A0A087YL58_POEFO Loading...

Neurotrimin

AlphaFold DB , UniProt , Accession A0A087YL58, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.5Very low34Very low240 Ų240154.9 Ų154.9100%1.18283%0.831SS**  0123.40-70-178.7175.700108.2
2P36.4Very low33.8Very low128 Ų128157.8 Ų157.883%0.83183%0.83SS**  trans-88.6137.2-172.833.8-29.7000111.2
3V36.1Very low33.9Very low144 Ų144153.8 Ų153.887%0.87382%0.821SS**  trans-87.8114.8170.2179.90000107.9R5V3-R5 PolarHBondContact O-N 3.43Å
4R33.6Very low34.4Very low235 Ų235148.9 Ų148.989%0.88781%0.805SS**  trans-63124.2176.1-78.2180176.6-172.4-1.1110S6R4-S6 PolarHBondContact O-N 3.4Å
5R34.2Very low34.7Very low249 Ų249147.6 Ų147.694%0.9480%0.797SS**  trans-74.7110.3158.2-80.7-177.9175.1-178.3-1.1108.1V3 S7V3-R5 PolarHBondContact O-N 3.43Å; R5-S7 PolarHBondContact O-N 3.29Å
6S32.4Very low35.3Very low112 Ų112146.2 Ų146.278%0.78379%0.788SS**  trans-76104.2164.540.20000108.8R4 V8R4-S6 PolarHBondContact O-N 3.4Å; S6-V8 PolarHBondContact O-N 3.35Å
7S33.6Very low35.8Very low112 Ų112141.3 Ų141.378%0.78376%0.764SS**  trans-68.8110.2165.654.10000108.7R5 A9R5-S7 PolarHBondContact O-N 3.29Å; S7-A9 PolarHBondContact O-N 3.17Å; S7-A9 VanDerWaalsContact O-N 3.17Å
8V36.1Very low36.6Very low120 Ų120136.1 Ų136.173%0.72774%0.74SS**  trans-70.8106.5165.3178.90000106.7S6 F10S6-V8 PolarHBondContact O-N 3.35Å; V8-F10 PolarHBondContact O-N 3.29Å
9A30.6Very low37.4Very low87 Ų87134.4 Ų134.472%0.71973%0.73SS**  trans-73.3108.817100000108.3S7S7-A9 PolarHBondContact O-N 3.17Å; S7-A9 VanDerWaalsContact O-N 3.17Å
10F31.3Very low38.3Very low182 Ų182135.5 Ų135.580%0.79872%0.723SS**  trans-65.8128.2160.7-77.5-87.5000108.2V8 K12V8-F10 PolarHBondContact O-N 3.29Å; F10-K12 PolarHBondContact O-N 3.1Å; F10-K12 VanDerWaalsContact O-N 3.1Å
11P33.8Very low39.1Very low95 Ų95129.4 Ų129.462%0.61769%0.69SS**  trans-65.9116177.425.9-30.9000108.8C13 S14P11-C13 PolarHBondContact O-N 3.29Å; P11-S14 PolarHBondContact O-N 3.08Å
12K32.5Very low40Very low189 Ų189122.6 Ų122.682%0.82266%0.658SS**THydrogen-bonded Turntrans-60.41177.6-76.5179.1173.1177.50114.5F10F10-K12 PolarHBondContact O-N 3.1Å; F10-K12 VanDerWaalsContact O-N 3.1Å
13C34.5Very low41.1Very low106 Ų106120.8 Ų120.872%0.71664%0.641SS**THydrogen-bonded Turntrans-85-15.8174.7-77.80000114.8P11P11-C13 PolarHBondContact O-N 3.29Å
14S40.9Very low42.1Very low85 Ų85114.3 Ų114.359%0.59460%0.601SS**Hα-helixtrans-76.7-28-179.1169.20000113.6P11 S18P11-S14 PolarHBondContact O-N 3.08Å; S14-S18 VanDerWaalsContact O-CB 3.25Å; S14-S18 WeakPolarHBondContact O-CB 3.25Å; S14-S18 PolarHBondContact O-N 2.89Å; S14-S18 VanDerWaalsContact O-N 3.17Å
15L39.6Very low43.2Very low130 Ų130104.6 Ų104.668%0.68157%0.568SS**Hα-helixtrans-74.4-31.1-175.3-88.7142.6000114.5L19L15-L19 PolarHBondContact O-N 2.88Å
16L43.2Very low44.2Very low125 Ų12597.6 Ų97.665%0.65455%0.549SS*.Hα-helixtrans-80.8-37.7-178.2-83.3158.6000112.8S18 L19 R20L16-S18 VanDerWaalsContact C-N 3.3Å; L16-L19 PolarHBondContact O-N 3.49Å; L16-R20 PolarHBondContact O-N 3.26Å
17V43.5Very low45.2Very low63 Ų6398.1 Ų98.138%0.38254%0.539SS..Hα-helixtrans-62.1-43.9170177.30000108.9L19 R20 I21V17-L19 PolarHBondContact O-N 3.07Å; V17-R20 PolarHBondContact O-N 3.17Å; V17-I21 HydrophobicContact CG1-CD1 3.56Å; V17-I21 HydrophobicContact CG1-CG1 4.44Å; V17-I21 WeakPolarHBondContact O-CB 3.21Å; V17-I21 WeakPolarHBondContact O-CD1 3.21Å; V17-I21 WeakPolarHBondContact O-CG1 3.42Å; V17-I21 PolarHBondContact O-N 3.44Å; V17-I21 VanDerWaalsContact O-N 3.07Å
18S50.7Low46Very low47 Ų4794.4 Ų94.433%0.32952%0.515SS..Hα-helixtrans-58.9-43.1173.8179.40000113.2S14 L16 R20 L22S14-S18 VanDerWaalsContact O-CB 3.25Å; S14-S18 WeakPolarHBondContact O-CB 3.25Å; S14-S18 PolarHBondContact O-N 2.89Å; S14-S18 VanDerWaalsContact O-N 3.17Å; L16-S18 VanDerWaalsContact C-N 3.3Å; S18-R20 PolarHBondContact O-N 3.35Å; S18-L22 WeakPolarHBondContact O-CB 3.42Å; S18-L22 PolarHBondContact O-N 3.02Å
19L52.2Low46.2Very low105 Ų10591.2 Ų91.255%0.5551%0.506SS..Hα-helixtrans-69-34.5-177.5-14783.3000113.7L15 L16 V17 L23L15-L19 PolarHBondContact O-N 2.88Å; L16-L19 PolarHBondContact O-N 3.49Å; V17-L19 PolarHBondContact O-N 3.07Å; L19-L23 PolarHBondContact O-N 3.11Å; L19-L23 VanDerWaalsContact O-N 3.11Å
20R55.4Low46.5Very low155 Ų15590.4 Ų90.459%0.58550%0.496SS*.Hα-helixtrans-80.1-34.4178.2-71.1-163.3177.4-145.61.5112.9L16 V17 S18 L22 L23 L24L16-R20 PolarHBondContact O-N 3.26Å; V17-R20 PolarHBondContact O-N 3.17Å; S18-R20 PolarHBondContact O-N 3.35Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L23 PolarHBondContact O-N 3.41Å; R20-L24 PolarHBondContact O-N 3.45Å
21I55.3Low46.6Very low9 Ų987.9 Ų87.95%0.04650%0.497CS..Hα-helixtrans-64-40.6168.2-66.9168.3000110V17 L23 L24 V25 I77 A80 W85V17-I21 HydrophobicContact CG1-CD1 3.56Å; V17-I21 HydrophobicContact CG1-CG1 4.44Å; V17-I21 WeakPolarHBondContact O-CB 3.21Å; V17-I21 WeakPolarHBondContact O-CD1 3.21Å; V17-I21 WeakPolarHBondContact O-CG1 3.42Å; V17-I21 PolarHBondContact O-N 3.44Å; V17-I21 VanDerWaalsContact O-N 3.07Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 3.06Å; I21-L24 WeakPolarHBondContact O-CB 3.22Å; I21-L24 PolarHBondContact O-N 3.28Å; I21-L24 VanDerWaalsContact O-N 3.16Å; I21-V25 HydrophobicContact CG2-CG2 4.31Å; I21-V25 WeakPolarHBondContact O-CG2 3.34Å; I21-V25 PolarHBondContact O-N 3.38Å; I21-I77 HydrophobicContact CG2-CD1 3.48Å; I21-I77 VanDerWaalsContact CG2-CD1 3.48Å; I21-A80 HydrophobicContact CD1-CB 3.68Å; I21-A80 HydrophobicContact CG1-CB 4.22Å; I21-A80 HydrophobicContact CG2-CB 4.32Å; I21-W85 HydrophobicContact CD1-CZ2 4.29Å
22L54.4Low46.8Very low96 Ų9688.9 Ų88.950%0.50350%0.501SS..Hα-helixtrans-61-40.1175.5-159.777.8000111.8S18 R20 V25 L26S18-L22 WeakPolarHBondContact O-CB 3.42Å; S18-L22 PolarHBondContact O-N 3.02Å; R20-L22 VanDerWaalsContact C-N 3.32Å; L22-V25 PolarHBondContact O-N 2.95Å; L22-L26 HydrophobicContact CG-CD1 4.38Å; L22-L26 WeakPolarHBondContact O-CB 3.43Å; L22-L26 WeakPolarHBondContact O-CD1 3.16Å; L22-L26 WeakPolarHBondContact O-CG 3.47Å; L22-L26 PolarHBondContact O-N 3.37Å
23L58.4Low46.6Very low90 Ų9091.1 Ų91.147%0.47151%0.506SS..Hα-helixtrans-63.7-42.4173.1-79.7160.4000112.1L19 R20 I21 V25 L26 H27L19-L23 PolarHBondContact O-N 3.11Å; L19-L23 VanDerWaalsContact O-N 3.11Å; R20-L23 PolarHBondContact O-N 3.41Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 3.06Å; L23-V25 VanDerWaalsContact C-N 3.33Å; L23-V25 PolarHBondContact O-N 3.38Å; L23-L26 PolarHBondContact O-N 3.45Å; L23-H27 PolarHBondContact O-N 3.02Å; L23-H27 PolarHBondContact O-ND1 3.46Å
24L58.8Low46.5Very low8 Ų890.5 Ų90.54%0.04250%0.503CS..Hα-helixtrans-58.6-42.7174.1-93.3157.5000112.4R20 I21 A28 H68 A119 Q121R20-L24 PolarHBondContact O-N 3.45Å; I21-L24 WeakPolarHBondContact O-CB 3.22Å; I21-L24 PolarHBondContact O-N 3.28Å; I21-L24 VanDerWaalsContact O-N 3.16Å; L24-A28 PolarHBondContact O-N 3.15Å; L24-H68 HydrophobicContact CD1-CB 3.6Å; L24-A119 HydrophobicContact CD2-CB 4.16Å; L24-Q121 HydrophobicContact CD1-CB 4.01Å; L24-Q121 HydrophobicContact CD2-CB 3.94Å; L24-Q121 HydrophobicContact CG-CB 4.18Å
25V55.8Low46.1Very low32 Ų3296.1 Ų96.119%0.19452%0.52CS..Hα-helixtrans-71.6-39.6-179.4177.90000111.8I21 L22 L23 H27 A28 G29 L72 I77I21-V25 HydrophobicContact CG2-CG2 4.31Å; I21-V25 WeakPolarHBondContact O-CG2 3.34Å; I21-V25 PolarHBondContact O-N 3.38Å; L22-V25 PolarHBondContact O-N 2.95Å; L23-V25 VanDerWaalsContact C-N 3.33Å; L23-V25 PolarHBondContact O-N 3.38Å; V25-H27 VanDerWaalsContact C-N 3.28Å; V25-H27 PolarHBondContact O-N 2.74Å; V25-A28 PolarHBondContact O-N 3.25Å; V25-G29 PolarHBondContact O-N 2.84Å; V25-L72 HydrophobicContact CG1-CD2 4.29Å; V25-L72 HydrophobicContact CG2-CD2 4.18Å; V25-I77 HydrophobicContact CG2-CD1 3.55Å; V25-I77 HydrophobicContact CG2-CG1 3.79Å
26L55.6Low45.7Very low101 Ų10193 Ų9353%0.52952%0.519SS..Hα-helixtrans-62.2-34.7177-75.6165.3000112.5L22 L23 S30L22-L26 HydrophobicContact CG-CD1 4.38Å; L22-L26 WeakPolarHBondContact O-CB 3.43Å; L22-L26 WeakPolarHBondContact O-CD1 3.16Å; L22-L26 WeakPolarHBondContact O-CG 3.47Å; L22-L26 PolarHBondContact O-N 3.37Å; L23-L26 PolarHBondContact O-N 3.45Å; L26-S30 PolarHBondContact O-OG 3.19Å
27H53.8Low45.6Very low123 Ų12395 Ų9557%0.56953%0.53SS*.Hα-helixtrans-77.9-28.9175.7-70.579.7000112.7L23 V25L23-H27 PolarHBondContact O-N 3.02Å; L23-H27 PolarHBondContact O-ND1 3.46Å; V25-H27 VanDerWaalsContact C-N 3.28Å; V25-H27 PolarHBondContact O-N 2.74Å
28A50.4Low45.3Very low35 Ų3597 Ų9729%0.28955%0.547SS..Hα-helixtrans-77.4-25.5176.300000113.6L24 V25 T128L24-A28 PolarHBondContact O-N 3.15Å; V25-A28 PolarHBondContact O-N 3.25Å; A28-T128 HydrophobicContact CB-CG2 4.29Å
29G39Very low44.8Very low53 Ų53102.7 Ų102.755%0.54657%0.568SS.*SBendtrans-98.92.2-173.500000117.2V25V25-G29 PolarHBondContact O-N 2.84Å
30S36.3Very low44.7Very low70 Ų70100.9 Ų100.949%0.4956%0.564SS.*  trans-109.1123.9-173.5-56.90000112.1L26 V32L26-S30 PolarHBondContact O-OG 3.19Å; S30-V32 PolarHBondContact O-N 3.19Å; S30-V32 VanDerWaalsContact O-N 3.15Å
31P34.9Very low45Very low129 Ų12996.1 Ų96.184%0.83855%0.551SS**  trans-71.5105.9161.928-28000107.9Y33P31-Y33 PolarHBondContact O-N 2.92Å; P31-Y33 VanDerWaalsContact O-N 3.08Å
32V37Very low45.8Very low115 Ų115100.3 Ų100.370%0.69757%0.573SS**  trans-71.5104.8179-179.70000108.8S30 S34S30-V32 PolarHBondContact O-N 3.19Å; S30-V32 VanDerWaalsContact O-N 3.15Å; V32-S34 PolarHBondContact O-N 2.9Å
33Y28.4Very low47.1Very low237 Ų237101 Ų10193%0.92957%0.572SS**  trans-72.1108.3162-151.9-93.6000107.1P31P31-Y33 PolarHBondContact O-N 2.92Å; P31-Y33 VanDerWaalsContact O-N 3.08Å
34S33.6Very low48.3Very low93 Ų93102 Ų10265%0.6558%0.581SS**  trans-80.9133.5-168.4560000112.8V32V32-S34 PolarHBondContact O-N 2.9Å
35Q31.7Very low49.6Very low203 Ų203104.5 Ų104.595%0.94959%0.594SS**SBendtrans-136.4116.6134.6-87.3-167-14.400107.6
36G31.6Very low51.2Low63 Ų63110.2 Ų110.265%0.64962%0.623SS**SBendtrans106.889.9174.400000114S38G36-S38 PolarHBondContact O-N 3.16Å
37D40.4Very low53Low167 Ų167109.9 Ų109.989%0.89362%0.622SS**  trans10.587.6151.7-142.36.2000117.1
38S36.8Very low55Low105 Ų105106.2 Ų106.273%0.73461%0.606SS**  trans-150.587.4159.149.20000108.2G36 S40G36-S38 PolarHBondContact O-N 3.16Å; S38-S40 PolarHBondContact O-N 2.96Å
39Q40.5Very low57.2Low167 Ų167107.9 Ų107.978%0.7861%0.613SS**  trans-66.197.7179.5-156.1164.19.100108.5D41Q39-D41 PolarHBondContact O-N 3.26Å
40S51.7Low59.9Low67 Ų67105.8 Ų105.847%0.46959%0.589SS.*  trans-60.9118.7165.858.10000107.6S38 N42S38-S40 PolarHBondContact O-N 2.96Å; S40-N42 PolarHBondContact O-N 3.48Å; S40-N42 PolarHBondContact OG-ND2 2.91Å; S40-N42 PolarHBondContact OG-OD1 3.19Å
41D61.3Low62.7Low55 Ų55106.9 Ų106.929%0.29458%0.583SS.*  trans-69.577.1173.8-78.4-32.2000109.1Q39 K43 R125 R127 T128Q39-D41 PolarHBondContact O-N 3.26Å; D41-K43 PolarHBondContact O-N 3.11Å; D41-R125 IonicContact OD2-CZ 3.31Å; D41-R125 IonicContact OD2-NE 3.13Å; D41-R125 PolarHBondContact OD2-NE 3.42Å; D41-R125 IonicContact OD2-NH2 2.95Å; D41-R125 PolarHBondContact OD2-NH2 3.25Å; D41-R127 HydrophobicContact CB-CG 4.3Å; D41-T128 PolarHBondContact O-N 2.76Å
42N70.7Confident65.7Low98 Ų98105.2 Ų105.252%0.52456%0.564SS.*EExtended strand (participates in β ladder)trans-87.3104.7173.9-68.4-7.8000107.4S40 T128S40-N42 PolarHBondContact O-N 3.48Å; S40-N42 PolarHBondContact OG-ND2 2.91Å; S40-N42 PolarHBondContact OG-OD1 3.19Å; N42-T128 WeakPolarHBondContact CA-O 3.31Å; N42-T128 PolarHBondContact OD1-OG1 2.65Å
43K81.8Confident68.5Low110 Ų110101.8 Ų101.848%0.47855%0.551SS.*EExtended strand (participates in β ladder)trans-90134.4175.5-172.4178.9177.6-1730108.8D41 T128 T129 S130D41-K43 PolarHBondContact O-N 3.11Å; K43-T128 PolarHBondContact N-O 3.2Å; K43-T129 HydrophobicContact CB-CG2 4.2Å; K43-T129 HydrophobicContact CD-CG2 4.41Å; K43-T129 HydrophobicContact CG-CG2 4.35Å; K43-T129 CarbonylContact O-C 3.5Å; K43-T129 VanDerWaalsContact O-CA 3.23Å; K43-T129 WeakPolarHBondContact O-CA 3.28Å; K43-S130 PolarHBondContact O-N 3.03Å
44V84.9Confident71.7Confident110 Ų11095.3 Ų95.367%0.66753%0.53SS*.EExtended strand (participates in β ladder)trans-107.1126.3171-175.10000107.3
45M85.2Confident74.8Confident62 Ų6293.3 Ų93.331%0.30551%0.513SS..PPolyproline II helixtrans-87.7159.4173.3-67.6176.271.500110.2T129 S130 V131M45-T129 HydrophobicContact CG-CG2 3.42Å; M45-T129 VanDerWaalsContact CG-CG2 3.42Å; M45-T129 HydrophobicContact SD-CG2 3.44Å; M45-T129 WeakPolarHBondContact SD-CG2 3.48Å; M45-S130 PolarHBondContact N-O 3.35Å; M45-V131 HydrophobicContact CB-CB 4.1Å; M45-V131 HydrophobicContact CB-CG2 4.19Å; M45-V131 HydrophobicContact SD-CB 4.45Å
46D90.1Very high77.9Confident152 Ų15283.8 Ų83.881%0.81347%0.469SS*.PPolyproline II helixtrans-59.4147.8168.4-63.1-34.1000110.4V131D46-V131 WeakPolarHBondContact O-CG2 3.5Å
47N93.6Very high81.1Confident93 Ų9386.2 Ų86.250%0.49746%0.462SS..PPolyproline II helixtrans-61.7140.3179.9-63.4-14.9000110.3H132 L134N47-H132 CarbonylContact C-O 3.59Å; N47-H132 VanDerWaalsContact CA-O 3.28Å; N47-H132 WeakPolarHBondContact CA-O 3.22Å; N47-H132 VanDerWaalsContact OD1-CB 3.27Å; N47-H132 WeakPolarHBondContact OD1-CB 3.33Å; N47-L134 HydrophobicContact CB-CD1 3.91Å; N47-L134 HydrophobicContact CB-CG 4.35Å
48I95.5Very high83.8Confident47 Ų4778.3 Ų78.324%0.24142%0.42CS..EExtended strand (participates in β ladder)trans-97.5120.2172.2-61.6170.7000107.6V56 L58 V131 H132 V133 L134I48-V56 HydrophobicContact CB-CG2 4.48Å; I48-V56 HydrophobicContact CG2-CG2 3.6Å; I48-L58 HydrophobicContact CD1-CD2 4.13Å; I48-V131 HydrophobicContact CB-CG2 4.44Å; I48-V131 HydrophobicContact CD1-CG2 3.64Å; I48-V131 HydrophobicContact CG1-CG2 3.68Å; I48-H132 PolarHBondContact N-O 3.26Å; I48-V133 CarbonylContact O-C 3.36Å; I48-V133 VanDerWaalsContact O-CA 3.31Å; I48-V133 WeakPolarHBondContact O-CA 3.17Å; I48-L134 PolarHBondContact O-N 2.84Å
49T95.4Very high86.6Confident69 Ų6979 Ų7942%0.42341%0.406SS..EExtended strand (participates in β ladder)trans-102.2131.2177.5-51.20000109.7L134 Q136T49-L134 WeakPolarHBondContact CA-O 3.19Å; T49-L134 HydrophobicContact CG2-CB 4.37Å; T49-Q136 HydrophobicContact CG2-CG 3.59Å
50V96.5Very high89Confident9 Ų971 Ų716%0.05537%0.369CS..EExtended strand (participates in β ladder)trans-138.9140.5-176.261.10000110.6E54 V56 V108 V133 L134 V135 Q136V50-E54 HydrophobicContact CG2-CB 3.91Å; V50-V56 HydrophobicContact CB-CB 4.32Å; V50-V56 HydrophobicContact CG1-CB 4.21Å; V50-V56 HydrophobicContact CG2-CB 4.24Å; V50-V108 HydrophobicContact CG1-CB 4.37Å; V50-V108 HydrophobicContact CG1-CG1 3.81Å; V50-V108 HydrophobicContact CG1-CG2 4.33Å; V50-V108 HydrophobicContact CG2-CG2 4.31Å; V50-V133 HydrophobicContact CG1-CG1 3.86Å; V50-L134 PolarHBondContact N-O 3.26Å; V50-V135 HydrophobicContact CG1-CG2 4.37Å; V50-V135 WeakPolarHBondContact O-CA 3.35Å; V50-Q136 PolarHBondContact O-N 3.1Å
51R95.9Very high90.8Very high94 Ų9474 Ų7436%0.35538%0.376SS..EExtended strand (participates in β ladder)trans-76.3142.8175.3-64.3178.2178.1-154.4-6.6110.1G53 E54 Q136 I209R51-G53 PolarHBondContact O-N 3.49Å; R51-E54 HydrophobicContact CB-CG 4.02Å; R51-E54 WeakPolarHBondContact O-CB 3.43Å; R51-E54 PolarHBondContact O-N 2.95Å; R51-Q136 CarbonylContact C-O 3.51Å; R51-Q136 WeakPolarHBondContact CA-O 3.41Å; R51-I209 HydrophobicContact CG-CG2 4.29Å; R51-I209 VanDerWaalsContact NH2-CG2 3.31Å; R51-I209 PolarHBondContact NH2-O 2.82Å; R51-I209 VanDerWaalsContact NH2-O 3.08Å
52Q96.2Very high91.9Very high94 Ų9472.1 Ų72.144%0.43937%0.365SS..THydrogen-bonded Turntrans-54.3133.3174.7-173.7-178.926.200110.8E54 V108 V135 Q136 V137Q52-E54 VanDerWaalsContact C-N 3.31Å; Q52-V108 WeakPolarHBondContact CG-O 3.48Å; Q52-V135 HydrophobicContact CB-CG1 4.22Å; Q52-Q136 PolarHBondContact N-O 3.47Å; Q52-V137 HydrophobicContact CB-CG2 4.19Å
53G95.9Very high92.2Very high42 Ų4268.7 Ų68.743%0.43335%0.353SS..THydrogen-bonded Turntrans87.6-12.7-176.900000114.5R51 V108R51-G53 PolarHBondContact O-N 3.49Å; G53-V108 PolarHBondContact N-O 2.84Å
