-O 3.02Å; G235-F242 PolarHBondContact O-N 3.29Å
236S91.6Very high90Very high0 Ų039.3 Ų39.30%022%0.217CC..EExtended strand (participates in β ladder)trans-127.3141.1177.855.10000110Q219 E220 R300Q219-S236 WeakPolarHBondContact CA-O 3.3Å; E220-S236 PolarHBondContact N-O 3.24Å; E220-S236 PolarHBondContact O-N 3.01Å; S236-R300 WeakPolarHBondContact OG-CD 3.22Å; S236-R300 PolarHBondContact OG-NH1 3.01Å
237C90.1Very high89.4Confident17 Ų1743.9 Ų43.912%0.11524%0.241CC..  trans-139.2-172.2-175.367.60000110.5Q219 D239 G240 F242 W256Q219-C237 HydrophobicContact CG-CB 4.1Å; C237-D239 PolarHBondContact O-N 3.39Å; C237-G240 PolarHBondContact N-O 3.03Å; C237-G240 PolarHBondContact SG-O 3.48Å; C237-F242 HydrophobicContact CB-CD1 3.99Å; C237-F242 HydrophobicContact CB-CE1 4.12Å; C237-W256 PolarHBondContact O-NE1 2.98Å
238L87.8Confident88.6Confident45 Ų4540.7 Ų40.724%0.23624%0.242CC..SBendtrans-63.4-39.5-179.3-59.2179.1000113.1Y104 P106 Y217 W256Y104-L238 WeakPolarHBondContact O-CD2 3.48Å; P106-L238 HydrophobicContact CB-CD1 4.41Å; P106-L238 HydrophobicContact CG-CD1 4.4Å; Y217-L238 HydrophobicContact CD1-CD1 4.15Å; Y217-L238 HydrophobicContact CE1-CD1 3.92Å; L238-W256 PolarHBondContact O-NE1 3.07Å
239D87.8Confident88.3Confident91 Ų9142.4 Ų42.449%0.48724%0.236SC..SBendtrans-88-22.1-176-69.9-69.4000115.1C237 L253 R255 W256C237-D239 PolarHBondContact O-N 3.39Å; D239-L253 HydrophobicContact CB-CD2 4.26Å; D239-R255 WeakPolarHBondContact O-CA 3.43Å; D239-W256 VanDerWaalsContact O-CD1 3.27Å; D239-W256 PolarHBondContact O-N 3.27Å
240G91.8Very high88Confident0 Ų044.5 Ų44.50%025%0.245CC..EExtended strand (participates in β ladder)trans168.5-157.6-171.800000115.7C237 Y254C237-G240 PolarHBondContact N-O 3.03Å; C237-G240 PolarHBondContact SG-O 3.48Å; G240-Y254 CarbonylContact C-O 3.43Å; G240-Y254 WeakPolarHBondContact CA-O 3.35Å
241I93.4Very high87.8Confident0 Ų045.5 Ų45.50%025%0.253CS..EExtended strand (participates in β ladder)trans-106124.8176-65.1177.7000108.7L234 G235 Y254 W256 I259 M262 F269 L271 C297L234-I241 HydrophobicContact CD1-CG2 3.6Å; G235-I241 CarbonylContact O-C 3.55Å; G235-I241 WeakPolarHBondContact O-CA 3.4Å; G235-I241 WeakPolarHBondContact O-CG2 3.49Å; I241-Y254 PolarHBondContact N-O 2.69Å; I241-Y254 PolarHBondContact O-N 3.01Å; I241-W256 HydrophobicContact CD1-CH2 4.25Å; I241-W256 HydrophobicContact CD1-CZ3 3.9Å; I241-W256 HydrophobicContact CG1-CH2 3.73Å; I241-W256 HydrophobicContact CG1-CZ3 3.7Å; I241-I259 HydrophobicContact CB-CD1 4.38Å; I241-I259 HydrophobicContact CD1-CD1 3.96Å; I241-I259 HydrophobicContact CG1-CD1 4.13Å; I241-M262 HydrophobicContact CD1-SD 3.52Å; I241-M262 VanDerWaalsContact CD1-SD 3.52Å; I241-F269 HydrophobicContact CD1-CE1 4.41Å; I241-F269 HydrophobicContact CD1-CZ 4.15Å; I241-L271 HydrophobicContact CD1-CD1 4.48Å; I241-L271 HydrophobicContact CD1-CD2 3.66Å; I241-L271 HydrophobicContact CG2-CD1 4.23Å; I241-C297 HydrophobicContact CD1-CB 3.89Å
242F92.4Very high87.7Confident12 Ų1245.4 Ų45.45%0.05325%0.252CS..EExtended strand (participates in β ladder)trans-107.9155-179.667.7-98.9000112.7Q219 S221 G235 C237 K244 L252 L253Q219-F242 HydrophobicContact CB-CE1 3.91Å; Q219-F242 HydrophobicContact CB-CZ 4.07Å; Q219-F242 HydrophobicContact CG-CE1 3.9Å; Q219-F242 HydrophobicContact CG-CZ 4.34Å; S221-F242 WeakPolarHBondContact OG-CZ 3.19Å; G235-F242 PolarHBondContact N-O 3.02Å; G235-F242 PolarHBondContact O-N 3.29Å; C237-F242 HydrophobicContact CB-CD1 3.99Å; C237-F242 HydrophobicContact CB-CE1 4.12Å; F242-K244 HydrophobicContact CD2-CD 4.14Å; F242-K244 HydrophobicContact CD2-CG 4.04Å; F242-K244 HydrophobicContact CE2-CD 3.89Å; F242-K244 HydrophobicContact CE2-CG 4.25Å; F242-L252 CarbonylContact C-O 3.47Å; F242-L252 WeakPolarHBondContact CA-O 3.33Å; F242-L253 HydrophobicContact CB-CD1 4.24Å
243V92.7Very high87.6Confident0 Ų048.9 Ų48.90%027%0.27CS..EExtended strand (participates in β ladder)trans-130.6106.2175.4-172.80000108.6V232 L234 Y245 P251 L252 Y254 F282V232-V243 HydrophobicContact CB-CG1 3.69Å; V232-V243 HydrophobicContact CG1-CG1 3.84Å; V232-V243 HydrophobicContact CG2-CG1 4.01Å; L234-V243 HydrophobicContact CD1-CG2 4Å; V243-Y245 HydrophobicContact CG1-CD2 4.48Å; V243-Y245 HydrophobicContact CG1-CE2 4.09Å; V243-P251 VanDerWaalsContact O-CA 3.32Å; V243-P251 WeakPolarHBondContact O-CA 3.34Å; V243-L252 HydrophobicContact CB-CB 4.31Å; V243-L252 PolarHBondContact N-O 3.03Å; V243-L252 PolarHBondContact O-N 3.31Å; V243-Y254 HydrophobicContact CG2-CE2 3.95Å; V243-F282 HydrophobicContact CG1-CE1 4.12Å; V243-F282 HydrophobicContact CG2-CE1 3.79Å; V243-F282 HydrophobicContact CG2-CE2 4.43Å; V243-F282 HydrophobicContact CG2-CZ 3.6Å
244K90.6Very high87.6Confident61 Ų6149.1 Ų49.127%0.26527%0.268SS..EExtended strand (participates in β ladder)trans-93.4121.1173.8-78.5171.5174.7174.90109E215 T233 F242 P251E215-K244 VanDerWaalsContact OE1-CE 3.26Å; E215-K244 WeakPolarHBondContact OE1-CE 3.35Å; E215-K244 IonicContact OE1-NZ 2.69Å; E215-K244 PolarHBondContact OE1-NZ 3.07Å; T233-K244 PolarHBondContact N-O 3.02Å; T233-K244 PolarHBondContact O-N 3.03Å; F242-K244 HydrophobicContact CD2-CD 4.14Å; F242-K244 HydrophobicContact CD2-CG 4.04Å; F242-K244 HydrophobicContact CE2-CD 3.89Å; F242-K244 HydrophobicContact CE2-CG 4.25Å; K244-P251 HydrophobicContact CG-CB 3.96Å
245Y88.9Confident87.5Confident29 Ų2954.8 Ų54.811%0.11429%0.289CS..EExtended strand (participates in β ladder)trans-88.6139.4177.9-73.7-94.7000111.2D226 V230 V232 V243 N247 R249 L252D226-Y245 WeakPolarHBondContact OD2-CE1 3.37Å; D226-Y245 PolarHBondContact OD2-OH 3.4Å; V230-Y245 HydrophobicContact CG1-CD1 4.29Å; V232-Y245 HydrophobicContact CG1-CD1 3.44Å; V232-Y245 VanDerWaalsContact CG1-CD1 3.44Å; V232-Y245 HydrophobicContact CG1-CE1 3.46Å; V232-Y245 VanDerWaalsContact CG1-CE1 3.46Å; V232-Y245 HydrophobicContact CG1-CG 4.02Å; V243-Y245 HydrophobicContact CG1-CD2 4.48Å; V243-Y245 HydrophobicContact CG1-CE2 4.09Å; Y245-N247 WeakPolarHBondContact CB-OD1 3.41Å; Y245-N247 PolarHBondContact O-N 2.81Å; Y245-N247 VanDerWaalsContact O-N 3.14Å; Y245-R249 HydrophobicContact CD2-CB 4.24Å; Y245-R249 HydrophobicContact CD2-CG 4.33Å; Y245-R249 HydrophobicContact CG-CB 4.2Å; Y245-R249 PolarHBondContact OH-NH1 3.43Å; Y245-L252 HydrophobicContact CE2-CD1 3.97Å; Y245-L252 HydrophobicContact CE2-CG 4.24Å
246K82.3Confident87.6Confident121 Ų12155 Ų5553%0.52629%0.289SS..THydrogen-bonded Turntrans-66.6-12.4178.1-62.6-174.8-174.5173.10114.2D231D231-K246 HydrophobicContact CB-CD 3.75Å; D231-K246 HydrophobicContact CB-CG 4.43Å; D231-K246 IonicContact OD2-NZ 2.76Å; D231-K246 PolarHBondContact OD2-NZ 3.43Å
247N78.3Confident87.4Confident109 Ų10960.9 Ų60.958%0.58332%0.317SS*.THydrogen-bonded Turntrans-95.116.2-176.567.54.1000114.5Y245 R249Y245-N247 WeakPolarHBondContact CB-OD1 3.41Å; Y245-N247 PolarHBondContact O-N 2.81Å; Y245-N247 VanDerWaalsContact O-N 3.14Å; N247-R249 PolarHBondContact O-N 2.56Å; N247-R249 WeakPolarHBondContact OD1-CB 3.4Å; N247-R249 PolarHBondContact OD1-N 3.26Å
248G69.4Low87.4Confident75 Ų7562.4 Ų62.477%0.77332%0.322SS*.SBendtrans75.23.7178.700000115.4
249R80.6Confident87.6Confident139 Ų13960.6 Ų60.653%0.52531%0.313SS..  trans-62.7136.5171.2-173.8-174.1-167.5-174.77.3110.1Y245 N247Y245-R249 HydrophobicContact CD2-CB 4.24Å; Y245-R249 HydrophobicContact CD2-CG 4.33Å; Y245-R249 HydrophobicContact CG-CB 4.2Å; Y245-R249 PolarHBondContact OH-NH1 3.43Å; N247-R249 PolarHBondContact O-N 2.56Å; N247-R249 WeakPolarHBondContact OD1-CB 3.4Å; N247-R249 PolarHBondContact OD1-N 3.26Å
250S79.7Confident87.5Confident84 Ų8460.2 Ų60.259%0.58731%0.314SS*.  trans-45.9134.1176.756.80000112.2L252S250-L252 PolarHBondContact O-N 2.95Å
251P85Confident87.3Confident81 Ų8163.6 Ų63.653%0.52633%0.332SS..  trans-61.5135.6179.825.2-33.5000111.1V243 K244V243-P251 VanDerWaalsContact O-CA 3.32Å; V243-P251 WeakPolarHBondContact O-CA 3.34Å; K244-P251 HydrophobicContact CG-CB 3.96Å
252L89.8Confident87.3Confident57 Ų5763.9 Ų63.930%0.29833%0.333SS..EExtended strand (participates in β ladder)trans-83.6143.7168-59.7175.3000108.7F242 V243 Y245 S250F242-L252 CarbonylContact C-O 3.47Å; F242-L252 WeakPolarHBondContact CA-O 3.33Å; V243-L252 HydrophobicContact CB-CB 4.31Å; V243-L252 PolarHBondContact N-O 3.03Å; V243-L252 PolarHBondContact O-N 3.31Å; Y245-L252 HydrophobicContact CE2-CD1 3.97Å; Y245-L252 HydrophobicContact CE2-CG 4.24Å; S250-L252 PolarHBondContact O-N 2.95Å
253L91.8Very high87.2Confident73 Ų7365.7 Ų65.738%0.38234%0.343SS..EExtended strand (participates in β ladder)trans-131118174.1175.464.5000109D239 F242D239-L253 HydrophobicContact CB-CD2 4.26Å; F242-L253 HydrophobicContact CB-CD1 4.24Å
254Y92.3Very high87.2Confident35 Ų3568.1 Ų68.114%0.13736%0.355CS..EExtended strand (participates in β ladder)trans-95.2110.6170.4-56.2-76.9000108.1G240 I241 V243 L271 L273 V280 F282G240-Y254 CarbonylContact C-O 3.43Å; G240-Y254 WeakPolarHBondContact CA-O 3.35Å; I241-Y254 PolarHBondContact N-O 2.69Å; I241-Y254 PolarHBondContact O-N 3.01Å; V243-Y254 HydrophobicContact CG2-CE2 3.95Å; Y254-L271 HydrophobicContact CD2-CD1 3.74Å; Y254-L271 HydrophobicContact CE2-CD1 4.22Å; Y254-L271 HydrophobicContact CG-CD1 4.1Å; Y254-L273 HydrophobicContact CD1-CD1 3.69Å; Y254-L273 HydrophobicContact CD1-CD2 4.05Å; Y254-L273 HydrophobicContact CE1-CD1 3.76Å; Y254-L273 HydrophobicContact CG-CD2 4.49Å; Y254-V280 HydrophobicContact CE1-CG2 4.34Å; Y254-F282 HydrophobicContact CE2-CZ 4.14Å
255R91.8Very high87.2Confident120 Ų12070.1 Ų70.145%0.45337%0.368SS..EExtended strand (participates in β ladder)trans-72.6149.8-173.8-60.7-176178.2-117.45.1111.3D239 H257 E258 I259D239-R255 WeakPolarHBondContact O-CA 3.43Å; R255-H257 VanDerWaalsContact CD-CE1 3.44Å; R255-H257 WeakPolarHBondContact CD-CE1 3.34Å; R255-H257 PolarHBondContact O-N 2.92Å; R255-E258 HydrophobicContact CB-CG 4.1Å; R255-E258 PolarHBondContact N-OE2 2.93Å; R255-E258 WeakPolarHBondContact O-CB 3.1Å; R255-E258 PolarHBondContact O-N 3.16Å; R255-I259 PolarHBondContact O-N 3.13Å
256W91.7Very high87.3Confident5 Ų577.6 Ų77.62%0.01940%0.396CS..THydrogen-bonded Turntrans-58.6-16.9-178.7-69.7130.5000115.6C237 L238 D239 I241 I259 M262 R300 L301 Y304C237-W256 PolarHBondContact O-NE1 2.98Å; L238-W256 PolarHBondContact O-NE1 3.07Å; D239-W256 VanDerWaalsContact O-CD1 3.27Å; D239-W256 PolarHBondContact O-N 3.27Å; I241-W256 HydrophobicContact CD1-CH2 4.25Å; I241-W256 HydrophobicContact CD1-CZ3 3.9Å; I241-W256 HydrophobicContact CG1-CH2 3.73Å; I241-W256 HydrophobicContact CG1-CZ3 3.7Å; W256-I259 HydrophobicContact CE3-CD1 4Å; W256-I259 HydrophobicContact CZ3-CD1 4.27Å; W256-M262 HydrophobicContact CZ3-CE 4.24Å; W256-M262 HydrophobicContact CZ3-SD 4.34Å; W256-R300 HydrophobicContact CH2-CB 3.96Å; W256-R300 HydrophobicContact CZ2-CB 3.71Å; W256-L301 HydrophobicContact CB-CD1 3.82Å; W256-L301 HydrophobicContact CD2-CB 4.48Å; W256-L301 HydrophobicContact CD2-CD1 4.04Å; W256-L301 HydrophobicContact CE3-CB 3.87Å; W256-L301 HydrophobicContact CE3-CD1 3.75Å; W256-L301 HydrophobicContact CE3-CG 4.27Å; W256-L301 HydrophobicContact CG-CD1 4.12Å; W256-L301 HydrophobicContact CZ3-CB 3.94Å; W256-Y304 HydrophobicContact CB-CD1 3.58Å; W256-Y304 HydrophobicContact CB-CD2 4.48Å; W256-Y304 HydrophobicContact CB-CE1 3.53Å; W256-Y304 HydrophobicContact CB-CE2 4.43Å; W256-Y304 HydrophobicContact CB-CG 4.08Å; W256-Y304 AromaticContact CD1-CD1 3.9Å; W256-Y304 AromaticContact CD1-CD2 3.45Å; W256-Y304 VanDerWaalsContact CD1-CD2 3.45Å; W256-Y304 AromaticContact CD1-CE2 3.87Å; W256-Y304 AromaticContact CD1-CG 3.47Å; W256-Y304 VanDerWaalsContact CD1-CG 3.47Å; W256-Y304 AromaticContact CG-CD1 3.92Å; W256-Y304 HydrophobicContact CG-CD1 3.92Å; W256-Y304 HydrophobicContact CG-CD2 4.26Å; W256-Y304 HydrophobicContact CG-CE1 4.26Å; W256-Y304 AromaticContact CG-CG 3.92Å; W256-Y304 HydrophobicContact CG-CG 3.92Å
257H88Confident87.8Confident125 Ų12573.1 Ų73.158%0.57938%0.38SS*.THydrogen-bonded Turntrans-94.2-12.5174.960.7-106.5000114.2R255R255-H257 VanDerWaalsContact CD-CE1 3.44Å; R255-H257 WeakPolarHBondContact CD-CE1 3.34Å; R255-H257 PolarHBondContact O-N 2.92Å
258E90.1Very high88.5Confident49 Ų4971.4 Ų71.423%0.22937%0.368CS..THydrogen-bonded Turntrans-86.4-28.7174.2-61.2171.1151.100111.1R255 T260 L273 S274R255-E258 HydrophobicContact CB-CG 4.1Å; R255-E258 PolarHBondContact N-OE2 2.93Å; R255-E258 WeakPolarHBondContact O-CB 3.1Å; R255-E258 PolarHBondContact O-N 3.16Å; E258-T260 PolarHBondContact O-N 3.03Å; E258-L273 CarbonylContact O-C 3.5Å; E258-L273 WeakPolarHBondContact O-CA 3.46Å; E258-S274 PolarHBondContact O-N 2.76Å; E258-S274 PolarHBondContact O-OG 3.41Å
259I90.8Very high89.7Confident6 Ų667.9 Ų67.93%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-79.7114.4-179.6-59.2161.8000110.1I241 R255 W256 M262 L273I241-I259 HydrophobicContact CB-CD1 4.38Å; I241-I259 HydrophobicContact CD1-CD1 3.96Å; I241-I259 HydrophobicContact CG1-CD1 4.13Å; R255-I259 PolarHBondContact O-N 3.13Å; W256-I259 HydrophobicContact CE3-CD1 4Å; W256-I259 HydrophobicContact CZ3-CD1 4.27Å; I259-M262 HydrophobicContact CG2-CG 3.57Å; I259-M262 HydrophobicContact CG2-SD 4.09Å; I259-L273 HydrophobicContact CG1-CD2 3.83Å
260T87.1Confident90.2Very high83 Ų8361.2 Ų61.251%0.50931%0.306SS..EExtended strand (participates in β ladder)trans-82.4-42.1176.853.10000111.7E258 E272E258-T260 PolarHBondContact O-N 3.03Å; T260-E272 PolarHBondContact N-O 2.93Å; T260-E272 WeakPolarHBondContact OG1-CB 3.47Å; T260-E272 PolarHBondContact OG1-O 3.31Å; T260-E272 VanDerWaalsContact OG1-O 3.1Å
261N87.6Confident90.8Very high71 Ų7157.2 Ų57.238%0.3828%0.278SS..EExtended strand (participates in β ladder)trans-153.3157.6-174.6179.633.7000110.7E272N261-E272 HydrophobicContact CB-CB 4.08Å; N261-E272 WeakPolarHBondContact CB-OE2 3.39Å; N261-E272 PolarHBondContact ND2-OE1 3.5Å; N261-E272 PolarHBondContact ND2-OE2 3Å; N261-E272 PolarHBondContact O-N 3.08Å
262M92.8Very high91Very high7 Ų756.5 Ų56.53%0.03427%0.268CS..EExtended strand (participates in β ladder)trans-136.4126.2179.4-67.3-176.1-73.600109.8I241 W256 I259 F269 G270 L271 C297 L298 L301I241-M262 HydrophobicContact CD1-SD 3.52Å; I241-M262 VanDerWaalsContact CD1-SD 3.52Å; W256-M262 HydrophobicContact CZ3-CE 4.24Å; W256-M262 HydrophobicContact CZ3-SD 4.34Å; I259-M262 HydrophobicContact CG2-CG 3.57Å; I259-M262 HydrophobicContact CG2-SD 4.09Å; M262-F269 HydrophobicContact CB-CE2 4.25Å; M262-F269 HydrophobicContact SD-CZ 4.24Å; M262-G270 WeakPolarHBondContact CA-O 3.36Å; M262-L271 HydrophobicContact CG-CD2 3.75Å; M262-L271 HydrophobicContact SD-CD2 4.02Å; M262-C297 HydrophobicContact CE-CB 4.11Å; M262-C297 HydrophobicContact SD-CB 3.69Å; M262-L298 HydrophobicContact CB-CD2 4.31Å; M262-L298 HydrophobicContact CB-CG 4.43Å; M262-L298 HydrophobicContact CE-CB 4.48Å; M262-L298 HydrophobicContact CE-CD2 3.79Å; M262-L298 HydrophobicContact CE-CG 4Å; M262-L301 HydrophobicContact CE-CB 3.93Å; M262-L301 HydrophobicContact CE-CD2 3.59Å; M262-L301 HydrophobicContact CE-CG 4.42Å
263N90.3Very high91Very high49 Ų4954.4 Ų54.426%0.26226%0.256SS..EExtended strand (participates in β ladder)trans-126.3169.6-173.373.454.7000111.9F269 G270 E272N263-F269 VanDerWaalsContact O-CD2 3.29Å; N263-F269 WeakPolarHBondContact O-CD2 3.29Å; N263-G270 PolarHBondContact N-O 2.93Å; N263-G270 PolarHBondContact O-N 3.26Å; N263-E272 PolarHBondContact ND2-OE1 2.74Å
264H91.7Very high90.6Very high51 Ų5154.8 Ų54.824%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-139.7141.8168.564.8-72000110.1F268 S290 C294H264-F268 CarbonylContact C-O 3.52Å; H264-F268 WeakPolarHBondContact CA-O 3.07Å; H264-S290 WeakPolarHBondContact CB-OG 3.49Å; H264-C294 HydrophobicContact CB-CB 4.08Å
265N90.8Very high89.8Confident103 Ų10358 Ų5855%0.55129%0.285SS*.EExtended strand (participates in β ladder)trans-142.1107.9178.5-176.86.1000109.5S267 F268N265-S267 PolarHBondContact O-N 3.01Å; N265-F268 PolarHBondContact N-O 3.13Å; N265-F268 WeakPolarHBondContact O-CB 3.38Å; N265-F268 PolarHBondContact O-N 3.07Å
266R91.4Very high89Confident187 Ų18760.3 Ų60.371%0.70629%0.294SS*.THydrogen-bonded Turntrans53-127.1-169.5-55.2173.1-178.9171-0.7109.5F268 M287R266-F268 VanDerWaalsContact C-N 3.32Å; R266-M287 WeakPolarHBondContact O-CA 3.48Å; R266-M287 WeakPolarHBondContact O-CG 3.22Å
267S92.1Very high87.8Confident26 Ų2670 Ų7018%0.18234%0.339CS..THydrogen-bonded Turntrans-79-3.2175.3440000114.7N265 T284N265-S267 PolarHBondContact O-N 3.01Å; S267-T284 WeakPolarHBondContact CB-O 3.46Å; S267-T284 PolarHBondContact O-N 2.88Å; S267-T284 PolarHBondContact O-OG1 2.93Å; S267-T284 VanDerWaalsContact O-OG1 3.08Å
268F93.2Very high87.2Confident74 Ų7471.8 Ų71.833%0.32535%0.348SS..EExtended strand (participates in β ladder)trans-90.6135.3178.3-62.7-90.3000111.1H264 N265 R266 F282 Q283 S290H264-F268 CarbonylContact C-O 3.52Å; H264-F268 WeakPolarHBondContact CA-O 3.07Å; N265-F268 PolarHBondContact N-O 3.13Å; N265-F268 WeakPolarHBondContact O-CB 3.38Å; N265-F268 PolarHBondContact O-N 3.07Å; R266-F268 VanDerWaalsContact C-N 3.32Å; F268-F282 CarbonylContact C-O 3.55Å; F268-F282 WeakPolarHBondContact CA-O 3.29Å; F268-Q283 HydrophobicContact CD1-CB 3.93Å; F268-Q283 HydrophobicContact CD1-CG 4.49Å; F268-Q283 HydrophobicContact CE1-CB 3.69Å; F268-Q283 HydrophobicContact CE1-CG 4.09Å; F268-Q283 HydrophobicContact CZ-CB 4.33Å; F268-Q283 HydrophobicContact CZ-CG 4.24Å; F268-S290 PolarHBondContact O-OG 2.88Å
269F94.8Very high86.9Confident0 Ų071.6 Ų71.60%035%0.352CS..EExtended strand (participates in β ladder)trans-107129.6168.1168.6-114.3000108.5L234 I241 M262 N263 L271 Q281 F282 S290 V293 C294 C297L234-F269 HydrophobicContact CD2-CD1 3.57Å; L234-F269 HydrophobicContact CD2-CE1 3.99Å; I241-F269 HydrophobicContact CD1-CE1 4.41Å; I241-F269 HydrophobicContact CD1-CZ 4.15Å; M262-F269 HydrophobicContact CB-CE2 4.25Å; M262-F269 HydrophobicContact SD-CZ 4.24Å; N263-F269 VanDerWaalsContact O-CD2 3.29Å; N263-F269 WeakPolarHBondContact O-CD2 3.29Å; F269-L271 HydrophobicContact CE1-CD2 3.6Å; F269-L271 HydrophobicContact CE1-CG 4.21Å; F269-L271 HydrophobicContact CE2-CD2 4.36Å; F269-L271 HydrophobicContact CZ-CD2 3.45Å; F269-L271 VanDerWaalsContact CZ-CD2 3.45Å; F269-L271 HydrophobicContact CZ-CG 4.48Å; F269-Q281 WeakPolarHBondContact O-CA 3.24Å; F269-F282 HydrophobicContact CD1-CD2 4.31Å; F269-F282 PolarHBondContact N-O 3.44Å; F269-F282 PolarHBondContact O-N 3.34Å; F269-S290 PolarHBondContact N-OG 3.01Å; F269-V293 HydrophobicContact CD1-CG1 4.15Å; F269-V293 HydrophobicContact CE1-CG1 4.26Å; F269-V293 HydrophobicContact CG-CG1 4.27Å; F269-C294 HydrophobicContact CD2-CB 3.79Å; F269-C294 HydrophobicContact CE2-CB 3.91Å; F269-C297 HydrophobicContact CZ-CB 4.21Å
270G91.6Very high86.9Confident0 Ų072.6 Ų72.60%036%0.358CS..EExtended strand (participates in β ladder)trans-119.6136.8-172.200000113.4M262 N263 V280M262-G270 WeakPolarHBondContact CA-O 3.36Å; N263-G270 PolarHBondContact N-O 2.93Å; N263-G270 PolarHBondContact O-N 3.26Å; G270-V280 CarbonylContact C-O 3.57Å; G270-V280 WeakPolarHBondContact CA-O 3.35Å
271L92.3Very high87.1Confident0 Ų072.4 Ų72.40%035%0.352CS..EExtended strand (participates in β ladder)trans-109.2124.7170.6-55.7-177.8000109.6I241 Y254 M262 F269 L273 S279 V280 F282I241-L271 HydrophobicContact CD1-CD1 4.48Å; I241-L271 HydrophobicContact CD1-CD2 3.66Å; I241-L271 HydrophobicContact CG2-CD1 4.23Å; Y254-L271 HydrophobicContact CD2-CD1 3.74Å; Y254-L271 HydrophobicContact CE2-CD1 4.22Å; Y254-L271 HydrophobicContact CG-CD1 4.1Å; M262-L271 HydrophobicContact CG-CD2 3.75Å; M262-L271 HydrophobicContact SD-CD2 4.02Å; F269-L271 HydrophobicContact CE1-CD2 3.6Å; F269-L271 HydrophobicContact CE1-CG 4.21Å; F269-L271 HydrophobicContact CE2-CD2 4.36Å; F269-L271 HydrophobicContact CZ-CD2 3.45Å; F269-L271 VanDerWaalsContact CZ-CD2 3.45Å; F269-L271 HydrophobicContact CZ-CG 4.48Å; L271-L273 HydrophobicContact CB-CD2 4.49Å; L271-S279 CarbonylContact O-C 3.56Å; L271-S279 VanDerWaalsContact O-CA 3.26Å; L271-S279 WeakPolarHBondContact O-CA 3.23Å; L271-V280 HydrophobicContact CB-CB 4.44Å; L271-V280 PolarHBondContact N-O 3.13Å; L271-V280 PolarHBondContact O-N 2.8Å; L271-F282 HydrophobicContact CD1-CE2 4.07Å; L271-F282 HydrophobicContact CG-CE2 4.42Å
272E89.9Confident87.4Confident66 Ų6669.2 Ų69.231%0.30833%0.334SS..EExtended strand (participates in β ladder)trans-96.6129.2166.6-70.6155.3-13200107.8T260 N261 N263T260-E272 PolarHBondContact N-O 2.93Å; T260-E272 WeakPolarHBondContact OG1-CB 3.47Å; T260-E272 PolarHBondContact OG1-O 3.31Å; T260-E272 VanDerWaalsContact OG1-O 3.1Å; N261-E272 HydrophobicContact CB-CB 4.08Å; N261-E272 WeakPolarHBondContact CB-OE2 3.39Å; N261-E272 PolarHBondContact ND2-OE1 3.5Å; N261-E272 PolarHBondContact ND2-OE2 3Å; N261-E272 PolarHBondContact O-N 3.08Å; N263-E272 PolarHBondContact ND2-OE1 2.74Å
273L89.3Confident87.5Confident12 Ų1272.7 Ų72.76%0.06335%0.35CS..EExtended strand (participates in β ladder)trans-116.6144-173.6-59.6176.6000110.4Y254 E258 I259 L271 N275 R276 V280Y254-L273 HydrophobicContact CD1-CD1 3.69Å; Y254-L273 HydrophobicContact CD1-CD2 4.05Å; Y254-L273 HydrophobicContact CE1-CD1 3.76Å; Y254-L273 HydrophobicContact CG-CD2 4.49Å; E258-L273 CarbonylContact O-C 3.5Å; E258-L273 WeakPolarHBondContact O-CA 3.46Å; I259-L273 HydrophobicContact CG1-CD2 3.83Å; L271-L273 HydrophobicContact CB-CD2 4.49Å; L273-N275 PolarHBondContact O-N 3.31Å; L273-N275 VanDerWaalsContact O-N 3.17Å; L273-R276 PolarHBondContact O-N 2.88Å; L273-V280 HydrophobicContact CD1-CG2 3.87Å
274S83.1Confident87.6Confident81 Ų8170.4 Ų70.457%0.56634%0.338SS*.THydrogen-bonded Turntrans-67.4-13.9-179.957.10000114.1E258E258-S274 PolarHBondContact O-N 2.76Å; E258-S274 PolarHBondContact O-OG 3.41Å
275N76.3Confident87.6Confident103 Ų10373.4 Ų73.455%0.55136%0.356SS*.THydrogen-bonded Turntrans-1159.1-17462.811.7000114.1L273L273-N275 PolarHBondContact O-N 3.31Å; L273-N275 VanDerWaalsContact O-N 3.17Å
276R74.6Confident87.5Confident169 Ų16970.8 Ų70.864%0.63834%0.342SS*.  trans-142.8139.7177.3-66.8-172.1179.2-139.1-3.6111.7L273 E278L273-R276 PolarHBondContact O-N 2.88Å; R276-E278 VanDerWaalsContact C-N 3.33Å
277E66.7Low87.6Confident207 Ų20767.2 Ų67.297%0.96734%0.335SS*.SBendtrans-73.7-26.2174.1-59.4-173.3154.300112.5
278E75.2Confident87.5Confident163 Ų16370.3 Ų70.376%0.76235%0.346SS*.SBendtrans-96.6134.1178.8-63.7-171.9152.700112.5R276R276-E278 VanDerWaalsContact C-N 3.33Å
279S83.3Confident87.4Confident46 Ų4667 Ų6732%0.32233%0.332SS..PPolyproline II helixtrans-69.3131.8171.764.80000111.4L271 Q281L271-S279 CarbonylContact O-C 3.56Å; L271-S279 VanDerWaalsContact O-CA 3.26Å; L271-S279 WeakPolarHBondContact O-CA 3.23Å; S279-Q281 PolarHBondContact OG-NE2 3.12Å
280V90.2Very high87.3Confident26 Ų2667 Ų6716%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-76.4130.9169.3-1730000108.5Y254 G270 L271 L273 F282Y254-V280 HydrophobicContact CE1-CG2 4.34Å; G270-V280 CarbonylContact C-O 3.57Å; G270-V280 WeakPolarHBondContact CA-O 3.35Å; L271-V280 HydrophobicContact CB-CB 4.44Å; L271-V280 PolarHBondContact N-O 3.13Å; L271-V280 PolarHBondContact O-N 2.8Å; L273-V280 HydrophobicContact CD1-CG2 3.87Å; V280-F282 HydrophobicContact CB-CE2 4.49Å; V280-F282 HydrophobicContact CG1-CE1 4.34Å; V280-F282 HydrophobicContact CG1-CE2 3.67Å; V280-F282 HydrophobicContact CG1-CZ 3.51Å
281Q92Very high87.3Confident80 Ų8072.6 Ų72.637%0.37436%0.356SS..EExtended strand (participates in β ladder)trans-126.8140.3-177-62.6-176.719.200112F269 S279F269-Q281 WeakPolarHBondContact O-CA 3.24Å; S279-Q281 PolarHBondContact OG-NE2 3.12Å
282F93.8Very high87.4Confident4 Ų473.5 Ų73.52%0.01836%0.36CS..EExtended strand (participates in β ladder)trans-125.2131.8177.8-56.3-80.7000109.7A224 K225 D226 V232 L234 V243 Y254 F268 F269 L271 V280A224-F282 HydrophobicContact CB-CB 4.26Å; K225-F282 CarbonylContact O-C 3.54Å; K225-F282 VanDerWaalsContact O-CA 3.29Å; K225-F282 WeakPolarHBondContact O-CA 3.42Å; D226-F282 HydrophobicContact CB-CD1 4.43Å; V232-F282 HydrophobicContact CG2-CD1 4.19Å; L234-F282 HydrophobicContact CD1-CD2 4.08Å; L234-F282 HydrophobicContact CD1-CE2 4.15Å; L234-F282 HydrophobicContact CD1-CG 4.4Å; L234-F282 HydrophobicContact CD2-CB 4.24Å; L234-F282 HydrophobicContact CD2-CD2 4.32Å; L234-F282 HydrophobicContact CD2-CG 4.34Å; V243-F282 HydrophobicContact CG1-CE1 4.12Å; V243-F282 HydrophobicContact CG2-CE1 3.79Å; V243-F282 HydrophobicContact CG2-CE2 4.43Å; V243-F282 HydrophobicContact CG2-CZ 3.6Å; Y254-F282 HydrophobicContact CE2-CZ 4.14Å; F268-F282 CarbonylContact C-O 3.55Å; F268-F282 WeakPolarHBondContact CA-O 3.29Å; F269-F282 HydrophobicContact CD1-CD2 4.31Å; F269-F282 PolarHBondContact N-O 3.44Å; F269-F282 PolarHBondContact O-N 3.34Å; L271-F282 HydrophobicContact CD1-CE2 4.07Å; L271-F282 HydrophobicContact CG-CE2 4.42Å; V280-F282 HydrophobicContact CB-CE2 4.49Å; V280-F282 HydrophobicContact CG1-CE1 4.34Å; V280-F282 HydrophobicContact CG1-CE2 3.67Å; V280-F282 HydrophobicContact CG1-CZ 3.51Å
283Q94.8Very high87.5Confident79 Ų7970.4 Ų70.437%0.36935%0.346SS..EExtended strand (participates in β ladder)trans-89114.6176.2-176.9179.7-16.900109.9A224 K225 F268A224-Q283 CarbonylContact C-O 3.49Å; A224-Q283 VanDerWaalsContact CA-O 3.26Å; A224-Q283 WeakPolarHBondContact CA-O 3.44Å; K225-Q283 HydrophobicContact CB-CB 4.38Å; K225-Q283 PolarHBondContact N-O 3.41Å; K225-Q283 PolarHBondContact O-N 2.94Å; F268-Q283 HydrophobicContact CD1-CB 3.93Å; F268-Q283 HydrophobicContact CD1-CG 4.49Å; F268-Q283 HydrophobicContact CE1-CB 3.69Å; F268-Q283 HydrophobicContact CE1-CG 4.09Å; F268-Q283 HydrophobicContact CZ-CB 4.33Å; F268-Q283 HydrophobicContact CZ-CG 4.24Å
284T93.3Very high87.7Confident1 Ų170 Ų701%0.00634%0.344CS..  trans-85.5168.5167.164.60000110.8A224 S267 D286 T289 S290A224-T284 HydrophobicContact CB-CG2 4.37Å; S267-T284 WeakPolarHBondContact CB-O 3.46Å; S267-T284 PolarHBondContact O-N 2.88Å; S267-T284 PolarHBondContact O-OG1 2.93Å; S267-T284 VanDerWaalsContact O-OG1 3.08Å; T284-D286 VanDerWaalsContact C-N 3.28Å; T284-D286 PolarHBondContact O-N 3.04Å; T284-D286 PolarHBondContact OG1-O 2.91Å; T284-T289 HydrophobicContact CG2-CG2 4.09Å; T284-S290 WeakPolarHBondContact OG1-CA 3.4Å; T284-S290 VanDerWaalsContact OG1-CB 3.31Å; T284-S290 WeakPolarHBondContact OG1-CB 3.44Å; T284-S290 PolarHBondContact OG1-N 3.39Å; T284-S290 VanDerWaalsContact OG1-N 3.13Å
285D90.3Very high88.2Confident115 Ų11568.2 Ų68.262%0.61533%0.325SS*.SBendtrans-55.6-40.9-179.1-55.1-40.2000113.2
286D90.2Very high89Confident48 Ų4863.6 Ų63.626%0.25730%0.3SS..SBendtrans-146.8171.3-175.68090000113.7T284 E288 T289 S290T284-D286 VanDerWaalsContact C-N 3.28Å; T284-D286 PolarHBondContact O-N 3.04Å; T284-D286 PolarHBondContact OG1-O 2.91Å; D286-E288 VanDerWaalsContact OD1-CA 3.26Å; D286-E288 WeakPolarHBondContact OD1-CA 3.46Å; D286-E288 WeakPolarHBondContact OD1-CB 3.34Å; D286-E288 PolarHBondContact OD1-N 2.96Å; D286-T289 PolarHBondContact OD1-N 3.42Å; D286-T289 WeakPolarHBondContact OD2-CB 3.45Å; D286-T289 PolarHBondContact OD2-OG1 2.98Å; D286-S290 PolarHBondContact O-N 2.97Å; D286-S290 VanDerWaalsContact O-N 3.07Å
287M92.3Very high89.9Confident112 Ų11255.6 Ų55.655%0.55227%0.27SS*.Hα-helixtrans-73.8-32.4-177.4177.4179.167.300114.3R266 K291R266-M287 WeakPolarHBondContact O-CA 3.48Å; R266-M287 WeakPolarHBondContact O-CG 3.22Å; M287-K291 VanDerWaalsContact O-CB 3.25Å; M287-K291 WeakPolarHBondContact O-CB 3.4Å; M287-K291 PolarHBondContact O-N 3.06Å; M287-K291 VanDerWaalsContact O-N 3.12Å
288E89.9Confident91.1Very high90 Ų9049.1 Ų49.142%0.42124%0.241SC..Hα-helixtrans-71.3-35.4174.7-54.4-160.5137.600110.2K90 Y91 D286 Y292K90-E288 IonicContact NZ-OE1 3.79Å; K90-E288 PolarHBondContact NZ-OE1 3.25Å; Y91-E288 WeakPolarHBondContact CE1-OE2 3.36Å; D286-E288 VanDerWaalsContact OD1-CA 3.26Å; D286-E288 WeakPolarHBondContact OD1-CA 3.46Å; D286-E288 WeakPolarHBondContact OD1-CB 3.34Å; D286-E288 PolarHBondContact OD1-N 2.96Å; E288-Y292 WeakPolarHBondContact O-CB 3.31Å; E288-Y292 PolarHBondContact O-N 3.05Å
289T91.3Very high91.8Very high6 Ų641.7 Ų41.74%0.03721%0.208CC..Hα-helixtrans-63.2-53.3169.6-67.20000112.5R76 T284 D286 K291 Y292 V293R76-T289 PolarHBondContact NH2-OG1 2.93Å; T284-T289 HydrophobicContact CG2-CG2 4.09Å; D286-T289 PolarHBondContact OD1-N 3.42Å; D286-T289 WeakPolarHBondContact OD2-CB 3.45Å; D286-T289 PolarHBondContact OD2-OG1 2.98Å; T289-K291 VanDerWaalsContact C-N 3.26Å; T289-K291 PolarHBondContact O-N 2.84Å; T289-Y292 WeakPolarHBondContact O-CA 3.44Å; T289-Y292 WeakPolarHBondContact O-CB 3.3Å; T289-Y292 PolarHBondContact O-N 3.42Å; T289-V293 HydrophobicContact CG2-CG2 4.2Å; T289-V293 WeakPolarHBondContact O-CG2 3.37Å; T289-V293 PolarHBondContact O-N 3.29Å
290S93Very high92.2Very high0 Ų040.4 Ų40.40%020%0.196CC..Hα-helixtrans-54.7-44.6178.4171.40000111.8H264 F268 F269 T284 D286 Y292 V293 C294H264-S290 WeakPolarHBondContact CB-OG 3.49Å; F268-S290 PolarHBondContact O-OG 2.88Å; F269-S290 PolarHBondContact N-OG 3.01Å; T284-S290 WeakPolarHBondContact OG1-CA 3.4Å; T284-S290 VanDerWaalsContact OG1-CB 3.31Å; T284-S290 WeakPolarHBondContact OG1-CB 3.44Å; T284-S290 PolarHBondContact OG1-N 3.39Å; T284-S290 VanDerWaalsContact OG1-N 3.13Å; D286-S290 PolarHBondContact O-N 2.97Å; D286-S290 VanDerWaalsContact O-N 3.07Å; S290-Y292 PolarHBondContact O-N 3.49Å; S290-V293 PolarHBondContact O-N 2.93Å; S290-C294 VanDerWaalsContact O-CB 3.29Å; S290-C294 WeakPolarHBondContact O-CB 3.12Å; S290-C294 PolarHBondContact O-N 2.94Å
291K92.7Very high92.2Very high116 Ų11639.7 Ų39.750%0.50419%0.191SC..Hα-helixtrans-62.8-38.2176.1-176165.4-172.1162.20113.3M287 T289 R295M287-K291 VanDerWaalsContact O-CB 3.25Å; M287-K291 WeakPolarHBondContact O-CB 3.4Å; M287-K291 PolarHBondContact O-N 3.06Å; M287-K291 VanDerWaalsContact O-N 3.12Å; T289-K291 VanDerWaalsContact C-N 3.26Å; T289-K291 PolarHBondContact O-N 2.84Å; K291-R295 WeakPolarHBondContact O-CB 3.42Å; K291-R295 PolarHBondContact O-N 2.88Å; K291-R295 VanDerWaalsContact O-N 3.12Å
292Y92.6Very high92.1Very high20 Ų2039.3 Ų39.38%0.07819%0.188CC..Hα-helixtrans-65-50.1174.1174.4-84.2000111.3R76 W77 E220 Y222 E288 T289 S290 C294 R295 M296R76-Y292 HydrophobicContact CB-CD2 4.48Å; R76-Y292 HydrophobicContact CB-CE2 3.83Å; R76-Y292 HydrophobicContact CG-CE2 4.3Å; W77-Y292 HydrophobicContact CB-CE2 4.5Å; W77-Y292 PolarHBondContact N-OH 3.41Å; E220-Y292 PolarHBondContact OE1-OH 3.12Å; Y222-Y292 HydrophobicContact CE1-CD1 4.31Å; Y222-Y292 AromaticContact CE1-CE1 3.76Å; Y222-Y292 HydrophobicContact CE1-CE1 3.76Å; Y222-Y292 AromaticContact CZ-CE1 3.98Å; E288-Y292 WeakPolarHBondContact O-CB 3.31Å; E288-Y292 PolarHBondContact O-N 3.05Å; T289-Y292 WeakPolarHBondContact O-CA 3.44Å; T289-Y292 WeakPolarHBondContact O-CB 3.3Å; T289-Y292 PolarHBondContact O-N 3.42Å; S290-Y292 PolarHBondContact O-N 3.49Å; Y292-C294 PolarHBondContact O-N 2.75Å; Y292-R295 VanDerWaalsContact CE2-NH2 3.3Å; Y292-R295 WeakPolarHBondContact O-CB 3.48Å; Y292-R295 PolarHBondContact O-N 3.13Å; Y292-R295 VanDerWaalsContact O-N 3.13Å; Y292-M296 HydrophobicContact CD1-CG 4Å; Y292-M296 HydrophobicContact CE1-CG 3.61Å; Y292-M296 HydrophobicContact CE1-SD 4.42Å; Y292-M296 HydrophobicContact CE2-CG 4.24Å; Y292-M296 HydrophobicContact CE2-SD 4.15Å; Y292-M296 HydrophobicContact CG-CG 4.46Å; Y292-M296 WeakPolarHBondContact O-CG 3.41Å; Y292-M296 PolarHBondContact O-N 3.08Å
293V93.2Very high91.9Very high0 Ų040.1 Ų40.10%019%0.192CC..Hα-helixtrans-57.9-49.1179.3174.30000110.3Y222 L234 F269 T289 S290 R295 M296 C297Y222-V293 HydrophobicContact CD1-CG2 4.18Å; Y222-V293 HydrophobicContact CD2-CB 4.17Å; Y222-V293 HydrophobicContact CD2-CG1 3.74Å; Y222-V293 HydrophobicContact CD2-CG2 3.45Å; Y222-V293 VanDerWaalsContact CD2-CG2 3.45Å; Y222-V293 HydrophobicContact CE1-CG2 4.47Å; Y222-V293 HydrophobicContact CE2-CB 4.17Å; Y222-V293 HydrophobicContact CE2-CG1 3.82Å; Y222-V293 HydrophobicContact CE2-CG2 3.75Å; Y222-V293 HydrophobicContact CG-CG2 3.65Å; L234-V293 HydrophobicContact CD2-CG1 4.08Å; F269-V293 HydrophobicContact CD1-CG1 4.15Å; F269-V293 HydrophobicContact CE1-CG1 4.26Å; F269-V293 HydrophobicContact CG-CG1 4.27Å; T289-V293 HydrophobicContact CG2-CG2 4.2Å; T289-V293 WeakPolarHBondContact O-CG2 3.37Å; T289-V293 PolarHBondContact O-N 3.29Å; S290-V293 PolarHBondContact O-N 2.93Å; V293-R295 VanDerWaalsContact C-N 3.31Å; V293-R295 PolarHBondContact O-N 3.29Å; V293-M296 PolarHBondContact O-N 2.92Å; V293-M296 VanDerWaalsContact O-N 3.12Å; V293-C297 PolarHBondContact O-N 2.91Å; V293-C297 PolarHBondContact O-SG 2.82Å; V293-C297 VanDerWaalsContact O-SG 3.41Å
294C93.7Very high91.5Very high4 Ų439.1 Ų39.13%0.02719%0.185CC..Hα-helixtrans-53-46.7174.9-174.20000112.2H264 F269 S290 Y292 L298H264-C294 HydrophobicContact CB-CB 4.08Å; F269-C294 HydrophobicContact CD2-CB 3.79Å; F269-C294 HydrophobicContact CE2-CB 3.91Å; S290-C294 VanDerWaalsContact O-CB 3.29Å; S290-C294 WeakPolarHBondContact O-CB 3.12Å; S290-C294 PolarHBondContact O-N 2.94Å; Y292-C294 PolarHBondContact O-N 2.75Å; C294-L298 WeakPolarHBondContact O-CB 3.45Å; C294-L298 WeakPolarHBondContact O-CD1 3.15Å; C294-L298 VanDerWaalsContact O-CG 3.27Å; C294-L298 WeakPolarHBondContact O-CG 3.5Å; C294-L298 PolarHBondContact O-N 3.28Å
295R93.1Very high91.2Very high44 Ų4444.5 Ų44.517%0.16621%0.209CC..Hα-helixtrans-63.3-40.9177.5-174.6-167.765.1147.29.3112.8W77 D79 K291 Y292 V293 A299W77-R295 PolarHBondContact O-NH2 3.18Å; D79-R295 VanDerWaalsContact CA-NH1 3.27Å; D79-R295 VanDerWaalsContact CG-NH1 3.34Å; D79-R295 WeakPolarHBondContact OD2-CD 3.36Å; D79-R295 IonicContact OD2-CZ 2.73Å; D79-R295 IonicContact OD2-NH1 2.63Å; D79-R295 PolarHBondContact OD2-NH1 2.97Å; K291-R295 WeakPolarHBondContact O-CB 3.42Å; K291-R295 PolarHBondContact O-N 2.88Å; K291-R295 VanDerWaalsContact O-N 3.12Å; Y292-R295 VanDerWaalsContact CE2-NH2 3.3Å; Y292-R295 WeakPolarHBondContact O-CB 3.48Å; Y292-R295 PolarHBondContact O-N 3.13Å; Y292-R295 VanDerWaalsContact O-N 3.13Å; V293-R295 VanDerWaalsContact C-N 3.31Å; V293-R295 PolarHBondContact O-N 3.29Å; R295-A299 WeakPolarHBondContact O-CB 3.49Å; R295-A299 PolarHBondContact O-N 3.2Å
296M93.3Very high90.9Very high6 Ų640.9 Ų40.93%0.0319%0.189CC..Hα-helixtrans-73.3-40.7-179.3-57.6-67.467.600112.1W77 Y292 V293 A299 R300W77-M296 HydrophobicContact CB-SD 3.77Å; W77-M296 HydrophobicContact CG-SD 4.06Å; Y292-M296 HydrophobicContact CD1-CG 4Å; Y292-M296 HydrophobicContact CE1-CG 3.61Å; Y292-M296 HydrophobicContact CE1-SD 4.42Å; Y292-M296 HydrophobicContact CE2-CG 4.24Å; Y292-M296 HydrophobicContact CE2-SD 4.15Å; Y292-M296 HydrophobicContact CG-CG 4.46Å; Y292-M296 WeakPolarHBondContact O-CG 3.41Å; Y292-M296 PolarHBondContact O-N 3.08Å; V293-M296 PolarHBondContact O-N 2.92Å; V293-M296 VanDerWaalsContact O-N 3.12Å; M296-A299 HydrophobicContact CE-CB 4.35Å; M296-A299 WeakPolarHBondContact O-CB 3.48Å; M296-A299 PolarHBondContact O-N 2.68Å; M296-R300 PolarHBondContact O-N 3.13Å
297C93Very high90.3Very high1 Ų139.9 Ų39.91%0.00718%0.183CC..Hα-helixtrans-62.5-42.3172.8-66.80000112I241 M262 F269 V293 A299 R300 L301I241-C297 HydrophobicContact CD1-CB 3.89Å; M262-C297 HydrophobicContact CE-CB 4.11Å; M262-C297 HydrophobicContact SD-CB 3.69Å; F269-C297 HydrophobicContact CZ-CB 4.21Å; V293-C297 PolarHBondContact O-N 2.91Å; V293-C297 PolarHBondContact O-SG 2.82Å; V293-C297 VanDerWaalsContact O-SG 3.41Å; C297-A299 VanDerWaalsContact C-N 3.33Å; C297-A299 PolarHBondContact O-N 3.11Å; C297-R300 PolarHBondContact O-N 2.58Å; C297-L301 WeakPolarHBondContact O-CB 3.48Å; C297-L301 PolarHBondContact O-N 3.24Å
298L92.1Very high89.5Confident70 Ų7038.4 Ų38.437%0.36617%0.174SC..Hα-helixtrans-62.1-38.3172.9-77.1166.4000112.5M262 C294 K302M262-L298 HydrophobicContact CB-CD2 4.31Å; M262-L298 HydrophobicContact CB-CG 4.43Å; M262-L298 HydrophobicContact CE-CB 4.48Å; M262-L298 HydrophobicContact CE-CD2 3.79Å; M262-L298 HydrophobicContact CE-CG 4Å; C294-L298 WeakPolarHBondContact O-CB 3.45Å; C294-L298 WeakPolarHBondContact O-CD1 3.15Å; C294-L298 VanDerWaalsContact O-CG 3.27Å; C294-L298 WeakPolarHBondContact O-CG 3.5Å; C294-L298 PolarHBondContact O-N 3.28Å; L298-K302 WeakPolarHBondContact O-CB 3.22Å; L298-K302 PolarHBondContact O-N 3.44Å
299A90.9Very high88.1Confident7 Ų737.2 Ų37.26%0.05818%0.175CC..Hα-helixtrans-65.1-46.3176.100000111.8F103 R295 M296 C297 K302 F303 F331F103-A299 HydrophobicContact CE1-CB 4.19Å; F103-A299 HydrophobicContact CZ-CB 4.02Å; R295-A299 WeakPolarHBondContact O-CB 3.49Å; R295-A299 PolarHBondContact O-N 3.2Å; M296-A299 HydrophobicContact CE-CB 4.35Å; M296-A299 WeakPolarHBondContact O-CB 3.48Å; M296-A299 PolarHBondContact O-N 2.68Å; C297-A299 VanDerWaalsContact C-N 3.33Å; C297-A299 PolarHBondContact O-N 3.11Å; A299-K302 WeakPolarHBondContact O-CB 3.27Å; A299-K302 PolarHBondContact O-N 2.87Å; A299-F303 PolarHBondContact O-N 3.3Å; A299-F331 HydrophobicContact CB-CE1 4.15Å
300R91.1Very high86.5Confident19 Ų1942 Ų427%0.07220%0.201CC..Hα-helixtrans-63.3-42.2175.5-74.7-171.5173.292.516.5112.4L102 F103 E220 S236 W256 M296 C297 K302 F303 Y304L102-R300 PolarHBondContact O-NH2 2.89Å; F103-R300 HydrophobicContact CD1-CG 4.27Å; F103-R300 HydrophobicContact CE1-CG 4.15Å; E220-R300 IonicContact OE2-CZ 3.72Å; E220-R300 VanDerWaalsContact OE2-CZ 3.25Å; E220-R300 IonicContact OE2-NH1 2.7Å; E220-R300 PolarHBondContact OE2-NH1 3.31Å; E220-R300 IonicContact OE2-NH2 2.67Å; E220-R300 PolarHBondContact OE2-NH2 2.93Å; S236-R300 WeakPolarHBondContact OG-CD 3.22Å; S236-R300 PolarHBondContact OG-NH1 3.01Å; W256-R300 HydrophobicContact CH2-CB 3.96Å; W256-R300 HydrophobicContact CZ2-CB 3.71Å; M296-R300 PolarHBondContact O-N 3.13Å; C297-R300 PolarHBondContact O-N 2.58Å; R300-K302 VanDerWaalsContact C-N 3.3Å; R300-K302 PolarHBondContact O-N 3.33Å; R300-F303 PolarHBondContact O-N 3.49Å; R300-Y304 WeakPolarHBondContact O-CB 3.24Å; R300-Y304 PolarHBondContact O-N 3.36Å
301L90.1Very high84.6Confident11 Ų1146.9 Ų46.96%0.05823%0.226CC..Hα-helixtrans-61.9-36.4174.4-179.157.5000112.5W256 M262 C297 Y304 K305W256-L301 HydrophobicContact CB-CD1 3.82Å; W256-L301 HydrophobicContact CD2-CB 4.48Å; W256-L301 HydrophobicContact CD2-CD1 4.04Å; W256-L301 HydrophobicContact CE3-CB 3.87Å; W256-L301 HydrophobicContact CE3-CD1 3.75Å; W256-L301 HydrophobicContact CE3-CG 4.27Å; W256-L301 HydrophobicContact CG-CD1 4.12Å; W256-L301 HydrophobicContact CZ3-CB 3.94Å; M262-L301 HydrophobicContact CE-CB 3.93Å; M262-L301 HydrophobicContact CE-CD2 3.59Å; M262-L301 HydrophobicContact CE-CG 4.42Å; C297-L301 WeakPolarHBondContact O-CB 3.48Å; C297-L301 PolarHBondContact O-N 3.24Å; L301-Y304 HydrophobicContact CD1-CD1 4.4Å; L301-K305 HydrophobicContact CD1-CD 4.23Å; L301-K305 HydrophobicContact CD1-CG 4.34Å; L301-K305 HydrophobicContact CG-CD 4.29Å; L301-K305 WeakPolarHBondContact O-CB 3.32Å; L301-K305 VanDerWaalsContact O-CG 3.31Å; L301-K305 WeakPolarHBondContact O-CG 3.31Å; L301-K305 PolarHBondContact O-N 3.23Å
302K89.1Confident82.6Confident72 Ų7247.8 Ų47.831%0.31323%0.232SC..Hα-helixtrans-66-45.8174.5-171.8-175177-167.10111.3L298 A299 R300 K305 I306 L329 S330L298-K302 WeakPolarHBondContact O-CB 3.22Å; L298-K302 PolarHBondContact O-N 3.44Å; A299-K302 WeakPolarHBondContact O-CB 3.27Å; A299-K302 PolarHBondContact O-N 2.87Å; R300-K302 VanDerWaalsContact C-N 3.3Å; R300-K302 PolarHBondContact O-N 3.33Å; K302-K305 PolarHBondContact O-N 2.82Å; K302-I306 HydrophobicContact CG-CD1 4.19Å; K302-I306 WeakPolarHBondContact O-CG1 3.38Å; K302-I306 PolarHBondContact O-N 2.91Å; K302-I306 VanDerWaalsContact O-N 3.17Å; K302-L329 HydrophobicContact CD-CD2 4.15Å; K302-S330 PolarHBondContact NZ-O 3.15Å
303F89.4Confident80Confident21 Ų2155 Ų559%0.09227%0.267CS..Hα-helixtrans-61.8-48.4176.8179.6-100.6000112Y63 F103 Y104 I105 A299 R300 K305 I306 N307Y63-F303 AromaticContact CD1-CE2 3.78Å; Y63-F303 HydrophobicContact CD1-CE2 3.78Å; Y63-F303 AromaticContact CD1-CZ 3.72Å; Y63-F303 HydrophobicContact CD1-CZ 3.72Å; Y63-F303 AromaticContact CE1-CE2 3.84Å; Y63-F303 HydrophobicContact CE1-CE2 3.84Å; Y63-F303 AromaticContact CE1-CZ 3.74Å; Y63-F303 HydrophobicContact CE1-CZ 3.74Å; F103-F303 HydrophobicContact CB-CD1 3.91Å; F103-F303 HydrophobicContact CB-CD2 3.82Å; F103-F303 HydrophobicContact CB-CE1 3.67Å; F103-F303 HydrophobicContact CB-CE2 3.58Å; F103-F303 HydrophobicContact CB-CG 3.97Å; F103-F303 HydrophobicContact CB-CZ 3.48Å; F103-F303 VanDerWaalsContact CB-CZ 3.48Å; F103-F303 HydrophobicContact CD1-CB 3.77Å; F103-F303 AromaticContact CD1-CD1 3.99Å; F103-F303 HydrophobicContact CD1-CD1 3.99Å; F103-F303 HydrophobicContact CD1-CD2 4.12Å; F103-F303 AromaticContact CD1-CG 3.71Å; F103-F303 HydrophobicContact CD1-CG 3.71Å; F103-F303 HydrophobicContact CD2-CD2 4.09Å; F103-F303 HydrophobicContact CD2-CE2 4.41Å; F103-F303 HydrophobicContact CD2-CG 4.5Å; F103-F303 HydrophobicContact CE1-CB 3.87Å; F103-F303 HydrophobicContact CE1-CG 4.3Å; F103-F303 HydrophobicContact CG-CB 4.29Å; F103-F303 HydrophobicContact CG-CD1 4.17Å; F103-F303 AromaticContact CG-CD2 3.76Å; F103-F303 HydrophobicContact CG-CD2 3.76Å; F103-F303 HydrophobicContact CG-CE1 4.41Å; F103-F303 HydrophobicContact CG-CE2 4.03Å; F103-F303 AromaticContact CG-CG 3.82Å; F103-F303 HydrophobicContact CG-CG 3.82Å; F103-F303 HydrophobicContact CG-CZ 4.34Å; F103-F303 HydrophobicContact CZ-CB 4.44Å; Y104-F303 WeakPolarHBondContact O-CE1 3.39Å; I105-F303 HydrophobicContact CG2-CE1 4.25Å; I105-F303 HydrophobicContact CG2-CZ 3.8Å; A299-F303 PolarHBondContact O-N 3.3Å; R300-F303 PolarHBondContact O-N 3.49Å; F303-K305 VanDerWaalsContact C-N 3.33Å; F303-K305 PolarHBondContact O-N 3.16Å; F303-I306 PolarHBondContact O-N 3.3Å; F303-N307 WeakPolarHBondContact CE1-ND2 3.32Å; F303-N307 WeakPolarHBondContact CZ-ND2 3.45Å; F303-N307 PolarHBondContact O-N 2.95Å