54E96.8Very high91.7Very high102 Ų10270.9 Ų70.948%0.47737%0.37SS..SBendtrans-82.4-179174.4-64.1-171.6163.500112V50 R51 Q52 N107 V108V50-E54 HydrophobicContact CG2-CB 3.91Å; R51-E54 HydrophobicContact CB-CG 4.02Å; R51-E54 WeakPolarHBondContact O-CB 3.43Å; R51-E54 PolarHBondContact O-N 2.95Å; Q52-E54 VanDerWaalsContact C-N 3.31Å; E54-N107 PolarHBondContact O-N 2.03Å; E54-V108 WeakPolarHBondContact O-CG2 3.33Å; E54-V108 PolarHBondContact O-N 3.36Å
55T98.1Very high91.6Very high50 Ų5070 Ų7031%0.30737%0.365SS..  trans-106.3130.1178-60.30000109.9F57 K104 I105 E106T55-F57 HydrophobicContact CG2-CD2 4.45Å; T55-F57 HydrophobicContact CG2-CE1 4.48Å; T55-F57 HydrophobicContact CG2-CE2 3.93Å; T55-F57 HydrophobicContact CG2-CZ 3.95Å; T55-K104 HydrophobicContact CG2-CB 3.9Å; T55-K104 HydrophobicContact CG2-CD 4.11Å; T55-K104 HydrophobicContact CG2-CG 4.42Å; T55-I105 VanDerWaalsContact CA-O 3.31Å; T55-I105 WeakPolarHBondContact CA-O 3.19Å; T55-E106 HydrophobicContact CG2-CG 4.02Å
56V97.9Very high91.6Very high4 Ų468.7 Ų68.72%0.02436%0.36CS..EExtended strand (participates in β ladder)trans-99.1138.317165.90000110.6I48 V50 L58 K104 I105 V108 V133I48-V56 HydrophobicContact CB-CG2 4.48Å; I48-V56 HydrophobicContact CG2-CG2 3.6Å; V50-V56 HydrophobicContact CB-CB 4.32Å; V50-V56 HydrophobicContact CG1-CB 4.21Å; V50-V56 HydrophobicContact CG2-CB 4.24Å; V56-L58 HydrophobicContact CG2-CD2 4.3Å; V56-K104 CarbonylContact O-C 3.55Å; V56-K104 WeakPolarHBondContact O-CA 2.95Å; V56-I105 HydrophobicContact CG1-CB 3.77Å; V56-I105 HydrophobicContact CG1-CD1 4.23Å; V56-I105 HydrophobicContact CG1-CG1 4.1Å; V56-I105 PolarHBondContact N-O 2.82Å; V56-I105 PolarHBondContact O-N 3.14Å; V56-V108 HydrophobicContact CB-CG2 4.04Å; V56-V108 HydrophobicContact CG1-CG2 3.66Å; V56-V133 HydrophobicContact CG2-CG1 4.39Å; V56-V133 HydrophobicContact CG2-CG2 4.32Å
57F97.5Very high91.3Very high114 Ų11464.8 Ų64.850%0.534%0.342SS..EExtended strand (participates in β ladder)trans-108.3117.1174.9-64.1-91.5000109.5T55 R59 V94 K104T55-F57 HydrophobicContact CG2-CD2 4.45Å; T55-F57 HydrophobicContact CG2-CE1 4.48Å; T55-F57 HydrophobicContact CG2-CE2 3.93Å; T55-F57 HydrophobicContact CG2-CZ 3.95Å; F57-R59 PolarHBondContact O-N 2.89Å; F57-V94 HydrophobicContact CD1-CG2 4.24Å; F57-V94 HydrophobicContact CE1-CG2 4.31Å; F57-K104 HydrophobicContact CD1-CB 3.86Å; F57-K104 HydrophobicContact CE1-CB 3.96Å; F57-K104 HydrophobicContact CE1-CD 4.13Å
58L96.8Very high91.1Very high0 Ų063.1 Ų63.10%033%0.331CS..EExtended strand (participates in β ladder)trans-97.194.4177.4-60.4176.3000108.4I48 V56 W71 T102 I103 I105 Y116 V131 V133I48-L58 HydrophobicContact CD1-CD2 4.13Å; V56-L58 HydrophobicContact CG2-CD2 4.3Å; L58-W71 HydrophobicContact CB-CD2 4.39Å; L58-W71 HydrophobicContact CB-CE3 4.47Å; L58-W71 HydrophobicContact CB-CH2 3.86Å; L58-W71 HydrophobicContact CB-CZ2 3.73Å; L58-W71 HydrophobicContact CB-CZ3 4.23Å; L58-W71 VanDerWaalsContact O-CZ2 3.25Å; L58-W71 WeakPolarHBondContact O-CZ2 3.34Å; L58-W71 PolarHBondContact O-NE1 2.86Å; L58-T102 VanDerWaalsContact O-CA 3.29Å; L58-T102 WeakPolarHBondContact O-CA 3.28Å; L58-I103 HydrophobicContact CB-CG1 3.85Å; L58-I103 HydrophobicContact CD1-CD1 3.98Å; L58-I103 HydrophobicContact CD1-CG1 4.06Å; L58-I103 HydrophobicContact CG-CG1 4.42Å; L58-I103 PolarHBondContact N-O 3.2Å; L58-I103 PolarHBondContact O-N 3.46Å; L58-I103 VanDerWaalsContact O-N 3.16Å; L58-I105 HydrophobicContact CD1-CD1 4.08Å; L58-Y116 HydrophobicContact CD1-CD1 3.42Å; L58-Y116 VanDerWaalsContact CD1-CD1 3.42Å; L58-Y116 HydrophobicContact CD1-CD2 4.47Å; L58-Y116 HydrophobicContact CD1-CE1 3.94Å; L58-Y116 HydrophobicContact CD1-CG 3.73Å; L58-Y116 HydrophobicContact CD2-CG 4.41Å; L58-V131 HydrophobicContact CD2-CG1 4.03Å; L58-V133 HydrophobicContact CD2-CG2 3.69Å
59R95.3Very high90.9Very high119 Ų11961.4 Ų61.445%0.44932%0.323SS..EExtended strand (participates in β ladder)trans-91.9129.5-179.2174.8173.3173.9119.9-2.7111.2F57 E100 T102F57-R59 PolarHBondContact O-N 2.89Å; R59-E100 WeakPolarHBondContact CD-OE1 2.95Å; R59-E100 HydrophobicContact CG-CG 4.26Å; R59-E100 WeakPolarHBondContact CG-OE1 3.32Å; R59-E100 VanDerWaalsContact CZ-CD 3.4Å; R59-E100 IonicContact CZ-OE1 3.47Å; R59-E100 VanDerWaalsContact CZ-OE1 3.29Å; R59-E100 IonicContact CZ-OE2 3.49Å; R59-E100 IonicContact NE-OE1 3.16Å; R59-E100 PolarHBondContact NE-OE1 2.72Å; R59-E100 IonicContact NH1-OE1 3.95Å; R59-E100 PolarHBondContact NH1-OE1 3.25Å; R59-E100 IonicContact NH1-OE2 2.84Å; R59-E100 PolarHBondContact NH1-OE2 3.14Å; R59-E100 IonicContact NH2-OE2 3.6Å; R59-T102 WeakPolarHBondContact CA-OG1 3.23Å; R59-T102 HydrophobicContact CB-CG2 4.28Å
60C91.7Very high90.8Very high1 Ų158.2 Ų58.21%0.00730%0.303CS..EExtended strand (participates in β ladder)trans-122.4118.4173.7-175.60000110.5Q62 W71 E100 F101 C118C60-Q62 PolarHBondContact O-N 3.31Å; C60-W71 HydrophobicContact CB-CH2 4.39Å; C60-W71 HydrophobicContact CB-CZ2 3.56Å; C60-E100 WeakPolarHBondContact O-CA 3.48Å; C60-F101 HydrophobicContact CB-CB 4.46Å; C60-F101 VanDerWaalsContact CB-O 3.29Å; C60-F101 WeakPolarHBondContact CB-O 3Å; C60-F101 PolarHBondContact N-O 3.46Å; C60-F101 PolarHBondContact O-N 3.4Å; C60-C118 HydrophobicContact CB-CB 3.56Å; C60-C118 WeakPolarHBondContact CB-SG 3.44Å; C60-C118 WeakPolarHBondContact SG-CB 3.25Å; C60-C118 CovalentContact SG-SG 2.03Å; C60-C118 PolarHBondContact SG-SG 2.98Å
61E90.2Very high90.8Very high130 Ų13057.8 Ų57.861%0.60730%0.301SS*.EExtended strand (participates in β ladder)trans-77.1121.2170.7-69.2179.5171.200110.1E99E61-E99 WeakPolarHBondContact CA-O 3.12Å
62Q84.6Confident90.7Very high14 Ų1453.5 Ų53.57%0.06529%0.285CS..  trans-98.5120.7-178.7-64.3-175.5107.700107.9C60 V66 T69 N97 Q98 E99 E100 F101C60-Q62 PolarHBondContact O-N 3.31Å; Q62-V66 HydrophobicContact CB-CG2 3.89Å; Q62-T69 VanDerWaalsContact OE1-CB 3.25Å; Q62-T69 PolarHBondContact OE1-OG1 2.79Å; Q62-N97 PolarHBondContact NE2-O 3.22Å; Q62-Q98 VanDerWaalsContact CB-O 3.28Å; Q62-Q98 WeakPolarHBondContact CB-O 3.49Å; Q62-E99 PolarHBondContact N-O 2.93Å; Q62-E99 WeakPolarHBondContact O-CA 3.42Å; Q62-E100 PolarHBondContact NE2-O 2.95Å; Q62-F101 VanDerWaalsContact CD-CB 3.49Å; Q62-F101 HydrophobicContact CG-CB 4.07Å
63G76.1Confident90.6Very high27 Ų2750.6 Ų50.628%0.27827%0.273SS..  trans-74.4-176.1177.200000112.6V65 V66G63-V65 PolarHBondContact O-N 3.14Å; G63-V66 WeakPolarHBondContact O-CG2 3.44Å
64D72.4Confident90Very high156 Ų15656.5 Ų56.583%0.83428%0.282SS*.SBendtrans-64.4129.2-173.8-64.8-38.1000113.7
65V81.4Confident89.3Confident92 Ų9256 Ų5656%0.55829%0.289SS*.SBendtrans62.371.8175.5-163.50000114G63G63-V65 PolarHBondContact O-N 3.14Å
66V85Confident88.9Confident34 Ų3457.6 Ų57.621%0.20630%0.302CS..EExtended strand (participates in β ladder)trans-82.4134.9168.3178.50000111Q62 G63 H68 V120Q62-V66 HydrophobicContact CB-CG2 3.89Å; G63-V66 WeakPolarHBondContact O-CG2 3.44Å; V66-H68 WeakPolarHBondContact CG1-O 3.34Å; V66-V120 HydrophobicContact CB-CG1 4.12Å; V66-V120 HydrophobicContact CG1-CG1 3.58Å; V66-V120 HydrophobicContact CG2-CG1 3.42Å; V66-V120 VanDerWaalsContact CG2-CG1 3.42Å
67T85.5Confident88.7Confident70 Ų7058.6 Ų58.643%0.42931%0.307SS..EExtended strand (participates in β ladder)trans-97.7-38.3173.9640000112.3Q121T67-Q121 PolarHBondContact N-O 2.82Å; T67-Q121 WeakPolarHBondContact OG1-CG 3.41Å; T67-Q121 PolarHBondContact OG1-O 2.72Å
68H88.1Confident88.6Confident58 Ų5853.7 Ų53.727%0.26929%0.287SS..EExtended strand (participates in β ladder)trans-148.2146.8-178.6-61.677.3000109L24 V66 Q121L24-H68 HydrophobicContact CD1-CB 3.6Å; V66-H68 WeakPolarHBondContact CG1-O 3.34Å; H68-Q121 HydrophobicContact CB-CB 4.12Å; H68-Q121 PolarHBondContact O-N 3.44Å
69T91.3Very high88.6Confident10 Ų1054.7 Ų54.76%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-143.6146.1179.9-168.30000109.7Q62 A80 G81 L96 F101 A119Q62-T69 VanDerWaalsContact OE1-CB 3.25Å; Q62-T69 PolarHBondContact OE1-OG1 2.79Å; T69-A80 CarbonylContact O-C 3.56Å; T69-A80 WeakPolarHBondContact O-CA 3.43Å; T69-G81 PolarHBondContact O-N 2.84Å; T69-L96 HydrophobicContact CG2-CD1 3.69Å; T69-F101 HydrophobicContact CG2-CB 4.33Å; T69-F101 HydrophobicContact CG2-CD1 3.62Å; T69-F101 HydrophobicContact CG2-CD2 4.36Å; T69-F101 HydrophobicContact CG2-CE1 3.8Å; T69-F101 HydrophobicContact CG2-CG 3.89Å; T69-F101 HydrophobicContact CG2-CZ 4.26Å; T69-F101 WeakPolarHBondContact OG1-CD1 3.47Å; T69-A119 CarbonylContact C-O 3.43Å; T69-A119 WeakPolarHBondContact CA-O 3.45Å
70A94.4Very high88.5Confident2 Ų249.4 Ų49.42%0.01727%0.272CS..EExtended strand (participates in β ladder)trans-148.5141.5178.800000111.6L72 Y79 A80 C118 A119A70-L72 HydrophobicContact CB-CD1 4.13Å; A70-Y79 CarbonylContact C-O 3.5Å; A70-Y79 WeakPolarHBondContact CA-O 3.43Å; A70-Y79 WeakPolarHBondContact CB-O 3.45Å; A70-A80 HydrophobicContact CB-CB 4.24Å; A70-C118 CarbonylContact O-C 3.54Å; A70-C118 WeakPolarHBondContact O-CA 3.29Å; A70-A119 PolarHBondContact N-O 2.87Å; A70-A119 PolarHBondContact O-N 3.37Å
71W96Very high88.5Confident0 Ų050.2 Ų50.20%028%0.28CS..EExtended strand (participates in β ladder)trans-100.9132168.9-91.9113.3000108.6L58 C60 L78 Y79 F101 I103 V117 C118 V131L58-W71 HydrophobicContact CB-CD2 4.39Å; L58-W71 HydrophobicContact CB-CE3 4.47Å; L58-W71 HydrophobicContact CB-CH2 3.86Å; L58-W71 HydrophobicContact CB-CZ2 3.73Å; L58-W71 HydrophobicContact CB-CZ3 4.23Å; L58-W71 VanDerWaalsContact O-CZ2 3.25Å; L58-W71 WeakPolarHBondContact O-CZ2 3.34Å; L58-W71 PolarHBondContact O-NE1 2.86Å; C60-W71 HydrophobicContact CB-CH2 4.39Å; C60-W71 HydrophobicContact CB-CZ2 3.56Å; W71-L78 HydrophobicContact CB-CB 4.46Å; W71-L78 PolarHBondContact O-N 3.08Å; W71-Y79 PolarHBondContact N-O 2.84Å; W71-Y79 PolarHBondContact O-N 2.81Å; W71-F101 HydrophobicContact CB-CE1 4.16Å; W71-F101 AromaticContact CD1-CD1 3.35Å; W71-F101 AromaticContact CD1-CE1 3.21Å; W71-F101 AromaticContact CD1-CG 3.93Å; W71-F101 AromaticContact CD1-CZ 3.66Å; W71-F101 HydrophobicContact CG-CD1 4.26Å; W71-F101 AromaticContact CG-CE1 3.89Å; W71-F101 HydrophobicContact CG-CE1 3.89Å; W71-F101 HydrophobicContact CG-CZ 4.44Å; W71-F101 AromaticContact NE1-CD1 3.65Å; W71-F101 AromaticContact NE1-CG 4Å; W71-F101 PolarHBondContact NE1-O 3.38Å; W71-I103 HydrophobicContact CB-CD1 3.58Å; W71-I103 HydrophobicContact CB-CG1 4.34Å; W71-I103 HydrophobicContact CD2-CD1 4.25Å; W71-I103 HydrophobicContact CD2-CG1 4.32Å; W71-I103 HydrophobicContact CG-CD1 3.66Å; W71-I103 HydrophobicContact CG-CG1 3.89Å; W71-I103 HydrophobicContact CG-CG2 4.42Å; W71-V117 CarbonylContact C-O 3.57Å; W71-V117 WeakPolarHBondContact CA-O 3.45Å; W71-V117 VanDerWaalsContact CE3-C 3.46Å; W71-C118 HydrophobicContact CD2-CB 4.1Å; W71-C118 HydrophobicContact CE3-CB 4.03Å; W71-C118 HydrophobicContact CH2-CB 3.77Å; W71-C118 HydrophobicContact CZ2-CB 3.84Å; W71-C118 HydrophobicContact CZ3-CB 3.87Å; W71-V131 HydrophobicContact CH2-CG1 4.08Å; W71-V131 HydrophobicContact CZ3-CG1 4.08Å
72L94.2Very high88.7Confident4 Ų451.4 Ų51.42%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-123.6140.4-179.9-58.888000109.6V25 A70 S76 I77 Y116 V117 A119V25-L72 HydrophobicContact CG1-CD2 4.29Å; V25-L72 HydrophobicContact CG2-CD2 4.18Å; A70-L72 HydrophobicContact CB-CD1 4.13Å; L72-S76 CarbonylContact C-O 3.5Å; L72-S76 VanDerWaalsContact CA-O 3.22Å; L72-S76 WeakPolarHBondContact CA-O 3.22Å; L72-I77 HydrophobicContact CD2-CG1 4.45Å; L72-Y116 CarbonylContact O-C 3.52Å; L72-Y116 VanDerWaalsContact O-CA 3.26Å; L72-Y116 WeakPolarHBondContact O-CA 3.17Å; L72-V117 HydrophobicContact CB-CB 4.39Å; L72-V117 WeakPolarHBondContact CD1-O 3.43Å; L72-V117 PolarHBondContact N-O 3.08Å; L72-V117 PolarHBondContact O-N 3.44Å; L72-A119 HydrophobicContact CD1-CB 3.81Å
73N93Very high89.1Confident34 Ų3455 Ų5518%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-101.5114.2161.9179.2-7.5000107.2S75 S76 L78 Y116N73-S75 PolarHBondContact O-N 2.81Å; N73-S76 PolarHBondContact N-O 2.79Å; N73-S76 PolarHBondContact O-N 2.84Å; N73-L78 HydrophobicContact CB-CD1 4.05Å; N73-L78 HydrophobicContact CB-CD2 3.96Å; N73-L78 HydrophobicContact CB-CG 4.05Å; N73-Y116 HydrophobicContact CB-CD1 3.92Å; N73-Y116 HydrophobicContact CB-CE1 3.65Å; N73-Y116 PolarHBondContact ND2-OH 2.87Å
74R84.6Confident90Very high166 Ų16657.8 Ų57.863%0.62631%0.31SS*.THydrogen-bonded Turntrans54.3-101.7-171-59165.1-171.2-97.1-2.3110.8E113 Q115R74-E113 PolarHBondContact NH2-O 2.8Å; R74-E113 VanDerWaalsContact NH2-O 3.08Å; R74-Q115 PolarHBondContact N-O 2.87Å; R74-Q115 VanDerWaalsContact N-O 3.08Å
75S81.6Confident91.1Very high91 Ų9156.2 Ų56.264%0.63629%0.293SS*.THydrogen-bonded Turntrans-113.9-1.9178-51.60000113.6N73N73-S75 PolarHBondContact O-N 2.81Å
76S89.8Confident91.7Very high83 Ų8352.9 Ų52.958%0.5827%0.273SS*.EExtended strand (participates in β ladder)trans-94.2128.8-178-65.20000110.7L72 N73 L78L72-S76 CarbonylContact C-O 3.5Å; L72-S76 VanDerWaalsContact CA-O 3.22Å; L72-S76 WeakPolarHBondContact CA-O 3.22Å; N73-S76 PolarHBondContact N-O 2.79Å; N73-S76 PolarHBondContact O-N 2.84Å; S76-L78 PolarHBondContact O-N 2.84Å
77I93.1Very high92.2Very high25 Ų2558.1 Ų58.113%0.12831%0.305CS..EExtended strand (participates in β ladder)trans-71.9126.1175.7-51.6175.1000109I21 V25 L72 A80 W85I21-I77 HydrophobicContact CG2-CD1 3.48Å; I21-I77 VanDerWaalsContact CG2-CD1 3.48Å; V25-I77 HydrophobicContact CG2-CD1 3.55Å; V25-I77 HydrophobicContact CG2-CG1 3.79Å; L72-I77 HydrophobicContact CD2-CG1 4.45Å; I77-A80 HydrophobicContact CG2-CB 4.15Å; I77-W85 HydrophobicContact CB-CB 4.06Å; I77-W85 HydrophobicContact CB-CD2 4.35Å; I77-W85 HydrophobicContact CB-CE3 4.47Å; I77-W85 HydrophobicContact CB-CG 4.19Å; I77-W85 HydrophobicContact CD1-CD2 4.28Å; I77-W85 HydrophobicContact CD1-CE3 4.13Å; I77-W85 HydrophobicContact CD1-CZ3 4.3Å; I77-W85 HydrophobicContact CG2-CB 3.93Å; I77-W85 HydrophobicContact CG2-CD2 4.27Å; I77-W85 HydrophobicContact CG2-CG 3.83Å; I77-W85 VanDerWaalsContact O-CB 3.29Å; I77-W85 WeakPolarHBondContact O-CB 3.26Å
78L95.5Very high92.8Very high12 Ų1256.5 Ų56.56%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-88.3-50.6171.6-61.2-179.2000110.9W71 N73 S76 W85 S86 V91 I103 Y116W71-L78 HydrophobicContact CB-CB 4.46Å; W71-L78 PolarHBondContact O-N 3.08Å; N73-L78 HydrophobicContact CB-CD1 4.05Å; N73-L78 HydrophobicContact CB-CD2 3.96Å; N73-L78 HydrophobicContact CB-CG 4.05Å; S76-L78 PolarHBondContact O-N 2.84Å; L78-W85 PolarHBondContact O-N 3.5Å; L78-S86 PolarHBondContact O-N 2.63Å; L78-V91 HydrophobicContact CB-CG1 4.34Å; L78-V91 HydrophobicContact CD1-CG1 4.45Å; L78-I103 HydrophobicContact CB-CD1 4.21Å; L78-I103 HydrophobicContact CD1-CD1 3.66Å; L78-Y116 HydrophobicContact CD1-CD1 3.93Å; L78-Y116 HydrophobicContact CD1-CE1 3.9Å
79Y96.1Very high93.2Very high21 Ų2159 Ų598%0.08232%0.316CS..EExtended strand (participates in β ladder)trans-141.3144177.6-92.2-92.6000109.8A70 W71 D83 K84 V91 L93 I103A70-Y79 CarbonylContact C-O 3.5Å; A70-Y79 WeakPolarHBondContact CA-O 3.43Å; A70-Y79 WeakPolarHBondContact CB-O 3.45Å; W71-Y79 PolarHBondContact N-O 2.84Å; W71-Y79 PolarHBondContact O-N 2.81Å; Y79-D83 WeakPolarHBondContact CA-O 3.34Å; Y79-D83 WeakPolarHBondContact CD1-O 3.45Å; Y79-K84 HydrophobicContact CD1-CB 4.15Å; Y79-K84 HydrophobicContact CD2-CG 4.34Å; Y79-K84 HydrophobicContact CE1-CB 3.56Å; Y79-K84 HydrophobicContact CE1-CG 4.11Å; Y79-K84 HydrophobicContact CE2-CB 4.13Å; Y79-K84 HydrophobicContact CE2-CD 4.09Å; Y79-K84 HydrophobicContact CE2-CG 3.72Å; Y79-K84 WeakPolarHBondContact OH-CD 3.36Å; Y79-V91 HydrophobicContact CD2-CG1 4.14Å; Y79-V91 HydrophobicContact CE2-CG1 4.04Å; Y79-L93 HydrophobicContact CD1-CB 4.4Å; Y79-L93 HydrophobicContact CE1-CB 3.76Å; Y79-L93 PolarHBondContact OH-N 3.27Å; Y79-I103 HydrophobicContact CD2-CG2 3.91Å; Y79-I103 HydrophobicContact CG-CG2 4.18Å
80A93.8Very high93.5Very high7 Ų760.8 Ų60.86%0.05832%0.321CS..EExtended strand (participates in β ladder)trans-129.5101.9169.100000108.7I21 T69 A70 I77 E82 D83I21-A80 HydrophobicContact CD1-CB 3.68Å; I21-A80 HydrophobicContact CG1-CB 4.22Å; I21-A80 HydrophobicContact CG2-CB 4.32Å; T69-A80 CarbonylContact O-C 3.56Å; T69-A80 WeakPolarHBondContact O-CA 3.43Å; A70-A80 HydrophobicContact CB-CB 4.24Å; I77-A80 HydrophobicContact CG2-CB 4.15Å; A80-E82 PolarHBondContact O-N 2.97Å; A80-D83 PolarHBondContact N-O 2.8Å; A80-D83 WeakPolarHBondContact O-CB 3.33Å; A80-D83 PolarHBondContact O-N 3.19Å; A80-D83 VanDerWaalsContact O-N 3.14Å