304Y86.8Confident76.8Confident58 Ų5859.7 Ų59.723%0.22730%0.299CS..Hα-helixtrans-55.2-45.5174.7170.5-93000112.2W256 R300 L301 I306 N307 K308W256-Y304 HydrophobicContact CB-CD1 3.58Å; W256-Y304 HydrophobicContact CB-CD2 4.48Å; W256-Y304 HydrophobicContact CB-CE1 3.53Å; W256-Y304 HydrophobicContact CB-CE2 4.43Å; W256-Y304 HydrophobicContact CB-CG 4.08Å; W256-Y304 AromaticContact CD1-CD1 3.9Å; W256-Y304 AromaticContact CD1-CD2 3.45Å; W256-Y304 VanDerWaalsContact CD1-CD2 3.45Å; W256-Y304 AromaticContact CD1-CE2 3.87Å; W256-Y304 AromaticContact CD1-CG 3.47Å; W256-Y304 VanDerWaalsContact CD1-CG 3.47Å; W256-Y304 AromaticContact CG-CD1 3.92Å; W256-Y304 HydrophobicContact CG-CD1 3.92Å; W256-Y304 HydrophobicContact CG-CD2 4.26Å; W256-Y304 HydrophobicContact CG-CE1 4.26Å; W256-Y304 AromaticContact CG-CG 3.92Å; W256-Y304 HydrophobicContact CG-CG 3.92Å; R300-Y304 WeakPolarHBondContact O-CB 3.24Å; R300-Y304 PolarHBondContact O-N 3.36Å; L301-Y304 HydrophobicContact CD1-CD1 4.4Å; Y304-I306 VanDerWaalsContact C-N 3.35Å; Y304-I306 PolarHBondContact O-N 3.22Å; Y304-N307 PolarHBondContact O-N 3.43Å; Y304-K308 HydrophobicContact CE1-CD 4.2Å; Y304-K308 WeakPolarHBondContact O-CB 3.26Å; Y304-K308 PolarHBondContact O-N 2.94Å
305K87Confident73.9Confident115 Ų11565 Ų6550%0.533%0.334SS..Hα-helixtrans-61.9-40.2178.6-78.6174.4176.5174.50112.5L301 K302 F303 S309L301-K305 HydrophobicContact CD1-CD 4.23Å; L301-K305 HydrophobicContact CD1-CG 4.34Å; L301-K305 HydrophobicContact CG-CD 4.29Å; L301-K305 WeakPolarHBondContact O-CB 3.32Å; L301-K305 VanDerWaalsContact O-CG 3.31Å; L301-K305 WeakPolarHBondContact O-CG 3.31Å; L301-K305 PolarHBondContact O-N 3.23Å; K302-K305 PolarHBondContact O-N 2.82Å; F303-K305 VanDerWaalsContact C-N 3.33Å; F303-K305 PolarHBondContact O-N 3.16Å; K305-S309 PolarHBondContact O-N 3.39Å; K305-S309 PolarHBondContact O-OG 2.66Å; K305-S309 VanDerWaalsContact O-OG 3.13Å
306I83.9Confident71.3Confident38 Ų3868.9 Ų68.920%0.19537%0.365CS..Hα-helixtrans-67.5-46178-68.5165.3000111.1K302 F303 Y304 K308 S309 N310 L327 L329K302-I306 HydrophobicContact CG-CD1 4.19Å; K302-I306 WeakPolarHBondContact O-CG1 3.38Å; K302-I306 PolarHBondContact O-N 2.91Å; K302-I306 VanDerWaalsContact O-N 3.17Å; F303-I306 PolarHBondContact O-N 3.3Å; Y304-I306 VanDerWaalsContact C-N 3.35Å; Y304-I306 PolarHBondContact O-N 3.22Å; I306-K308 PolarHBondContact O-N 3.45Å; I306-S309 PolarHBondContact O-N 3.41Å; I306-S309 PolarHBondContact O-OG 3.09Å; I306-N310 PolarHBondContact O-N 3.33Å; I306-N310 PolarHBondContact O-OD1 2.8Å; I306-L327 HydrophobicContact CG2-CD1 4.26Å; I306-L329 HydrophobicContact CD1-CD2 3.55Å
307N78.5Confident68.3Low28 Ų2876.3 Ų76.315%0.1540%0.404CS..Hα-helixtrans-69-34.8179.6-67.7-3.1000111.9F303 Y304 N310 L311F303-N307 WeakPolarHBondContact CE1-ND2 3.32Å; F303-N307 WeakPolarHBondContact CZ-ND2 3.45Å; F303-N307 PolarHBondContact O-N 2.95Å; Y304-N307 PolarHBondContact O-N 3.43Å; N307-N310 PolarHBondContact O-N 3.38Å; N307-L311 WeakPolarHBondContact O-CG 3.34Å; N307-L311 PolarHBondContact O-N 2.86Å
308K74.3Confident65.7Low81 Ų8181.2 Ų81.235%0.35244%0.436SS..Hα-helixtrans-63.5-41.9174.7-173.9168-171.7-74.50112.3Y304 I306 N310 L311 E312Y304-K308 HydrophobicContact CE1-CD 4.2Å; Y304-K308 WeakPolarHBondContact O-CB 3.26Å; Y304-K308 PolarHBondContact O-N 2.94Å; I306-K308 PolarHBondContact O-N 3.45Å; K308-N310 VanDerWaalsContact C-N 3.25Å; K308-N310 PolarHBondContact O-N 3.16Å; K308-L311 PolarHBondContact O-N 2.98Å; K308-L311 VanDerWaalsContact O-N 3.1Å; K308-E312 WeakPolarHBondContact CE-OE1 3.25Å; K308-E312 IonicContact NZ-OE1 2.78Å; K308-E312 PolarHBondContact NZ-OE1 3.26Å; K308-E312 IonicContact NZ-OE2 3.2Å; K308-E312 PolarHBondContact NZ-OE2 2.86Å; K308-E312 PolarHBondContact O-N 3.34Å
309S61.3Low62.7Low64 Ų6482.8 Ų82.845%0.44845%0.452SS..Hα-helixtrans-61-34.3174.338.60000112.9K305 I306 L311K305-S309 PolarHBondContact O-N 3.39Å; K305-S309 PolarHBondContact O-OG 2.66Å; K305-S309 VanDerWaalsContact O-OG 3.13Å; I306-S309 PolarHBondContact O-N 3.41Å; I306-S309 PolarHBondContact O-OG 3.09Å; S309-L311 VanDerWaalsContact C-N 3.29Å; S309-L311 PolarHBondContact O-N 2.94Å
310N57Low59.8Low108 Ų10891.3 Ų91.358%0.57849%0.491SS*.Hα-helixtrans-73.8-18.5176.8-61.5-13.9000113.4I306 N307 K308I306-N310 PolarHBondContact O-N 3.33Å; I306-N310 PolarHBondContact O-OD1 2.8Å; N307-N310 PolarHBondContact O-N 3.38Å; K308-N310 VanDerWaalsContact C-N 3.25Å; K308-N310 PolarHBondContact O-N 3.16Å
311L53.8Low56.8Low101 Ų10195.8 Ų95.853%0.52953%0.525SS..Hα-helixtrans-92.3-27.6-179.4-73.7164.9000113.1N307 K308 S309N307-L311 WeakPolarHBondContact O-CG 3.34Å; N307-L311 PolarHBondContact O-N 2.86Å; K308-L311 PolarHBondContact O-N 2.98Å; K308-L311 VanDerWaalsContact O-N 3.1Å; S309-L311 VanDerWaalsContact C-N 3.29Å; S309-L311 PolarHBondContact O-N 2.94Å
312E50.3Low53.9Low136 Ų136100.4 Ų100.464%0.63656%0.558SS**Hα-helixtrans-86.2-10.7-179.4-71.6179.7145.700114K308K308-E312 WeakPolarHBondContact CE-OE1 3.25Å; K308-E312 IonicContact NZ-OE1 2.78Å; K308-E312 PolarHBondContact NZ-OE1 3.26Å; K308-E312 IonicContact NZ-OE2 3.2Å; K308-E312 PolarHBondContact NZ-OE2 2.86Å; K308-E312 PolarHBondContact O-N 3.34Å
313E38.6Very low51.1Low172 Ų172105.8 Ų105.880%0.80459%0.585SS**SBendtrans-96.867.9171.8-69.5-161.8150.400112.9
314S26.5Very low48.4Very low97 Ų97114.6 Ų114.668%0.67862%0.623SS**  trans-150.9107.5167.358.20000116.7
315P31.6Very low45.6Very low117 Ų117115.7 Ų115.776%0.7664%0.639SS**  trans-95.8158.6142.535.1-29.5000110.5L317P315-L317 PolarHBondContact O-N 2.81Å
316P39.1Very low43Very low124 Ų124118 Ų11881%0.80566%0.656SS**  trans-84.5117.5-160.630.4-35.7000116.6
317L30.9Very low40.5Very low162 Ų162120.3 Ų120.385%0.84867%0.668SS**  trans67.3163.9147-66.2173000118.5P315P315-L317 PolarHBondContact O-N 2.81Å
318P38Very low38.2Very low105 Ų105123.7 Ų123.768%0.68269%0.69SS**  cis-129.4176.44.941.9-26.7000117.3
319S27.8Very low36.2Very low102 Ų102122.1 Ų122.171%0.71369%0.685SS**  trans70.112615356.70000121.7
320E31Very low34.7Very low186 Ų186122.5 Ų122.587%0.86969%0.688SS**  trans10.1119.9153.8-53.6-173.9129.100118.3
321S27.1Very low33.7Very low114 Ų114120.5 Ų120.580%0.79767%0.674SS**  173.816367.245.50000111.9
322S31Very low32.4Very low107 Ų107121.3 Ų121.375%0.74869%0.685SS**  trans5684.9163.5178.40000118.2
323Q30.1Very low31.3Very low186 Ų186126.1 Ų126.187%0.86970%0.698SS**  trans-108.5113.8147.4-73.1-162.52.600111.2
324K31.8Very low30.7Very low205 Ų205125.6 Ų125.689%0.89169%0.693SS**  trans-89.993.8162.7-73.6-174.7177.4-178.10108.6
325S27.9Very low30.8Very low81 Ų81126.8 Ų126.857%0.56670%0.699SS**  trans-100.6103.6177.8-1630000111.1L327S325-L327 PolarHBondContact O-N 2.85Å
326L33.7Very low30.6Very low165 Ų165129.2 Ų129.286%0.86470%0.703SS**  trans-90.682.8171.7-79.8170.8000109.9T328L326-T328 VanDerWaalsContact C-N 3.33Å; L326-T328 PolarHBondContact O-N 2.87Å; L326-T328 VanDerWaalsContact O-N 3.11Å
327L29.6Very low29.9Very low85 Ų85131.2 Ų131.245%0.44571%0.706SS.*  trans-83.571175.8-71.8176.5000112.1T62 I306 S325 L329T62-L327 HydrophobicContact CG2-CB 4.42Å; I306-L327 HydrophobicContact CG2-CD1 4.26Å; S325-L327 PolarHBondContact O-N 2.85Å; L327-L329 PolarHBondContact O-N 2.88Å; L327-L329 VanDerWaalsContact O-N 3.13Å
328T30.4Very low29.7Very low100 Ų100129.4 Ų129.461%0.61371%0.708SS**  trans-68.6107168.9-51.20000110.1L326 S330L326-T328 VanDerWaalsContact C-N 3.33Å; L326-T328 PolarHBondContact O-N 2.87Å; L326-T328 VanDerWaalsContact O-N 3.11Å; T328-S330 VanDerWaalsContact C-N 3.26Å; T328-S330 PolarHBondContact O-N 3.04Å
329L33.2Very low29.2Very low47 Ų47135.5 Ų135.525%0.24672%0.717CS.*  trans-77.964.4-179.2-71.8176.5000113.1F103 K302 I306 L327F103-L329 HydrophobicContact CE2-CD1 4.45Å; K302-L329 HydrophobicContact CD-CD2 4.15Å; I306-L329 HydrophobicContact CD1-CD2 3.55Å; L327-L329 PolarHBondContact O-N 2.88Å; L327-L329 VanDerWaalsContact O-N 3.13Å
330S29.2Very low29Very low72 Ų72136.1 Ų136.150%0.50372%0.716SS.*PPolyproline II helixtrans-66.2145.9171.554.10000113E81 K302 T328E81-S330 WeakPolarHBondContact OE1-CA 3.21Å; K302-S330 PolarHBondContact NZ-O 3.15Å; T328-S330 VanDerWaalsContact C-N 3.26Å; T328-S330 PolarHBondContact O-N 3.04Å
331F35.5Very low28.6Very low66 Ų66137.4 Ų137.429%0.28972%0.72SS.*PPolyproline II helixtrans-98.9144.3-179.6-63.4-106.8000110E81 A299E81-F331 HydrophobicContact CG-CD2 3.83Å; E81-F331 PolarHBondContact OE1-N 2.93Å; A299-F331 HydrophobicContact CB-CE1 4.15Å
332P27.9Very low28.6Very low118 Ų118139.8 Ų139.877%0.76672%0.723SS**PPolyproline II helixtrans-74.3141.6-179.429.4-34.1000112.2
333R26.5Very low28.5Very low237 Ų237140.2 Ų140.289%0.89472%0.723SS**PPolyproline II helixtrans-71.2137.3166.5-67.5-179.6178.4174.6-0.1110.1P335R333-P335 WeakPolarHBondContact O-CD 3.46Å
334F25.9Very low28.3Very low161 Ų161137.4 Ų137.471%0.70672%0.724SS**PPolyproline II helixtrans-63.8124.7170.5-71.6-85.8000111.4
335P29.4Very low28.2Very low122 Ų122134.4 Ų134.479%0.79272%0.717SS**PPolyproline II helixtrans-76.4149.3167.8-1330.2000111.5R333R333-P335 WeakPolarHBondContact O-CD 3.46Å
336I26.4Very low28.2Very low168 Ų168140.2 Ų140.286%0.86273%0.732SS**PPolyproline II helixtrans-89.3146.3168.2-65.8174.2000108.8
337L25.7Very low27.9Very low166 Ų166135.6 Ų135.687%0.86973%0.725SS**PPolyproline II helixtrans-50.4133.4-172.6-68164.9000114.8
338S25.7Very low27.9Very low125 Ų125141 Ų14187%0.87475%0.748SS**  trans-155.5131.8152.1-83.10000112.1
339R26.9Very low27.8Very low233 Ų233142.7 Ų142.788%0.87976%0.758SS**  trans-44.9130-167.5-90.3178.7169.6-171.4-4.8119.5
340T23.3Very low27.9Very low114 Ų114145.9 Ų145.970%0.69978%0.782SS**  30.9124.5126.460.30000121
341F23.5Very low28.5Very low214 Ų214147.9 Ų147.994%0.93979%0.793SS**  -137.5146.3129.5-94.2-82.6000109.2
342L27Very low28Very low164 Ų164151.3 Ų151.386%0.85982%0.819SS**  trans-101.7160.1178.9-86.9169.6000111.1
343P29.4Very low28Very low115 Ų115150 Ų15075%0.74782%0.818SS**  trans-82.9167.4-16634.3-37.4000114.1
344S25.9Very low28.1Very low127 Ų127146 Ų14689%0.88882%0.82SS**  trans-124116.1159.9-177.30000107.4
345D28.4Very low28.1Very low142 Ų142144.9 Ų144.976%0.75982%0.822SS**  trans-116.7123.9-173-1704.8000110.8
346K28.8Very low27.9Very low203 Ų203146 Ų14688%0.88382%0.82SS**  trans-15589.5172.9-73.6-160176.7-174.30109.5
347G27.3Very low27.9Very low68 Ų68143.4 Ų143.470%0.70181%0.811SS**  trans-75.6163.8175.800000114.5
348Q29Very low27.9Very low199 Ų199145 Ų14593%0.9381%0.806SS**  trans-153166.5156.1-115.2172.924.400110.7
349T28.6Very low28Very low135 Ų135148.8 Ų148.883%0.82880%0.801SS**  trans-91.3168-159.227.50000115.1
350P35Very low27.9Very low115 Ų115148.6 Ų148.675%0.74780%0.8SS**  trans-97.8-162.1-168.644.5-40.1000111.2
351P43Very low28Very low113 Ų113148.2 Ų148.273%0.73480%0.802SS**  cis-127.2-173.9-12.941.4-26.7000113
352T25.4Very low28.1Very low138 Ų138142.8 Ų142.885%0.84779%0.791SS**  trans163.6148.2132.6-70.20000110.7
353A27Very low28.2Very low90 Ų90141 Ų14174%0.74479%0.787SS**  trans-101.7145.8-174.700000114.3
354V29.1Very low28.1Very low155 Ų155146.8 Ų146.894%0.93979%0.794SS**  trans-140.6158.3153.2-166.30000108.3
355N25.6Very low28Very low137 Ų137148.9 Ų148.973%0.73379%0.794SS**  trans-117.7158.5-159.8-142.1-22.3000113.5
356L25.8Very low27.9Very low146 Ų146147 Ų14776%0.76479%0.792SS**  trans58.9125.9154.9-73.1157000120.8
357V25.7Very low27.9Very low112 Ų112145 Ų14568%0.67979%0.79SS**  156.9138.591.1112.40000116.4
358R26.5Very low28.6Very low199 Ų199147.6 Ų147.675%0.75179%0.794SS**  trans69.3133.9155.5-79.4174.9179.9151.22.6124.1
359R27.3Very low28.6Very low206 Ų206147.5 Ų147.578%0.77779%0.791SS**  50.5144.8129.8-64.6177.6173.3179.4-3.3118.7
360R25Very low28.3Very low228 Ų228146.8 Ų146.886%0.8679%0.791SS**  cis-162.5178.731.4-144172.9-171.9175-0.5110.9
361S24.5Very low28Very low106 Ų106150.1 Ų150.174%0.74180%0.797SS**  trans-87.3161.6-176.1-34.90000115.6
362S26.6Very low27.4Very low101 Ų101148.8 Ų148.871%0.70680%0.795SS**  trans98.5107.3144-57.60000122.7
363T27.9Very low27.7Very low126 Ų126152.8 Ų152.877%0.77380%0.796SS**  77.9144.8124.561.10000125.3
364R26.8Very low27.8Very low236 Ų236155.7 Ų155.789%0.89180%0.798SS**  trans81.8124.4147.7-83.2-174.2-177.2-161.83.2121.5
365I24.9Very low27.5Very low172 Ų172156 Ų15688%0.88279%0.791SS**  -179.9155.6110.4-91.6160.6000110.6
366S25.3Very low28.6Very low102 Ų102154.6 Ų154.671%0.71379%0.79SS**  trans-163.4165.8177.358.20000113.7
367L30.3Very low28.7Very low161 Ų161156 Ų15684%0.84379%0.793SS**  trans121.4163.8170.7-92.165.4000114.9
368P40.4Very low28.8Very low123 Ų123157.7 Ų157.780%0.79980%0.795SS**  cis-128.8-153.5-527.9-2.6000116.2
369K29.5Very low29Very low196 Ų196155.2 Ų155.285%0.85279%0.792SS**  trans-138.4175.9-164.6-48.9174177.9178.10116.7
370S23.2Very low29Very low120 Ų120154 Ų15484%0.83979%0.788SS**  trans-161.3171.1155.656.80000115.7
371Q28.7Very low29.3Very low186 Ų186149.8 Ų149.887%0.86978%0.783SS**  trans-148.5-179.7-169.3-73.5170.9-121.300112.9
372A30.3Very low29.6Very low84 Ų84148.2 Ų148.269%0.69478%0.783SS**  cis-141.6-137.518.400000113.9
373Y30.7Very low29.7Very low223 Ų223152 Ų15288%0.87579%0.789SS**  cis-160.6-161.49.1-130.2-37.5000114.1
374L30.3Very low29.7Very low150 Ų150154.8 Ų154.879%0.78579%0.791SS**  trans-153.8175.7-165.3-62.5173.7000118.7
375M22.1Very low29.8Very low161 Ų161149.2 Ų149.279%0.79378%0.784SS**  trans119.4166.7156.3-64.4-689900120.2
376P49.2Very low29.8Very low108 Ų108150 Ų15070%0.70178%0.783SS**  -148160.4-58.745.1-26.9000122.5
377Q27.3Very low30.8Very low177 Ų177149.7 Ų149.783%0.82778%0.779SS**  trans71.5156.7138.7-92.7-169.3-6.900132
378M27.7Very low30.7Very low147 Ų147152.4 Ų152.472%0.72478%0.78SS**  trans111.8159.6160.4-61.4-53.6-9200120.3
379H30.8Very low30.1Very low147 Ų147152.3 Ų152.368%0.68178%0.777SS**  cis-167.6170.5-45.4-125.244000116.7
380Y28.6Very low30Very low180 Ų180147.8 Ų147.871%0.70677%0.77SS**  trans81-177159.7-100.2-110.1000128.1
381N31.1Very low30.4Very low139 Ų139146.6 Ų146.674%0.74376%0.762SS**  trans-117.3164.2-138.3-81.2-6.9000121.3
382G30.3Very low30.4Very low73 Ų73145.6 Ų145.675%0.75376%0.757SS**  trans141.8104.6136.100000125.4
383H29.1Very low30.2Very low180 Ų180146.8 Ų146.883%0.83375%0.752SS**  trans48.8146.4136.6-79.8-78.2000130.9
384F28.1Very low30Very low185 Ų185142.5 Ų142.581%0.81174%0.744SS**  trans83173.6147.2-94.2-77.1000124.7
385T27.5Very low29.9Very low119 Ų119142.3 Ų142.373%0.7374%0.743SS**  trans-149.7147.9-149.3520000118.5
386E26.2Very low30.1Very low188 Ų188143.6 Ų143.688%0.87974%0.74SS**  trans65.4168.6157.6-104.8-176-148.600120.3
387P45.7Very low29Very low96 Ų96145.4 Ų145.462%0.62374%0.742SS**  cis-142.5-172.6-1540.5-20.4000118.2
388Y27.1Very low28.9Very low218 Ų218144.4 Ų144.486%0.85574%0.742SS**  trans82.5149.8145.5-97.6-75.5000126.1
389T28.7Very low29.8Very low122 Ų122141.6 Ų141.675%0.74873%0.734SS**  trans81.9149.6170.365.30000118.9
390S28.4Very low29.7Very low101 Ų101142.7 Ų142.771%0.70674%0.74SS**  cis94.9145.8187.70000119.8
391S31.3Very low29.7Very low95 Ų95141.7 Ų141.766%0.66475%0.747SS**  cis-173.5-179.5-4.134.30000113.1
392Q27.4Very low29.7Very low164 Ų164137.5 Ų137.577%0.76674%0.736SS**  trans75.3158.5166.7-69.9174-90.500118.8
393D26.1Very low29.7Very low110 Ų110142.8 Ų142.859%0.58874%0.739SS**  cis-152.1149-11.4-102.4-27000108.3
394N27.1Very low29.7Very low132 Ų132142.4 Ų142.471%0.70673%0.731SS**  70.5144.559.3-62.4-51000115
395L28.3Very low29.7Very low147 Ų147141.4 Ų141.477%0.7772%0.723SS**  cis-113.2-112.53-63.476.7000112.5
396Y27.2Very low29.6Very low187 Ų187142.9 Ų142.973%0.73372%0.721SS**  cis-164.9170.2-1.7-1477.3000114.3
397M26.3Very low29.7Very low147 Ų147138.3 Ų138.372%0.72471%0.71SS**  trans62.3134.7169.2-66.9-57.7170.600123.8
398N24.3Very low29.6Very low156 Ų156142.8 Ų142.883%0.83472%0.723SS**  trans-143.7-112.4173.3-159.1-33.7000108.5
399P45.6Very low29.7Very low87 Ų87138.9 Ų138.957%0.56572%0.722SS**  cis-133.1-169.1-20.145.2-27.4000114.6
400Q29.5Very low29.7Very low171 Ų171138.4 Ų138.480%0.79972%0.724SS**  trans71.4138.6155.5-73.6168.612.400119.5
401N29.6Very low29.7Very low159 Ų159141.3 Ų141.385%0.8573%0.73SS**  cis-158.3162.8-8.2-136.9-2.1000111.9
402G29.2Very low29.6Very low50 Ų50143.6 Ų143.652%0.51574%0.735SS.*  trans151.369.916200000119.6
403F30.6Very low29.5Very low184 Ų184142.1 Ų142.181%0.80774%0.741SS**  trans64.4142.5156.5-50.6-76.3000118.6
404Y29.7Very low30Very low172 Ų172141.9 Ų141.968%0.67575%0.748SS**  cis178.5163.9-22.4-111.8-161.4000106.3
405Y27.6Very low30.7Very low164 Ų164140.9 Ų140.964%0.64375%0.749SS**  cis-173.9148.4-28.3-119.5-158.7000106.5
406H26.4Very low30.9Very low150 Ų150140.7 Ų140.769%0.69475%0.748SS**  cis-155.3179.7-13.8-144.3-3.2000108.9
407S28.9Very low31Very low92 Ų92138.6 Ų138.664%0.64375%0.745SS**  trans-115.4139.7-169.953.80000114.8
408Q41.8Very low31.3Very low191 Ų191140.6 Ų140.689%0.89375%0.746SS**  trans49.8130.7148.3-63.9-1746.500122.2
409T30Very low31.6Very low136 Ų136137.6 Ų137.683%0.83474%0.737SS**  trans-129.2174.3154.366.60000107.3
410S28.4Very low30.9Very low112 Ų112139.1 Ų139.178%0.78375%0.749SS**  cis-144.7173.118.1-58.10000112.6
411L29.2Very low30.9Very low161 Ų161134.9 Ų134.984%0.84375%0.752SS**  trans-80.1168.2174.7-69.7160.4000115.3
412D28.3Very low30.9Very low144 Ų144130.9 Ų130.977%0.7775%0.748SS**  trans-30.8176.7159.6-72.8-66.8000122.6
413C26.7Very low31.1Very low133 Ų133139.4 Ų139.490%0.89977%0.765SS**  trans93.5152.9153.2-73.10000120.3
414S35.8Very low31.3Very low105 Ų105137.1 Ų137.173%0.73476%0.761SS**  trans-115.6172.2-175.359.90000111.4
415P42.5Very low31.3Very low111 Ų111138.6 Ų138.672%0.72177%0.765SS**  -154.7174.398.840.9-22.1000117.5
416L30.6Very low31.4Very low142 Ų142137.7 Ų137.774%0.74377%0.771SS**  trans9.3156.5141.6-74.264.8000120.9
417E30.5Very low31.5Very low144 Ų144133.7 Ų133.767%0.67377%0.77SS**  cis-162.4164.811.8-130.3-178.8178.400117.3
418Y31.4Very low31.4Very low189 Ų189134.7 Ų134.774%0.74178%0.777SS**  trans73.2118143.9-98.4-145.2000127.7
419S31.4Very low30.8Very low92 Ų92131 Ų13164%0.64377%0.768SS**  75.3141.9126.7-66.50000120.9
420S32Very low30.6Very low119 Ų119134.7 Ų134.783%0.83277%0.768SS**  cis-160.3150.824.1-139.80000115.4
421G29.5Very low30.5Very low82 Ų82133.6 Ų133.685%0.84576%0.76SS**  trans78.9147.1156.900000118.9
422G29.2Very low30.4Very low76 Ų76129.3 Ų129.378%0.78475%0.748SS**  trans-178.7-62.5174.600000118.7
423R33.7Very low30.3Very low228 Ų228130.5 Ų130.586%0.8675%0.748SS**  trans72.7140.1177.1-118.6-176.1-170.5-134.52.1118.1
424L33.2Very low30.2Very low137 Ų137129 Ų12972%0.71774%0.74SS**  trans74.8137.9155.4-58.5173.7000119.5
425R31.1Very low29.9Very low203 Ų203129.8 Ų129.877%0.76674%0.74SS**  cis-169136.6-18.9-155-167.2-177.3-154.71.8112.1
426N29.3Very low29.2Very low145 Ų145129.2 Ų129.278%0.77574%0.739SS**  trans47162.6154.4-63.213.5000120
427G28.3Very low29.1Very low65 Ų65127.2 Ų127.267%0.6774%0.737SS**  cis-166.4164.1-4.700000106.8
428S27Very low29Very low114 Ų114127.3 Ų127.380%0.79774%0.741SS**  cis44.211749.3-1660000113.7
429V28.5Very low28.9Very low114 Ų114124.9 Ų124.969%0.69174%0.741SS**  165.1114.1123.5153.60000112
430Y27.1Very low28.7Very low212 Ų212127.8 Ų127.883%0.83175%0.749SS**  trans57.3172.6144.9-67.1-125.4000117.3
431S26.3Very low29.3Very low90 Ų90126.2 Ų126.263%0.62974%0.736SS**  cis-146.3138.6-17.2-131.50000111.4
432A25.3Very low29.2Very low71 Ų71130 Ų13059%0.58773%0.732SS**  43.4162.2125.400000124.2
433H26.4Very low29Very low168 Ų168133.6 Ų133.678%0.77873%0.728SS**  trans73.9104.8161.8-52.1-59.9000118.4
434S26.1Very low28.6Very low102 Ų102132 Ų13271%0.71372%0.723SS**  18144.3100.5-37.60000117
435T28.2Very low28.1Very low122 Ų122131.9 Ų131.975%0.74872%0.723SS**  cis-167.2161.239.8-23.20000110.5
436S28Very low27.8Very low99 Ų99130.3 Ų130.369%0.69272%0.724SS**  trans64.9116.2142.2-640000121.7
437S28.5Very low28.1Very low99 Ų99128.9 Ų128.969%0.69272%0.723SS**  98.2117.3115.8-70.20000122.5
438L28.7Very low28.3Very low146 Ų146131.2 Ų131.276%0.76473%0.729SS**  81.2133.3128.9-63.8170.7000121.6
439N28.6Very low29.1Very low139 Ų139131.1 Ų131.174%0.74373%0.726SS**  trans59.4100.9140.8-60.4-0.3000121.1
440N28.5Very low28.9Very low152 Ų152133.7 Ų133.781%0.81373%0.732SS**  3.5142.7112.4-14542.1000115.8
441P44.8Very low29.1Very low86 Ų86128.4 Ų128.456%0.55873%0.726SS**  cis-157.5-170.346.844.7-22.6000119
442Q26.6Very low29.2Very low163 Ų163129.8 Ų129.876%0.76274%0.736SS**  trans74.3131.8145.5-81.4159.5-5.200122.7
443H26Very low29.3Very low151 Ų151133.5 Ų133.570%0.69975%0.746SS**  31.7153.5124.3-69.1-103.4000121.4
444Y23.3Very low30.1Very low193 Ų193130.6 Ų130.676%0.75774%0.742SS**  cis-156165.218.1-128.1-66.3000111.7
445L23Very low30.2Very low135 Ų135130.4 Ų130.471%0.70774%0.74SS**  trans-20.1153.7174.1-72164.8000124.9
446Q24.8Very low30.2Very low170 Ų170131.7 Ų131.779%0.79474%0.741SS**  trans72.6164.5142-87-172.76.400121.5
447P35.9Very low30.2Very low115 Ų115132.7 Ų132.775%0.74774%0.743SS**  cis-129.5-171.5-20.231.4-10.1000114.5
448S32.2Very low30.4Very low115 Ų115133.3 Ų133.380%0.80475%0.747SS**  trans-79.7171.5-177.3-44.80000115.6
449P43.8Very low30.4Very low112 Ų112133.1 Ų133.173%0.72775%0.747SS**  -152.9164.299.140.9-24.1000118.7
450M25.1Very low30.8Very low167 Ų167133.5 Ų133.582%0.82375%0.748SS**  trans49.7114.6141.8-71.4169.862.900121.6
451S30.4Very low31.1Very low102 Ų102133 Ų13371%0.71375%0.75SS**  81.4143.591.383.60000114.8
452S28.3Very low30.4Very low118 Ų118137.4 Ų137.483%0.82576%0.756SS**  -164.9-175.55554.30000114.8
453N27.6Very low31.3Very low149 Ų149134.6 Ų134.680%0.79775%0.752SS**  trans-116.2163-179.1-131.328.7000111
454P44.6Very low31.5Very low108 Ų108132.9 Ų132.970%0.70175%0.748SS**  -138.4-160.98937.4-19.5000111.5
455S26.7Very low31.8Very low97 Ų97131 Ų13168%0.67874%0.744SS**  cis-140.8174.311.8-76.20000109.1
456I28.6Very low32.2Very low150 Ų150130.1 Ų130.177%0.76974%0.744SS**  cis80.7116.331.7-55.3176.8000114.3
457T27.5Very low33.4Very low120 Ų120127.6 Ų127.674%0.73674%0.742SS**  cis-85.7-1317.5-25.30000113
458S32.5Very low33Very low111 Ų111126.9 Ų126.978%0.77674%0.74SS**  cis-149.7139.23.251.20000110.8
459D29.7Very low33.1Very low143 Ų143130.2 Ų130.277%0.76574%0.742SS**  trans-140.3174.6-164.5-49.9-98000109.4
460I37.3Very low32.5Very low146 Ų146135.2 Ų135.275%0.74975%0.747SS**  cis-152.1142.513.6-170.7166.4000111.6
461T34.9Very low32.8Very low142 Ų142134.9 Ų134.987%0.87174%0.743SS**  trans-156.7133.8159.2-370000108.4
462R29.2Very low32.7Very low179 Ų179135.3 Ų135.368%0.67575%0.746SS**  trans-165.3-178.6-176.6-114.6-166.2176.21488.9113.4D464R462-D464 PolarHBondContact NE-O 2.93Å; R462-D464 PolarHBondContact NH2-O 2.7Å
463P46.7Very low32.7Very low104 Ų104134.2 Ų134.268%0.67574%0.744SS**  cis-80.1-17810.639.5-41.9000113.5
464D28.6Very low33.3Very low114 Ų114135.3 Ų135.361%0.6175%0.749SS**  cis-132.2-175.812.7-88.3-74.5000111.3R462R462-D464 PolarHBondContact NE-O 2.93Å; R462-D464 PolarHBondContact NH2-O 2.7Å
465F30Very low32.8Very low155 Ų155137 Ų13768%0.6875%0.751SS**  cis88.9153.93.8-81.9-127000118.8
466V31Very low33.3Very low116 Ų116137.3 Ų137.370%0.70375%0.75SS**  cis-142151.8-501140000112.2
467P50.1Low33.8Very low117 Ų117136 Ų13676%0.7675%0.751SS**  trans-129.9-167.5-155.546-32.4000115.5
468S27.9Very low34.1Very low100 Ų100135.5 Ų135.570%0.69975%0.753SS**  trans-157.1159.7144.561.10000115.6
469H33.7Very low34.1Very low185 Ų185141.3 Ų141.386%0.85676%0.759SS**  trans79.1151.2163.5-72-65.9000123.3
470R31.1Very low34.5Very low216 Ų216145.5 Ų145.582%0.81577%0.765SS**  trans-121.2156.3177.2-64.1175174.1178.3-3.1106.6
471H31.8Very low34.5Very low160 Ų160143 Ų14374%0.74177%0.766SS**  -179.6148.678.6-92.5-85.3000112.2
472S28Very low34.7Very low111 Ų111142.2 Ų142.278%0.77676%0.761SS**  trans62.2158.9140.5-57.80000122.9
473A30.1Very low35.6Very low95 Ų95137.6 Ų137.679%0.78575%0.754SS**  trans73.1107.3163.400000119I475A473-I475 PolarHBondContact O-N 3.12Å
474L39.7Very low35.6Very low172 Ų172137.3 Ų137.390%0.90175%0.747SS**  trans-71.7116.3158.5-92.3156000110
475I34.1Very low36.7Very low145 Ų145140.3 Ų140.374%0.74475%0.751SS**  trans-108.5108.3152.3-60.4176.7000106.3A473 P477A473-I475 PolarHBondContact O-N 3.12Å; I475-P477 WeakPolarHBondContact O-CD 3.15Å
476P37.6Very low37.6Very low103 Ų103138.2 Ų138.267%0.66974%0.743SS**PPolyproline II helixtrans-66.6121.2164.827.8-30.7000107.7
477P38.8Very low39Very low121 Ų121135.5 Ų135.579%0.78673%0.727SS**PPolyproline II helixtrans-61.5142.1176.425.9-33.3000109.8I475I475-P477 WeakPolarHBondContact O-CD 3.15Å
478S33.5Very low39.3Very low111 Ų111133 Ų13378%0.77671%0.709SS**PPolyproline II helixtrans-61.8144.6-170.939.70000113.1R480S478-R480 PolarHBondContact O-N 2.94Å
479Y33.1Very low40.6Very low233 Ų233131.7 Ų131.791%0.91469%0.693SS**  trans-54.9106.8179.2-144.3-93.5000110.1
480R37.1Very low41Very low231 Ų231130.6 Ų130.687%0.87268%0.681SS**PPolyproline II helixtrans-76.8131.4167.2-78.6-166.3174.5-148.70.3108.4S478 T482S478-R480 PolarHBondContact O-N 2.94Å; R480-T482 PolarHBondContact O-N 2.57Å
481A38.4Very low41.6Very low93 Ų93126.7 Ų126.777%0.76967%0.672SS**PPolyproline II helixtrans-58.1136.3173.300000110.5
482T38.6Very low42.3Very low126 Ų126126.7 Ų126.777%0.77367%0.67SS**PPolyproline II helixtrans-63.2137.2168.9420000109.9R480R480-T482 PolarHBondContact O-N 2.57Å
483P47.6Very low42.8Very low82 Ų82128 Ų12853%0.53267%0.668SS.*PPolyproline II helixtrans-64.5153.517629.4-35.4000111T487 V488P483-T487 HydrophobicContact CB-CG2 4.14Å; P483-V488 HydrophobicContact CG-CG2 4.01Å
484D47.7Very low43.3Very low97 Ų97134.4 Ų134.452%0.51967%0.672SS.*PPolyproline II helixtrans-69.7163.9179.164.737.2000113.3E486 T487 V488D484-E486 VanDerWaalsContact C-N 3.31Å; D484-E486 PolarHBondContact O-N 3.12Å; D484-E486 PolarHBondContact OD1-N 3.24Å; D484-T487 WeakPolarHBondContact O-CB 3.42Å; D484-T487 PolarHBondContact O-N 2.9Å; D484-T487 WeakPolarHBondContact OD1-CB 3.33Å; D484-T487 PolarHBondContact OD1-N 3.48Å; D484-T487 PolarHBondContact OD1-OG1 3.27Å; D484-V488 PolarHBondContact O-N 3.43Å; D484-V488 VanDerWaalsContact O-N 3.11Å
485Y50Low42.9Very low177 Ų177129.2 Ų129.269%0.69466%0.66SS**Hα-helixtrans-62.2-35.6-177.5-178.6-103.5000112.7V488 M489Y485-V488 PolarHBondContact O-N 3.44Å; Y485-M489 HydrophobicContact CD1-CG 4.16Å; Y485-M489 HydrophobicContact CD2-CG 4.25Å; Y485-M489 HydrophobicContact CE1-CG 3.84Å; Y485-M489 HydrophobicContact CE2-CG 3.94Å; Y485-M489 HydrophobicContact CE2-SD 4.18Å; Y485-M489 HydrophobicContact CG-CG 4.36Å; Y485-M489 WeakPolarHBondContact O-CB 3.4Å; Y485-M489 VanDerWaalsContact O-CG 3.22Å; Y485-M489 WeakPolarHBondContact O-CG 3.28Å; Y485-M489 PolarHBondContact O-N 3.23Å
486E50.2Low42.9Very low112 Ų112131.4 Ų131.452%0.52367%0.669SS.*Hα-helixtrans-62.1-44.3174-83.4-133.49200111.8D484 M489 R490D484-E486 VanDerWaalsContact C-N 3.31Å; D484-E486 PolarHBondContact O-N 3.12Å; D484-E486 PolarHBondContact OD1-N 3.24Å; E486-M489 PolarHBondContact O-N 2.99Å; E486-R490 VanDerWaalsContact O-CB 3.3Å; E486-R490 WeakPolarHBondContact O-CB 3.32Å; E486-R490 WeakPolarHBondContact O-CG 3.33Å; E486-R490 PolarHBondContact O-N 2.98Å; E486-R490 IonicContact OE1-CZ 3.04Å; E486-R490 IonicContact OE1-NE 2.68Å; E486-R490 PolarHBondContact OE1-NE 3.4Å; E486-R490 IonicContact OE1-NH2 3.23Å; E486-R490 PolarHBondContact OE1-NH2 2.92Å; E486-R490 IonicContact OE2-CZ 3.92Å; E486-R490 IonicContact OE2-NH2 2.92Å; E486-R490 PolarHBondContact OE2-NH2 3.47Å
487T60Low42.5Very low58 Ų58131.3 Ų131.336%0.35668%0.677SS.*Hα-helixtrans-62.6-44.4179.3-59.70000110.8P483 D484 Q491P483-T487 HydrophobicContact CB-CG2 4.14Å; D484-T487 WeakPolarHBondContact O-CB 3.42Å; D484-T487 PolarHBondContact O-N 2.9Å; D484-T487 WeakPolarHBondContact OD1-CB 3.33Å; D484-T487 PolarHBondContact OD1-N 3.48Å; D484-T487 PolarHBondContact OD1-OG1 3.27Å; T487-Q491 WeakPolarHBondContact O-CG 3.43Å; T487-Q491 PolarHBondContact O-N 2.84Å
488V56.8Low42Very low66 Ų66130 Ų13040%0.469%0.685SS.*Hα-helixtrans-65.5-44.2177.1176.30000111.5P483 D484 Y485 Q491 K492P483-V488 HydrophobicContact CG-CG2 4.01Å; D484-V488 PolarHBondContact O-N 3.43Å; D484-V488 VanDerWaalsContact O-N 3.11Å; Y485-V488 PolarHBondContact O-N 3.44Å; V488-Q491 PolarHBondContact O-N 3.05Å; V488-K492 PolarHBondContact O-N 3.42Å
489M54.7Low41.7Very low71 Ų71128 Ų12835%0.3568%0.683SS.*Hα-helixtrans-69.3-35.5179.9-68.1-64.7-78.400112.4Y485 E486 Q491 K492 N493Y485-M489 HydrophobicContact CD1-CG 4.16Å; Y485-M489 HydrophobicContact CD2-CG 4.25Å; Y485-M489 HydrophobicContact CE1-CG 3.84Å; Y485-M489 HydrophobicContact CE2-CG 3.94Å; Y485-M489 HydrophobicContact CE2-SD 4.18Å; Y485-M489 HydrophobicContact CG-CG 4.36Å; Y485-M489 WeakPolarHBondContact O-CB 3.4Å; Y485-M489 VanDerWaalsContact O-CG 3.22Å; Y485-M489 WeakPolarHBondContact O-CG 3.28Å; Y485-M489 PolarHBondContact O-N 3.23Å; E486-M489 PolarHBondContact O-N 2.99Å; M489-Q491 VanDerWaalsContact C-N 3.33Å; M489-K492 PolarHBondContact O-N 3.05Å; M489-N493 PolarHBondContact O-N 3.27Å
490R43.1Very low41.4Very low163 Ų163125.4 Ų125.462%0.61568%0.681SS**Hα-helixtrans-69.5-27172.5-70174.4-170.2-171.57.9113E486E486-R490 VanDerWaalsContact O-CB 3.3Å; E486-R490 WeakPolarHBondContact O-CB 3.32Å; E486-R490 WeakPolarHBondContact O-CG 3.33Å; E486-R490 PolarHBondContact O-N 2.98Å; E486-R490 IonicContact OE1-CZ 3.04Å; E486-R490 IonicContact OE1-NE 2.68Å; E486-R490 PolarHBondContact OE1-NE 3.4Å; E486-R490 IonicContact OE1-NH2 3.23Å; E486-R490 PolarHBondContact OE1-NH2 2.92Å; E486-R490 IonicContact OE2-CZ 3.92Å; E486-R490 IonicContact OE2-NH2 2.92Å; E486-R490 PolarHBondContact OE2-NH2 3.47Å
491Q43.3Very low41.1Very low134 Ų134119.7 Ų119.763%0.62667%0.672SS**Hα-helixtrans-75.3-43.2169.5-76.6-178.7-6.900112.2T487 V488 M489 N493 R494T487-Q491 WeakPolarHBondContact O-CG 3.43Å; T487-Q491 PolarHBondContact O-N 2.84Å; V488-Q491 PolarHBondContact O-N 3.05Å; M489-Q491 VanDerWaalsContact C-N 3.33Å; Q491-N493 VanDerWaalsContact C-N 3.28Å; Q491-N493 PolarHBondContact O-N 2.95Å; Q491-R494 PolarHBondContact O-N 2.63Å; Q491-R494 VanDerWaalsContact O-N 3.07Å
492K45Very low40.5Very low160 Ų160122.9 Ų122.970%0.69668%0.675SS**Hα-helixtrans-59-38.9-179.6-167.7176.8-179.9-176.40112.2V488 M489 R494V488-K492 PolarHBondContact O-N 3.42Å; M489-K492 PolarHBondContact O-N 3.05Å; K492-R494 PolarHBondContact O-N 2.8Å; K492-R494 VanDerWaalsContact O-N 3.08Å
493N40.3Very low39.9Very low138 Ų138122.6 Ų122.674%0.73868%0.679SS**THydrogen-bonded Turntrans-77.119.1177-71.22.7000114.6M489 Q491M489-N493 PolarHBondContact O-N 3.27Å; Q491-N493 VanDerWaalsContact C-N 3.28Å; Q491-N493 PolarHBondContact O-N 2.95Å
494R40.8Very low38.8Very low230 Ų230126.8 Ų126.887%0.86869%0.691SS**THydrogen-bonded Turntrans-134.717179-103.8-175.4177.2-151-2.6114.8Q491 K492Q491-R494 PolarHBondContact O-N 2.63Å; Q491-R494 VanDerWaalsContact O-N 3.07Å; K492-R494 PolarHBondContact O-N 2.8Å; K492-R494 VanDerWaalsContact O-N 3.08Å
495G30.3Very low37.7Very low62 Ų62129.4 Ų129.464%0.63970%0.7SS**  trans-116.722.5-156.700000120.2
496M33.8Very low36.7Very low191 Ų191127 Ų12794%0.94170%0.695SS**SBendtrans-149.738.7171.4-155.388.691.500115.3
497A29.8Very low35.6Very low101 Ų101131 Ų13184%0.83571%0.705SS**  trans-150.5102.9168.500000111.4
498G29Very low34Very low93 Ų93135.1 Ų135.196%0.95972%0.72SS**  trans-90.6106.317300000110.9
499G26.7Very low32.5Very low71 Ų71136.8 Ų136.873%0.73274%0.735SS**  trans-158.830.3-165.500000118.1
500M27.3Very low31.2Very low177 Ų177141.8 Ų141.887%0.87276%0.757SS**  trans64.2126.1162.8-68.8-171.993.700120.9
501V28.9Very low30.6Very low112 Ų112138.8 Ų138.868%0.67976%0.762SS**  90.2102127.4169.10000121.3
502L26.4Very low29.7Very low159 Ų159139.3 Ų139.383%0.83277%0.766SS**  trans94.8150130.2-83178.6000124.6
503S25.9Very low28.9Very low121 Ų121140.8 Ų140.885%0.84677%0.767SS**  trans75.3137.8170.7740000117.8
504Q25.3Very low28.4Very low170 Ų170141.3 Ų141.379%0.79477%0.77SS**  trans-151.7144.5-164.8168.9-174.5-16.400106
505E24.5Very low27.8Very low152 Ų152137.7 Ų137.771%0.7177%0.767SS**  trans162.3144.8132.1-84.1-148.3118.100113.3
506H28.6Very low27.6Very low126 Ų126142.5 Ų142.558%0.58378%0.778SS**  trans28.4144.1143.1-61.5102.8000121.4
507R26.8Very low27.3Very low195 Ų195140.9 Ų140.974%0.73677%0.771SS**  cis-163145.325.3-144.6157.3-170.3135.40.3115.4
508Q25.9Very low27.1Very low145 Ų145139 Ų13968%0.67876%0.762SS**  trans5.3134.2147.5-49.7164.1-75.200120
509S26.1Very low27.1Very low102 Ų102141.7 Ų141.771%0.71375%0.754SS**  162.8127.7111.3-740000118.1
510H26.7Very low27.1Very low175 Ų175144.3 Ų144.381%0.8176%0.762SS**  trans43.2109.3138.9-58.2-69.5000124.7
511S30.8Very low27.2Very low101 Ų101146.3 Ų146.371%0.70676%0.761SS**  45.2122.8106.9-167.60000121.6
512M25.7Very low27Very low144 Ų144145.8 Ų145.871%0.70977%0.769SS**  -176.1156.1112.3-100.1-74.9-84.200116.1
513R27.8Very low27.2Very low191 Ų191148.5 Ų148.572%0.72177%0.769SS**  trans-46.6153.8-175.2-65.7171.2169.6107-8.8120.8
514N28.9Very low27.3Very low149 Ų149148.8 Ų148.880%0.79777%0.771SS**  trans53.2131.4136.5-60.7-3.2000122.1
515L28.2Very low27.5Very low154 Ų154149.7 Ų149.781%0.80677%0.767SS**  trans-150.4128.2135.1-106.8177.8000111.4
516N26.9Very low28.1Very low163 Ų163148.3 Ų148.387%0.87277%0.771SS**  trans-104.9126.5166.8-97.7-3.1000108.9
517I27.1Very low28Very low158 Ų158147.2 Ų147.281%0.8177%0.77SS**  trans-142.8141.3165-64.7-177.6000107
518G24.8Very low29.5Very low62 Ų62143.5 Ų143.564%0.63977%0.771SS**  trans-133.7164.6-17900000114.4
519N30.3Very low29.6Very low149 Ų149144.5 Ų144.580%0.79778%0.78SS**  trans50123.3160.4-61.48.6000120.5
520S25.9Very low29.6Very low126 Ų126145.3 Ų145.388%0.88178%0.78SS**  trans-156.3137.7147.1-74.70000109.6
521Y30.4Very low29.7Very low218 Ų218147 Ų14786%0.85578%0.781SS**  trans-96.9158.9-178.6-79.4-101.3000112.2
522A24.8Very low29.5Very low102 Ų102146.7 Ų146.784%0.84378%0.779SS**  trans-150.5148.8155.700000110.9
523Y29.6Very low29.9Very low215 Ų215148.6 Ų148.684%0.84379%0.786SS**  trans-95.2159.7-173.9-103.2-111000113.4
524S28.1Very low30.4Very low127 Ų127145.4 Ų145.489%0.88879%0.79SS**  trans-165136.9132.1-81.10000112.4
525R28.5Very low30.3Very low190 Ų190146.3 Ų146.372%0.71779%0.789SS**  trans-141.8152.4167-136.8-172-158.4-1355.2106.6D527R525-D527 WeakPolarHBondContact CD-OD2 3.16Å; R525-D527 IonicContact CZ-OD1 2.58Å; R525-D527 IonicContact CZ-OD2 3.81Å; R525-D527 IonicContact NE-OD2 2.68Å; R525-D527 IonicContact NH1-OD1 3.5Å; R525-D527 PolarHBondContact NH1-OD1 3.42Å; R525-D527 IonicContact NH1-OD2 2.8Å; R525-D527 PolarHBondContact NH1-OD2 2.99Å
526P38.7Very low30.4Very low122 Ų122145.4 Ų145.479%0.79278%0.784SS**  -146.3175.3104.937.9-22.2000114.6
527D25.7Very low30.4Very low104 Ų104149 Ų14956%0.55679%0.786SS**  trans-99.3-146.9-178.7-58.9-96.7000111.8R525R525-D527 WeakPolarHBondContact CD-OD2 3.16Å; R525-D527 IonicContact CZ-OD1 2.58Å; R525-D527 IonicContact CZ-OD2 3.81Å; R525-D527 IonicContact NE-OD2 2.68Å; R525-D527 IonicContact NH1-OD1 3.5Å; R525-D527 PolarHBondContact NH1-OD1 3.42Å; R525-D527 IonicContact NH1-OD2 2.8Å; R525-D527 PolarHBondContact NH1-OD2 2.99Å
528P59.3Low30.3Very low117 Ų117147.3 Ų147.376%0.7678%0.782SS**  -121.6-178.5-99.839.5-23.5000114.2
529L28.1Very low30.3Very low165 Ų165151.8 Ų151.886%0.86479%0.786SS**  trans-169.4106.5152.3-108.9171.4000116.9
530V26.4Very low30Very low119 Ų119154.9 Ų154.972%0.72179%0.788SS**  trans1.7130.2136.9-174.60000120.7
531Y26.8Very low29.8Very low212 Ų212152.2 Ų152.283%0.83178%0.781SS**  167.3164101.9-154-130.6000117.4
532S27Very low29.5Very low93 Ų93145.4 Ų145.465%0.6578%0.777SS**  trans64.7125.8153.5470000124.4
533Q34.2Very low29.5Very low185 Ų185147 Ų14786%0.86478%0.776SS**  trans-83.5172.2142.8-67-180-53.900110.8
534P38.3Very low29.3Very low124 Ų124141.4 Ų141.481%0.80577%0.768SS**  trans-140121.5132.135.6-21.9000116.5
535E28.1Very low29.2Very low167 Ų167142.6 Ų142.678%0.7876%0.76SS**  trans27.7125.2132.3-62.5-177.215200125.1
536I29.5Very low29.1Very low136 Ų136140.1 Ų140.170%0.69776%0.756SS**  65.6110.4124.5-53.8167.2000121.5
537R26.1Very low28.4Very low239 Ų239141.5 Ų141.590%0.90275%0.752SS**  trans170.4130.1133.7-93.5167.1-166.2-1623.7107.6
538V26.1Very low28.3Very low122 Ų122145.3 Ų145.374%0.73977%0.766SS**  cis84.312418.4-163.70000114.9
539E23.9Very low26.5Very low155 Ų155149.6 Ų149.672%0.72477%0.769SS**  trans92.3116.3170-57.2-126.8114.900121.8
540Y23.8Very low26.8Very low215 Ų215147.1 Ų147.184%0.84376%0.762SS**  trans33.5142.9136.2-66.4-83.4000124.3
541G22.5Very low26.7Very low70 Ų70148.7 Ų148.772%0.72276%0.76SS**  14682.5105.500000121
542G23.6Very low26.6Very low74 Ų74146.5 Ų146.576%0.76376%0.757SS**  trans70.4176150.200000118.4
543T24.7Very low26.7Very low135 Ų135148.5 Ų148.583%0.82876%0.759SS**  cis-159.9171.7-6.8-8.90000111.1
544S25.2Very low26.1Very low98 Ų98143.6 Ų143.669%0.68576%0.758SS**  trans87.3137.6165.1-520000116.8
545Q26.2Very low25.6Very low152 Ų152142.1 Ų142.171%0.7175%0.751SS**  cis-165.3162.6-6.7-124.4166.51.600112
546H26.7Very low25.7Very low138 Ų138138.8 Ų138.864%0.63975%0.746SS**  trans64.6158.6163.6-61.6-56.3000118.7
547H24.9Very low25.6Very low151 Ų151141.5 Ų141.570%0.69975%0.754SS**  cis-164.9165.6-40-107.48.6000109.6
548Q23.9Very low25.8Very low184 Ų184138 Ų13886%0.8675%0.747SS**  trans62.6106.9159.6-73.4171.8-54.500121
549Y21.2Very low26.3Very low208 Ų208137.5 Ų137.582%0.81675%0.749SS**  trans-65.9156.7139.6-101.6-79.9000110.2
550P34.7Very low26.8Very low112 Ų112136.2 Ų136.273%0.72775%0.754SS**  -147.8160.17539-19.9000118.5
551F23.7Very low27.4Very low153 Ų153130.9 Ų130.967%0.67175%0.748SS**  trans16.3155.5136.4-65.1-88.8000122
552H24.4Very low28Very low166 Ų166133.5 Ų133.577%0.76975%0.752SS**  cis-148.2168.226.6-130.5-69.1000114.4
553L29.3Very low28.5Very low134 Ų134139.4 Ų139.470%0.70275%0.753SS**  trans-75.9164.1177.1-61.489.2000114.6
554G21.6Very low28.9Very low82 Ų82139 Ų13985%0.84575%0.753SS**  trans-145123.3150.100000110.4
555S27.9Very low28.9Very low94 Ų94144.1 Ų144.166%0.65776%0.758SS**  trans-131.7158.6-171-57.60000113.4
556S28.7Very low30.4Very low96 Ų96142 Ų14267%0.67176%0.758SS**  trans92.7129.6137.3-85.30000124.3
557F27.8Very low30.9Very low194 Ų194140.6 Ų140.685%0.85176%0.761SS**  trans95.2159.4134.7-69.3-46.5000123.8
558H30.8Very low31.1Very low166 Ų166139.4 Ų139.477%0.76976%0.756SS**  trans-102.4161.7-148.5-81.9-89.2000116.3
559S37.2Very low31.3Very low111 Ų111139.4 Ų139.478%0.77675%0.748SS**  trans70.1169.5146.2-76.30000117.4
560P34.3Very low31.7Very low127 Ų127138.9 Ų138.983%0.82574%0.744SS**  cis-132-158.211.444-25.7000115.8
561S35.7Very low32.2Very low104 Ų104138.4 Ų138.473%0.72774%0.741SS**  trans-116.5148.7174.41730000111
562P36.2Very low32.4Very low125 Ų125137.6 Ų137.681%0.81275%0.748SS**  -152.3175.6118.338.5-20.6000116.9
563Y34Very low32.6Very low198 Ų198136.4 Ų136.478%0.77675%0.752SS**  trans-92.9158.8172.9-105.4-82000113.1
564P32.5Very low32.7Very low126 Ų126133.1 Ų133.182%0.81875%0.751SS**  -151.6-179.5104.337.6-18.1000117.5
565Y26.1Very low33.1Very low205 Ų205134 Ų13480%0.80475%0.75SS**  trans-106.7-170.3-178.3-92.4-74.1000112.5
566P56.8Low33.1Very low107 Ų107135.6 Ų135.670%0.69576%0.756SS**  cis-124.5-161.1-41.639.2-20.7000110.9
567P37.8Very low32.9Very low109 Ų109136.3 Ų136.371%0.70876%0.761SS**  -155.5148.277.539.6-18.2000119.4
568E29.2Very low33.3Very low126 Ų126133.9 Ų133.959%0.58976%0.762SS**  trans49.3142.4139.2-65.6-154.9101.600122.6R570E568-R570 IonicContact OE1-NH2 2.77Å
569R27.9Very low34.1Very low185 Ų185131.2 Ų131.270%0.69876%0.759SS**  cis-170.2179.427.2-111.1151.6-160.5-178.116107
570R29.5Very low33.8Very low197 Ų197134 Ų13474%0.74376%0.76SS**  cis177.3-179-23.3-106.9-172.5-151.9172.98.1106.1E568E568-R570 IonicContact OE1-NH2 2.77Å
571P44.4Very low33.8Very low102 Ų102134.6 Ų134.666%0.66276%0.755SS**  cis-140.2161.5-31.638.5-20.4000117.3
572V27.5Very low33.5Very low135 Ų135135 Ų13582%0.81875%0.754SS**  trans65.2135.6139.7167.10000120.2
573V30Very low33.2Very low141 Ų141135.8 Ų135.886%0.85575%0.751SS**  cis-137.9-177.69.2-117.30000110.4
574G30.5Very low33Very low65 Ų65131.9 Ų131.967%0.6775%0.748SS**  cis135.5117.3-8.700000117.7
575A29.4Very low32.9Very low101 Ų101133.3 Ų133.384%0.83574%0.743SS**  trans65.3161.9166.800000118.9
576V28.4Very low33.2Very low128 Ų128129.4 Ų129.478%0.77674%0.736SS**  cis-145.7126.514.6175.20000108.2