81G91.5Very high93.7Very high18 Ų1860.8 Ų60.819%0.18632%0.321CS..THydrogen-bonded Turntrans58.4-127.5-16400000111T69 D83T69-G81 PolarHBondContact O-N 2.84Å; G81-D83 VanDerWaalsContact C-N 3.34Å
82E93.9Very high93.8Very high155 Ų15562.2 Ų62.272%0.72433%0.331SS*.THydrogen-bonded Turntrans-80.6-15.4177.3-61.7-174.616800113A80 K84 L96A80-E82 PolarHBondContact O-N 2.97Å; E82-K84 PolarHBondContact O-N 2.88Å; E82-L96 HydrophobicContact CB-CD2 4.45Å; E82-L96 HydrophobicContact CG-CD2 3.45Å; E82-L96 VanDerWaalsContact CG-CD2 3.45Å
83D93.3Very high93.9Very high91 Ų9164.7 Ų64.749%0.48734%0.344SS..EExtended strand (participates in β ladder)trans-75.7117.3-176.8-64.4-35000110Y79 A80 G81Y79-D83 WeakPolarHBondContact CA-O 3.34Å; Y79-D83 WeakPolarHBondContact CD1-O 3.45Å; A80-D83 PolarHBondContact N-O 2.8Å; A80-D83 WeakPolarHBondContact O-CB 3.33Å; A80-D83 PolarHBondContact O-N 3.19Å; A80-D83 VanDerWaalsContact O-N 3.14Å; G81-D83 VanDerWaalsContact C-N 3.34Å
84K94.9Very high94.1Very high85 Ų8566.2 Ų66.237%0.3735%0.354SS..EExtended strand (participates in β ladder)trans-80117.8171.4-173.4176.2176.9169.20109.8Y79 E82 S86 D88 V91Y79-K84 HydrophobicContact CD1-CB 4.15Å; Y79-K84 HydrophobicContact CD2-CG 4.34Å; Y79-K84 HydrophobicContact CE1-CB 3.56Å; Y79-K84 HydrophobicContact CE1-CG 4.11Å; Y79-K84 HydrophobicContact CE2-CB 4.13Å; Y79-K84 HydrophobicContact CE2-CD 4.09Å; Y79-K84 HydrophobicContact CE2-CG 3.72Å; Y79-K84 WeakPolarHBondContact OH-CD 3.36Å; E82-K84 PolarHBondContact O-N 2.88Å; K84-S86 WeakPolarHBondContact CE-O 3.41Å; K84-S86 WeakPolarHBondContact CG-O 3.4Å; K84-D88 VanDerWaalsContact CE-O 3.3Å; K84-D88 WeakPolarHBondContact CE-O 3.26Å; K84-D88 PolarHBondContact NZ-O 2.68Å; K84-V91 VanDerWaalsContact CE-O 3.26Å; K84-V91 WeakPolarHBondContact CE-O 3.29Å; K84-V91 PolarHBondContact NZ-O 3.39Å
85W95.6Very high94.7Very high122 Ų12260.3 Ų60.346%0.46234%0.337SS..  trans-99.7-29.7176.5-7663.1000112.4I21 I77 L78 V87I21-W85 HydrophobicContact CD1-CZ2 4.29Å; I77-W85 HydrophobicContact CB-CB 4.06Å; I77-W85 HydrophobicContact CB-CD2 4.35Å; I77-W85 HydrophobicContact CB-CE3 4.47Å; I77-W85 HydrophobicContact CB-CG 4.19Å; I77-W85 HydrophobicContact CD1-CD2 4.28Å; I77-W85 HydrophobicContact CD1-CE3 4.13Å; I77-W85 HydrophobicContact CD1-CZ3 4.3Å; I77-W85 HydrophobicContact CG2-CB 3.93Å; I77-W85 HydrophobicContact CG2-CD2 4.27Å; I77-W85 HydrophobicContact CG2-CG 3.83Å; I77-W85 VanDerWaalsContact O-CB 3.29Å; I77-W85 WeakPolarHBondContact O-CB 3.26Å; L78-W85 PolarHBondContact O-N 3.5Å; W85-V87 PolarHBondContact O-N 3.34Å
86S94.9Very high95.3Very high22 Ų2258.7 Ų58.715%0.15432%0.321CS..  trans-64.1134.4173.8-174.60000110.9L78 K84 D88L78-S86 PolarHBondContact O-N 2.63Å; K84-S86 WeakPolarHBondContact CE-O 3.41Å; K84-S86 WeakPolarHBondContact CG-O 3.4Å; S86-D88 VanDerWaalsContact C-N 3.27Å; S86-D88 WeakPolarHBondContact OG-CB 3.25Å; S86-D88 PolarHBondContact OG-N 2.76Å; S86-D88 VanDerWaalsContact OG-N 3.1Å
87V95.6Very high95.4Very high145 Ų14558.5 Ų58.588%0.87931%0.313SS*.  trans-82-9.2169.4-63.30000112.6W85 P89W85-V87 PolarHBondContact O-N 3.34Å; V87-P89 WeakPolarHBondContact O-CD 3.21Å
88D96.7Very high95.1Very high36 Ų3664.8 Ų64.819%0.19334%0.342CS..  trans-70.2119.6-179.8-173.2-16.1000110.3K84 S86 R90 V91K84-D88 VanDerWaalsContact CE-O 3.3Å; K84-D88 WeakPolarHBondContact CE-O 3.26Å; K84-D88 PolarHBondContact NZ-O 2.68Å; S86-D88 VanDerWaalsContact C-N 3.27Å; S86-D88 WeakPolarHBondContact OG-CB 3.25Å; S86-D88 PolarHBondContact OG-N 2.76Å; S86-D88 VanDerWaalsContact OG-N 3.1Å; D88-R90 PolarHBondContact O-N 3.49Å; D88-R90 WeakPolarHBondContact OD1-CB 3.34Å; D88-R90 VanDerWaalsContact OD1-CG 3.25Å; D88-R90 WeakPolarHBondContact OD1-CG 3.3Å; D88-R90 PolarHBondContact OD1-N 3.26Å; D88-R90 IonicContact OD1-NE 2.68Å; D88-R90 PolarHBondContact OD1-NE 3.37Å; D88-R90 IonicContact OD2-CZ 3.35Å; D88-R90 IonicContact OD2-NE 3.2Å; D88-R90 PolarHBondContact OD2-NE 2.84Å; D88-R90 VanDerWaalsContact OD2-NE 3.1Å; D88-R90 IonicContact OD2-NH2 3.25Å; D88-R90 PolarHBondContact OD2-NH2 2.95Å; D88-V91 HydrophobicContact CB-CG2 3.95Å; D88-V91 PolarHBondContact O-N 3.29Å
89P97.2Very high94.8Very high111 Ų11171.4 Ų71.472%0.72137%0.372SS*.THydrogen-bonded Turntrans-64.3-24.2178.327.7-35.9000113.4V87 V91V87-P89 WeakPolarHBondContact O-CD 3.21Å; P89-V91 VanDerWaalsContact C-N 3.26Å; P89-V91 PolarHBondContact O-N 2.7Å
90R97.9Very high94.7Very high46 Ų4671.9 Ų71.917%0.17438%0.375CS..THydrogen-bonded Turntrans-68.1-26.2-179-59.2-178.3-58.8151.3-9.3113.1D88 I105 E106 N107 D109 D112D88-R90 PolarHBondContact O-N 3.49Å; D88-R90 WeakPolarHBondContact OD1-CB 3.34Å; D88-R90 VanDerWaalsContact OD1-CG 3.25Å; D88-R90 WeakPolarHBondContact OD1-CG 3.3Å; D88-R90 PolarHBondContact OD1-N 3.26Å; D88-R90 IonicContact OD1-NE 2.68Å; D88-R90 PolarHBondContact OD1-NE 3.37Å; D88-R90 IonicContact OD2-CZ 3.35Å; D88-R90 IonicContact OD2-NE 3.2Å; D88-R90 PolarHBondContact OD2-NE 2.84Å; D88-R90 VanDerWaalsContact OD2-NE 3.1Å; D88-R90 IonicContact OD2-NH2 3.25Å; D88-R90 PolarHBondContact OD2-NH2 2.95Å; R90-I105 HydrophobicContact CB-CG2 4.27Å; R90-E106 WeakPolarHBondContact CB-O 3.39Å; R90-E106 WeakPolarHBondContact CD-O 3.49Å; R90-E106 PolarHBondContact O-N 3.1Å; R90-N107 PolarHBondContact NH1-O 2.79Å; R90-D109 IonicContact CZ-OD2 2.65Å; R90-D109 VanDerWaalsContact CZ-OD2 3.31Å; R90-D109 IonicContact NH1-OD2 3.63Å; R90-D109 PolarHBondContact NH1-OD2 2.93Å; R90-D109 VanDerWaalsContact NH1-OD2 3.13Å; R90-D109 IonicContact NH2-OD2 3.35Å; R90-D109 PolarHBondContact NH2-OD2 2.8Å; R90-D112 IonicContact CZ-OD1 2.67Å; R90-D112 IonicContact CZ-OD2 2.95Å; R90-D112 IonicContact NH1-OD1 2.62Å; R90-D112 IonicContact NH1-OD2 3.29Å; R90-D112 PolarHBondContact NH1-OD2 2.95Å; R90-D112 IonicContact NH2-OD1 2.68Å; R90-D112 PolarHBondContact NH2-OD1 2.98Å; R90-D112 IonicContact NH2-OD2 3.1Å; R90-D112 PolarHBondContact NH2-OD2 3.3Å
91V97.9Very high94.7Very high3 Ų371.5 Ų71.52%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-83.9122.3-178.9-1720000109.6L78 Y79 K84 D88 P89 I103 K104 I105L78-V91 HydrophobicContact CB-CG1 4.34Å; L78-V91 HydrophobicContact CD1-CG1 4.45Å; Y79-V91 HydrophobicContact CD2-CG1 4.14Å; Y79-V91 HydrophobicContact CE2-CG1 4.04Å; K84-V91 VanDerWaalsContact CE-O 3.26Å; K84-V91 WeakPolarHBondContact CE-O 3.29Å; K84-V91 PolarHBondContact NZ-O 3.39Å; D88-V91 HydrophobicContact CB-CG2 3.95Å; D88-V91 PolarHBondContact O-N 3.29Å; P89-V91 VanDerWaalsContact C-N 3.26Å; P89-V91 PolarHBondContact O-N 2.7Å; V91-I103 HydrophobicContact CG1-CD1 4.24Å; V91-K104 WeakPolarHBondContact CA-O 3.25Å; V91-I105 HydrophobicContact CG2-CG1 4.23Å; V91-I105 HydrophobicContact CG2-CG2 4.32Å
92S97.8Very high95Very high30 Ų3071 Ų7121%0.2137%0.366CS..EExtended strand (participates in β ladder)trans-141.5149.7178.648.30000112.9I103 K104S92-I103 CarbonylContact O-C 3.54Å; S92-I103 WeakPolarHBondContact O-CA 3.36Å; S92-K104 PolarHBondContact N-O 3.39Å; S92-K104 PolarHBondContact O-N 2.67Å; S92-K104 WeakPolarHBondContact OG-CE 3.46Å; S92-K104 WeakPolarHBondContact OG-CG 3.19Å
93L97.7Very high95.2Very high55 Ų5563.6 Ų63.629%0.28833%0.331SS..EExtended strand (participates in β ladder)trans-72.9131.6174.5-173.562.3000110.3Y79 L96 F101 I103Y79-L93 HydrophobicContact CD1-CB 4.4Å; Y79-L93 HydrophobicContact CE1-CB 3.76Å; Y79-L93 PolarHBondContact OH-N 3.27Å; L93-L96 HydrophobicContact CD1-CB 4.28Å; L93-L96 HydrophobicContact CD2-CB 4.19Å; L93-F101 HydrophobicContact CD1-CD2 3.93Å; L93-F101 HydrophobicContact CD1-CE2 3.52Å; L93-I103 HydrophobicContact CD1-CG2 4.03Å
94V97.5Very high95.4Very high67 Ų6761.6 Ų61.641%0.40632%0.318SS..EExtended strand (participates in β ladder)trans-104.3-55.2175.6-177.70000110F57 T102 K104F57-V94 HydrophobicContact CD1-CG2 4.24Å; F57-V94 HydrophobicContact CE1-CG2 4.31Å; V94-T102 WeakPolarHBondContact CA-O 3.27Å; V94-T102 HydrophobicContact CB-CG2 4.13Å; V94-T102 WeakPolarHBondContact CB-O 3.44Å; V94-T102 PolarHBondContact N-O 2.64Å; V94-K104 HydrophobicContact CG2-CB 3.69Å; V94-K104 HydrophobicContact CG2-CD 3.89Å; V94-K104 HydrophobicContact CG2-CG 3.61Å
95T96.4Very high95.6Very high42 Ų4257.7 Ų57.726%0.25830%0.301SS..EExtended strand (participates in β ladder)trans-138.2135-176.6-55.90000109.9E100 F101 T102T95-E100 HydrophobicContact CG2-CB 4.28Å; T95-E100 HydrophobicContact CG2-CG 4.32Å; T95-F101 CarbonylContact O-C 3.58Å; T95-F101 WeakPolarHBondContact O-CA 3.15Å; T95-T102 PolarHBondContact N-O 3.13Å; T95-T102 PolarHBondContact O-N 2.79Å
96L94.9Very high95.7Very high56 Ų5655.2 Ų55.229%0.29330%0.295SS..EExtended strand (participates in β ladder)trans-140.9112.5166178.268.6000108.9T69 E82 L93 E100 F101T69-L96 HydrophobicContact CG2-CD1 3.69Å; E82-L96 HydrophobicContact CB-CD2 4.45Å; E82-L96 HydrophobicContact CG-CD2 3.45Å; E82-L96 VanDerWaalsContact CG-CD2 3.45Å; L93-L96 HydrophobicContact CD1-CB 4.28Å; L93-L96 HydrophobicContact CD2-CB 4.19Å; L96-E100 WeakPolarHBondContact CA-O 3.37Å; L96-F101 HydrophobicContact CB-CD2 4.32Å; L96-F101 HydrophobicContact CD1-CB 4.18Å; L96-F101 HydrophobicContact CD1-CD2 3.48Å; L96-F101 VanDerWaalsContact CD1-CD2 3.48Å; L96-F101 HydrophobicContact CD1-CE2 3.98Å; L96-F101 HydrophobicContact CD1-CG 3.98Å; L96-F101 HydrophobicContact CG-CD2 4.45Å
97N91.8Very high95.8Very high79 Ų7959.3 Ų59.342%0.42232%0.315SS..SBendtrans-144.9-163.3171.661.642.6000109.7Q62 E99 E100Q62-N97 PolarHBondContact NE2-O 3.22Å; N97-E99 VanDerWaalsContact C-N 3.33Å; N97-E99 WeakPolarHBondContact OD1-CA 3.47Å; N97-E99 PolarHBondContact OD1-N 2.81Å; N97-E100 PolarHBondContact N-O 3.13Å; N97-E100 PolarHBondContact OD1-N 2.56Å; N97-E100 PolarHBondContact OD1-O 3.28Å
98Q86.6Confident95.9Very high158 Ų15852.5 Ų52.574%0.73827%0.274SS*.SBendtrans-75-21.8179.3-70.7-172.9-20.200113.7Q62Q62-Q98 VanDerWaalsContact CB-O 3.28Å; Q62-Q98 WeakPolarHBondContact CB-O 3.49Å
99E88.9Confident95.9Very high150 Ų15053 Ų5370%0.70128%0.277SS*.SBendtrans-103.5-25.7-173.5-62.2178.9-178.400112.9E61 Q62 N97E61-E99 WeakPolarHBondContact CA-O 3.12Å; Q62-E99 PolarHBondContact N-O 2.93Å; Q62-E99 WeakPolarHBondContact O-CA 3.42Å; N97-E99 VanDerWaalsContact C-N 3.33Å; N97-E99 WeakPolarHBondContact OD1-CA 3.47Å; N97-E99 PolarHBondContact OD1-N 2.81Å
100E93.4Very high95.8Very high31 Ų3151.5 Ų51.515%0.14526%0.261CS..EExtended strand (participates in β ladder)trans-147.2134.3-170.5-174.6176-178.800112.4R59 C60 Q62 T95 L96 N97 T102R59-E100 WeakPolarHBondContact CD-OE1 2.95Å; R59-E100 HydrophobicContact CG-CG 4.26Å; R59-E100 WeakPolarHBondContact CG-OE1 3.32Å; R59-E100 VanDerWaalsContact CZ-CD 3.4Å; R59-E100 IonicContact CZ-OE1 3.47Å; R59-E100 VanDerWaalsContact CZ-OE1 3.29Å; R59-E100 IonicContact CZ-OE2 3.49Å; R59-E100 IonicContact NE-OE1 3.16Å; R59-E100 PolarHBondContact NE-OE1 2.72Å; R59-E100 IonicContact NH1-OE1 3.95Å; R59-E100 PolarHBondContact NH1-OE1 3.25Å; R59-E100 IonicContact NH1-OE2 2.84Å; R59-E100 PolarHBondContact NH1-OE2 3.14Å; R59-E100 IonicContact NH2-OE2 3.6Å; C60-E100 WeakPolarHBondContact O-CA 3.48Å; Q62-E100 PolarHBondContact NE2-O 2.95Å; T95-E100 HydrophobicContact CG2-CB 4.28Å; T95-E100 HydrophobicContact CG2-CG 4.32Å; L96-E100 WeakPolarHBondContact CA-O 3.37Å; N97-E100 PolarHBondContact N-O 3.13Å; N97-E100 PolarHBondContact OD1-N 2.56Å; N97-E100 PolarHBondContact OD1-O 3.28Å; E100-T102 VanDerWaalsContact CD-OG1 3.32Å; E100-T102 VanDerWaalsContact CG-OG1 3.23Å; E100-T102 WeakPolarHBondContact CG-OG1 3.34Å; E100-T102 PolarHBondContact OE1-OG1 2.98Å
101F94.9Very high95.6Very high0 Ų054.4 Ų54.40%028%0.284CS..EExtended strand (participates in β ladder)trans-127.6104.9170.9178.5-143.3000110C60 Q62 T69 W71 L93 T95 L96 I103C60-F101 HydrophobicContact CB-CB 4.46Å; C60-F101 VanDerWaalsContact CB-O 3.29Å; C60-F101 WeakPolarHBondContact CB-O 3Å; C60-F101 PolarHBondContact N-O 3.46Å; C60-F101 PolarHBondContact O-N 3.4Å; Q62-F101 VanDerWaalsContact CD-CB 3.49Å; Q62-F101 HydrophobicContact CG-CB 4.07Å; T69-F101 HydrophobicContact CG2-CB 4.33Å; T69-F101 HydrophobicContact CG2-CD1 3.62Å; T69-F101 HydrophobicContact CG2-CD2 4.36Å; T69-F101 HydrophobicContact CG2-CE1 3.8Å; T69-F101 HydrophobicContact CG2-CG 3.89Å; T69-F101 HydrophobicContact CG2-CZ 4.26Å; T69-F101 WeakPolarHBondContact OG1-CD1 3.47Å; W71-F101 HydrophobicContact CB-CE1 4.16Å; W71-F101 AromaticContact CD1-CD1 3.35Å; W71-F101 AromaticContact CD1-CE1 3.21Å; W71-F101 AromaticContact CD1-CG 3.93Å; W71-F101 AromaticContact CD1-CZ 3.66Å; W71-F101 HydrophobicContact CG-CD1 4.26Å; W71-F101 AromaticContact CG-CE1 3.89Å; W71-F101 HydrophobicContact CG-CE1 3.89Å; W71-F101 HydrophobicContact CG-CZ 4.44Å; W71-F101 AromaticContact NE1-CD1 3.65Å; W71-F101 AromaticContact NE1-CG 4Å; W71-F101 PolarHBondContact NE1-O 3.38Å; L93-F101 HydrophobicContact CD1-CD2 3.93Å; L93-F101 HydrophobicContact CD1-CE2 3.52Å; T95-F101 CarbonylContact O-C 3.58Å; T95-F101 WeakPolarHBondContact O-CA 3.15Å; L96-F101 HydrophobicContact CB-CD2 4.32Å; L96-F101 HydrophobicContact CD1-CB 4.18Å; L96-F101 HydrophobicContact CD1-CD2 3.48Å; L96-F101 VanDerWaalsContact CD1-CD2 3.48Å; L96-F101 HydrophobicContact CD1-CE2 3.98Å; L96-F101 HydrophobicContact CD1-CG 3.98Å; L96-F101 HydrophobicContact CG-CD2 4.45Å; F101-I103 HydrophobicContact CE2-CG2 4.23Å; F101-I103 HydrophobicContact CZ-CG2 4.46Å
102T97.1Very high95.6Very high6 Ų654.6 Ų54.64%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-124125.3-172.5-610000110.5L58 R59 V94 T95 E100L58-T102 VanDerWaalsContact O-CA 3.29Å; L58-T102 WeakPolarHBondContact O-CA 3.28Å; R59-T102 WeakPolarHBondContact CA-OG1 3.23Å; R59-T102 HydrophobicContact CB-CG2 4.28Å; V94-T102 WeakPolarHBondContact CA-O 3.27Å; V94-T102 HydrophobicContact CB-CG2 4.13Å; V94-T102 WeakPolarHBondContact CB-O 3.44Å; V94-T102 PolarHBondContact N-O 2.64Å; T95-T102 PolarHBondContact N-O 3.13Å; T95-T102 PolarHBondContact O-N 2.79Å; E100-T102 VanDerWaalsContact CD-OG1 3.32Å; E100-T102 VanDerWaalsContact CG-OG1 3.23Å; E100-T102 WeakPolarHBondContact CG-OG1 3.34Å; E100-T102 PolarHBondContact OE1-OG1 2.98Å
103I97.9Very high95.5Very high0 Ų055.2 Ų55.20%028%0.284CS..EExtended strand (participates in β ladder)trans-112.8158.116964.2170.5000109.3L58 W71 L78 Y79 V91 S92 L93 F101L58-I103 HydrophobicContact CB-CG1 3.85Å; L58-I103 HydrophobicContact CD1-CD1 3.98Å; L58-I103 HydrophobicContact CD1-CG1 4.06Å; L58-I103 HydrophobicContact CG-CG1 4.42Å; L58-I103 PolarHBondContact N-O 3.2Å; L58-I103 PolarHBondContact O-N 3.46Å; L58-I103 VanDerWaalsContact O-N 3.16Å; W71-I103 HydrophobicContact CB-CD1 3.58Å; W71-I103 HydrophobicContact CB-CG1 4.34Å; W71-I103 HydrophobicContact CD2-CD1 4.25Å; W71-I103 HydrophobicContact CD2-CG1 4.32Å; W71-I103 HydrophobicContact CG-CD1 3.66Å; W71-I103 HydrophobicContact CG-CG1 3.89Å; W71-I103 HydrophobicContact CG-CG2 4.42Å; L78-I103 HydrophobicContact CB-CD1 4.21Å; L78-I103 HydrophobicContact CD1-CD1 3.66Å; Y79-I103 HydrophobicContact CD2-CG2 3.91Å; Y79-I103 HydrophobicContact CG-CG2 4.18Å; V91-I103 HydrophobicContact CG1-CD1 4.24Å; S92-I103 CarbonylContact O-C 3.54Å; S92-I103 WeakPolarHBondContact O-CA 3.36Å; L93-I103 HydrophobicContact CD1-CG2 4.03Å; F101-I103 HydrophobicContact CE2-CG2 4.23Å; F101-I103 HydrophobicContact CZ-CG2 4.46Å
104K98Very high95.4Very high50 Ų5052.8 Ų52.822%0.21727%0.272CS..EExtended strand (participates in β ladder)trans-120.5153.3169.867.1176.3177.6168.60111.1T55 V56 F57 V91 S92 V94 E106T55-K104 HydrophobicContact CG2-CB 3.9Å; T55-K104 HydrophobicContact CG2-CD 4.11Å; T55-K104 HydrophobicContact CG2-CG 4.42Å; V56-K104 CarbonylContact O-C 3.55Å; V56-K104 WeakPolarHBondContact O-CA 2.95Å; F57-K104 HydrophobicContact CD1-CB 3.86Å; F57-K104 HydrophobicContact CE1-CB 3.96Å; F57-K104 HydrophobicContact CE1-CD 4.13Å; V91-K104 WeakPolarHBondContact CA-O 3.25Å; S92-K104 PolarHBondContact N-O 3.39Å; S92-K104 PolarHBondContact O-N 2.67Å; S92-K104 WeakPolarHBondContact OG-CE 3.46Å; S92-K104 WeakPolarHBondContact OG-CG 3.19Å; V94-K104 HydrophobicContact CG2-CB 3.69Å; V94-K104 HydrophobicContact CG2-CD 3.89Å; V94-K104 HydrophobicContact CG2-CG 3.61Å; K104-E106 HydrophobicContact CD-CG 4.13Å; K104-E106 WeakPolarHBondContact CE-OE1 3.48Å; K104-E106 HydrophobicContact CG-CG 4.5Å; K104-E106 IonicContact NZ-OE1 2.75Å; K104-E106 PolarHBondContact NZ-OE1 2.87Å
105I98.4Very high95.3Very high2 Ų254.1 Ų54.11%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-122.5111.6168.9-46.5178.1000106.2T55 V56 L58 R90 V91 V108 Y116T55-I105 VanDerWaalsContact CA-O 3.31Å; T55-I105 WeakPolarHBondContact CA-O 3.19Å; V56-I105 HydrophobicContact CG1-CB 3.77Å; V56-I105 HydrophobicContact CG1-CD1 4.23Å; V56-I105 HydrophobicContact CG1-CG1 4.1Å; V56-I105 PolarHBondContact N-O 2.82Å; V56-I105 PolarHBondContact O-N 3.14Å; L58-I105 HydrophobicContact CD1-CD1 4.08Å; R90-I105 HydrophobicContact CB-CG2 4.27Å; V91-I105 HydrophobicContact CG2-CG1 4.23Å; V91-I105 HydrophobicContact CG2-CG2 4.32Å; I105-V108 WeakPolarHBondContact O-CG2 3.31Å; I105-Y116 HydrophobicContact CD1-CE1 3.62Å
106E98.3Very high95.2Very high71 Ų7152.2 Ų52.233%0.33226%0.262SS..SBendtrans-83.6155.9178.7-62.1-177149.100111.3T55 R90 K104 V108T55-E106 HydrophobicContact CG2-CG 4.02Å; R90-E106 WeakPolarHBondContact CB-O 3.39Å; R90-E106 WeakPolarHBondContact CD-O 3.49Å; R90-E106 PolarHBondContact O-N 3.1Å; K104-E106 HydrophobicContact CD-CG 4.13Å; K104-E106 WeakPolarHBondContact CE-OE1 3.48Å; K104-E106 HydrophobicContact CG-CG 4.5Å; K104-E106 IonicContact NZ-OE1 2.75Å; K104-E106 PolarHBondContact NZ-OE1 2.87Å; E106-V108 PolarHBondContact O-N 2.86Å
107N97.3Very high95.2Very high108 Ų10850.3 Ų50.358%0.57825%0.253SS*.SBendtrans49.655.9178-59-39.8000112.1E54 R90 D109E54-N107 PolarHBondContact O-N 2.03Å; R90-N107 PolarHBondContact NH1-O 2.79Å; N107-D109 PolarHBondContact O-N 2.86Å
108V97.6Very high95.3Very high2 Ų246.5 Ų46.51%0.01223%0.233CC..  trans-57.4135.5-176.7172.20000110.7V50 Q52 G53 E54 V56 I105 E106 D112 V135V50-V108 HydrophobicContact CG1-CB 4.37Å; V50-V108 HydrophobicContact CG1-CG1 3.81Å; V50-V108 HydrophobicContact CG1-CG2 4.33Å; V50-V108 HydrophobicContact CG2-CG2 4.31Å; Q52-V108 WeakPolarHBondContact CG-O 3.48Å; G53-V108 PolarHBondContact N-O 2.84Å; E54-V108 WeakPolarHBondContact O-CG2 3.33Å; E54-V108 PolarHBondContact O-N 3.36Å; V56-V108 HydrophobicContact CB-CG2 4.04Å; V56-V108 HydrophobicContact CG1-CG2 3.66Å; I105-V108 WeakPolarHBondContact O-CG2 3.31Å; E106-V108 PolarHBondContact O-N 2.86Å; V108-D112 WeakPolarHBondContact CA-OD2 3.47Å; V108-D112 HydrophobicContact CG1-CB 4.09Å; V108-V135 HydrophobicContact CG1-CG1 4.19Å; V108-V135 HydrophobicContact CG1-CG2 3.62Å
109D96Very high95.6Very high47 Ų4739 Ų3925%0.25120%0.198SC..  trans-120.5173176.171.444.8000111.3R90 N107 T111 D112R90-D109 IonicContact CZ-OD2 2.65Å; R90-D109 VanDerWaalsContact CZ-OD2 3.31Å; R90-D109 IonicContact NH1-OD2 3.63Å; R90-D109 PolarHBondContact NH1-OD2 2.93Å; R90-D109 VanDerWaalsContact NH1-OD2 3.13Å; R90-D109 IonicContact NH2-OD2 3.35Å; R90-D109 PolarHBondContact NH2-OD2 2.8Å; N107-D109 PolarHBondContact O-N 2.86Å; D109-T111 PolarHBondContact O-N 2.68Å; D109-T111 VanDerWaalsContact O-N 3.14Å; D109-T111 VanDerWaalsContact OD1-CA 3.29Å; D109-T111 WeakPolarHBondContact OD1-CA 3.21Å; D109-T111 VanDerWaalsContact OD1-CB 3.25Å; D109-T111 WeakPolarHBondContact OD1-CB 3.35Å; D109-T111 PolarHBondContact OD1-N 3.4Å; D109-T111 PolarHBondContact OD1-OG1 3.48Å; D109-D112 PolarHBondContact N-OD2 2.85Å; D109-D112 WeakPolarHBondContact O-CB 3.42Å; D109-D112 PolarHBondContact O-N 2.78Å; D109-D112 VanDerWaalsContact O-N 3.13Å; D109-D112 PolarHBondContact OD1-N 3.06Å
110M94.8Very high95.7Very high78 Ų7832.3 Ų32.338%0.38417%0.167SC..G310 helixtrans-61-21.5-178.6-73.6-56.9-59.700114.6V135 V137 K165M110-V135 HydrophobicContact SD-CB 4.17Å; M110-V135 HydrophobicContact SD-CG1 3.83Å; M110-V137 HydrophobicContact SD-CG2 3.73Å; M110-K165 HydrophobicContact CE-CD 3.45Å; M110-K165 VanDerWaalsContact CE-CD 3.45Å; M110-K165 HydrophobicContact SD-CD 4.26Å
111T95.3Very high95.4Very high107 Ų10733.4 Ų33.466%0.65617%0.172SC*.G310 helixtrans-82.5-18.3179.974.40000112.7D109 E113D109-T111 PolarHBondContact O-N 2.68Å; D109-T111 VanDerWaalsContact O-N 3.14Å; D109-T111 VanDerWaalsContact OD1-CA 3.29Å; D109-T111 WeakPolarHBondContact OD1-CA 3.21Å; D109-T111 VanDerWaalsContact OD1-CB 3.25Å; D109-T111 WeakPolarHBondContact OD1-CB 3.35Å; D109-T111 PolarHBondContact OD1-N 3.4Å; D109-T111 PolarHBondContact OD1-OG1 3.48Å; T111-E113 PolarHBondContact O-N 2.88Å
112D96.3Very high94.8Very high8 Ų834 Ų344%0.04318%0.176CC..G310 helixtrans-75.6-10.1174.5-58.1-46.3000112.4R90 V108 D109 G114 Y116R90-D112 IonicContact CZ-OD1 2.67Å; R90-D112 IonicContact CZ-OD2 2.95Å; R90-D112 IonicContact NH1-OD1 2.62Å; R90-D112 IonicContact NH1-OD2 3.29Å; R90-D112 PolarHBondContact NH1-OD2 2.95Å; R90-D112 IonicContact NH2-OD1 2.68Å; R90-D112 PolarHBondContact NH2-OD1 2.98Å; R90-D112 IonicContact NH2-OD2 3.1Å; R90-D112 PolarHBondContact NH2-OD2 3.3Å; V108-D112 WeakPolarHBondContact CA-OD2 3.47Å; V108-D112 HydrophobicContact CG1-CB 4.09Å; D109-D112 PolarHBondContact N-OD2 2.85Å; D109-D112 WeakPolarHBondContact O-CB 3.42Å; D109-D112 PolarHBondContact O-N 2.78Å; D109-D112 VanDerWaalsContact O-N 3.13Å; D109-D112 PolarHBondContact OD1-N 3.06Å; D112-G114 PolarHBondContact O-N 2.87Å; D112-Y116 WeakPolarHBondContact O-CE2 3.48Å; D112-Y116 PolarHBondContact O-OH 2.83Å
113E96.8Very high94Very high42 Ų4238.3 Ų38.320%0.19621%0.207CC..  trans-63.9132.5176.3-174.4164.9129.700112R74 T111 V133 V135 K165R74-E113 PolarHBondContact NH2-O 2.8Å; R74-E113 VanDerWaalsContact NH2-O 3.08Å; T111-E113 PolarHBondContact O-N 2.88Å; E113-V133 WeakPolarHBondContact CG-O 3.41Å; E113-V135 HydrophobicContact CB-CB 4.46Å; E113-V135 HydrophobicContact CB-CG2 3.96Å; E113-V135 PolarHBondContact OE2-N 2.83Å; E113-V135 VanDerWaalsContact OE2-N 3.1Å; E113-K165 IonicContact OE1-NZ 2.83Å; E113-K165 PolarHBondContact OE1-NZ 3.05Å; E113-K165 IonicContact OE2-NZ 3.37Å; E113-K165 PolarHBondContact OE2-NZ 3.24Å
114G95.1Very high93.1Very high4 Ų442.9 Ų42.94%0.04124%0.238CC..EExtended strand (participates in β ladder)trans146.2-165174.500000114D112 Y116 H132 V133D112-G114 PolarHBondContact O-N 2.87Å; G114-Y116 WeakPolarHBondContact O-CD2 3.29Å; G114-H132 WeakPolarHBondContact O-CA 3.39Å; G114-V133 PolarHBondContact N-O 2.82Å; G114-V133 VanDerWaalsContact N-O 3.14Å; G114-V133 PolarHBondContact O-N 3.16Å
115Q94.9Very high92.3Very high96 Ų9646.6 Ų46.645%0.44925%0.251SS..EExtended strand (participates in β ladder)trans-87.8126.5-177.2-168.2178.817.800111.2R74 V117 S130 V131R74-Q115 PolarHBondContact N-O 2.87Å; R74-Q115 VanDerWaalsContact N-O 3.08Å; Q115-V117 HydrophobicContact CG-CG2 4.36Å; Q115-S130 PolarHBondContact NE2-OG 2.65Å; Q115-V131 WeakPolarHBondContact CA-O 3.5Å
116Y95.8Very high91.6Very high1 Ų148.8 Ų48.80%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-109.4142.8170.4-66.1-100.7000109.2L58 L72 N73 L78 I105 D112 G114 S130 V131 V133L58-Y116 HydrophobicContact CD1-CD1 3.42Å; L58-Y116 VanDerWaalsContact CD1-CD1 3.42Å; L58-Y116 HydrophobicContact CD1-CD2 4.47Å; L58-Y116 HydrophobicContact CD1-CE1 3.94Å; L58-Y116 HydrophobicContact CD1-CG 3.73Å; L58-Y116 HydrophobicContact CD2-CG 4.41Å; L72-Y116 CarbonylContact O-C 3.52Å; L72-Y116 VanDerWaalsContact O-CA 3.26Å; L72-Y116 WeakPolarHBondContact O-CA 3.17Å; N73-Y116 HydrophobicContact CB-CD1 3.92Å; N73-Y116 HydrophobicContact CB-CE1 3.65Å; N73-Y116 PolarHBondContact ND2-OH 2.87Å; L78-Y116 HydrophobicContact CD1-CD1 3.93Å; L78-Y116 HydrophobicContact CD1-CE1 3.9Å; I105-Y116 HydrophobicContact CD1-CE1 3.62Å; D112-Y116 WeakPolarHBondContact O-CE2 3.48Å; D112-Y116 PolarHBondContact O-OH 2.83Å; G114-Y116 WeakPolarHBondContact O-CD2 3.29Å; Y116-S130 CarbonylContact O-C 3.5Å; Y116-S130 VanDerWaalsContact O-CA 3.32Å; Y116-S130 WeakPolarHBondContact O-CA 3.23Å; Y116-V131 PolarHBondContact N-O 2.87Å; Y116-V131 PolarHBondContact O-N 3.03Å; Y116-V133 HydrophobicContact CD2-CB 4.06Å; Y116-V133 HydrophobicContact CD2-CG2 3.48Å; Y116-V133 VanDerWaalsContact CD2-CG2 3.48Å; Y116-V133 HydrophobicContact CE2-CB 3.8Å; Y116-V133 HydrophobicContact CE2-CG2 3.58Å; Y116-V133 HydrophobicContact CG-CG2 4.43Å
117V94.4Very high91Very high16 Ų1649.8 Ų49.810%0.09727%0.266CS..EExtended strand (participates in β ladder)trans-127123.8-175.9-178.20000109.5W71 L72 Q115 T128 T129W71-V117 CarbonylContact C-O 3.57Å; W71-V117 WeakPolarHBondContact CA-O 3.45Å; W71-V117 VanDerWaalsContact CE3-C 3.46Å; L72-V117 HydrophobicContact CB-CB 4.39Å; L72-V117 WeakPolarHBondContact CD1-O 3.43Å; L72-V117 PolarHBondContact N-O 3.08Å; L72-V117 PolarHBondContact O-N 3.44Å; Q115-V117 HydrophobicContact CG-CG2 4.36Å; V117-T128 HydrophobicContact CG1-CG2 4.36Å; V117-T129 CarbonylContact C-O 3.53Å; V117-T129 WeakPolarHBondContact CA-O 3.29Å
118C93.8Very high90.6Very high0 Ų045.7 Ų45.70%025%0.245CC..EExtended strand (participates in β ladder)trans-89.7111.9163178.10000108.5C60 A70 W71 V120 T128 T129C60-C118 HydrophobicContact CB-CB 3.56Å; C60-C118 WeakPolarHBondContact CB-SG 3.44Å; C60-C118 WeakPolarHBondContact SG-CB 3.25Å; C60-C118 CovalentContact SG-SG 2.03Å; C60-C118 PolarHBondContact SG-SG 2.98Å; A70-C118 CarbonylContact O-C 3.54Å; A70-C118 WeakPolarHBondContact O-CA 3.29Å; W71-C118 HydrophobicContact CD2-CB 4.1Å; W71-C118 HydrophobicContact CE3-CB 4.03Å; W71-C118 HydrophobicContact CH2-CB 3.77Å; W71-C118 HydrophobicContact CZ2-CB 3.84Å; W71-C118 HydrophobicContact CZ3-CB 3.87Å; C118-V120 VanDerWaalsContact SG-CG2 3.6Å; C118-T128 CarbonylContact O-C 3.57Å; C118-T128 WeakPolarHBondContact O-CA 3.38Å; C118-T129 PolarHBondContact N-O 2.9Å; C118-T129 PolarHBondContact O-N 3.48Å
119A92.1Very high90.2Very high1 Ų146.4 Ų46.41%0.00825%0.25CC..EExtended strand (participates in β ladder)trans-102.2123.2175.600000109.7L24 T69 A70 L72 T128L24-A119 HydrophobicContact CD2-CB 4.16Å; T69-A119 CarbonylContact C-O 3.43Å; T69-A119 WeakPolarHBondContact CA-O 3.45Å; A70-A119 PolarHBondContact N-O 2.87Å; A70-A119 PolarHBondContact O-N 3.37Å; L72-A119 HydrophobicContact CD1-CB 3.81Å; A119-T128 HydrophobicContact CB-CG2 4.34Å
120V90.6Very high90Very high9 Ų944.9 Ų44.96%0.05524%0.243CC..EExtended strand (participates in β ladder)trans-123.3126.9-175.1-176.40000109.7V66 C118 T122 P126 R127V66-V120 HydrophobicContact CB-CG1 4.12Å; V66-V120 HydrophobicContact CG1-CG1 3.58Å; V66-V120 HydrophobicContact CG2-CG1 3.42Å; V66-V120 VanDerWaalsContact CG2-CG1 3.42Å; C118-V120 VanDerWaalsContact SG-CG2 3.6Å; V120-T122 HydrophobicContact CG1-CG2 4.36Å; V120-P126 CarbonylContact O-C 3.57Å; V120-P126 WeakPolarHBondContact O-CA 3.4Å; V120-R127 PolarHBondContact N-O 3Å; V120-R127 PolarHBondContact O-N 2.77Å
121Q87.8Confident90Very high53 Ų5341.3 Ų41.325%0.24823%0.225CC..EExtended strand (participates in β ladder)trans-97.4110.5170.7-175.462.156.300110.1L24 T67 H68L24-Q121 HydrophobicContact CD1-CB 4.01Å; L24-Q121 HydrophobicContact CD2-CB 3.94Å; L24-Q121 HydrophobicContact CG-CB 4.18Å; T67-Q121 PolarHBondContact N-O 2.82Å; T67-Q121 WeakPolarHBondContact OG1-CG 3.41Å; T67-Q121 PolarHBondContact OG1-O 2.72Å; H68-Q121 HydrophobicContact CB-CB 4.12Å; H68-Q121 PolarHBondContact O-N 3.44Å
122T82.8Confident90Very high14 Ų1439.3 Ų39.39%0.08621%0.208CC..EExtended strand (participates in β ladder)trans-89.6173.2170.672.50000111.2V120 S124 R125V120-T122 HydrophobicContact CG1-CG2 4.36Å; T122-S124 PolarHBondContact O-N 3.1Å; T122-S124 PolarHBondContact OG1-N 2.83Å; T122-S124 PolarHBondContact OG1-OG 2.98Å; T122-R125 PolarHBondContact N-O 2.62Å; T122-R125 PolarHBondContact OG1-N 2.87Å; T122-R125 VanDerWaalsContact OG1-N 3.11Å; T122-R125 PolarHBondContact OG1-O 3.5Å
123S79.6Confident90.1Very high96 Ų9639 Ų3967%0.67121%0.206SC*.SBendtrans-62-21.4174.858.70000114
124S79Confident90Very high95 Ų9539.5 Ų39.566%0.66421%0.21SC*.SBendtrans-107.2-47.5-177.161.20000113.4T122T122-S124 PolarHBondContact O-N 3.1Å; T122-S124 PolarHBondContact OG1-N 2.83Å; T122-S124 PolarHBondContact OG1-OG 2.98Å
125R81.3Confident90.1Very high129 Ų12939.3 Ų39.349%0.48721%0.208SC..  trans-153.5152.9-176.960.5176.8177-1146113.9D41 T122D41-R125 IonicContact OD2-CZ 3.31Å; D41-R125 IonicContact OD2-NE 3.13Å; D41-R125 PolarHBondContact OD2-NE 3.42Å; D41-R125 IonicContact OD2-NH2 2.95Å; D41-R125 PolarHBondContact OD2-NH2 3.25Å; T122-R125 PolarHBondContact N-O 2.62Å; T122-R125 PolarHBondContact OG1-N 2.87Å; T122-R125 VanDerWaalsContact OG1-N 3.11Å; T122-R125 PolarHBondContact OG1-O 3.5Å
126P83.9Confident90.2Very high48 Ų4836.4 Ų36.431%0.31220%0.195SC..EExtended strand (participates in β ladder)trans-68.1146.7167.528.8-32.9000110.8V120V120-P126 CarbonylContact O-C 3.57Å; V120-P126 WeakPolarHBondContact O-CA 3.4Å
127R85.8Confident90.3Very high91 Ų9137.8 Ų37.834%0.34320%0.203SC..EExtended strand (participates in β ladder)trans-131.6144.5174.5-64-179.768.9-169.11108.8D41 V120D41-R127 HydrophobicContact CB-CG 4.3Å; V120-R127 PolarHBondContact N-O 3Å; V120-R127 PolarHBondContact O-N 2.77Å
128T88.6Confident90.4Very high23 Ų2339.1 Ų39.114%0.14121%0.212CC..EExtended strand (participates in β ladder)trans-125.1139.217268.30000110A28 D41 N42 K43 V117 C118 A119A28-T128 HydrophobicContact CB-CG2 4.29Å; D41-T128 PolarHBondContact O-N 2.76Å; N42-T128 WeakPolarHBondContact CA-O 3.31Å; N42-T128 PolarHBondContact OD1-OG1 2.65Å; K43-T128 PolarHBondContact N-O 3.2Å; V117-T128 HydrophobicContact CG1-CG2 4.36Å; C118-T128 CarbonylContact O-C 3.57Å; C118-T128 WeakPolarHBondContact O-CA 3.38Å; A119-T128 HydrophobicContact CB-CG2 4.34Å
129T89.9Confident90.6Very high17 Ų1739.6 Ų39.610%0.10422%0.215CC..EExtended strand (participates in β ladder)trans-121.2121.6171-57.40000107.5K43 M45 V117 C118K43-T129 HydrophobicContact CB-CG2 4.2Å; K43-T129 HydrophobicContact CD-CG2 4.41Å; K43-T129 HydrophobicContact CG-CG2 4.35Å; K43-T129 CarbonylContact O-C 3.5Å; K43-T129 VanDerWaalsContact O-CA 3.23Å; K43-T129 WeakPolarHBondContact O-CA 3.28Å; M45-T129 HydrophobicContact CG-CG2 3.42Å; M45-T129 VanDerWaalsContact CG-CG2 3.42Å; M45-T129 HydrophobicContact SD-CG2 3.44Å; M45-T129 WeakPolarHBondContact SD-CG2 3.48Å; V117-T129 CarbonylContact C-O 3.53Å; V117-T129 WeakPolarHBondContact CA-O 3.29Å; C118-T129 PolarHBondContact N-O 2.9Å; C118-T129 PolarHBondContact O-N 3.48Å
130S91.8Very high90.9Very high15 Ų1545.9 Ų45.911%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-108.5143.5178.473.10000111.6K43 M45 Q115 Y116K43-S130 PolarHBondContact O-N 3.03Å; M45-S130 PolarHBondContact N-O 3.35Å; Q115-S130 PolarHBondContact NE2-OG 2.65Å; Y116-S130 CarbonylContact O-C 3.5Å; Y116-S130 VanDerWaalsContact O-CA 3.32Å; Y116-S130 WeakPolarHBondContact O-CA 3.23Å
131V94.5Very high91.3Very high2 Ų245.9 Ų45.91%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-135.1139177.362.30000108.7M45 D46 I48 L58 W71 Q115 Y116M45-V131 HydrophobicContact CB-CB 4.1Å; M45-V131 HydrophobicContact CB-CG2 4.19Å; M45-V131 HydrophobicContact SD-CB 4.45Å; D46-V131 WeakPolarHBondContact O-CG2 3.5Å; I48-V131 HydrophobicContact CB-CG2 4.44Å; I48-V131 HydrophobicContact CD1-CG2 3.64Å; I48-V131 HydrophobicContact CG1-CG2 3.68Å; L58-V131 HydrophobicContact CD2-CG1 4.03Å; W71-V131 HydrophobicContact CH2-CG1 4.08Å; W71-V131 HydrophobicContact CZ3-CG1 4.08Å; Q115-V131 WeakPolarHBondContact CA-O 3.5Å; Y116-V131 PolarHBondContact N-O 2.87Å; Y116-V131 PolarHBondContact O-N 3.03Å
132H95.8Very high91.8Very high66 Ų6648.2 Ų48.231%0.30626%0.255SS..EExtended strand (participates in β ladder)trans-98.1123.8173.4-15186.5000109.2N47 I48 G114N47-H132 CarbonylContact C-O 3.59Å; N47-H132 VanDerWaalsContact CA-O 3.28Å; N47-H132 WeakPolarHBondContact CA-O 3.22Å; N47-H132 VanDerWaalsContact OD1-CB 3.27Å; N47-H132 WeakPolarHBondContact OD1-CB 3.33Å; I48-H132 PolarHBondContact N-O 3.26Å; G114-H132 WeakPolarHBondContact O-CA 3.39Å