577S26Very low31.9Very low111 Ų111131.7 Ų131.778%0.77674%0.737SS**  82142.683.3-38.90000119.9
578V35.5Very low31.4Very low142 Ų142134.7 Ų134.786%0.86174%0.742SS**  trans-77.7-168.8-172.2-102.70000115
579P48.4Very low31.3Very low111 Ų111133.3 Ų133.372%0.72175%0.752SS**  cis-147.1-152.817.843.9-19.5000118.4
580E30.7Very low31.3Very low168 Ų168132.4 Ų132.479%0.78576%0.756SS**  trans101.1136.7165-57.1-158.4160.400118.7
581L34.3Very low31.1Very low140 Ų140130.3 Ų130.373%0.73375%0.754SS**  cis-158.5171.1-9.8-116.3172.6000111.7
582T29.1Very low30.1Very low114 Ų114135.6 Ų135.670%0.69976%0.762SS**  trans-123.7164.3-171.7480000115.4
583N28.8Very low31Very low141 Ų141134.4 Ų134.475%0.75476%0.758SS**  trans159.5144.6140.7-82.1-44.6000112.4
584V31.1Very low30.8Very low116 Ų116132.1 Ų132.170%0.70375%0.753SS**  cis96.7128.722.1171.80000113
585Q29.6Very low31.8Very low155 Ų155134.1 Ų134.172%0.72475%0.754SS**  cis-164.3174.1-11.6-114.6-155.6105.200113.9
586L31.9Very low31.9Very low123 Ų123135.8 Ų135.864%0.64475%0.749SS**  trans70.3130.9146.6-75.5164.7000126.2
587Q29.4Very low32.1Very low155 Ų155136.2 Ų136.272%0.72475%0.746SS**  trans42.2147.8130.5-76.9-174.818.900127.5
588Q28.1Very low32.4Very low173 Ų173137.5 Ų137.581%0.80874%0.741SS**  trans85.9138.1146.3-81.5-174.834.400124.4
589A27.1Very low32.3Very low96 Ų96139.9 Ų139.979%0.79374%0.735SS**  trans77.4159.114600000123.7
590Q26.8Very low31.5Very low167 Ų167140.2 Ų140.278%0.7874%0.735SS**  trans-75.9169.5176.6-64.2148.8-110.100110.9
591E25.5Very low31.6Very low152 Ų152140.5 Ų140.571%0.7174%0.736SS**  cis-159.1-177.325.5-150.9142.1-116.100113.5
592Y24.7Very low31.6Very low213 Ų213139.8 Ų139.884%0.83574%0.737SS**  trans-52.5-179.8-177.6-74.9-79.9000119.5
593P45.2Very low31.6Very low111 Ų111145.1 Ų145.172%0.72175%0.746SS**  cis-143.1159.9-2432.5-10.9000119.2
594A26.8Very low31.6Very low93 Ų93149.3 Ų149.377%0.76975%0.752SS**  trans68.9-175.7144.300000120.5
595P51.4Low32.6Very low106 Ų106149.5 Ų149.569%0.68876%0.755SS**  -134.6-177.9-80.242.9-28000117.8
596N31.5Very low33.4Very low137 Ų137148 Ų14873%0.73376%0.759SS**  trans95.1119.8148.5-74.8-18000124.8
597I32.6Very low34.7Very low136 Ų136147.6 Ų147.670%0.69776%0.763SS**  79.3107.4126-62.4172.5000122.2
598M30.9Very low35.6Very low138 Ų138146.4 Ų146.468%0.6877%0.769SS**  44.9155.6121.4-59.2-161.5151.700122.7
599R33.8Very low35.6Very low193 Ų193142.9 Ų142.973%0.72876%0.763SS**  cis-172.2143.65.9-125.7176-177.5146.8-1.4113.2
600T33.1Very low36.9Very low117 Ų117144.4 Ų144.472%0.71876%0.764SS**  trans58.1162.5147.654.70000120
601Q32.7Very low37.3Very low174 Ų174145.8 Ų145.881%0.81376%0.764SS**  cis-147.8141.830.2-74.3-172.718.600112.8
602V34Very low37.4Very low125 Ų125143.1 Ų143.176%0.75877%0.768SS**  84.4119.290.8-178.30000118.5
603Y29.5Very low38.1Very low227 Ų227140.7 Ų140.789%0.8976%0.764SS**  trans-156.2175.2138.3-141.6-99000111.8
604R27.1Very low38.3Very low229 Ų229141.1 Ų141.186%0.86477%0.766SS**  trans-148.9152.1-168.4-134.4-175.7-178.7-174.30.9115.9
605P53Low38.7Very low119 Ų119147.3 Ų147.377%0.77377%0.77SS**  trans-118.9168.7-177.442.6-32.3000116.5
606P46.6Very low38.3Very low124 Ų124148.2 Ų148.281%0.80578%0.776SS**  trans-111.9173.3-178.842.8-39000117.5
607P59Low38.1Very low114 Ų114144.9 Ų144.974%0.7477%0.767SS**  trans-132.7-171.3178.743.9-28000116.1
608P47.4Very low37.8Very low130 Ų130146.1 Ų146.184%0.84478%0.775SS**  -146.1176.6125.339-23.8000116.9
609C30Very low37.6Very low100 Ų100145 Ų14568%0.67678%0.781SS**  trans-123.3-172.7-174-49.80000114.5
610P52.7Low37.4Very low128 Ų128142.1 Ų142.183%0.83179%0.785SS**  -124.9-167.3129.340.1-35.1000113.7
611Y36.3Very low37.8Very low196 Ų196142.3 Ų142.377%0.76979%0.788SS**  trans-148152.1-172.6-96.8-103.4000114.7H613Y611-H613 AromaticContact CD1-NE2 3.8Å; Y611-H613 AromaticContact CE1-NE2 3.66Å
612A26.8Very low37.5Very low96 Ų96140.9 Ų140.979%0.79379%0.786SS**  trans-151152.3153.500000111.5
613H39.3Very low37.3Very low161 Ų161141.3 Ų141.375%0.74578%0.784SS**  trans-153.6176.7-162.9-94.32.5000112Y611Y611-H613 AromaticContact CD1-NE2 3.8Å; Y611-H613 AromaticContact CE1-NE2 3.66Å
614P50.3Low37.1Very low120 Ų120134.9 Ų134.978%0.77977%0.772SS**  cis-140.2-166.920.542.2-21.3000117.9
615R34Very low37.2Very low224 Ų224134.6 Ų134.685%0.84577%0.771SS**  trans-117.7-178.8166.6-47.9-175.9-173.3170.20.8111.4
616P43.8Very low36Very low125 Ų125137.3 Ų137.381%0.81277%0.773SS**  -127.3176.459.411.913.3000113.9
617A27.4Very low35.2Very low66 Ų66138.5 Ų138.555%0.54577%0.771SS.*  cis86.6114.6-4.200000121.9
618N26.2Very low33.7Very low162 Ų162141.4 Ų141.487%0.86677%0.769SS**  trans-169.6155.2154.3-101.8-10.7000115.2
619S25.8Very low32.7Very low116 Ų116141.3 Ų141.381%0.81177%0.766SS**  trans55122.3155.953.70000124.5
620T30.3Very low32.4Very low132 Ų132139.7 Ų139.781%0.8176%0.755SS**  trans-78159.4149.7-4.10000111
621P41.8Very low31.1Very low121 Ų121138 Ų13879%0.78675%0.747SS**  -153.7147.676.439.6-19.3000119.5
622D27.2Very low30.6Very low143 Ų143134.3 Ų134.377%0.76575%0.749SS**  43.5160.9126.3-139.7-4.9000125.7
623L29.3Very low30.7Very low135 Ų135136.3 Ų136.371%0.70775%0.747SS**  trans80.4102.3157.7-65.2173.9000122.8
624S25.6Very low30.6Very low92 Ų92134.8 Ų134.864%0.64375%0.751SS**  51.9148.5112.687.90000121.3
625R27.9Very low29.5Very low223 Ų223135.4 Ų135.484%0.84275%0.748SS**  cis-148.5168.420.8-66.4-174.9177.4-156.6-4.2109.4
626H29.2Very low29.5Very low176 Ų176132.1 Ų132.182%0.81575%0.747SS**  cis59.9143.646.6-84.4-37.2000113.7
627L29.1Very low28.6Very low148 Ų148133.4 Ų133.478%0.77575%0.745SS**  cis-134179.72.9-64.6173.1000108.7
628Y28.2Very low29Very low176 Ų176138 Ų13869%0.6976%0.758SS**  cis-126.2-106.8-0.8-172.2-172.3000110.6S630Y628-S630 WeakPolarHBondContact CE1-OG 3.47Å; Y628-S630 PolarHBondContact OH-OG 3.02Å
629V25Very low29.1Very low128 Ų128136 Ų13678%0.77675%0.752SS**  cis-144.5111.8-7.9-1730000105.8
630S24.4Very low29.4Very low65 Ų65141 Ų14146%0.45575%0.753SS.*  64.3127.385.7-131.30000116.9Y628Y628-S630 WeakPolarHBondContact CE1-OG 3.47Å; Y628-S630 PolarHBondContact OH-OG 3.02Å
631S24.9Very low29.3Very low93 Ų93146.6 Ų146.665%0.6576%0.76SS**  cis176.4133-14.1420000111.5
632S25.5Very low28.8Very low118 Ų118146.2 Ų146.283%0.82576%0.755SS**  trans175.5152.1140.848.20000112.5
633N30.4Very low28.9Very low138 Ų138147.8 Ų147.874%0.73876%0.757SS**  trans-77.4170.9169.9-60.5-11.1000111.1
634P36.5Very low28.9Very low130 Ų130150 Ų15084%0.84476%0.764SS**  -132.5167.295.338.9-31.5000115.4
635D27.5Very low28.8Very low133 Ų133151.1 Ų151.171%0.71177%0.772SS**  trans-90.7160.7174-106.9-56.5000111.9
636L32.9Very low28.8Very low155 Ų155146.1 Ų146.181%0.81277%0.766SS**  trans55.9128.7154.5-62.1163.3000120.2
637I26.2Very low28.7Very low152 Ų152146.4 Ų146.478%0.77977%0.767SS**  -174.8149.8102.1-95.8169.1000111
638I34.7Very low28.6Very low161 Ų161144.8 Ų144.883%0.82676%0.764SS**  trans-109.9126.6172.4-62165.1000109.2
639T29.5Very low28.5Very low120 Ų120145.8 Ų145.874%0.73677%0.772SS**  trans-143.3122.2157.338.30000108.4
640R31Very low28.5Very low221 Ų221148.6 Ų148.683%0.83478%0.777SS**  55.2108.978.3-81.9-168.8168.9-170.7-2.9113.7
641R29.5Very low28.6Very low250 Ų250154 Ų15494%0.94379%0.794SS**  trans-73.6142150.7-63.5179.2-176160.31.1108.6
642V30.2Very low28.5Very low114 Ų114156 Ų15669%0.69180%0.798SS**  trans-144.8137.9166.4-177.20000107.1
643H29.3Very low28.4Very low176 Ų176155 Ų15582%0.81579%0.791SS**PPolyproline II helixtrans-69.5141.8174.2-92.3-138.3000111.4
644H28.3Very low28.6Very low181 Ų181156.2 Ų156.284%0.83880%0.797SS**PPolyproline II helixtrans-85122.4174.7-80.2-75.4000111.9
645S25.4Very low28.2Very low116 Ų116155.9 Ų155.981%0.81179%0.794SS**PPolyproline II helixtrans-100.2116.9143.660.90000107.9
646V26Very low28.2Very low118 Ų118155.8 Ų155.872%0.71580%0.799SS**PPolyproline II helixtrans-75.5132.1-171.6177.90000111.5T648V646-T648 HydrophobicContact CG1-CG2 3.97Å
647Q27.4Very low27.8Very low182 Ų182152.4 Ų152.485%0.8579%0.793SS**  trans-127.7119.3155.3-160.4166.849.600109.1
648T28.5Very low27.8Very low114 Ų114154.2 Ų154.270%0.69980%0.798SS**  trans-79.7130.3-170.352.20000112.2V646V646-T648 HydrophobicContact CG1-CG2 3.97Å
649F25.5Very low27.6Very low196 Ų196151.6 Ų151.686%0.8679%0.794SS**  trans-130143.8152.2-90.9-83.6000109.5
650Q24.6Very low27.6Very low187 Ų187154.1 Ų154.187%0.87480%0.802SS**  trans-84.9154.3-173-56.5175.1-113.900111.1
651E26.3Very low27.5Very low178 Ų178151.5 Ų151.583%0.83280%0.799SS**  trans-53.2143.6145-63.2156139.900107.8
652D23.3Very low27.4Very low137 Ų137146.8 Ų146.873%0.73379%0.787SS**  cis-163.716948.4-145.4-32.2000112.8
653S24.1Very low27.3Very low96 Ų96147.6 Ų147.667%0.67179%0.793SS**  trans21.2121.8146.3-64.90000120.1P655S653-P655 VanDerWaalsContact O-CD 3.31Å; S653-P655 WeakPolarHBondContact O-CD 3.4Å
654L34.5Very low27.2Very low164 Ų164144.2 Ų144.286%0.85979%0.789SS**  trans-70.5125.3151.8-74170.1000110.6
655P27.3Very low27.2Very low122 Ų122144.4 Ų144.479%0.79279%0.79SS**  trans-93.6105.2157.233.2-26.7000109.7S653S653-P655 VanDerWaalsContact O-CD 3.31Å; S653-P655 WeakPolarHBondContact O-CD 3.4Å
656V27.9Very low27.6Very low132 Ų132143.2 Ų143.280%0.878%0.779SS**  trans-88110.5169174.70000108.8
657A24.4Very low27.6Very low83 Ų83144.2 Ų144.269%0.68678%0.78SS**  trans-151.2111.8167.900000113.4
658H25.6Very low27.7Very low191 Ų191143.9 Ų143.988%0.88478%0.776SS**  trans49138.4137.5-70-86.7000123.8
659S31.8Very low27.6Very low106 Ų106143 Ų14374%0.74177%0.774SS**  trans-72.4174.9163.3-51.30000113
660L28.6Very low27.5Very low173 Ų173138.2 Ų138.291%0.90677%0.771SS**SBendtrans81.9140.8173.4-56.1177.3000115.1
661Q29.2Very low27.8Very low166 Ų166135 Ų13578%0.77677%0.766SS**SBendtrans-79.5127.1174.1178172.1-15.300108.6
662E27.5Very low28.6Very low150 Ų150131.6 Ų131.670%0.70176%0.76SS**SBendtrans73.8110.9164.3-71.7161.8-129.800119.7
663V26.8Very low28.6Very low132 Ų132132 Ų13280%0.876%0.757SS**  trans85.1144.4139.2-177.80000119.8
664S28Very low28.6Very low105 Ų105136.2 Ų136.273%0.73476%0.758SS**  trans70.189.8168.138.70000120.5
665E27.5Very low28Very low185 Ų185135.2 Ų135.286%0.86475%0.749SS**  15.5161.7105.6-74.6-154.1152.800121.7
666P34Very low28.5Very low90 Ų90134.4 Ų134.458%0.58474%0.744SS**  cis-150.5-173.5-37.745.3-27.6000114.7
667L26.7Very low28.4Very low140 Ų140136.6 Ų136.673%0.73374%0.739SS**  trans60.5147.7160.2-56.4171.3000117.6
668F29.3Very low28.7Very low175 Ų175139.5 Ų139.577%0.76874%0.738SS**  cis-163152.547.6-112.9-77.7000114.2
669S26.9Very low28.9Very low95 Ų95134 Ų13466%0.66473%0.726SS**  trans23.2126.3147.365.60000124.8
670A22.8Very low28.7Very low96 Ų96137.4 Ų137.479%0.79373%0.729SS**  73.9166.5116.700000121.5
671P32Very low28.8Very low119 Ų119138.5 Ų138.577%0.77373%0.727SS**  trans-112.4-163.2-167.147-37.3000112.1
672P41.8Very low28.8Very low106 Ų106140.6 Ų140.669%0.68873%0.728SS**  cis-130.7-155.3-942.7-24.9000113.1
673H24.3Very low28.8Very low146 Ų146139.4 Ų139.468%0.67673%0.726SS**  trans75.8150.1159.6-92.934.3000117.6
674R24.3Very low28.8Very low185 Ų185137.6 Ų137.670%0.69872%0.719SS**  cis-164.1137-14-145.7-172.2-153.4167.78.2110.7
675Q21.9Very low29Very low142 Ų142139.9 Ų139.966%0.66472%0.722SS**  trans59.5-179157.1-85.6172.9-35.100116.5
676P36.6Very low28.9Very low105 Ų105139.4 Ų139.468%0.68272%0.719SS**  cis-122.8173.9-8.114.411.4000115.6
677Y27.4Very low28.7Very low179 Ų179143 Ų14370%0.70273%0.732SS**  trans20153.4139-61.7-58000122.9
678H30.6Very low28.7Very low144 Ų144141.4 Ų141.467%0.66774%0.739SS**  cis-159.6159.914.7-128.1-46.3000114
679A29.2Very low28.6Very low76 Ų76136.5 Ų136.563%0.62874%0.738SS**  trans78147.9141.300000120
680H27.3Very low28.6Very low176 Ų176139.9 Ų139.982%0.81575%0.747SS**  cis-157.1169.6-15.7-110.7-11.9000112
681K30Very low28.7Very low196 Ų196138.7 Ų138.785%0.85274%0.738SS**  trans-90.8158.5171.8-66.3-179.7177.2-1800112
682R29.8Very low28.4Very low210 Ų210141.5 Ų141.579%0.79274%0.74SS**  trans-132.1120.6134.4-86.6-174.2168.9163.4-3.4107.2
683N27.1Very low27.7Very low126 Ų126141 Ų14167%0.67474%0.739SS**  85.6110.599.6-67.919.1000110.8
684S28.1Very low27.7Very low94 Ų94141.1 Ų141.166%0.65774%0.744SS**  63.4121.682.670.90000112.5
685I30.9Very low27.7Very low153 Ų153140.4 Ų140.479%0.78575%0.748SS**  57.6121.369.6-63.9174.7000108.6
686E25.9Very low27.9Very low174 Ų174138.1 Ų138.181%0.81375%0.754SS**  cis-119.3164.929.8-62.7175148.500112.1
687I30.3Very low27.4Very low166 Ų166139.3 Ų139.385%0.85176%0.759SS**  55.295.156.7-51.1-178.4000114.7
688A25.8Very low27.4Very low107 Ų107141.4 Ų141.488%0.88477%0.766SS**  trans-144.8141.3152.400000108.5
689G27Very low27.3Very low71 Ų71140.8 Ų140.873%0.73277%0.772SS**  trans-156.5136.7177.600000111.5
690L27.5Very low27.2Very low166 Ų166144.1 Ų144.187%0.86977%0.772SS**  trans168.2122.7166.9-89.8159000103
691A25.6Very low27.2Very low71 Ų71142 Ų14259%0.58776%0.762SS**  65.3134.475.900000111.9
692H25.8Very low27.1Very low178 Ų178142.4 Ų142.482%0.82476%0.759SS**  cis-141.3142.212-92.8-70.6000109.4
693S25.3Very low27Very low96 Ų96138 Ų13867%0.67176%0.755SS**  87.113195.8-162.10000117.1
694L25Very low27.1Very low148 Ų148140.7 Ų140.778%0.77577%0.766SS**  trans75.6145.2161.5-72.3162.8000121.8
695E24.8Very low27Very low170 Ų170142.1 Ų142.179%0.79478%0.776SS**  trans46104.7157.8-66.2169.4-168.600118.9
696A26.2Very low27Very low94 Ų94140.8 Ų140.878%0.77778%0.78SS**  75107.150.100000116
697V26.4Very low27.1Very low131 Ų131138.3 Ų138.379%0.79478%0.782SS**  trans-164132.9150.3127.70000112.2
698R27.2Very low27.2Very low222 Ų222135.1 Ų135.184%0.83878%0.781SS**  trans35128.3154.7-55.4173.1-175.3176.31.8118.6
699V28.2Very low27.5Very low132 Ų132134.2 Ų134.280%0.877%0.773SS**  -165.3157.380.8140.20000110.4
700K26.7Very low27.6Very low146 Ų146140 Ų14064%0.63578%0.781SS**  cis155.9112.4-29.6162.1-126.3107.6-90.50108.4
701E26.8Very low27.7Very low130 Ų130136.4 Ų136.461%0.60778%0.776SS**  trans-164.5133.7147.3-95.1-148.3115.200112.4
702R28.8Very low27.9Very low206 Ų206137 Ų13778%0.77778%0.781SS**  trans36.8137.1139.7-61177.2169.9142.2-13119.8
703T27.7Very low28.1Very low117 Ų117135.2 Ų135.272%0.71878%0.782SS**  cis-160.9157.124.4-20.20000114.7
704M28.6Very low29.3Very low182 Ų182136.3 Ų136.390%0.89779%0.787SS**  trans74.9157.4157.6-60.4-144.4166.700120
705S26.9Very low30.9Very low124 Ų124134.5 Ų134.587%0.86778%0.784SS**  trans-141.4160.3-159.1-43.80000112.1
706S29.4Very low32.1Very low125 Ų125132.4 Ų132.487%0.87479%0.786SS**  trans-142161148.458.10000109
707S29.7Very low32.4Very low123 Ų123133.7 Ų133.786%0.8678%0.784SS**  trans-138.8144.8-161-177.60000113.2
708A32.4Very low32.7Very low98 Ų98134 Ų13481%0.8179%0.786SS**  trans-158.4147.4152.300000110.5
709A30.7Very low32.9Very low88 Ų88131.2 Ų131.273%0.72778%0.782SS**  trans-102.5-170170.500000109.1
710E30.2Very low33.2Very low192 Ų192130.5 Ų130.590%0.89778%0.782SS**  cis-152.6-149.912.4-153.6150.8-140.700110.8
711A30Very low33.1Very low92 Ų92126.9 Ų126.976%0.7679%0.786SS**  trans-132.4168.6-155.500000118.3
712A29.4Very low33.4Very low84 Ų84126.1 Ų126.169%0.69480%0.795SS**  trans88.3111.4140.100000123.6
713T29.7Very low33.5Very low139 Ų139124.2 Ų124.285%0.85380%0.795SS**  trans74.2163.2137.934.50000121.2
714P49.5Very low33.6Very low119 Ų119123.4 Ų123.477%0.77379%0.79SS**  trans-122-132.5-142.129.8-4.4000117.2
715P60.1Low33.5Very low111 Ų111121.4 Ų121.472%0.72178%0.783SS**  -110.5-179.3-102.441.9-28.3000114.7
716P48.3Very low33.6Very low126 Ų126120.7 Ų120.782%0.81877%0.773SS**  -1591809642.5-21.8000119.7
717V34.3Very low33.3Very low121 Ų121122.9 Ų122.973%0.73377%0.767SS**  trans-39.9158.6174.7178.10000120.7
718V31.3Very low33.3Very low138 Ų138123.3 Ų123.384%0.83676%0.759SS**  trans-137172.716175.40000112.1
719H33.1Very low33Very low163 Ų163126.6 Ų126.676%0.75576%0.758SS**  trans-145.3170.6-168.3-795.5000113.6
720S33.8Very low32.9Very low117 Ų117131 Ų13182%0.81876%0.763SS**  cis176.1151.5-31.7-171.80000111.1
721G25.2Very low32.7Very low69 Ų69125.7 Ų125.771%0.71175%0.752SS**  trans106.4-175.2152.600000120.1
722S32.1Very low32.5Very low114 Ų114130.8 Ų130.880%0.79776%0.757SS**  cis-174.9166.5-34.7-159.10000113.3
723Q31.1Very low32.3Very low167 Ų167132.5 Ų132.578%0.7876%0.759SS**  trans81.1151.4151.5-67.4-146.3-900123.8
724V28.7Very low32.1Very low100 Ų100131.4 Ų131.461%0.60675%0.752SS**  cis-175.6175.4-25.971.70000113.4
725N27.9Very low30.9Very low139 Ų139132.5 Ų132.574%0.74375%0.747SS**  trans85.8150153.4-79.6-4.4000121.1
726V28.2Very low29.3Very low109 Ų109137 Ų13766%0.66175%0.749SS**  cis-164.1145.91.9113.90000116.7
727F24.5Very low28.3Very low172 Ų172134.3 Ų134.375%0.75474%0.738SS**  trans77.9133.7147-86.5-138.9000128.9
728L29Very low27.9Very low131 Ų131135.8 Ų135.869%0.68674%0.742SS**  trans47153.7136.3-9664.5000123.5
729E26.2Very low27.8Very low168 Ų168133.4 Ų133.479%0.78574%0.737SS**  cis-142.6-162.93.8-152.5173.5152.200112.8
730H27.4Very low27.4Very low180 Ų180133.6 Ų133.683%0.83374%0.738SS**  trans-86.2177.2-165.3-78.515.3000114.6
731A26Very low27.1Very low81 Ų81138.8 Ų138.867%0.66974%0.741SS**  cis-163.9168.928.700000117
732K26.2Very low27.1Very low198 Ų198139 Ų13986%0.86174%0.743SS**  trans71.8142.6152.3-78.1-180179.8178.90118.9
733T25.9Very low27.2Very low120 Ų120141.7 Ų141.774%0.73674%0.743SS**  cis-174.7150.3-2312.40000105.1
734T24.3Very low27.2Very low117 Ų117142 Ų14272%0.71874%0.742SS**  cis-151.7126.919.5-400000105.2
735E25.3Very low27.5Very low141 Ų141146.6 Ų146.666%0.65975%0.754SS**  51.614182.7-62.9-147.1140.300115.2
736R26.3Very low27.6Very low205 Ų205144.7 Ų144.777%0.77475%0.751SS**  cis-168.5171.2-6.1-100.7-170.8-149.7175.116.3106.9
737A26.7Very low27.6Very low70 Ų70146.8 Ų146.858%0.57976%0.758SS**  cis-174-176.8-23.800000110.2
738D26.8Very low27.9Very low153 Ų153142.8 Ų142.882%0.81875%0.751SS**  trans66.7115.1150.4-60.3-24.3000124.5
739A28.3Very low27.8Very low88 Ų88143.8 Ų143.873%0.72776%0.757SS**  74.6123119.200000124.8
740Q25Very low27.9Very low167 Ų167139.9 Ų139.978%0.7875%0.754SS**  trans70.7132.6135.2-94-177.9-19.700123.8
741Y28Very low27.9Very low225 Ų225137.9 Ų137.988%0.88275%0.754SS**  trans61.8150.2159.4-79.8-81.1000119.6
742G26Very low27.9Very low74 Ų74141.4 Ų141.476%0.76376%0.759SS**  trans150.8145.4164.500000115.8
743H33.2Very low27.8Very low171 Ų171138.3 Ų138.379%0.79275%0.751SS**  trans-133.7138.6177.7-106.2-22000111.5
744K31.4Very low27.8Very low172 Ų172137.6 Ų137.675%0.74875%0.746SS**  trans67.5126.5144.9-69.6175179.1169.80121.4
745K33.9Very low27.8Very low198 Ų198140 Ų14086%0.86175%0.749SS**  trans85.7121.7131.2-80.5-172.6170.9-164.70121.8
746S30Very low28Very low99 Ų99137.5 Ų137.569%0.69275%0.747SS**  79.2123.4125.8-165.30000120.1
747L30.1Very low28Very low153 Ų153133.6 Ų133.680%0.80175%0.752SS**  -175.5134.5101.1-99.3174.2000115.7
748S29.7Very low28Very low87 Ų87133.5 Ų133.561%0.60876%0.757SS**  trans48.7141.5136.465.10000126.1
749D28.1Very low27.9Very low152 Ų152135.3 Ų135.381%0.81376%0.76SS**  trans82.593.7136.1-62.91.4000123.7
750A27.7Very low27.8Very low87 Ų87138.5 Ų138.572%0.71977%0.766SS**  45.2125.1112.600000122.3
751T26.6Very low27.9Very low137 Ų137138.7 Ų138.784%0.8477%0.766SS**  -164126.3120.78.20000114.1
752M26.5Very low27.8Very low155 Ų155135.4 Ų135.476%0.76476%0.759SS**  46141.7123.2-85.7-77.1-85.700124.4
753L23.7Very low27.6Very low134 Ų134139 Ų13970%0.70276%0.76SS**  trans97.893.2150.1-65.1161.6000122.5
754V25.7Very low27.3Very low104 Ų104139.2 Ų139.263%0.6376%0.761SS**  48.2153.4127.3-130.80000124.2
755H25.4Very low27.3Very low167 Ų167138.6 Ų138.677%0.77377%0.766SS**  trans81.6140.4160.6-59.9-58.4000117
756S28.4Very low26.9Very low89 Ų89135.1 Ų135.162%0.62276%0.757SS**  cis-165.3164.1-10.5-102.30000110.2
757S27.2Very low26.7Very low124 Ų124135.6 Ų135.687%0.86776%0.761SS**  trans58.6147.8160.448.40000119.6
758G26.6Very low26.6Very low67 Ų67130.7 Ų130.769%0.69175%0.747SS**  cis149.9160.7-7.300000113.6
759E25.6Very low26.5Very low191 Ų191137.4 Ų137.489%0.89376%0.759SS**  trans77.7157.4166.8-64.7165.8-145.700117.5
760D25.1Very low26.3Very low156 Ų156139.3 Ų139.383%0.83476%0.763SS**  trans-136.8-171.3-147.2-73.2-81000112.4
761E27.3Very low26.6Very low171 Ų171141.5 Ų141.580%0.79977%0.767SS**  trans87.2113156.1-57.1-157.3152.200120.8
762E25Very low27.6Very low155 Ų155140 Ų14072%0.72476%0.76SS**  69.9144.8124.6-66.7-148.614500123.9
763L23.6Very low27.5Very low149 Ų149139.9 Ų139.978%0.7876%0.761SS**  trans67.3157154.3-66.7156.9000116.3
764E26.2Very low27.6Very low176 Ų176137.9 Ų137.982%0.82276%0.758SS**  cis-131.7161.911.3-71.3179.2134.300112.6
765D31.8Very low27.6Very low159 Ų159141 Ų14185%0.8577%0.766SS**  trans-108.1116.3153.917332000107.3
766D25.2Very low27.5Very low125 Ų125140.8 Ų140.867%0.66877%0.766SS**  trans-145.6146.3168.5-175.441.5000113.1G768D766-G768 PolarHBondContact OD1-N 3.45Å; D766-G768 WeakPolarHBondContact OD2-CA 3.48Å; D766-G768 PolarHBondContact OD2-N 3.46Å; D766-G768 VanDerWaalsContact OD2-N 3.12Å
767S26.6Very low27.3Very low110 Ų110140.4 Ų140.477%0.76977%0.768SS**  trans-130.454.7176.645.40000110.5R769S767-R769 PolarHBondContact O-N 3.26Å
768G26Very low27.2Very low50 Ų50141.2 Ų141.252%0.51577%0.767SS.*  trans-81.6-0.8-155.300000121.5D766D766-G768 PolarHBondContact OD1-N 3.45Å; D766-G768 WeakPolarHBondContact OD2-CA 3.48Å; D766-G768 PolarHBondContact OD2-N 3.46Å; D766-G768 VanDerWaalsContact OD2-N 3.12Å
769R27.6Very low27.2Very low228 Ų228143.3 Ų143.386%0.8677%0.766SS**  trans63.7141.5173.9-48.5170.5173.8-179.5-2.9118.1S767S767-R769 PolarHBondContact O-N 3.26Å
770H25.6Very low27.3Very low192 Ų192141 Ų14189%0.88976%0.759SS**  trans-143.1134.6154.4-98.9-62.6000113.9
771T32.3Very low28.5Very low132 Ų132138.6 Ų138.681%0.8175%0.752SS**  trans-178.1159.9168.850000106.2
772P48.4Very low28.5Very low106 Ų106138 Ų13869%0.68875%0.749SS**  cis-138.3-161.18.337.7-14.9000115.1
773L24.7Very low28.6Very low152 Ų152138.4 Ų138.480%0.79675%0.751SS**  trans82.292.9153.7-70.3166.7000121.8
774S25.9Very low29.4Very low92 Ų92137 Ų13764%0.64375%0.75SS**  50.1130.211764.60000123.2
775Q24.6Very low29.3Very low170 Ų170133.7 Ų133.779%0.79475%0.746SS**  -168.9174.4108-107.5178.5-77.800114.7
776E23.8Very low30.1Very low163 Ų163130.8 Ų130.876%0.76274%0.736SS**  trans-39.1166.5173.7-67.9150.7126.900118
777A24.8Very low30.4Very low81 Ų81132.7 Ų132.767%0.66974%0.741SS**  cis-175.2-161.6-16.300000108.3
778V24.8Very low30.5Very low140 Ų140134.4 Ų134.485%0.84874%0.737SS**  trans75.4132.2161.8173.70000115.7
779V25.4Very low30.5Very low111 Ų111138.9 Ų138.967%0.67375%0.745SS**  cis-167.5142.7-7.8110.30000111
780I29.6Very low30.5Very low144 Ų144135 Ų13574%0.73874%0.736SS**  trans46.2142.7140.1-62.8169.8000119.9
781P50.1Low30.6Very low105 Ų105133.6 Ų133.668%0.68273%0.73SS**  cis-120.1-131.819.522.44.8000112.7
782E25.8Very low30.2Very low159 Ų159138.5 Ų138.574%0.74373%0.734SS**  cis-164.8-166.53-155.623.3-84.400112.6
783Q28.8Very low29.2Very low163 Ų163138.3 Ų138.376%0.76273%0.734SS**  trans-125.8177.8-177.8-91.4-165.827.600112.2
784P38.9Very low29.3Very low119 Ų119138.9 Ų138.977%0.77374%0.737SS**  cis-138.5-170.820.743.9-24.4000117.3
785S25.7Very low29.3Very low106 Ų106139.9 Ų139.974%0.74174%0.74SS**  trans-129.4167.4160.867.80000108.9
786P48.5Very low29.6Very low98 Ų98136.3 Ų136.364%0.63673%0.734SS**  -161.4177.187.743.3-23.2000118.3
787Q29.8Very low30Very low166 Ų166135.6 Ų135.678%0.77674%0.735SS**  trans71.1148.3144.8-79.3165.631.700121
788Q29.3Very low30.3Very low145 Ų145136.3 Ų136.368%0.67873%0.734SS**  cis-172.8171.5-17.3-154.7179.662.600112.7
789Q27Very low30.7Very low145 Ų145134.5 Ų134.568%0.67873%0.728SS**  trans80.5152.6159.8-55.8-177.219.300119.3
790Q26.7Very low31.3Very low147 Ų147135.4 Ų135.469%0.68773%0.733SS**  cis-162.4145.5-20.8-108.7-177.334.500113.6
791H27.3Very low31.5Very low162 Ų162133.5 Ų133.575%0.7573%0.729SS**  trans41.3143.1144.5-73.7-55.4000128
792R24.2Very low30.7Very low235 Ų235134.8 Ų134.889%0.88774%0.735SS**  trans76.3160.6150.2-75.9176.8177.7-170.80.2119.9
793S26.8Very low31.2Very low101 Ų101134.3 Ų134.371%0.70673%0.733SS**  cis173162.4-41.5-90.50000110.8
794L27.9Very low31.6Very low164 Ų164133.1 Ų133.186%0.85973%0.727SS**  trans79144.8177.1-50.6172.2000114.3
795T25.9Very low31.2Very low113 Ų113133.7 Ų133.769%0.69372%0.719SS**  cis-157.6132.8-2.910.30000107.9
796S30.3Very low31.6Very low96 Ų96135.1 Ų135.167%0.67172%0.717SS**  64.4135.39198.10000115.2
797L32.4Very low31.6Very low148 Ų148135.4 Ų135.478%0.77572%0.719SS**  cis-168.614542.6-118.6169.1000114.2
798S31.8Very low31.5Very low95 Ų95137.3 Ų137.366%0.66473%0.725SS**  trans51.6153.9141.660.60000123.4
799S33.2Very low31.4Very low103 Ų103139.5 Ų139.572%0.7274%0.735SS**  cis-161135.93.321.20000109.6
800V37.4Very low32.9Very low129 Ų129138.3 Ų138.378%0.78274%0.74SS**  94.213956.2156.30000112.3
801T33.4Very low34.5Very low104 Ų104136.7 Ų136.764%0.63874%0.742SS**  cis-100.4-131.721.2-41.20000115.2Q803T801-Q803 HydrophobicContact CG2-CG 4.42Å
802T33.8Very low35.9Very low133 Ų133134.4 Ų134.482%0.81674%0.742SS**  cis-136.4-159.323.2-58.60000111.2
803Q36.5Very low36.2Very low148 Ų148127.5 Ų127.569%0.69274%0.735SS**  trans-148.5151.9-164.1-75.5-165.32.300109.3T801T801-Q803 HydrophobicContact CG2-CG 4.42Å
804Q36.8Very low36.5Very low139 Ų139133.4 Ų133.465%0.6574%0.743SS**  cis-171.9170.58.8-112.7-170.783.300108.1
805Q30.7Very low37.6Very low130 Ų130130.9 Ų130.961%0.60774%0.737SS**  cis-163.4143.9-11.5-139.2-154.6110.600110.3
806I33.4Very low37.9Very low136 Ų136133.4 Ų133.470%0.69774%0.744SS**  37.2147.5127.1-72.5176.5000121.7
807P49.7Very low37.9Very low104 Ų104131.9 Ų131.968%0.67574%0.743SS**  cis-150.5-169.7-21.542.8-21.5000119
808K27.2Very low37.9Very low206 Ų206131 Ų13190%0.89675%0.749SS**  trans112.3165.4149.7-78173.6179-175.90122.6
809E27.4Very low38Very low191 Ų191130.8 Ų130.889%0.89375%0.754SS**  trans-132166.8-155.6-95.6-177.7138.300115.5
810P57.7Low37.8Very low121 Ų121134.4 Ų134.479%0.78676%0.764SS**  trans-117.1-93.4-141.822.42.5000125.2
811P60.2Low37.2Very low113 Ų113135 Ų13573%0.73476%0.763SS**  trans-133.3-149.7-141.744.5-23.2000115.5
812P57.1Low37.9Very low114 Ų114134.6 Ų134.674%0.7476%0.762SS**  cis-131.2176-25.741.9-26000116.2
813A30.5Very low37.5Very low89 Ų89133.1 Ų133.174%0.73676%0.757SS**  trans-170.6170.8168.400000118.7
814Y32.7Very low37.2Very low225 Ų225135.3 Ų135.388%0.88276%0.764SS**  trans-148.5-162.1179.1-49.2-65.4000110.9
815P52Low36.7Very low111 Ų111135 Ų13572%0.72177%0.772SS**  cis-140.9-143.7-7.438.3-12.1000115.4
816I32.5Very low36.3Very low167 Ų167134 Ų13486%0.85678%0.779SS**  trans84.1144.1169.6-53.4164.8000117.2
817G29.4Very low36.9Very low63 Ų63132.6 Ų132.665%0.64978%0.779SS**  cis158.6140.3-14.500000117.7
818S33.6Very low35.8Very low129 Ų129135 Ų13590%0.90279%0.786SS**  trans71.7131.5153.4-57.30000125.4
819A32.1Very low35.6Very low91 Ų91130.6 Ų130.675%0.75278%0.776SS**  135.4123.2116.200000121
820L29.3Very low35.5Very low179 Ų179130.3 Ų130.394%0.93777%0.768SS**  trans85.3164.2144.3-68.2168000124
821D24.9Very low33.9Very low143 Ų143132.4 Ų132.477%0.76576%0.764SS**  trans-144.3-174.7-149.9-169.436.6000108.6
822P47.7Very low32.2Very low95 Ų95133.4 Ų133.462%0.61777%0.768SS**  cis-128.8178.9-22.816.19.8000115.9
823S26.3Very low30.9Very low102 Ų102136.3 Ų136.371%0.71377%0.771SS**  137.1124.8115.671.80000121.6
824K29.5Very low31.4Very low193 Ų193137.4 Ų137.484%0.83977%0.771SS**  trans77.5146.8134.4-72.1172.8-179.2175.90125
825T25.9Very low31.1Very low133 Ų133137.2 Ų137.282%0.81677%0.769SS**  trans76.886.8152.236.50000123.3
826S22.1Very low30Very low109 Ų109138.4 Ų138.476%0.76277%0.768SS**  0.1164.5113.2-550000120.8
827P46.5Very low29.7Very low107 Ų107138.4 Ų138.470%0.69576%0.764SS**  cis-151.9-167.2-32.643.1-23.2000116.8
828L26.6Very low29.5Very low155 Ų155144.7 Ų144.781%0.81277%0.773SS**  trans79.9129.6147.6-70.9175000124
829V23.8Very low28.9Very low113 Ų113142.2 Ų142.269%0.68577%0.768SS**  95.2119.7123.4159.80000125
830Y24.1Very low28.7Very low185 Ų185147 Ų14773%0.72578%0.775SS**  trans78.2115.9141-87.3-136.5000125.9
831K25.1Very low29.6Very low164 Ų164143.4 Ų143.471%0.71376%0.762SS**  55.1125.3116.7-78.8-169.9177.6176.40124.3
832V23.8Very low29.7Very low134 Ų134143.3 Ų143.381%0.81276%0.761SS**  97.4135.3128.4169.60000121.7
833H30.4Very low28.8Very low175 Ų175149.5 Ų149.581%0.8177%0.774SS**  trans-50.9166.6171.2-89.4-48.1000116.9
834P41Very low28.9Very low112 Ų112152.8 Ų152.873%0.72778%0.78SS**  -161.5-173.852.945.6-23.1000121.8
835R26.4Very low28.9Very low221 Ų221151.2 Ų151.283%0.83478%0.78SS**  trans98.698.7144-91.6-176.6171.8168.4-2.2124.8
836I28.7Very low29Very low136 Ų136149.4 Ų149.470%0.69777%0.772SS**  32.1121.5124.4-41.1166.1000121
837H25.8Very low29.3Very low168 Ų168151.1 Ų151.178%0.77877%0.773SS**  -179.9153.8113.2-105.4-76.9000118
838K25Very low28.5Very low194 Ų194152.2 Ų152.284%0.84377%0.773SS**  trans-44.7158.6-178.4-54171.7174.9-175.90120.2
839G22.6Very low28.5Very low77 Ų77154.6 Ų154.679%0.79477%0.771SS**  trans150.6120.7136.900000119.7
840E27.2Very low28.7Very low192 Ų192157.2 Ų157.290%0.89778%0.775SS**  trans-95.6-169.1155.1-59.3-172116.400109.3
841P47.6Very low29.6Very low104 Ų104153 Ų15368%0.67577%0.771SS**  cis-149.7-167.75.847.2-26.4000118.8
842L28Very low29.6Very low141 Ų141153.6 Ų153.674%0.73878%0.776SS**  trans72.5137.6151.1-76171.7000122.7
843Y27.6Very low29.8Very low225 Ų225154.2 Ų154.288%0.88277%0.773SS**  -171168.9105.4-105.9-75.2000112.9
844M28.3Very low29.4Very low170 Ų170152.8 Ų152.884%0.83777%0.769SS**  trans-150.9155-168.1-102.9-81.9-152.900113.1
845L30.6Very low29.5Very low161 Ų161152.9 Ų152.984%0.84377%0.769SS**  trans-171.5172.6174.4-110.7154.4000111
846S27.5Very low29.6Very low94 Ų94146.1 Ų146.166%0.65776%0.756SS**  -139.9-176-98.2-690000112.4
847D29.1Very low29.7Very low146 Ų146145.6 Ų145.678%0.78176%0.759SS**  trans86147165.2-64.3-5.1000119.9
848L29.6Very low29.7Very low130 Ų130142 Ų14268%0.68175%0.752SS**  cis-163.8144.1-16.7-107.8167.1000113
849R26.5Very low29.8Very low204 Ų204141.6 Ų141.677%0.7775%0.754SS**  trans68.3128.2151.4-79.8175.9-171.5-154.44125.4
850Q28.8Very low30Very low168 Ų168143.3 Ų143.379%0.78575%0.753SS**  trans69.8147.6140.4-72.1-172.5-77.500121.5
851P41.5Very low29.9Very low97 Ų97141.6 Ų141.663%0.6375%0.75SS**  cis-139.9153.7-28.437.4-20.2000116.6
852E26.5Very low29.1Very low176 Ų176143.5 Ų143.582%0.82276%0.76SS**  trans65144.5149.4-66.7179.1166.100119.9
853I27.5Very low29Very low148 Ų148141.1 Ų141.176%0.75976%0.755SS**  cis-147.71635.1-123.4158000112.4
854M22.8Very low28.8Very low145 Ų145138.6 Ų138.671%0.71475%0.751SS**  trans-70-173.3175.8-83.9179.67000114.2S856M854-S856 VanDerWaalsContact CE-OG 3.22Å; M854-S856 WeakPolarHBondContact CE-OG 3.47Å
855P42.3Very low28.8Very low113 Ų113138.7 Ų138.773%0.73475%0.75SS**  cis-120.8161.24.620.74.9000114.6
856S27.7Very low28.6Very low80 Ų80137.4 Ų137.456%0.55974%0.743SS**  cis70.3145.747.377.40000114.7M854M854-S856 VanDerWaalsContact CE-OG 3.22Å; M854-S856 WeakPolarHBondContact CE-OG 3.47Å
857V30.3Very low28.4Very low125 Ų125138 Ų13876%0.75874%0.739SS**  cis-154.8162.431.9-1460000113.5
858S26.9Very low28.3Very low91 Ų91137 Ų13764%0.63673%0.73SS**  trans58.8120150.152.30000120
859E26.8Very low28.2Very low187 Ų187138.8 Ų138.887%0.87473%0.732SS**  71.8137.475.7-68170.6-16200113.2
860S26.8Very low29.1Very low112 Ų112134.2 Ų134.278%0.78373%0.729SS**  cis-155.1170.742.5-46.30000113.8
861D25.7Very low29Very low156 Ų156134.9 Ų134.983%0.83473%0.729SS**  trans-63.8164.6160-78.8-59.2000113.2
862V29.4Very low28.4Very low144 Ų144140.2 Ų140.287%0.87374%0.737SS**  -174.4152.5120.2152.60000109.9
863S26.5Very low28.4Very low92 Ų92137 Ų13764%0.64373%0.725SS**  trans-87.9157.3-173.855.10000116.3
864E24.7Very low28.5Very low171 Ų171138.7 Ų138.780%0.79973%0.727SS**  trans73.5158.2142.1-83.3-173.4-178.700122.9
865Q27.3Very low28.6Very low173 Ų173137.8 Ų137.881%0.80874%0.735SS**  trans68.595.8159.8-72.7-176.710.100122.7
866D25.6Very low27.8Very low133 Ų133141.8 Ų141.871%0.71174%0.741SS**  81.6128103.8-147.444.1000123.5
867N24.7Very low27.7Very low106 Ų106141.8 Ų141.857%0.56775%0.753SS**  trans48.8123149.9-81.2-41.3000125.3
868H26.1Very low28.1Very low127 Ų127141.5 Ų141.559%0.58875%0.754SS**  87.2105.8124.5-79.717.6000122.4
869K27.8Very low27.9Very low166 Ų166143.8 Ų143.872%0.72276%0.764SS**  72.1167.2128.6-64.7165-178.7158.40117.5
870P45.6Very low28Very low108 Ų108144.8 Ų144.870%0.70177%0.766SS**  cis-139.1175.5-48.340.8-25.9000114.9
871K26.7Very low27.9Very low183 Ų183143.5 Ų143.580%0.79676%0.762SS**  trans69.4115.6151.1-79.6177178.41760121.3
872R28.4Very low27.9Very low208 Ų208144 Ų14479%0.78576%0.764SS**  88.1125.3120.2-82.4-172.6165.9-171.9-1.7123.2
873D27.8Very low28.6Very low108 Ų108142.8 Ų142.858%0.57876%0.759SS**  87.3102.1128.6-58.6-13.8000122.1
874F27.6Very low28.6Very low184 Ų184143.7 Ų143.781%0.80777%0.772SS**  trans46.8119.3132.5-68-83000121.9
875S25.7Very low28.8Very low127 Ų127139.5 Ų139.589%0.88877%0.774SS**  -161.8172.211643.90000112.1
876K25.7Very low29Very low197 Ų197134.8 Ų134.886%0.85777%0.772SS**  trans-114.6135.5-154.4-56.6169.9-178.5173.60114.9
877G25.6Very low29.1Very low79 Ų79138 Ų13881%0.81478%0.783SS**  trans70.9-169.1148.500000117.5
878P38.7Very low29.2Very low119 Ų119137.6 Ų137.677%0.77379%0.789SS**  cis-135.8156.56.240.9-24.1000118.1
879V23.7Very low29.2Very low139 Ų139138.7 Ų138.784%0.84280%0.798SS**  trans67.9125.2138.2172.50000121.6
880F27.3Very low29.1Very low208 Ų208139.7 Ų139.791%0.91281%0.805SS**  trans-83.7162.3161.7-94.1-104.6000112.5
881A24.5Very low28Very low85 Ų85138.4 Ų138.470%0.70281%0.811SS**  trans-147.5160166.100000113.6
882L27.5Very low28Very low166 Ų166137.6 Ų137.687%0.86982%0.815SS**  trans75.2155168.5-51.9179.4000117.6
883P43.1Very low28.4Very low119 Ų119133.4 Ų133.477%0.77382%0.815SS**  cis-138.5160-41.437.6-23000114.7
884A27.4Very low28.8Very low112 Ų112134.1 Ų134.193%0.92683%0.825SS**  trans-160.1157.7153.800000110
885G29Very low29.6Very low82 Ų82131.7 Ų131.785%0.84583%0.828SS**  trans-168.6166.1173.600000113
886G29.6Very low29.7Very low74 Ų74129 Ų12976%0.76382%0.82SS**  trans115.587.5166.900000117.2
887Q28.9Very low30Very low200 Ų200127.2 Ų127.294%0.93582%0.817SS**  trans63.1-173.7152.9-61.1-171.7-5.200118.1
888S25.7Very low30.5Very low98 Ų98131.9 Ų131.969%0.68581%0.814SS**  trans-156.7150.7-137.458.30000115.7
889L27.3Very low30.3Very low151 Ų151136 Ų13679%0.79182%0.82SS**  trans71130.7147.2-78.4166.1000120.8
890Q24.8Very low30.5Very low187 Ų187133 Ų13387%0.87482%0.817SS**  trans78.5101.9132-166171.11100119.5
891G23.1Very low30.6Very low80 Ų80128.9 Ų128.983%0.82582%0.815SS**  trans-177.9131.6166.200000113.4
892L26.1Very low31Very low167 Ų167135.9 Ų135.987%0.87482%0.823SS**PPolyproline II helixtrans-74.3156.8178.6-70.1158.7000112.6P894L892-P894 WeakPolarHBondContact O-CD 3.31Å
893P36.6Very low31.1Very low120 Ų120134.4 Ų134.478%0.77982%0.815SS**PPolyproline II helixtrans-76.4128.5169.430.9-33.3000112.3
894P36.1Very low30.6Very low123 Ų123137 Ų13780%0.79982%0.817SS**PPolyproline II helixtrans-89.6168.817335-33.5000113.8L892L892-P894 WeakPolarHBondContact O-CD 3.31Å
895P44.3Very low30.8Very low132 Ų132137.5 Ų137.586%0.85781%0.808SS**  trans-134.1174.2-153.543.2-28000117.6
896G28.9Very low31.2Very low70 Ų70144.9 Ų144.972%0.72281%0.811SS**  trans164.4150.4157.200000114.4
897M32.4Very low31.5Very low160 Ų160151.5 Ų151.579%0.78882%0.819SS**  cis-152.7129.8-8.6-92.8176.255.600108.4
898K35Very low32.7Very low177 Ų177148.6 Ų148.677%0.7781%0.807SS**  61.4137.6104.2-63.5176.3-177.1167.30115.6
899K35.3Very low34.4Very low205 Ų205145.8 Ų145.889%0.89179%0.793SS**  cis-166.1153.99.5-143-175.8178.9-174.10114
900G26.5Very low35.4Very low76 Ų76144 Ų14478%0.78479%0.79SS**  trans111.3136.915700000115.4
901S30Very low36.7Very low123 Ų123142.5 Ų142.586%0.8679%0.787SS**  cis-152.6162.8-10.952.10000111.8
902R32.9Very low38.4Very low231 Ų231145.3 Ų145.387%0.87278%0.777SS**  trans-25.6149.1174.2-86.9176.7174.8170.5-3.5117.1
903L30.9Very low40.1Very low136 Ų136140.7 Ų140.771%0.71276%0.755SS**  cis-161.5151.539.8-128.1149.8000115.3
904E30.8Very low40.9Very low174 Ų174137.3 Ų137.381%0.81374%0.738SS**  trans69.1162.8153.1-108.5170-156.600125.1
905V33.3Very low41.8Very low122 Ų122141.7 Ų141.774%0.73974%0.738SS**  trans-159.3125.6-144.7162.40000113.6
906R35.7Very low42.4Very low236 Ų236143.5 Ų143.589%0.89174%0.735SS**  trans163.9121.2134.9-101.2155.8175.5-176.2-2.4115.3
907K37.2Very low43.9Very low214 Ų214145.5 Ų145.593%0.9373%0.729SS**  169.9117.2125.4-94.7166.9-177.8176.50111.1
908M54.5Low44.6Very low139 Ų139140.8 Ų140.869%0.68572%0.721SS**  trans-145141.1170.5-176.766.9105.300108.6K912M908-K912 HydrophobicContact CE-CD 4Å; M908-K912 HydrophobicContact SD-CB 4.47Å; M908-K912 HydrophobicContact SD-CD 3.79Å; M908-K912 HydrophobicContact SD-CG 4.41Å
909G61.1Low45.4Very low38 Ų38139.5 Ų139.539%0.39272%0.722SS.*  trans-86.4157.5-166.800000116.2L911 K912G909-L911 PolarHBondContact O-N 2.93Å; G909-K912 PolarHBondContact O-N 3.47Å
910P47.7Very low45.7Very low113 Ų113133.9 Ų133.973%0.73471%0.709SS**Hα-helixtrans-60.9-39-168.5-25.435.1000115.6K912 V913 A914P910-K912 PolarHBondContact O-N 2.96Å; P910-V913 WeakPolarHBondContact O-CB 3.26Å; P910-V913 PolarHBondContact O-N 3.35Å; P910-A914 PolarHBondContact O-N 3.21Å
911L51.9Low46.4Very low156 Ų156137.3 Ų137.382%0.81771%0.714SS**Hα-helixtrans-61.1-31.1-177.5-139.677.2000112.5G909 R915G909-L911 PolarHBondContact O-N 2.93Å; L911-R915 PolarHBondContact O-N 2.86Å
912K58.8Low46.6Very low140 Ų140136.5 Ų136.561%0.60971%0.708SS**Hα-helixtrans-79.5-21.5179.3-151.4154.3174.2179.80112M908 G909 P910M908-K912 HydrophobicContact CE-CD 4Å; M908-K912 HydrophobicContact SD-CB 4.47Å; M908-K912 HydrophobicContact SD-CD 3.79Å; M908-K912 HydrophobicContact SD-CG 4.41Å; G909-K912 PolarHBondContact O-N 3.47Å; P910-K912 PolarHBondContact O-N 2.96Å
913V62.7Low46.5Very low69 Ų69136.5 Ų136.542%0.41871%0.708SS.*Hα-helixtrans-76-45.3168.8-177.10000110.6P910 R915 H916 N917P910-V913 WeakPolarHBondContact O-CB 3.26Å; P910-V913 PolarHBondContact O-N 3.35Å; V913-R915 VanDerWaalsContact C-N 3.32Å; V913-R915 PolarHBondContact O-N 2.94Å; V913-H916 PolarHBondContact O-N 3.05Å; V913-N917 PolarHBondContact O-N 3.07Å; V913-N917 PolarHBondContact O-OD1 3.4Å
914A53Low46.4Very low50 Ų50139.3 Ų139.341%0.41372%0.715SS.*Hα-helixtrans-57.6-42.7179.200000112.8P910 H916 N917P910-A914 PolarHBondContact O-N 3.21Å; A914-H916 VanDerWaalsContact C-N 3.34Å; A914-H916 PolarHBondContact O-N 3.48Å; A914-N917 PolarHBondContact O-N 3.12Å
915R55.6Low46.3Very low214 Ų214137.3 Ų137.381%0.80871%0.714SS**Hα-helixtrans-67.1-31.3175.8-164.6173-171.6157.81.8113.1L911 V913L911-R915 PolarHBondContact O-N 2.86Å; V913-R915 VanDerWaalsContact C-N 3.32Å; V913-R915 PolarHBondContact O-N 2.94Å
916H57.1Low46.1Very low171 Ų171137.3 Ų137.379%0.79271%0.714SS**Hα-helixtrans-78.8-25.7179.3-144-30.6000112.8V913 A914 G918V913-H916 PolarHBondContact O-N 3.05Å; A914-H916 VanDerWaalsContact C-N 3.34Å; A914-H916 PolarHBondContact O-N 3.48Å; H916-G918 VanDerWaalsContact C-N 3.31Å
917N59.2Low45.9Very low112 Ų112135 Ų13560%0.59971%0.713SS**THydrogen-bonded Turntrans-85.86.9177.8-67.20.4000113.7V913 A914 L919V913-N917 PolarHBondContact O-N 3.07Å; V913-N917 PolarHBondContact O-OD1 3.4Å; A914-N917 PolarHBondContact O-N 3.12Å; N917-L919 VanDerWaalsContact C-N 3.33Å; N917-L919 PolarHBondContact O-N 2.86Å
918G47.8Very low45.5Very low60 Ų60131.4 Ų131.462%0.61971%0.705SS**THydrogen-bonded Turntrans75.47.9171.600000116.8H916 S920H916-G918 VanDerWaalsContact C-N 3.31Å; G918-S920 PolarHBondContact O-N 3.41Å
919L51.7Low44.6Very low151 Ų151134.4 Ų134.479%0.79172%0.717SS**  trans-83.838.9-172.4-66.9172.2000114.4N917N917-L919 VanDerWaalsContact C-N 3.33Å; N917-L919 PolarHBondContact O-N 2.86Å
920S41.8Very low43.5Very low87 Ų87137.7 Ų137.761%0.60873%0.729SS**  trans-132.2106.3175.661.20000111G918 S922G918-S920 PolarHBondContact O-N 3.41Å; S920-S922 PolarHBondContact O-N 3.45Å
921V40.4Very low42.9Very low148 Ų148139.6 Ų139.690%0.89773%0.726SS**  trans-76.4120.6-176.7179.30000110.9
922S34.5Very low42.2Very low106 Ų106139.1 Ų139.174%0.74172%0.724SS**  trans-77.7123.9167.7175.80000110.5S920S920-S922 PolarHBondContact O-N 3.45Å
923R31Very low41.6Very low230 Ų230138.9 Ų138.987%0.86873%0.725SS**  trans-90.4105.9168-169.4177.3-168.4173.64.3108.5V925R923-V925 PolarHBondContact O-N 2.85Å
924K29.6Very low41Very low195 Ų195140.5 Ų140.585%0.84874%0.737SS**PPolyproline II helixtrans-57.6129.5166.5-71-173.2176.1-1740109.2
925V27.4Very low41.2Very low133 Ų133147.5 Ų147.581%0.80676%0.761SS**PPolyproline II helixtrans-94.4133.7164.1176.50000107.1R923R923-V925 PolarHBondContact O-N 2.85Å
926V29.1Very low41.7Very low121 Ų121143.4 Ų143.473%0.73375%0.752SS**PPolyproline II helixtrans-76.4143.2172.9174.10000108.1N928V926-N928 PolarHBondContact O-N 3.32Å
927Q31.5Very low42.4Very low187 Ų187138.3 Ų138.387%0.87473%0.734SS**  trans-59.3110.5173.7-69.2165.1-69.300109.8
928N28.3Very low43.6Very low140 Ų140135.5 Ų135.575%0.74972%0.722SS**  trans-90.4136.8147.8-76.4-13.6000106.3V926 V930V926-N928 PolarHBondContact O-N 3.32Å; N928-V930 HydrophobicContact CB-CG2 4.44Å; N928-V930 PolarHBondContact O-N 3.12Å
929E37.4Very low45.3Very low201 Ų201135.5 Ų135.594%0.93971%0.708SS**  trans-72.777.1164.6-67.5-179.3156.800108.7K931E929-K931 PolarHBondContact O-N 2.85Å
930V36.4Very low46.9Very low107 Ų107131.6 Ų131.665%0.64869%0.688SS**  trans-70.3111.9155-179.70000105N928 D932N928-V930 HydrophobicContact CB-CG2 4.44Å; N928-V930 PolarHBondContact O-N 3.12Å; V930-D932 PolarHBondContact O-N 3.1Å
931K36.1Very low49Very low154 Ų154132.1 Ų132.167%0.6768%0.681SS**  trans-57.6109.9162.6169.7174.4174.2-81.20106.3E929 E933E929-K931 PolarHBondContact O-N 2.85Å; K931-E933 IonicContact NZ-OE1 3.76Å; K931-E933 PolarHBondContact NZ-OE1 3.09Å; K931-E933 PolarHBondContact O-N 2.93Å
932D36Very low51.2Low145 Ų145126.3 Ų126.378%0.77564%0.644SS**  trans-60.1106175.1-74-43.4000107.9V930V930-D932 PolarHBondContact O-N 3.1Å
933E46.5Very low53.9Low135 Ų135121.3 Ų121.363%0.63161%0.609SS**PPolyproline II helixtrans-64.8129.2160.8-69.7-61.2123.700106.6K931 E935K931-E933 IonicContact NZ-OE1 3.76Å; K931-E933 PolarHBondContact NZ-OE1 3.09Å; K931-E933 PolarHBondContact O-N 2.93Å; E933-E935 PolarHBondContact O-N 2.83Å
934P50.8Low56.6Low104 Ų104115.5 Ų115.568%0.67559%0.59SS**PPolyproline II helixtrans-59137.3-17624.8-33.9000110Q936P934-Q936 PolarHBondContact O-N 3.46Å
935E57.8Low59.5Low196 Ų196111 Ų11192%0.91657%0.574SS**PPolyproline II helixtrans-53.3118.2176.1-66.6-171.1126.600108.8E933E933-E935 PolarHBondContact O-N 2.83Å
936Q64.6Low62.5Low129 Ų129106.1 Ų106.160%0.60354%0.544SS*.PPolyproline II helixtrans-62.1129.6-172.3-72.7-171-33.900109.5P934 S938 N1188P934-Q936 PolarHBondContact O-N 3.46Å; Q936-S938 PolarHBondContact O-N 3.39Å; Q936-N1188 PolarHBondContact OE1-ND2 3Å
937P73.3Confident65.5Low64 Ų64102.3 Ų102.342%0.41652%0.518SS..PPolyproline II helixtrans-59131.1-176.823.7-33.6000109.7E941 K942P937-E941 HydrophobicContact CB-CB 4Å; P937-K942 HydrophobicContact CB-CG 4.35Å; P937-K942 HydrophobicContact CG-CG 4.24Å; P937-K942 WeakPolarHBondContact O-CE 3.36Å
938S83.6Confident68.3Low52 Ų5298.5 Ų98.536%0.36450%0.5SS..PPolyproline II helixtrans-58.1159.4176.8640000110.7Q936 D940 E941 K942Q936-S938 PolarHBondContact O-N 3.39Å; S938-D940 PolarHBondContact O-N 3.13Å; S938-D940 VanDerWaalsContact O-N 3.08Å; S938-E941 VanDerWaalsContact CB-OE2 3.24Å; S938-E941 WeakPolarHBondContact CB-OE2 3.42Å; S938-E941 PolarHBondContact N-OE2 2.79Å; S938-E941 PolarHBondContact O-N 2.81Å; S938-E941 VanDerWaalsContact OG-CD 3.3Å; S938-E941 WeakPolarHBondContact OG-CG 3.35Å; S938-E941 PolarHBondContact OG-N 3.01Å; S938-E941 PolarHBondContact OG-OE2 3.39Å; S938-K942 WeakPolarHBondContact O-CG 3.45Å; S938-K942 PolarHBondContact O-N 2.96Å
939N83.8Confident71.2Confident60 Ų6094 Ų9432%0.32147%0.474SS..Hα-helixtrans-59.2-22.7173.9-72.3-8.7000112.1K942 C943 L1225N939-K942 PolarHBondContact OD1-NZ 3.49Å; N939-C943 WeakPolarHBondContact O-CB 3.36Å; N939-C943 PolarHBondContact O-N 2.78Å; N939-L1225 HydrophobicContact CB-CD2 4.12Å
940D84.2Confident73.6Confident69 Ų6986.2 Ų86.237%0.36944%0.441SS..Hα-helixtrans-70.4-41.7171-83.61.4000113.6S938 K944 R1229S938-D940 PolarHBondContact O-N 3.13Å; S938-D940 VanDerWaalsContact O-N 3.08Å; D940-K944 WeakPolarHBondContact O-CB 3.35Å; D940-K944 WeakPolarHBondContact O-CD 3.45Å; D940-K944 VanDerWaalsContact O-CG 3.23Å; D940-K944 WeakPolarHBondContact O-CG 3.33Å; D940-K944 PolarHBondContact O-N 2.76Å; D940-R1229 IonicContact OD1-CZ 3.01Å; D940-R1229 VanDerWaalsContact OD1-CZ 3.23Å; D940-R1229 IonicContact OD1-NE 3.22Å; D940-R1229 PolarHBondContact OD1-NE 2.63Å; D940-R1229 IonicContact OD1-NH2 2.64Å; D940-R1229 PolarHBondContact OD1-NH2 3.46Å
941E87Confident76.1Confident99 Ų9988.6 Ų88.646%0.46345%0.445SS..Hα-helixtrans-72-43176.3-71.7152.3141.500110.9P937 S938 C943 K944 L945P937-E941 HydrophobicContact CB-CB 4Å; S938-E941 VanDerWaalsContact CB-OE2 3.24Å; S938-E941 WeakPolarHBondContact CB-OE2 3.42Å; S938-E941 PolarHBondContact N-OE2 2.79Å; S938-E941 PolarHBondContact O-N 2.81Å; S938-E941 VanDerWaalsContact OG-CD 3.3Å; S938-E941 WeakPolarHBondContact OG-CG 3.35Å; S938-E941 PolarHBondContact OG-N 3.01Å; S938-E941 PolarHBondContact OG-OE2 3.39Å; E941-C943 VanDerWaalsContact C-N 3.31Å; E941-C943 PolarHBondContact O-N 2.94Å; E941-K944 PolarHBondContact O-N 2.72Å; E941-L945 WeakPolarHBondContact O-CB 3.37Å; E941-L945 WeakPolarHBondContact O-CG 3.46Å; E941-L945 PolarHBondContact O-N 3.05Å
942K86.8Confident78.5Confident26 Ų2687 Ų8711%0.11344%0.441CS..Hα-helixtrans-56.1-45171.2-64.7177.5-169.7165.30111.8P937 S938 N939 L945 L946 L1185 N1188 L1225P937-K942 HydrophobicContact CB-CG 4.35Å; P937-K942 HydrophobicContact CG-CG 4.24Å; P937-K942 WeakPolarHBondContact O-CE 3.36Å; S938-K942 WeakPolarHBondContact O-CG 3.45Å; S938-K942 PolarHBondContact O-N 2.96Å; N939-K942 PolarHBondContact OD1-NZ 3.49Å; K942-L945 PolarHBondContact O-N 3.11Å; K942-L946 WeakPolarHBondContact O-CG 3.43Å; K942-L946 PolarHBondContact O-N 3.36Å; K942-L1185 HydrophobicContact CD-CD2 4.11Å; K942-N1188 PolarHBondContact NZ-OD1 3.35Å; K942-L1225 HydrophobicContact CB-CD1 3.88Å
943C89.8Confident80.5Confident0 Ų082.7 Ų82.70%043%0.43CS..Hα-helixtrans-62.6-48.9178.3-179.30000111.1N939 E941 L945 L946 E947 L1225 R1229N939-C943 WeakPolarHBondContact O-CB 3.36Å; N939-C943 PolarHBondContact O-N 2.78Å; E941-C943 VanDerWaalsContact C-N 3.31Å; E941-C943 PolarHBondContact O-N 2.94Å; C943-L945 VanDerWaalsContact C-N 3.34Å; C943-L945 PolarHBondContact O-N 3.33Å; C943-L946 PolarHBondContact O-N 3.05Å; C943-E947 WeakPolarHBondContact O-CB 3.45Å; C943-E947 VanDerWaalsContact O-CG 3.29Å; C943-E947 WeakPolarHBondContact O-CG 3.39Å; C943-E947 PolarHBondContact O-N 3.35Å; C943-E947 VanDerWaalsContact SG-CD 3.59Å; C943-L1225 HydrophobicContact CB-CB 4.06Å; C943-L1225 HydrophobicContact CB-CD1 4.16Å; C943-R1229 PolarHBondContact SG-NH2 2.78Å
944K89.2Confident82.4Confident108 Ų10880.1 Ų80.147%0.4742%0.419SS..Hα-helixtrans-61.5-38.5176.5-73.3165.1-174.91670113D940 E941 E947 Q948D940-K944 WeakPolarHBondContact O-CB 3.35Å; D940-K944 WeakPolarHBondContact O-CD 3.45Å; D940-K944 VanDerWaalsContact O-CG 3.23Å; D940-K944 WeakPolarHBondContact O-CG 3.33Å; D940-K944 PolarHBondContact O-N 2.76Å; E941-K944 PolarHBondContact O-N 2.72Å; K944-E947 PolarHBondContact O-N 3.4Å; K944-Q948 VanDerWaalsContact O-CB 3.3Å; K944-Q948 WeakPolarHBondContact O-CB 3.38Å; K944-Q948 WeakPolarHBondContact O-CG 3.4Å; K944-Q948 PolarHBondContact O-N 2.95Å
945L90Very high84.4Confident101 Ų10175.6 Ų75.653%0.52939%0.388SS..Hα-helixtrans-65-41.9176.8-74167000111.4E941 K942 C943 H949E941-L945 WeakPolarHBondContact O-CB 3.37Å; E941-L945 WeakPolarHBondContact O-CG 3.46Å; E941-L945 PolarHBondContact O-N 3.05Å; K942-L945 PolarHBondContact O-N 3.11Å; C943-L945 VanDerWaalsContact C-N 3.34Å; C943-L945 PolarHBondContact O-N 3.33Å; L945-H949 WeakPolarHBondContact O-CB 3.48Å; L945-H949 PolarHBondContact O-N 3.06Å
946L90.5Very high86Confident31 Ų3170.2 Ų70.216%0.16237%0.366CS..Hα-helixtrans-68.3-40.5174.1-67.8176.2000112.1K942 C943 H949 V950 Y1218 L1221 I1222 L1225K942-L946 WeakPolarHBondContact O-CG 3.43Å; K942-L946 PolarHBondContact O-N 3.36Å; C943-L946 PolarHBondContact O-N 3.05Å; L946-H949 PolarHBondContact O-N 2.86Å; L946-V950 VanDerWaalsContact O-CG2 3.3Å; L946-V950 WeakPolarHBondContact O-CG2 3.35Å; L946-V950 PolarHBondContact O-N 3.35Å; L946-Y1218 HydrophobicContact CD2-CD1 3.93Å; L946-Y1218 HydrophobicContact CD2-CE1 3.73Å; L946-L1221 HydrophobicContact CD1-CB 4.08Å; L946-I1222 HydrophobicContact CB-CD1 4.05Å; L946-I1222 HydrophobicContact CB-CG1 3.58Å; L946-I1222 HydrophobicContact CD1-CG1 4.37Å; L946-L1225 HydrophobicContact CD1-CD1 3.89Å
947E91.8Very high87.3Confident41 Ų4170.5 Ų70.519%0.19237%0.365CS..Hα-helixtrans-60.1-49.2174.8-72.5168.515100110.6C943 K944 H949 V950 E951 I1222 R1226C943-E947 WeakPolarHBondContact O-CB 3.45Å; C943-E947 VanDerWaalsContact O-CG 3.29Å; C943-E947 WeakPolarHBondContact O-CG 3.39Å; C943-E947 PolarHBondContact O-N 3.35Å; C943-E947 VanDerWaalsContact SG-CD 3.59Å; K944-E947 PolarHBondContact O-N 3.4Å; E947-H949 PolarHBondContact O-N 3.03Å; E947-V950 PolarHBondContact O-N 3.21Å; E947-E951 WeakPolarHBondContact O-CG 3.32Å; E947-E951 PolarHBondContact O-N 2.58Å; E947-I1222 HydrophobicContact CG-CD1 3.94Å; E947-I1222 HydrophobicContact CG-CG1 4.11Å; E947-I1222 HydrophobicContact CG-CG2 3.73Å; E947-R1226 IonicContact OE1-CZ 3.16Å; E947-R1226 VanDerWaalsContact OE1-CZ 3.31Å; E947-R1226 IonicContact OE1-NE 2.65Å; E947-R1226 PolarHBondContact OE1-NE 3.24Å; E947-R1226 IonicContact OE1-NH2 2.68Å; E947-R1226 PolarHBondContact OE1-NH2 2.74Å
948Q90.6Very high88.3Confident107 Ų10769 Ų6950%0.535%0.352SS..Hα-helixtrans-60.7-40.2175-74.3171.8-6.200112.8K944 V950 E951 M952K944-Q948 VanDerWaalsContact O-CB 3.3Å; K944-Q948 WeakPolarHBondContact O-CB 3.38Å; K944-Q948 WeakPolarHBondContact O-CG 3.4Å; K944-Q948 PolarHBondContact O-N 2.95Å; Q948-V950 VanDerWaalsContact C-N 3.32Å; Q948-V950 PolarHBondContact O-N 3.35Å; Q948-E951 PolarHBondContact O-N 2.77Å; Q948-M952 WeakPolarHBondContact O-CG 3.46Å; Q948-M952 PolarHBondContact O-N 2.79Å
949H88.3Confident88.9Confident44 Ų4467 Ų6720%0.20434%0.337CS..Hα-helixtrans-66.5-33178.3-162.666.7000112.9L945 L946 E947 E958 Y1218L945-H949 WeakPolarHBondContact O-CB 3.48Å; L945-H949 PolarHBondContact O-N 3.06Å; L946-H949 PolarHBondContact O-N 2.86Å; E947-H949 PolarHBondContact O-N 3.03Å; H949-E958 IonicContact CD2-OE2 2.68Å; H949-E958 IonicContact CE1-OE2 2.68Å; H949-E958 IonicContact NE2-OE1 2.99Å; H949-E958 IonicContact NE2-OE2 3.08Å; H949-E958 PolarHBondContact NE2-OE2 2.94Å; H949-Y1218 AromaticContact CD2-CE1 3.63Å; H949-Y1218 AromaticContact CD2-CZ 3.82Å
950V89.3Confident89.3Confident39 Ų3970.6 Ų70.624%0.23635%0.352CS..Hα-helixtrans-68.7-44.8169.9175.80000110.7L946 E947 Q948 G953 L955 Y1218 I1222L946-V950 VanDerWaalsContact O-CG2 3.3Å; L946-V950 WeakPolarHBondContact O-CG2 3.35Å; L946-V950 PolarHBondContact O-N 3.35Å; E947-V950 PolarHBondContact O-N 3.21Å; Q948-V950 VanDerWaalsContact C-N 3.32Å; Q948-V950 PolarHBondContact O-N 3.35Å; V950-G953 PolarHBondContact O-N 2.78Å; V950-L955 HydrophobicContact CB-CD1 4.39Å; V950-L955 HydrophobicContact CG1-CD1 4.41Å; V950-L955 HydrophobicContact CG2-CD1 4.05Å; V950-Y1218 HydrophobicContact CG2-CD1 4.16Å; V950-Y1218 HydrophobicContact CG2-CG 4.3Å; V950-I1222 HydrophobicContact CG2-CD1 3.88Å
951E88.2Confident89.8Confident157 Ų15771.3 Ų71.373%0.73436%0.363SS*.Hα-helixtrans-67.4-32.7-178.5-73.8175.8-179.600114E947 Q948 G953E947-E951 WeakPolarHBondContact O-CG 3.32Å; E947-E951 PolarHBondContact O-N 2.58Å; Q948-E951 PolarHBondContact O-N 2.77Å; E951-G953 PolarHBondContact O-N 3.07Å
952M85.5Confident90.2Very high121 Ų12167 Ų6760%0.59634%0.343SS*.THydrogen-bonded Turntrans-65-14.1174.7-74.5-167.7-58.900113.6Q948 E954Q948-M952 WeakPolarHBondContact O-CG 3.46Å; Q948-M952 PolarHBondContact O-N 2.79Å; M952-E954 HydrophobicContact CB-CG 4.4Å; M952-E954 PolarHBondContact O-N 2.8Å
953G79.6Confident90.5Very high53 Ų5369 Ų6955%0.54636%0.358SS..  trans73.11.5176.500000115.6V950 E951 L955V950-G953 PolarHBondContact O-N 2.78Å; E951-G953 PolarHBondContact O-N 3.07Å; G953-L955 PolarHBondContact O-N 3.28Å
954E86.7Confident90.6Very high82 Ų8274.5 Ų74.538%0.38338%0.383SS..THydrogen-bonded Turntrans-71.4-9.4-176-63.9-142102.400114.3M952 L956 K957 E958M952-E954 HydrophobicContact CB-CG 4.4Å; M952-E954 PolarHBondContact O-N 2.8Å; E954-L956 PolarHBondContact O-N 2.99Å; E954-L956 VanDerWaalsContact O-N 3.07Å; E954-K957 WeakPolarHBondContact O-CB 3.36Å; E954-K957 PolarHBondContact O-N 3.29Å; E954-K957 IonicContact OE1-NZ 3.67Å; E954-K957 PolarHBondContact OE1-NZ 3.34Å; E954-K957 IonicContact OE2-NZ 2.62Å; E954-E958 PolarHBondContact O-N 3.39Å
955L92.1Very high90.7Very high8 Ų877.9 Ų77.94%0.04239%0.392CS..Hα-helixtrans-53.7-30.6-178.4-64.5-177.1000114.6V950 G953 F959 L1211 T1215 Y1218V950-L955 HydrophobicContact CB-CD1 4.39Å; V950-L955 HydrophobicContact CG1-CD1 4.41Å; V950-L955 HydrophobicContact CG2-CD1 4.05Å; G953-L955 PolarHBondContact O-N 3.28Å; L955-F959 WeakPolarHBondContact O-CB 3.36Å; L955-F959 PolarHBondContact O-N 3.02Å; L955-L1211 HydrophobicContact CB-CD1 4.26Å; L955-T1215 HydrophobicContact CD1-CG2 4.06Å; L955-Y1218 HydrophobicContact CD1-CD2 4.48Å; L955-Y1218 HydrophobicContact CD2-CD1 4.31Å; L955-Y1218 HydrophobicContact CD2-CD2 3.91Å; L955-Y1218 HydrophobicContact CD2-CE1 4.09Å; L955-Y1218 HydrophobicContact CD2-CE2 3.67Å; L955-Y1218 HydrophobicContact CD2-CG 4.23Å
956L91.8Very high90.6Very high84 Ų8474.9 Ų74.944%0.4438%0.378SS..Hα-helixtrans-63.9-53.3174.4171.761.3000110.9E954 E958 F959 E960 L1211E954-L956 PolarHBondContact O-N 2.99Å; E954-L956 VanDerWaalsContact O-N 3.07Å; L956-E958 VanDerWaalsContact C-N 3.3Å; L956-E958 PolarHBondContact O-N 3.39Å; L956-F959 PolarHBondContact O-N 3.37Å; L956-E960 HydrophobicContact CD1-CG 4.04Å; L956-E960 WeakPolarHBondContact O-CB 3.47Å; L956-E960 WeakPolarHBondContact O-CG 3.39Å; L956-E960 PolarHBondContact O-N 2.82Å; L956-L1211 HydrophobicContact CB-CD2 3.92Å; L956-L1211 HydrophobicContact CD1-CD2 3.97Å; L956-L1211 HydrophobicContact CG-CD2 4.47Å
957K91.8Very high90Very high135 Ų13579.1 Ų79.159%0.58741%0.407SS*.Hα-helixtrans-61.2-39.3178.8166.9-174.1160.9-1610111.1E954 S961E954-K957 WeakPolarHBondContact O-CB 3.36Å; E954-K957 PolarHBondContact O-N 3.29Å; E954-K957 IonicContact OE1-NZ 3.67Å; E954-K957 PolarHBondContact OE1-NZ 3.34Å; E954-K957 IonicContact OE2-NZ 2.62Å; K957-S961 WeakPolarHBondContact O-CB 3.24Å; K957-S961 PolarHBondContact O-N 2.94Å
958E94.2Very high89Confident31 Ų3180.8 Ų80.815%0.14544%0.435CS..Hα-helixtrans-63.7-52.5173.6-170.4-173.683.900111.7H949 E954 L956 E960 S961 V962 P1194 Y1214 Y1218H949-E958 IonicContact CD2-OE2 2.68Å; H949-E958 IonicContact CE1-OE2 2.68Å; H949-E958 IonicContact NE2-OE1 2.99Å; H949-E958 IonicContact NE2-OE2 3.08Å; H949-E958 PolarHBondContact NE2-OE2 2.94Å; E954-E958 PolarHBondContact O-N 3.39Å; L956-E958 VanDerWaalsContact C-N 3.3Å; L956-E958 PolarHBondContact O-N 3.39Å; E958-E960 VanDerWaalsContact C-N 3.31Å; E958-E960 PolarHBondContact O-N 2.85Å; E958-S961 WeakPolarHBondContact O-CB 3.26Å; E958-S961 PolarHBondContact O-N 3.23Å; E958-S961 VanDerWaalsContact O-N 3.09Å; E958-S961 PolarHBondContact O-OG 2.84Å; E958-V962 PolarHBondContact O-N 2.88Å; E958-P1194 HydrophobicContact CG-CB 3.88Å; E958-P1194 HydrophobicContact CG-CG 3.87Å; E958-Y1214 WeakPolarHBondContact OE1-CE1 3.48Å; E958-Y1214 VanDerWaalsContact OE1-CZ 3.26Å; E958-Y1214 PolarHBondContact OE1-OH 2.96Å; E958-Y1218 PolarHBondContact OE1-OH 3.14Å; E958-Y1218 PolarHBondContact OE2-OH 3.04Å
959F95.6Very high88.7Confident11 Ų1179.3 Ų79.35%0.04843%0.428CS..Hα-helixtrans-60.3-37180179-105.7000113.6L955 L956 L1197 V1208 L1211 Y1214L955-F959 WeakPolarHBondContact O-CB 3.36Å; L955-F959 PolarHBondContact O-N 3.02Å; L956-F959 PolarHBondContact O-N 3.37Å; F959-L1197 HydrophobicContact CD2-CD2 4.24Å; F959-L1197 HydrophobicContact CE2-CD2 4.44Å; F959-V1208 HydrophobicContact CE2-CB 4.45Å; F959-V1208 HydrophobicContact CE2-CG1 3.97Å; F959-V1208 WeakPolarHBondContact CE2-O 3.39Å; F959-V1208 WeakPolarHBondContact CZ-O 3.35Å; F959-L1211 HydrophobicContact CB-CD1 4.11Å; F959-L1211 HydrophobicContact CD1-CB 4.46Å; F959-L1211 HydrophobicContact CG-CD1 4.43Å; F959-Y1214 HydrophobicContact CB-CD1 3.74Å; F959-Y1214 HydrophobicContact CB-CE1 4.05Å; F959-Y1214 HydrophobicContact CB-CG 4.29Å; F959-Y1214 AromaticContact CD2-CD1 3.84Å; F959-Y1214 HydrophobicContact CD2-CD1 3.84Å; F959-Y1214 AromaticContact CD2-CD2 3.84Å; F959-Y1214 HydrophobicContact CD2-CD2 3.84Å; F959-Y1214 HydrophobicContact CD2-CE1 4.47Å; F959-Y1214 HydrophobicContact CD2-CE2 4.47Å; F959-Y1214 AromaticContact CD2-CG 3.48Å; F959-Y1214 HydrophobicContact CD2-CG 3.48Å; F959-Y1214 VanDerWaalsContact CD2-CG 3.48Å; F959-Y1214 HydrophobicContact CE2-CD2 4.39Å; F959-Y1214 HydrophobicContact CE2-CG 4.19Å; F959-Y1214 HydrophobicContact CG-CD1 4.17Å; F959-Y1214 HydrophobicContact CG-CG 4.23Å
960E93.2Very high88.6Confident135 Ų13581.5 Ų81.563%0.63144%0.442SS*.Hα-helixtrans-74.9-27.8175.9-71-172149.500113.1L956 E958 V962L956-E960 HydrophobicContact CD1-CG 4.04Å; L956-E960 WeakPolarHBondContact O-CB 3.47Å; L956-E960 WeakPolarHBondContact O-CG 3.39Å; L956-E960 PolarHBondContact O-N 2.82Å; E958-E960 VanDerWaalsContact C-N 3.31Å; E958-E960 PolarHBondContact O-N 2.85Å; E960-V962 VanDerWaalsContact C-N 3.33Å; E960-V962 PolarHBondContact O-N 2.83Å
961S94.4Very high88.8Confident85 Ų8580.3 Ų80.359%0.59444%0.435SS*.Hα-helixtrans-68.9-29176.6770000113.4K957 E958 P963K957-S961 WeakPolarHBondContact O-CB 3.24Å; K957-S961 PolarHBondContact O-N 2.94Å; E958-S961 WeakPolarHBondContact O-CB 3.26Å; E958-S961 PolarHBondContact O-N 3.23Å; E958-S961 VanDerWaalsContact O-N 3.09Å; E958-S961 PolarHBondContact O-OG 2.84Å; S961-P963 WeakPolarHBondContact O-CD 3.04Å
962V95Very high89Confident9 Ų977.1 Ų77.16%0.05542%0.423CS..SBendtrans-75.7118.5179.3-175.70000110E958 E960 K964 P1194 L1197 R1198 R1201E958-V962 PolarHBondContact O-N 2.88Å; E960-V962 VanDerWaalsContact C-N 3.33Å; E960-V962 PolarHBondContact O-N 2.83Å; V962-K964 PolarHBondContact O-N 2.96Å; V962-P1194 HydrophobicContact CG2-CB 3.67Å; V962-L1197 HydrophobicContact CB-CD2 4.41Å; V962-L1197 HydrophobicContact CG1-CD2 4.34Å; V962-L1197 HydrophobicContact CG1-CG 4.15Å; V962-L1197 HydrophobicContact CG2-CD2 4.41Å; V962-R1198 HydrophobicContact CG1-CB 3.95Å; V962-R1201 PolarHBondContact O-NH1 2.93Å
963P93.7Very high89.4Confident67 Ų6772.6 Ų72.644%0.43540%0.402SS..  trans-55.1134-178-27.335.9000112.9S961 R965 R1201S961-P963 WeakPolarHBondContact O-CD 3.04Å; P963-R965 VanDerWaalsContact C-N 3.27Å; P963-R965 PolarHBondContact O-N 2.84Å; P963-R1201 WeakPolarHBondContact O-CD 3.38Å
964K92.4Very high90.1Very high116 Ų11670.1 Ų70.150%0.50438%0.377SS..SBendtrans-71.1-19.7-179.6-76.1-177.4-179.7176.40114V962 L1206V962-K964 PolarHBondContact O-N 2.96Å; K964-L1206 HydrophobicContact CB-CD2 3.94Å; K964-L1206 HydrophobicContact CD-CD2 4.23Å; K964-L1206 HydrophobicContact CG-CD2 4.32Å; K964-L1206 PolarHBondContact O-N 2.9Å
965R90Very high90.5Very high179 Ų17970.2 Ų70.268%0.67538%0.379SS*.SBendtrans-155.1158.3176.664.6-178.7179.9-173.20.7109.4P963 Y991 M1205P963-R965 VanDerWaalsContact C-N 3.27Å; P963-R965 PolarHBondContact O-N 2.84Å; R965-Y991 WeakPolarHBondContact CA-OH 3.35Å; R965-M1205 HydrophobicContact CB-CB 4.12Å
966V88.3Confident90.6Very high37 Ų3773.4 Ų73.422%0.22440%0.396CS..  trans-70.9132.1170.7-1740000109.8G968 E969 Y991 D1202V966-G968 PolarHBondContact O-N 2.68Å; V966-E969 HydrophobicContact CB-CB 3.99Å; V966-E969 HydrophobicContact CB-CG 3.73Å; V966-E969 HydrophobicContact CG1-CB 4.33Å; V966-E969 HydrophobicContact CG1-CG 3.76Å; V966-E969 HydrophobicContact CG2-CG 4.16Å; V966-Y991 HydrophobicContact CG2-CE2 4.29Å; V966-Y991 PolarHBondContact N-OH 3.38Å; V966-Y991 VanDerWaalsContact N-OH 3.07Å; V966-D1202 HydrophobicContact CG2-CB 4.24Å
967P77.6Confident90.7Very high120 Ų12073.5 Ų73.578%0.77941%0.409SS*.THydrogen-bonded Turntrans-72.1112.7168.8-14.430.1000110.4
968G71.8Confident90.8Very high76 Ų7671.8 Ų71.878%0.78440%0.403SS*.THydrogen-bonded Turntrans97.73.617500000116.2V966V966-G968 PolarHBondContact O-N 2.68Å
969E82.6Confident90.8Very high76 Ų7670.3 Ų70.336%0.35540%0.396SS..  trans-78132.4159.9-81.7-70.3144.800110V966 Y991 S993V966-E969 HydrophobicContact CB-CB 3.99Å; V966-E969 HydrophobicContact CB-CG 3.73Å; V966-E969 HydrophobicContact CG1-CB 4.33Å; V966-E969 HydrophobicContact CG1-CG 3.76Å; V966-E969 HydrophobicContact CG2-CG 4.16Å; E969-Y991 HydrophobicContact CB-CD1 3.58Å; E969-Y991 HydrophobicContact CB-CE1 3.9Å; E969-Y991 HydrophobicContact CB-CG 3.95Å; E969-Y991 HydrophobicContact CG-CD1 4.46Å; E969-Y991 HydrophobicContact CG-CG 4.41Å; E969-S993 VanDerWaalsContact OE2-CB 3.26Å; E969-S993 WeakPolarHBondContact OE2-CB 3.25Å; E969-S993 PolarHBondContact OE2-OG 2.89Å
970D87.9Confident90.7Very high91 Ų9177.5 Ų77.549%0.48742%0.423SS..  trans-92.9156.4-176.6-91.2-9.4000112.6N972 Y991 D992D970-N972 VanDerWaalsContact CB-ND2 3.3Å; D970-N972 WeakPolarHBondContact CB-ND2 3.35Å; D970-N972 VanDerWaalsContact CG-ND2 3.3Å; D970-N972 PolarHBondContact OD2-ND2 3.38Å; D970-Y991 CarbonylContact O-C 3.58Å; D970-Y991 WeakPolarHBondContact O-CA 3.25Å; D970-D992 PolarHBondContact O-N 3.2Å
971C92.5Very high90.8Very high14 Ų1475.3 Ų75.310%0.09542%0.415CS..  trans-128.332.7174.5-64.10000111T973 A974 L975 L989 P990 M1205C971-T973 VanDerWaalsContact C-N 3.32Å; C971-T973 PolarHBondContact O-N 3.15Å; C971-A974 HydrophobicContact CB-CB 4.32Å; C971-A974 WeakPolarHBondContact O-CB 3.49Å; C971-A974 PolarHBondContact O-N 3.46Å; C971-L975 HydrophobicContact CB-CD1 4.27Å; C971-L975 HydrophobicContact CB-CG 4.42Å; C971-L975 VanDerWaalsContact O-CG 3.3Å; C971-L975 WeakPolarHBondContact O-CG 3.37Å; C971-L975 PolarHBondContact O-N 3.1Å; C971-L989 HydrophobicContact CB-CB 4.2Å; C971-L989 HydrophobicContact CB-CD1 3.99Å; C971-P990 PolarHBondContact SG-O 3.31Å; C971-M1205 VanDerWaalsContact SG-CE 3.5Å
972N93.5Very high90.9Very high89 Ų8972 Ų7248%0.47639%0.391SS..Hα-helixtrans-54.6-45.9-171.3-64.1-57.7000111.8D970 A974 L975 L976 D992D970-N972 VanDerWaalsContact CB-ND2 3.3Å; D970-N972 WeakPolarHBondContact CB-ND2 3.35Å; D970-N972 VanDerWaalsContact CG-ND2 3.3Å; D970-N972 PolarHBondContact OD2-ND2 3.38Å; N972-A974 VanDerWaalsContact C-N 3.31Å; N972-A974 PolarHBondContact O-N 3.2Å; N972-L975 PolarHBondContact O-N 3.33Å; N972-L976 PolarHBondContact O-N 2.96Å; N972-D992 WeakPolarHBondContact CA-OD2 3.4Å; N972-D992 VanDerWaalsContact CB-OD2 3.25Å; N972-D992 WeakPolarHBondContact CB-OD2 3.49Å; N972-D992 PolarHBondContact N-OD2 2.91Å; N972-D992 PolarHBondContact ND2-OD2 2.63Å
973T93.8Very high91Very high26 Ų2672.5 Ų72.516%0.1639%0.393CS..Hα-helixtrans-61.8-40.7179.1-43.80000111.3C971 L975 L976 N979 D992 Y1008C971-T973 VanDerWaalsContact C-N 3.32Å; C971-T973 PolarHBondContact O-N 3.15Å; T973-L975 VanDerWaalsContact C-N 3.29Å; T973-L975 PolarHBondContact O-N 3.47Å; T973-L976 HydrophobicContact CG2-CD1 4.37Å; T973-N979 PolarHBondContact O-ND2 2.86Å; T973-D992 WeakPolarHBondContact CB-OD1 3.44Å; T973-D992 PolarHBondContact N-OD1 2.78Å; T973-D992 PolarHBondContact OG1-OD1 3.16Å; T973-Y1008 HydrophobicContact CG2-CD2 4.07Å
974A94.2Very high91.1Very high1 Ų171.3 Ų71.31%0.00838%0.38CS..Hα-helixtrans-71.7-22.7-179.700000113.5C971 N972 N983 L989 P990 Y1008C971-A974 HydrophobicContact CB-CB 4.32Å; C971-A974 WeakPolarHBondContact O-CB 3.49Å; C971-A974 PolarHBondContact O-N 3.46Å; N972-A974 VanDerWaalsContact C-N 3.31Å; N972-A974 PolarHBondContact O-N 3.2Å; A974-N983 PolarHBondContact O-ND2 3.01Å; A974-N983 VanDerWaalsContact O-ND2 3.16Å; A974-L989 HydrophobicContact CB-CB 3.97Å; A974-L989 HydrophobicContact CB-CD1 4.08Å; A974-L989 HydrophobicContact CB-CD2 4.19Å; A974-L989 HydrophobicContact CB-CG 4.3Å; A974-P990 HydrophobicContact CB-CG 4.35Å; A974-Y1008 HydrophobicContact CB-CE2 3.66Å; A974-Y1008 VanDerWaalsContact CB-OH 3.31Å; A974-Y1008 WeakPolarHBondContact CB-OH 3.31Å
975L94.3Very high91.2Very high84 Ų8469.6 Ų69.644%0.4437%0.372SS..Hα-helixtrans-90.7-12.4-178.8-69.9168.9000114.1C971 N972 T973 R980 L989C971-L975 HydrophobicContact CB-CD1 4.27Å; C971-L975 HydrophobicContact CB-CG 4.42Å; C971-L975 VanDerWaalsContact O-CG 3.3Å; C971-L975 WeakPolarHBondContact O-CG 3.37Å; C971-L975 PolarHBondContact O-N 3.1Å; N972-L975 PolarHBondContact O-N 3.33Å; T973-L975 VanDerWaalsContact C-N 3.29Å; T973-L975 PolarHBondContact O-N 3.47Å; L975-R980 PolarHBondContact O-NE 3.36Å; L975-R980 PolarHBondContact O-NH2 3.17Å; L975-R980 VanDerWaalsContact O-NH2 3.14Å; L975-L989 HydrophobicContact CD2-CD1 3.65Å; L975-L989 HydrophobicContact CG-CD1 3.93Å
976L94.8Very high91.4Very high76 Ų7665.3 Ų65.340%0.39838%0.375SS..SBendtrans-53.1139.1173.9-67.2177.7000111.1N972 T973 E978 N979 R980 T1006N972-L976 PolarHBondContact O-N 2.96Å; T973-L976 HydrophobicContact CG2-CD1 4.37Å; L976-E978 HydrophobicContact CB-CG 4.39Å; L976-E978 PolarHBondContact O-N 3.33Å; L976-E978 VanDerWaalsContact O-N 3.16Å; L976-N979 HydrophobicContact CB-CB 4.43Å; L976-N979 PolarHBondContact O-N 2.9Å; L976-R980 PolarHBondContact O-N 3.07Å; L976-T1006 HydrophobicContact CD1-CG2 4Å
977A93.1Very high91.5Very high86 Ų8668.5 Ų68.571%0.71139%0.391SS*.G310 helixtrans-56.2-37.2-17400000113.4N979A977-N979 PolarHBondContact O-N 2.89Å
978E93.2Very high92.4Very high99 Ų9963 Ų6346%0.46336%0.355SS..G310 helixtrans-77.63.6178.369.6-169.4142.500115.3L976 K982 T1006L976-E978 HydrophobicContact CB-CG 4.39Å; L976-E978 PolarHBondContact O-N 3.33Å; L976-E978 VanDerWaalsContact O-N 3.16Å; E978-K982 VanDerWaalsContact O-CE 3.23Å; E978-K982 WeakPolarHBondContact O-CE 3.43Å; E978-K982 PolarHBondContact O-NZ 2.9Å; E978-T1006 VanDerWaalsContact CD-CG2 3.48Å; E978-T1006 HydrophobicContact CG-CG2 3.84Å; E978-T1006 VanDerWaalsContact OE1-CG2 3.26Å; E978-T1006 WeakPolarHBondContact OE1-CG2 3.42Å
979N95.7Very high93.6Very high0 Ų059.9 Ų59.90%032%0.32CS..G310 helixtrans-122.6-9.2178.3-69.5-23000113.2T973 L976 A977 D981 K982 N983 T1006 Y1008T973-N979 PolarHBondContact O-ND2 2.86Å; L976-N979 HydrophobicContact CB-CB 4.43Å; L976-N979 PolarHBondContact O-N 2.9Å; A977-N979 PolarHBondContact O-N 2.89Å; N979-D981 PolarHBondContact O-N 3.42Å; N979-K982 WeakPolarHBondContact O-CB 3.27Å; N979-K982 PolarHBondContact O-N 3.14Å; N979-K982 VanDerWaalsContact O-N 3.17Å; N979-K982 PolarHBondContact OD1-NZ 3.44Å; N979-N983 PolarHBondContact O-ND2 3.1Å; N979-T1006 PolarHBondContact ND2-OG1 2.69Å; N979-T1006 PolarHBondContact OD1-OG1 3Å; N979-Y1008 HydrophobicContact CB-CD1 3.61Å; N979-Y1008 HydrophobicContact CB-CE1 4.03Å; N979-Y1008 HydrophobicContact CB-CG 4.02Å; N979-Y1008 WeakPolarHBondContact ND2-CB 3.32Å; N979-Y1008 WeakPolarHBondContact OD1-CB 3.45Å
980R93.6Very high94.3Very high162 Ų16256.3 Ų56.361%0.61130%0.304SS*.G310 helixtrans-65.4-38.8-176.3-71.4177.9-176.4-159-3.5112.8L975 L976 K982 N983L975-R980 PolarHBondContact O-NE 3.36Å; L975-R980 PolarHBondContact O-NH2 3.17Å; L975-R980 VanDerWaalsContact O-NH2 3.14Å; L976-R980 PolarHBondContact O-N 3.07Å; R980-K982 PolarHBondContact O-N 3.27Å; R980-N983 PolarHBondContact O-N 3.26Å
981D94.7Very high94.8Very high88 Ų8852.1 Ų52.147%0.47128%0.281SS..G310 helixtrans-67.8-21.9175.567.4-48.7000113.2N979 N983 H1034N979-D981 PolarHBondContact O-N 3.42Å; D981-N983 VanDerWaalsContact C-N 3.28Å; D981-H1034 PolarHBondContact O-CE1 2.94Å; D981-H1034 PolarHBondContact O-NE2 3.12Å; D981-H1034 IonicContact OD2-CD2 2.64Å; D981-H1034 IonicContact OD2-NE2 3.9Å
982K95.9Very high94.9Very high17 Ų1753.3 Ų53.37%0.07429%0.287CS..G310 helixtrans-80.6-7.4175.4-57.4170-167.4156.80112.4E978 N979 R980 N1004 Y1008 Q1029 T1035E978-K982 VanDerWaalsContact O-CE 3.23Å; E978-K982 WeakPolarHBondContact O-CE 3.43Å; E978-K982 PolarHBondContact O-NZ 2.9Å; N979-K982 WeakPolarHBondContact O-CB 3.27Å; N979-K982 PolarHBondContact O-N 3.14Å; N979-K982 VanDerWaalsContact O-N 3.17Å; N979-K982 PolarHBondContact OD1-NZ 3.44Å; R980-K982 PolarHBondContact O-N 3.27Å; K982-N1004 PolarHBondContact NZ-OD1 3.04Å; K982-Y1008 HydrophobicContact CB-CD1 4.15Å; K982-Y1008 HydrophobicContact CB-CE1 4.21Å; K982-Y1008 HydrophobicContact CD-CD1 4.05Å; K982-Q1029 PolarHBondContact O-NE2 3.07Å; K982-T1035 HydrophobicContact CB-CG2 3.99Å; K982-T1035 HydrophobicContact CG-CG2 4.18Å
983N96.9Very high94.9Very high19 Ų1953.1 Ų53.110%0.10229%0.292CS..  trans-98.1125.4177.2-61.4-45.7000110.8A974 N979 R980 D981 F985 L989 Y1008 N1010A974-N983 PolarHBondContact O-ND2 3.01Å; A974-N983 VanDerWaalsContact O-ND2 3.16Å; N979-N983 PolarHBondContact O-ND2 3.1Å; R980-N983 PolarHBondContact O-N 3.26Å; D981-N983 VanDerWaalsContact C-N 3.28Å; N983-F985 VanDerWaalsContact C-N 3.27Å; N983-F985 PolarHBondContact O-N 3.43Å; N983-L989 HydrophobicContact CB-CD2 4.27Å; N983-L989 WeakPolarHBondContact ND2-CD2 3.46Å; N983-Y1008 WeakPolarHBondContact OD1-CE1 3.41Å; N983-Y1008 PolarHBondContact OD1-OH 3.43Å; N983-N1010 PolarHBondContact OD1-ND2 3.04Å
984R95.6Very high95.1Very high42 Ų4252.4 Ų52.416%0.15829%0.288CS..SBendtrans-69.7-26.6174.5-173.3179.7-69.7-88.2-4112.3G1030 P1031 L1032 E1063 K1064 S1166R984-G1030 PolarHBondContact NE-O 2.92Å; R984-G1030 PolarHBondContact NH2-O 2.68Å; R984-P1031 PolarHBondContact NH2-O 3.38Å; R984-L1032 HydrophobicContact CB-CD2 4.2Å; R984-L1032 HydrophobicContact CG-CD2 4.23Å; R984-E1063 IonicContact CZ-OE1 2.73Å; R984-E1063 PolarHBondContact NH1-O 2.72Å; R984-E1063 IonicContact NH1-OE1 3.75Å; R984-E1063 PolarHBondContact NH1-OE1 3.2Å; R984-E1063 IonicContact NH2-OE1 3.37Å; R984-E1063 PolarHBondContact NH2-OE1 3.09Å; R984-K1064 VanDerWaalsContact CZ-O 3.25Å; R984-K1064 PolarHBondContact NE-O 3.29Å; R984-S1166 VanDerWaalsContact CD-OG 3.3Å; R984-S1166 WeakPolarHBondContact CD-OG 3.22Å
985F95.5Very high95.2Very high80 Ų8054.1 Ų54.135%0.35130%0.295SS..  trans-136.7133.6178.3-59.8-83.5000109.3N983 D987 V988 A1167N983-F985 VanDerWaalsContact C-N 3.27Å; N983-F985 PolarHBondContact O-N 3.43Å; F985-D987 VanDerWaalsContact C-N 3.3Å; F985-D987 PolarHBondContact O-N 2.82Å; F985-V988 HydrophobicContact CB-CB 4.14Å; F985-V988 HydrophobicContact CB-CG2 4.05Å; F985-A1167 HydrophobicContact CD2-CB 3.57Å; F985-A1167 HydrophobicContact CE2-CB 3.64Å; F985-A1167 HydrophobicContact CG-CB 4.46Å
986A93Very high95.4Very high89 Ų8950.2 Ų50.274%0.73627%0.274SS*.THydrogen-bonded Turntrans-76.4-17.5-175.400000113.7
987D91.9Very high95.5Very high104 Ų10452.3 Ų52.356%0.55628%0.282SS*.THydrogen-bonded Turntrans-101.8-3.2-178.364.1-46.9000113.7F985 M1205F985-D987 VanDerWaalsContact C-N 3.3Å; F985-D987 PolarHBondContact O-N 2.82Å; D987-M1205 VanDerWaalsContact O-SD 3.42Å
988V96.4Very high95.7Very high3 Ų348.7 Ų48.72%0.01825%0.25CS..  trans-119.892.1179-171.80000109.7F985 N1010 A1167 V1169 L1206F985-V988 HydrophobicContact CB-CB 4.14Å; F985-V988 HydrophobicContact CB-CG2 4.05Å; V988-N1010 PolarHBondContact O-ND2 2.58Å; V988-A1167 HydrophobicContact CG1-CB 4.26Å; V988-A1167 HydrophobicContact CG2-CB 4.29Å; V988-V1169 HydrophobicContact CG1-CB 4.31Å; V988-V1169 HydrophobicContact CG1-CG1 3.54Å; V988-V1169 HydrophobicContact CG1-CG2 3.72Å; V988-V1169 HydrophobicContact CG2-CG2 4.42Å; V988-L1206 HydrophobicContact CG2-CD1 4.01Å
989L96.7Very high95.8Very high11 Ų1148 Ų486%0.05825%0.253CS..  trans-118.9156.1-174.7-53.3-179.3000111C971 A974 L975 N983 M1205C971-L989 HydrophobicContact CB-CB 4.2Å; C971-L989 HydrophobicContact CB-CD1 3.99Å; A974-L989 HydrophobicContact CB-CB 3.97Å; A974-L989 HydrophobicContact CB-CD1 4.08Å; A974-L989 HydrophobicContact CB-CD2 4.19Å; A974-L989 HydrophobicContact CB-CG 4.3Å; L975-L989 HydrophobicContact CD2-CD1 3.65Å; L975-L989 HydrophobicContact CG-CD1 3.93Å; N983-L989 HydrophobicContact CB-CD2 4.27Å; N983-L989 WeakPolarHBondContact ND2-CD2 3.46Å; L989-M1205 HydrophobicContact CB-CE 4.17Å; L989-M1205 HydrophobicContact CB-SD 4.47Å; L989-M1205 PolarHBondContact N-SD 3.5Å; L989-M1205 VanDerWaalsContact N-SD 3.45Å; L989-M1205 WeakPolarHBondContact O-CE 3.43Å; L989-M1205 WeakPolarHBondContact O-CG 3.48Å
990P97.3Very high95.8Very high2 Ų252.1 Ų52.11%0.01328%0.28CS..  trans-73.6149.4162.633.8-34.2000110.3C971 A974 R995 Y1008 A1011 S1012C971-P990 PolarHBondContact SG-O 3.31Å; A974-P990 HydrophobicContact CB-CG 4.35Å; P990-R995 HydrophobicContact CB-CB 3.89Å; P990-R995 HydrophobicContact CG-CB 4.11Å; P990-Y1008 VanDerWaalsContact CD-OH 3.25Å; P990-Y1008 WeakPolarHBondContact CD-OH 3.42Å; P990-Y1008 HydrophobicContact CG-CE2 3.82Å; P990-A1011 WeakPolarHBondContact CB-O 3.36Å; P990-S1012 WeakPolarHBondContact CB-OG 3.27Å
991Y97.3Very high95.7Very high3 Ų346 Ų461%0.01226%0.26CS..  trans-73.1149.8165.2-50.9-60.8000109.7R965 V966 E969 D970 S993 S994 R995 R1201 D1202 Q1203 M1205R965-Y991 WeakPolarHBondContact CA-OH 3.35Å; V966-Y991 HydrophobicContact CG2-CE2 4.29Å; V966-Y991 PolarHBondContact N-OH 3.38Å; V966-Y991 VanDerWaalsContact N-OH 3.07Å; E969-Y991 HydrophobicContact CB-CD1 3.58Å; E969-Y991 HydrophobicContact CB-CE1 3.9Å; E969-Y991 HydrophobicContact CB-CG 3.95Å; E969-Y991 HydrophobicContact CG-CD1 4.46Å; E969-Y991 HydrophobicContact CG-CG 4.41Å; D970-Y991 CarbonylContact O-C 3.58Å; D970-Y991 WeakPolarHBondContact O-CA 3.25Å; Y991-S993 PolarHBondContact O-N 2.98Å; Y991-S994 PolarHBondContact O-N 2.97Å; Y991-S994 VanDerWaalsContact O-N 3.14Å; Y991-R995 WeakPolarHBondContact O-CB 3.4Å; Y991-R995 PolarHBondContact O-N 3.2Å; Y991-R1201 WeakPolarHBondContact CE2-O 3.23Å; Y991-R1201 PolarHBondContact OH-O 3.09Å; Y991-D1202 WeakPolarHBondContact CE2-O 3.35Å; Y991-Q1203 WeakPolarHBondContact CD2-O 3.48Å; Y991-M1205 HydrophobicContact CD1-CE 4.09Å; Y991-M1205 HydrophobicContact CE1-CB 4.21Å; Y991-M1205 HydrophobicContact CE1-CE 3.79Å
992D95.3Very high95.5Very high39 Ų3951.2 Ų51.221%0.20928%0.279CS..THydrogen-bonded Turntrans-61.7-28.9178.2-72.1-41.4000112.1D970 N972 T973D970-D992 PolarHBondContact O-N 3.2Å; N972-D992 WeakPolarHBondContact CA-OD2 3.4Å; N972-D992 VanDerWaalsContact CB-OD2 3.25Å; N972-D992 WeakPolarHBondContact CB-OD2 3.49Å; N972-D992 PolarHBondContact N-OD2 2.91Å; N972-D992 PolarHBondContact ND2-OD2 2.63Å; T973-D992 WeakPolarHBondContact CB-OD1 3.44Å; T973-D992 PolarHBondContact N-OD1 2.78Å; T973-D992 PolarHBondContact OG1-OD1 3.16Å
993S94.8Very high95.1Very high84 Ų8458.2 Ų58.259%0.58731%0.312SS*.THydrogen-bonded Turntrans-71.5-23.7176.760.30000114.8E969 Y991E969-S993 VanDerWaalsContact OE2-CB 3.26Å; E969-S993 WeakPolarHBondContact OE2-CB 3.25Å; E969-S993 PolarHBondContact OE2-OG 2.89Å; Y991-S993 PolarHBondContact O-N 2.98Å
994S96Very high94.9Very high12 Ų1257.5 Ų57.58%0.08431%0.308CS..THydrogen-bonded Turntrans-123-9.6-171.376.20000114.5Y991 S1012 H1013 Q1203Y991-S994 PolarHBondContact O-N 2.97Å; Y991-S994 VanDerWaalsContact O-N 3.14Å; S994-S1012 CarbonylContact O-C 3.56Å; S994-S1012 VanDerWaalsContact O-CA 3.31Å; S994-S1012 WeakPolarHBondContact O-CA 3.45Å; S994-H1013 PolarHBondContact O-N 2.84Å; S994-Q1203 VanDerWaalsContact CB-O 3.25Å; S994-Q1203 WeakPolarHBondContact CB-O 3.32Å; S994-Q1203 PolarHBondContact OG-O 2.88Å
995R96.9Very high94.8Very high37 Ų3760.6 Ų60.614%0.1433%0.328CS..EExtended strand (participates in β ladder)trans-54150.8179.771.6-177.4-169.4110.6-5.1111.8P990 Y991 E997 A1011 H1013P990-R995 HydrophobicContact CB-CB 3.89Å; P990-R995 HydrophobicContact CG-CB 4.11Å; Y991-R995 WeakPolarHBondContact O-CB 3.4Å; Y991-R995 PolarHBondContact O-N 3.2Å; R995-E997 HydrophobicContact CG-CG 4.13Å; R995-E997 IonicContact CZ-OE1 3Å; R995-E997 IonicContact NE-OE1 3.98Å; R995-E997 PolarHBondContact NE-OE1 3.39Å; R995-E997 VanDerWaalsContact NE-OE1 3.09Å; R995-E997 IonicContact NH2-OE1 3.67Å; R995-E997 PolarHBondContact NH2-OE1 2.89Å; R995-E997 IonicContact NH2-OE2 3.65Å; R995-A1011 WeakPolarHBondContact CA-O 3.3Å; R995-H1013 PolarHBondContact O-CD2 3.07Å
996V97.9Very high94.6Very high1 Ų158.1 Ų58.11%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-80.2127.4166.1-169.50000109.2L998 I1009 A1011 I1026 M1042 E1046V996-L998 HydrophobicContact CG1-CD2 4.27Å; V996-I1009 HydrophobicContact CB-CG2 4.29Å; V996-A1011 HydrophobicContact CB-CB 4.37Å; V996-A1011 HydrophobicContact CG2-CB 3.8Å; V996-A1011 PolarHBondContact N-O 3.31Å; V996-I1026 HydrophobicContact CG2-CD1 4.41Å; V996-I1026 HydrophobicContact CG2-CG1 4.22Å; V996-I1026 HydrophobicContact CG2-CG2 3.83Å; V996-M1042 HydrophobicContact CB-CG 4.41Å; V996-M1042 HydrophobicContact CB-SD 4.12Å; V996-M1042 HydrophobicContact CG1-CG 3.8Å; V996-M1042 HydrophobicContact CG1-SD 4.17Å; V996-M1042 HydrophobicContact CG2-SD 4.06Å; V996-E1046 HydrophobicContact CG1-CG 3.9Å
997E97Very high94.8Very high121 Ų12154 Ų5457%0.56529%0.285SS*.EExtended strand (participates in β ladder)trans-100.2107.2-178.6-52.5-157.2152.400110.9R995R995-E997 HydrophobicContact CG-CG 4.13Å; R995-E997 IonicContact CZ-OE1 3Å; R995-E997 IonicContact NE-OE1 3.98Å; R995-E997 PolarHBondContact NE-OE1 3.39Å; R995-E997 VanDerWaalsContact NE-OE1 3.09Å; R995-E997 IonicContact NH2-OE1 3.67Å; R995-E997 PolarHBondContact NH2-OE1 2.89Å; R995-E997 IonicContact NH2-OE2 3.65Å
998L97.2Very high95Very high9 Ų949.1 Ų49.15%0.04726%0.259CS..PPolyproline II helixtrans-82.3149177.4-52.7-174000111.1V996 P1000 G1007 I1009 D1038 Q1041 M1042V996-L998 HydrophobicContact CG1-CD2 4.27Å; L998-P1000 VanDerWaalsContact O-CD 3.25Å; L998-P1000 WeakPolarHBondContact O-CD 3.4Å; L998-G1007 WeakPolarHBondContact CB-O 3.4Å; L998-G1007 PolarHBondContact N-O 2.79Å; L998-G1007 VanDerWaalsContact O-CA 3.23Å; L998-G1007 WeakPolarHBondContact O-CA 3.05Å; L998-I1009 HydrophobicContact CD1-CB 3.93Å; L998-I1009 HydrophobicContact CD1-CG2 3.86Å; L998-I1009 HydrophobicContact CD2-CG2 4.1Å; L998-I1009 HydrophobicContact CG-CB 4.43Å; L998-I1009 HydrophobicContact CG-CG2 3.86Å; L998-D1038 HydrophobicContact CD1-CB 3.83Å; L998-Q1041 HydrophobicContact CD1-CB 4.48Å; L998-Q1041 HydrophobicContact CD1-CG 4.45Å; L998-M1042 HydrophobicContact CD2-CB 3.66Å; L998-M1042 HydrophobicContact CD2-CG 3.96Å
999V96.2Very high95.1Very high85 Ų8549.4 Ų49.452%0.51526%0.26SS..PPolyproline II helixtrans-61.4119.8171.3178.80000109.5Q1041 E1045V999-Q1041 PolarHBondContact O-NE2 3Å; V999-E1045 PolarHBondContact N-OE2 3.37Å
1000P95.6Very high95.2Very high86 Ų8649 Ų4956%0.55826%0.258SS*.PPolyproline II helixtrans-54.7142.5-175.6-31.838.5000114.4L998 N1005L998-P1000 VanDerWaalsContact O-CD 3.25Å; L998-P1000 WeakPolarHBondContact O-CD 3.4Å; P1000-N1005 WeakPolarHBondContact CB-O 3.36Å
1001T92.5Very high95.3Very high34 Ų3448.9 Ų48.921%0.20926%0.257CS..  trans-126.4167.6177.478.40000110.3E1003 N1004 N1005T1001-E1003 PolarHBondContact O-N 3.11Å; T1001-E1003 PolarHBondContact OG1-N 3.06Å; T1001-N1004 PolarHBondContact N-O 3.2Å; T1001-N1004 CarbonylContact O-C 3.6Å; T1001-N1004 PolarHBondContact O-N 3.34Å; T1001-N1004 VanDerWaalsContact O-N 3.14Å; T1001-N1004 PolarHBondContact OG1-N 2.99Å; T1001-N1005 WeakPolarHBondContact O-CA 3.41Å; T1001-N1005 PolarHBondContact O-N 3.24Å; T1001-N1005 PolarHBondContact O-OD1 3.13Å
1002K89.3Confident95.3Very high198 Ų19848.7 Ų48.786%0.86126%0.257SS*.SBendtrans-61.5-23.5175.5-65.6-173.1176.4-173.40113.7
1003E87.1Confident95.5Very high164 Ų16448.5 Ų48.577%0.76626%0.255SS*.SBendtrans-93.1-24.1179.3-70.2144.4-139.800111.1T1001T1001-E1003 PolarHBondContact O-N 3.11Å; T1001-E1003 PolarHBondContact OG1-N 3.06Å
1004N93.9Very high95.6Very high3 Ų344.5 Ų44.52%0.01623%0.227CC..  trans-13876.7-179.8-167.13.9000110.6K982 T1001 T1006 G1007 Y1008 D1038K982-N1004 PolarHBondContact NZ-OD1 3.04Å; T1001-N1004 PolarHBondContact N-O 3.2Å; T1001-N1004 CarbonylContact O-C 3.6Å; T1001-N1004 PolarHBondContact O-N 3.34Å; T1001-N1004 VanDerWaalsContact O-N 3.14Å; T1001-N1004 PolarHBondContact OG1-N 2.99Å; N1004-T1006 PolarHBondContact O-N 2.75Å; N1004-T1006 PolarHBondContact OD1-OG1 3.46Å; N1004-T1006 VanDerWaalsContact OD1-OG1 3.06Å; N1004-G1007 PolarHBondContact O-N 2.92Å; N1004-G1007 VanDerWaalsContact O-N 3.15Å; N1004-Y1008 PolarHBondContact ND2-N 3.39Å; N1004-Y1008 PolarHBondContact ND2-O 3.12Å; N1004-Y1008 PolarHBondContact OD1-N 3.45Å; N1004-D1038 PolarHBondContact ND2-OD1 2.9Å
1005N93.2Very high95.6Very high108 Ų10849.1 Ų49.158%0.57825%0.245SC*.THydrogen-bonded Turntrans-64.9-22.5-174.2-60.2-61.2000113.6P1000 T1001P1000-N1005 WeakPolarHBondContact CB-O 3.36Å; T1001-N1005 WeakPolarHBondContact O-CA 3.41Å; T1001-N1005 PolarHBondContact O-N 3.24Å; T1001-N1005 PolarHBondContact O-OD1 3.13Å
1006T92.3Very high95.4Very high28 Ų2847.4 Ų47.417%0.17224%0.239CC..THydrogen-bonded Turntrans-86.4-11179.150.20000113.4L976 E978 N979 N1004 Y1008L976-T1006 HydrophobicContact CD1-CG2 4Å; E978-T1006 VanDerWaalsContact CD-CG2 3.48Å; E978-T1006 HydrophobicContact CG-CG2 3.84Å; E978-T1006 VanDerWaalsContact OE1-CG2 3.26Å; E978-T1006 WeakPolarHBondContact OE1-CG2 3.42Å; N979-T1006 PolarHBondContact ND2-OG1 2.69Å; N979-T1006 PolarHBondContact OD1-OG1 3Å; N1004-T1006 PolarHBondContact O-N 2.75Å; N1004-T1006 PolarHBondContact OD1-OG1 3.46Å; N1004-T1006 VanDerWaalsContact OD1-OG1 3.06Å; T1006-Y1008 PolarHBondContact O-N 3.47Å; T1006-Y1008 WeakPolarHBondContact OG1-CB 3.46Å
1007G95.6Very high95.1Very high2 Ų251 Ų512%0.02126%0.261CS..  trans60.924.7-17100000113.2L998 N1004L998-G1007 WeakPolarHBondContact CB-O 3.4Å; L998-G1007 PolarHBondContact N-O 2.79Å; L998-G1007 VanDerWaalsContact O-CA 3.23Å; L998-G1007 WeakPolarHBondContact O-CA 3.05Å; N1004-G1007 PolarHBondContact O-N 2.92Å; N1004-G1007 VanDerWaalsContact O-N 3.15Å