133V96.9Very high92.5Very high0 Ų050.8 Ų50.80%027%0.268CS..EExtended strand (participates in β ladder)trans-89.9124.7170.7177.20000107.6I48 V50 V56 L58 E113 G114 Y116 V135I48-V133 CarbonylContact O-C 3.36Å; I48-V133 VanDerWaalsContact O-CA 3.31Å; I48-V133 WeakPolarHBondContact O-CA 3.17Å; V50-V133 HydrophobicContact CG1-CG1 3.86Å; V56-V133 HydrophobicContact CG2-CG1 4.39Å; V56-V133 HydrophobicContact CG2-CG2 4.32Å; L58-V133 HydrophobicContact CD2-CG2 3.69Å; E113-V133 WeakPolarHBondContact CG-O 3.41Å; G114-V133 PolarHBondContact N-O 2.82Å; G114-V133 VanDerWaalsContact N-O 3.14Å; G114-V133 PolarHBondContact O-N 3.16Å; Y116-V133 HydrophobicContact CD2-CB 4.06Å; Y116-V133 HydrophobicContact CD2-CG2 3.48Å; Y116-V133 VanDerWaalsContact CD2-CG2 3.48Å; Y116-V133 HydrophobicContact CE2-CB 3.8Å; Y116-V133 HydrophobicContact CE2-CG2 3.58Å; Y116-V133 HydrophobicContact CG-CG2 4.43Å; V133-V135 HydrophobicContact CG1-CG2 4.45Å
134L96.4Very high93.4Very high53 Ų5347.8 Ų47.828%0.27724%0.243SC..EExtended strand (participates in β ladder)trans-107.3124.1174.4-65.5173.2000108.9N47 I48 T49 V50N47-L134 HydrophobicContact CB-CD1 3.91Å; N47-L134 HydrophobicContact CB-CG 4.35Å; I48-L134 PolarHBondContact O-N 2.84Å; T49-L134 WeakPolarHBondContact CA-O 3.19Å; T49-L134 HydrophobicContact CG2-CB 4.37Å; V50-L134 PolarHBondContact N-O 3.26Å
135V97.3Very high94.3Very high1 Ų144.5 Ų44.51%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-97.8126.8179-176.60000108.9V50 Q52 V108 M110 E113 V133 K165V50-V135 HydrophobicContact CG1-CG2 4.37Å; V50-V135 WeakPolarHBondContact O-CA 3.35Å; Q52-V135 HydrophobicContact CB-CG1 4.22Å; V108-V135 HydrophobicContact CG1-CG1 4.19Å; V108-V135 HydrophobicContact CG1-CG2 3.62Å; M110-V135 HydrophobicContact SD-CB 4.17Å; M110-V135 HydrophobicContact SD-CG1 3.83Å; E113-V135 HydrophobicContact CB-CB 4.46Å; E113-V135 HydrophobicContact CB-CG2 3.96Å; E113-V135 PolarHBondContact OE2-N 2.83Å; E113-V135 VanDerWaalsContact OE2-N 3.1Å; V133-V135 HydrophobicContact CG1-CG2 4.45Å; V135-K165 WeakPolarHBondContact O-CD 3.04Å
136Q97.1Very high95.1Very high35 Ų3548.7 Ų48.716%0.16424%0.236CC..EExtended strand (participates in β ladder)trans-111.9144.5178.3-69.5-179.1-3800111.1T49 V50 R51 Q52 K165 D208 I209T49-Q136 HydrophobicContact CG2-CG 3.59Å; V50-Q136 PolarHBondContact O-N 3.1Å; R51-Q136 CarbonylContact C-O 3.51Å; R51-Q136 WeakPolarHBondContact CA-O 3.41Å; Q52-Q136 PolarHBondContact N-O 3.47Å; Q136-K165 CarbonylContact C-O 3.54Å; Q136-K165 VanDerWaalsContact CA-O 3.24Å; Q136-K165 WeakPolarHBondContact CA-O 3.47Å; Q136-K165 WeakPolarHBondContact CB-O 2.91Å; Q136-D208 PolarHBondContact NE2-OD2 2.92Å; Q136-D208 VanDerWaalsContact NE2-OD2 3.08Å; Q136-I209 HydrophobicContact CB-CD1 4.08Å; Q136-I209 HydrophobicContact CB-CG1 4.11Å; Q136-I209 HydrophobicContact CG-CD1 4.17Å
137V97.1Very high95.8Very high29 Ų2951.7 Ų51.718%0.17625%0.25CC..EExtended strand (participates in β ladder)trans-125.2121.8179.8-174.20000107Q52 M110 K165 N207Q52-V137 HydrophobicContact CB-CG2 4.19Å; M110-V137 HydrophobicContact SD-CG2 3.73Å; V137-K165 HydrophobicContact CB-CB 4.12Å; V137-K165 HydrophobicContact CG2-CB 4.11Å; V137-K165 PolarHBondContact N-O 2.79Å; V137-K165 PolarHBondContact O-N 2.95Å; V137-K165 VanDerWaalsContact O-O 3.14Å; V137-N207 PolarHBondContact O-ND2 2.85Å
138P96.5Very high96.4Very high45 Ų4549.8 Ų49.829%0.29225%0.245SC..EExtended strand (participates in β ladder)trans-53.6153.7171.9-25.234.4000111.9I209 D210P138-I209 HydrophobicContact CG-CG2 4.14Å; P138-D210 HydrophobicContact CB-CB 4.11Å
139P98.1Very high96.8Very high10 Ų1053.1 Ų53.17%0.06527%0.266CS..EExtended strand (participates in β ladder)trans-67.1146.7177.233.3-30.7000109.4S163 P168 A205 N207 D210 D212P139-S163 CarbonylContact C-O 3.58Å; P139-S163 WeakPolarHBondContact CA-O 3.34Å; P139-P168 HydrophobicContact CB-CB 3.87Å; P139-P168 HydrophobicContact CB-CG 4.5Å; P139-A205 HydrophobicContact CB-CB 4.26Å; P139-A205 WeakPolarHBondContact CG-O 3.35Å; P139-N207 WeakPolarHBondContact CD-OD1 3.47Å; P139-D210 HydrophobicContact CG-CB 4.49Å; P139-D210 WeakPolarHBondContact CG-O 3.45Å; P139-D212 HydrophobicContact CG-CB 4.49Å
140K98Very high97.2Very high133 Ų13353.7 Ų53.758%0.57827%0.269SS*.EExtended strand (participates in β ladder)trans-146.9122.4174.7-175.4175.2-176.9176.70109.8I142 A162 S163 D212K140-I142 PolarHBondContact O-N 2.79Å; K140-A162 CarbonylContact O-C 3.51Å; K140-A162 WeakPolarHBondContact O-CA 3.38Å; K140-A162 WeakPolarHBondContact O-CB 3.33Å; K140-S163 PolarHBondContact N-O 2.89Å; K140-S163 PolarHBondContact O-N 2.9Å; K140-S163 PolarHBondContact O-OG 3.2Å; K140-D212 WeakPolarHBondContact CA-OD2 3.4Å
141I98.6Very high97.5Very high9 Ų956.4 Ų56.45%0.04628%0.282CS..EExtended strand (participates in β ladder)trans-71.6114.4174.7-62.7169000108.1F144 Q161 A162 A205 D212 Q214I141-F144 HydrophobicContact CG2-CB 3.86Å; I141-F144 HydrophobicContact CG2-CD2 4.23Å; I141-F144 HydrophobicContact CG2-CG 4.34Å; I141-Q161 CarbonylContact C-O 3.56Å; I141-Q161 WeakPolarHBondContact CA-O 3.47Å; I141-A162 HydrophobicContact CG1-CB 4.24Å; I141-A205 HydrophobicContact CD1-CB 4.28Å; I141-A205 HydrophobicContact CG1-CB 3.82Å; I141-D212 HydrophobicContact CG1-CB 4.4Å; I141-D212 PolarHBondContact N-OD2 2.82Å; I141-Q214 HydrophobicContact CD1-CB 4.04Å; I141-Q214 HydrophobicContact CD1-CG 4.03Å; I141-Q214 HydrophobicContact CG2-CG 4.47Å
142I98.1Very high97.7Very high101 Ų10159.9 Ų59.952%0.51830%0.299SS..EExtended strand (participates in β ladder)trans-102.8-22.1-174.554167.2000112.8K140 Q161K140-I142 PolarHBondContact O-N 2.79Å; I142-Q161 HydrophobicContact CD1-CG 4.43Å; I142-Q161 HydrophobicContact CG1-CG 4.34Å; I142-Q161 WeakPolarHBondContact CG1-O 3.37Å; I142-Q161 PolarHBondContact N-O 2.81Å
143N97.8Very high97.8Very high68 Ų6858.8 Ų58.836%0.36431%0.305SS..EExtended strand (participates in β ladder)trans-142.3124.2177.4-162.40.7000109.7M159 C160 Q161N143-M159 HydrophobicContact CB-CE 4.41Å; N143-M159 WeakPolarHBondContact ND2-CE 3.35Å; N143-M159 WeakPolarHBondContact OD1-CE 3.4Å; N143-C160 WeakPolarHBondContact O-CA 3.47Å; N143-Q161 HydrophobicContact CB-CB 3.95Å; N143-Q161 PolarHBondContact N-O 3.21Å; N143-Q161 PolarHBondContact O-N 2.01Å
144F98.4Very high97.8Very high33 Ų3360.7 Ų60.715%0.14532%0.318CS..EExtended strand (participates in β ladder)trans-146.5136.2-171.2-171.5-108000111.1I141 M159 C160 W172 C203 Q214 T215 V216I141-F144 HydrophobicContact CG2-CB 3.86Å; I141-F144 HydrophobicContact CG2-CD2 4.23Å; I141-F144 HydrophobicContact CG2-CG 4.34Å; F144-M159 WeakPolarHBondContact CA-O 3.21Å; F144-C160 HydrophobicContact CD2-CB 3.94Å; F144-C160 HydrophobicContact CE2-CB 4.25Å; F144-W172 HydrophobicContact CD2-CH2 4.23Å; F144-W172 AromaticContact CE2-CH2 3.48Å; F144-W172 HydrophobicContact CE2-CH2 3.48Å; F144-W172 VanDerWaalsContact CE2-CH2 3.48Å; F144-W172 HydrophobicContact CE2-CZ2 4.41Å; F144-W172 AromaticContact CE2-CZ3 3.86Å; F144-W172 HydrophobicContact CE2-CZ3 3.86Å; F144-W172 HydrophobicContact CZ-CH2 4.17Å; F144-W172 HydrophobicContact CZ-CZ3 4.25Å; F144-C203 HydrophobicContact CD2-CB 4.36Å; F144-C203 HydrophobicContact CE2-CB 3.66Å; F144-Q214 HydrophobicContact CD1-CB 3.85Å; F144-Q214 HydrophobicContact CD2-CB 3.98Å; F144-Q214 HydrophobicContact CE1-CB 3.72Å; F144-Q214 HydrophobicContact CE2-CB 3.84Å; F144-Q214 HydrophobicContact CG-CB 3.99Å; F144-Q214 HydrophobicContact CZ-CB 3.71Å; F144-T215 VanDerWaalsContact CE1-O 3.28Å; F144-T215 WeakPolarHBondContact CE1-O 3.19Å; F144-V216 HydrophobicContact CE1-CB 3.81Å; F144-V216 HydrophobicContact CE1-CG1 4.37Å; F144-V216 HydrophobicContact CZ-CB 3.75Å; F144-V216 HydrophobicContact CZ-CG1 3.82Å
145S98.3Very high97.9Very high26 Ų2663.7 Ų63.718%0.18234%0.335CS..PPolyproline II helixtrans-65.8148.1175.8-750000111.9M159S145-M159 PolarHBondContact N-O 2.85Å; S145-M159 PolarHBondContact OG-N 2.91Å
146R98.1Very high97.9Very high217 Ų21763.9 Ų63.982%0.81934%0.336SS*.PPolyproline II helixtrans-94.8169.3173.7-60.4-175.6-176.8-174.60.3110.8I148 V216R146-I148 WeakPolarHBondContact O-CG2 3.47Å; R146-V216 VanDerWaalsContact O-CG2 3.26Å; R146-V216 WeakPolarHBondContact O-CG2 3.33Å
147D98.4Very high98Very high112 Ų11266.1 Ų66.160%0.59935%0.352SS*.PPolyproline II helixtrans-52.8139.7176.9-57.2-19.1000111.6D217D147-D217 WeakPolarHBondContact CA-O 3.34Å; D147-D217 HydrophobicContact CB-CB 4.42Å; D147-D217 PolarHBondContact OD1-N 3.5Å
148I98.1Very high98Very high50 Ų5064.9 Ų64.926%0.25634%0.344SS..EExtended strand (participates in β ladder)trans-130148.5-177.556.4168.4000111.3R146 V150 V156 L158 D217 I218 T219R146-I148 WeakPolarHBondContact O-CG2 3.47Å; I148-V150 HydrophobicContact CD1-CG1 4.29Å; I148-V156 HydrophobicContact CD1-CB 4.4Å; I148-V156 HydrophobicContact CD1-CG1 3.39Å; I148-V156 HydrophobicContact CD1-CG2 4.13Å; I148-L158 HydrophobicContact CD1-CD2 3.95Å; I148-L158 HydrophobicContact CG1-CD2 4.44Å; I148-D217 PolarHBondContact N-O 2.83Å; I148-I218 HydrophobicContact CD1-CG1 4.19Å; I148-I218 HydrophobicContact CD1-CG2 4.16Å; I148-I218 HydrophobicContact CG1-CB 4.37Å; I148-I218 HydrophobicContact CG1-CG1 4.08Å; I148-I218 HydrophobicContact CG1-CG2 4.13Å; I148-T219 PolarHBondContact O-N 3.21Å
149V98.3Very high98.1Very high94 Ų9465.6 Ų65.657%0.5735%0.345SS*.EExtended strand (participates in β ladder)trans-120.4118.8172-173.40000107.9T219 N221V149-T219 WeakPolarHBondContact CA-O 3.32Å; V149-T219 HydrophobicContact CG1-CG2 4.08Å; V149-N221 WeakPolarHBondContact CG1-ND2 3.41Å
150V98.2Very high98.1Very high29 Ų2965.1 Ų65.118%0.17634%0.342CS..EExtended strand (participates in β ladder)trans-129.5164.9-178.1-63.60000110.7I148 V156 I193 I218 T219 V220 N221I148-V150 HydrophobicContact CD1-CG1 4.29Å; V150-V156 HydrophobicContact CG1-CG2 4.16Å; V150-V156 HydrophobicContact CG2-CG2 3.9Å; V150-I193 HydrophobicContact CG2-CG2 3.95Å; V150-I218 HydrophobicContact CG2-CG2 4.27Å; V150-T219 PolarHBondContact N-O 2.75Å; V150-V220 HydrophobicContact CG2-CG2 4.36Å; V150-V220 CarbonylContact O-C 3.47Å; V150-V220 WeakPolarHBondContact O-CA 3.33Å; V150-N221 PolarHBondContact O-N 2.86Å
151N98.3Very high98.2Very high71 Ų7162.2 Ų62.238%0.3833%0.33SS..EExtended strand (participates in β ladder)trans-90.6150.3173.2-64.2-18.9000110.2G153 S154 N221N151-G153 PolarHBondContact O-N 3.21Å; N151-S154 PolarHBondContact N-OG 3.49Å; N151-S154 WeakPolarHBondContact O-CB 2.89Å; N151-S154 PolarHBondContact O-N 2.98Å; N151-S154 PolarHBondContact O-OG 2.77Å; N151-N221 WeakPolarHBondContact CA-O 3.21Å; N151-N221 PolarHBondContact OD1-ND2 2.83Å
152E97.9Very high98.1Very high76 Ų7662 Ų6236%0.35533%0.33SS..THydrogen-bonded Turntrans-52.4134.1173.1-173.2162.6-124.300111R195 V220 N221 Y222E152-R195 PolarHBondContact OE1-N 2.92Å; E152-R195 IonicContact OE1-NE 3.39Å; E152-R195 PolarHBondContact OE1-NE 2.9Å; E152-R195 VanDerWaalsContact OE1-NE 3.16Å; E152-R195 IonicContact OE1-NH2 3.84Å; E152-R195 IonicContact OE2-CZ 3.17Å; E152-R195 IonicContact OE2-NE 2.97Å; E152-R195 PolarHBondContact OE2-NE 3.26Å; E152-R195 IonicContact OE2-NH2 3.17Å; E152-R195 PolarHBondContact OE2-NH2 3.08Å; E152-V220 HydrophobicContact CB-CG1 3.87Å; E152-N221 PolarHBondContact N-O 3.01Å; E152-Y222 WeakPolarHBondContact OE2-CB 3.44Å
153G97.6Very high98.1Very high43 Ų4359.4 Ų59.444%0.44332%0.321SS..THydrogen-bonded Turntrans86.5-0.7-173.700000115.5N151 I193N151-G153 PolarHBondContact O-N 3.21Å; G153-I193 PolarHBondContact N-O 2.94Å
154S98.2Very high98.1Very high39 Ų3956.9 Ų56.927%0.27331%0.311SS..  trans-73.8154.6174.5-55.30000112.1N151 S192 I193N151-S154 PolarHBondContact N-OG 3.49Å; N151-S154 WeakPolarHBondContact O-CB 2.89Å; N151-S154 PolarHBondContact O-N 2.98Å; N151-S154 PolarHBondContact O-OG 2.77Å; S154-S192 PolarHBondContact O-N 2.82Å; S154-I193 WeakPolarHBondContact O-CG2 3.48Å; S154-I193 PolarHBondContact O-N 2.81Å
155N98Very high98Very high117 Ų11758.5 Ų58.563%0.62632%0.317SS*.  trans-88.3136.9167.4-66-10.1000109.7I190 S191 S192N155-I190 CarbonylContact C-O 3.54Å; N155-I190 WeakPolarHBondContact CA-O 3.45Å; N155-S191 WeakPolarHBondContact OD1-CA 3.28Å; N155-S192 PolarHBondContact OD1-N 2.83Å
156V97.9Very high97.9Very high5 Ų559.9 Ų59.93%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-125.3137.5-178.1172.80000109.6I148 V150 L158 E189 I190 I193 I218I148-V156 HydrophobicContact CD1-CB 4.4Å; I148-V156 HydrophobicContact CD1-CG1 3.39Å; I148-V156 HydrophobicContact CD1-CG2 4.13Å; V150-V156 HydrophobicContact CG1-CG2 4.16Å; V150-V156 HydrophobicContact CG2-CG2 3.9Å; V156-L158 HydrophobicContact CG1-CD2 4.36Å; V156-L158 HydrophobicContact CG1-CG 4.12Å; V156-E189 WeakPolarHBondContact O-CA 3.24Å; V156-I190 HydrophobicContact CB-CB 4.27Å; V156-I190 PolarHBondContact N-O 2.89Å; V156-I190 PolarHBondContact O-N 2.81Å; V156-I193 HydrophobicContact CG2-CD1 4.2Å; V156-I193 HydrophobicContact CG2-CG2 4.3Å; V156-I218 HydrophobicContact CG1-CD1 4.19Å
157T98Very high97.9Very high82 Ų8256.3 Ų56.350%0.50332%0.318SS..EExtended strand (participates in β ladder)trans-128.2120170.3-550000108.6L187 L188 E189T157-L187 HydrophobicContact CG2-CD2 4.38Å; T157-L188 CarbonylContact C-O 3.57Å; T157-L188 WeakPolarHBondContact CA-O 3.47Å; T157-E189 HydrophobicContact CG2-CG 4.14Å
158L98.3Very high97.8Very high2 Ų251.6 Ų51.61%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-107.5148.4172.1-61.4176.1000109.8I148 V156 W172 L187 L188 Y201 V216 I218I148-L158 HydrophobicContact CD1-CD2 3.95Å; I148-L158 HydrophobicContact CG1-CD2 4.44Å; V156-L158 HydrophobicContact CG1-CD2 4.36Å; V156-L158 HydrophobicContact CG1-CG 4.12Å; L158-W172 HydrophobicContact CB-CH2 3.92Å; L158-W172 HydrophobicContact CB-CZ2 4.14Å; L158-W172 HydrophobicContact CD1-CZ3 4.39Å; L158-L187 CarbonylContact O-C 3.59Å; L158-L187 VanDerWaalsContact O-CA 3.32Å; L158-L187 WeakPolarHBondContact O-CA 3.26Å; L158-L188 HydrophobicContact CB-CB 4.28Å; L158-L188 HydrophobicContact CD1-CD2 4.2Å; L158-L188 PolarHBondContact N-O 2.89Å; L158-L188 PolarHBondContact O-N 2.88Å; L158-Y201 HydrophobicContact CD1-CG 4.45Å; L158-V216 HydrophobicContact CD1-CG1 3.62Å; L158-V216 HydrophobicContact CD2-CG1 4.44Å; L158-V216 HydrophobicContact CD2-CG2 4.32Å; L158-I218 HydrophobicContact CD1-CD1 3.61Å; L158-I218 HydrophobicContact CD1-CG1 4.05Å; L158-I218 HydrophobicContact CG-CD1 4.4Å
159M98.3Very high97.8Very high61 Ų6153 Ų5330%0.331%0.308SS..EExtended strand (participates in β ladder)trans-121.1136.9-177.5178.617554.100110.1N143 F144 S145 L187N143-M159 HydrophobicContact CB-CE 4.41Å; N143-M159 WeakPolarHBondContact ND2-CE 3.35Å; N143-M159 WeakPolarHBondContact OD1-CE 3.4Å; F144-M159 WeakPolarHBondContact CA-O 3.21Å; S145-M159 PolarHBondContact N-O 2.85Å; S145-M159 PolarHBondContact OG-N 2.91Å; M159-L187 HydrophobicContact CB-CD2 3.79Å; M159-L187 HydrophobicContact CG-CD2 3.89Å
160C98.4Very high97.8Very high0 Ų049.2 Ų49.20%029%0.285CS..EExtended strand (participates in β ladder)trans-143.1104.3170.6-178.10000109N143 F144 I170 W172 E186 C203N143-C160 WeakPolarHBondContact O-CA 3.47Å; F144-C160 HydrophobicContact CD2-CB 3.94Å; F144-C160 HydrophobicContact CE2-CB 4.25Å; C160-I170 HydrophobicContact CB-CG2 4.35Å; C160-W172 HydrophobicContact CB-CH2 3.85Å; C160-W172 HydrophobicContact CB-CZ2 3.2Å; C160-E186 PolarHBondContact N-O 3.05Å; C160-E186 WeakPolarHBondContact O-CA 3.39Å; C160-E186 WeakPolarHBondContact O-CB 3.34Å; C160-C203 HydrophobicContact CB-CB 3.57Å; C160-C203 WeakPolarHBondContact CB-SG 3.46Å; C160-C203 WeakPolarHBondContact SG-CB 3.33Å; C160-C203 CovalentContact SG-SG 2.01Å; C160-C203 PolarHBondContact SG-SG 2.85Å
161Q98.2Very high97.8Very high71 Ų7149.1 Ų49.133%0.33229%0.285SS..EExtended strand (participates in β ladder)trans-112.4130.9178.7-170.6177.526.900108.8I141 I142 N143I141-Q161 CarbonylContact C-O 3.56Å; I141-Q161 WeakPolarHBondContact CA-O 3.47Å; I142-Q161 HydrophobicContact CD1-CG 4.43Å; I142-Q161 HydrophobicContact CG1-CG 4.34Å; I142-Q161 WeakPolarHBondContact CG1-O 3.37Å; I142-Q161 PolarHBondContact N-O 2.81Å; N143-Q161 HydrophobicContact CB-CB 3.95Å; N143-Q161 PolarHBondContact N-O 3.21Å; N143-Q161 PolarHBondContact O-N 2.01Å