1008Y97.9Very high94.8Very high2 Ų245.4 Ų45.41%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-88.7136-169.4178.2-99.3000113.2T973 A974 N979 K982 N983 P990 N1004 T1006T973-Y1008 HydrophobicContact CG2-CD2 4.07Å; A974-Y1008 HydrophobicContact CB-CE2 3.66Å; A974-Y1008 VanDerWaalsContact CB-OH 3.31Å; A974-Y1008 WeakPolarHBondContact CB-OH 3.31Å; N979-Y1008 HydrophobicContact CB-CD1 3.61Å; N979-Y1008 HydrophobicContact CB-CE1 4.03Å; N979-Y1008 HydrophobicContact CB-CG 4.02Å; N979-Y1008 WeakPolarHBondContact ND2-CB 3.32Å; N979-Y1008 WeakPolarHBondContact OD1-CB 3.45Å; K982-Y1008 HydrophobicContact CB-CD1 4.15Å; K982-Y1008 HydrophobicContact CB-CE1 4.21Å; K982-Y1008 HydrophobicContact CD-CD1 4.05Å; N983-Y1008 WeakPolarHBondContact OD1-CE1 3.41Å; N983-Y1008 PolarHBondContact OD1-OH 3.43Å; P990-Y1008 VanDerWaalsContact CD-OH 3.25Å; P990-Y1008 WeakPolarHBondContact CD-OH 3.42Å; P990-Y1008 HydrophobicContact CG-CE2 3.82Å; N1004-Y1008 PolarHBondContact ND2-N 3.39Å; N1004-Y1008 PolarHBondContact ND2-O 3.12Å; N1004-Y1008 PolarHBondContact OD1-N 3.45Å; T1006-Y1008 PolarHBondContact O-N 3.47Å; T1006-Y1008 WeakPolarHBondContact OG1-CB 3.46Å
1009I98.2Very high94Very high8 Ų846.9 Ų46.94%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-141146.2163.7-173.2164.9000109.2V996 L998 A1011 D1038 F1039 M1042V996-I1009 HydrophobicContact CB-CG2 4.29Å; L998-I1009 HydrophobicContact CD1-CB 3.93Å; L998-I1009 HydrophobicContact CD1-CG2 3.86Å; L998-I1009 HydrophobicContact CD2-CG2 4.1Å; L998-I1009 HydrophobicContact CG-CB 4.43Å; L998-I1009 HydrophobicContact CG-CG2 3.86Å; I1009-A1011 VanDerWaalsContact C-N 3.26Å; I1009-A1011 HydrophobicContact CG2-CB 4.26Å; I1009-A1011 PolarHBondContact O-N 2.97Å; I1009-D1038 HydrophobicContact CD1-CB 4.07Å; I1009-F1039 HydrophobicContact CD1-CB 4.23Å; I1009-M1042 HydrophobicContact CD1-CB 4.27Å; I1009-M1042 HydrophobicContact CD1-CE 4.25Å; I1009-M1042 HydrophobicContact CD1-SD 3.97Å; I1009-M1042 HydrophobicContact CG2-CG 4.49Å; I1009-M1042 HydrophobicContact CG2-SD 3.79Å
1010N98.2Very high93.4Very high2 Ų246.3 Ų46.31%0.01126%0.263CS..EExtended strand (participates in β ladder)trans-77.480174.7-167.6-42.1000110.7N983 V988 Q1029 R1204N983-N1010 PolarHBondContact OD1-ND2 3.04Å; V988-N1010 PolarHBondContact O-ND2 2.58Å; N1010-Q1029 HydrophobicContact CB-CG 4.07Å; N1010-Q1029 PolarHBondContact O-N 3.49Å; N1010-Q1029 VanDerWaalsContact O-N 3.12Å; N1010-R1204 PolarHBondContact OD1-NH1 2.93Å; N1010-R1204 PolarHBondContact OD1-NH2 3.31Å
1011A98.4Very high93Very high0 Ų046.9 Ų46.90%026%0.259CS..EExtended strand (participates in β ladder)trans-149.2149.817400000110.3P990 R995 V996 I1009 I1026 A1027 A1028 M1042P990-A1011 WeakPolarHBondContact CB-O 3.36Å; R995-A1011 WeakPolarHBondContact CA-O 3.3Å; V996-A1011 HydrophobicContact CB-CB 4.37Å; V996-A1011 HydrophobicContact CG2-CB 3.8Å; V996-A1011 PolarHBondContact N-O 3.31Å; I1009-A1011 VanDerWaalsContact C-N 3.26Å; I1009-A1011 HydrophobicContact CG2-CB 4.26Å; I1009-A1011 PolarHBondContact O-N 2.97Å; A1011-I1026 HydrophobicContact CB-CG2 3.88Å; A1011-A1027 CarbonylContact C-O 3.41Å; A1011-A1027 WeakPolarHBondContact CA-O 2.99Å; A1011-A1028 HydrophobicContact CB-CB 3.64Å; A1011-M1042 HydrophobicContact CB-CE 4.17Å; A1011-M1042 HydrophobicContact CB-SD 3.45Å; A1011-M1042 WeakPolarHBondContact CB-SD 3.37Å
1012S98.5Very high92.9Very high0 Ų047.9 Ų47.90%027%0.265CS..EExtended strand (participates in β ladder)trans-124.3138.4176.3-53.20000110.5P990 S994 I1026 A1027 R1204P990-S1012 WeakPolarHBondContact CB-OG 3.27Å; S994-S1012 CarbonylContact O-C 3.56Å; S994-S1012 VanDerWaalsContact O-CA 3.31Å; S994-S1012 WeakPolarHBondContact O-CA 3.45Å; S1012-I1026 CarbonylContact O-C 3.53Å; S1012-I1026 WeakPolarHBondContact O-CA 3.03Å; S1012-A1027 PolarHBondContact N-O 3.43Å; S1012-A1027 PolarHBondContact O-N 3.44Å; S1012-R1204 PolarHBondContact OG-NH1 2.83Å; S1012-R1204 VanDerWaalsContact OG-NH1 3.09Å
1013H98.1Very high93.1Very high35 Ų3539.3 Ų39.316%0.16223%0.227CC..EExtended strand (participates in β ladder)trans-64.8136.7159.4-60-72.7000109.3S994 R995 Y1025 E1046S994-H1013 PolarHBondContact O-N 2.84Å; R995-H1013 PolarHBondContact O-CD2 3.07Å; H1013-Y1025 WeakPolarHBondContact CA-O 3.44Å; H1013-E1046 IonicContact CE1-OE1 2.95Å; H1013-E1046 IonicContact CE1-OE2 3.93Å; H1013-E1046 PolarHBondContact CE1-OE2 3.45Å; H1013-E1046 VanDerWaalsContact CE1-OE2 3.27Å; H1013-E1046 IonicContact ND1-OE2 2.96Å
1014V97.4Very high93.5Very high0 Ų032.2 Ų32.20%020%0.196CC..EExtended strand (participates in β ladder)trans-132.9117.1174.3178.50000107.8Y1025 A1027 L1200 Q1203 R1204V1014-Y1025 PolarHBondContact N-O 3.1Å; V1014-Y1025 PolarHBondContact O-N 2.99Å; V1014-A1027 HydrophobicContact CG2-CB 4.01Å; V1014-L1200 HydrophobicContact CG1-CD2 3.42Å; V1014-L1200 VanDerWaalsContact CG1-CD2 3.42Å; V1014-Q1203 HydrophobicContact CG2-CB 4.27Å; V1014-R1204 HydrophobicContact CG2-CB 4.36Å
1015K95.6Very high93.7Very high108 Ų10832.1 Ų32.147%0.4720%0.195SC..EExtended strand (participates in β ladder)trans-127.2132.1-174.9-68.3169.6-176.4166.70109.8W1023 Q1203K1015-W1023 WeakPolarHBondContact CA-O 3.47Å; K1015-Q1203 PolarHBondContact O-NE2 3.04Å; K1015-Q1203 PolarHBondContact O-OE1 3.05Å
1016V94.2Very high93.9Very high2 Ų227 Ų271%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-142.9135.8-177.2-178.50000108.4I1018 W1023 L1180 M1199 L1200V1016-I1018 HydrophobicContact CG1-CD1 4.2Å; V1016-I1018 HydrophobicContact CG1-CG1 4.06Å; V1016-W1023 PolarHBondContact N-O 2.84Å; V1016-W1023 WeakPolarHBondContact O-CB 3.32Å; V1016-W1023 PolarHBondContact O-N 3.34Å; V1016-L1180 HydrophobicContact CB-CD1 4.09Å; V1016-L1180 HydrophobicContact CB-CD2 3.96Å; V1016-L1180 HydrophobicContact CG1-CD1 4.29Å; V1016-L1180 HydrophobicContact CG1-CD2 4.13Å; V1016-L1180 HydrophobicContact CG2-CD1 3.82Å; V1016-M1199 HydrophobicContact CG1-CE 3.97Å; V1016-L1200 HydrophobicContact CG2-CD2 4.29Å
1017T91.5Very high94.2Very high77 Ų7725.6 Ų25.647%0.47216%0.159SC..EExtended strand (participates in β ladder)trans-111126.5179.7-58.60000110.3Q1021 T1022T1017-Q1021 WeakPolarHBondContact CA-O 3.5Å; T1017-T1022 PolarHBondContact OG1-OG1 2.95Å
1018I89.8Confident94.4Very high2 Ų225.6 Ų25.61%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-138.8130.6-174.5-60.2173.1000106.8V1016 G1020 Q1021 L1180 A1183 E1189 L1191V1016-I1018 HydrophobicContact CG1-CD1 4.2Å; V1016-I1018 HydrophobicContact CG1-CG1 4.06Å; I1018-G1020 PolarHBondContact O-N 2.83Å; I1018-G1020 VanDerWaalsContact O-N 3.13Å; I1018-Q1021 PolarHBondContact N-O 2.91Å; I1018-Q1021 WeakPolarHBondContact O-CA 3.41Å; I1018-Q1021 WeakPolarHBondContact O-CB 3.36Å; I1018-Q1021 PolarHBondContact O-N 3.26Å; I1018-Q1021 VanDerWaalsContact O-O 3.11Å; I1018-L1180 HydrophobicContact CD1-CB 3.96Å; I1018-L1180 HydrophobicContact CD1-CD2 3.55Å; I1018-L1180 HydrophobicContact CD1-CG 4.35Å; I1018-L1180 WeakPolarHBondContact CD1-O 3.13Å; I1018-A1183 HydrophobicContact CD1-CB 4.31Å; I1018-A1183 HydrophobicContact CG2-CB 4.38Å; I1018-E1189 HydrophobicContact CG2-CB 4.34Å; I1018-E1189 HydrophobicContact CG2-CG 3.83Å; I1018-L1191 HydrophobicContact CG1-CD1 4.42Å
1019G80.9Confident94.4Very high41 Ų4125.9 Ų25.942%0.42316%0.16SC..THydrogen-bonded Turntrans6319.218000000114.4Q1021 E1189G1019-Q1021 PolarHBondContact O-N 2.69Å; G1019-E1189 WeakPolarHBondContact CA-OE1 3.21Å; G1019-E1189 PolarHBondContact N-OE1 3.14Å
1020G83.9Confident94.4Very high72 Ų7225.5 Ų25.574%0.74216%0.158SC*.THydrogen-bonded Turntrans74.7-1-168.100000115I1018I1018-G1020 PolarHBondContact O-N 2.83Å; I1018-G1020 VanDerWaalsContact O-N 3.13Å
1021Q86.4Confident94.3Very high98 Ų9825.4 Ų25.446%0.45816%0.158SC..EExtended strand (participates in β ladder)trans-91.7125.7173.3-179.4171.4-53.200110.5T1017 I1018 G1019 W1023T1017-Q1021 WeakPolarHBondContact CA-O 3.5Å; I1018-Q1021 PolarHBondContact N-O 2.91Å; I1018-Q1021 WeakPolarHBondContact O-CA 3.41Å; I1018-Q1021 WeakPolarHBondContact O-CB 3.36Å; I1018-Q1021 PolarHBondContact O-N 3.26Å; I1018-Q1021 VanDerWaalsContact O-O 3.11Å; G1019-Q1021 PolarHBondContact O-N 2.69Å; Q1021-W1023 VanDerWaalsContact NE2-CZ2 3.27Å; Q1021-W1023 VanDerWaalsContact O-CD1 3.3Å
1022T91.1Very high94.2Very high55 Ų5526.5 Ų26.534%0.33716%0.164SC..EExtended strand (participates in β ladder)trans-87.9119174-60.10000110.9T1017T1017-T1022 PolarHBondContact OG1-OG1 2.95Å
1023W93Very high94Very high18 Ų1830.7 Ų30.77%0.06819%0.193CC..EExtended strand (participates in β ladder)trans-90.1133.6172.6-60.875.8000108.7K1015 V1016 Q1021 Y1025 R1146 E1179 L1180 A1183K1015-W1023 WeakPolarHBondContact CA-O 3.47Å; V1016-W1023 PolarHBondContact N-O 2.84Å; V1016-W1023 WeakPolarHBondContact O-CB 3.32Å; V1016-W1023 PolarHBondContact O-N 3.34Å; Q1021-W1023 VanDerWaalsContact NE2-CZ2 3.27Å; Q1021-W1023 VanDerWaalsContact O-CD1 3.3Å; W1023-Y1025 HydrophobicContact CB-CE2 3.87Å; W1023-R1146 VanDerWaalsContact CE3-NH1 3.25Å; W1023-E1179 HydrophobicContact CZ3-CG 3.98Å; W1023-L1180 HydrophobicContact CB-CD2 3.71Å; W1023-L1180 HydrophobicContact CD2-CD2 4.23Å; W1023-L1180 HydrophobicContact CG-CD2 3.76Å; W1023-A1183 HydrophobicContact CH2-CB 3.95Å; W1023-A1183 HydrophobicContact CZ2-CB 3.39Å
1024S95.3Very high93.9Very high16 Ų1633.4 Ų33.411%0.11221%0.206CC..EExtended strand (participates in β ladder)trans-131.1124.5-171.7-169.60000110.2P1160 V1161S1024-P1160 WeakPolarHBondContact O-CA 3.36Å; S1024-V1161 PolarHBondContact O-N 3.18Å; S1024-V1161 VanDerWaalsContact O-N 3.11Å
1025Y98.1Very high93.8Very high0 Ų033.6 Ų33.60%021%0.207CC..EExtended strand (participates in β ladder)trans-133.2160.6-178.1-54-88.4000111.7H1013 V1014 W1023 R1146 V1161 V1163 I1176 E1179 L1180H1013-Y1025 WeakPolarHBondContact CA-O 3.44Å; V1014-Y1025 PolarHBondContact N-O 3.1Å; V1014-Y1025 PolarHBondContact O-N 2.99Å; W1023-Y1025 HydrophobicContact CB-CE2 3.87Å; Y1025-R1146 PolarHBondContact OH-NH1 2.83Å; Y1025-V1161 CarbonylContact C-O 3.6Å; Y1025-V1161 VanDerWaalsContact CA-O 3.22Å; Y1025-V1161 WeakPolarHBondContact CA-O 3.23Å; Y1025-V1161 HydrophobicContact CD1-CB 4.19Å; Y1025-V1163 HydrophobicContact CD1-CG2 4.01Å; Y1025-I1176 HydrophobicContact CD1-CD1 4.37Å; Y1025-I1176 HydrophobicContact CD1-CG1 4Å; Y1025-I1176 HydrophobicContact CD2-CG2 4.03Å; Y1025-I1176 HydrophobicContact CE1-CG1 4.23Å; Y1025-I1176 HydrophobicContact CE2-CG2 3.92Å; Y1025-I1176 HydrophobicContact CG-CD1 4.21Å; Y1025-I1176 HydrophobicContact CG-CG1 4.19Å; Y1025-I1176 HydrophobicContact CG-CG2 4.44Å; Y1025-E1179 WeakPolarHBondContact CE1-OE2 3.27Å; Y1025-E1179 PolarHBondContact OH-OE2 3.1Å; Y1025-L1180 HydrophobicContact CE2-CD1 4.37Å; Y1025-L1180 HydrophobicContact CE2-CD2 4.06Å; Y1025-L1180 HydrophobicContact CE2-CG 4.24Å
1026I98.6Very high93.9Very high0 Ų028.5 Ų28.50%019%0.185CC..EExtended strand (participates in β ladder)trans-119.7110161.6-69.7167.1000107.7V996 A1011 S1012 A1028 M1042 E1046 V1048 P1160 V1161 L1162 V1163V996-I1026 HydrophobicContact CG2-CD1 4.41Å; V996-I1026 HydrophobicContact CG2-CG1 4.22Å; V996-I1026 HydrophobicContact CG2-CG2 3.83Å; A1011-I1026 HydrophobicContact CB-CG2 3.88Å; S1012-I1026 CarbonylContact O-C 3.53Å; S1012-I1026 WeakPolarHBondContact O-CA 3.03Å; I1026-A1028 HydrophobicContact CG2-CB 4.45Å; I1026-M1042 HydrophobicContact CG2-CE 3.89Å; I1026-M1042 HydrophobicContact CG2-SD 3.85Å; I1026-E1046 HydrophobicContact CD1-CB 3.66Å; I1026-E1046 HydrophobicContact CD1-CG 3.65Å; I1026-V1048 HydrophobicContact CD1-CG2 3.93Å; I1026-P1160 HydrophobicContact CD1-CB 4.1Å; I1026-P1160 HydrophobicContact CD1-CG 3.68Å; I1026-P1160 HydrophobicContact CG1-CB 4.02Å; I1026-P1160 HydrophobicContact CG1-CG 4.16Å; I1026-V1161 PolarHBondContact N-O 2.84Å; I1026-L1162 HydrophobicContact CB-CB 4.46Å; I1026-L1162 HydrophobicContact CB-CG 4.37Å; I1026-L1162 HydrophobicContact CG2-CG 4.21Å; I1026-L1162 CarbonylContact O-C 3.56Å; I1026-L1162 VanDerWaalsContact O-CA 3.32Å; I1026-L1162 WeakPolarHBondContact O-CA 3.38Å; I1026-V1163 PolarHBondContact O-N 2.87Å
1027A98.5Very high94Very high0 Ų029.7 Ų29.70%020%0.195CC..EExtended strand (participates in β ladder)trans-90.9111.6176.500000109.3A1011 S1012 V1014 V1163 I1176 R1204A1011-A1027 CarbonylContact C-O 3.41Å; A1011-A1027 WeakPolarHBondContact CA-O 2.99Å; S1012-A1027 PolarHBondContact N-O 3.43Å; S1012-A1027 PolarHBondContact O-N 3.44Å; V1014-A1027 HydrophobicContact CG2-CB 4.01Å; A1027-V1163 WeakPolarHBondContact CA-O 3.44Å; A1027-I1176 HydrophobicContact CB-CD1 4.16Å; A1027-R1204 VanDerWaalsContact CB-CD 3.49Å; A1027-R1204 PolarHBondContact O-NE 2.82Å
1028A98.4Very high94.3Very high2 Ų227 Ų272%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-127155.4-169.500000113A1011 I1026 M1042 L1162 V1163 H1164 G1168A1011-A1028 HydrophobicContact CB-CB 3.64Å; I1026-A1028 HydrophobicContact CG2-CB 4.45Å; A1028-M1042 HydrophobicContact CB-CE 4.08Å; A1028-L1162 HydrophobicContact CB-CD2 4Å; A1028-V1163 PolarHBondContact N-O 3.02Å; A1028-H1164 HydrophobicContact CB-CB 4.4Å; A1028-H1164 WeakPolarHBondContact O-CA 3.21Å; A1028-H1164 WeakPolarHBondContact O-CB 3.39Å; A1028-G1168 WeakPolarHBondContact O-CA 3.49Å
1029Q97.8Very high94.7Very high7 Ų727 Ų273%0.03318%0.178CC..PPolyproline II helixtrans-69160.8169.177.6178.116.300112K982 N1010 P1031 S1166K982-Q1029 PolarHBondContact O-NE2 3.07Å; N1010-Q1029 HydrophobicContact CB-CG 4.07Å; N1010-Q1029 PolarHBondContact O-N 3.49Å; N1010-Q1029 VanDerWaalsContact O-N 3.12Å; Q1029-P1031 WeakPolarHBondContact O-CD 3.49Å; Q1029-S1166 WeakPolarHBondContact CA-O 3.22Å; Q1029-S1166 WeakPolarHBondContact CB-O 3.35Å
1030G97.8Very high95.5Very high0 Ų025 Ų250%016%0.158CC..PPolyproline II helixtrans-66.3119.8167.800000110.2R984 C1165 S1166R984-G1030 PolarHBondContact NE-O 2.92Å; R984-G1030 PolarHBondContact NH2-O 2.68Å; G1030-C1165 WeakPolarHBondContact CA-O 3.43Å; G1030-C1165 PolarHBondContact N-O 3.39Å; G1030-S1166 PolarHBondContact N-O 2.67Å
1031P97.5Very high96.1Very high1 Ų122 Ų221%0.00612%0.124CC..PPolyproline II helixtrans-51.1140.1-172.7-33.539.6000113.7R984 Q1029 F1039 S1065 C1066 Y1068R984-P1031 PolarHBondContact NH2-O 3.38Å; Q1029-P1031 WeakPolarHBondContact O-CD 3.49Å; P1031-F1039 HydrophobicContact CB-CB 4.38Å; P1031-F1039 HydrophobicContact CB-CG 4.41Å; P1031-F1039 HydrophobicContact CG-CB 3.96Å; P1031-F1039 HydrophobicContact CG-CD1 3.98Å; P1031-F1039 HydrophobicContact CG-CD2 3.38Å; P1031-F1039 HydrophobicContact CG-CE1 4.29Å; P1031-F1039 HydrophobicContact CG-CE2 3.69Å; P1031-F1039 HydrophobicContact CG-CG 3.5Å; P1031-F1039 VanDerWaalsContact CG-CG 3.5Å; P1031-F1039 HydrophobicContact CG-CZ 4.14Å; P1031-S1065 WeakPolarHBondContact CD-OG 3.44Å; P1031-C1066 WeakPolarHBondContact O-CB 3.3Å; P1031-C1066 PolarHBondContact O-N 3.32Å; P1031-Y1068 HydrophobicContact CB-CD1 4.13Å; P1031-Y1068 HydrophobicContact CG-CD1 3.62Å; P1031-Y1068 HydrophobicContact CG-CE1 4.02Å; P1031-Y1068 HydrophobicContact CG-CG 4.19Å
1032L96.3Very high96.6Very high22 Ų2217.3 Ų17.312%0.11510%0.102CC..PPolyproline II helixtrans-84.5164.6169.3-63160.5000109R984 H1034 T1035 C1036R984-L1032 HydrophobicContact CB-CD2 4.2Å; R984-L1032 HydrophobicContact CG-CD2 4.23Å; L1032-H1034 VanDerWaalsContact C-N 3.3Å; L1032-H1034 PolarHBondContact O-N 2.97Å; L1032-T1035 HydrophobicContact CB-CG2 4.12Å; L1032-T1035 HydrophobicContact CD1-CG2 4.19Å; L1032-T1035 PolarHBondContact N-OG1 3.06Å; L1032-T1035 PolarHBondContact O-N 3.33Å; L1032-C1036 PolarHBondContact O-N 3.3Å; L1032-C1036 PolarHBondContact O-SG 3.22Å
1033S94.4Very high97Very high89 Ų8914.8 Ų14.862%0.6229%0.087SC*.SBendtrans-56.7-41.4-178.854.30000113.1
1034H94.8Very high97.1Very high91 Ų9114.8 Ų14.842%0.4219%0.087SC..SBendtrans-75.9-37.9174.653.4-58.3000113.6D981 L1032 C1036D981-H1034 PolarHBondContact O-CE1 2.94Å; D981-H1034 PolarHBondContact O-NE2 3.12Å; D981-H1034 IonicContact OD2-CD2 2.64Å; D981-H1034 IonicContact OD2-NE2 3.9Å; L1032-H1034 VanDerWaalsContact C-N 3.3Å; L1032-H1034 PolarHBondContact O-N 2.97Å; H1034-C1036 PolarHBondContact O-N 3.29Å
1035T96.7Very high97.1Very high4 Ų416.9 Ų16.93%0.02510%0.095CC..THydrogen-bonded Turntrans-80.87.1-176.577.30000114.4K982 L1032 A1037 D1038 F1039K982-T1035 HydrophobicContact CB-CG2 3.99Å; K982-T1035 HydrophobicContact CG-CG2 4.18Å; L1032-T1035 HydrophobicContact CB-CG2 4.12Å; L1032-T1035 HydrophobicContact CD1-CG2 4.19Å; L1032-T1035 PolarHBondContact N-OG1 3.06Å; L1032-T1035 PolarHBondContact O-N 3.33Å; T1035-A1037 VanDerWaalsContact C-N 3.26Å; T1035-A1037 PolarHBondContact O-N 3.3Å; T1035-D1038 PolarHBondContact O-N 2.95Å; T1035-F1039 PolarHBondContact O-N 3.34Å
1036C97.1Very high97Very high2 Ų219.7 Ų19.71%0.01411%0.108CC..Hα-helixtrans-65.3-28.4177.4-75.20000112.7L1032 H1034 W1040 Y1081L1032-C1036 PolarHBondContact O-N 3.3Å; L1032-C1036 PolarHBondContact O-SG 3.22Å; H1034-C1036 PolarHBondContact O-N 3.29Å; C1036-W1040 VanDerWaalsContact O-CD1 3.27Å; C1036-W1040 PolarHBondContact O-N 3.13Å; C1036-Y1081 HydrophobicContact CB-CD1 3.53Å; C1036-Y1081 HydrophobicContact CB-CE1 3.73Å; C1036-Y1081 HydrophobicContact CB-CG 4.17Å
1037A96.4Very high96.7Very high27 Ų2722 Ų2222%0.22312%0.12CC..Hα-helixtrans-69.9-45.4174.500000111.6T1035 F1039 W1040 Q1041T1035-A1037 VanDerWaalsContact C-N 3.26Å; T1035-A1037 PolarHBondContact O-N 3.3Å; A1037-F1039 VanDerWaalsContact C-N 3.34Å; A1037-F1039 PolarHBondContact O-N 3.17Å; A1037-W1040 PolarHBondContact O-N 3.01Å; A1037-Q1041 WeakPolarHBondContact O-CB 3.41Å; A1037-Q1041 PolarHBondContact O-N 3.25Å
1038D97.4Very high96.6Very high19 Ų1922.1 Ų22.110%0.10212%0.121CC..Hα-helixtrans-62.8-39.7176.1-53.8-68.8000111.8L998 N1004 I1009 T1035 Q1041 M1042L998-D1038 HydrophobicContact CD1-CB 3.83Å; N1004-D1038 PolarHBondContact ND2-OD1 2.9Å; I1009-D1038 HydrophobicContact CD1-CB 4.07Å; T1035-D1038 PolarHBondContact O-N 2.95Å; D1038-Q1041 WeakPolarHBondContact O-CB 3.45Å; D1038-Q1041 PolarHBondContact O-N 3.09Å; D1038-M1042 WeakPolarHBondContact O-CB 3.08Å; D1038-M1042 PolarHBondContact O-N 3.45Å
1039F98.3Very high96.5Very high3 Ų323.1 Ų23.11%0.01313%0.128CC..Hα-helixtrans-62.9-44177.6-175.4-93.2000112.5I1009 P1031 T1035 A1037 Q1041 M1042 V1043 I1051 Y1068 L1162I1009-F1039 HydrophobicContact CD1-CB 4.23Å; P1031-F1039 HydrophobicContact CB-CB 4.38Å; P1031-F1039 HydrophobicContact CB-CG 4.41Å; P1031-F1039 HydrophobicContact CG-CB 3.96Å; P1031-F1039 HydrophobicContact CG-CD1 3.98Å; P1031-F1039 HydrophobicContact CG-CD2 3.38Å; P1031-F1039 HydrophobicContact CG-CE1 4.29Å; P1031-F1039 HydrophobicContact CG-CE2 3.69Å; P1031-F1039 HydrophobicContact CG-CG 3.5Å; P1031-F1039 VanDerWaalsContact CG-CG 3.5Å; P1031-F1039 HydrophobicContact CG-CZ 4.14Å; T1035-F1039 PolarHBondContact O-N 3.34Å; A1037-F1039 VanDerWaalsContact C-N 3.34Å; A1037-F1039 PolarHBondContact O-N 3.17Å; F1039-Q1041 VanDerWaalsContact C-N 3.31Å; F1039-M1042 HydrophobicContact CD2-CE 3.97Å; F1039-M1042 HydrophobicContact CE2-CE 4.11Å; F1039-M1042 WeakPolarHBondContact O-CB 3.17Å; F1039-M1042 PolarHBondContact O-N 3.04Å; F1039-V1043 HydrophobicContact CD1-CG2 4.32Å; F1039-V1043 HydrophobicContact CE1-CG2 4.06Å; F1039-V1043 WeakPolarHBondContact O-CG2 3.43Å; F1039-V1043 PolarHBondContact O-N 2.9Å; F1039-I1051 HydrophobicContact CE1-CD1 4.12Å; F1039-I1051 HydrophobicContact CZ-CD1 4.45Å; F1039-I1051 HydrophobicContact CZ-CG2 4.39Å; F1039-Y1068 AromaticContact CD1-CD2 3.95Å; F1039-Y1068 HydrophobicContact CD1-CD2 3.95Å; F1039-Y1068 HydrophobicContact CD1-CE2 4.13Å; F1039-Y1068 HydrophobicContact CD1-CG 4.3Å; F1039-Y1068 AromaticContact CE1-CD2 3.66Å; F1039-Y1068 HydrophobicContact CE1-CD2 3.66Å; F1039-Y1068 HydrophobicContact CE1-CE1 4.28Å; F1039-Y1068 AromaticContact CE1-CE2 3.37Å; F1039-Y1068 HydrophobicContact CE1-CE2 3.37Å; F1039-Y1068 HydrophobicContact CE1-CG 4.25Å; F1039-Y1068 AromaticContact CE1-CZ 3.69Å; F1039-Y1068 HydrophobicContact CZ-CE1 4.35Å; F1039-Y1068 HydrophobicContact CZ-CE2 4.03Å; F1039-Y1068 AromaticContact CZ-CZ 3.88Å; F1039-L1162 HydrophobicContact CE1-CD1 4.26Å; F1039-L1162 HydrophobicContact CE2-CD1 3.67Å; F1039-L1162 HydrophobicContact CE2-CD2 3.96Å; F1039-L1162 HydrophobicContact CE2-CG 4.45Å; F1039-L1162 HydrophobicContact CZ-CD1 3.52Å; F1039-L1162 HydrophobicContact CZ-CD2 4.04Å; F1039-L1162 HydrophobicContact CZ-CG 4.47Å
1040W97.6Very high96.5Very high0 Ų022.9 Ų22.90%013%0.127CC..Hα-helixtrans-73.8-23175.1-76.5114.8000113.5C1036 A1037 V1043 W1044 I1051 Y1068 W1069 Y1081 F1084 I1086 L1102 I1104C1036-W1040 VanDerWaalsContact O-CD1 3.27Å; C1036-W1040 PolarHBondContact O-N 3.13Å; A1037-W1040 PolarHBondContact O-N 3.01Å; W1040-V1043 HydrophobicContact CE3-CB 3.97Å; W1040-V1043 HydrophobicContact CE3-CG1 3.81Å; W1040-V1043 HydrophobicContact CE3-CG2 4.28Å; W1040-V1043 HydrophobicContact CZ3-CB 4.35Å; W1040-V1043 HydrophobicContact CZ3-CG1 3.77Å; W1040-W1044 WeakPolarHBondContact O-CB 3.23Å; W1040-W1044 PolarHBondContact O-N 3.24Å; W1040-I1051 HydrophobicContact CH2-CD1 4.13Å; W1040-I1051 HydrophobicContact CZ3-CD1 4.2Å; W1040-Y1068 AromaticContact CE2-CD2 3.84Å; W1040-Y1068 AromaticContact CZ2-CD2 3.64Å; W1040-Y1068 HydrophobicContact CZ2-CD2 3.64Å; W1040-Y1068 HydrophobicContact CZ2-CE2 4.02Å; W1040-Y1068 AromaticContact NE1-CD2 3.79Å; W1040-Y1068 PolarHBondContact NE1-O 3.46Å; W1040-W1069 HydrophobicContact CZ2-CB 4.38Å; W1040-Y1081 AromaticContact CD1-CD2 3.33Å; W1040-Y1081 AromaticContact CD1-CE2 4Å; W1040-Y1081 AromaticContact CD1-CG 3.86Å; W1040-Y1081 HydrophobicContact CG-CD2 4.39Å; W1040-Y1081 AromaticContact NE1-CD2 3.5Å; W1040-Y1081 AromaticContact NE1-CE2 3.7Å; W1040-F1084 HydrophobicContact CB-CB 4.1Å; W1040-F1084 HydrophobicContact CB-CD2 4.02Å; W1040-F1084 HydrophobicContact CB-CG 4.27Å; W1040-I1086 HydrophobicContact CD2-CD1 3.41Å; W1040-I1086 VanDerWaalsContact CD2-CD1 3.41Å; W1040-I1086 HydrophobicContact CD2-CG1 3.87Å; W1040-I1086 HydrophobicContact CE3-CD1 3.58Å; W1040-I1086 HydrophobicContact CE3-CG1 4.45Å; W1040-I1086 HydrophobicContact CG-CD1 3.87Å; W1040-I1086 HydrophobicContact CG-CG1 4.17Å; W1040-I1086 HydrophobicContact CH2-CD1 4.14Å; W1040-I1086 HydrophobicContact CH2-CG1 4.48Å; W1040-I1086 HydrophobicContact CH2-CG2 3.98Å; W1040-I1086 HydrophobicContact CZ2-CB 4.44Å; W1040-I1086 HydrophobicContact CZ2-CD1 4.01Å; W1040-I1086 HydrophobicContact CZ2-CG1 3.92Å; W1040-I1086 HydrophobicContact CZ2-CG2 3.71Å; W1040-I1086 HydrophobicContact CZ3-CD1 3.93Å; W1040-L1102 HydrophobicContact CH2-CD1 3.72Å; W1040-L1102 HydrophobicContact CZ2-CD1 4.18Å; W1040-I1104 HydrophobicContact CD2-CD1 4.48Å; W1040-I1104 HydrophobicContact CE3-CD1 3.7Å; W1040-I1104 HydrophobicContact CZ3-CD1 4.29Å
1041Q96.9Very high96.5Very high7 Ų722.9 Ų22.93%0.03313%0.127CC..Hα-helixtrans-65.6-50166.1179.6167.9-33.200111.4L998 V999 A1037 D1038 F1039 V1043 W1044 E1045 F1084L998-Q1041 HydrophobicContact CD1-CB 4.48Å; L998-Q1041 HydrophobicContact CD1-CG 4.45Å; V999-Q1041 PolarHBondContact O-NE2 3Å; A1037-Q1041 WeakPolarHBondContact O-CB 3.41Å; A1037-Q1041 PolarHBondContact O-N 3.25Å; D1038-Q1041 WeakPolarHBondContact O-CB 3.45Å; D1038-Q1041 PolarHBondContact O-N 3.09Å; F1039-Q1041 VanDerWaalsContact C-N 3.31Å; Q1041-V1043 PolarHBondContact O-N 2.83Å; Q1041-W1044 CarbonylContact O-C 3.55Å; Q1041-W1044 PolarHBondContact O-N 3.44Å; Q1041-E1045 HydrophobicContact CG-CG 4.17Å; Q1041-E1045 WeakPolarHBondContact CG-OE1 3.46Å; Q1041-E1045 VanDerWaalsContact CG-OE2 3.27Å; Q1041-E1045 WeakPolarHBondContact CG-OE2 3.46Å; Q1041-E1045 VanDerWaalsContact NE2-CD 3.33Å; Q1041-E1045 PolarHBondContact NE2-OE1 3Å; Q1041-E1045 PolarHBondContact NE2-OE2 3.16Å; Q1041-E1045 WeakPolarHBondContact O-CB 3.32Å; Q1041-E1045 PolarHBondContact O-N 2.86Å; Q1041-F1084 HydrophobicContact CB-CE2 3.76Å; Q1041-F1084 HydrophobicContact CB-CZ 4.45Å; Q1041-F1084 HydrophobicContact CG-CE2 4.35Å
1042M97.6Very high96.5Very high0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-53.7-51.4176-168.2178.566.400111.4V996 L998 I1009 A1011 I1026 A1028 D1038 F1039 W1044 E1045 E1046 L1162V996-M1042 HydrophobicContact CB-CG 4.41Å; V996-M1042 HydrophobicContact CB-SD 4.12Å; V996-M1042 HydrophobicContact CG1-CG 3.8Å; V996-M1042 HydrophobicContact CG1-SD 4.17Å; V996-M1042 HydrophobicContact CG2-SD 4.06Å; L998-M1042 HydrophobicContact CD2-CB 3.66Å; L998-M1042 HydrophobicContact CD2-CG 3.96Å; I1009-M1042 HydrophobicContact CD1-CB 4.27Å; I1009-M1042 HydrophobicContact CD1-CE 4.25Å; I1009-M1042 HydrophobicContact CD1-SD 3.97Å; I1009-M1042 HydrophobicContact CG2-CG 4.49Å; I1009-M1042 HydrophobicContact CG2-SD 3.79Å; A1011-M1042 HydrophobicContact CB-CE 4.17Å; A1011-M1042 HydrophobicContact CB-SD 3.45Å; A1011-M1042 WeakPolarHBondContact CB-SD 3.37Å; I1026-M1042 HydrophobicContact CG2-CE 3.89Å; I1026-M1042 HydrophobicContact CG2-SD 3.85Å; A1028-M1042 HydrophobicContact CB-CE 4.08Å; D1038-M1042 WeakPolarHBondContact O-CB 3.08Å; D1038-M1042 PolarHBondContact O-N 3.45Å; F1039-M1042 HydrophobicContact CD2-CE 3.97Å; F1039-M1042 HydrophobicContact CE2-CE 4.11Å; F1039-M1042 WeakPolarHBondContact O-CB 3.17Å; F1039-M1042 PolarHBondContact O-N 3.04Å; M1042-W1044 PolarHBondContact O-N 2.82Å; M1042-E1045 PolarHBondContact O-N 3.25Å; M1042-E1046 WeakPolarHBondContact O-CB 3.39Å; M1042-E1046 PolarHBondContact O-N 3.01Å; M1042-L1162 HydrophobicContact CE-CD1 3.5Å; M1042-L1162 VanDerWaalsContact CE-CD1 3.5Å; M1042-L1162 HydrophobicContact CE-CG 3.98Å
1043V97.7Very high96.6Very high3 Ų321.8 Ų21.82%0.01812%0.121CC..Hα-helixtrans-58.1-33.2177.5168.30000112.5F1039 W1040 Q1041 V1048 I1051 V1115 L1162F1039-V1043 HydrophobicContact CD1-CG2 4.32Å; F1039-V1043 HydrophobicContact CE1-CG2 4.06Å; F1039-V1043 WeakPolarHBondContact O-CG2 3.43Å; F1039-V1043 PolarHBondContact O-N 2.9Å; W1040-V1043 HydrophobicContact CE3-CB 3.97Å; W1040-V1043 HydrophobicContact CE3-CG1 3.81Å; W1040-V1043 HydrophobicContact CE3-CG2 4.28Å; W1040-V1043 HydrophobicContact CZ3-CB 4.35Å; W1040-V1043 HydrophobicContact CZ3-CG1 3.77Å; Q1041-V1043 PolarHBondContact O-N 2.83Å; V1043-V1048 HydrophobicContact CB-CB 4.34Å; V1043-V1048 HydrophobicContact CG1-CB 4.11Å; V1043-V1048 HydrophobicContact CG1-CG1 4.38Å; V1043-V1048 HydrophobicContact CG2-CB 4.39Å; V1043-V1048 HydrophobicContact CG2-CG1 4.33Å; V1043-V1048 PolarHBondContact O-N 3.43Å; V1043-I1051 HydrophobicContact CG1-CD1 4.47Å; V1043-I1051 HydrophobicContact CG2-CD1 3.91Å; V1043-I1051 HydrophobicContact CG2-CG1 4.47Å; V1043-V1115 HydrophobicContact CG1-CG1 4.46Å; V1043-V1115 HydrophobicContact CG1-CG2 4.04Å; V1043-L1162 HydrophobicContact CG2-CD1 3.53Å
1044W95.9Very high96.7Very high18 Ų1817.6 Ų17.67%0.0689%0.091CC..Hα-helixtrans-82.8-38.5179-174.7-85.7000113.5W1040 Q1041 M1042 F1084 I1104 N1106 Q1111 R1113W1040-W1044 WeakPolarHBondContact O-CB 3.23Å; W1040-W1044 PolarHBondContact O-N 3.24Å; Q1041-W1044 CarbonylContact O-C 3.55Å; Q1041-W1044 PolarHBondContact O-N 3.44Å; M1042-W1044 PolarHBondContact O-N 2.82Å; W1044-F1084 HydrophobicContact CB-CD1 4.17Å; W1044-F1084 HydrophobicContact CB-CE1 3.49Å; W1044-F1084 VanDerWaalsContact CB-CE1 3.49Å; W1044-F1084 HydrophobicContact CB-CZ 3.7Å; W1044-F1084 AromaticContact CD1-CE1 3.68Å; W1044-F1084 AromaticContact CD1-CZ 4Å; W1044-F1084 HydrophobicContact CD2-CD1 4.15Å; W1044-F1084 AromaticContact CD2-CE1 3.62Å; W1044-F1084 HydrophobicContact CD2-CE1 3.62Å; W1044-F1084 HydrophobicContact CE3-CD1 4.32Å; W1044-F1084 HydrophobicContact CE3-CE1 4.24Å; W1044-F1084 HydrophobicContact CG-CD1 4.1Å; W1044-F1084 AromaticContact CG-CE1 3.25Å; W1044-F1084 HydrophobicContact CG-CE1 3.25Å; W1044-F1084 AromaticContact CG-CZ 3.79Å; W1044-F1084 HydrophobicContact CG-CZ 3.79Å; W1044-I1104 HydrophobicContact CB-CD1 4.33Å; W1044-I1104 HydrophobicContact CE3-CD1 3.79Å; W1044-I1104 HydrophobicContact CE3-CG1 3.75Å; W1044-I1104 HydrophobicContact CE3-CG2 4.08Å; W1044-I1104 HydrophobicContact CZ3-CG1 4.11Å; W1044-I1104 HydrophobicContact CZ3-CG2 4.08Å; W1044-N1106 HydrophobicContact CD2-CB 4.11Å; W1044-N1106 HydrophobicContact CE3-CB 4.33Å; W1044-N1106 HydrophobicContact CH2-CB 3.68Å; W1044-N1106 HydrophobicContact CZ2-CB 3.41Å; W1044-N1106 VanDerWaalsContact CZ2-CB 3.41Å; W1044-N1106 HydrophobicContact CZ3-CB 4.12Å; W1044-N1106 PolarHBondContact NE1-ND2 3.13Å; W1044-Q1111 HydrophobicContact CH2-CB 3.71Å; W1044-Q1111 HydrophobicContact CZ2-CB 3.78Å; W1044-R1113 VanDerWaalsContact CG-NH2 3.34Å; W1044-R1113 HydrophobicContact CZ3-CB 4.17Å; W1044-R1113 HydrophobicContact CZ3-CG 4.36Å; W1044-R1113 PolarHBondContact O-NH2 3.12Å
1045E95.4Very high96.6Very high60 Ų6013.3 Ų13.328%0.287%0.072SC..Hα-helixtrans-77.4-33.1-176.2-70.6174.6179.300110.7V999 Q1041 M1042 R1083V999-E1045 PolarHBondContact N-OE2 3.37Å; Q1041-E1045 HydrophobicContact CG-CG 4.17Å; Q1041-E1045 WeakPolarHBondContact CG-OE1 3.46Å; Q1041-E1045 VanDerWaalsContact CG-OE2 3.27Å; Q1041-E1045 WeakPolarHBondContact CG-OE2 3.46Å; Q1041-E1045 VanDerWaalsContact NE2-CD 3.33Å; Q1041-E1045 PolarHBondContact NE2-OE1 3Å; Q1041-E1045 PolarHBondContact NE2-OE2 3.16Å; Q1041-E1045 WeakPolarHBondContact O-CB 3.32Å; Q1041-E1045 PolarHBondContact O-N 2.86Å; M1042-E1045 PolarHBondContact O-N 3.25Å; E1045-R1083 IonicContact OE1-CZ 2.63Å; E1045-R1083 IonicContact OE1-NH1 3.65Å; E1045-R1083 IonicContact OE1-NH2 2.79Å; E1045-R1083 PolarHBondContact OE1-NH2 3.27Å
1046E95.4Very high96.4Very high58 Ų5815 Ų1527%0.2719%0.086SC..THydrogen-bonded Turntrans-91.48.1178.2-67.5-64.313300115.7V996 H1013 I1026 M1042 V1048 P1160V996-E1046 HydrophobicContact CG1-CG 3.9Å; H1013-E1046 IonicContact CE1-OE1 2.95Å; H1013-E1046 IonicContact CE1-OE2 3.93Å; H1013-E1046 PolarHBondContact CE1-OE2 3.45Å; H1013-E1046 VanDerWaalsContact CE1-OE2 3.27Å; H1013-E1046 IonicContact ND1-OE2 2.96Å; I1026-E1046 HydrophobicContact CD1-CB 3.66Å; I1026-E1046 HydrophobicContact CD1-CG 3.65Å; M1042-E1046 WeakPolarHBondContact O-CB 3.39Å; M1042-E1046 PolarHBondContact O-N 3.01Å; E1046-V1048 HydrophobicContact CB-CG2 3.93Å; E1046-V1048 PolarHBondContact O-N 3.46Å; E1046-V1048 VanDerWaalsContact O-N 3.09Å; E1046-P1160 HydrophobicContact CB-CG 4.29Å; E1046-P1160 WeakPolarHBondContact O-CD 3.48Å
1047D93.6Very high96.1Very high48 Ų4816.9 Ų16.926%0.25710%0.095SC..THydrogen-bonded Turntrans50.432.5-176.8-158.821.1000115.2S1049 R1113 N1159D1047-S1049 PolarHBondContact O-N 3.46Å; D1047-S1049 PolarHBondContact O-OG 3.47Å; D1047-R1113 WeakPolarHBondContact OD1-CD 3.34Å; D1047-R1113 IonicContact OD1-CZ 2.6Å; D1047-R1113 IonicContact OD1-NE 3.53Å; D1047-R1113 IonicContact OD1-NH1 2.92Å; D1047-R1113 PolarHBondContact OD1-NH1 2.63Å; D1047-N1159 PolarHBondContact O-ND2 2.88Å; D1047-N1159 VanDerWaalsContact O-ND2 3.13Å; D1047-N1159 PolarHBondContact OD2-ND2 2.8Å
1048V96.1Very high95.8Very high3 Ų321.5 Ų21.52%0.01811%0.112CC..  trans-61.8108.3179.8171.60000109.6I1026 V1043 E1046 I1050 I1051 P1160 L1162I1026-V1048 HydrophobicContact CD1-CG2 3.93Å; V1043-V1048 HydrophobicContact CB-CB 4.34Å; V1043-V1048 HydrophobicContact CG1-CB 4.11Å; V1043-V1048 HydrophobicContact CG1-CG1 4.38Å; V1043-V1048 HydrophobicContact CG2-CB 4.39Å; V1043-V1048 HydrophobicContact CG2-CG1 4.33Å; V1043-V1048 PolarHBondContact O-N 3.43Å; E1046-V1048 HydrophobicContact CB-CG2 3.93Å; E1046-V1048 PolarHBondContact O-N 3.46Å; E1046-V1048 VanDerWaalsContact O-N 3.09Å; V1048-I1050 WeakPolarHBondContact CG1-O 3.26Å; V1048-I1051 HydrophobicContact CG1-CG1 4.02Å; V1048-P1160 HydrophobicContact CG2-CG 4.14Å; V1048-L1162 HydrophobicContact CG1-CB 3.61Å; V1048-L1162 HydrophobicContact CG1-CD1 4.29Å; V1048-L1162 HydrophobicContact CG2-CB 4.31Å
1049S95Very high95.3Very high23 Ų2321 Ų2116%0.16111%0.109CC..  trans-91.1-14.2177.7-60.70000112.9D1047 W1116D1047-S1049 PolarHBondContact O-N 3.46Å; D1047-S1049 PolarHBondContact O-OG 3.47Å; S1049-W1116 PolarHBondContact O-N 2.78Å
1050I97.6Very high94.5Very high3 Ų324.5 Ų24.52%0.01513%0.133CC..EExtended strand (participates in β ladder)trans-138.1129.9-175-52.8179.1000110.3V1048 W1116 L1118 V1145 R1146 T1149 V1161 L1162V1048-I1050 WeakPolarHBondContact CG1-O 3.26Å; I1050-W1116 CarbonylContact C-O 3.59Å; I1050-W1116 WeakPolarHBondContact CA-O 3.42Å; I1050-L1118 HydrophobicContact CG2-CD1 4.15Å; I1050-V1145 HydrophobicContact CD1-CB 4.1Å; I1050-V1145 HydrophobicContact CD1-CG1 3.67Å; I1050-V1145 HydrophobicContact CG1-CG1 3.85Å; I1050-R1146 VanDerWaalsContact CD1-CA 3.41Å; I1050-R1146 HydrophobicContact CD1-CB 3.86Å; I1050-R1146 HydrophobicContact CD1-CG 4.48Å; I1050-R1146 VanDerWaalsContact CD1-N 3.33Å; I1050-T1149 HydrophobicContact CD1-CG2 4.23Å; I1050-T1149 HydrophobicContact CG1-CG2 4.11Å; I1050-V1161 HydrophobicContact CB-CG1 4.13Å; I1050-V1161 HydrophobicContact CB-CG2 4.08Å; I1050-V1161 HydrophobicContact CD1-CG2 4.19Å; I1050-V1161 HydrophobicContact CG2-CG1 3.93Å; I1050-V1161 HydrophobicContact CG2-CG2 4.49Å; I1050-L1162 PolarHBondContact O-N 3.03Å
1051I98.6Very high93.8Very high0 Ų027.4 Ų27.40%016%0.164CC..EExtended strand (participates in β ladder)trans-118.3119.7172.8-56.7174.5000108.4F1039 W1040 V1043 V1048 Y1068 V1115 W1116 H1117 L1118 L1162F1039-I1051 HydrophobicContact CE1-CD1 4.12Å; F1039-I1051 HydrophobicContact CZ-CD1 4.45Å; F1039-I1051 HydrophobicContact CZ-CG2 4.39Å; W1040-I1051 HydrophobicContact CH2-CD1 4.13Å; W1040-I1051 HydrophobicContact CZ3-CD1 4.2Å; V1043-I1051 HydrophobicContact CG1-CD1 4.47Å; V1043-I1051 HydrophobicContact CG2-CD1 3.91Å; V1043-I1051 HydrophobicContact CG2-CG1 4.47Å; V1048-I1051 HydrophobicContact CG1-CG1 4.02Å; I1051-Y1068 HydrophobicContact CD1-CE2 4.44Å; I1051-Y1068 WeakPolarHBondContact CG2-OH 3.27Å; I1051-V1115 HydrophobicContact CD1-CG1 3.7Å; I1051-V1115 HydrophobicContact CG1-CG1 3.77Å; I1051-W1116 PolarHBondContact N-O 3.01Å; I1051-H1117 CarbonylContact O-C 3.57Å; I1051-H1117 WeakPolarHBondContact O-CA 3.3Å; I1051-L1118 PolarHBondContact O-N 3.01Å; I1051-L1162 CarbonylContact C-O 3.54Å; I1051-L1162 WeakPolarHBondContact CA-O 3.39Å; I1051-L1162 HydrophobicContact CG1-CB 4.41Å; I1051-L1162 HydrophobicContact CG1-CD1 4.29Å; I1051-L1162 HydrophobicContact CG2-CD2 4.38Å
1052A98.3Very high93.2Very high0 Ų035.8 Ų35.80%020%0.195CC..EExtended strand (participates in β ladder)trans-102103.9174.600000109.3L1118 Y1138 V1161 L1162 V1163 H1164A1052-L1118 WeakPolarHBondContact CA-O 3.22Å; A1052-Y1138 WeakPolarHBondContact CB-OH 3.36Å; A1052-V1161 HydrophobicContact CB-CG1 4.49Å; A1052-L1162 PolarHBondContact N-O 3.24Å; A1052-V1163 HydrophobicContact CB-CB 4.45Å; A1052-V1163 HydrophobicContact CB-CG1 4.23Å; A1052-V1163 HydrophobicContact CB-CG2 4.19Å; A1052-V1163 WeakPolarHBondContact O-CA 3.32Å; A1052-H1164 PolarHBondContact O-N 2.93Å
1053M98.1Very high93Very high0 Ų040.2 Ų40.20%022%0.216CC..EExtended strand (participates in β ladder)trans-96.5120.5177.8177.8170-173.600109.7T1055 W1069 L1118 Q1119 Y1120 H1164M1053-T1055 HydrophobicContact CE-CG2 3.69Å; M1053-T1055 WeakPolarHBondContact CE-O 3.41Å; M1053-T1055 HydrophobicContact CG-CG2 4.08Å; M1053-W1069 HydrophobicContact CE-CH2 3.78Å; M1053-W1069 HydrophobicContact CE-CZ3 4.14Å; M1053-W1069 HydrophobicContact SD-CH2 3.35Å; M1053-W1069 WeakPolarHBondContact SD-CH2 3.37Å; M1053-W1069 HydrophobicContact SD-CZ2 4.12Å; M1053-W1069 HydrophobicContact SD-CZ3 3.75Å; M1053-L1118 PolarHBondContact N-O 3.23Å; M1053-Q1119 HydrophobicContact CB-CB 4.3Å; M1053-Q1119 HydrophobicContact CB-CG 4.23Å; M1053-Q1119 HydrophobicContact CG-CG 4.03Å; M1053-Q1119 CarbonylContact O-C 3.55Å; M1053-Q1119 WeakPolarHBondContact O-CA 3.45Å; M1053-Q1119 HydrophobicContact SD-CG 4.13Å; M1053-Y1120 PolarHBondContact O-N 3.12Å; M1053-H1164 WeakPolarHBondContact CB-NE2 3.38Å; M1053-H1164 VanDerWaalsContact CG-CE1 3.48Å; M1053-H1164 WeakPolarHBondContact CG-CE1 3.37Å; M1053-H1164 WeakPolarHBondContact CG-NE2 3.38Å
1054V96.5Very high92.8Very high0 Ų042.6 Ų42.60%023%0.226CC..  trans-115.948.1-171.5-156.90000110.7Y1120 W1123 V1163 H1164 C1165 R1171 V1175V1054-Y1120 HydrophobicContact CG1-CD1 4.39Å; V1054-W1123 HydrophobicContact CG1-CE3 3.63Å; V1054-W1123 HydrophobicContact CG1-CZ3 3.8Å; V1054-V1163 HydrophobicContact CG2-CG1 4.04Å; V1054-H1164 PolarHBondContact N-O 3.19Å; V1054-C1165 HydrophobicContact CB-CB 4.35Å; V1054-R1171 HydrophobicContact CB-CB 4.12Å; V1054-R1171 HydrophobicContact CG1-CB 3.83Å; V1054-R1171 WeakPolarHBondContact O-CD 3.22Å; V1054-V1175 HydrophobicContact CB-CG2 4.46Å; V1054-V1175 HydrophobicContact CG1-CG2 3.82Å; V1054-V1175 HydrophobicContact CG2-CB 4.36Å; V1054-V1175 HydrophobicContact CG2-CG2 3.75Å
1055T93.2Very high92.8Very high1 Ų141.8 Ų41.81%0.00622%0.223CC..SBendtrans-171.2158.8-173-162.10000109.8M1053 E1059 K1064 Q1119 R1171M1053-T1055 HydrophobicContact CE-CG2 3.69Å; M1053-T1055 WeakPolarHBondContact CE-O 3.41Å; M1053-T1055 HydrophobicContact CG-CG2 4.08Å; T1055-E1059 WeakPolarHBondContact CA-OE1 3.4Å; T1055-E1059 WeakPolarHBondContact CB-OE1 3.45Å; T1055-E1059 PolarHBondContact OG1-OE1 3.24Å; T1055-K1064 HydrophobicContact CG2-CB 4.44Å; T1055-K1064 WeakPolarHBondContact OG1-CB 3.24Å; T1055-Q1119 PolarHBondContact O-NE2 2.83Å; T1055-R1171 PolarHBondContact OG1-NH1 2.78Å; T1055-R1171 VanDerWaalsContact OG1-NH1 3.16Å
1056A91.6Very high92.8Very high40 Ų4040.2 Ų40.233%0.33122%0.219SC..  trans-79.5176.8163.500000111.1E1058 E1059A1056-E1058 VanDerWaalsContact C-N 3.29Å; A1056-E1059 HydrophobicContact CB-CG 3.91Å; A1056-E1059 PolarHBondContact N-OE1 2.82Å
1057E90.9Very high92.7Very high42 Ų4240 Ų4020%0.19622%0.215CC..SBendtrans-64.5-39.8169.2-75.2151.9-106.300110.8K1064 S1065 R1067 W1069 R1071E1057-K1064 PolarHBondContact O-N 3.02Å; E1057-S1065 WeakPolarHBondContact CA-O 3.39Å; E1057-S1065 PolarHBondContact O-N 2.67Å; E1057-S1065 VanDerWaalsContact O-N 3.12Å; E1057-R1067 VanDerWaalsContact CD-CD 3.47Å; E1057-R1067 HydrophobicContact CG-CB 4.22Å; E1057-R1067 IonicContact OE1-CZ 3.84Å; E1057-R1067 IonicContact OE1-NH1 3.85Å; E1057-R1067 PolarHBondContact OE1-NH1 2.68Å; E1057-R1067 VanDerWaalsContact OE2-CB 3.27Å; E1057-R1067 WeakPolarHBondContact OE2-CB 3.43Å; E1057-R1067 VanDerWaalsContact OE2-CD 3.29Å; E1057-R1067 WeakPolarHBondContact OE2-CD 3.33Å; E1057-R1067 VanDerWaalsContact OE2-CG 3.23Å; E1057-R1067 WeakPolarHBondContact OE2-CG 3.26Å; E1057-R1067 IonicContact OE2-NH1 2.68Å; E1057-W1069 HydrophobicContact CG-CH2 4.31Å; E1057-R1071 IonicContact OE1-CZ 3.85Å; E1057-R1071 IonicContact OE1-NH2 3.52Å; E1057-R1071 PolarHBondContact OE1-NH2 2.82Å; E1057-R1071 IonicContact OE2-CZ 3.33Å; E1057-R1071 IonicContact OE2-NE 2.95Å; E1057-R1071 IonicContact OE2-NH2 2.74Å; E1057-R1071 PolarHBondContact OE2-NH2 2.7Å
1058E90.4Very high92.8Very high123 Ų12337.7 Ų37.758%0.57520%0.203SC*.EExtended strand (participates in β ladder)trans-145.7139.5-173-170.4-178.4159.200109A1056 G1061 R1062A1056-E1058 VanDerWaalsContact C-N 3.29Å; E1058-G1061 WeakPolarHBondContact OE1-CA 3.36Å; E1058-R1062 WeakPolarHBondContact CA-O 3.1Å
1059E86.3Confident92.8Very high9 Ų937.7 Ų37.74%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-145.6131.6-174.8-71.8169.1-154.900107.3T1055 A1056 G1061 R1062 K1064 D1125 R1171T1055-E1059 WeakPolarHBondContact CA-OE1 3.4Å; T1055-E1059 WeakPolarHBondContact CB-OE1 3.45Å; T1055-E1059 PolarHBondContact OG1-OE1 3.24Å; A1056-E1059 HydrophobicContact CB-CG 3.91Å; A1056-E1059 PolarHBondContact N-OE1 2.82Å; E1059-G1061 PolarHBondContact O-N 2.98Å; E1059-R1062 PolarHBondContact N-O 2.81Å; E1059-R1062 VanDerWaalsContact N-O 3.09Å; E1059-R1062 PolarHBondContact O-N 3.45Å; E1059-K1064 HydrophobicContact CB-CD 4.33Å; E1059-K1064 VanDerWaalsContact CB-CE 3.41Å; E1059-K1064 HydrophobicContact CB-CG 3.85Å; E1059-K1064 HydrophobicContact CG-CG 3.89Å; E1059-K1064 VanDerWaalsContact OE2-CE 3.27Å; E1059-K1064 WeakPolarHBondContact OE2-CE 3.45Å; E1059-K1064 IonicContact OE2-NZ 3.13Å; E1059-D1125 VanDerWaalsContact CB-OD1 3.24Å; E1059-D1125 WeakPolarHBondContact CB-OD1 3.43Å; E1059-R1171 IonicContact OE1-CZ 2.72Å; E1059-R1171 IonicContact OE1-NH1 2.81Å; E1059-R1171 PolarHBondContact OE1-NH1 3.39Å; E1059-R1171 IonicContact OE1-NH2 3.25Å; E1059-R1171 IonicContact OE2-CZ 2.77Å; E1059-R1171 VanDerWaalsContact OE2-CZ 3.25Å; E1059-R1171 IonicContact OE2-NH1 3.01Å; E1059-R1171 PolarHBondContact OE2-NH1 2.92Å; E1059-R1171 IonicContact OE2-NH2 3.64Å; E1059-R1171 PolarHBondContact OE2-NH2 2.76Å
1060S82.3Confident92.7Very high76 Ų7637.1 Ų37.153%0.53120%0.198SC..THydrogen-bonded Turntrans46.141.5-171.5-72.30000114.2R1062 D1125S1060-R1062 VanDerWaalsContact C-N 3.28Å; S1060-R1062 PolarHBondContact O-N 2.71Å; S1060-D1125 WeakPolarHBondContact CA-OD2 3.45Å; S1060-D1125 WeakPolarHBondContact CB-OD2 3.28Å; S1060-D1125 PolarHBondContact N-OD2 2.85Å; S1060-D1125 PolarHBondContact OG-OD2 2.81Å
1061G81.4Confident92.1Very high62 Ų6243.7 Ų43.764%0.63922%0.223SC*.THydrogen-bonded Turntrans69.119.2-179.100000114.9E1058 E1059E1058-G1061 WeakPolarHBondContact OE1-CA 3.36Å; E1059-G1061 PolarHBondContact O-N 2.98Å
1062R86.3Confident91.3Very high182 Ų18248 Ų4869%0.68725%0.246SC*.EExtended strand (participates in β ladder)trans-125.5124.8-178.6-58.6-176.9-169.6-172.73.6110.9E1058 E1059 S1060 K1064E1058-R1062 WeakPolarHBondContact CA-O 3.1Å; E1059-R1062 PolarHBondContact N-O 2.81Å; E1059-R1062 VanDerWaalsContact N-O 3.09Å; E1059-R1062 PolarHBondContact O-N 3.45Å; S1060-R1062 VanDerWaalsContact C-N 3.28Å; S1060-R1062 PolarHBondContact O-N 2.71Å; R1062-K1064 PolarHBondContact O-N 3.35Å
1063E91.8Very high89.8Confident93 Ų9351.6 Ų51.644%0.43528%0.283SS..EExtended strand (participates in β ladder)trans-61119177.2-164-146.910800110.8R984 C1066R984-E1063 IonicContact CZ-OE1 2.73Å; R984-E1063 PolarHBondContact NH1-O 2.72Å; R984-E1063 IonicContact NH1-OE1 3.75Å; R984-E1063 PolarHBondContact NH1-OE1 3.2Å; R984-E1063 IonicContact NH2-OE1 3.37Å; R984-E1063 PolarHBondContact NH2-OE1 3.09Å; E1063-C1066 PolarHBondContact OE1-N 2.85Å
1064K94.5Very high88.6Confident53 Ų5354 Ų5423%0.2330%0.299CS..SBendtrans-95.6-34.9175-59.4-61.9-175.9168.30111.6R984 T1055 E1057 E1059 R1062 S1166R984-K1064 VanDerWaalsContact CZ-O 3.25Å; R984-K1064 PolarHBondContact NE-O 3.29Å; T1055-K1064 HydrophobicContact CG2-CB 4.44Å; T1055-K1064 WeakPolarHBondContact OG1-CB 3.24Å; E1057-K1064 PolarHBondContact O-N 3.02Å; E1059-K1064 HydrophobicContact CB-CD 4.33Å; E1059-K1064 VanDerWaalsContact CB-CE 3.41Å; E1059-K1064 HydrophobicContact CB-CG 3.85Å; E1059-K1064 HydrophobicContact CG-CG 3.89Å; E1059-K1064 VanDerWaalsContact OE2-CE 3.27Å; E1059-K1064 WeakPolarHBondContact OE2-CE 3.45Å; E1059-K1064 IonicContact OE2-NZ 3.13Å; R1062-K1064 PolarHBondContact O-N 3.35Å; K1064-S1166 WeakPolarHBondContact CA-OG 3.44Å; K1064-S1166 WeakPolarHBondContact O-CA 3.39Å; K1064-S1166 WeakPolarHBondContact O-CB 3.32Å; K1064-S1166 PolarHBondContact O-OG 3.34Å
1065S96.3Very high87.2Confident1 Ų165.6 Ų65.61%0.00734%0.343CS..SBendtrans-155.1130.5178.6-179.90000110.3P1031 E1057P1031-S1065 WeakPolarHBondContact CD-OG 3.44Å; E1057-S1065 WeakPolarHBondContact CA-O 3.39Å; E1057-S1065 PolarHBondContact O-N 2.67Å; E1057-S1065 VanDerWaalsContact O-N 3.12Å
1066C95.4Very high86.2Confident28 Ų2872.5 Ų72.519%0.18938%0.375CS..  trans-58.6149.8167.8-178.60000110.7P1031 E1063 Y1068P1031-C1066 WeakPolarHBondContact O-CB 3.3Å; P1031-C1066 PolarHBondContact O-N 3.32Å; E1063-C1066 PolarHBondContact OE1-N 2.85Å; C1066-Y1068 VanDerWaalsContact C-N 3.31Å; C1066-Y1068 WeakPolarHBondContact O-CD1 3.29Å; C1066-Y1068 PolarHBondContact O-N 2.99Å
1067R93.4Very high85.9Confident53 Ų5373.8 Ų73.820%0.238%0.376CS..  trans-78.274.6179.3-172.648-176.6-129.518.6111.8E1057 W1069 Y1081E1057-R1067 VanDerWaalsContact CD-CD 3.47Å; E1057-R1067 HydrophobicContact CG-CB 4.22Å; E1057-R1067 IonicContact OE1-CZ 3.84Å; E1057-R1067 IonicContact OE1-NH1 3.85Å; E1057-R1067 PolarHBondContact OE1-NH1 2.68Å; E1057-R1067 VanDerWaalsContact OE2-CB 3.27Å; E1057-R1067 WeakPolarHBondContact OE2-CB 3.43Å; E1057-R1067 VanDerWaalsContact OE2-CD 3.29Å; E1057-R1067 WeakPolarHBondContact OE2-CD 3.33Å; E1057-R1067 VanDerWaalsContact OE2-CG 3.23Å; E1057-R1067 WeakPolarHBondContact OE2-CG 3.26Å; E1057-R1067 IonicContact OE2-NH1 2.68Å; R1067-W1069 WeakPolarHBondContact CD-O 3.13Å; R1067-W1069 PolarHBondContact NE-O 2.82Å; R1067-W1069 VanDerWaalsContact NH2-CE2 3.27Å; R1067-W1069 PolarHBondContact O-N 2.91Å; R1067-W1069 VanDerWaalsContact O-N 3.1Å; R1067-Y1081 PolarHBondContact O-OH 2.94Å; R1067-Y1081 VanDerWaalsContact O-OH 3.09Å
1068Y95.6Very high85.9Confident0 Ų073.9 Ų73.90%038%0.38CS..  trans-73.17.6-176.966.1-95.2000115.3P1031 F1039 W1040 I1051 C1066 Y1081 H1117 H1164P1031-Y1068 HydrophobicContact CB-CD1 4.13Å; P1031-Y1068 HydrophobicContact CG-CD1 3.62Å; P1031-Y1068 HydrophobicContact CG-CE1 4.02Å; P1031-Y1068 HydrophobicContact CG-CG 4.19Å; F1039-Y1068 AromaticContact CD1-CD2 3.95Å; F1039-Y1068 HydrophobicContact CD1-CD2 3.95Å; F1039-Y1068 HydrophobicContact CD1-CE2 4.13Å; F1039-Y1068 HydrophobicContact CD1-CG 4.3Å; F1039-Y1068 AromaticContact CE1-CD2 3.66Å; F1039-Y1068 HydrophobicContact CE1-CD2 3.66Å; F1039-Y1068 HydrophobicContact CE1-CE1 4.28Å; F1039-Y1068 AromaticContact CE1-CE2 3.37Å; F1039-Y1068 HydrophobicContact CE1-CE2 3.37Å; F1039-Y1068 HydrophobicContact CE1-CG 4.25Å; F1039-Y1068 AromaticContact CE1-CZ 3.69Å; F1039-Y1068 HydrophobicContact CZ-CE1 4.35Å; F1039-Y1068 HydrophobicContact CZ-CE2 4.03Å; F1039-Y1068 AromaticContact CZ-CZ 3.88Å; W1040-Y1068 AromaticContact CE2-CD2 3.84Å; W1040-Y1068 AromaticContact CZ2-CD2 3.64Å; W1040-Y1068 HydrophobicContact CZ2-CD2 3.64Å; W1040-Y1068 HydrophobicContact CZ2-CE2 4.02Å; W1040-Y1068 AromaticContact NE1-CD2 3.79Å; W1040-Y1068 PolarHBondContact NE1-O 3.46Å; I1051-Y1068 HydrophobicContact CD1-CE2 4.44Å; I1051-Y1068 WeakPolarHBondContact CG2-OH 3.27Å; C1066-Y1068 VanDerWaalsContact C-N 3.31Å; C1066-Y1068 WeakPolarHBondContact O-CD1 3.29Å; C1066-Y1068 PolarHBondContact O-N 2.99Å; Y1068-Y1081 WeakPolarHBondContact CA-OH 3.43Å; Y1068-Y1081 WeakPolarHBondContact O-CE2 3.39Å; Y1068-H1117 AromaticContact CE2-CD2 3.91Å; Y1068-H1117 AromaticContact CZ-CD2 3.85Å; Y1068-H1117 AromaticContact CZ-NE2 3.66Å; Y1068-H1117 PolarHBondContact OH-CD2 3.39Å; Y1068-H1117 VanDerWaalsContact OH-CD2 3.25Å; Y1068-H1117 PolarHBondContact OH-NE2 3.11Å; Y1068-H1117 VanDerWaalsContact OH-NE2 3.13Å; Y1068-H1164 AromaticContact CE1-CE1 3.78Å; Y1068-H1164 AromaticContact CE1-NE2 3.45Å; Y1068-H1164 WeakPolarHBondContact CE1-NE2 3.23Å; Y1068-H1164 AromaticContact CZ-NE2 3.53Å; Y1068-H1164 PolarHBondContact OH-CD2 2.77Å; Y1068-H1164 PolarHBondContact OH-NE2 3.38Å
1069W95.3Very high86.1Confident2 Ų270 Ų701%0.00836%0.364CS..SBendtrans-142.5144179.173.3112000112.4W1040 M1053 E1057 R1067 L1102 H1117W1040-W1069 HydrophobicContact CZ2-CB 4.38Å; M1053-W1069 HydrophobicContact CE-CH2 3.78Å; M1053-W1069 HydrophobicContact CE-CZ3 4.14Å; M1053-W1069 HydrophobicContact SD-CH2 3.35Å; M1053-W1069 WeakPolarHBondContact SD-CH2 3.37Å; M1053-W1069 HydrophobicContact SD-CZ2 4.12Å; M1053-W1069 HydrophobicContact SD-CZ3 3.75Å; E1057-W1069 HydrophobicContact CG-CH2 4.31Å; R1067-W1069 WeakPolarHBondContact CD-O 3.13Å; R1067-W1069 PolarHBondContact NE-O 2.82Å; R1067-W1069 VanDerWaalsContact NH2-CE2 3.27Å; R1067-W1069 PolarHBondContact O-N 2.91Å; R1067-W1069 VanDerWaalsContact O-N 3.1Å; W1069-L1102 HydrophobicContact CB-CD1 3.86Å; W1069-L1102 HydrophobicContact CB-CD2 4.27Å; W1069-L1102 HydrophobicContact CG-CD1 4.27Å; W1069-H1117 AromaticContact CD2-CE1 3.99Å; W1069-H1117 AromaticContact CD2-NE2 3.62Å; W1069-H1117 AromaticContact CE2-CE1 3.39Å; W1069-H1117 AromaticContact CE2-NE2 3.51Å; W1069-H1117 AromaticContact CE3-NE2 3.75Å; W1069-H1117 AromaticContact CH2-CE1 3.95Å; W1069-H1117 AromaticContact CH2-NE2 3.89Å; W1069-H1117 AromaticContact CZ2-CE1 3.39Å; W1069-H1117 WeakPolarHBondContact CZ2-CE1 3.39Å; W1069-H1117 AromaticContact CZ2-NE2 3.68Å; W1069-H1117 AromaticContact CZ3-NE2 3.89Å; W1069-H1117 AromaticContact NE1-CE1 3.66Å; W1069-H1117 AromaticContact NE1-ND1 3.89Å
1070P92.6Very high86.4Confident11 Ų1173.3 Ų73.37%0.07139%0.385CS..PPolyproline II helixtrans-77141.6-168.327.9-27.5000112.1N1077 V1079 T1088P1070-N1077 VanDerWaalsContact CG-O 3.32Å; P1070-N1077 WeakPolarHBondContact CG-O 3.44Å; P1070-V1079 HydrophobicContact CB-CB 4.39Å; P1070-V1079 HydrophobicContact CB-CG1 4.06Å; P1070-V1079 HydrophobicContact CG-CG1 3.88Å; P1070-T1088 WeakPolarHBondContact CD-OG1 3.5Å; P1070-T1088 WeakPolarHBondContact CG-OG1 3.48Å; P1070-T1088 WeakPolarHBondContact O-CB 2.95Å; P1070-T1088 PolarHBondContact O-OG1 2.79Å
1071R85.5Confident87Confident141 Ų14171.7 Ų71.753%0.53237%0.368SS..PPolyproline II helixtrans-69.7132.1178-69179.1179.1-122.22.1110.7E1057 S1074E1057-R1071 IonicContact OE1-CZ 3.85Å; E1057-R1071 IonicContact OE1-NH2 3.52Å; E1057-R1071 PolarHBondContact OE1-NH2 2.82Å; E1057-R1071 IonicContact OE2-CZ 3.33Å; E1057-R1071 IonicContact OE2-NE 2.95Å; E1057-R1071 IonicContact OE2-NH2 2.74Å; E1057-R1071 PolarHBondContact OE2-NH2 2.7Å; R1071-S1074 WeakPolarHBondContact O-CB 3.36Å; R1071-S1074 PolarHBondContact O-N 2.85Å; R1071-S1074 PolarHBondContact O-OG 3.08Å
1072L81.6Confident87.5Confident91 Ų9171.4 Ų71.448%0.47637%0.365SS..THydrogen-bonded Turntrans-59.6144.1176-174.867000110.1S1074 T1088 R1091L1072-S1074 PolarHBondContact O-N 3.35Å; L1072-S1074 VanDerWaalsContact O-N 3.17Å; L1072-T1088 HydrophobicContact CB-CG2 4.08Å; L1072-T1088 HydrophobicContact CD1-CG2 4.09Å; L1072-R1091 HydrophobicContact CD2-CB 4.04Å
1073G67.1Low87.8Confident76 Ų7666.6 Ų66.678%0.78435%0.347SS*.THydrogen-bonded Turntrans76.4-10179.600000116.1
1074S73.6Confident88Confident50 Ų5062.2 Ų62.235%0.3533%0.327SS..SBendtrans-62.2159.1173.465.80000112.6R1071 L1072 H1076R1071-S1074 WeakPolarHBondContact O-CB 3.36Å; R1071-S1074 PolarHBondContact O-N 2.85Å; R1071-S1074 PolarHBondContact O-OG 3.08Å; L1072-S1074 PolarHBondContact O-N 3.35Å; L1072-S1074 VanDerWaalsContact O-N 3.17Å; S1074-H1076 PolarHBondContact O-N 2.68Å; S1074-H1076 VanDerWaalsContact O-N 3.12Å; S1074-H1076 VanDerWaalsContact OG-C 3.31Å; S1074-H1076 PolarHBondContact OG-O 2.87Å
1075R66.1Low88.1Confident243 Ų24364.3 Ų64.392%0.91733%0.333SS*.THydrogen-bonded Turntrans-57.4-26.1176-69.4-173.2-177.9-173.52.8112.8
1076H72.9Confident88.1Confident146 Ų14664.3 Ų64.368%0.67633%0.333SS*.THydrogen-bonded Turntrans-12879.5178.9-54.3-74.8000108.8S1074 T1078S1074-H1076 PolarHBondContact O-N 2.68Å; S1074-H1076 VanDerWaalsContact O-N 3.12Å; S1074-H1076 VanDerWaalsContact OG-C 3.31Å; S1074-H1076 PolarHBondContact OG-O 2.87Å; H1076-T1078 PolarHBondContact O-N 3.23Å
1077N85.6Confident88.1Confident67 Ų6763.6 Ų63.636%0.35833%0.328SS..SBendtrans-65.510.317478.9-37.3000114P1070 T1087 T1088P1070-N1077 VanDerWaalsContact CG-O 3.32Å; P1070-N1077 WeakPolarHBondContact CG-O 3.44Å; N1077-T1087 WeakPolarHBondContact O-CA 3.32Å; N1077-T1088 PolarHBondContact ND2-O 2.87Å; N1077-T1088 PolarHBondContact O-N 2.79Å
1078T90.1Very high88.2Confident44 Ų4461.2 Ų61.227%0.2732%0.319SS..EExtended strand (participates in β ladder)trans-139.2130.7-172.1-54.10000108.1H1076 R1085 I1086H1076-T1078 PolarHBondContact O-N 3.23Å; T1078-R1085 HydrophobicContact CG2-CG 3.44Å; T1078-R1085 VanDerWaalsContact CG2-CG 3.44Å; T1078-I1086 CarbonylContact C-O 3.1Å; T1078-I1086 VanDerWaalsContact CA-O 3.23Å; T1078-I1086 WeakPolarHBondContact CA-O 3.09Å
1079V93.8Very high88.1Confident41 Ų4168.2 Ų68.225%0.24835%0.345CS..EExtended strand (participates in β ladder)trans-132.7158177.563.20000108.9P1070 Y1081 R1085 I1086P1070-V1079 HydrophobicContact CB-CB 4.39Å; P1070-V1079 HydrophobicContact CB-CG1 4.06Å; P1070-V1079 HydrophobicContact CG-CG1 3.88Å; V1079-Y1081 HydrophobicContact CB-CE2 4.28Å; V1079-Y1081 HydrophobicContact CG1-CD2 4.19Å; V1079-Y1081 HydrophobicContact CG1-CE2 3.38Å; V1079-Y1081 HydrophobicContact CG2-CE1 4.28Å; V1079-Y1081 HydrophobicContact CG2-CE2 3.89Å; V1079-R1085 CarbonylContact O-C 3.58Å; V1079-R1085 WeakPolarHBondContact O-CA 3.41Å; V1079-I1086 HydrophobicContact CG1-CB 4.08Å; V1079-I1086 PolarHBondContact N-O 2.91Å; V1079-I1086 PolarHBondContact O-N 2.79Å
1080T94.3Very high87.9Confident79 Ų7972 Ų7249%0.48536%0.362SS..EExtended strand (participates in β ladder)trans-126.5126.4179.7-50.70000109.7G1082 F1084 R1085T1080-G1082 WeakPolarHBondContact CG2-O 3.46Å; T1080-F1084 CarbonylContact C-O 3.58Å; T1080-F1084 WeakPolarHBondContact CA-O 3.11Å; T1080-R1085 HydrophobicContact CG2-CB 4.41Å
1081Y94Very high88Confident43 Ų4375.1 Ų75.117%0.16937%0.372CS..EExtended strand (participates in β ladder)trans-116.8111.2173.1-58.1-79000108.3C1036 W1040 R1067 Y1068 V1079 R1083 F1084 I1086C1036-Y1081 HydrophobicContact CB-CD1 3.53Å; C1036-Y1081 HydrophobicContact CB-CE1 3.73Å; C1036-Y1081 HydrophobicContact CB-CG 4.17Å; W1040-Y1081 AromaticContact CD1-CD2 3.33Å; W1040-Y1081 AromaticContact CD1-CE2 4Å; W1040-Y1081 AromaticContact CD1-CG 3.86Å; W1040-Y1081 HydrophobicContact CG-CD2 4.39Å; W1040-Y1081 AromaticContact NE1-CD2 3.5Å; W1040-Y1081 AromaticContact NE1-CE2 3.7Å; R1067-Y1081 PolarHBondContact O-OH 2.94Å; R1067-Y1081 VanDerWaalsContact O-OH 3.09Å; Y1068-Y1081 WeakPolarHBondContact CA-OH 3.43Å; Y1068-Y1081 WeakPolarHBondContact O-CE2 3.39Å; V1079-Y1081 HydrophobicContact CB-CE2 4.28Å; V1079-Y1081 HydrophobicContact CG1-CD2 4.19Å; V1079-Y1081 HydrophobicContact CG1-CE2 3.38Å; V1079-Y1081 HydrophobicContact CG2-CE1 4.28Å; V1079-Y1081 HydrophobicContact CG2-CE2 3.89Å; Y1081-R1083 PolarHBondContact O-N 2.95Å; Y1081-R1083 VanDerWaalsContact O-N 3.11Å; Y1081-F1084 PolarHBondContact N-O 2.97Å; Y1081-F1084 PolarHBondContact O-N 2.68Å; Y1081-I1086 HydrophobicContact CD2-CG1 4.03Å; Y1081-I1086 HydrophobicContact CE2-CG1 4.39Å
1082G91.5Very high88.3Confident56 Ų5672.1 Ų72.158%0.57737%0.37SS*.THydrogen-bonded Turntrans50.9-116.5-171.300000112.2T1080T1080-G1082 WeakPolarHBondContact CG2-O 3.46Å
1083R93.4Very high88.8Confident81 Ų8174.2 Ų74.231%0.30638%0.377SS..THydrogen-bonded Turntrans-86.50.4-179.555.6-173.1158.4151.20.7115.2E1045 Y1081 V1107 P1108E1045-R1083 IonicContact OE1-CZ 2.63Å; E1045-R1083 IonicContact OE1-NH1 3.65Å; E1045-R1083 IonicContact OE1-NH2 2.79Å; E1045-R1083 PolarHBondContact OE1-NH2 3.27Å; Y1081-R1083 PolarHBondContact O-N 2.95Å; Y1081-R1083 VanDerWaalsContact O-N 3.11Å; R1083-V1107 PolarHBondContact O-N 2.88Å; R1083-P1108 HydrophobicContact CB-CG 4.05Å
1084F96.3Very high89.8Confident1 Ų173.1 Ų73.10%0.00436%0.358CS..EExtended strand (participates in β ladder)trans-115.1122.3-173.7-56.7-69.1000112.6W1040 Q1041 W1044 T1080 Y1081 I1086 I1104 K1105 N1106W1040-F1084 HydrophobicContact CB-CB 4.1Å; W1040-F1084 HydrophobicContact CB-CD2 4.02Å; W1040-F1084 HydrophobicContact CB-CG 4.27Å; Q1041-F1084 HydrophobicContact CB-CE2 3.76Å; Q1041-F1084 HydrophobicContact CB-CZ 4.45Å; Q1041-F1084 HydrophobicContact CG-CE2 4.35Å; W1044-F1084 HydrophobicContact CB-CD1 4.17Å; W1044-F1084 HydrophobicContact CB-CE1 3.49Å; W1044-F1084 VanDerWaalsContact CB-CE1 3.49Å; W1044-F1084 HydrophobicContact CB-CZ 3.7Å; W1044-F1084 AromaticContact CD1-CE1 3.68Å; W1044-F1084 AromaticContact CD1-CZ 4Å; W1044-F1084 HydrophobicContact CD2-CD1 4.15Å; W1044-F1084 AromaticContact CD2-CE1 3.62Å; W1044-F1084 HydrophobicContact CD2-CE1 3.62Å; W1044-F1084 HydrophobicContact CE3-CD1 4.32Å; W1044-F1084 HydrophobicContact CE3-CE1 4.24Å; W1044-F1084 HydrophobicContact CG-CD1 4.1Å; W1044-F1084 AromaticContact CG-CE1 3.25Å; W1044-F1084 HydrophobicContact CG-CE1 3.25Å; W1044-F1084 AromaticContact CG-CZ 3.79Å; W1044-F1084 HydrophobicContact CG-CZ 3.79Å; T1080-F1084 CarbonylContact C-O 3.58Å; T1080-F1084 WeakPolarHBondContact CA-O 3.11Å; Y1081-F1084 PolarHBondContact N-O 2.97Å; Y1081-F1084 PolarHBondContact O-N 2.68Å; F1084-I1086 HydrophobicContact CB-CD1 4.22Å; F1084-I1104 HydrophobicContact CB-CD1 3.98Å; F1084-I1104 HydrophobicContact CB-CG1 4.25Å; F1084-I1104 HydrophobicContact CD1-CD1 3.83Å; F1084-I1104 HydrophobicContact CD1-CG1 4.2Å; F1084-I1104 HydrophobicContact CG-CD1 4.03Å; F1084-K1105 WeakPolarHBondContact CA-O 3.42Å; F1084-N1106 HydrophobicContact CD1-CB 4.29Å; F1084-N1106 HydrophobicContact CE1-CB 4.15Å
1085R96Very high90.4Very high97 Ų9773.7 Ų73.737%0.36637%0.371SS..EExtended strand (participates in β ladder)trans-103113.7176.4-173.2172.572.3-160.63.5110.4T1078 V1079 T1080 K1105 V1107T1078-R1085 HydrophobicContact CG2-CG 3.44Å; T1078-R1085 VanDerWaalsContact CG2-CG 3.44Å; V1079-R1085 CarbonylContact O-C 3.58Å; V1079-R1085 WeakPolarHBondContact O-CA 3.41Å; T1080-R1085 HydrophobicContact CG2-CB 4.41Å; R1085-K1105 HydrophobicContact CB-CB 4.42Å; R1085-K1105 PolarHBondContact N-O 3.21Å; R1085-K1105 PolarHBondContact O-N 2.87Å; R1085-V1107 HydrophobicContact CB-CG2 3.71Å
1086I96.9Very high91.5Very high0 Ų062.8 Ų62.80%033%0.332CS..EExtended strand (participates in β ladder)trans-100.1126.5-174-45.6-55.7000109W1040 T1078 V1079 Y1081 F1084 L1102 K1103 I1104W1040-I1086 HydrophobicContact CD2-CD1 3.41Å; W1040-I1086 VanDerWaalsContact CD2-CD1 3.41Å; W1040-I1086 HydrophobicContact CD2-CG1 3.87Å; W1040-I1086 HydrophobicContact CE3-CD1 3.58Å; W1040-I1086 HydrophobicContact CE3-CG1 4.45Å; W1040-I1086 HydrophobicContact CG-CD1 3.87Å; W1040-I1086 HydrophobicContact CG-CG1 4.17Å; W1040-I1086 HydrophobicContact CH2-CD1 4.14Å; W1040-I1086 HydrophobicContact CH2-CG1 4.48Å; W1040-I1086 HydrophobicContact CH2-CG2 3.98Å; W1040-I1086 HydrophobicContact CZ2-CB 4.44Å; W1040-I1086 HydrophobicContact CZ2-CD1 4.01Å; W1040-I1086 HydrophobicContact CZ2-CG1 3.92Å; W1040-I1086 HydrophobicContact CZ2-CG2 3.71Å; W1040-I1086 HydrophobicContact CZ3-CD1 3.93Å; T1078-I1086 CarbonylContact C-O 3.1Å; T1078-I1086 VanDerWaalsContact CA-O 3.23Å; T1078-I1086 WeakPolarHBondContact CA-O 3.09Å; V1079-I1086 HydrophobicContact CG1-CB 4.08Å; V1079-I1086 PolarHBondContact N-O 2.91Å; V1079-I1086 PolarHBondContact O-N 2.79Å; Y1081-I1086 HydrophobicContact CD2-CG1 4.03Å; Y1081-I1086 HydrophobicContact CE2-CG1 4.39Å; F1084-I1086 HydrophobicContact CB-CD1 4.22Å; I1086-L1102 HydrophobicContact CG2-CD1 4.5Å; I1086-K1103 CarbonylContact C-O 3.59Å; I1086-I1104 HydrophobicContact CD1-CB 3.84Å; I1086-I1104 HydrophobicContact CD1-CD1 3.76Å; I1086-I1104 HydrophobicContact CD1-CG1 3.67Å
1087T94.9Very high92.6Very high14 Ų1456.7 Ų56.79%0.08630%0.303CS..EExtended strand (participates in β ladder)trans-122.6121.9179.2-48.10000110.3N1077 R1089 K1103N1077-T1087 WeakPolarHBondContact O-CA 3.32Å; T1087-R1089 PolarHBondContact O-N 3.01Å; T1087-K1103 PolarHBondContact N-O 3.1Å; T1087-K1103 PolarHBondContact O-N 2.63Å
1088T95.5Very high93Very high2 Ų253.6 Ų53.61%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-78.2124.5172.7-620000109.8P1070 L1072 N1077 T1100 L1102P1070-T1088 WeakPolarHBondContact CD-OG1 3.5Å; P1070-T1088 WeakPolarHBondContact CG-OG1 3.48Å; P1070-T1088 WeakPolarHBondContact O-CB 2.95Å; P1070-T1088 PolarHBondContact O-OG1 2.79Å; L1072-T1088 HydrophobicContact CB-CG2 4.08Å; L1072-T1088 HydrophobicContact CD1-CG2 4.09Å; N1077-T1088 PolarHBondContact ND2-O 2.87Å; N1077-T1088 PolarHBondContact O-N 2.79Å; T1088-T1100 HydrophobicContact CG2-CG2 3.8Å; T1088-L1102 HydrophobicContact CG2-CD2 4.25Å; T1088-L1102 WeakPolarHBondContact OG1-CD2 3.42Å
1089R92.9Very high93.4Very high147 Ų14751.6 Ų51.656%0.55528%0.275SS*.EExtended strand (participates in β ladder)trans-96-48-175.6-68.5-77.4160177.5-8.1112.1T1087 G1101 K1103T1087-R1089 PolarHBondContact O-N 3.01Å; R1089-G1101 WeakPolarHBondContact CB-O 3.25Å; R1089-G1101 PolarHBondContact N-O 3Å; R1089-K1103 HydrophobicContact CG-CB 4.06Å
1090F92.3Very high93.5Very high82 Ų8249.7 Ų49.736%0.3626%0.263SS..EExtended strand (participates in β ladder)trans-153.3164.7176.960.4-94.3000109.3G1101 W1116F1090-G1101 PolarHBondContact O-N 3.05Å; F1090-W1116 HydrophobicContact CE2-CE3 4.48Å; F1090-W1116 AromaticContact CE2-CZ3 3.91Å; F1090-W1116 HydrophobicContact CE2-CZ3 3.91Å; F1090-W1116 HydrophobicContact CZ-CE3 4.19Å; F1090-W1116 AromaticContact CZ-CH2 3.86Å; F1090-W1116 HydrophobicContact CZ-CH2 3.86Å; F1090-W1116 AromaticContact CZ-CZ3 3.58Å; F1090-W1116 HydrophobicContact CZ-CZ3 3.58Å
1091R93.4Very high93.6Very high77 Ų7746 Ų4629%0.29124%0.241SC..EExtended strand (participates in β ladder)trans-145.4135.4167.4-179.6166.7170.4-91-1.5107.8L1072 E1093 A1098 T1099 T1100L1072-R1091 HydrophobicContact CD2-CB 4.04Å; R1091-E1093 IonicContact CZ-OE1 3.27Å; R1091-E1093 IonicContact NH1-OE1 3.86Å; R1091-E1093 PolarHBondContact NH1-OE1 3.03Å; R1091-E1093 IonicContact NH1-OE2 3.09Å; R1091-E1093 PolarHBondContact NH1-OE2 3.01Å; R1091-E1093 IonicContact NH2-OE1 3.83Å; R1091-E1093 PolarHBondContact NH2-OE1 2.99Å; R1091-A1098 HydrophobicContact CG-CB 4.49Å; R1091-T1099 WeakPolarHBondContact CA-O 3.34Å; R1091-T1100 HydrophobicContact CB-CG2 4.26Å; R1091-T1100 WeakPolarHBondContact CD-OG1 3.41Å; R1091-T1100 WeakPolarHBondContact CG-OG1 3.44Å
1092T92.8Very high93.7Very high78 Ų7844 Ų4448%0.47923%0.233SC..EExtended strand (participates in β ladder)trans-114.3139.6174.1-52.10000107.1A1098 T1099T1092-A1098 CarbonylContact O-C 3.57Å; T1092-A1098 WeakPolarHBondContact O-CA 3.4Å; T1092-T1099 PolarHBondContact N-O 3.39Å; T1092-T1099 PolarHBondContact O-N 3.22Å
1093E91.6Very high93.9Very high134 Ų13443.7 Ų43.763%0.62622%0.216SC*.EExtended strand (participates in β ladder)trans-115.2132.4175-71.4174.6126.400108.7R1091 A1098R1091-E1093 IonicContact CZ-OE1 3.27Å; R1091-E1093 IonicContact NH1-OE1 3.86Å; R1091-E1093 PolarHBondContact NH1-OE1 3.03Å; R1091-E1093 IonicContact NH1-OE2 3.09Å; R1091-E1093 PolarHBondContact NH1-OE2 3.01Å; R1091-E1093 IonicContact NH2-OE1 3.83Å; R1091-E1093 PolarHBondContact NH2-OE1 2.99Å; E1093-A1098 HydrophobicContact CG-CB 3.9Å
1094S87.3Confident94.1Very high54 Ų5440 Ų4038%0.37820%0.202SC..  trans-114.919.2-175.4-58.60000111.9C1096 Y1097S1094-C1096 PolarHBondContact O-N 3.35Å; S1094-Y1097 VanDerWaalsContact CB-CZ 3.49Å; S1094-Y1097 PolarHBondContact N-O 2.85Å; S1094-Y1097 WeakPolarHBondContact OG-CE2 3.16Å
1095G87.1Confident94.1Very high62 Ų6240.8 Ų40.864%0.63921%0.205SC*.SBendtrans82-85.7-168.500000111Y1097 T1121G1095-Y1097 VanDerWaalsContact C-N 3.29Å; G1095-Y1097 PolarHBondContact O-N 3.33Å; G1095-T1121 PolarHBondContact O-OG1 3.16Å
1096C89.8Confident94.1Very high14 Ų1436.3 Ų36.310%0.09519%0.189CC..SBendtrans-76.5-10-173.653.60000115.1S1094 Y1120 T1121 D1122 G1134S1094-C1096 PolarHBondContact O-N 3.35Å; C1096-Y1120 HydrophobicContact CB-CE2 4.26Å; C1096-Y1120 VanDerWaalsContact O-CD2 3.23Å; C1096-Y1120 WeakPolarHBondContact O-CD2 3.15Å; C1096-T1121 VanDerWaalsContact C-OG1 3.23Å; C1096-T1121 PolarHBondContact O-N 2.9Å; C1096-T1121 PolarHBondContact O-OG1 3.26Å; C1096-T1121 VanDerWaalsContact O-OG1 3.13Å; C1096-D1122 HydrophobicContact CB-CB 3.69Å; C1096-D1122 PolarHBondContact O-N 3.01Å; C1096-G1134 WeakPolarHBondContact SG-CA 3.31Å
1097Y94.8Very high93.9Very high18 Ų1839.5 Ų39.57%0.07121%0.208CC..EExtended strand (participates in β ladder)trans-150.8168.5171.867-86.6000112.9S1094 G1095 Q1119 T1121 T1137 Y1138 E1141S1094-Y1097 VanDerWaalsContact CB-CZ 3.49Å; S1094-Y1097 PolarHBondContact N-O 2.85Å; S1094-Y1097 WeakPolarHBondContact OG-CE2 3.16Å; G1095-Y1097 VanDerWaalsContact C-N 3.29Å; G1095-Y1097 PolarHBondContact O-N 3.33Å; Y1097-Q1119 CarbonylContact C-O 3.56Å; Y1097-Q1119 WeakPolarHBondContact CA-O 3.34Å; Y1097-Q1119 VanDerWaalsContact CB-O 3.32Å; Y1097-Q1119 WeakPolarHBondContact CB-O 3.48Å; Y1097-T1121 PolarHBondContact N-OG1 2.77Å; Y1097-T1137 HydrophobicContact CE1-CG2 3.87Å; Y1097-Y1138 HydrophobicContact CD1-CD2 4.34Å; Y1097-Y1138 HydrophobicContact CD2-CD2 4.27Å; Y1097-Y1138 AromaticContact CG-CD2 3.83Å; Y1097-Y1138 HydrophobicContact CG-CD2 3.83Å; Y1097-E1141 HydrophobicContact CD2-CG 4.37Å; Y1097-E1141 HydrophobicContact CE2-CB 3.79Å; Y1097-E1141 HydrophobicContact CE2-CG 3.6Å
1098A95.4Very high93.7Very high1 Ų143.6 Ų43.61%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-137.3117.8177.500000113.3R1091 T1092 E1093 Q1119R1091-A1098 HydrophobicContact CG-CB 4.49Å; T1092-A1098 CarbonylContact O-C 3.57Å; T1092-A1098 WeakPolarHBondContact O-CA 3.4Å; E1093-A1098 HydrophobicContact CG-CB 3.9Å; A1098-Q1119 PolarHBondContact N-O 2.65Å; A1098-Q1119 PolarHBondContact O-N 3.04Å
1099T96.8Very high93.5Very high3 Ų350 Ų502%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-89.7118.2177.8-59.90000110.6R1091 T1092 W1116 L1118 E1141R1091-T1099 WeakPolarHBondContact CA-O 3.34Å; T1092-T1099 PolarHBondContact N-O 3.39Å; T1092-T1099 PolarHBondContact O-N 3.22Å; T1099-W1116 HydrophobicContact CG2-CE3 3.8Å; T1099-W1116 HydrophobicContact CG2-CZ3 4.16Å; T1099-L1118 HydrophobicContact CG2-CD1 4.22Å; T1099-L1118 HydrophobicContact CG2-CG 4.27Å; T1099-E1141 WeakPolarHBondContact CB-OE1 3.44Å; T1099-E1141 PolarHBondContact OG1-OE1 3.05Å
1100T96.3Very high93.4Very high1 Ų148.3 Ų48.31%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-115120.7-175.9-52.40000111T1088 R1091 L1102 H1117T1088-T1100 HydrophobicContact CG2-CG2 3.8Å; R1091-T1100 HydrophobicContact CB-CG2 4.26Å; R1091-T1100 WeakPolarHBondContact CD-OG1 3.41Å; R1091-T1100 WeakPolarHBondContact CG-OG1 3.44Å; T1100-L1102 HydrophobicContact CG2-CD2 3.66Å; T1100-L1102 HydrophobicContact CG2-CG 4.18Å; T1100-L1102 PolarHBondContact O-N 3.47Å; T1100-H1117 WeakPolarHBondContact CB-O 3.3Å; T1100-H1117 PolarHBondContact N-O 3.19Å; T1100-H1117 PolarHBondContact O-N 3.42Å
1101G96.6Very high93.5Very high1 Ų149.3 Ų49.31%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-81109.2172.700000111.1R1089 F1090R1089-G1101 WeakPolarHBondContact CB-O 3.25Å; R1089-G1101 PolarHBondContact N-O 3Å; F1090-G1101 PolarHBondContact O-N 3.05Å
1102L97.3Very high93.6Very high1 Ų150 Ų501%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-103.3144176-57.2-179.1000110.5W1040 W1069 I1086 T1088 T1100 T1114 V1115 H1117W1040-L1102 HydrophobicContact CH2-CD1 3.72Å; W1040-L1102 HydrophobicContact CZ2-CD1 4.18Å; W1069-L1102 HydrophobicContact CB-CD1 3.86Å; W1069-L1102 HydrophobicContact CB-CD2 4.27Å; W1069-L1102 HydrophobicContact CG-CD1 4.27Å; I1086-L1102 HydrophobicContact CG2-CD1 4.5Å; T1088-L1102 HydrophobicContact CG2-CD2 4.25Å; T1088-L1102 WeakPolarHBondContact OG1-CD2 3.42Å; T1100-L1102 HydrophobicContact CG2-CD2 3.66Å; T1100-L1102 HydrophobicContact CG2-CG 4.18Å; T1100-L1102 PolarHBondContact O-N 3.47Å; L1102-T1114 CarbonylContact O-C 3.48Å; L1102-T1114 WeakPolarHBondContact O-CA 3.45Å; L1102-V1115 WeakPolarHBondContact CA-O 3.39Å; L1102-V1115 WeakPolarHBondContact CB-O 3.3Å; L1102-V1115 PolarHBondContact N-O 3.47Å; L1102-V1115 PolarHBondContact O-N 3.41Å; L1102-H1117 HydrophobicContact CD1-CB 3.65Å; L1102-H1117 HydrophobicContact CG-CB 4.12Å
1103K95.9Very high93.6Very high50 Ų5049.8 Ų49.822%0.21727%0.267CS..EExtended strand (participates in β ladder)trans-115.8115.6169-174.2-178.7-176.5-178.60109.2I1086 T1087 R1089 E1112 R1113I1086-K1103 CarbonylContact C-O 3.59Å; T1087-K1103 PolarHBondContact N-O 3.1Å; T1087-K1103 PolarHBondContact O-N 2.63Å; R1089-K1103 HydrophobicContact CG-CB 4.06Å; K1103-E1112 WeakPolarHBondContact CE-OE2 3.44Å; K1103-E1112 IonicContact NZ-OE1 3.25Å; K1103-E1112 IonicContact NZ-OE2 3.94Å; K1103-E1112 PolarHBondContact NZ-OE2 2.75Å; K1103-R1113 WeakPolarHBondContact CA-O 3.33Å
1104I96.8Very high93.7Very high2 Ų247.2 Ų47.21%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-94.4131.4173.6176.2162.3000109.5W1040 W1044 F1084 I1086 E1112 R1113 V1115W1040-I1104 HydrophobicContact CD2-CD1 4.48Å; W1040-I1104 HydrophobicContact CE3-CD1 3.7Å; W1040-I1104 HydrophobicContact CZ3-CD1 4.29Å; W1044-I1104 HydrophobicContact CB-CD1 4.33Å; W1044-I1104 HydrophobicContact CE3-CD1 3.79Å; W1044-I1104 HydrophobicContact CE3-CG1 3.75Å; W1044-I1104 HydrophobicContact CE3-CG2 4.08Å; W1044-I1104 HydrophobicContact CZ3-CG1 4.11Å; W1044-I1104 HydrophobicContact CZ3-CG2 4.08Å; F1084-I1104 HydrophobicContact CB-CD1 3.98Å; F1084-I1104 HydrophobicContact CB-CG1 4.25Å; F1084-I1104 HydrophobicContact CD1-CD1 3.83Å; F1084-I1104 HydrophobicContact CD1-CG1 4.2Å; F1084-I1104 HydrophobicContact CG-CD1 4.03Å; I1086-I1104 HydrophobicContact CD1-CB 3.84Å; I1086-I1104 HydrophobicContact CD1-CD1 3.76Å; I1086-I1104 HydrophobicContact CD1-CG1 3.67Å; I1104-E1112 CarbonylContact O-C 3.57Å; I1104-E1112 VanDerWaalsContact O-CA 3.31Å; I1104-E1112 WeakPolarHBondContact O-CA 3.26Å; I1104-R1113 HydrophobicContact CG2-CB 3.95Å; I1104-R1113 WeakPolarHBondContact CG2-O 3.49Å; I1104-R1113 PolarHBondContact N-O 2.83Å; I1104-R1113 PolarHBondContact O-N 3.24Å; I1104-V1115 HydrophobicContact CG2-CG2 3.78Å
1105K96.1Very high94.2Very high18 Ų1844.8 Ų44.88%0.07824%0.244CC..EExtended strand (participates in β ladder)trans-115.8124.1169.9-176.3177.9-165.972.70110F1084 R1085 V1107 D1110 Q1111 E1112F1084-K1105 WeakPolarHBondContact CA-O 3.42Å; R1085-K1105 HydrophobicContact CB-CB 4.42Å; R1085-K1105 PolarHBondContact N-O 3.21Å; R1085-K1105 PolarHBondContact O-N 2.87Å; K1105-V1107 PolarHBondContact O-N 3.13Å; K1105-D1110 WeakPolarHBondContact CE-OD1 3.29Å; K1105-D1110 VanDerWaalsContact NZ-CG 3.3Å; K1105-D1110 PolarHBondContact NZ-O 3.14Å; K1105-D1110 IonicContact NZ-OD1 2.79Å; K1105-D1110 PolarHBondContact NZ-OD1 2.81Å; K1105-D1110 IonicContact NZ-OD2 3.73Å; K1105-Q1111 CarbonylContact C-O 3.58Å; K1105-Q1111 WeakPolarHBondContact CA-O 3.5Å; K1105-E1112 HydrophobicContact CB-CG 3.83Å; K1105-E1112 HydrophobicContact CD-CG 4.1Å; K1105-E1112 VanDerWaalsContact CD-OE1 3.31Å; K1105-E1112 WeakPolarHBondContact CD-OE1 3.19Å; K1105-E1112 HydrophobicContact CG-CG 3.63Å; K1105-E1112 VanDerWaalsContact NZ-CD 3.3Å; K1105-E1112 IonicContact NZ-OE1 2.7Å; K1105-E1112 PolarHBondContact NZ-OE1 3.43Å
1106N95.1Very high94.7Very high3 Ų344.6 Ų44.62%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-76.2106.3164.6-176.6-48.3000107.6W1044 F1084 P1108 K1109 D1110 Q1111W1044-N1106 HydrophobicContact CD2-CB 4.11Å; W1044-N1106 HydrophobicContact CE3-CB 4.33Å; W1044-N1106 HydrophobicContact CH2-CB 3.68Å; W1044-N1106 HydrophobicContact CZ2-CB 3.41Å; W1044-N1106 VanDerWaalsContact CZ2-CB 3.41Å; W1044-N1106 HydrophobicContact CZ3-CB 4.12Å; W1044-N1106 PolarHBondContact NE1-ND2 3.13Å; F1084-N1106 HydrophobicContact CD1-CB 4.29Å; F1084-N1106 HydrophobicContact CE1-CB 4.15Å; N1106-P1108 WeakPolarHBondContact OD1-CD 3.46Å; N1106-K1109 HydrophobicContact CB-CB 4.33Å; N1106-K1109 PolarHBondContact O-N 2.95Å; N1106-K1109 WeakPolarHBondContact OD1-CB 3.4Å; N1106-K1109 WeakPolarHBondContact OD1-CG 3.47Å; N1106-K1109 PolarHBondContact OD1-N 2.68Å; N1106-D1110 WeakPolarHBondContact O-CA 3.37Å; N1106-D1110 PolarHBondContact O-N 2.85Å; N1106-Q1111 PolarHBondContact N-O 2.96Å
1107V92.9Very high95.1Very high67 Ų6743.9 Ų43.941%0.40622%0.219SC..THydrogen-bonded Turntrans-66.1-43.8-170.6179.40000112R1083 R1085 K1105 K1109R1083-V1107 PolarHBondContact O-N 2.88Å; R1085-V1107 HydrophobicContact CB-CG2 3.71Å; K1105-V1107 PolarHBondContact O-N 3.13Å; V1107-K1109 PolarHBondContact O-N 3.33Å
1108P91.6Very high95.2Very high101 Ų10143 Ų4366%0.65622%0.216SC*.THydrogen-bonded Turntrans-63.9-33.1175-26.236000115.7R1083 N1106R1083-P1108 HydrophobicContact CB-CG 4.05Å; N1106-P1108 WeakPolarHBondContact OD1-CD 3.46Å
1109K91.2Very high95.3Very high136 Ų13643.5 Ų43.559%0.59122%0.218SC*.THydrogen-bonded Turntrans-94-4.1-178.4-64-172.6176.9-176.10114N1106 V1107 Q1111N1106-K1109 HydrophobicContact CB-CB 4.33Å; N1106-K1109 PolarHBondContact O-N 2.95Å; N1106-K1109 WeakPolarHBondContact OD1-CB 3.4Å; N1106-K1109 WeakPolarHBondContact OD1-CG 3.47Å; N1106-K1109 PolarHBondContact OD1-N 2.68Å; V1107-K1109 PolarHBondContact O-N 3.33Å; K1109-Q1111 HydrophobicContact CB-CB 4.34Å; K1109-Q1111 HydrophobicContact CB-CG 4.16Å; K1109-Q1111 PolarHBondContact O-N 2.92Å
1110D91.4Very high95.3Very high111 Ų11143.3 Ų43.359%0.59422%0.217SC*.  trans54.5-7.6-167.1-155.250.5000116.4K1105 N1106K1105-D1110 WeakPolarHBondContact CE-OD1 3.29Å; K1105-D1110 VanDerWaalsContact NZ-CG 3.3Å; K1105-D1110 PolarHBondContact NZ-O 3.14Å; K1105-D1110 IonicContact NZ-OD1 2.79Å; K1105-D1110 PolarHBondContact NZ-OD1 2.81Å; K1105-D1110 IonicContact NZ-OD2 3.73Å; N1106-D1110 WeakPolarHBondContact O-CA 3.37Å; N1106-D1110 PolarHBondContact O-N 2.85Å
1111Q93.7Very high95.1Very high104 Ų10446.4 Ų46.449%0.48624%0.236SC..  trans-61.4145.9179.5-70.6172.5-2800113.3W1044 K1105 N1106 K1109W1044-Q1111 HydrophobicContact CH2-CB 3.71Å; W1044-Q1111 HydrophobicContact CZ2-CB 3.78Å; K1105-Q1111 CarbonylContact C-O 3.58Å; K1105-Q1111 WeakPolarHBondContact CA-O 3.5Å; N1106-Q1111 PolarHBondContact N-O 2.96Å; K1109-Q1111 HydrophobicContact CB-CB 4.34Å; K1109-Q1111 HydrophobicContact CB-CG 4.16Å; K1109-Q1111 PolarHBondContact O-N 2.92Å
1112E94.7Very high94.9Very high90 Ų9049.8 Ų49.842%0.42125%0.253SS..EExtended strand (participates in β ladder)trans-135.2137.5-175.5-66.8179.2147.500111.3K1103 I1104 K1105K1103-E1112 WeakPolarHBondContact CE-OE2 3.44Å; K1103-E1112 IonicContact NZ-OE1 3.25Å; K1103-E1112 IonicContact NZ-OE2 3.94Å; K1103-E1112 PolarHBondContact NZ-OE2 2.75Å; I1104-E1112 CarbonylContact O-C 3.57Å; I1104-E1112 VanDerWaalsContact O-CA 3.31Å; I1104-E1112 WeakPolarHBondContact O-CA 3.26Å; K1105-E1112 HydrophobicContact CB-CG 3.83Å; K1105-E1112 HydrophobicContact CD-CG 4.1Å; K1105-E1112 VanDerWaalsContact CD-OE1 3.31Å; K1105-E1112 WeakPolarHBondContact CD-OE1 3.19Å; K1105-E1112 HydrophobicContact CG-CG 3.63Å; K1105-E1112 VanDerWaalsContact NZ-CD 3.3Å; K1105-E1112 IonicContact NZ-OE1 2.7Å; K1105-E1112 PolarHBondContact NZ-OE1 3.43Å
1113R93.1Very high94.6Very high74 Ų7450.4 Ų50.428%0.27926%0.256SS..EExtended strand (participates in β ladder)trans-131.9158.9174-81.3-177.5-80.8-170.3-1.6110.9W1044 D1047 K1103 I1104W1044-R1113 VanDerWaalsContact CG-NH2 3.34Å; W1044-R1113 HydrophobicContact CZ3-CB 4.17Å; W1044-R1113 HydrophobicContact CZ3-CG 4.36Å; W1044-R1113 PolarHBondContact O-NH2 3.12Å; D1047-R1113 WeakPolarHBondContact OD1-CD 3.34Å; D1047-R1113 IonicContact OD1-CZ 2.6Å; D1047-R1113 IonicContact OD1-NE 3.53Å; D1047-R1113 IonicContact OD1-NH1 2.92Å; D1047-R1113 PolarHBondContact OD1-NH1 2.63Å; K1103-R1113 WeakPolarHBondContact CA-O 3.33Å; I1104-R1113 HydrophobicContact CG2-CB 3.95Å; I1104-R1113 WeakPolarHBondContact CG2-O 3.49Å; I1104-R1113 PolarHBondContact N-O 2.83Å; I1104-R1113 PolarHBondContact O-N 3.24Å
1114T94.2Very high94.1Very high81 Ų8150.5 Ų50.550%0.49726%0.261SS..EExtended strand (participates in β ladder)trans-101.3135172.2-59.20000108.6L1102L1102-T1114 CarbonylContact O-C 3.48Å; L1102-T1114 WeakPolarHBondContact O-CA 3.45Å
1115V97.3Very high93Very high3 Ų353.7 Ų53.72%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-125.9130.7176.3-179.80000108.1V1043 I1051 L1102 I1104V1043-V1115 HydrophobicContact CG1-CG1 4.46Å; V1043-V1115 HydrophobicContact CG1-CG2 4.04Å; I1051-V1115 HydrophobicContact CD1-CG1 3.7Å; I1051-V1115 HydrophobicContact CG1-CG1 3.77Å; L1102-V1115 WeakPolarHBondContact CA-O 3.39Å; L1102-V1115 WeakPolarHBondContact CB-O 3.3Å; L1102-V1115 PolarHBondContact N-O 3.47Å; L1102-V1115 PolarHBondContact O-N 3.41Å; I1104-V1115 HydrophobicContact CG2-CG2 3.78Å
1116W97.5Very high91.9Very high57 Ų5760.2 Ų60.222%0.21631%0.309CS..EExtended strand (participates in β ladder)trans-92.5119.5176.9-63.486.1000109.3S1049 I1050 I1051 F1090 T1099 L1118 V1145 H1148S1049-W1116 PolarHBondContact O-N 2.78Å; I1050-W1116 CarbonylContact C-O 3.59Å; I1050-W1116 WeakPolarHBondContact CA-O 3.42Å; I1051-W1116 PolarHBondContact N-O 3.01Å; F1090-W1116 HydrophobicContact CE2-CE3 4.48Å; F1090-W1116 AromaticContact CE2-CZ3 3.91Å; F1090-W1116 HydrophobicContact CE2-CZ3 3.91Å; F1090-W1116 HydrophobicContact CZ-CE3 4.19Å; F1090-W1116 AromaticContact CZ-CH2 3.86Å; F1090-W1116 HydrophobicContact CZ-CH2 3.86Å; F1090-W1116 AromaticContact CZ-CZ3 3.58Å; F1090-W1116 HydrophobicContact CZ-CZ3 3.58Å; T1099-W1116 HydrophobicContact CG2-CE3 3.8Å; T1099-W1116 HydrophobicContact CG2-CZ3 4.16Å; W1116-L1118 HydrophobicContact CB-CD1 3.72Å; W1116-V1145 HydrophobicContact CB-CG1 3.59Å; W1116-V1145 HydrophobicContact CD2-CG1 3.78Å; W1116-V1145 HydrophobicContact CE3-CG1 4.35Å; W1116-V1145 HydrophobicContact CE3-CG2 4.38Å; W1116-V1145 HydrophobicContact CG-CG1 3.42Å; W1116-V1145 VanDerWaalsContact CG-CG1 3.42Å; W1116-H1148 AromaticContact CZ2-CD2 3.85Å
1117H97.9Very high91.5Very high0 Ų062.2 Ų62.20%033%0.331CS..EExtended strand (participates in β ladder)trans-110103.4-179.3172-67.6000109.9I1051 Y1068 W1069 T1100 L1102I1051-H1117 CarbonylContact O-C 3.57Å; I1051-H1117 WeakPolarHBondContact O-CA 3.3Å; Y1068-H1117 AromaticContact CE2-CD2 3.91Å; Y1068-H1117 AromaticContact CZ-CD2 3.85Å; Y1068-H1117 AromaticContact CZ-NE2 3.66Å; Y1068-H1117 PolarHBondContact OH-CD2 3.39Å; Y1068-H1117 VanDerWaalsContact OH-CD2 3.25Å; Y1068-H1117 PolarHBondContact OH-NE2 3.11Å; Y1068-H1117 VanDerWaalsContact OH-NE2 3.13Å; W1069-H1117 AromaticContact CD2-CE1 3.99Å; W1069-H1117 AromaticContact CD2-NE2 3.62Å; W1069-H1117 AromaticContact CE2-CE1 3.39Å; W1069-H1117 AromaticContact CE2-NE2 3.51Å; W1069-H1117 AromaticContact CE3-NE2 3.75Å; W1069-H1117 AromaticContact CH2-CE1 3.95Å; W1069-H1117 AromaticContact CH2-NE2 3.89Å; W1069-H1117 AromaticContact CZ2-CE1 3.39Å; W1069-H1117 WeakPolarHBondContact CZ2-CE1 3.39Å; W1069-H1117 AromaticContact CZ2-NE2 3.68Å; W1069-H1117 AromaticContact CZ3-NE2 3.89Å; W1069-H1117 AromaticContact NE1-CE1 3.66Å; W1069-H1117 AromaticContact NE1-ND1 3.89Å; T1100-H1117 WeakPolarHBondContact CB-O 3.3Å; T1100-H1117 PolarHBondContact N-O 3.19Å; T1100-H1117 PolarHBondContact O-N 3.42Å; L1102-H1117 HydrophobicContact CD1-CB 3.65Å; L1102-H1117 HydrophobicContact CG-CB 4.12Å
1118L98.1Very high91.4Very high0 Ų060 Ų600%032%0.318CS..EExtended strand (participates in β ladder)trans-101.2103-175.7-70.263.8000108.4I1050 I1051 A1052 M1053 T1099 W1116 Y1138 E1141 V1142 V1145I1050-L1118 HydrophobicContact CG2-CD1 4.15Å; I1051-L1118 PolarHBondContact O-N 3.01Å; A1052-L1118 WeakPolarHBondContact CA-O 3.22Å; M1053-L1118 PolarHBondContact N-O 3.23Å; T1099-L1118 HydrophobicContact CG2-CD1 4.22Å; T1099-L1118 HydrophobicContact CG2-CG 4.27Å; W1116-L1118 HydrophobicContact CB-CD1 3.72Å; L1118-Y1138 HydrophobicContact CB-CE2 4.03Å; L1118-Y1138 PolarHBondContact O-OH 3.25Å; L1118-E1141 HydrophobicContact CD2-CB 4.46Å; L1118-E1141 HydrophobicContact CD2-CG 3.71Å; L1118-E1141 HydrophobicContact CG-CG 4.31Å; L1118-V1142 HydrophobicContact CD2-CB 4.23Å; L1118-V1142 HydrophobicContact CD2-CG2 3.63Å; L1118-V1145 HydrophobicContact CD1-CG2 4.41Å; L1118-V1145 HydrophobicContact CD2-CG2 4.22Å
1119Q97.4Very high91.3Very high10 Ų1055.4 Ų55.45%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-95.5114.6178.3-173.2173.914.600110.2M1053 T1055 Y1097 A1098 T1121M1053-Q1119 HydrophobicContact CB-CB 4.3Å; M1053-Q1119 HydrophobicContact CB-CG 4.23Å; M1053-Q1119 HydrophobicContact CG-CG 4.03Å; M1053-Q1119 CarbonylContact O-C 3.55Å; M1053-Q1119 WeakPolarHBondContact O-CA 3.45Å; M1053-Q1119 HydrophobicContact SD-CG 4.13Å; T1055-Q1119 PolarHBondContact O-NE2 2.83Å; Y1097-Q1119 CarbonylContact C-O 3.56Å; Y1097-Q1119 WeakPolarHBondContact CA-O 3.34Å; Y1097-Q1119 VanDerWaalsContact CB-O 3.32Å; Y1097-Q1119 WeakPolarHBondContact CB-O 3.48Å; A1098-Q1119 PolarHBondContact N-O 2.65Å; A1098-Q1119 PolarHBondContact O-N 3.04Å; Q1119-T1121 HydrophobicContact CG-CG2 4.08Å
1120Y96.6Very high91.1Very high0 Ų057.4 Ų57.40%030%0.299CS..EExtended strand (participates in β ladder)trans-73.4125.4164.3-172.6-107.6000108.5M1053 V1054 C1096 D1122 W1123 P1129 F1135 Y1138M1053-Y1120 PolarHBondContact O-N 3.12Å; V1054-Y1120 HydrophobicContact CG1-CD1 4.39Å; C1096-Y1120 HydrophobicContact CB-CE2 4.26Å; C1096-Y1120 VanDerWaalsContact O-CD2 3.23Å; C1096-Y1120 WeakPolarHBondContact O-CD2 3.15Å; Y1120-D1122 HydrophobicContact CE1-CB 4.14Å; Y1120-D1122 HydrophobicContact CE2-CB 4.17Å; Y1120-W1123 HydrophobicContact CD1-CB 4.05Å; Y1120-W1123 HydrophobicContact CD1-CE3 4.16Å; Y1120-W1123 HydrophobicContact CE1-CB 3.95Å; Y1120-W1123 HydrophobicContact CE1-CE3 4.08Å; Y1120-P1129 HydrophobicContact CE1-CG 3.71Å; Y1120-P1129 VanDerWaalsContact OH-CB 3.27Å; Y1120-P1129 WeakPolarHBondContact OH-CB 3.45Å; Y1120-P1129 VanDerWaalsContact OH-CG 3.25Å; Y1120-P1129 WeakPolarHBondContact OH-CG 3.47Å; Y1120-F1135 HydrophobicContact CE1-CD2 4.16Å; Y1120-F1135 HydrophobicContact CE2-CB 4.4Å; Y1120-F1135 HydrophobicContact CE2-CD2 4.09Å; Y1120-F1135 AromaticContact CZ-CD2 3.85Å; Y1120-Y1138 AromaticContact CD2-CD1 3.99Å; Y1120-Y1138 HydrophobicContact CD2-CD1 3.99Å; Y1120-Y1138 HydrophobicContact CD2-CD2 4.09Å; Y1120-Y1138 AromaticContact CD2-CG 3.67Å; Y1120-Y1138 HydrophobicContact CD2-CG 3.67Å; Y1120-Y1138 HydrophobicContact CG-CD1 4.29Å; Y1120-Y1138 HydrophobicContact CG-CG 4.29Å
1121T92.6Very high90.9Very high66 Ų6655.3 Ų55.341%0.40529%0.288SS..  trans-109-11.8-171.641.80000113.3G1095 C1096 Y1097 Q1119G1095-T1121 PolarHBondContact O-OG1 3.16Å; C1096-T1121 VanDerWaalsContact C-OG1 3.23Å; C1096-T1121 PolarHBondContact O-N 2.9Å; C1096-T1121 PolarHBondContact O-OG1 3.26Å; C1096-T1121 VanDerWaalsContact O-OG1 3.13Å; Y1097-T1121 PolarHBondContact N-OG1 2.77Å; Q1119-T1121 HydrophobicContact CG-CG2 4.08Å
1122D91.1Very high90.7Very high71 Ų7152.9 Ų52.938%0.3828%0.276SS..  trans-100.226.7-169.4-152.443.5000113.7C1096 Y1120 P1124C1096-D1122 HydrophobicContact CB-CB 3.69Å; C1096-D1122 PolarHBondContact O-N 3.01Å; Y1120-D1122 HydrophobicContact CE1-CB 4.14Å; Y1120-D1122 HydrophobicContact CE2-CB 4.17Å; D1122-P1124 WeakPolarHBondContact O-CD 3.39Å
1123W91.3Very high90.5Very high14 Ų1454.2 Ų54.25%0.05328%0.281CS..  trans-94.4115.5175.7-155.8-51.1000110.6V1054 Y1120 G1127 C1128 P1129 F1135 R1171 V1174 Q1213V1054-W1123 HydrophobicContact CG1-CE3 3.63Å; V1054-W1123 HydrophobicContact CG1-CZ3 3.8Å; Y1120-W1123 HydrophobicContact CD1-CB 4.05Å; Y1120-W1123 HydrophobicContact CD1-CE3 4.16Å; Y1120-W1123 HydrophobicContact CE1-CB 3.95Å; Y1120-W1123 HydrophobicContact CE1-CE3 4.08Å; W1123-G1127 PolarHBondContact NE1-O 2.83Å; W1123-C1128 HydrophobicContact CZ2-CB 4.32Å; W1123-P1129 HydrophobicContact CD2-CG 4.02Å; W1123-P1129 HydrophobicContact CE3-CG 4.15Å; W1123-P1129 HydrophobicContact CG-CG 4.22Å; W1123-F1135 HydrophobicContact CZ3-CE2 4.06Å; W1123-R1171 HydrophobicContact CD2-CB 4.32Å; W1123-R1171 HydrophobicContact CD2-CG 3.74Å; W1123-R1171 HydrophobicContact CE3-CB 4.01Å; W1123-R1171 HydrophobicContact CE3-CG 3.96Å; W1123-R1171 HydrophobicContact CG-CG 4.4Å; W1123-R1171 HydrophobicContact CH2-CB 3.88Å; W1123-R1171 HydrophobicContact CH2-CG 3.87Å; W1123-R1171 HydrophobicContact CZ2-CB 4.21Å; W1123-R1171 HydrophobicContact CZ2-CG 3.66Å; W1123-R1171 HydrophobicContact CZ3-CB 3.77Å; W1123-R1171 HydrophobicContact CZ3-CG 4.01Å; W1123-V1174 HydrophobicContact CH2-CB 3.85Å; W1123-V1174 HydrophobicContact CH2-CG1 3.84Å; W1123-V1174 HydrophobicContact CH2-CG2 3.99Å; W1123-V1174 HydrophobicContact CZ3-CB 4.43Å; W1123-V1174 HydrophobicContact CZ3-CG1 4.31Å; W1123-Q1213 HydrophobicContact CZ2-CG 4.29Å