162A98.3Very high97.8Very high6 Ų645.7 Ų45.75%0.0527%0.267CS..EExtended strand (participates in β ladder)trans-121.5151.6177.800000111.9K140 I141 P168 I170 A205K140-A162 CarbonylContact O-C 3.51Å; K140-A162 WeakPolarHBondContact O-CA 3.38Å; K140-A162 WeakPolarHBondContact O-CB 3.33Å; I141-A162 HydrophobicContact CG1-CB 4.24Å; A162-P168 HydrophobicContact CB-CB 4.38Å; A162-P168 HydrophobicContact CB-CG 3.71Å; A162-I170 HydrophobicContact CB-CD1 3.76Å; A162-A205 HydrophobicContact CB-CB 3.48Å; A162-A205 VanDerWaalsContact CB-CB 3.48Å
163S97.7Very high97.7Very high46 Ų4645.9 Ų45.932%0.32227%0.267SS..EExtended strand (participates in β ladder)trans-106.5146.9167.163.20000109.5P139 K140P139-S163 CarbonylContact C-O 3.58Å; P139-S163 WeakPolarHBondContact CA-O 3.34Å; K140-S163 PolarHBondContact N-O 2.89Å; K140-S163 PolarHBondContact O-N 2.9Å; K140-S163 PolarHBondContact O-OG 3.2Å
164G97Very high97.5Very high15 Ų1544.5 Ų44.516%0.15525%0.249CC..EExtended strand (participates in β ladder)trans-179.7166.7173.400000110.5P166G164-P166 CarbonylContact C-O 3.57Å; G164-P166 VanDerWaalsContact C-O 3.23Å
165K96.8Very high97.2Very high66 Ų6646.9 Ų46.929%0.28726%0.258SS..EExtended strand (participates in β ladder)trans-139.8117170.2-173.4174.7177.3-1800109.8M110 E113 V135 Q136 V137M110-K165 HydrophobicContact CE-CD 3.45Å; M110-K165 VanDerWaalsContact CE-CD 3.45Å; M110-K165 HydrophobicContact SD-CD 4.26Å; E113-K165 IonicContact OE1-NZ 2.83Å; E113-K165 PolarHBondContact OE1-NZ 3.05Å; E113-K165 IonicContact OE2-NZ 3.37Å; E113-K165 PolarHBondContact OE2-NZ 3.24Å; V135-K165 WeakPolarHBondContact O-CD 3.04Å; Q136-K165 CarbonylContact C-O 3.54Å; Q136-K165 VanDerWaalsContact CA-O 3.24Å; Q136-K165 WeakPolarHBondContact CA-O 3.47Å; Q136-K165 WeakPolarHBondContact CB-O 2.91Å; V137-K165 HydrophobicContact CB-CB 4.12Å; V137-K165 HydrophobicContact CG2-CB 4.11Å; V137-K165 PolarHBondContact N-O 2.79Å; V137-K165 PolarHBondContact O-N 2.95Å; V137-K165 VanDerWaalsContact O-O 3.14Å
166P96.3Very high96.5Very high55 Ų5545 Ų4536%0.35725%0.254SS..SBendcis-56.8159-2.6-21.635.2000113.8G164 N207 D208G164-P166 CarbonylContact C-O 3.57Å; G164-P166 VanDerWaalsContact C-O 3.23Å; P166-N207 PolarHBondContact O-ND2 2.87Å; P166-D208 WeakPolarHBondContact CD-OD1 3.47Å; P166-D208 WeakPolarHBondContact CG-OD1 3.42Å
167E96.9Very high95.3Very high142 Ų14249.3 Ų49.366%0.66428%0.277SS*.PPolyproline II helixtrans-54.4126.2-179.4-169.567.1-170.200109.7
168P98.1Very high94Very high14 Ų1450 Ų509%0.09129%0.285CS..PPolyproline II helixtrans-74.8143.8-175.329.7-34000112.1P139 A162 V206 N207P139-P168 HydrophobicContact CB-CB 3.87Å; P139-P168 HydrophobicContact CB-CG 4.5Å; A162-P168 HydrophobicContact CB-CB 4.38Å; A162-P168 HydrophobicContact CB-CG 3.71Å; P168-V206 CarbonylContact C-O 3.58Å; P168-V206 WeakPolarHBondContact CA-O 3.36Å; P168-N207 HydrophobicContact CB-CB 4.49Å
169S98Very high92.6Very high79 Ų7951.4 Ų51.455%0.55230%0.3SS*.EExtended strand (participates in β ladder)trans-84.4142.5165.656.70000110.5A205 V206S169-A205 WeakPolarHBondContact O-CA 3.45Å; S169-V206 PolarHBondContact N-O 2.94Å; S169-V206 PolarHBondContact O-N 2.93Å; S169-V206 PolarHBondContact OG-O 2.95Å
170I98.3Very high91.8Very high14 Ų1453.2 Ų53.27%0.07231%0.311CS..EExtended strand (participates in β ladder)trans-103146.4177.4-59.8-55.8000109.9C160 A162 D184 D185 E186 C203 T204 A205C160-I170 HydrophobicContact CB-CG2 4.35Å; A162-I170 HydrophobicContact CB-CD1 3.76Å; I170-D184 CarbonylContact O-C 3.58Å; I170-D184 WeakPolarHBondContact O-CA 3.38Å; I170-D184 VanDerWaalsContact O-O 3.05Å; I170-D185 WeakPolarHBondContact CG2-O 3.32Å; I170-E186 HydrophobicContact CG1-CG 4.17Å; I170-C203 VanDerWaalsContact CG2-SG 3.59Å; I170-T204 CarbonylContact C-O 3.49Å; I170-T204 WeakPolarHBondContact CA-O 3.43Å; I170-A205 HydrophobicContact CD1-CB 3.55Å
171S97.6Very high91.2Very high27 Ų2758.3 Ų58.319%0.18934%0.338CS..EExtended strand (participates in β ladder)trans-148.1144.8167.359.60000111.6S183 C203 T204S171-S183 CarbonylContact C-O 3.57Å; S171-S183 WeakPolarHBondContact CA-O 3.45Å; S171-C203 CarbonylContact O-C 3.57Å; S171-C203 WeakPolarHBondContact O-CA 3.46Å; S171-T204 PolarHBondContact N-O 3.35Å; S171-T204 PolarHBondContact O-N 3.01Å
172W97.9Very high90.6Very high0 Ų056.8 Ų56.80%034%0.337CS..EExtended strand (participates in β ladder)trans-114.2138.8179.3-72.396.1000111.3F144 L158 C160 A182 S183 D185 L188 E202 C203 V216F144-W172 HydrophobicContact CD2-CH2 4.23Å; F144-W172 AromaticContact CE2-CH2 3.48Å; F144-W172 HydrophobicContact CE2-CH2 3.48Å; F144-W172 VanDerWaalsContact CE2-CH2 3.48Å; F144-W172 HydrophobicContact CE2-CZ2 4.41Å; F144-W172 AromaticContact CE2-CZ3 3.86Å; F144-W172 HydrophobicContact CE2-CZ3 3.86Å; F144-W172 HydrophobicContact CZ-CH2 4.17Å; F144-W172 HydrophobicContact CZ-CZ3 4.25Å; L158-W172 HydrophobicContact CB-CH2 3.92Å; L158-W172 HydrophobicContact CB-CZ2 4.14Å; L158-W172 HydrophobicContact CD1-CZ3 4.39Å; C160-W172 HydrophobicContact CB-CH2 3.85Å; C160-W172 HydrophobicContact CB-CZ2 3.2Å; W172-A182 HydrophobicContact CB-CB 4.17Å; W172-A182 PolarHBondContact O-N 3.05Å; W172-S183 PolarHBondContact N-O 3Å; W172-D185 VanDerWaalsContact CD1-O 3.27Å; W172-D185 PolarHBondContact NE1-O 2.92Å; W172-L188 HydrophobicContact CB-CD2 4.16Å; W172-L188 HydrophobicContact CD2-CB 3.99Å; W172-L188 HydrophobicContact CD2-CD2 4.08Å; W172-L188 HydrophobicContact CE3-CD2 4.12Å; W172-L188 HydrophobicContact CG-CB 3.95Å; W172-L188 HydrophobicContact CG-CD2 4.14Å; W172-L188 HydrophobicContact CZ2-CB 4.44Å; W172-E202 CarbonylContact C-O 3.55Å; W172-E202 VanDerWaalsContact CA-O 3.25Å; W172-E202 WeakPolarHBondContact CA-O 3.25Å; W172-C203 HydrophobicContact CD2-CB 3.96Å; W172-C203 HydrophobicContact CE3-CB 3.77Å; W172-C203 HydrophobicContact CH2-CB 3.86Å; W172-C203 HydrophobicContact CZ2-CB 4.04Å; W172-C203 HydrophobicContact CZ3-CB 3.7Å; W172-V216 HydrophobicContact CH2-CG1 4.29Å; W172-V216 HydrophobicContact CZ3-CG1 3.86Å
173K95.8Very high90.5Very high80 Ų8057.4 Ų57.435%0.34834%0.341SS..EExtended strand (participates in β ladder)trans-136.9143.3174.8-67.1177.2-177.4171.20110.9Y201 E202K173-Y201 CarbonylContact O-C 3.55Å; K173-Y201 WeakPolarHBondContact O-CA 3.48Å; K173-E202 PolarHBondContact N-O 2.84Å; K173-E202 PolarHBondContact O-N 3.2Å
174L94.4Very high90.3Very high13 Ų1360.4 Ų60.47%0.06835%0.353CS..EExtended strand (participates in β ladder)trans-89.3111.9168177.555.5000108.6S176 N177 Y201L174-S176 VanDerWaalsContact C-N 3.27Å; L174-S176 VanDerWaalsContact CD1-OG 3.26Å; L174-S176 WeakPolarHBondContact CD1-OG 3.34Å; L174-S176 WeakPolarHBondContact CG-OG 3.2Å; L174-S176 PolarHBondContact O-N 3.11Å; L174-N177 HydrophobicContact CD2-CB 3.9Å; L174-N177 HydrophobicContact CG-CB 4.17Å; L174-N177 PolarHBondContact O-N 3.38Å; L174-Y201 HydrophobicContact CB-CD1 4.25Å; L174-Y201 HydrophobicContact CB-CE1 3.89Å; L174-Y201 HydrophobicContact CD1-CD1 4.41Å; L174-Y201 HydrophobicContact CD1-CD2 3.89Å; L174-Y201 HydrophobicContact CD1-CE1 4.15Å; L174-Y201 HydrophobicContact CD1-CE2 3.59Å; L174-Y201 HydrophobicContact CD1-CG 4.3Å; L174-Y201 HydrophobicContact CG-CE1 4.43Å
175I91.7Very high90.3Very high89 Ų8964.7 Ų64.746%0.45637%0.373SS..THydrogen-bonded Turntrans-64.7-34.4-173.7-58.8179.8000111.3N177 V200 E202 T215I175-N177 VanDerWaalsContact C-N 3.31Å; I175-N177 PolarHBondContact O-N 2.82Å; I175-V200 HydrophobicContact CD1-CB 4.23Å; I175-V200 HydrophobicContact CD1-CG1 3.76Å; I175-V200 WeakPolarHBondContact CG1-O 3.21Å; I175-V200 PolarHBondContact N-O 3.23Å; I175-E202 HydrophobicContact CD1-CB 4.07Å; I175-E202 HydrophobicContact CG1-CB 4.04Å; I175-T215 HydrophobicContact CD1-CG2 4.12Å
176S81.8Confident90.3Very high79 Ų7965.5 Ų65.555%0.55238%0.377SS*.THydrogen-bonded Turntrans-71.1-21.1-176.755.80000114.2L174 A198L174-S176 VanDerWaalsContact C-N 3.27Å; L174-S176 VanDerWaalsContact CD1-OG 3.26Å; L174-S176 WeakPolarHBondContact CD1-OG 3.34Å; L174-S176 WeakPolarHBondContact CG-OG 3.2Å; L174-S176 PolarHBondContact O-N 3.11Å; S176-A198 PolarHBondContact OG-O 2.81Å
177N73.4Confident90.4Very high94 Ų9466.5 Ų66.550%0.50338%0.379SS..THydrogen-bonded Turntrans-12181-173.5-168.337.9000111.7L174 I175 G179 D180L174-N177 HydrophobicContact CD2-CB 3.9Å; L174-N177 HydrophobicContact CG-CB 4.17Å; L174-N177 PolarHBondContact O-N 3.38Å; I175-N177 VanDerWaalsContact C-N 3.31Å; I175-N177 PolarHBondContact O-N 2.82Å; N177-G179 PolarHBondContact O-N 3.02Å; N177-D180 PolarHBondContact O-N 3.49Å
178S70.6Confident90.4Very high98 Ų9859.9 Ų59.969%0.68535%0.349SS*.THydrogen-bonded Turntrans54-3.4177.3550000117.8D180S178-D180 VanDerWaalsContact OG-CG 3.31Å; S178-D180 PolarHBondContact OG-OD1 2.95Å
179G68.8Low90.3Very high31 Ų3165.6 Ų65.632%0.3237%0.374SS..THydrogen-bonded Turntrans78.821.3-175.800000113.9N177N177-G179 PolarHBondContact O-N 3.02Å
180D80.9Confident90.3Very high99 Ų9961.9 Ų61.953%0.52935%0.348SS..  trans-60.9143.5178.4-69.14.4000110.8N177 S178 A182N177-D180 PolarHBondContact O-N 3.49Å; S178-D180 VanDerWaalsContact OG-CG 3.31Å; S178-D180 PolarHBondContact OG-OD1 2.95Å; D180-A182 PolarHBondContact O-N 2.81Å
181L86.2Confident90.2Very high107 Ų10765.3 Ų65.356%0.5637%0.373SS*.EExtended strand (participates in β ladder)trans-64.2119.6179.1-175.470.9000109.8S183L181-S183 WeakPolarHBondContact CD1-O 3.38Å
182A87.1Confident90.2Very high38 Ų3868 Ų6831%0.31439%0.392SS..EExtended strand (participates in β ladder)trans-89.1-36.5178.600000112.3W172 D180 L188 Y201W172-A182 HydrophobicContact CB-CB 4.17Å; W172-A182 PolarHBondContact O-N 3.05Å; D180-A182 PolarHBondContact O-N 2.81Å; A182-L188 HydrophobicContact CB-CD1 4.07Å; A182-Y201 HydrophobicContact CB-CE1 4.47Å
183S94.5Very high90.1Very high19 Ų1968 Ų6813%0.13339%0.392CS..EExtended strand (participates in β ladder)trans-168156.1177.5174.20000109.8S171 W172 L181 D185S171-S183 CarbonylContact C-O 3.57Å; S171-S183 WeakPolarHBondContact CA-O 3.45Å; W172-S183 PolarHBondContact N-O 3Å; L181-S183 WeakPolarHBondContact CD1-O 3.38Å; S183-D185 PolarHBondContact OG-N 2.68Å; S183-D185 VanDerWaalsContact OG-N 3.11Å
184D95.3Very high90.2Very high110 Ų11066.1 Ų66.159%0.58839%0.389SS*.SBendtrans-114.511.9171.856.6-18.8000112.9I170I170-D184 CarbonylContact O-C 3.58Å; I170-D184 WeakPolarHBondContact O-CA 3.38Å; I170-D184 VanDerWaalsContact O-O 3.05Å
185D95.9Very high90.2Very high105 Ų10568.8 Ų68.856%0.56140%0.398SS*.SBendtrans-99.6161.8176.7-72.7-45.3000111.9I170 W172 S183 L187I170-D185 WeakPolarHBondContact CG2-O 3.32Å; W172-D185 VanDerWaalsContact CD1-O 3.27Å; W172-D185 PolarHBondContact NE1-O 2.92Å; S183-D185 PolarHBondContact OG-N 2.68Å; S183-D185 VanDerWaalsContact OG-N 3.11Å; D185-L187 PolarHBondContact O-N 3.42Å
186E96.9Very high90.2Very high82 Ų8272.5 Ų72.538%0.38341%0.413SS..SBendtrans-59.5-30.2172-65.1-170.3157.300112.4C160 I170C160-E186 PolarHBondContact N-O 3.05Å; C160-E186 WeakPolarHBondContact O-CA 3.39Å; C160-E186 WeakPolarHBondContact O-CB 3.34Å; I170-E186 HydrophobicContact CG1-CG 4.17Å
187L97.7Very high90.8Very high76 Ų7673.1 Ų73.140%0.39840%0.404SS..EExtended strand (participates in β ladder)trans-107.1123.2179.3-61.7-179.1000110.8T157 L158 M159 D185T157-L187 HydrophobicContact CG2-CD2 4.38Å; L158-L187 CarbonylContact O-C 3.59Å; L158-L187 VanDerWaalsContact O-CA 3.32Å; L158-L187 WeakPolarHBondContact O-CA 3.26Å; M159-L187 HydrophobicContact CB-CD2 3.79Å; M159-L187 HydrophobicContact CG-CD2 3.89Å; D185-L187 PolarHBondContact O-N 3.42Å
188L97.6Very high91.8Very high3 Ų370 Ų702%0.01639%0.391CS..EExtended strand (participates in β ladder)trans-95.9110.7169171.862.5000109.5T157 L158 W172 A182 I190 Y201T157-L188 CarbonylContact C-O 3.57Å; T157-L188 WeakPolarHBondContact CA-O 3.47Å; L158-L188 HydrophobicContact CB-CB 4.28Å; L158-L188 HydrophobicContact CD1-CD2 4.2Å; L158-L188 PolarHBondContact N-O 2.89Å; L158-L188 PolarHBondContact O-N 2.88Å; W172-L188 HydrophobicContact CB-CD2 4.16Å; W172-L188 HydrophobicContact CD2-CB 3.99Å; W172-L188 HydrophobicContact CD2-CD2 4.08Å; W172-L188 HydrophobicContact CE3-CD2 4.12Å; W172-L188 HydrophobicContact CG-CB 3.95Å; W172-L188 HydrophobicContact CG-CD2 4.14Å; W172-L188 HydrophobicContact CZ2-CB 4.44Å; A182-L188 HydrophobicContact CB-CD1 4.07Å; L188-I190 HydrophobicContact CD1-CG1 4.24Å; L188-I190 HydrophobicContact CD2-CD1 4.28Å; L188-I190 HydrophobicContact CG-CD1 4.32Å; L188-I190 HydrophobicContact CG-CG1 4.19Å; L188-Y201 HydrophobicContact CD2-CD1 3.46Å; L188-Y201 VanDerWaalsContact CD2-CD1 3.46Å; L188-Y201 HydrophobicContact CD2-CE1 3.75Å; L188-Y201 HydrophobicContact CD2-CG 4.28Å
189E97.1Very high93Very high134 Ų13466.2 Ų66.263%0.62637%0.367SS*.EExtended strand (participates in β ladder)trans-103.7123177.7-63.3-171.9160.800111.5V156 T157V156-E189 WeakPolarHBondContact O-CA 3.24Å; T157-E189 HydrophobicContact CG2-CG 4.14Å
190I96.7Very high94.3Very high2 Ų267.3 Ų67.31%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-121106.8178-55.9175.5000107.9N155 V156 L188 I193 Y201 I218N155-I190 CarbonylContact C-O 3.54Å; N155-I190 WeakPolarHBondContact CA-O 3.45Å; V156-I190 HydrophobicContact CB-CB 4.27Å; V156-I190 PolarHBondContact N-O 2.89Å; V156-I190 PolarHBondContact O-N 2.81Å; L188-I190 HydrophobicContact CD1-CG1 4.24Å; L188-I190 HydrophobicContact CD2-CD1 4.28Å; L188-I190 HydrophobicContact CG-CD1 4.32Å; L188-I190 HydrophobicContact CG-CG1 4.19Å; I190-I193 HydrophobicContact CD1-CD1 4.41Å; I190-I193 HydrophobicContact CG2-CB 3.86Å; I190-I193 HydrophobicContact CG2-CD1 4.18Å; I190-I193 HydrophobicContact CG2-CG1 3.87Å; I190-Y201 HydrophobicContact CD1-CE1 4.03Å; I190-Y201 WeakPolarHBondContact CD1-OH 3.35Å; I190-I218 HydrophobicContact CD1-CD1 4.14Å
191S97.1Very high95.1Very high85 Ų8562.7 Ų62.759%0.59434%0.343SS*.SBendtrans-81.5140.1172.8-65.30000110.9N155 I193N155-S191 WeakPolarHBondContact OD1-CA 3.28Å; S191-I193 PolarHBondContact O-N 3.08Å
192S97.2Very high95.7Very high83 Ų8360.2 Ų60.258%0.5833%0.328SS*.SBendtrans45.160.9175.6-58.10000113.5S154 N155 S194S154-S192 PolarHBondContact O-N 2.82Å; N155-S192 PolarHBondContact OD1-N 2.83Å; S192-S194 PolarHBondContact O-N 2.91Å
193I96.6Very high96.2Very high1 Ų158.4 Ų58.41%0.00531%0.313CS..  trans-59.2134.6-173.4-165.5168000112.6V150 G153 S154 V156 I190 S191 R197 I218 V220V150-I193 HydrophobicContact CG2-CG2 3.95Å; G153-I193 PolarHBondContact N-O 2.94Å; S154-I193 WeakPolarHBondContact O-CG2 3.48Å; S154-I193 PolarHBondContact O-N 2.81Å; V156-I193 HydrophobicContact CG2-CD1 4.2Å; V156-I193 HydrophobicContact CG2-CG2 4.3Å; I190-I193 HydrophobicContact CD1-CD1 4.41Å; I190-I193 HydrophobicContact CG2-CB 3.86Å; I190-I193 HydrophobicContact CG2-CD1 4.18Å; I190-I193 HydrophobicContact CG2-CG1 3.87Å; S191-I193 PolarHBondContact O-N 3.08Å; I193-R197 HydrophobicContact CD1-CB 4.44Å; I193-R197 HydrophobicContact CG1-CB 3.99Å; I193-I218 HydrophobicContact CD1-CD1 4.41Å; I193-I218 HydrophobicContact CD1-CG2 3.71Å; I193-V220 HydrophobicContact CD1-CG2 3.81Å; I193-V220 HydrophobicContact CG1-CG2 4.04Å; I193-V220 HydrophobicContact CG2-CG1 4.46Å; I193-V220 HydrophobicContact CG2-CG2 4.24Å
194S96Very high96.4Very high40 Ų4058.3 Ų58.328%0.2831%0.312SS..  trans-100.1159.8173.869.90000111.5S192 Q196 R197S192-S194 PolarHBondContact O-N 2.91Å; S194-Q196 PolarHBondContact O-N 2.79Å; S194-Q196 VanDerWaalsContact O-N 3.13Å; S194-R197 PolarHBondContact O-N 3.4Å
195R95.1Very high96.5Very high70 Ų7053 Ų5326%0.26428%0.284SS..G310 helixtrans-58.4-24.4176.470.3-173.972.5-172.9-0.6114.8E152 R197 A198 Y222 D247E152-R195 PolarHBondContact OE1-N 2.92Å; E152-R195 IonicContact OE1-NE 3.39Å; E152-R195 PolarHBondContact OE1-NE 2.9Å; E152-R195 VanDerWaalsContact OE1-NE 3.16Å; E152-R195 IonicContact OE1-NH2 3.84Å; E152-R195 IonicContact OE2-CZ 3.17Å; E152-R195 IonicContact OE2-NE 2.97Å; E152-R195 PolarHBondContact OE2-NE 3.26Å; E152-R195 IonicContact OE2-NH2 3.17Å; E152-R195 PolarHBondContact OE2-NH2 3.08Å; R195-R197 PolarHBondContact O-N 2.89Å; R195-A198 VanDerWaalsContact O-CB 3.29Å; R195-A198 WeakPolarHBondContact O-CB 3.36Å; R195-A198 PolarHBondContact O-N 2.77Å; R195-Y222 HydrophobicContact CB-CD1 3.57Å; R195-Y222 HydrophobicContact CB-CE1 3.54Å; R195-Y222 HydrophobicContact CB-CG 4.35Å; R195-Y222 HydrophobicContact CG-CE1 4.41Å; R195-Y222 VanDerWaalsContact CZ-CG 3.43Å; R195-D247 IonicContact NH1-OD2 3.53Å; R195-D247 PolarHBondContact NH1-OD2 3.49Å