1124P86.4Confident90.4Very high52 Ų5250.8 Ų50.834%0.33827%0.268SS..  trans-65.6157.1-179.125.9-34.9000113.9D1122 H1126 C1128 R1171D1122-P1124 WeakPolarHBondContact O-CD 3.39Å; P1124-H1126 WeakPolarHBondContact CB-O 3.35Å; P1124-H1126 VanDerWaalsContact CG-O 3.29Å; P1124-H1126 WeakPolarHBondContact CG-O 3.48Å; P1124-H1126 PolarHBondContact O-N 2.73Å; P1124-C1128 WeakPolarHBondContact CG-O 3.37Å; P1124-R1171 PolarHBondContact O-NH2 2.86Å; P1124-R1171 VanDerWaalsContact O-NH2 3.07Å
1125D73.6Confident90.4Very high70 Ų7047 Ų4737%0.37425%0.245SC..SBendtrans-61.7-24.4176.5-77.45.6000112.6E1059 S1060E1059-D1125 VanDerWaalsContact CB-OD1 3.24Å; E1059-D1125 WeakPolarHBondContact CB-OD1 3.43Å; S1060-D1125 WeakPolarHBondContact CA-OD2 3.45Å; S1060-D1125 WeakPolarHBondContact CB-OD2 3.28Å; S1060-D1125 PolarHBondContact N-OD2 2.85Å; S1060-D1125 PolarHBondContact OG-OD2 2.81Å
1126H72.9Confident90.3Very high154 Ų15447.4 Ų47.471%0.71325%0.247SC*.SBendtrans-128141.9177-61.6-13.2000110.3P1124P1124-H1126 WeakPolarHBondContact CB-O 3.35Å; P1124-H1126 VanDerWaalsContact CG-O 3.29Å; P1124-H1126 WeakPolarHBondContact CG-O 3.48Å; P1124-H1126 PolarHBondContact O-N 2.73Å
1127G85.4Confident90.2Very high46 Ų4647.3 Ų47.347%0.47425%0.253SS..SBendtrans73.1-134177.900000114.5W1123W1123-G1127 PolarHBondContact NE1-O 2.83Å
1128C90.9Very high90.1Very high19 Ų1947.3 Ų47.313%0.12825%0.253CS..  trans-143163.1-174.9-68.70000108.9W1123 P1124 Q1213 F1216W1123-C1128 HydrophobicContact CZ2-CB 4.32Å; P1124-C1128 WeakPolarHBondContact CG-O 3.37Å; C1128-Q1213 VanDerWaalsContact SG-CA 3.57Å; C1128-F1216 HydrophobicContact CB-CB 3.92Å; C1128-F1216 HydrophobicContact CB-CD2 3.77Å; C1128-F1216 HydrophobicContact CB-CE2 4.48Å; C1128-F1216 HydrophobicContact CB-CG 3.83Å
1129P90.4Very high90Very high5 Ų547.4 Ų47.43%0.03225%0.253CS..  trans-57.9149.8177.8-21.632.5000112.3Y1120 W1123 F1216Y1120-P1129 HydrophobicContact CE1-CG 3.71Å; Y1120-P1129 VanDerWaalsContact OH-CB 3.27Å; Y1120-P1129 WeakPolarHBondContact OH-CB 3.45Å; Y1120-P1129 VanDerWaalsContact OH-CG 3.25Å; Y1120-P1129 WeakPolarHBondContact OH-CG 3.47Å; W1123-P1129 HydrophobicContact CD2-CG 4.02Å; W1123-P1129 HydrophobicContact CE3-CG 4.15Å; W1123-P1129 HydrophobicContact CG-CG 4.22Å; P1129-F1216 HydrophobicContact CB-CE2 4.04Å; P1129-F1216 HydrophobicContact CB-CZ 4.14Å; P1129-F1216 HydrophobicContact CG-CE2 4.24Å; P1129-F1216 HydrophobicContact CG-CZ 3.99Å; P1129-F1216 WeakPolarHBondContact O-CD2 3.27Å; P1129-F1216 WeakPolarHBondContact O-CE2 3.45Å
1130E86.1Confident89.9Confident178 Ų17852.5 Ų52.583%0.83228%0.277SS*.SBendtrans-97.2-24.8170.5-58.4-166.7153.400111.6F1132E1130-F1132 WeakPolarHBondContact O-CD2 3.3Å; E1130-F1132 VanDerWaalsContact O-CE2 3.3Å; E1130-F1132 WeakPolarHBondContact O-CE2 3.49Å; E1130-F1132 PolarHBondContact O-N 3.17Å
1131D87.3Confident89.8Confident68 Ų6854.7 Ų54.736%0.36429%0.287SS..  trans-78.584.9171.4-174.512.7000112.3K1133 G1134 F1135D1131-K1133 VanDerWaalsContact C-N 3.25Å; D1131-K1133 PolarHBondContact O-N 2.8Å; D1131-K1133 WeakPolarHBondContact OD1-CA 3.42Å; D1131-K1133 VanDerWaalsContact OD1-CB 3.32Å; D1131-K1133 WeakPolarHBondContact OD1-CB 3.09Å; D1131-K1133 PolarHBondContact OD1-N 3.17Å; D1131-G1134 PolarHBondContact O-N 3.05Å; D1131-G1134 PolarHBondContact OD1-N 3.12Å; D1131-G1134 WeakPolarHBondContact OD2-CA 3.33Å; D1131-G1134 PolarHBondContact OD2-N 2.83Å; D1131-F1135 PolarHBondContact O-N 3.29Å
1132F90.6Very high90Very high52 Ų5251.6 Ų51.623%0.22827%0.268CS..Hα-helixtrans-60-33.5170.9-53.6-75.5000112.6E1130 F1135 L1136 F1216 K1219 V1220 E1223E1130-F1132 WeakPolarHBondContact O-CD2 3.3Å; E1130-F1132 VanDerWaalsContact O-CE2 3.3Å; E1130-F1132 WeakPolarHBondContact O-CE2 3.49Å; E1130-F1132 PolarHBondContact O-N 3.17Å; F1132-F1135 PolarHBondContact O-N 3.3Å; F1132-L1136 WeakPolarHBondContact O-CB 3.3Å; F1132-L1136 VanDerWaalsContact O-CG 3.28Å; F1132-L1136 WeakPolarHBondContact O-CG 3.49Å; F1132-L1136 PolarHBondContact O-N 2.94Å; F1132-F1216 HydrophobicContact CD1-CD2 4.11Å; F1132-F1216 AromaticContact CD1-CE2 3.7Å; F1132-F1216 HydrophobicContact CD1-CE2 3.7Å; F1132-F1216 HydrophobicContact CD1-CZ 4.48Å; F1132-F1216 AromaticContact CE1-CD2 3.6Å; F1132-F1216 HydrophobicContact CE1-CD2 3.6Å; F1132-F1216 AromaticContact CE1-CE2 3.62Å; F1132-F1216 HydrophobicContact CE1-CE2 3.62Å; F1132-K1219 HydrophobicContact CD1-CB 4.04Å; F1132-K1219 HydrophobicContact CE1-CB 3.49Å; F1132-K1219 VanDerWaalsContact CE1-CB 3.49Å; F1132-K1219 HydrophobicContact CE1-CD 3.83Å; F1132-K1219 HydrophobicContact CE1-CG 4.31Å; F1132-K1219 HydrophobicContact CZ-CB 4.02Å; F1132-K1219 HydrophobicContact CZ-CD 3.59Å; F1132-K1219 HydrophobicContact CZ-CG 4.44Å; F1132-V1220 HydrophobicContact CD1-CG2 4.01Å; F1132-E1223 HydrophobicContact CB-CB 4.34Å; F1132-E1223 HydrophobicContact CB-CG 4.07Å
1133K89.3Confident90.1Very high119 Ų11949 Ų4952%0.51725%0.254SS..Hα-helixtrans-69.8-41.7-179.3-178.2178.8176.3-178.80110E57 D1131 L1136 T1137E57-K1133 IonicContact OE1-NZ 2.59Å; E57-K1133 PolarHBondContact OE1-NZ 2.61Å; D1131-K1133 VanDerWaalsContact C-N 3.25Å; D1131-K1133 PolarHBondContact O-N 2.8Å; D1131-K1133 WeakPolarHBondContact OD1-CA 3.42Å; D1131-K1133 VanDerWaalsContact OD1-CB 3.32Å; D1131-K1133 WeakPolarHBondContact OD1-CB 3.09Å; D1131-K1133 PolarHBondContact OD1-N 3.17Å; K1133-L1136 PolarHBondContact O-N 3.02Å; K1133-T1137 WeakPolarHBondContact O-CB 3.43Å; K1133-T1137 PolarHBondContact O-N 3.06Å; K1133-T1137 PolarHBondContact O-OG1 2.56Å
1134G91.3Very high90.2Very high2 Ų251.1 Ų51.12%0.02127%0.271CS..Hα-helixtrans-65.2-42.5172.400000113.6C1096 D1131 T1137 Y1138C1096-G1134 WeakPolarHBondContact SG-CA 3.31Å; D1131-G1134 PolarHBondContact O-N 3.05Å; D1131-G1134 PolarHBondContact OD1-N 3.12Å; D1131-G1134 WeakPolarHBondContact OD2-CA 3.33Å; D1131-G1134 PolarHBondContact OD2-N 2.83Å; G1134-T1137 PolarHBondContact O-N 3.25Å; G1134-Y1138 PolarHBondContact O-N 3.14Å
1135F95Very high90.5Very high0 Ų049 Ų490%026%0.257CS..Hα-helixtrans-64.5-40.8174.2-172.7-99.7000112.4Y1120 W1123 D1131 F1132 Y1138 L1139 V1174 V1175 F1216 V1220Y1120-F1135 HydrophobicContact CE1-CD2 4.16Å; Y1120-F1135 HydrophobicContact CE2-CB 4.4Å; Y1120-F1135 HydrophobicContact CE2-CD2 4.09Å; Y1120-F1135 AromaticContact CZ-CD2 3.85Å; W1123-F1135 HydrophobicContact CZ3-CE2 4.06Å; D1131-F1135 PolarHBondContact O-N 3.29Å; F1132-F1135 PolarHBondContact O-N 3.3Å; F1135-Y1138 WeakPolarHBondContact O-CB 3.25Å; F1135-Y1138 PolarHBondContact O-N 2.91Å; F1135-L1139 HydrophobicContact CD1-CD1 4.2Å; F1135-L1139 HydrophobicContact CD1-CG 4.47Å; F1135-L1139 HydrophobicContact CE1-CD1 3.75Å; F1135-L1139 HydrophobicContact CE1-CD2 4.47Å; F1135-L1139 HydrophobicContact CE1-CG 4.13Å; F1135-L1139 HydrophobicContact CZ-CD1 4.46Å; F1135-L1139 HydrophobicContact CZ-CD2 4.41Å; F1135-L1139 PolarHBondContact O-N 3.09Å; F1135-L1139 VanDerWaalsContact O-N 3.1Å; F1135-V1174 HydrophobicContact CE1-CG1 4.4Å; F1135-V1174 HydrophobicContact CZ-CG1 3.9Å; F1135-V1175 HydrophobicContact CE2-CG2 3.8Å; F1135-V1175 HydrophobicContact CZ-CG2 3.73Å; F1135-F1216 HydrophobicContact CB-CZ 4Å; F1135-F1216 AromaticContact CD1-CE1 3.77Å; F1135-F1216 HydrophobicContact CD1-CE1 3.77Å; F1135-F1216 AromaticContact CD1-CZ 3.86Å; F1135-F1216 HydrophobicContact CD1-CZ 3.86Å; F1135-F1216 HydrophobicContact CD2-CE1 4.15Å; F1135-F1216 HydrophobicContact CD2-CZ 4.12Å; F1135-F1216 AromaticContact CE1-CE1 3.81Å; F1135-F1216 HydrophobicContact CE1-CE1 3.81Å; F1135-F1216 HydrophobicContact CE1-CZ 4.38Å; F1135-F1216 HydrophobicContact CE2-CE1 4.21Å; F1135-F1216 AromaticContact CG-CE1 3.94Å; F1135-F1216 HydrophobicContact CG-CE1 3.94Å; F1135-F1216 AromaticContact CG-CZ 3.71Å; F1135-F1216 HydrophobicContact CG-CZ 3.71Å; F1135-F1216 HydrophobicContact CZ-CE1 4.05Å; F1135-V1220 HydrophobicContact CD1-CG1 3.97Å; F1135-V1220 HydrophobicContact CD1-CG2 3.69Å; F1135-V1220 HydrophobicContact CE1-CG1 4.17Å; F1135-V1220 HydrophobicContact CE1-CG2 4.16Å
1136L94.8Very high91.4Very high12 Ų1247 Ų476%0.06324%0.244CC..Hα-helixtrans-62.8-44.4172.5-74.8170.5000111.8F1132 K1133 Y1138 L1139 E1140 I1182 V1220 E1223 Y1224F1132-L1136 WeakPolarHBondContact O-CB 3.3Å; F1132-L1136 VanDerWaalsContact O-CG 3.28Å; F1132-L1136 WeakPolarHBondContact O-CG 3.49Å; F1132-L1136 PolarHBondContact O-N 2.94Å; K1133-L1136 PolarHBondContact O-N 3.02Å; L1136-Y1138 VanDerWaalsContact C-N 3.26Å; L1136-Y1138 PolarHBondContact O-N 2.79Å; L1136-L1139 PolarHBondContact O-N 2.93Å; L1136-E1140 PolarHBondContact O-N 2.83Å; L1136-I1182 HydrophobicContact CD2-CD1 3.97Å; L1136-V1220 HydrophobicContact CD2-CG1 3.67Å; L1136-V1220 HydrophobicContact CG-CG1 4.22Å; L1136-E1223 HydrophobicContact CD1-CB 4.28Å; L1136-E1223 HydrophobicContact CD1-CG 4.26Å; L1136-Y1224 HydrophobicContact CD2-CD2 4.23Å
1137T94.4Very high92.2Very high55 Ų5546.6 Ų46.634%0.33724%0.236SC..Hα-helixtrans-60.8-35.2176.7-50.50000111.8Y1097 K1133 G1134 E1140 E1141Y1097-T1137 HydrophobicContact CE1-CG2 3.87Å; K1133-T1137 WeakPolarHBondContact O-CB 3.43Å; K1133-T1137 PolarHBondContact O-N 3.06Å; K1133-T1137 PolarHBondContact O-OG1 2.56Å; G1134-T1137 PolarHBondContact O-N 3.25Å; T1137-E1140 PolarHBondContact O-N 3.48Å; T1137-E1141 PolarHBondContact O-N 2.9Å
1138Y96.7Very high92.4Very high0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-65.1-43.1172.2171.1-106.6000112.7A1052 Y1097 L1118 Y1120 G1134 F1135 L1136 E1141 V1142 V1175A1052-Y1138 WeakPolarHBondContact CB-OH 3.36Å; Y1097-Y1138 HydrophobicContact CD1-CD2 4.34Å; Y1097-Y1138 HydrophobicContact CD2-CD2 4.27Å; Y1097-Y1138 AromaticContact CG-CD2 3.83Å; Y1097-Y1138 HydrophobicContact CG-CD2 3.83Å; L1118-Y1138 HydrophobicContact CB-CE2 4.03Å; L1118-Y1138 PolarHBondContact O-OH 3.25Å; Y1120-Y1138 AromaticContact CD2-CD1 3.99Å; Y1120-Y1138 HydrophobicContact CD2-CD1 3.99Å; Y1120-Y1138 HydrophobicContact CD2-CD2 4.09Å; Y1120-Y1138 AromaticContact CD2-CG 3.67Å; Y1120-Y1138 HydrophobicContact CD2-CG 3.67Å; Y1120-Y1138 HydrophobicContact CG-CD1 4.29Å; Y1120-Y1138 HydrophobicContact CG-CG 4.29Å; G1134-Y1138 PolarHBondContact O-N 3.14Å; F1135-Y1138 WeakPolarHBondContact O-CB 3.25Å; F1135-Y1138 PolarHBondContact O-N 2.91Å; L1136-Y1138 VanDerWaalsContact C-N 3.26Å; L1136-Y1138 PolarHBondContact O-N 2.79Å; Y1138-E1141 PolarHBondContact O-N 3.49Å; Y1138-V1142 HydrophobicContact CE1-CG2 4.2Å; Y1138-V1142 HydrophobicContact CE2-CG2 4.19Å; Y1138-V1142 WeakPolarHBondContact O-CG2 3.45Å; Y1138-V1142 PolarHBondContact O-N 3.13Å; Y1138-V1175 HydrophobicContact CE1-CG1 4.45Å; Y1138-V1175 HydrophobicContact CE1-CG2 4.07Å
1139L96.1Very high92.2Very high3 Ų348.8 Ų48.82%0.01623%0.233CC..Hα-helixtrans-64.5-39.6174.1-64.8-178.3000111.7F1135 L1136 E1141 V1142 Q1143 V1175 I1182F1135-L1139 HydrophobicContact CD1-CD1 4.2Å; F1135-L1139 HydrophobicContact CD1-CG 4.47Å; F1135-L1139 HydrophobicContact CE1-CD1 3.75Å; F1135-L1139 HydrophobicContact CE1-CD2 4.47Å; F1135-L1139 HydrophobicContact CE1-CG 4.13Å; F1135-L1139 HydrophobicContact CZ-CD1 4.46Å; F1135-L1139 HydrophobicContact CZ-CD2 4.41Å; F1135-L1139 PolarHBondContact O-N 3.09Å; F1135-L1139 VanDerWaalsContact O-N 3.1Å; L1136-L1139 PolarHBondContact O-N 2.93Å; L1139-E1141 VanDerWaalsContact C-N 3.35Å; L1139-E1141 PolarHBondContact O-N 2.79Å; L1139-V1142 PolarHBondContact O-N 2.86Å; L1139-Q1143 WeakPolarHBondContact O-CG 3.49Å; L1139-Q1143 PolarHBondContact O-N 2.94Å; L1139-V1175 HydrophobicContact CD2-CG1 3.97Å; L1139-I1182 HydrophobicContact CD1-CD1 3.88Å
1140E94.6Very high91.9Very high117 Ų11751.8 Ų51.855%0.54725%0.249SC..Hα-helixtrans-60.3-41.1173.9-74.9-176.2-157.400112.4L1136 T1137 Q1143 S1144L1136-E1140 PolarHBondContact O-N 2.83Å; T1137-E1140 PolarHBondContact O-N 3.48Å; E1140-Q1143 PolarHBondContact O-N 2.8Å; E1140-S1144 WeakPolarHBondContact O-CB 3.31Å; E1140-S1144 PolarHBondContact O-N 2.93Å
1141E95.6Very high91.7Very high45 Ų4547.2 Ų47.221%0.2124%0.242CC..Hα-helixtrans-64.8-45173.2177.880150.700111.3Y1097 T1099 L1118 T1137 Y1138 L1139 Q1143 S1144 V1145Y1097-E1141 HydrophobicContact CD2-CG 4.37Å; Y1097-E1141 HydrophobicContact CE2-CB 3.79Å; Y1097-E1141 HydrophobicContact CE2-CG 3.6Å; T1099-E1141 WeakPolarHBondContact CB-OE1 3.44Å; T1099-E1141 PolarHBondContact OG1-OE1 3.05Å; L1118-E1141 HydrophobicContact CD2-CB 4.46Å; L1118-E1141 HydrophobicContact CD2-CG 3.71Å; L1118-E1141 HydrophobicContact CG-CG 4.31Å; T1137-E1141 PolarHBondContact O-N 2.9Å; Y1138-E1141 PolarHBondContact O-N 3.49Å; L1139-E1141 VanDerWaalsContact C-N 3.35Å; L1139-E1141 PolarHBondContact O-N 2.79Å; E1141-Q1143 VanDerWaalsContact C-N 3.32Å; E1141-Q1143 PolarHBondContact O-N 2.79Å; E1141-S1144 WeakPolarHBondContact O-CB 3.49Å; E1141-S1144 PolarHBondContact O-N 2.85Å; E1141-S1144 VanDerWaalsContact O-N 3.1Å; E1141-V1145 HydrophobicContact CG-CG2 4.39Å; E1141-V1145 WeakPolarHBondContact O-CG2 3.35Å; E1141-V1145 PolarHBondContact O-N 2.77Å
1142V95.7Very high91.2Very high1 Ų150.1 Ų50.11%0.00626%0.256CS..Hα-helixtrans-56.4-46.6175.4169.10000110.8L1118 Y1138 L1139 R1146L1118-V1142 HydrophobicContact CD2-CB 4.23Å; L1118-V1142 HydrophobicContact CD2-CG2 3.63Å; Y1138-V1142 HydrophobicContact CE1-CG2 4.2Å; Y1138-V1142 HydrophobicContact CE2-CG2 4.19Å; Y1138-V1142 WeakPolarHBondContact O-CG2 3.45Å; Y1138-V1142 PolarHBondContact O-N 3.13Å; L1139-V1142 PolarHBondContact O-N 2.86Å; V1142-R1146 VanDerWaalsContact CG1-NH2 3.32Å; V1142-R1146 VanDerWaalsContact O-CB 3.3Å; V1142-R1146 WeakPolarHBondContact O-CB 3.26Å; V1142-R1146 PolarHBondContact O-N 2.81Å
1143Q93.3Very high90.4Very high18 Ų1849.3 Ų49.38%0.08426%0.257CS..Hα-helixtrans-67.7-37.2174.5-68.7-173.91.900112.8L1139 E1140 E1141 R1146 R1147 E1179L1139-Q1143 WeakPolarHBondContact O-CG 3.49Å; L1139-Q1143 PolarHBondContact O-N 2.94Å; E1140-Q1143 PolarHBondContact O-N 2.8Å; E1141-Q1143 VanDerWaalsContact C-N 3.32Å; E1141-Q1143 PolarHBondContact O-N 2.79Å; Q1143-R1146 PolarHBondContact O-N 2.87Å; Q1143-R1147 WeakPolarHBondContact O-CB 3.45Å; Q1143-R1147 VanDerWaalsContact O-CG 3.3Å; Q1143-R1147 WeakPolarHBondContact O-CG 3.36Å; Q1143-R1147 PolarHBondContact O-N 3.4Å; Q1143-R1147 PolarHBondContact O-NE 2.86Å; Q1143-E1179 WeakPolarHBondContact CG-OE1 3.25Å
1144S93.8Very high89.6Confident58 Ų5847.8 Ų47.841%0.40626%0.255SS..Hα-helixtrans-60.9-50.2178.7-176.70000110.7E1140 E1141 R1147 H1148E1140-S1144 WeakPolarHBondContact O-CB 3.31Å; E1140-S1144 PolarHBondContact O-N 2.93Å; E1141-S1144 WeakPolarHBondContact O-CB 3.49Å; E1141-S1144 PolarHBondContact O-N 2.85Å; E1141-S1144 VanDerWaalsContact O-N 3.1Å; S1144-R1147 PolarHBondContact O-N 3.48Å; S1144-H1148 PolarHBondContact O-N 3.2Å
1145V93.3Very high88.4Confident7 Ų753.7 Ų53.74%0.04229%0.292CS..Hα-helixtrans-64.8-39.8175.4-1790000110.7I1050 W1116 L1118 E1141 R1147 H1148 T1149I1050-V1145 HydrophobicContact CD1-CB 4.1Å; I1050-V1145 HydrophobicContact CD1-CG1 3.67Å; I1050-V1145 HydrophobicContact CG1-CG1 3.85Å; W1116-V1145 HydrophobicContact CB-CG1 3.59Å; W1116-V1145 HydrophobicContact CD2-CG1 3.78Å; W1116-V1145 HydrophobicContact CE3-CG1 4.35Å; W1116-V1145 HydrophobicContact CE3-CG2 4.38Å; W1116-V1145 HydrophobicContact CG-CG1 3.42Å; W1116-V1145 VanDerWaalsContact CG-CG1 3.42Å; L1118-V1145 HydrophobicContact CD1-CG2 4.41Å; L1118-V1145 HydrophobicContact CD2-CG2 4.22Å; E1141-V1145 HydrophobicContact CG-CG2 4.39Å; E1141-V1145 WeakPolarHBondContact O-CG2 3.35Å; E1141-V1145 PolarHBondContact O-N 2.77Å; V1145-R1147 PolarHBondContact O-N 3.11Å; V1145-H1148 CarbonylContact O-C 3.52Å; V1145-H1148 WeakPolarHBondContact O-CA 3.38Å; V1145-H1148 WeakPolarHBondContact O-CB 3.33Å; V1145-H1148 PolarHBondContact O-N 3.03Å; V1145-H1148 VanDerWaalsContact O-N 3.09Å; V1145-T1149 HydrophobicContact CG1-CG2 4.3Å; V1145-T1149 PolarHBondContact O-N 3Å; V1145-T1149 PolarHBondContact O-OG1 2.9Å
1146R91.8Very high86.9Confident28 Ų2862.2 Ų62.211%0.10633%0.329CS..Hα-helixtrans-60.2-44.3174.9-168.4178.5-55.2-179.46.2112.6W1023 Y1025 I1050 V1142 Q1143 H1148 T1149 N1150 V1161 E1179W1023-R1146 VanDerWaalsContact CE3-NH1 3.25Å; Y1025-R1146 PolarHBondContact OH-NH1 2.83Å; I1050-R1146 VanDerWaalsContact CD1-CA 3.41Å; I1050-R1146 HydrophobicContact CD1-CB 3.86Å; I1050-R1146 HydrophobicContact CD1-CG 4.48Å; I1050-R1146 VanDerWaalsContact CD1-N 3.33Å; V1142-R1146 VanDerWaalsContact CG1-NH2 3.32Å; V1142-R1146 VanDerWaalsContact O-CB 3.3Å; V1142-R1146 WeakPolarHBondContact O-CB 3.26Å; V1142-R1146 PolarHBondContact O-N 2.81Å; Q1143-R1146 PolarHBondContact O-N 2.87Å; R1146-H1148 VanDerWaalsContact C-N 3.28Å; R1146-H1148 PolarHBondContact O-N 3.1Å; R1146-T1149 PolarHBondContact O-N 3.14Å; R1146-T1149 PolarHBondContact O-OG1 2.99Å; R1146-T1149 VanDerWaalsContact O-OG1 3.14Å; R1146-N1150 VanDerWaalsContact O-CB 3.22Å; R1146-N1150 WeakPolarHBondContact O-CB 3.45Å; R1146-N1150 PolarHBondContact O-N 3.48Å; R1146-N1150 PolarHBondContact O-OD1 3.42Å; R1146-N1150 VanDerWaalsContact O-OD1 3.1Å; R1146-V1161 HydrophobicContact CG-CG2 4.48Å; R1146-E1179 IonicContact CZ-OE1 3.12Å; R1146-E1179 IonicContact CZ-OE2 3.96Å; R1146-E1179 VanDerWaalsContact CZ-OE2 3.22Å; R1146-E1179 IonicContact NE-OE1 3.6Å; R1146-E1179 IonicContact NH1-OE1 2.65Å; R1146-E1179 PolarHBondContact NH1-OE1 3.09Å; R1146-E1179 IonicContact NH1-OE2 3.71Å; R1146-E1179 PolarHBondContact NH1-OE2 2.7Å; R1146-E1179 VanDerWaalsContact NH2-CD 3.25Å; R1146-E1179 IonicContact NH2-OE1 2.93Å; R1146-E1179 PolarHBondContact NH2-OE1 3.09Å; R1146-E1179 IonicContact NH2-OE2 3.31Å; R1146-E1179 PolarHBondContact NH2-OE2 3.25Å
1147R90.1Very high85.5Confident145 Ų14566.3 Ų66.355%0.54735%0.351SS..Hα-helixtrans-63.4-34.1173.9-72.7176.6-73.5-125.31.5111.6Q1143 S1144 V1145 A1151Q1143-R1147 WeakPolarHBondContact O-CB 3.45Å; Q1143-R1147 VanDerWaalsContact O-CG 3.3Å; Q1143-R1147 WeakPolarHBondContact O-CG 3.36Å; Q1143-R1147 PolarHBondContact O-N 3.4Å; Q1143-R1147 PolarHBondContact O-NE 2.86Å; S1144-R1147 PolarHBondContact O-N 3.48Å; V1145-R1147 PolarHBondContact O-N 3.11Å; R1147-A1151 WeakPolarHBondContact O-CB 3.33Å; R1147-A1151 PolarHBondContact O-N 3Å
1148H88.7Confident84.6Confident96 Ų9668 Ų6844%0.44436%0.357SS..Hα-helixtrans-72.8-45.5175.7-179.952.8000113.4W1116 S1144 V1145 R1146 A1151W1116-H1148 AromaticContact CZ2-CD2 3.85Å; S1144-H1148 PolarHBondContact O-N 3.2Å; V1145-H1148 CarbonylContact O-C 3.52Å; V1145-H1148 WeakPolarHBondContact O-CA 3.38Å; V1145-H1148 WeakPolarHBondContact O-CB 3.33Å; V1145-H1148 PolarHBondContact O-N 3.03Å; V1145-H1148 VanDerWaalsContact O-N 3.09Å; R1146-H1148 VanDerWaalsContact C-N 3.28Å; R1146-H1148 PolarHBondContact O-N 3.1Å; H1148-A1151 PolarHBondContact O-N 3.08Å
1149T87.3Confident84.1Confident16 Ų1668.8 Ų68.810%0.09836%0.362CS..Hα-helixtrans-66.5-42.7178.552.90000111.6I1050 V1145 R1146 A1151 I1152 S1153I1050-T1149 HydrophobicContact CD1-CG2 4.23Å; I1050-T1149 HydrophobicContact CG1-CG2 4.11Å; V1145-T1149 HydrophobicContact CG1-CG2 4.3Å; V1145-T1149 PolarHBondContact O-N 3Å; V1145-T1149 PolarHBondContact O-OG1 2.9Å; R1146-T1149 PolarHBondContact O-N 3.14Å; R1146-T1149 PolarHBondContact O-OG1 2.99Å; R1146-T1149 VanDerWaalsContact O-OG1 3.14Å; T1149-A1151 PolarHBondContact O-N 2.91Å; T1149-I1152 PolarHBondContact O-N 3.35Å; T1149-S1153 PolarHBondContact O-N 3.35Å; T1149-S1153 VanDerWaalsContact O-N 3.14Å
1150N84.2Confident84Confident67 Ų6769.1 Ų69.136%0.35836%0.364SS..Hα-helixtrans-73.7-13.6-176-62.515.9000112.7R1146 I1152R1146-N1150 VanDerWaalsContact O-CB 3.22Å; R1146-N1150 WeakPolarHBondContact O-CB 3.45Å; R1146-N1150 PolarHBondContact O-N 3.48Å; R1146-N1150 PolarHBondContact O-OD1 3.42Å; R1146-N1150 VanDerWaalsContact O-OD1 3.1Å; N1150-I1152 VanDerWaalsContact C-N 3.28Å
1151A81.8Confident84.2Confident83 Ų8363.7 Ų63.769%0.68634%0.339SS*.THydrogen-bonded Turntrans-81.5-516900000113.5R1147 H1148 T1149R1147-A1151 WeakPolarHBondContact O-CB 3.33Å; R1147-A1151 PolarHBondContact O-N 3Å; H1148-A1151 PolarHBondContact O-N 3.08Å; T1149-A1151 PolarHBondContact O-N 2.91Å
1152I77.3Confident84.3Confident128 Ų12861.6 Ų61.666%0.65633%0.329SS*.THydrogen-bonded Turntrans-116.4-25-177.4-59.8169.8000111.5T1149 N1150T1149-I1152 PolarHBondContact O-N 3.35Å; N1150-I1152 VanDerWaalsContact C-N 3.28Å
1153S74.4Confident84.4Confident36 Ų3661.6 Ų61.625%0.25233%0.329SS..SBendtrans-77.6165.8174.161.80000113.2T1149T1149-S1153 PolarHBondContact O-N 3.35Å; T1149-S1153 VanDerWaalsContact O-N 3.14Å
1154D72.1Confident84.7Confident87 Ų8760.7 Ų60.747%0.46533%0.325SS..  trans-66.5128167.9-174.1-37.5000108.8K1156 N1157D1154-K1156 PolarHBondContact O-N 3.07Å; D1154-K1156 WeakPolarHBondContact OD1-CB 3.39Å; D1154-K1156 WeakPolarHBondContact OD1-CG 3.38Å; D1154-K1156 PolarHBondContact OD1-N 3.21Å; D1154-N1157 PolarHBondContact O-N 3.31Å
1155P65.3Low84.8Confident126 Ų12658.2 Ų58.282%0.81831%0.307SS*.THydrogen-bonded Turntrans-62.3-5.8179.526-36000114.8
1156K63.7Low84.9Confident178 Ų17858.6 Ų58.677%0.77431%0.31SS*.THydrogen-bonded Turntrans-80.1-21.6170.1-65.9170.8-178.1170.70114D1154D1154-K1156 PolarHBondContact O-N 3.07Å; D1154-K1156 WeakPolarHBondContact OD1-CB 3.39Å; D1154-K1156 WeakPolarHBondContact OD1-CG 3.38Å; D1154-K1156 PolarHBondContact OD1-N 3.21Å
1157N66.3Low85Confident98 Ų9857.7 Ų57.752%0.52431%0.309SS..  trans-105.6113.1-178.7-76.36000110.5D1154 N1159D1154-N1157 PolarHBondContact O-N 3.31Å; N1157-N1159 PolarHBondContact O-N 3.39Å; N1157-N1159 PolarHBondContact O-OD1 2.9Å
1158I75.4Confident85.3Confident91 Ų9150.8 Ų50.847%0.46728%0.283SS..  trans-87.984.5172.2-53.2178.7000108.1
1159N86.1Confident85.7Confident17 Ų1746.2 Ų46.29%0.09126%0.261CS..PPolyproline II helixtrans-60.8125.5-179.7-68.619.1000110.2D1047 N1157D1047-N1159 PolarHBondContact O-ND2 2.88Å; D1047-N1159 VanDerWaalsContact O-ND2 3.13Å; D1047-N1159 PolarHBondContact OD2-ND2 2.8Å; N1157-N1159 PolarHBondContact O-N 3.39Å; N1157-N1159 PolarHBondContact O-OD1 2.9Å
1160P94.3Very high86.1Confident9 Ų945.5 Ų45.56%0.05826%0.257CS..PPolyproline II helixtrans-71.8146.6-175.327.6-33.3000112.4S1024 I1026 E1046 V1048S1024-P1160 WeakPolarHBondContact O-CA 3.36Å; I1026-P1160 HydrophobicContact CD1-CB 4.1Å; I1026-P1160 HydrophobicContact CD1-CG 3.68Å; I1026-P1160 HydrophobicContact CG1-CB 4.02Å; I1026-P1160 HydrophobicContact CG1-CG 4.16Å; E1046-P1160 HydrophobicContact CB-CG 4.29Å; E1046-P1160 WeakPolarHBondContact O-CD 3.48Å; V1048-P1160 HydrophobicContact CG2-CG 4.14Å
1161V97.4Very high86.7Confident4 Ų443.5 Ų43.52%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-89.2122.1166.5177.70000109.5S1024 Y1025 I1026 I1050 A1052 R1146 V1163S1024-V1161 PolarHBondContact O-N 3.18Å; S1024-V1161 VanDerWaalsContact O-N 3.11Å; Y1025-V1161 CarbonylContact C-O 3.6Å; Y1025-V1161 VanDerWaalsContact CA-O 3.22Å; Y1025-V1161 WeakPolarHBondContact CA-O 3.23Å; Y1025-V1161 HydrophobicContact CD1-CB 4.19Å; I1026-V1161 PolarHBondContact N-O 2.84Å; I1050-V1161 HydrophobicContact CB-CG1 4.13Å; I1050-V1161 HydrophobicContact CB-CG2 4.08Å; I1050-V1161 HydrophobicContact CD1-CG2 4.19Å; I1050-V1161 HydrophobicContact CG2-CG1 3.93Å; I1050-V1161 HydrophobicContact CG2-CG2 4.49Å; A1052-V1161 HydrophobicContact CB-CG1 4.49Å; R1146-V1161 HydrophobicContact CG-CG2 4.48Å; V1161-V1163 HydrophobicContact CG1-CG2 4.23Å; V1161-V1163 PolarHBondContact O-N 3.38Å
1162L98.6Very high87.4Confident0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-81.6117.5176.8-168.8-179000108.6I1026 A1028 F1039 M1042 V1043 V1048 I1050 I1051 A1052 H1164I1026-L1162 HydrophobicContact CB-CB 4.46Å; I1026-L1162 HydrophobicContact CB-CG 4.37Å; I1026-L1162 HydrophobicContact CG2-CG 4.21Å; I1026-L1162 CarbonylContact O-C 3.56Å; I1026-L1162 VanDerWaalsContact O-CA 3.32Å; I1026-L1162 WeakPolarHBondContact O-CA 3.38Å; A1028-L1162 HydrophobicContact CB-CD2 4Å; F1039-L1162 HydrophobicContact CE1-CD1 4.26Å; F1039-L1162 HydrophobicContact CE2-CD1 3.67Å; F1039-L1162 HydrophobicContact CE2-CD2 3.96Å; F1039-L1162 HydrophobicContact CE2-CG 4.45Å; F1039-L1162 HydrophobicContact CZ-CD1 3.52Å; F1039-L1162 HydrophobicContact CZ-CD2 4.04Å; F1039-L1162 HydrophobicContact CZ-CG 4.47Å; M1042-L1162 HydrophobicContact CE-CD1 3.5Å; M1042-L1162 VanDerWaalsContact CE-CD1 3.5Å; M1042-L1162 HydrophobicContact CE-CG 3.98Å; V1043-L1162 HydrophobicContact CG2-CD1 3.53Å; V1048-L1162 HydrophobicContact CG1-CB 3.61Å; V1048-L1162 HydrophobicContact CG1-CD1 4.29Å; V1048-L1162 HydrophobicContact CG2-CB 4.31Å; I1050-L1162 PolarHBondContact O-N 3.03Å; I1051-L1162 CarbonylContact C-O 3.54Å; I1051-L1162 WeakPolarHBondContact CA-O 3.39Å; I1051-L1162 HydrophobicContact CG1-CB 4.41Å; I1051-L1162 HydrophobicContact CG1-CD1 4.29Å; I1051-L1162 HydrophobicContact CG2-CD2 4.38Å; A1052-L1162 PolarHBondContact N-O 3.24Å; L1162-H1164 HydrophobicContact CD2-CB 4.07Å
1163V98.6Very high88.4Confident1 Ų133.5 Ų33.51%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-112.3124.8176.3-168.80000109.1Y1025 I1026 A1027 A1028 A1052 V1054 V1161 V1175 I1176Y1025-V1163 HydrophobicContact CD1-CG2 4.01Å; I1026-V1163 PolarHBondContact O-N 2.87Å; A1027-V1163 WeakPolarHBondContact CA-O 3.44Å; A1028-V1163 PolarHBondContact N-O 3.02Å; A1052-V1163 HydrophobicContact CB-CB 4.45Å; A1052-V1163 HydrophobicContact CB-CG1 4.23Å; A1052-V1163 HydrophobicContact CB-CG2 4.19Å; A1052-V1163 WeakPolarHBondContact O-CA 3.32Å; V1054-V1163 HydrophobicContact CG2-CG1 4.04Å; V1161-V1163 HydrophobicContact CG1-CG2 4.23Å; V1161-V1163 PolarHBondContact O-N 3.38Å; V1163-V1175 HydrophobicContact CG1-CB 4.24Å; V1163-V1175 HydrophobicContact CG1-CG1 4.06Å; V1163-I1176 HydrophobicContact CB-CD1 3.92Å; V1163-I1176 HydrophobicContact CB-CG1 4.17Å; V1163-I1176 HydrophobicContact CG1-CD1 4.41Å; V1163-I1176 HydrophobicContact CG1-CG1 4.35Å; V1163-I1176 HydrophobicContact CG2-CD1 3.91Å; V1163-I1176 HydrophobicContact CG2-CG1 3.79Å
1164H98.4Very high89.5Confident0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-137154177.387.890.8000112.6A1028 A1052 M1053 V1054 Y1068 L1162 S1172A1028-H1164 HydrophobicContact CB-CB 4.4Å; A1028-H1164 WeakPolarHBondContact O-CA 3.21Å; A1028-H1164 WeakPolarHBondContact O-CB 3.39Å; A1052-H1164 PolarHBondContact O-N 2.93Å; M1053-H1164 WeakPolarHBondContact CB-NE2 3.38Å; M1053-H1164 VanDerWaalsContact CG-CE1 3.48Å; M1053-H1164 WeakPolarHBondContact CG-CE1 3.37Å; M1053-H1164 WeakPolarHBondContact CG-NE2 3.38Å; V1054-H1164 PolarHBondContact N-O 3.19Å; Y1068-H1164 AromaticContact CE1-CE1 3.78Å; Y1068-H1164 AromaticContact CE1-NE2 3.45Å; Y1068-H1164 WeakPolarHBondContact CE1-NE2 3.23Å; Y1068-H1164 AromaticContact CZ-NE2 3.53Å; Y1068-H1164 PolarHBondContact OH-CD2 2.77Å; Y1068-H1164 PolarHBondContact OH-NE2 3.38Å; L1162-H1164 HydrophobicContact CD2-CB 4.07Å; H1164-S1172 WeakPolarHBondContact CA-OG 3.3Å
1165C95.2Very high90.8Very high5 Ų527.7 Ų27.73%0.03415%0.147CC..SBendtrans-132.1-128.9166.957.30000106.9G1030 V1054 G1168 R1171 S1172G1030-C1165 WeakPolarHBondContact CA-O 3.43Å; G1030-C1165 PolarHBondContact N-O 3.39Å; V1054-C1165 HydrophobicContact CB-CB 4.35Å; C1165-G1168 PolarHBondContact SG-N 3.16Å; C1165-R1171 HydrophobicContact CB-CB 3.86Å; C1165-S1172 PolarHBondContact N-OG 3.22Å; C1165-S1172 VanDerWaalsContact N-OG 3.11Å; C1165-S1172 PolarHBondContact SG-OG 3.46Å
1166S95.5Very high92.4Very high15 Ų1521.7 Ų21.711%0.10511%0.108CC..SBendtrans-85-60.8169.5-165.20000112.4R984 Q1029 G1030 K1064R984-S1166 VanDerWaalsContact CD-OG 3.3Å; R984-S1166 WeakPolarHBondContact CD-OG 3.22Å; Q1029-S1166 WeakPolarHBondContact CA-O 3.22Å; Q1029-S1166 WeakPolarHBondContact CB-O 3.35Å; G1030-S1166 PolarHBondContact N-O 2.67Å; K1064-S1166 WeakPolarHBondContact CA-OG 3.44Å; K1064-S1166 WeakPolarHBondContact O-CA 3.39Å; K1064-S1166 WeakPolarHBondContact O-CB 3.32Å; K1064-S1166 PolarHBondContact O-OG 3.34Å
1167A94.9Very high94Very high9 Ų913.2 Ų13.27%0.0747%0.071CC..SBendtrans-87.1-12177.800000114F985 V988 V1169 R1204F985-A1167 HydrophobicContact CD2-CB 3.57Å; F985-A1167 HydrophobicContact CE2-CB 3.64Å; F985-A1167 HydrophobicContact CG-CB 4.46Å; V988-A1167 HydrophobicContact CG1-CB 4.26Å; V988-A1167 HydrophobicContact CG2-CB 4.29Å; A1167-V1169 VanDerWaalsContact C-N 3.35Å; A1167-V1169 HydrophobicContact CB-CG2 3.99Å; A1167-R1204 PolarHBondContact O-NH2 2.95Å; A1167-R1204 VanDerWaalsContact O-NH2 3.09Å
1168G95.8Very high95.5Very high0 Ų08.5 Ų8.50%05%0.046CC..SBendtrans73.621.2-177.600000115.2A1028 C1165 R1204A1028-G1168 WeakPolarHBondContact O-CA 3.49Å; C1165-G1168 PolarHBondContact SG-N 3.16Å; G1168-R1204 PolarHBondContact O-NE 2.99Å
1169V97.3Very high96.5Very high0 Ų04.2 Ų4.20%02%0.024CC..SBendtrans-136.2-43.3-175.7-610000114.2V988 A1167 G1173 R1204 M1205 L1206 M1207 V1208 Q1209V988-V1169 HydrophobicContact CG1-CB 4.31Å; V988-V1169 HydrophobicContact CG1-CG1 3.54Å; V988-V1169 HydrophobicContact CG1-CG2 3.72Å; V988-V1169 HydrophobicContact CG2-CG2 4.42Å; A1167-V1169 VanDerWaalsContact C-N 3.35Å; A1167-V1169 HydrophobicContact CB-CG2 3.99Å; V1169-G1173 VanDerWaalsContact O-CA 3.27Å; V1169-G1173 WeakPolarHBondContact O-CA 3.33Å; V1169-G1173 PolarHBondContact O-N 3.32Å; V1169-R1204 HydrophobicContact CG1-CG 3.94Å; V1169-R1204 VanDerWaalsContact CG1-NE 3.32Å; V1169-M1205 VanDerWaalsContact CG1-O 3.23Å; V1169-M1205 WeakPolarHBondContact CG1-O 3.48Å; V1169-L1206 HydrophobicContact CB-CB 4.45Å; V1169-L1206 HydrophobicContact CG2-CB 4.12Å; V1169-M1207 HydrophobicContact CB-SD 4.34Å; V1169-M1207 HydrophobicContact CG1-SD 4.41Å; V1169-M1207 WeakPolarHBondContact O-CA 3.23Å; V1169-V1208 PolarHBondContact O-N 3.21Å; V1169-Q1209 HydrophobicContact CG2-CG 3.95Å
1170G95.6Very high96.9Very high1 Ų13.4 Ų3.41%0.012%0.02CC..Hα-helixtrans-67.3-85.2178.900000113S1172 G1173 V1174G1170-S1172 VanDerWaalsContact C-N 3.29Å; G1170-S1172 PolarHBondContact O-N 3.17Å; G1170-G1173 PolarHBondContact O-N 3.32Å; G1170-V1174 PolarHBondContact O-N 3.24Å; G1170-V1174 VanDerWaalsContact O-N 3.11Å
1171R96.6Very high97Very high26 Ų263.5 Ų3.510%0.0982%0.02CC..Hα-helixtrans-61.3-34.6179.4-54.7-175.9173.9143.4-5.6113V1054 T1055 E1059 W1123 P1124 C1165 V1174 V1175V1054-R1171 HydrophobicContact CB-CB 4.12Å; V1054-R1171 HydrophobicContact CG1-CB 3.83Å; V1054-R1171 WeakPolarHBondContact O-CD 3.22Å; T1055-R1171 PolarHBondContact OG1-NH1 2.78Å; T1055-R1171 VanDerWaalsContact OG1-NH1 3.16Å; E1059-R1171 IonicContact OE1-CZ 2.72Å; E1059-R1171 IonicContact OE1-NH1 2.81Å; E1059-R1171 PolarHBondContact OE1-NH1 3.39Å; E1059-R1171 IonicContact OE1-NH2 3.25Å; E1059-R1171 IonicContact OE2-CZ 2.77Å; E1059-R1171 VanDerWaalsContact OE2-CZ 3.25Å; E1059-R1171 IonicContact OE2-NH1 3.01Å; E1059-R1171 PolarHBondContact OE2-NH1 2.92Å; E1059-R1171 IonicContact OE2-NH2 3.64Å; E1059-R1171 PolarHBondContact OE2-NH2 2.76Å; W1123-R1171 HydrophobicContact CD2-CB 4.32Å; W1123-R1171 HydrophobicContact CD2-CG 3.74Å; W1123-R1171 HydrophobicContact CE3-CB 4.01Å; W1123-R1171 HydrophobicContact CE3-CG 3.96Å; W1123-R1171 HydrophobicContact CG-CG 4.4Å; W1123-R1171 HydrophobicContact CH2-CB 3.88Å; W1123-R1171 HydrophobicContact CH2-CG 3.87Å; W1123-R1171 HydrophobicContact CZ2-CB 4.21Å; W1123-R1171 HydrophobicContact CZ2-CG 3.66Å; W1123-R1171 HydrophobicContact CZ3-CB 3.77Å; W1123-R1171 HydrophobicContact CZ3-CG 4.01Å; P1124-R1171 PolarHBondContact O-NH2 2.86Å; P1124-R1171 VanDerWaalsContact O-NH2 3.07Å; C1165-R1171 HydrophobicContact CB-CB 3.86Å; R1171-V1174 PolarHBondContact O-N 3.28Å; R1171-V1175 PolarHBondContact O-N 3.2Å; R1171-V1175 VanDerWaalsContact O-N 3.1Å
1172S97.8Very high96.9Very high0 Ų03.4 Ų3.40%02%0.019CC..Hα-helixtrans-63.4-39.1172.6-57.80000112.6H1164 C1165 G1170 V1175 I1176H1164-S1172 WeakPolarHBondContact CA-OG 3.3Å; C1165-S1172 PolarHBondContact N-OG 3.22Å; C1165-S1172 VanDerWaalsContact N-OG 3.11Å; C1165-S1172 PolarHBondContact SG-OG 3.46Å; G1170-S1172 VanDerWaalsContact C-N 3.29Å; G1170-S1172 PolarHBondContact O-N 3.17Å; S1172-V1175 PolarHBondContact O-N 3.36Å; S1172-I1176 WeakPolarHBondContact O-CG1 3.38Å; S1172-I1176 PolarHBondContact O-N 3.43Å
1173G97.8Very high96.6Very high0 Ų03.4 Ų3.40%02%0.019CC..Hα-helixtrans-65.5-38.1174.900000112.2V1169 G1170 L1177V1169-G1173 VanDerWaalsContact O-CA 3.27Å; V1169-G1173 WeakPolarHBondContact O-CA 3.33Å; V1169-G1173 PolarHBondContact O-N 3.32Å; G1170-G1173 PolarHBondContact O-N 3.32Å; G1173-L1177 WeakPolarHBondContact O-CB 3.21Å; G1173-L1177 PolarHBondContact O-N 3.13Å
1174V98.1Very high96.2Very high0 Ų03.5 Ų3.50%02%0.02CC..Hα-helixtrans-62.2-48.8173.61730000111.6W1123 F1135 G1170 R1171 I1176 L1177 S1178 V1208 Q1213 F1216 V1217W1123-V1174 HydrophobicContact CH2-CB 3.85Å; W1123-V1174 HydrophobicContact CH2-CG1 3.84Å; W1123-V1174 HydrophobicContact CH2-CG2 3.99Å; W1123-V1174 HydrophobicContact CZ3-CB 4.43Å; W1123-V1174 HydrophobicContact CZ3-CG1 4.31Å; F1135-V1174 HydrophobicContact CE1-CG1 4.4Å; F1135-V1174 HydrophobicContact CZ-CG1 3.9Å; G1170-V1174 PolarHBondContact O-N 3.24Å; G1170-V1174 VanDerWaalsContact O-N 3.11Å; R1171-V1174 PolarHBondContact O-N 3.28Å; V1174-I1176 PolarHBondContact O-N 2.93Å; V1174-L1177 PolarHBondContact O-N 2.84Å; V1174-S1178 WeakPolarHBondContact O-CB 3.44Å; V1174-S1178 PolarHBondContact O-N 3.38Å; V1174-S1178 PolarHBondContact O-OG 3.4Å; V1174-V1208 HydrophobicContact CG2-CG1 4.42Å; V1174-V1208 HydrophobicContact CG2-CG2 4.32Å; V1174-Q1213 HydrophobicContact CG2-CB 3.65Å; V1174-Q1213 HydrophobicContact CG2-CG 4.12Å; V1174-F1216 HydrophobicContact CG1-CD1 3.67Å; V1174-F1216 HydrophobicContact CG1-CE1 3.88Å; V1174-V1217 HydrophobicContact CB-CG2 4.29Å; V1174-V1217 HydrophobicContact CG1-CG2 3.85Å; V1174-V1217 HydrophobicContact CG2-CG2 4.23Å
1175V98Very high95.9Very high1 Ų14.8 Ų4.81%0.0063%0.026CC..Hα-helixtrans-61.2-46.4179.2166.20000111.8V1054 F1135 Y1138 L1139 V1163 R1171 S1172 E1179V1054-V1175 HydrophobicContact CB-CG2 4.46Å; V1054-V1175 HydrophobicContact CG1-CG2 3.82Å; V1054-V1175 HydrophobicContact CG2-CB 4.36Å; V1054-V1175 HydrophobicContact CG2-CG2 3.75Å; F1135-V1175 HydrophobicContact CE2-CG2 3.8Å; F1135-V1175 HydrophobicContact CZ-CG2 3.73Å; Y1138-V1175 HydrophobicContact CE1-CG1 4.45Å; Y1138-V1175 HydrophobicContact CE1-CG2 4.07Å; L1139-V1175 HydrophobicContact CD2-CG1 3.97Å; V1163-V1175 HydrophobicContact CG1-CB 4.24Å; V1163-V1175 HydrophobicContact CG1-CG1 4.06Å; R1171-V1175 PolarHBondContact O-N 3.2Å; R1171-V1175 VanDerWaalsContact O-N 3.1Å; S1172-V1175 PolarHBondContact O-N 3.36Å; V1175-E1179 WeakPolarHBondContact O-CB 3.21Å; V1175-E1179 PolarHBondContact O-N 2.64Å
1176I98.3Very high95.6Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-67.5-43.3179.3-68.1167.7000111.2Y1025 A1027 V1163 S1172 V1174 L1180 L1200 M1207Y1025-I1176 HydrophobicContact CD1-CD1 4.37Å; Y1025-I1176 HydrophobicContact CD1-CG1 4Å; Y1025-I1176 HydrophobicContact CD2-CG2 4.03Å; Y1025-I1176 HydrophobicContact CE1-CG1 4.23Å; Y1025-I1176 HydrophobicContact CE2-CG2 3.92Å; Y1025-I1176 HydrophobicContact CG-CD1 4.21Å; Y1025-I1176 HydrophobicContact CG-CG1 4.19Å; Y1025-I1176 HydrophobicContact CG-CG2 4.44Å; A1027-I1176 HydrophobicContact CB-CD1 4.16Å; V1163-I1176 HydrophobicContact CB-CD1 3.92Å; V1163-I1176 HydrophobicContact CB-CG1 4.17Å; V1163-I1176 HydrophobicContact CG1-CD1 4.41Å; V1163-I1176 HydrophobicContact CG1-CG1 4.35Å; V1163-I1176 HydrophobicContact CG2-CD1 3.91Å; V1163-I1176 HydrophobicContact CG2-CG1 3.79Å; S1172-I1176 WeakPolarHBondContact O-CG1 3.38Å; S1172-I1176 PolarHBondContact O-N 3.43Å; V1174-I1176 PolarHBondContact O-N 2.93Å; I1176-L1180 HydrophobicContact CG2-CD1 3.72Å; I1176-L1180 HydrophobicContact CG2-CG 4.38Å; I1176-L1180 WeakPolarHBondContact O-CB 3.31Å; I1176-L1180 VanDerWaalsContact O-CG 3.22Å; I1176-L1180 WeakPolarHBondContact O-CG 3.46Å; I1176-L1180 PolarHBondContact O-N 2.9Å; I1176-L1200 HydrophobicContact CG2-CD1 4.11Å; I1176-L1200 HydrophobicContact CG2-CD2 3.53Å; I1176-M1207 HydrophobicContact CB-CE 4.4Å; I1176-M1207 HydrophobicContact CD1-CE 3.95Å
1177L98.2Very high95.1Very high0 Ų012 Ų120%06%0.058CC..Hα-helixtrans-67.1-43.6-180-175.559.4000111.7G1173 V1174 L1180 M1181 V1193 V1196 L1197 L1200 V1208 Y1214 V1217G1173-L1177 WeakPolarHBondContact O-CB 3.21Å; G1173-L1177 PolarHBondContact O-N 3.13Å; V1174-L1177 PolarHBondContact O-N 2.84Å; L1177-L1180 PolarHBondContact O-N 3.01Å; L1177-M1181 HydrophobicContact CD1-CG 3.91Å; L1177-M1181 HydrophobicContact CG-CG 4.27Å; L1177-M1181 VanDerWaalsContact O-CB 3.3Å; L1177-M1181 WeakPolarHBondContact O-CB 3.43Å; L1177-M1181 VanDerWaalsContact O-CG 3.26Å; L1177-M1181 WeakPolarHBondContact O-CG 3.45Å; L1177-M1181 PolarHBondContact O-N 3.48Å; L1177-V1193 HydrophobicContact CD1-CG1 4.48Å; L1177-V1193 HydrophobicContact CD2-CG1 3.91Å; L1177-V1193 HydrophobicContact CG-CG1 4.36Å; L1177-V1196 HydrophobicContact CD1-CB 3.72Å; L1177-V1196 HydrophobicContact CD1-CG1 3.54Å; L1177-L1197 HydrophobicContact CD1-CB 4.47Å; L1177-L1197 HydrophobicContact CD2-CB 4.1Å; L1177-L1197 HydrophobicContact CD2-CD1 4.25Å; L1177-L1200 HydrophobicContact CB-CD1 3.8Å; L1177-L1200 HydrophobicContact CD1-CD1 3.98Å; L1177-L1200 HydrophobicContact CG-CD1 4.42Å; L1177-V1208 HydrophobicContact CD2-CG2 4.03Å; L1177-Y1214 HydrophobicContact CD2-CE2 4.42Å; L1177-V1217 HydrophobicContact CD2-CG1 4.17Å; L1177-V1217 HydrophobicContact CD2-CG2 4.26Å; L1177-V1217 HydrophobicContact CG-CG1 4.1Å
1178S97.6Very high94.7Very high0 Ų014.7 Ų14.70%07%0.071CC..Hα-helixtrans-63.9-42.8176.4-68.50000112.2V1174 M1181 I1182V1174-S1178 WeakPolarHBondContact O-CB 3.44Å; V1174-S1178 PolarHBondContact O-N 3.38Å; V1174-S1178 PolarHBondContact O-OG 3.4Å; S1178-M1181 PolarHBondContact O-N 3.09Å; S1178-I1182 WeakPolarHBondContact O-CB 3.45Å; S1178-I1182 VanDerWaalsContact O-CG1 3.23Å; S1178-I1182 WeakPolarHBondContact O-CG1 3.32Å; S1178-I1182 PolarHBondContact O-N 3.01Å
1179E95.9Very high94.3Very high1 Ų118.5 Ų18.51%0.0059%0.089CC..Hα-helixtrans-65.2-40.9177.6-169.8177.6-157.100112W1023 Y1025 Q1143 R1146 V1175 A1183W1023-E1179 HydrophobicContact CZ3-CG 3.98Å; Y1025-E1179 WeakPolarHBondContact CE1-OE2 3.27Å; Y1025-E1179 PolarHBondContact OH-OE2 3.1Å; Q1143-E1179 WeakPolarHBondContact CG-OE1 3.25Å; R1146-E1179 IonicContact CZ-OE1 3.12Å; R1146-E1179 IonicContact CZ-OE2 3.96Å; R1146-E1179 VanDerWaalsContact CZ-OE2 3.22Å; R1146-E1179 IonicContact NE-OE1 3.6Å; R1146-E1179 IonicContact NH1-OE1 2.65Å; R1146-E1179 PolarHBondContact NH1-OE1 3.09Å; R1146-E1179 IonicContact NH1-OE2 3.71Å; R1146-E1179 PolarHBondContact NH1-OE2 2.7Å; R1146-E1179 VanDerWaalsContact NH2-CD 3.25Å; R1146-E1179 IonicContact NH2-OE1 2.93Å; R1146-E1179 PolarHBondContact NH2-OE1 3.09Å; R1146-E1179 IonicContact NH2-OE2 3.31Å; R1146-E1179 PolarHBondContact NH2-OE2 3.25Å; V1175-E1179 WeakPolarHBondContact O-CB 3.21Å; V1175-E1179 PolarHBondContact O-N 2.64Å; E1179-A1183 PolarHBondContact O-N 2.8Å
1180L96.3Very high93.6Very high0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-66.9-43.4175.5-71171.1000112.4V1016 I1018 W1023 Y1025 I1176 L1177 A1183 C1184 V1196 L1200V1016-L1180 HydrophobicContact CB-CD1 4.09Å; V1016-L1180 HydrophobicContact CB-CD2 3.96Å; V1016-L1180 HydrophobicContact CG1-CD1 4.29Å; V1016-L1180 HydrophobicContact CG1-CD2 4.13Å; V1016-L1180 HydrophobicContact CG2-CD1 3.82Å; I1018-L1180 HydrophobicContact CD1-CB 3.96Å; I1018-L1180 HydrophobicContact CD1-CD2 3.55Å; I1018-L1180 HydrophobicContact CD1-CG 4.35Å; I1018-L1180 WeakPolarHBondContact CD1-O 3.13Å; W1023-L1180 HydrophobicContact CB-CD2 3.71Å; W1023-L1180 HydrophobicContact CD2-CD2 4.23Å; W1023-L1180 HydrophobicContact CG-CD2 3.76Å; Y1025-L1180 HydrophobicContact CE2-CD1 4.37Å; Y1025-L1180 HydrophobicContact CE2-CD2 4.06Å; Y1025-L1180 HydrophobicContact CE2-CG 4.24Å; I1176-L1180 HydrophobicContact CG2-CD1 3.72Å; I1176-L1180 HydrophobicContact CG2-CG 4.38Å; I1176-L1180 WeakPolarHBondContact O-CB 3.31Å; I1176-L1180 VanDerWaalsContact O-CG 3.22Å; I1176-L1180 WeakPolarHBondContact O-CG 3.46Å; I1176-L1180 PolarHBondContact O-N 2.9Å; L1177-L1180 PolarHBondContact O-N 3.01Å; L1180-A1183 WeakPolarHBondContact O-CB 3.43Å; L1180-A1183 PolarHBondContact O-N 3.19Å; L1180-C1184 PolarHBondContact O-N 3.41Å; L1180-C1184 PolarHBondContact O-SG 3.12Å; L1180-C1184 VanDerWaalsContact O-SG 3.34Å; L1180-V1196 HydrophobicContact CB-CG1 4.01Å; L1180-V1196 HydrophobicContact CD1-CG1 3.97Å; L1180-L1200 HydrophobicContact CD1-CD2 3.85Å; L1180-L1200 HydrophobicContact CD1-CG 4.5Å
1181M95.9Very high93.1Very high10 Ų1027.4 Ų27.45%0.04914%0.141CC..Hα-helixtrans-69-33.7178.6-72.5-56-47.300112.3L1177 S1178 C1184 L1185 L1191 V1193 V1196 L1221L1177-M1181 HydrophobicContact CD1-CG 3.91Å; L1177-M1181 HydrophobicContact CG-CG 4.27Å; L1177-M1181 VanDerWaalsContact O-CB 3.3Å; L1177-M1181 WeakPolarHBondContact O-CB 3.43Å; L1177-M1181 VanDerWaalsContact O-CG 3.26Å; L1177-M1181 WeakPolarHBondContact O-CG 3.45Å; L1177-M1181 PolarHBondContact O-N 3.48Å; S1178-M1181 PolarHBondContact O-N 3.09Å; M1181-C1184 HydrophobicContact CE-CB 4.36Å; M1181-C1184 WeakPolarHBondContact O-CB 3.41Å; M1181-C1184 PolarHBondContact O-N 3.42Å; M1181-L1185 WeakPolarHBondContact O-CG 3.37Å; M1181-L1185 PolarHBondContact O-N 2.94Å; M1181-L1191 WeakPolarHBondContact CE-O 3.09Å; M1181-V1193 HydrophobicContact CE-CG2 3.89Å; M1181-V1193 HydrophobicContact CG-CG2 4.34Å; M1181-V1193 HydrophobicContact SD-CB 4.49Å; M1181-V1193 HydrophobicContact SD-CG2 4.25Å; M1181-V1196 HydrophobicContact SD-CB 3.91Å; M1181-V1196 HydrophobicContact SD-CG1 4.49Å; M1181-V1196 HydrophobicContact SD-CG2 3.59Å; M1181-V1196 VanDerWaalsContact SD-CG2 3.59Å; M1181-L1221 HydrophobicContact CB-CD1 3.64Å; M1181-L1221 HydrophobicContact CB-CD2 3.53Å; M1181-L1221 HydrophobicContact CB-CG 4.2Å; M1181-L1221 HydrophobicContact CG-CD1 4.08Å
1182I94.2Very high92.8Very high3 Ų329.3 Ų29.32%0.01516%0.155CC..Hα-helixtrans-61.2-45.4168.5-73.9167.9000110L1136 L1139 S1178 C1184 L1185 E1186 L1221 Y1224L1136-I1182 HydrophobicContact CD2-CD1 3.97Å; L1139-I1182 HydrophobicContact CD1-CD1 3.88Å; S1178-I1182 WeakPolarHBondContact O-CB 3.45Å; S1178-I1182 VanDerWaalsContact O-CG1 3.23Å; S1178-I1182 WeakPolarHBondContact O-CG1 3.32Å; S1178-I1182 PolarHBondContact O-N 3.01Å; I1182-C1184 VanDerWaalsContact C-N 3.31Å; I1182-C1184 PolarHBondContact O-N 2.88Å; I1182-L1185 PolarHBondContact O-N 2.9Å; I1182-L1185 VanDerWaalsContact O-N 3.1Å; I1182-E1186 HydrophobicContact CG2-CG 4.35Å; I1182-E1186 WeakPolarHBondContact O-CG 3.38Å; I1182-E1186 PolarHBondContact O-N 3.34Å; I1182-L1221 HydrophobicContact CG1-CD2 3.87Å; I1182-Y1224 HydrophobicContact CD1-CD2 3.94Å; I1182-Y1224 HydrophobicContact CD1-CE2 4.48Å; I1182-Y1224 HydrophobicContact CD1-CG 4.29Å; I1182-Y1224 HydrophobicContact CG1-CD1 4.37Å; I1182-Y1224 HydrophobicContact CG1-CD2 4Å; I1182-Y1224 HydrophobicContact CG1-CE2 4.37Å; I1182-Y1224 HydrophobicContact CG1-CG 4.01Å; I1182-Y1224 HydrophobicContact CG2-CD2 4.07Å; I1182-Y1224 HydrophobicContact CG2-CE1 4.24Å; I1182-Y1224 HydrophobicContact CG2-CE2 3.57Å
1183A91.9Very high92.7Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-61.2-36.8174.900000112.9I1018 W1023 E1179 L1180 E1186 H1187I1018-A1183 HydrophobicContact CD1-CB 4.31Å; I1018-A1183 HydrophobicContact CG2-CB 4.38Å; W1023-A1183 HydrophobicContact CH2-CB 3.95Å; W1023-A1183 HydrophobicContact CZ2-CB 3.39Å; E1179-A1183 PolarHBondContact O-N 2.8Å; L1180-A1183 WeakPolarHBondContact O-CB 3.43Å; L1180-A1183 PolarHBondContact O-N 3.19Å; A1183-E1186 PolarHBondContact O-N 2.66Å; A1183-H1187 WeakPolarHBondContact O-CB 3.34Å; A1183-H1187 PolarHBondContact O-CD2 3.27Å; A1183-H1187 PolarHBondContact O-N 3.46Å
1184C92Very high92.6Very high2 Ų230.4 Ų30.41%0.01416%0.162CC..Hα-helixtrans-61.4-44.2172-65.50000111.8L1180 M1181 I1182 H1187 N1188 E1189L1180-C1184 PolarHBondContact O-N 3.41Å; L1180-C1184 PolarHBondContact O-SG 3.12Å; L1180-C1184 VanDerWaalsContact O-SG 3.34Å; M1181-C1184 HydrophobicContact CE-CB 4.36Å; M1181-C1184 WeakPolarHBondContact O-CB 3.41Å; M1181-C1184 PolarHBondContact O-N 3.42Å; I1182-C1184 VanDerWaalsContact C-N 3.31Å; I1182-C1184 PolarHBondContact O-N 2.88Å; C1184-H1187 PolarHBondContact O-N 2.84Å; C1184-N1188 PolarHBondContact O-N 3.34Å; C1184-E1189 HydrophobicContact CB-CB 4.19Å; C1184-E1189 PolarHBondContact O-N 2.84Å
1185L90.6Very high92.5Very high27 Ų2734.3 Ų34.314%0.14118%0.18CC..Hα-helixtrans-66.5-38.9178.3-68.1172.2000112.6K942 M1181 I1182 N1188 L1221 Y1224 L1225K942-L1185 HydrophobicContact CD-CD2 4.11Å; M1181-L1185 WeakPolarHBondContact O-CG 3.37Å; M1181-L1185 PolarHBondContact O-N 2.94Å; I1182-L1185 PolarHBondContact O-N 2.9Å; I1182-L1185 VanDerWaalsContact O-N 3.1Å; L1185-N1188 PolarHBondContact O-OD1 3.4Å; L1185-L1221 HydrophobicContact CD1-CB 4.34Å; L1185-L1221 HydrophobicContact CD1-CD2 3.8Å; L1185-Y1224 HydrophobicContact CD1-CD1 4.26Å; L1185-L1225 HydrophobicContact CD1-CD1 4.19Å; L1185-L1225 HydrophobicContact CD1-CD2 4.12Å; L1185-L1225 HydrophobicContact CD1-CG 4.01Å; L1185-L1225 HydrophobicContact CD2-CD1 4.28Å; L1185-L1225 HydrophobicContact CD2-CD2 4.31Å
1186E88.7Confident92.4Very high88 Ų8834.2 Ų34.241%0.41118%0.18SC..Hα-helixtrans-66.8-36.2175.8-74.4-179179.300112.7I1182 A1183 Y1224I1182-E1186 HydrophobicContact CG2-CG 4.35Å; I1182-E1186 WeakPolarHBondContact O-CG 3.38Å; I1182-E1186 PolarHBondContact O-N 3.34Å; A1183-E1186 PolarHBondContact O-N 2.66Å; E1186-Y1224 WeakPolarHBondContact CG-OH 3.41Å; E1186-Y1224 PolarHBondContact OE1-OH 3.06Å
1187H86.2Confident92.4Very high84 Ų8434.2 Ų34.239%0.38918%0.18SC..Hα-helixtrans-93.20.5-179.5-68.7-56.9000114.5A1183 C1184 E1189A1183-H1187 WeakPolarHBondContact O-CB 3.34Å; A1183-H1187 PolarHBondContact O-CD2 3.27Å; A1183-H1187 PolarHBondContact O-N 3.46Å; C1184-H1187 PolarHBondContact O-N 2.84Å; H1187-E1189 HydrophobicContact CB-CG 3.96Å; H1187-E1189 PolarHBondContact O-N 3.24Å
1188N85.3Confident92.3Very high66 Ų6639.4 Ų39.435%0.35320%0.199SC..THydrogen-bonded Turntrans54.934.6-172-69-18.1000113.8Q936 K942 C1184 L1185Q936-N1188 PolarHBondContact OE1-ND2 3Å; K942-N1188 PolarHBondContact NZ-OD1 3.35Å; C1184-N1188 PolarHBondContact O-N 3.34Å; L1185-N1188 PolarHBondContact O-OD1 3.4Å
1189E87.3Confident92.2Very high80 Ų8042 Ų4237%0.37421%0.212SC..  trans-77.9139.4176.9-72-76-167.500111.4I1018 G1019 C1184 H1187 L1191I1018-E1189 HydrophobicContact CG2-CB 4.34Å; I1018-E1189 HydrophobicContact CG2-CG 3.83Å; G1019-E1189 WeakPolarHBondContact CA-OE1 3.21Å; G1019-E1189 PolarHBondContact N-OE1 3.14Å; C1184-E1189 HydrophobicContact CB-CB 4.19Å; C1184-E1189 PolarHBondContact O-N 2.84Å; H1187-E1189 HydrophobicContact CB-CG 3.96Å; H1187-E1189 PolarHBondContact O-N 3.24Å; E1189-L1191 PolarHBondContact O-N 2.96Å; E1189-L1191 VanDerWaalsContact O-N 3.14Å
1190V83.2Confident92.3Very high137 Ų13741.9 Ų41.983%0.8321%0.212SC*.  trans-87.426.3-171.1-153.40000112.6
1191L85.3Confident92.3Very high51 Ų5142 Ų4227%0.26721%0.212SC..  trans-84.1132.6-179.8-68.7172.6000111I1018 M1181 E1189 V1196I1018-L1191 HydrophobicContact CG1-CD1 4.42Å; M1181-L1191 WeakPolarHBondContact CE-O 3.09Å; E1189-L1191 PolarHBondContact O-N 2.96Å; E1189-L1191 VanDerWaalsContact O-N 3.14Å; L1191-V1196 HydrophobicContact CB-CG2 3.97Å; L1191-V1196 HydrophobicContact CD1-CG2 4.34Å
1192T91.5Very high92.3Very high65 Ų6544.2 Ų44.240%0.39922%0.224SC..  trans-90.1156.9177.467.60000112.6E1195 V1196T1192-E1195 WeakPolarHBondContact CB-OE2 3.44Å; T1192-E1195 WeakPolarHBondContact CG2-OE2 3.39Å; T1192-E1195 PolarHBondContact N-OE2 3.11Å; T1192-E1195 PolarHBondContact O-N 3.42Å; T1192-E1195 VanDerWaalsContact O-N 3.15Å; T1192-E1195 VanDerWaalsContact OG1-CD 3.26Å; T1192-E1195 VanDerWaalsContact OG1-CG 3.26Å; T1192-E1195 WeakPolarHBondContact OG1-CG 3.47Å; T1192-E1195 PolarHBondContact OG1-OE2 3.26Å; T1192-V1196 PolarHBondContact O-N 2.89Å; T1192-V1196 VanDerWaalsContact O-N 3.07Å
1193V94.9Very high92.4Very high3 Ų346.3 Ų46.32%0.01823%0.234CC..Hα-helixtrans-54.2-45177.2-168.10000113.3L1177 M1181 E1195 L1197 Y1214 V1217 Y1218 L1221L1177-V1193 HydrophobicContact CD1-CG1 4.48Å; L1177-V1193 HydrophobicContact CD2-CG1 3.91Å; L1177-V1193 HydrophobicContact CG-CG1 4.36Å; M1181-V1193 HydrophobicContact CE-CG2 3.89Å; M1181-V1193 HydrophobicContact CG-CG2 4.34Å; M1181-V1193 HydrophobicContact SD-CB 4.49Å; M1181-V1193 HydrophobicContact SD-CG2 4.25Å; V1193-E1195 VanDerWaalsContact C-N 3.35Å; V1193-E1195 PolarHBondContact O-N 3.48Å; V1193-L1197 VanDerWaalsContact O-CB 3.27Å; V1193-L1197 WeakPolarHBondContact O-CB 3.38Å; V1193-L1197 PolarHBondContact O-N 3.06Å; V1193-Y1214 HydrophobicContact CG1-CE2 3.7Å; V1193-V1217 HydrophobicContact CG1-CG1 4.17Å; V1193-Y1218 HydrophobicContact CB-CE2 3.77Å; V1193-Y1218 HydrophobicContact CG1-CD2 4.4Å; V1193-Y1218 HydrophobicContact CG1-CE2 3.8Å; V1193-Y1218 HydrophobicContact CG2-CE1 4.06Å; V1193-Y1218 HydrophobicContact CG2-CE2 3.85Å; V1193-L1221 HydrophobicContact CG2-CD1 3.96Å
1194P95.9Very high92.7Very high21 Ų2146.3 Ų46.314%0.13623%0.234CC..Hα-helixtrans-67.4-30.9177.224.8-34.7000113.6E958 V962 R1198 Y1214E958-P1194 HydrophobicContact CG-CB 3.88Å; E958-P1194 HydrophobicContact CG-CG 3.87Å; V962-P1194 HydrophobicContact CG2-CB 3.67Å; P1194-R1198 WeakPolarHBondContact O-CB 3.32Å; P1194-R1198 PolarHBondContact O-N 3.3Å; P1194-Y1214 WeakPolarHBondContact CA-OH 3.45Å; P1194-Y1214 WeakPolarHBondContact CD-OH 3.25Å
1195E95.3Very high92.8Very high81 Ų8147 Ų4738%0.37924%0.237SC..Hα-helixtrans-68.9-46.7176.1-71.8169.7123.800111.8T1192 V1193 L1197 R1198 M1199T1192-E1195 WeakPolarHBondContact CB-OE2 3.44Å; T1192-E1195 WeakPolarHBondContact CG2-OE2 3.39Å; T1192-E1195 PolarHBondContact N-OE2 3.11Å; T1192-E1195 PolarHBondContact O-N 3.42Å; T1192-E1195 VanDerWaalsContact O-N 3.15Å; T1192-E1195 VanDerWaalsContact OG1-CD 3.26Å; T1192-E1195 VanDerWaalsContact OG1-CG 3.26Å; T1192-E1195 WeakPolarHBondContact OG1-CG 3.47Å; T1192-E1195 PolarHBondContact OG1-OE2 3.26Å; V1193-E1195 VanDerWaalsContact C-N 3.35Å; V1193-E1195 PolarHBondContact O-N 3.48Å; E1195-L1197 VanDerWaalsContact C-N 3.34Å; E1195-R1198 WeakPolarHBondContact O-CB 3.44Å; E1195-R1198 PolarHBondContact O-N 3.26Å; E1195-M1199 WeakPolarHBondContact O-CG 3.49Å; E1195-M1199 PolarHBondContact O-N 3.21Å
1196V96.3Very high93.1Very high0 Ų047.6 Ų47.60%024%0.24CC..Hα-helixtrans-66-39.4175.7-176.80000110.2L1177 L1180 M1181 L1191 T1192 R1198 M1199 L1200L1177-V1196 HydrophobicContact CD1-CB 3.72Å; L1177-V1196 HydrophobicContact CD1-CG1 3.54Å; L1180-V1196 HydrophobicContact CB-CG1 4.01Å; L1180-V1196 HydrophobicContact CD1-CG1 3.97Å; M1181-V1196 HydrophobicContact SD-CB 3.91Å; M1181-V1196 HydrophobicContact SD-CG1 4.49Å; M1181-V1196 HydrophobicContact SD-CG2 3.59Å; M1181-V1196 VanDerWaalsContact SD-CG2 3.59Å; L1191-V1196 HydrophobicContact CB-CG2 3.97Å; L1191-V1196 HydrophobicContact CD1-CG2 4.34Å; T1192-V1196 PolarHBondContact O-N 2.89Å; T1192-V1196 VanDerWaalsContact O-N 3.07Å; V1196-R1198 VanDerWaalsContact C-N 3.31Å; V1196-R1198 PolarHBondContact O-N 3.47Å; V1196-M1199 PolarHBondContact O-N 2.94Å; V1196-L1200 WeakPolarHBondContact O-CG 3.26Å; V1196-L1200 PolarHBondContact O-N 3.28Å
1197L97.5Very high93.5Very high0 Ų043.4 Ų43.40%022%0.221CC..Hα-helixtrans-58.7-40.8172.3177.460.3000112.1F959 V962 L1177 V1193 E1195 L1200 R1201 M1207 V1208 Y1214F959-L1197 HydrophobicContact CD2-CD2 4.24Å; F959-L1197 HydrophobicContact CE2-CD2 4.44Å; V962-L1197 HydrophobicContact CB-CD2 4.41Å; V962-L1197 HydrophobicContact CG1-CD2 4.34Å; V962-L1197 HydrophobicContact CG1-CG 4.15Å; V962-L1197 HydrophobicContact CG2-CD2 4.41Å; L1177-L1197 HydrophobicContact CD1-CB 4.47Å; L1177-L1197 HydrophobicContact CD2-CB 4.1Å; L1177-L1197 HydrophobicContact CD2-CD1 4.25Å; V1193-L1197 VanDerWaalsContact O-CB 3.27Å; V1193-L1197 WeakPolarHBondContact O-CB 3.38Å; V1193-L1197 PolarHBondContact O-N 3.06Å; E1195-L1197 VanDerWaalsContact C-N 3.34Å; L1197-L1200 PolarHBondContact O-N 2.87Å; L1197-R1201 HydrophobicContact CD1-CG 4.23Å; L1197-R1201 WeakPolarHBondContact O-CG 3.23Å; L1197-R1201 PolarHBondContact O-N 2.86Å; L1197-M1207 WeakPolarHBondContact CD1-O 3.49Å; L1197-V1208 HydrophobicContact CD1-CB 3.89Å; L1197-V1208 HydrophobicContact CD1-CG2 3.81Å; L1197-Y1214 HydrophobicContact CB-CE2 4.41Å; L1197-Y1214 HydrophobicContact CD2-CD2 3.76Å; L1197-Y1214 HydrophobicContact CD2-CE2 3.41Å; L1197-Y1214 VanDerWaalsContact CD2-CE2 3.41Å; L1197-Y1214 HydrophobicContact CG-CE2 4.48Å
1198R96.3Very high94.1Very high108 Ų10839.4 Ų39.441%0.40820%0.202SC..Hα-helixtrans-61.4-49.7173.2-172.2-174.654.973.3-3.6110.8V962 P1194 E1195 V1196 L1200 R1201 D1202V962-R1198 HydrophobicContact CG1-CB 3.95Å; P1194-R1198 WeakPolarHBondContact O-CB 3.32Å; P1194-R1198 PolarHBondContact O-N 3.3Å; E1195-R1198 WeakPolarHBondContact O-CB 3.44Å; E1195-R1198 PolarHBondContact O-N 3.26Å; V1196-R1198 VanDerWaalsContact C-N 3.31Å; V1196-R1198 PolarHBondContact O-N 3.47Å; R1198-L1200 PolarHBondContact O-N 2.93Å; R1198-L1200 VanDerWaalsContact O-N 3.12Å; R1198-R1201 CarbonylContact O-C 3.58Å; R1198-R1201 PolarHBondContact O-N 2.75Å; R1198-D1202 IonicContact CZ-OD2 3.97Å; R1198-D1202 IonicContact NH1-OD2 2.62Å; R1198-D1202 PolarHBondContact NH1-OD2 2.82Å; R1198-D1202 WeakPolarHBondContact O-CB 3.39Å; R1198-D1202 PolarHBondContact O-N 2.65Å
1199M95.8Very high94.5Very high54 Ų5440 Ų4027%0.26620%0.203SC..Hα-helixtrans-58.2-27177.4-66.5173.873.100113.7V1016 E1195 V1196 Q1203V1016-M1199 HydrophobicContact CG1-CE 3.97Å; E1195-M1199 WeakPolarHBondContact O-CG 3.49Å; E1195-M1199 PolarHBondContact O-N 3.21Å; V1196-M1199 PolarHBondContact O-N 2.94Å; M1199-Q1203 PolarHBondContact O-NE2 3.38Å
1200L97.6Very high94.8Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-76.6-46.5170.5-63.7176000112V1014 V1016 I1176 L1177 L1180 V1196 L1197 R1198 D1202 Q1203 R1204 M1207V1014-L1200 HydrophobicContact CG1-CD2 3.42Å; V1014-L1200 VanDerWaalsContact CG1-CD2 3.42Å; V1016-L1200 HydrophobicContact CG2-CD2 4.29Å; I1176-L1200 HydrophobicContact CG2-CD1 4.11Å; I1176-L1200 HydrophobicContact CG2-CD2 3.53Å; L1177-L1200 HydrophobicContact CB-CD1 3.8Å; L1177-L1200 HydrophobicContact CD1-CD1 3.98Å; L1177-L1200 HydrophobicContact CG-CD1 4.42Å; L1180-L1200 HydrophobicContact CD1-CD2 3.85Å; L1180-L1200 HydrophobicContact CD1-CG 4.5Å; V1196-L1200 WeakPolarHBondContact O-CG 3.26Å; V1196-L1200 PolarHBondContact O-N 3.28Å; L1197-L1200 PolarHBondContact O-N 2.87Å; R1198-L1200 PolarHBondContact O-N 2.93Å; R1198-L1200 VanDerWaalsContact O-N 3.12Å; L1200-D1202 VanDerWaalsContact C-N 3.26Å; L1200-D1202 PolarHBondContact O-N 3.42Å; L1200-Q1203 PolarHBondContact O-N 2.81Å; L1200-Q1203 VanDerWaalsContact O-N 3.08Å; L1200-R1204 PolarHBondContact O-N 3.2Å; L1200-M1207 HydrophobicContact CB-CB 4.13Å; L1200-M1207 HydrophobicContact CB-CE 4.14Å; L1200-M1207 HydrophobicContact CB-CG 4.3Å; L1200-M1207 HydrophobicContact CD1-CE 4.29Å; L1200-M1207 HydrophobicContact CD2-CE 4.22Å; L1200-M1207 HydrophobicContact CG-CE 4.46Å
1201R96.9Very high95.3Very high2 Ų235.2 Ų35.21%0.00818%0.177CC..Hα-helixtrans-66.9-25.7178.7-71.8-173.4-179.6165.81.6113.7V962 P963 Y991 L1197 R1198 Q1203 R1204 M1207 V1208V962-R1201 PolarHBondContact O-NH1 2.93Å; P963-R1201 WeakPolarHBondContact O-CD 3.38Å; Y991-R1201 WeakPolarHBondContact CE2-O 3.23Å; Y991-R1201 PolarHBondContact OH-O 3.09Å; L1197-R1201 HydrophobicContact CD1-CG 4.23Å; L1197-R1201 WeakPolarHBondContact O-CG 3.23Å; L1197-R1201 PolarHBondContact O-N 2.86Å; R1198-R1201 CarbonylContact O-C 3.58Å; R1198-R1201 PolarHBondContact O-N 2.75Å; R1201-Q1203 VanDerWaalsContact C-N 3.25Å; R1201-Q1203 PolarHBondContact O-N 2.78Å; R1201-R1204 WeakPolarHBondContact CA-O 3.23Å; R1201-M1207 HydrophobicContact CG-CB 4.01Å; R1201-M1207 PolarHBondContact NE-O 3.29Å; R1201-M1207 PolarHBondContact NH2-O 2.86Å; R1201-V1208 PolarHBondContact NH2-O 2.85Å
1202D95.6Very high95.7Very high56 Ų5636.1 Ų36.130%0.29919%0.188SC..THydrogen-bonded Turntrans-68.1-24.1172.3-66.2-18.9000112.2V966 Y991 R1198 L1200V966-D1202 HydrophobicContact CG2-CB 4.24Å; Y991-D1202 WeakPolarHBondContact CE2-O 3.35Å; R1198-D1202 IonicContact CZ-OD2 3.97Å; R1198-D1202 IonicContact NH1-OD2 2.62Å; R1198-D1202 PolarHBondContact NH1-OD2 2.82Å; R1198-D1202 WeakPolarHBondContact O-CB 3.39Å; R1198-D1202 PolarHBondContact O-N 2.65Å; L1200-D1202 VanDerWaalsContact C-N 3.26Å; L1200-D1202 PolarHBondContact O-N 3.42Å
1203Q96.6Very high95.9Very high47 Ų4733.9 Ų33.922%0.2217%0.173CC..THydrogen-bonded Turntrans-107.4-28179.9-68.8175.685.300113.5Y991 S994 V1014 K1015 M1199 L1200 R1201Y991-Q1203 WeakPolarHBondContact CD2-O 3.48Å; S994-Q1203 VanDerWaalsContact CB-O 3.25Å; S994-Q1203 WeakPolarHBondContact CB-O 3.32Å; S994-Q1203 PolarHBondContact OG-O 2.88Å; V1014-Q1203 HydrophobicContact CG2-CB 4.27Å; K1015-Q1203 PolarHBondContact O-NE2 3.04Å; K1015-Q1203 PolarHBondContact O-OE1 3.05Å; M1199-Q1203 PolarHBondContact O-NE2 3.38Å; L1200-Q1203 PolarHBondContact O-N 2.81Å; L1200-Q1203 VanDerWaalsContact O-N 3.08Å; R1201-Q1203 VanDerWaalsContact C-N 3.25Å; R1201-Q1203 PolarHBondContact O-N 2.78Å
1204R97.3Very high96Very high0 Ų033.8 Ų33.80%017%0.172CC..SBendtrans-146.2121.5170.6-172.9173.6176.175.13109.6N1010 S1012 V1014 A1027 A1167 G1168 V1169 L1200 R1201 M1207N1010-R1204 PolarHBondContact OD1-NH1 2.93Å; N1010-R1204 PolarHBondContact OD1-NH2 3.31Å; S1012-R1204 PolarHBondContact OG-NH1 2.83Å; S1012-R1204 VanDerWaalsContact OG-NH1 3.09Å; V1014-R1204 HydrophobicContact CG2-CB 4.36Å; A1027-R1204 VanDerWaalsContact CB-CD 3.49Å; A1027-R1204 PolarHBondContact O-NE 2.82Å; A1167-R1204 PolarHBondContact O-NH2 2.95Å; A1167-R1204 VanDerWaalsContact O-NH2 3.09Å; G1168-R1204 PolarHBondContact O-NE 2.99Å; V1169-R1204 HydrophobicContact CG1-CG 3.94Å; V1169-R1204 VanDerWaalsContact CG1-NE 3.32Å; L1200-R1204 PolarHBondContact O-N 3.2Å; R1201-R1204 WeakPolarHBondContact CA-O 3.23Å; R1204-M1207 HydrophobicContact CB-CG 4.08Å; R1204-M1207 HydrophobicContact CB-SD 4.45Å; R1204-M1207 HydrophobicContact CG-CG 4.5Å; R1204-M1207 WeakPolarHBondContact O-CG 3.36Å
1205M95.5Very high95.9Very high18 Ų1834.4 Ų34.49%0.08918%0.175CC..THydrogen-bonded Turntrans-53.6155.3-179.864.618067.200113.2R965 C971 D987 L989 Y991 V1169 M1207R965-M1205 HydrophobicContact CB-CB 4.12Å; C971-M1205 VanDerWaalsContact SG-CE 3.5Å; D987-M1205 VanDerWaalsContact O-SD 3.42Å; L989-M1205 HydrophobicContact CB-CE 4.17Å; L989-M1205 HydrophobicContact CB-SD 4.47Å; L989-M1205 PolarHBondContact N-SD 3.5Å; L989-M1205 VanDerWaalsContact N-SD 3.45Å; L989-M1205 WeakPolarHBondContact O-CE 3.43Å; L989-M1205 WeakPolarHBondContact O-CG 3.48Å; Y991-M1205 HydrophobicContact CD1-CE 4.09Å; Y991-M1205 HydrophobicContact CE1-CB 4.21Å; Y991-M1205 HydrophobicContact CE1-CE 3.79Å; V1169-M1205 VanDerWaalsContact CG1-O 3.23Å; V1169-M1205 WeakPolarHBondContact CG1-O 3.48Å; M1205-M1207 PolarHBondContact O-N 2.98Å
1206L96.1Very high96Very high38 Ų3830.8 Ų30.820%0.19916%0.159CC..THydrogen-bonded Turntrans59.514.5169.3-60.3166.6000116.4K964 V988 V1169 V1208 Q1209K964-L1206 HydrophobicContact CB-CD2 3.94Å; K964-L1206 HydrophobicContact CD-CD2 4.23Å; K964-L1206 HydrophobicContact CG-CD2 4.32Å; K964-L1206 PolarHBondContact O-N 2.9Å; V988-L1206 HydrophobicContact CG2-CD1 4.01Å; V1169-L1206 HydrophobicContact CB-CB 4.45Å; V1169-L1206 HydrophobicContact CG2-CB 4.12Å; L1206-V1208 PolarHBondContact O-N 3.18Å; L1206-Q1209 WeakPolarHBondContact O-CG 3.49Å
1207M97.8Very high96Very high0 Ų030.8 Ų30.80%016%0.159CC..SBendtrans-53.8130171.2-70.9-77.1-84.100110V1169 I1176 L1197 L1200 R1201 R1204 M1205V1169-M1207 HydrophobicContact CB-SD 4.34Å; V1169-M1207 HydrophobicContact CG1-SD 4.41Å; V1169-M1207 WeakPolarHBondContact O-CA 3.23Å; I1176-M1207 HydrophobicContact CB-CE 4.4Å; I1176-M1207 HydrophobicContact CD1-CE 3.95Å; L1197-M1207 WeakPolarHBondContact CD1-O 3.49Å; L1200-M1207 HydrophobicContact CB-CB 4.13Å; L1200-M1207 HydrophobicContact CB-CE 4.14Å; L1200-M1207 HydrophobicContact CB-CG 4.3Å; L1200-M1207 HydrophobicContact CD1-CE 4.29Å; L1200-M1207 HydrophobicContact CD2-CE 4.22Å; L1200-M1207 HydrophobicContact CG-CE 4.46Å; R1201-M1207 HydrophobicContact CG-CB 4.01Å; R1201-M1207 PolarHBondContact NE-O 3.29Å; R1201-M1207 PolarHBondContact NH2-O 2.86Å; R1204-M1207 HydrophobicContact CB-CG 4.08Å; R1204-M1207 HydrophobicContact CB-SD 4.45Å; R1204-M1207 HydrophobicContact CG-CG 4.5Å; R1204-M1207 WeakPolarHBondContact O-CG 3.36Å; M1205-M1207 PolarHBondContact O-N 2.98Å
1208V97.3Very high95.9Very high0 Ų031.1 Ų31.10%016%0.16CC..SBendtrans54101.2-165-1710000111.6F959 V1169 V1174 L1177 L1197 R1201 L1206 Q1213 Y1214F959-V1208 HydrophobicContact CE2-CB 4.45Å; F959-V1208 HydrophobicContact CE2-CG1 3.97Å; F959-V1208 WeakPolarHBondContact CE2-O 3.39Å; F959-V1208 WeakPolarHBondContact CZ-O 3.35Å; V1169-V1208 PolarHBondContact O-N 3.21Å; V1174-V1208 HydrophobicContact CG2-CG1 4.42Å; V1174-V1208 HydrophobicContact CG2-CG2 4.32Å; L1177-V1208 HydrophobicContact CD2-CG2 4.03Å; L1197-V1208 HydrophobicContact CD1-CB 3.89Å; L1197-V1208 HydrophobicContact CD1-CG2 3.81Å; R1201-V1208 PolarHBondContact NH2-O 2.85Å; L1206-V1208 PolarHBondContact O-N 3.18Å; V1208-Q1213 HydrophobicContact CG1-CB 3.74Å; V1208-Y1214 HydrophobicContact CG1-CD2 4.28Å
1209Q93.8Very high95.8Very high80 Ų8030.8 Ų30.837%0.37416%0.161SC..  trans-87.6-30.2-167.8-76.7-178.5-44.100114.7V1169 L1206V1169-Q1209 HydrophobicContact CG2-CG 3.95Å; L1206-Q1209 WeakPolarHBondContact O-CG 3.49Å
1210T94.6Very high95.8Very high60 Ų6028.2 Ų28.237%0.36815%0.149SC..SBendtrans-125.2155.4-173.670.10000112.2S1212 Q1213 Y1214T1210-S1212 VanDerWaalsContact C-N 3.26Å; T1210-S1212 PolarHBondContact O-N 2.78Å; T1210-Q1213 WeakPolarHBondContact O-CB 3.34Å; T1210-Q1213 PolarHBondContact O-N 2.92Å; T1210-Q1213 VanDerWaalsContact O-N 3.16Å; T1210-Q1213 WeakPolarHBondContact OG1-CG 3.44Å; T1210-Q1213 PolarHBondContact OG1-N 3.09Å; T1210-Y1214 PolarHBondContact O-N 3.15Å; T1210-Y1214 VanDerWaalsContact O-N 3.15Å
1211L94Very high95.6Very high56 Ų5628.3 Ų28.329%0.29315%0.149SC..Hα-helixtrans-57.7-40.5172.9179.161.1000111.2L955 L956 F959 Q1213 Y1214 T1215L955-L1211 HydrophobicContact CB-CD1 4.26Å; L956-L1211 HydrophobicContact CB-CD2 3.92Å; L956-L1211 HydrophobicContact CD1-CD2 3.97Å; L956-L1211 HydrophobicContact CG-CD2 4.47Å; F959-L1211 HydrophobicContact CB-CD1 4.11Å; F959-L1211 HydrophobicContact CD1-CB 4.46Å; F959-L1211 HydrophobicContact CG-CD1 4.43Å; L1211-Q1213 VanDerWaalsContact C-N 3.28Å; L1211-Q1213 PolarHBondContact O-N 3.13Å; L1211-Y1214 HydrophobicContact CD1-CD1 4.46Å; L1211-Y1214 CarbonylContact O-C 3.51Å; L1211-Y1214 WeakPolarHBondContact O-CA 3.37Å; L1211-Y1214 WeakPolarHBondContact O-CB 3.42Å; L1211-Y1214 PolarHBondContact O-N 2.64Å; L1211-T1215 PolarHBondContact O-N 2.88Å; L1211-T1215 PolarHBondContact O-OG1 3.23Å
1212S94.1Very high95.5Very high70 Ų7028.7 Ų28.749%0.4915%0.151SC..Hα-helixtrans-57.1-40.8177.1-42.10000112.5T1210 Y1214 F1216T1210-S1212 VanDerWaalsContact C-N 3.26Å; T1210-S1212 PolarHBondContact O-N 2.78Å; S1212-Y1214 VanDerWaalsContact C-N 3.33Å; S1212-F1216 VanDerWaalsContact O-CB 3.22Å; S1212-F1216 WeakPolarHBondContact O-CB 3.49Å; S1212-F1216 PolarHBondContact O-N 3.25Å
1213Q95.4Very high95.4Very high18 Ų1828.3 Ų28.38%0.08415%0.148CC..Hα-helixtrans-65.8-35.9174.6-73.7169.310.200112W1123 C1128 V1174 V1208 T1210 L1211 V1217W1123-Q1213 HydrophobicContact CZ2-CG 4.29Å; C1128-Q1213 VanDerWaalsContact SG-CA 3.57Å; V1174-Q1213 HydrophobicContact CG2-CB 3.65Å; V1174-Q1213 HydrophobicContact CG2-CG 4.12Å; V1208-Q1213 HydrophobicContact CG1-CB 3.74Å; T1210-Q1213 WeakPolarHBondContact O-CB 3.34Å; T1210-Q1213 PolarHBondContact O-N 2.92Å; T1210-Q1213 VanDerWaalsContact O-N 3.16Å; T1210-Q1213 WeakPolarHBondContact OG1-CG 3.44Å; T1210-Q1213 PolarHBondContact OG1-N 3.09Å; L1211-Q1213 VanDerWaalsContact C-N 3.28Å; L1211-Q1213 PolarHBondContact O-N 3.13Å; Q1213-V1217 WeakPolarHBondContact O-CG2 3.45Å; Q1213-V1217 PolarHBondContact O-N 3.31Å
1214Y96.3Very high95.2Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-73.2-47.3178.4-167.3-115.5000112.5E958 F959 L1177 V1193 P1194 L1197 V1208 T1210 L1211 S1212 F1216 V1217 Y1218E958-Y1214 WeakPolarHBondContact OE1-CE1 3.48Å; E958-Y1214 VanDerWaalsContact OE1-CZ 3.26Å; E958-Y1214 PolarHBondContact OE1-OH 2.96Å; F959-Y1214 HydrophobicContact CB-CD1 3.74Å; F959-Y1214 HydrophobicContact CB-CE1 4.05Å; F959-Y1214 HydrophobicContact CB-CG 4.29Å; F959-Y1214 AromaticContact CD2-CD1 3.84Å; F959-Y1214 HydrophobicContact CD2-CD1 3.84Å; F959-Y1214 AromaticContact CD2-CD2 3.84Å; F959-Y1214 HydrophobicContact CD2-CD2 3.84Å; F959-Y1214 HydrophobicContact CD2-CE1 4.47Å; F959-Y1214 HydrophobicContact CD2-CE2 4.47Å; F959-Y1214 AromaticContact CD2-CG 3.48Å; F959-Y1214 HydrophobicContact CD2-CG 3.48Å; F959-Y1214 VanDerWaalsContact CD2-CG 3.48Å; F959-Y1214 HydrophobicContact CE2-CD2 4.39Å; F959-Y1214 HydrophobicContact CE2-CG 4.19Å; F959-Y1214 HydrophobicContact CG-CD1 4.17Å; F959-Y1214 HydrophobicContact CG-CG 4.23Å; L1177-Y1214 HydrophobicContact CD2-CE2 4.42Å; V1193-Y1214 HydrophobicContact CG1-CE2 3.7Å; P1194-Y1214 WeakPolarHBondContact CA-OH 3.45Å; P1194-Y1214 WeakPolarHBondContact CD-OH 3.25Å; L1197-Y1214 HydrophobicContact CB-CE2 4.41Å; L1197-Y1214 HydrophobicContact CD2-CD2 3.76Å; L1197-Y1214 HydrophobicContact CD2-CE2 3.41Å; L1197-Y1214 VanDerWaalsContact CD2-CE2 3.41Å; L1197-Y1214 HydrophobicContact CG-CE2 4.48Å; V1208-Y1214 HydrophobicContact CG1-CD2 4.28Å; T1210-Y1214 PolarHBondContact O-N 3.15Å; T1210-Y1214 VanDerWaalsContact O-N 3.15Å; L1211-Y1214 HydrophobicContact CD1-CD1 4.46Å; L1211-Y1214 CarbonylContact O-C 3.51Å; L1211-Y1214 WeakPolarHBondContact O-CA 3.37Å; L1211-Y1214 WeakPolarHBondContact O-CB 3.42Å; L1211-Y1214 PolarHBondContact O-N 2.64Å; S1212-Y1214 VanDerWaalsContact C-N 3.33Å; Y1214-F1216 PolarHBondContact O-N 3.17Å; Y1214-V1217 WeakPolarHBondContact O-CB 3.32Å; Y1214-V1217 PolarHBondContact O-N 3.5Å; Y1214-V1217 VanDerWaalsContact O-N 3.12Å; Y1214-Y1218 HydrophobicContact CD1-CE2 4.35Å; Y1214-Y1218 HydrophobicContact CE1-CD2 4.37Å; Y1214-Y1218 AromaticContact CE1-CE2 3.75Å; Y1214-Y1218 HydrophobicContact CE1-CE2 3.75Å; Y1214-Y1218 HydrophobicContact CE2-CE2 4.49Å; Y1214-Y1218 AromaticContact CZ-CE2 3.83Å; Y1214-Y1218 PolarHBondContact O-N 3.15Å
1215T94.8Very high94.9Very high34 Ų3428.1 Ų28.121%0.20915%0.145CC..Hα-helixtrans-61.4-33.3172.4-530000111.8L955 L1211 Y1218 K1219L955-T1215 HydrophobicContact CD1-CG2 4.06Å; L1211-T1215 PolarHBondContact O-N 2.88Å; L1211-T1215 PolarHBondContact O-OG1 3.23Å; T1215-Y1218 PolarHBondContact O-N 2.97Å; T1215-K1219 WeakPolarHBondContact O-CG 3.31Å; T1215-K1219 PolarHBondContact O-N 3.46Å
1216F95.8Very high94.6Very high6 Ų632.1 Ų32.13%0.02616%0.159CC..Hα-helixtrans-62.8-41173177-95.6000112.2C1128 P1129 F1132 F1135 V1174 S1212 Y1214 Y1218 K1219 V1220C1128-F1216 HydrophobicContact CB-CB 3.92Å; C1128-F1216 HydrophobicContact CB-CD2 3.77Å; C1128-F1216 HydrophobicContact CB-CE2 4.48Å; C1128-F1216 HydrophobicContact CB-CG 3.83Å; P1129-F1216 HydrophobicContact CB-CE2 4.04Å; P1129-F1216 HydrophobicContact CB-CZ 4.14Å; P1129-F1216 HydrophobicContact CG-CE2 4.24Å; P1129-F1216 HydrophobicContact CG-CZ 3.99Å; P1129-F1216 WeakPolarHBondContact O-CD2 3.27Å; P1129-F1216 WeakPolarHBondContact O-CE2 3.45Å; F1132-F1216 HydrophobicContact CD1-CD2 4.11Å; F1132-F1216 AromaticContact CD1-CE2 3.7Å; F1132-F1216 HydrophobicContact CD1-CE2 3.7Å; F1132-F1216 HydrophobicContact CD1-CZ 4.48Å; F1132-F1216 AromaticContact CE1-CD2 3.6Å; F1132-F1216 HydrophobicContact CE1-CD2 3.6Å; F1132-F1216 AromaticContact CE1-CE2 3.62Å; F1132-F1216 HydrophobicContact CE1-CE2 3.62Å; F1135-F1216 HydrophobicContact CB-CZ 4Å; F1135-F1216 AromaticContact CD1-CE1 3.77Å; F1135-F1216 HydrophobicContact CD1-CE1 3.77Å; F1135-F1216 AromaticContact CD1-CZ 3.86Å; F1135-F1216 HydrophobicContact CD1-CZ 3.86Å; F1135-F1216 HydrophobicContact CD2-CE1 4.15Å; F1135-F1216 HydrophobicContact CD2-CZ 4.12Å; F1135-F1216 AromaticContact CE1-CE1 3.81Å; F1135-F1216 HydrophobicContact CE1-CE1 3.81Å; F1135-F1216 HydrophobicContact CE1-CZ 4.38Å; F1135-F1216 HydrophobicContact CE2-CE1 4.21Å; F1135-F1216 AromaticContact CG-CE1 3.94Å; F1135-F1216 HydrophobicContact CG-CE1 3.94Å; F1135-F1216 AromaticContact CG-CZ 3.71Å; F1135-F1216 HydrophobicContact CG-CZ 3.71Å; F1135-F1216 HydrophobicContact CZ-CE1 4.05Å; V1174-F1216 HydrophobicContact CG1-CD1 3.67Å; V1174-F1216 HydrophobicContact CG1-CE1 3.88Å; S1212-F1216 VanDerWaalsContact O-CB 3.22Å; S1212-F1216 WeakPolarHBondContact O-CB 3.49Å; S1212-F1216 PolarHBondContact O-N 3.25Å; Y1214-F1216 PolarHBondContact O-N 3.17Å; F1216-Y1218 VanDerWaalsContact C-N 3.35Å; F1216-Y1218 PolarHBondContact O-N 3.01Å; F1216-K1219 PolarHBondContact O-N 3.31Å; F1216-V1220 HydrophobicContact CD1-CG2 4.01Å; F1216-V1220 HydrophobicContact CD2-CG2 4.46Å; F1216-V1220 HydrophobicContact CE1-CG2 3.57Å; F1216-V1220 HydrophobicContact CE2-CG2 4.03Å; F1216-V1220 HydrophobicContact CG-CG2 4.44Å; F1216-V1220 HydrophobicContact CZ-CG2 3.58Å; F1216-V1220 WeakPolarHBondContact O-CG2 3.33Å; F1216-V1220 PolarHBondContact O-N 3Å
1217V96.8Very high94.2Very high0 Ų033.6 Ų33.60%017%0.168CC..Hα-helixtrans-57.3-47.1172.61730000110.9V1174 L1177 V1193 Q1213 Y1214 K1219 V1220 L1221V1174-V1217 HydrophobicContact CB-CG2 4.29Å; V1174-V1217 HydrophobicContact CG1-CG2 3.85Å; V1174-V1217 HydrophobicContact CG2-CG2 4.23Å; L1177-V1217 HydrophobicContact CD2-CG1 4.17Å; L1177-V1217 HydrophobicContact CD2-CG2 4.26Å; L1177-V1217 HydrophobicContact CG-CG1 4.1Å; V1193-V1217 HydrophobicContact CG1-CG1 4.17Å; Q1213-V1217 WeakPolarHBondContact O-CG2 3.45Å; Q1213-V1217 PolarHBondContact O-N 3.31Å; Y1214-V1217 WeakPolarHBondContact O-CB 3.32Å; Y1214-V1217 PolarHBondContact O-N 3.5Å; Y1214-V1217 VanDerWaalsContact O-N 3.12Å; V1217-K1219 PolarHBondContact O-N 3.2Å; V1217-V1220 PolarHBondContact O-N 2.96Å; V1217-L1221 HydrophobicContact CG1-CD1 3.92Å; V1217-L1221 HydrophobicContact CG1-CG 4.43Å; V1217-L1221 WeakPolarHBondContact O-CG 3.41Å; V1217-L1221 PolarHBondContact O-N 3.04Å
1218Y95.4Very high93.3Very high7 Ų735.7 Ų35.73%0.02718%0.182CC..Hα-helixtrans-57.8-45.9175.7-88.4-92.3000112.6L946 H949 V950 L955 E958 V1193 Y1214 T1215 F1216 V1220 L1221 I1222L946-Y1218 HydrophobicContact CD2-CD1 3.93Å; L946-Y1218 HydrophobicContact CD2-CE1 3.73Å; H949-Y1218 AromaticContact CD2-CE1 3.63Å; H949-Y1218 AromaticContact CD2-CZ 3.82Å; V950-Y1218 HydrophobicContact CG2-CD1 4.16Å; V950-Y1218 HydrophobicContact CG2-CG 4.3Å; L955-Y1218 HydrophobicContact CD1-CD2 4.48Å; L955-Y1218 HydrophobicContact CD2-CD1 4.31Å; L955-Y1218 HydrophobicContact CD2-CD2 3.91Å; L955-Y1218 HydrophobicContact CD2-CE1 4.09Å; L955-Y1218 HydrophobicContact CD2-CE2 3.67Å; L955-Y1218 HydrophobicContact CD2-CG 4.23Å; E958-Y1218 PolarHBondContact OE1-OH 3.14Å; E958-Y1218 PolarHBondContact OE2-OH 3.04Å; V1193-Y1218 HydrophobicContact CB-CE2 3.77Å; V1193-Y1218 HydrophobicContact CG1-CD2 4.4Å; V1193-Y1218 HydrophobicContact CG1-CE2 3.8Å; V1193-Y1218 HydrophobicContact CG2-CE1 4.06Å; V1193-Y1218 HydrophobicContact CG2-CE2 3.85Å; Y1214-Y1218 HydrophobicContact CD1-CE2 4.35Å; Y1214-Y1218 HydrophobicContact CE1-CD2 4.37Å; Y1214-Y1218 AromaticContact CE1-CE2 3.75Å; Y1214-Y1218 HydrophobicContact CE1-CE2 3.75Å; Y1214-Y1218 HydrophobicContact CE2-CE2 4.49Å; Y1214-Y1218 AromaticContact CZ-CE2 3.83Å; Y1214-Y1218 PolarHBondContact O-N 3.15Å; T1215-Y1218 PolarHBondContact O-N 2.97Å; F1216-Y1218 VanDerWaalsContact C-N 3.35Å; F1216-Y1218 PolarHBondContact O-N 3.01Å; Y1218-V1220 PolarHBondContact O-N 2.93Å; Y1218-L1221 PolarHBondContact O-N 3.11Å; Y1218-I1222 WeakPolarHBondContact O-CG1 3.36Å; Y1218-I1222 PolarHBondContact O-N 2.88Å
1219K94.4Very high91.5Very high101 Ų10140.7 Ų40.744%0.43920%0.201SC..Hα-helixtrans-61.7-41.8176.5-70.2-174.9179.1-171.90112.4F1132 T1215 F1216 V1217 L1221 I1222 E1223F1132-K1219 HydrophobicContact CD1-CB 4.04Å; F1132-K1219 HydrophobicContact CE1-CB 3.49Å; F1132-K1219 VanDerWaalsContact CE1-CB 3.49Å; F1132-K1219 HydrophobicContact CE1-CD 3.83Å; F1132-K1219 HydrophobicContact CE1-CG 4.31Å; F1132-K1219 HydrophobicContact CZ-CB 4.02Å; F1132-K1219 HydrophobicContact CZ-CD 3.59Å; F1132-K1219 HydrophobicContact CZ-CG 4.44Å; T1215-K1219 WeakPolarHBondContact O-CG 3.31Å; T1215-K1219 PolarHBondContact O-N 3.46Å; F1216-K1219 PolarHBondContact O-N 3.31Å; V1217-K1219 PolarHBondContact O-N 3.2Å; K1219-L1221 VanDerWaalsContact C-N 3.34Å; K1219-L1221 PolarHBondContact O-N 2.8Å; K1219-I1222 PolarHBondContact O-N 2.85Å; K1219-E1223 WeakPolarHBondContact O-CB 3.41Å; K1219-E1223 PolarHBondContact O-N 2.79Å
1220V95.4Very high89.3Confident0 Ų043.6 Ų43.60%022%0.218CC..Hα-helixtrans-61.9-38.9175.7169.40000111.8F1132 F1135 L1136 F1216 V1217 Y1218 E1223 Y1224F1132-V1220 HydrophobicContact CD1-CG2 4.01Å; F1135-V1220 HydrophobicContact CD1-CG1 3.97Å; F1135-V1220 HydrophobicContact CD1-CG2 3.69Å; F1135-V1220 HydrophobicContact CE1-CG1 4.17Å; F1135-V1220 HydrophobicContact CE1-CG2 4.16Å; L1136-V1220 HydrophobicContact CD2-CG1 3.67Å; L1136-V1220 HydrophobicContact CG-CG1 4.22Å; F1216-V1220 HydrophobicContact CD1-CG2 4.01Å; F1216-V1220 HydrophobicContact CD2-CG2 4.46Å; F1216-V1220 HydrophobicContact CE1-CG2 3.57Å; F1216-V1220 HydrophobicContact CE2-CG2 4.03Å; F1216-V1220 HydrophobicContact CG-CG2 4.44Å; F1216-V1220 HydrophobicContact CZ-CG2 3.58Å; F1216-V1220 WeakPolarHBondContact O-CG2 3.33Å; F1216-V1220 PolarHBondContact O-N 3Å; V1217-V1220 PolarHBondContact O-N 2.96Å; Y1218-V1220 PolarHBondContact O-N 2.93Å; V1220-E1223 PolarHBondContact O-N 2.94Å; V1220-Y1224 WeakPolarHBondContact O-CB 3.12Å; V1220-Y1224 PolarHBondContact O-N 2.91Å
1221L94.7Very high86.4Confident1 Ų151 Ų511%0.00525%0.254CS..Hα-helixtrans-71.6-40.3178-66.2168.8000112.7L946 M1181 I1182 L1185 V1193 V1217 Y1218 K1219 E1223 Y1224 L1225L946-L1221 HydrophobicContact CD1-CB 4.08Å; M1181-L1221 HydrophobicContact CB-CD1 3.64Å; M1181-L1221 HydrophobicContact CB-CD2 3.53Å; M1181-L1221 HydrophobicContact CB-CG 4.2Å; M1181-L1221 HydrophobicContact CG-CD1 4.08Å; I1182-L1221 HydrophobicContact CG1-CD2 3.87Å; L1185-L1221 HydrophobicContact CD1-CB 4.34Å; L1185-L1221 HydrophobicContact CD1-CD2 3.8Å; V1193-L1221 HydrophobicContact CG2-CD1 3.96Å; V1217-L1221 HydrophobicContact CG1-CD1 3.92Å; V1217-L1221 HydrophobicContact CG1-CG 4.43Å; V1217-L1221 WeakPolarHBondContact O-CG 3.41Å; V1217-L1221 PolarHBondContact O-N 3.04Å; Y1218-L1221 PolarHBondContact O-N 3.11Å; K1219-L1221 VanDerWaalsContact C-N 3.34Å; K1219-L1221 PolarHBondContact O-N 2.8Å; L1221-E1223 VanDerWaalsContact C-N 3.32Å; L1221-Y1224 PolarHBondContact O-N 2.99Å; L1221-L1225 WeakPolarHBondContact O-CG 3.36Å; L1221-L1225 PolarHBondContact O-N 3.19Å
1222I93.4Very high86.1Confident11 Ų1150.8 Ų50.86%0.05625%0.252CS..Hα-helixtrans-59-46.7171.7-71.1163.5000109.9L946 E947 V950 Y1218 K1219 L1225 R1226L946-I1222 HydrophobicContact CB-CD1 4.05Å; L946-I1222 HydrophobicContact CB-CG1 3.58Å; L946-I1222 HydrophobicContact CD1-CG1 4.37Å; E947-I1222 HydrophobicContact CG-CD1 3.94Å; E947-I1222 HydrophobicContact CG-CG1 4.11Å; E947-I1222 HydrophobicContact CG-CG2 3.73Å; V950-I1222 HydrophobicContact CG2-CD1 3.88Å; Y1218-I1222 WeakPolarHBondContact O-CG1 3.36Å; Y1218-I1222 PolarHBondContact O-N 2.88Å; K1219-I1222 PolarHBondContact O-N 2.85Å; I1222-L1225 PolarHBondContact O-N 3.3Å; I1222-R1226 VanDerWaalsContact O-CG 3.29Å; I1222-R1226 WeakPolarHBondContact O-CG 3.4Å; I1222-R1226 PolarHBondContact O-N 2.87Å
1223E93.1Very high85.6Confident47 Ų4749.8 Ų49.822%0.2224%0.239CC..Hα-helixtrans-70.1-35.7-179.1-162.451.7-140.800112.8F1132 L1136 K1219 V1220 L1221 R1226 N1227F1132-E1223 HydrophobicContact CB-CB 4.34Å; F1132-E1223 HydrophobicContact CB-CG 4.07Å; L1136-E1223 HydrophobicContact CD1-CB 4.28Å; L1136-E1223 HydrophobicContact CD1-CG 4.26Å; K1219-E1223 WeakPolarHBondContact O-CB 3.41Å; K1219-E1223 PolarHBondContact O-N 2.79Å; V1220-E1223 PolarHBondContact O-N 2.94Å; L1221-E1223 VanDerWaalsContact C-N 3.32Å; E1223-R1226 PolarHBondContact O-N 3.46Å; E1223-R1226 WeakPolarHBondContact OE2-CD 3.49Å; E1223-R1226 IonicContact OE2-CZ 3.93Å; E1223-R1226 IonicContact OE2-NE 2.65Å; E1223-R1226 IonicContact OE2-NH1 2.68Å; E1223-R1226 PolarHBondContact OE2-NH1 2.84Å; E1223-N1227 PolarHBondContact O-N 2.92Å; E1223-N1227 PolarHBondContact O-ND2 3.11Å; E1223-N1227 PolarHBondContact OE1-ND2 2.7Å
1224Y93.4Very high85.1Confident43 Ų4351.6 Ų51.617%0.16925%0.248CC..Hα-helixtrans-59-46.4169.3174.8-89.1000111.9L1136 I1182 L1185 E1186 V1220 L1221 R1226 N1227 S1228L1136-Y1224 HydrophobicContact CD2-CD2 4.23Å; I1182-Y1224 HydrophobicContact CD1-CD2 3.94Å; I1182-Y1224 HydrophobicContact CD1-CE2 4.48Å; I1182-Y1224 HydrophobicContact CD1-CG 4.29Å; I1182-Y1224 HydrophobicContact CG1-CD1 4.37Å; I1182-Y1224 HydrophobicContact CG1-CD2 4Å; I1182-Y1224 HydrophobicContact CG1-CE2 4.37Å; I1182-Y1224 HydrophobicContact CG1-CG 4.01Å; I1182-Y1224 HydrophobicContact CG2-CD2 4.07Å; I1182-Y1224 HydrophobicContact CG2-CE1 4.24Å; I1182-Y1224 HydrophobicContact CG2-CE2 3.57Å; L1185-Y1224 HydrophobicContact CD1-CD1 4.26Å; E1186-Y1224 WeakPolarHBondContact CG-OH 3.41Å; E1186-Y1224 PolarHBondContact OE1-OH 3.06Å; V1220-Y1224 WeakPolarHBondContact O-CB 3.12Å; V1220-Y1224 PolarHBondContact O-N 2.91Å; L1221-Y1224 PolarHBondContact O-N 2.99Å; Y1224-R1226 PolarHBondContact O-N 3.4Å; Y1224-N1227 PolarHBondContact O-N 2.7Å; Y1224-S1228 WeakPolarHBondContact O-CB 3.44Å; Y1224-S1228 PolarHBondContact O-N 2.6Å; Y1224-S1228 PolarHBondContact O-OG 3.01Å
1225L91.1Very high84.4Confident1 Ų154.6 Ų54.61%0.00526%0.262CS..Hα-helixtrans-65.7-37.5177.8-72172.9000112.3N939 K942 C943 L946 L1185 L1221 I1222 S1228N939-L1225 HydrophobicContact CB-CD2 4.12Å; K942-L1225 HydrophobicContact CB-CD1 3.88Å; C943-L1225 HydrophobicContact CB-CB 4.06Å; C943-L1225 HydrophobicContact CB-CD1 4.16Å; L946-L1225 HydrophobicContact CD1-CD1 3.89Å; L1185-L1225 HydrophobicContact CD1-CD1 4.19Å; L1185-L1225 HydrophobicContact CD1-CD2 4.12Å; L1185-L1225 HydrophobicContact CD1-CG 4.01Å; L1185-L1225 HydrophobicContact CD2-CD1 4.28Å; L1185-L1225 HydrophobicContact CD2-CD2 4.31Å; L1221-L1225 WeakPolarHBondContact O-CG 3.36Å; L1221-L1225 PolarHBondContact O-N 3.19Å; I1222-L1225 PolarHBondContact O-N 3.3Å; L1225-S1228 WeakPolarHBondContact O-CB 3.14Å; L1225-S1228 PolarHBondContact O-N 3.06Å
1226R89.4Confident83.8Confident101 Ų10155.9 Ų55.938%0.38127%0.266SS..Hα-helixtrans-61.7-47.7174-73.8162.6173.6-172.50112E947 I1222 E1223 Y1224 S1228 R1229E947-R1226 IonicContact OE1-CZ 3.16Å; E947-R1226 VanDerWaalsContact OE1-CZ 3.31Å; E947-R1226 IonicContact OE1-NE 2.65Å; E947-R1226 PolarHBondContact OE1-NE 3.24Å; E947-R1226 IonicContact OE1-NH2 2.68Å; E947-R1226 PolarHBondContact OE1-NH2 2.74Å; I1222-R1226 VanDerWaalsContact O-CG 3.29Å; I1222-R1226 WeakPolarHBondContact O-CG 3.4Å; I1222-R1226 PolarHBondContact O-N 2.87Å; E1223-R1226 PolarHBondContact O-N 3.46Å; E1223-R1226 WeakPolarHBondContact OE2-CD 3.49Å; E1223-R1226 IonicContact OE2-CZ 3.93Å; E1223-R1226 IonicContact OE2-NE 2.65Å; E1223-R1226 IonicContact OE2-NH1 2.68Å; E1223-R1226 PolarHBondContact OE2-NH1 2.84Å; Y1224-R1226 PolarHBondContact O-N 3.4Å; R1226-S1228 VanDerWaalsContact C-N 3.27Å; R1226-S1228 PolarHBondContact O-N 3.2Å; R1226-R1229 VanDerWaalsContact O-CB 3.23Å; R1226-R1229 WeakPolarHBondContact O-CB 2.83Å; R1226-R1229 WeakPolarHBondContact O-CG 3.31Å; R1226-R1229 PolarHBondContact O-N 3.01Å; R1226-R1229 VanDerWaalsContact O-N 3.13Å
1227N86.6Confident83Confident70 Ų7059.2 Ų59.237%0.37428%0.282SS..Hα-helixtrans-66.9-30.2177.6-74.4-74.5000112E1223 Y1224 R1229 L1230E1223-N1227 PolarHBondContact O-N 2.92Å; E1223-N1227 PolarHBondContact O-ND2 3.11Å; E1223-N1227 PolarHBondContact OE1-ND2 2.7Å; Y1224-N1227 PolarHBondContact O-N 2.7Å; N1227-R1229 PolarHBondContact O-N 3.26Å; N1227-R1229 VanDerWaalsContact O-N 3.11Å; N1227-L1230 PolarHBondContact O-N 3.39Å
1228S79.1Confident82Confident43 Ų4363.4 Ų63.430%0.30130%0.302SS..THydrogen-bonded Turntrans-67.4-2.3172.3-58.50000114.8Y1224 L1225 R1226Y1224-S1228 WeakPolarHBondContact O-CB 3.44Å; Y1224-S1228 PolarHBondContact O-N 2.6Å; Y1224-S1228 PolarHBondContact O-OG 3.01Å; L1225-S1228 WeakPolarHBondContact O-CB 3.14Å; L1225-S1228 PolarHBondContact O-N 3.06Å; R1226-S1228 VanDerWaalsContact C-N 3.27Å; R1226-S1228 PolarHBondContact O-N 3.2Å
1229R60.2Low81Confident105 Ų10567.8 Ų67.840%0.39632%0.323SS..THydrogen-bonded Turntrans-82-8.5174.2-63.7171.5162142.73.2114.2D940 C943 R1226 N1227 I1231D940-R1229 IonicContact OD1-CZ 3.01Å; D940-R1229 VanDerWaalsContact OD1-CZ 3.23Å; D940-R1229 IonicContact OD1-NE 3.22Å; D940-R1229 PolarHBondContact OD1-NE 2.63Å; D940-R1229 IonicContact OD1-NH2 2.64Å; D940-R1229 PolarHBondContact OD1-NH2 3.46Å; C943-R1229 PolarHBondContact SG-NH2 2.78Å; R1226-R1229 VanDerWaalsContact O-CB 3.23Å; R1226-R1229 WeakPolarHBondContact O-CB 2.83Å; R1226-R1229 WeakPolarHBondContact O-CG 3.31Å; R1226-R1229 PolarHBondContact O-N 3.01Å; R1226-R1229 VanDerWaalsContact O-N 3.13Å; N1227-R1229 PolarHBondContact O-N 3.26Å; N1227-R1229 VanDerWaalsContact O-N 3.11Å; R1229-I1231 PolarHBondContact O-N 2.88Å
1230L46.8Very low79.9Confident142 Ų14265 Ų6574%0.74331%0.313SS*.  trans-92.528.5-164.8-73.2166.4000115.3N1227N1227-L1230 PolarHBondContact O-N 3.39Å
1231I35Very low78.4Confident216 Ų21670.9 Ų70.9100%1.10834%0.342SS*.  trans-130.10-176.8-53.6-176.8000111.6R1229R1229-I1231 PolarHBondContact O-N 2.88Å

Retrieved 1,231 of 1,231 residues in 303.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).