196Q93Very high96.6Very high166 Ų16650.3 Ų50.378%0.77627%0.271SS*.G310 helixtrans-71.6-17.6176.5-66.1177.8-1100113.1S194S194-Q196 PolarHBondContact O-N 2.79Å; S194-Q196 VanDerWaalsContact O-N 3.13Å
197R93.4Very high96.6Very high93 Ų9347.3 Ų47.335%0.35126%0.257SS..G310 helixtrans-97.910.5176-61.5-175.671.6168.24.6112.1I193 S194 R195 Y201I193-R197 HydrophobicContact CD1-CB 4.44Å; I193-R197 HydrophobicContact CG1-CB 3.99Å; S194-R197 PolarHBondContact O-N 3.4Å; R195-R197 PolarHBondContact O-N 2.89Å; R197-Y201 WeakPolarHBondContact O-CE2 3.36Å; R197-Y201 PolarHBondContact O-OH 3.38Å
198A95Very high96.5Very high28 Ų2848.9 Ų48.923%0.23127%0.266CS..  trans-73.9156.7171.800000111.3S176 R195 I218 V220S176-A198 PolarHBondContact OG-O 2.81Å; R195-A198 VanDerWaalsContact O-CB 3.29Å; R195-A198 WeakPolarHBondContact O-CB 3.36Å; R195-A198 PolarHBondContact O-N 2.77Å; A198-I218 WeakPolarHBondContact CA-O 3.33Å; A198-V220 HydrophobicContact CB-CB 4.14Å; A198-V220 HydrophobicContact CB-CG2 3.86Å
199G95.3Very high96.3Very high18 Ų1849.8 Ų49.819%0.18627%0.271CS..EExtended strand (participates in β ladder)trans118.7-162.3174.300000113.5Y201 D217 I218G199-Y201 WeakPolarHBondContact O-CD2 3.39Å; G199-D217 WeakPolarHBondContact CA-OD1 3.37Å; G199-I218 PolarHBondContact N-O 2.91Å; G199-I218 PolarHBondContact O-N 2.98Å
200V96.9Very high96.3Very high55 Ų5547.4 Ų47.433%0.33326%0.262SS..EExtended strand (participates in β ladder)trans-85.8120.6-170-173.50000111.1I175 T215 V216 D217I175-V200 HydrophobicContact CD1-CB 4.23Å; I175-V200 HydrophobicContact CD1-CG1 3.76Å; I175-V200 WeakPolarHBondContact CG1-O 3.21Å; I175-V200 PolarHBondContact N-O 3.23Å; V200-T215 HydrophobicContact CG1-CG2 4.13Å; V200-V216 WeakPolarHBondContact CA-O 3.38Å; V200-D217 HydrophobicContact CG2-CB 4.48Å
201Y97Very high96.3Very high2 Ų250.5 Ų50.51%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-96.9135.1170.9-74.2-98.4000110L158 K173 L174 A182 L188 I190 R197 G199 T215 V216 I218L158-Y201 HydrophobicContact CD1-CG 4.45Å; K173-Y201 CarbonylContact O-C 3.55Å; K173-Y201 WeakPolarHBondContact O-CA 3.48Å; L174-Y201 HydrophobicContact CB-CD1 4.25Å; L174-Y201 HydrophobicContact CB-CE1 3.89Å; L174-Y201 HydrophobicContact CD1-CD1 4.41Å; L174-Y201 HydrophobicContact CD1-CD2 3.89Å; L174-Y201 HydrophobicContact CD1-CE1 4.15Å; L174-Y201 HydrophobicContact CD1-CE2 3.59Å; L174-Y201 HydrophobicContact CD1-CG 4.3Å; L174-Y201 HydrophobicContact CG-CE1 4.43Å; A182-Y201 HydrophobicContact CB-CE1 4.47Å; L188-Y201 HydrophobicContact CD2-CD1 3.46Å; L188-Y201 VanDerWaalsContact CD2-CD1 3.46Å; L188-Y201 HydrophobicContact CD2-CE1 3.75Å; L188-Y201 HydrophobicContact CD2-CG 4.28Å; I190-Y201 HydrophobicContact CD1-CE1 4.03Å; I190-Y201 WeakPolarHBondContact CD1-OH 3.35Å; R197-Y201 WeakPolarHBondContact O-CE2 3.36Å; R197-Y201 PolarHBondContact O-OH 3.38Å; G199-Y201 WeakPolarHBondContact O-CD2 3.39Å; Y201-T215 CarbonylContact O-C 3.59Å; Y201-T215 WeakPolarHBondContact O-CA 3.5Å; Y201-V216 PolarHBondContact N-O 3.13Å; Y201-V216 PolarHBondContact O-N 2.98Å; Y201-I218 HydrophobicContact CD2-CB 4.36Å; Y201-I218 HydrophobicContact CD2-CD1 3.42Å; Y201-I218 VanDerWaalsContact CD2-CD1 3.42Å; Y201-I218 HydrophobicContact CD2-CG1 3.67Å; Y201-I218 HydrophobicContact CE2-CB 4.19Å; Y201-I218 HydrophobicContact CE2-CD1 3.25Å; Y201-I218 HydrophobicContact CE2-CG1 3.81Å; Y201-I218 HydrophobicContact CG-CD1 4.25Å
202E97.7Very high96.4Very high55 Ų5548.7 Ų48.726%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-107.3126.8175.5-175.217878.700109.3W172 K173 I175 V213 Q214 T215W172-E202 CarbonylContact C-O 3.55Å; W172-E202 VanDerWaalsContact CA-O 3.25Å; W172-E202 WeakPolarHBondContact CA-O 3.25Å; K173-E202 PolarHBondContact N-O 2.84Å; K173-E202 PolarHBondContact O-N 3.2Å; I175-E202 HydrophobicContact CD1-CB 4.07Å; I175-E202 HydrophobicContact CG1-CB 4.04Å; E202-V213 HydrophobicContact CG-CG1 3.38Å; E202-Q214 WeakPolarHBondContact CA-O 3.33Å; E202-T215 HydrophobicContact CB-CG2 4.15Å; E202-T215 HydrophobicContact CG-CG2 4.15Å
203C98.3Very high96.4Very high0 Ų047.7 Ų47.70%026%0.255CS..EExtended strand (participates in β ladder)trans-97.8130.1162178.30000109.6F144 C160 I170 S171 W172 V213 Q214F144-C203 HydrophobicContact CD2-CB 4.36Å; F144-C203 HydrophobicContact CE2-CB 3.66Å; C160-C203 HydrophobicContact CB-CB 3.57Å; C160-C203 WeakPolarHBondContact CB-SG 3.46Å; C160-C203 WeakPolarHBondContact SG-CB 3.33Å; C160-C203 CovalentContact SG-SG 2.01Å; C160-C203 PolarHBondContact SG-SG 2.85Å; I170-C203 VanDerWaalsContact CG2-SG 3.59Å; S171-C203 CarbonylContact O-C 3.57Å; S171-C203 WeakPolarHBondContact O-CA 3.46Å; W172-C203 HydrophobicContact CD2-CB 3.96Å; W172-C203 HydrophobicContact CE3-CB 3.77Å; W172-C203 HydrophobicContact CH2-CB 3.86Å; W172-C203 HydrophobicContact CZ2-CB 4.04Å; W172-C203 HydrophobicContact CZ3-CB 3.7Å; C203-V213 WeakPolarHBondContact O-CA 3.4Å; C203-Q214 PolarHBondContact N-O 3.16Å; C203-Q214 PolarHBondContact O-N 3.47Å
204T98.2Very high96.5Very high16 Ų1651.1 Ų51.110%0.09827%0.271CS..EExtended strand (participates in β ladder)trans-115.4122.6173.2-55.30000109.2I170 S171 V206 T211 V213I170-T204 CarbonylContact C-O 3.49Å; I170-T204 WeakPolarHBondContact CA-O 3.43Å; S171-T204 PolarHBondContact N-O 3.35Å; S171-T204 PolarHBondContact O-N 3.01Å; T204-V206 HydrophobicContact CG2-CG2 3.51Å; T204-T211 HydrophobicContact CG2-CG2 3.39Å; T204-V213 HydrophobicContact CG2-CG2 4.12Å
205A98.6Very high96.6Very high0 Ų052.9 Ų52.90%028%0.281CS..EExtended strand (participates in β ladder)trans-102.9121.4169.700000110P139 I141 A162 S169 I170 T211 D212P139-A205 HydrophobicContact CB-CB 4.26Å; P139-A205 WeakPolarHBondContact CG-O 3.35Å; I141-A205 HydrophobicContact CD1-CB 4.28Å; I141-A205 HydrophobicContact CG1-CB 3.82Å; A162-A205 HydrophobicContact CB-CB 3.48Å; A162-A205 VanDerWaalsContact CB-CB 3.48Å; S169-A205 WeakPolarHBondContact O-CA 3.45Å; I170-A205 HydrophobicContact CD1-CB 3.55Å; A205-T211 CarbonylContact O-C 3.54Å; A205-T211 WeakPolarHBondContact O-CA 3.41Å; A205-D212 PolarHBondContact N-O 2.76Å; A205-D212 PolarHBondContact O-N 3.15Å
206V98Very high96.8Very high48 Ų4849.6 Ų49.629%0.29127%0.268SS..EExtended strand (participates in β ladder)trans-126.6136.8-174.1-175.90000110.2P168 S169 T204 T211P168-V206 CarbonylContact C-O 3.58Å; P168-V206 WeakPolarHBondContact CA-O 3.36Å; S169-V206 PolarHBondContact N-O 2.94Å; S169-V206 PolarHBondContact O-N 2.93Å; S169-V206 PolarHBondContact OG-O 2.95Å; T204-V206 HydrophobicContact CG2-CG2 3.51Å; V206-T211 HydrophobicContact CG2-CG2 3.87Å
207N96.7Very high97Very high18 Ų1844 Ų4410%0.09624%0.243CC..  trans-127.8-173157.469.410.1000109.8V137 P139 P166 P168 I209 D210V137-N207 PolarHBondContact O-ND2 2.85Å; P139-N207 WeakPolarHBondContact CD-OD1 3.47Å; P166-N207 PolarHBondContact O-ND2 2.87Å; P168-N207 HydrophobicContact CB-CB 4.49Å; N207-I209 PolarHBondContact O-N 2.96Å; N207-I209 WeakPolarHBondContact OD1-CA 3.38Å; N207-I209 WeakPolarHBondContact OD1-CB 3.14Å; N207-I209 PolarHBondContact OD1-N 3.26Å; N207-D210 PolarHBondContact N-O 2.8Å; N207-D210 PolarHBondContact OD1-N 2.84Å
208D94.4Very high97.2Very high109 Ų10939.5 Ų39.558%0.58323%0.227SC*.SBendtrans-67.1-1.3179.763.4-29000114Q136 P166Q136-D208 PolarHBondContact NE2-OD2 2.92Å; Q136-D208 VanDerWaalsContact NE2-OD2 3.08Å; P166-D208 WeakPolarHBondContact CD-OD1 3.47Å; P166-D208 WeakPolarHBondContact CG-OD1 3.42Å
209I93.9Very high97.3Very high23 Ų2340.4 Ų40.412%0.11823%0.229CC..SBendtrans-108.5-48.4-172.1-47.3-51.9000112.6R51 Q136 P138 N207R51-I209 HydrophobicContact CG-CG2 4.29Å; R51-I209 VanDerWaalsContact NH2-CG2 3.31Å; R51-I209 PolarHBondContact NH2-O 2.82Å; R51-I209 VanDerWaalsContact NH2-O 3.08Å; Q136-I209 HydrophobicContact CB-CD1 4.08Å; Q136-I209 HydrophobicContact CB-CG1 4.11Å; Q136-I209 HydrophobicContact CG-CD1 4.17Å; P138-I209 HydrophobicContact CG-CG2 4.14Å; N207-I209 PolarHBondContact O-N 2.96Å; N207-I209 WeakPolarHBondContact OD1-CA 3.38Å; N207-I209 WeakPolarHBondContact OD1-CB 3.14Å; N207-I209 PolarHBondContact OD1-N 3.26Å
210D96.5Very high97.4Very high83 Ų8339.6 Ų39.644%0.44422%0.221SC..  trans-160-173.7-173.4-142.8-30000111.1P138 P139 N207P138-D210 HydrophobicContact CB-CB 4.11Å; P139-D210 HydrophobicContact CG-CB 4.49Å; P139-D210 WeakPolarHBondContact CG-O 3.45Å; N207-D210 PolarHBondContact N-O 2.8Å; N207-D210 PolarHBondContact OD1-N 2.84Å
211T97.9Very high97.5Very high68 Ų6837.5 Ų37.542%0.41721%0.208SC..EExtended strand (participates in β ladder)trans-137.8137.3177.9-62.50000110.4T204 A205 V206 V213T204-T211 HydrophobicContact CG2-CG2 3.39Å; A205-T211 CarbonylContact O-C 3.54Å; A205-T211 WeakPolarHBondContact O-CA 3.41Å; V206-T211 HydrophobicContact CG2-CG2 3.87Å; T211-V213 HydrophobicContact CG2-CG2 3.89Å
212D98.6Very high97.6Very high47 Ų4738.6 Ų38.625%0.25121%0.212SC..EExtended strand (participates in β ladder)trans-119.2141.8170.7-168.721.2000109.9P139 K140 I141 A205P139-D212 HydrophobicContact CG-CB 4.49Å; K140-D212 WeakPolarHBondContact CA-OD2 3.4Å; I141-D212 HydrophobicContact CG1-CB 4.4Å; I141-D212 PolarHBondContact N-OD2 2.82Å; A205-D212 PolarHBondContact N-O 2.76Å; A205-D212 PolarHBondContact O-N 3.15Å
213V98.2Very high97.6Very high62 Ų6237.7 Ų37.738%0.37621%0.214SC..EExtended strand (participates in β ladder)trans-136.2134.5-170.2-177.10000110.4E202 C203 T204 T211E202-V213 HydrophobicContact CG-CG1 3.38Å; C203-V213 WeakPolarHBondContact O-CA 3.4Å; T204-V213 HydrophobicContact CG2-CG2 4.12Å; T211-V213 HydrophobicContact CG2-CG2 3.89Å
214Q98.4Very high97.6Very high73 Ų7338.1 Ų38.134%0.34122%0.217SC..EExtended strand (participates in β ladder)trans-135.4152.8169.1-73.7-163.64800111.7I141 F144 E202 C203I141-Q214 HydrophobicContact CD1-CB 4.04Å; I141-Q214 HydrophobicContact CD1-CG 4.03Å; I141-Q214 HydrophobicContact CG2-CG 4.47Å; F144-Q214 HydrophobicContact CD1-CB 3.85Å; F144-Q214 HydrophobicContact CD2-CB 3.98Å; F144-Q214 HydrophobicContact CE1-CB 3.72Å; F144-Q214 HydrophobicContact CE2-CB 3.84Å; F144-Q214 HydrophobicContact CG-CB 3.99Å; F144-Q214 HydrophobicContact CZ-CB 3.71Å; E202-Q214 WeakPolarHBondContact CA-O 3.33Å; C203-Q214 PolarHBondContact N-O 3.16Å; C203-Q214 PolarHBondContact O-N 3.47Å
215T97.9Very high97.6Very high77 Ų7740.4 Ų40.447%0.47223%0.233SC..EExtended strand (participates in β ladder)trans-124146.8-178.557.80000112.1F144 I175 V200 Y201 E202F144-T215 VanDerWaalsContact CE1-O 3.28Å; F144-T215 WeakPolarHBondContact CE1-O 3.19Å; I175-T215 HydrophobicContact CD1-CG2 4.12Å; V200-T215 HydrophobicContact CG1-CG2 4.13Å; Y201-T215 CarbonylContact O-C 3.59Å; Y201-T215 WeakPolarHBondContact O-CA 3.5Å; E202-T215 HydrophobicContact CB-CG2 4.15Å; E202-T215 HydrophobicContact CG-CG2 4.15Å
216V98.1Very high97.5Very high1 Ų141.3 Ų41.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-138.1134.8179.159.20000110.1F144 R146 L158 W172 V200 Y201F144-V216 HydrophobicContact CE1-CB 3.81Å; F144-V216 HydrophobicContact CE1-CG1 4.37Å; F144-V216 HydrophobicContact CZ-CB 3.75Å; F144-V216 HydrophobicContact CZ-CG1 3.82Å; R146-V216 VanDerWaalsContact O-CG2 3.26Å; R146-V216 WeakPolarHBondContact O-CG2 3.33Å; L158-V216 HydrophobicContact CD1-CG1 3.62Å; L158-V216 HydrophobicContact CD2-CG1 4.44Å; L158-V216 HydrophobicContact CD2-CG2 4.32Å; W172-V216 HydrophobicContact CH2-CG1 4.29Å; W172-V216 HydrophobicContact CZ3-CG1 3.86Å; V200-V216 WeakPolarHBondContact CA-O 3.38Å; Y201-V216 PolarHBondContact N-O 3.13Å; Y201-V216 PolarHBondContact O-N 2.98Å
217D97.6Very high97.4Very high47 Ų4741.8 Ų41.825%0.25124%0.244SC..EExtended strand (participates in β ladder)trans-92.9133.1176.8-172.651.8000112.1D147 I148 G199 V200 T219D147-D217 WeakPolarHBondContact CA-O 3.34Å; D147-D217 HydrophobicContact CB-CB 4.42Å; D147-D217 PolarHBondContact OD1-N 3.5Å; I148-D217 PolarHBondContact N-O 2.83Å; G199-D217 WeakPolarHBondContact CA-OD1 3.37Å; V200-D217 HydrophobicContact CG2-CB 4.48Å; D217-T219 PolarHBondContact OD2-OG1 3.35Å
218I97.5Very high97.3Very high0 Ų049.5 Ų49.50%028%0.28CS..EExtended strand (participates in β ladder)trans-109.5105.9170-51.7-179.2000108.6I148 V150 V156 L158 I190 I193 A198 G199 Y201 V220I148-I218 HydrophobicContact CD1-CG1 4.19Å; I148-I218 HydrophobicContact CD1-CG2 4.16Å; I148-I218 HydrophobicContact CG1-CB 4.37Å; I148-I218 HydrophobicContact CG1-CG1 4.08Å; I148-I218 HydrophobicContact CG1-CG2 4.13Å; V150-I218 HydrophobicContact CG2-CG2 4.27Å; V156-I218 HydrophobicContact CG1-CD1 4.19Å; L158-I218 HydrophobicContact CD1-CD1 3.61Å; L158-I218 HydrophobicContact CD1-CG1 4.05Å; L158-I218 HydrophobicContact CG-CD1 4.4Å; I190-I218 HydrophobicContact CD1-CD1 4.14Å; I193-I218 HydrophobicContact CD1-CD1 4.41Å; I193-I218 HydrophobicContact CD1-CG2 3.71Å; A198-I218 WeakPolarHBondContact CA-O 3.33Å; G199-I218 PolarHBondContact N-O 2.91Å; G199-I218 PolarHBondContact O-N 2.98Å; Y201-I218 HydrophobicContact CD2-CB 4.36Å; Y201-I218 HydrophobicContact CD2-CD1 3.42Å; Y201-I218 VanDerWaalsContact CD2-CD1 3.42Å; Y201-I218 HydrophobicContact CD2-CG1 3.67Å; Y201-I218 HydrophobicContact CE2-CB 4.19Å; Y201-I218 HydrophobicContact CE2-CD1 3.25Å; Y201-I218 HydrophobicContact CE2-CG1 3.81Å; Y201-I218 HydrophobicContact CG-CD1 4.25Å; I218-V220 HydrophobicContact CG2-CG2 4.16Å
219T97.6Very high97.2Very high46 Ų4645 Ų4528%0.28226%0.26SS..EExtended strand (participates in β ladder)trans-88.1124169.3-63.40000109.9I148 V149 V150 D217 V249I148-T219 PolarHBondContact O-N 3.21Å; V149-T219 WeakPolarHBondContact CA-O 3.32Å; V149-T219 HydrophobicContact CG1-CG2 4.08Å; V150-T219 PolarHBondContact N-O 2.75Å; D217-T219 PolarHBondContact OD2-OG1 3.35Å; T219-V249 HydrophobicContact CG2-CG1 3.95Å
220V98.3Very high97.3Very high2 Ų254.1 Ų54.11%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-105.8116.4176.6-1770000109.5V150 E152 I193 A198 I218 Y222V150-V220 HydrophobicContact CG2-CG2 4.36Å; V150-V220 CarbonylContact O-C 3.47Å; V150-V220 WeakPolarHBondContact O-CA 3.33Å; E152-V220 HydrophobicContact CB-CG1 3.87Å; I193-V220 HydrophobicContact CD1-CG2 3.81Å; I193-V220 HydrophobicContact CG1-CG2 4.04Å; I193-V220 HydrophobicContact CG2-CG1 4.46Å; I193-V220 HydrophobicContact CG2-CG2 4.24Å; A198-V220 HydrophobicContact CB-CB 4.14Å; A198-V220 HydrophobicContact CB-CG2 3.86Å; I218-V220 HydrophobicContact CG2-CG2 4.16Å; V220-Y222 VanDerWaalsContact O-CD1 3.23Å; V220-Y222 WeakPolarHBondContact O-CD1 3.5Å; V220-Y222 WeakPolarHBondContact O-CE1 3.26Å
221N98.5Very high97.3Very high10 Ų1054.5 Ų54.55%0.05329%0.294CS..EExtended strand (participates in β ladder)trans-80.9138.3172.6-59-49.4000110.7V149 V150 N151 E152 V249 K301 L302V149-N221 WeakPolarHBondContact CG1-ND2 3.41Å; V150-N221 PolarHBondContact O-N 2.86Å; N151-N221 WeakPolarHBondContact CA-O 3.21Å; N151-N221 PolarHBondContact OD1-ND2 2.83Å; E152-N221 PolarHBondContact N-O 3.01Å; N221-V249 CarbonylContact C-O 3.56Å; N221-V249 WeakPolarHBondContact CA-O 3.32Å; N221-V249 WeakPolarHBondContact CB-O 3.44Å; N221-K301 PolarHBondContact ND2-NZ 2.91Å; N221-K301 VanDerWaalsContact ND2-NZ 3.2Å; N221-L302 VanDerWaalsContact C-CD1 3.44Å; N221-L302 HydrophobicContact CB-CD1 3.53Å
222Y98.4Very high97.2Very high25 Ų2552 Ų5210%0.09828%0.281CS..EExtended strand (participates in β ladder)trans-148.4155.1175.851-93.3000111.7E152 R195 V220 D247 V249 N300 L302E152-Y222 WeakPolarHBondContact OE2-CB 3.44Å; R195-Y222 HydrophobicContact CB-CD1 3.57Å; R195-Y222 HydrophobicContact CB-CE1 3.54Å; R195-Y222 HydrophobicContact CB-CG 4.35Å; R195-Y222 HydrophobicContact CG-CE1 4.41Å; R195-Y222 VanDerWaalsContact CZ-CG 3.43Å; V220-Y222 VanDerWaalsContact O-CD1 3.23Å; V220-Y222 WeakPolarHBondContact O-CD1 3.5Å; V220-Y222 WeakPolarHBondContact O-CE1 3.26Å; Y222-D247 WeakPolarHBondContact CE2-OD2 3.46Å; Y222-D247 PolarHBondContact OH-OD1 2.81Å; Y222-D247 PolarHBondContact OH-OD2 2.96Å; Y222-V249 HydrophobicContact CD1-CB 4.11Å; Y222-V249 HydrophobicContact CD1-CG2 4.47Å; Y222-V249 HydrophobicContact CE1-CB 3.69Å; Y222-V249 HydrophobicContact CE1-CG2 3.58Å; Y222-V249 HydrophobicContact CE2-CG2 4.5Å; Y222-V249 PolarHBondContact N-O 2.86Å; Y222-V249 WeakPolarHBondContact OH-CG2 3.14Å; Y222-N300 PolarHBondContact O-ND2 3.43Å; Y222-L302 VanDerWaalsContact CA-CD1 3.46Å; Y222-L302 VanDerWaalsContact N-CD1 3.32Å
223A98.2Very high97.1Very high37 Ų3751.3 Ų51.331%0.30628%0.284SS..EExtended strand (participates in β ladder)trans-68.8155.3177.400000111.5L302A223-L302 HydrophobicContact CB-CB 4.04Å
224P98.2Very high97Very high9 Ų948.9 Ų48.96%0.05827%0.269CS..EExtended strand (participates in β ladder)trans-62.7138.6-174.9-21.434.9000112.4A246 D247 A248 A252 A298 N300 G303 S305P224-A246 HydrophobicContact CB-CB 4.49Å; P224-D247 CarbonylContact C-O 3.5Å; P224-D247 WeakPolarHBondContact CA-O 3.23Å; P224-A248 HydrophobicContact CB-CB 3.94Å; P224-A248 HydrophobicContact CG-CB 3.98Å; P224-A252 HydrophobicContact CB-CB 4.18Å; P224-A252 HydrophobicContact CG-CB 3.88Å; P224-A298 HydrophobicContact CB-CB 3.9Å; P224-A298 HydrophobicContact CG-CB 4.5Å; P224-N300 WeakPolarHBondContact CD-OD1 3.4Å; P224-N300 HydrophobicContact CG-CB 4.1Å; P224-G303 WeakPolarHBondContact CD-O 3.39Å; P224-S305 WeakPolarHBondContact O-CB 3.36Å
225S97.4Very high96.9Very high63 Ų6346.9 Ų46.944%0.44126%0.262SS..EExtended strand (participates in β ladder)trans-115.8105.9168.7-177.90000108.7A246 D247S225-A246 WeakPolarHBondContact O-CA 3.43Å; S225-D247 PolarHBondContact N-O 3.17Å; S225-D247 PolarHBondContact O-N 3.38Å
226V97.1Very high96.7Very high20 Ų2046 Ų4612%0.12126%0.258CS..EExtended strand (participates in β ladder)trans-81.2133.6-179.5-175.40000110E245 A246 A298 S305 T307V226-E245 WeakPolarHBondContact CA-O 3.26Å; V226-A246 HydrophobicContact CG2-CB 4.01Å; V226-A298 HydrophobicContact CG2-CB 3.58Å; V226-S305 WeakPolarHBondContact CG2-O 3.45Å; V226-T307 HydrophobicContact CG1-CG2 3.49Å; V226-T307 VanDerWaalsContact CG1-CG2 3.49Å
227S95.9Very high96.5Very high58 Ų5848.3 Ų48.341%0.40628%0.282SS..PPolyproline II helixtrans-66.2158.2173.6-66.70000111.7G229 E245 T307S227-G229 PolarHBondContact O-N 3.48Å; S227-E245 PolarHBondContact N-O 3.35Å; S227-T307 PolarHBondContact O-OG1 2.99Å
228E95.3Very high96.3Very high180 Ų18050.8 Ų50.884%0.84129%0.292SS*.PPolyproline II helixtrans-59.2130.7174.4-170.9175-171.600110.7
229G91.9Very high96.3Very high15 Ų1558.3 Ų58.316%0.15532%0.32CS..PPolyproline II helixtrans-69.3146.8-179.100000111.3S227 T307S227-G229 PolarHBondContact O-N 3.48Å; G229-T307 PolarHBondContact N-OG1 2.9Å; G229-T307 VanDerWaalsContact N-OG1 3.07Å
230R95.6Very high96.2Very high213 Ų21356.1 Ų56.180%0.80431%0.307SS*.  trans-108.9113.2176-64.3-175.1-176.8-172.62.8110.1
231D96.4Very high96.1Very high92 Ų9258.5 Ų58.549%0.49232%0.322SS..  trans-58147.9174.7-66.1-11.7000111.5L310 Y312D231-L310 WeakPolarHBondContact CA-O 3.35Å; D231-L310 HydrophobicContact CB-CB 4.24Å; D231-L310 WeakPolarHBondContact CB-O 3.41Å; D231-L310 PolarHBondContact OD1-N 3.43Å; D231-Y312 HydrophobicContact CB-CE1 4.16Å
232A96.4Very high96.1Very high16 Ų1658 Ų5813%0.13232%0.319CS..EExtended strand (participates in β ladder)trans-124.3123.4-177.300000110.9V234 L242 L310 L311 Y312A232-V234 HydrophobicContact CB-CG2 4.42Å; A232-L242 HydrophobicContact CB-CD2 3.65Å; A232-L310 PolarHBondContact N-O 2.91Å; A232-L311 HydrophobicContact CB-CD1 3.91Å; A232-L311 WeakPolarHBondContact O-CA 3.4Å; A232-Y312 WeakPolarHBondContact O-CD1 3.44Å; A232-Y312 PolarHBondContact O-N 3.47Å
233G96.1Very high96Very high31 Ų3161.3 Ų61.332%0.3234%0.335SS..EExtended strand (participates in β ladder)trans-93121.1169.600000110.3Y312 V314G233-Y312 CarbonylContact C-O 3.56Å; G233-Y312 VanDerWaalsContact CA-CZ 3.46Å; G233-Y312 VanDerWaalsContact CA-O 3.32Å; G233-Y312 WeakPolarHBondContact CA-O 3.49Å; G233-V314 VanDerWaalsContact CA-CG2 3.44Å
234V96.3Very high96Very high11 Ų1159.6 Ų59.67%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-135.8132.4-177-171.30000110.6A232 Q238 V286 Y291 L311 Y312 V314A232-V234 HydrophobicContact CB-CG2 4.42Å; V234-Q238 HydrophobicContact CG1-CB 4Å; V234-V286 HydrophobicContact CB-CG2 4.31Å; V234-V286 HydrophobicContact CG1-CB 4.18Å; V234-V286 HydrophobicContact CG1-CG2 3.78Å; V234-Y291 WeakPolarHBondContact O-CE1 3.43Å; V234-Y291 PolarHBondContact O-OH 3.31Å; V234-L311 HydrophobicContact CB-CD1 4.38Å; V234-L311 HydrophobicContact CG2-CD1 3.72Å; V234-Y312 PolarHBondContact N-O 3.28Å; V234-V314 PolarHBondContact O-N 3.33Å
235T95.4Very high96Very high31 Ų3164 Ų6419%0.1934%0.341CS..  trans-72.8141.2174.3-54.60000110.1G237 Q238 V314T235-G237 PolarHBondContact O-N 3.39Å; T235-Q238 WeakPolarHBondContact O-CB 3.46Å; T235-Q238 PolarHBondContact O-N 2.75Å; T235-Q238 VanDerWaalsContact O-N 3.15Å; T235-V314 PolarHBondContact OG1-O 3.34Å
236P94.9Very high96Very high60 Ų6061.1 Ų61.139%0.3932%0.321SS..THydrogen-bonded Turntrans-55.9141.8177.7-23.133.4000110.9Q238 V286 Y291 V313P236-Q238 VanDerWaalsContact C-N 3.32Å; P236-V286 WeakPolarHBondContact CA-O 3.44Å; P236-Y291 WeakPolarHBondContact CD-OH 3.39Å; P236-Y291 HydrophobicContact CG-CE2 4.44Å; P236-Y291 WeakPolarHBondContact CG-OH 3.23Å; P236-V313 HydrophobicContact CG-CG2 4.12Å
237G92.6Very high96Very high49 Ų4964 Ų6451%0.50534%0.336SS..THydrogen-bonded Turntrans92.2-17.3-175.700000114.9T235 N285 V286T235-G237 PolarHBondContact O-N 3.39Å; G237-N285 WeakPolarHBondContact CA-OD1 3.16Å; G237-N285 PolarHBondContact O-OD1 3.43Å; G237-V286 PolarHBondContact N-O 2.99Å
238Q95.1Very high96.1Very high99 Ų9961.8 Ų61.846%0.46332%0.321SS..SBendtrans-98.4167.4-173.5-62.5-169.1-16.700112.9V234 T235 P236 V286V234-Q238 HydrophobicContact CG1-CB 4Å; T235-Q238 WeakPolarHBondContact O-CB 3.46Å; T235-Q238 PolarHBondContact O-N 2.75Å; T235-Q238 VanDerWaalsContact O-N 3.15Å; P236-Q238 VanDerWaalsContact C-N 3.32Å; Q238-V286 WeakPolarHBondContact O-CG2 3.48Å; Q238-V286 PolarHBondContact O-N 2.83Å
239R96Very high96.2Very high157 Ų15755.3 Ų55.359%0.59229%0.294SS*.  trans-77.3127.3174.9-174.9-176.4-178.5173.52.8110.3T282 F283R239-T282 HydrophobicContact CG-CG2 4.16Å; R239-F283 VanDerWaalsContact CA-O 3.27Å; R239-F283 WeakPolarHBondContact CA-O 3.27Å; R239-F283 WeakPolarHBondContact CG-O 3.35Å
240G95.8Very high96.5Very high1 Ų157 Ų571%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-111.5151.5173.300000111.9T282 F283G240-T282 WeakPolarHBondContact O-CA 3.38Å; G240-F283 PolarHBondContact N-O 3.11Å; G240-F283 PolarHBondContact O-N 3.42Å
241V97Very high96.5Very high51 Ų5153.9 Ų53.931%0.30930%0.296SS..EExtended strand (participates in β ladder)trans-141.4131.8174.8-175.20000109.5E243 K280 L281 T282V241-E243 HydrophobicContact CG1-CG 3.86Å; V241-K280 HydrophobicContact CG1-CB 4.41Å; V241-L281 WeakPolarHBondContact CA-O 2.96Å; V241-T282 HydrophobicContact CG2-CG2 4.34Å
242L97.6Very high96.6Very high0 Ų050 Ų500%028%0.277CS..EExtended strand (participates in β ladder)trans-110.8136.1164.9-61.4176.7000108.8A232 W256 K280 L281 F283 Y294 F309A232-L242 HydrophobicContact CB-CD2 3.65Å; L242-W256 HydrophobicContact CB-CH2 3.68Å; L242-W256 HydrophobicContact CB-CZ3 3.9Å; L242-W256 HydrophobicContact CD1-CZ3 4.16Å; L242-K280 WeakPolarHBondContact O-CA 3.29Å; L242-L281 HydrophobicContact CB-CB 4.47Å; L242-L281 PolarHBondContact N-O 3.31Å; L242-L281 PolarHBondContact O-N 3.4Å; L242-F283 HydrophobicContact CD1-CE2 4.21Å; L242-F283 HydrophobicContact CD1-CZ 4.48Å; L242-F283 HydrophobicContact CG-CE2 4.22Å; L242-Y294 HydrophobicContact CD1-CD1 4.38Å; L242-Y294 HydrophobicContact CD1-CD2 3.78Å; L242-Y294 HydrophobicContact CD1-CG 3.69Å; L242-F309 HydrophobicContact CB-CD1 4.48Å; L242-F309 HydrophobicContact CD1-CB 3.94Å; L242-F309 HydrophobicContact CD1-CG 4.34Å; L242-F309 HydrophobicContact CD2-CB 3.96Å; L242-F309 HydrophobicContact CD2-CD1 4.22Å; L242-F309 HydrophobicContact CD2-CG 4.32Å; L242-F309 HydrophobicContact CG-CB 4.48Å
243E97.4Very high96.6Very high94 Ų9455.2 Ų55.244%0.43930%0.303SS..EExtended strand (participates in β ladder)trans-122.1128.8-176.5-60.1-167.1155.800110.3V241 L278 K280 F309V241-E243 HydrophobicContact CG1-CG 3.86Å; E243-L278 HydrophobicContact CB-CD1 4.29Å; E243-K280 HydrophobicContact CG-CD 4.25Å; E243-K280 HydrophobicContact CG-CG 4.13Å; E243-K280 WeakPolarHBondContact OE1-CD 3.44Å; E243-K280 WeakPolarHBondContact OE1-CE 3.35Å; E243-K280 IonicContact OE1-NZ 2.67Å; E243-K280 PolarHBondContact OE1-NZ 2.87Å; E243-F309 WeakPolarHBondContact O-CE1 3.39Å; E243-F309 WeakPolarHBondContact O-CZ 3.32Å
244C97.4Very high96.7Very high2 Ų254.4 Ų54.41%0.01429%0.291CS..EExtended strand (participates in β ladder)trans-124.8122-178.6179.70000109.5W256 S279 C296 F309C244-W256 HydrophobicContact CB-CH2 3.79Å; C244-W256 HydrophobicContact CB-CZ2 3.5Å; C244-W256 VanDerWaalsContact CB-CZ2 3.5Å; C244-S279 PolarHBondContact N-O 2.74Å; C244-S279 PolarHBondContact O-N 2.81Å; C244-C296 HydrophobicContact CB-CB 3.54Å; C244-C296 WeakPolarHBondContact CB-SG 3.45Å; C244-C296 WeakPolarHBondContact SG-CB 3.19Å; C244-C296 CovalentContact SG-SG 2.03Å; C244-C296 PolarHBondContact SG-SG 2.57Å; C244-F309 HydrophobicContact CB-CE2 4.35Å; C244-F309 HydrophobicContact CB-CZ 3.87Å
245E97.9Very high96.7Very high101 Ų10155.9 Ų55.947%0.47230%0.297SS..EExtended strand (participates in β ladder)trans-115.8135.7-179.2-173.4174.6-166.900110V226 S227 S277 L278V226-E245 WeakPolarHBondContact CA-O 3.26Å; S227-E245 PolarHBondContact N-O 3.35Å; E245-S277 CarbonylContact C-O 3.59Å; E245-S277 VanDerWaalsContact CA-O 3.29Å; E245-S277 WeakPolarHBondContact CA-O 3.43Å; E245-L278 HydrophobicContact CB-CD1 4.23Å
246A97.7Very high96.8Very high3 Ų354.4 Ų54.43%0.02529%0.288CS..EExtended strand (participates in β ladder)trans-133.4131177.400000111.8P224 S225 V226 F254 S277 A298P224-A246 HydrophobicContact CB-CB 4.49Å; S225-A246 WeakPolarHBondContact O-CA 3.43Å; V226-A246 HydrophobicContact CG2-CB 4.01Å; A246-F254 HydrophobicContact CB-CE1 3.81Å; A246-F254 HydrophobicContact CB-CZ 3.6Å; A246-S277 PolarHBondContact N-O 2.03Å; A246-S277 VanDerWaalsContact O-CB 3.27Å; A246-S277 WeakPolarHBondContact O-CB 3.25Å; A246-A298 HydrophobicContact CB-CB 3.51Å
247D97.4Very high97Very high79 Ų7954.2 Ų54.242%0.42228%0.28SS..EExtended strand (participates in β ladder)trans-87.8116.9169.6-179.843.4000109.5R195 Y222 P224 S225R195-D247 IonicContact NH1-OD2 3.53Å; R195-D247 PolarHBondContact NH1-OD2 3.49Å; Y222-D247 WeakPolarHBondContact CE2-OD2 3.46Å; Y222-D247 PolarHBondContact OH-OD1 2.81Å; Y222-D247 PolarHBondContact OH-OD2 2.96Å; P224-D247 CarbonylContact C-O 3.5Å; P224-D247 WeakPolarHBondContact CA-O 3.23Å; S225-D247 PolarHBondContact N-O 3.17Å; S225-D247 PolarHBondContact O-N 3.38Å
248A97.4Very high97.1Very high12 Ų1253.6 Ų53.610%0.09926%0.263CS..EExtended strand (participates in β ladder)trans-155.3140.5-175.500000112.5P224 P250 A252P224-A248 HydrophobicContact CB-CB 3.94Å; P224-A248 HydrophobicContact CG-CB 3.98Å; A248-P250 CarbonylContact C-O 3.57Å; A248-P250 CarbonylContact O-C 3.56Å; A248-A252 HydrophobicContact CB-CB 3.86Å
249V97.9Very high96.7Very high44 Ų4454.4 Ų54.427%0.26727%0.27SS..EExtended strand (participates in β ladder)trans-131.6121.3167.4176.40000109.7T219 N221 Y222T219-V249 HydrophobicContact CG2-CG1 3.95Å; N221-V249 CarbonylContact C-O 3.56Å; N221-V249 WeakPolarHBondContact CA-O 3.32Å; N221-V249 WeakPolarHBondContact CB-O 3.44Å; Y222-V249 HydrophobicContact CD1-CB 4.11Å; Y222-V249 HydrophobicContact CD1-CG2 4.47Å; Y222-V249 HydrophobicContact CE1-CB 3.69Å; Y222-V249 HydrophobicContact CE1-CG2 3.58Å; Y222-V249 HydrophobicContact CE2-CG2 4.5Å; Y222-V249 PolarHBondContact N-O 2.86Å; Y222-V249 WeakPolarHBondContact OH-CG2 3.14Å
250P97.6Very high96.4Very high51 Ų5154.1 Ų54.133%0.33128%0.281SS..SBendcis-59.9164.7-9.1-20.934.2000112.6A248 N300 K301A248-P250 CarbonylContact C-O 3.57Å; A248-P250 CarbonylContact O-C 3.56Å; P250-N300 PolarHBondContact O-ND2 2.6Å; P250-K301 HydrophobicContact CG-CD 4.07Å
251E96.4Very high96.3Very high147 Ų14763.5 Ų63.569%0.68732%0.316SS*.PPolyproline II helixtrans-49.4144177.6-67.4-171.8166.500111.6
252A97.4Very high96.2Very high10 Ų1066.5 Ų66.58%0.08332%0.321CS..PPolyproline II helixtrans-89.8142.7-176.300000111.9P224 A248 A298 I299P224-A252 HydrophobicContact CB-CB 4.18Å; P224-A252 HydrophobicContact CG-CB 3.88Å; A248-A252 HydrophobicContact CB-CB 3.86Å; A252-A298 HydrophobicContact CB-CB 3.99Å; A252-I299 CarbonylContact C-O 3.49Å; A252-I299 VanDerWaalsContact CA-O 3.26Å; A252-I299 WeakPolarHBondContact CA-O 3.37Å
253D97.2Very high96.1Very high127 Ų12767.1 Ų67.168%0.67933%0.325SS*.EExtended strand (participates in β ladder)trans-79.6147162.5-70.4-44.6000109.9A298 I299D253-A298 CarbonylContact O-C 3.47Å; D253-A298 WeakPolarHBondContact O-CA 3.39Å; D253-I299 PolarHBondContact N-O 2.91Å; D253-I299 PolarHBondContact O-N 3.43Å
254F97.7Very high95.8Very high14 Ų1468.4 Ų68.46%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-115.7140-177.4-72.7-89.7000113A246 S277 S279 C296 V297 A298A246-F254 HydrophobicContact CB-CE1 3.81Å; A246-F254 HydrophobicContact CB-CZ 3.6Å; F254-S277 VanDerWaalsContact CZ-O 3.32Å; F254-S277 WeakPolarHBondContact CZ-O 3.41Å; F254-S279 VanDerWaalsContact CG-CB 3.43Å; F254-C296 VanDerWaalsContact CD1-SG 3.59Å; F254-V297 WeakPolarHBondContact CA-O 3.05Å; F254-A298 HydrophobicContact CD1-CB 4.02Å; F254-A298 HydrophobicContact CE1-CB 3.76Å; F254-A298 HydrophobicContact CZ-CB 4.31Å
255E97.3Very high95.5Very high41 Ų4173.2 Ų73.219%0.19236%0.355CS..EExtended strand (participates in β ladder)trans-131.3138.2173.5-58.4-169.2145.700111.1Y257 R262 C296 V297 I299E255-Y257 HydrophobicContact CB-CD2 4.41Å; E255-Y257 HydrophobicContact CB-CE2 3.6Å; E255-Y257 PolarHBondContact OE2-OH 3.39Å; E255-R262 IonicContact OE1-CZ 3.29Å; E255-R262 IonicContact OE1-NE 3.69Å; E255-R262 PolarHBondContact OE1-NE 2.84Å; E255-R262 IonicContact OE1-NH1 2.81Å; E255-R262 IonicContact OE1-NH2 3.56Å; E255-R262 PolarHBondContact OE1-NH2 2.91Å; E255-C296 CarbonylContact O-C 3.57Å; E255-C296 WeakPolarHBondContact O-CA 3.42Å; E255-V297 PolarHBondContact N-O 2.87Å; E255-V297 PolarHBondContact O-N 2.97Å; E255-I299 HydrophobicContact CG-CD1 4.39Å
256W97.9Very high94.7Very high0 Ų071.3 Ų71.30%036%0.363CS..EExtended strand (participates in β ladder)trans-110.2142.2176.4-73.888.6000111.1L242 C244 R262 I263 I272 S279 L281 T295 C296 F309L242-W256 HydrophobicContact CB-CH2 3.68Å; L242-W256 HydrophobicContact CB-CZ3 3.9Å; L242-W256 HydrophobicContact CD1-CZ3 4.16Å; C244-W256 HydrophobicContact CB-CH2 3.79Å; C244-W256 HydrophobicContact CB-CZ2 3.5Å; C244-W256 VanDerWaalsContact CB-CZ2 3.5Å; W256-R262 WeakPolarHBondContact O-CA 3.27Å; W256-I263 HydrophobicContact CB-CB 4.25Å; W256-I263 HydrophobicContact CB-CD1 4.23Å; W256-I263 PolarHBondContact O-N 3.01Å; W256-I272 HydrophobicContact CB-CD1 4.15Å; W256-I272 HydrophobicContact CG-CD1 4.37Å; W256-S279 PolarHBondContact NE1-OG 2.82Å; W256-L281 HydrophobicContact CB-CD2 4.4Å; W256-L281 HydrophobicContact CD2-CB 3.8Å; W256-L281 HydrophobicContact CD2-CD2 4Å; W256-L281 HydrophobicContact CD2-CG 4.49Å; W256-L281 HydrophobicContact CE3-CB 4.11Å; W256-L281 HydrophobicContact CE3-CD2 3.78Å; W256-L281 HydrophobicContact CG-CB 4.24Å; W256-L281 HydrophobicContact CG-CD2 4.28Å; W256-L281 HydrophobicContact CH2-CB 4.31Å; W256-L281 HydrophobicContact CZ2-CB 4.03Å; W256-L281 HydrophobicContact CZ3-CB 4.35Å; W256-L281 HydrophobicContact CZ3-CD2 4.37Å; W256-T295 CarbonylContact C-O 3.4Å; W256-T295 WeakPolarHBondContact CA-O 3.3Å; W256-C296 HydrophobicContact CD2-CB 4.19Å; W256-C296 HydrophobicContact CE3-CB 4.05Å; W256-C296 HydrophobicContact CH2-CB 3.94Å; W256-C296 HydrophobicContact CZ2-CB 4.07Å; W256-C296 HydrophobicContact CZ3-CB 3.93Å; W256-F309 HydrophobicContact CH2-CD2 4.02Å; W256-F309 HydrophobicContact CH2-CE1 4.46Å; W256-F309 AromaticContact CH2-CE2 3.54Å; W256-F309 HydrophobicContact CH2-CE2 3.54Å; W256-F309 AromaticContact CH2-CZ 3.79Å; W256-F309 HydrophobicContact CH2-CZ 3.79Å; W256-F309 AromaticContact CZ3-CD2 3.6Å; W256-F309 HydrophobicContact CZ3-CD2 3.6Å; W256-F309 AromaticContact CZ3-CE2 3.51Å; W256-F309 HydrophobicContact CZ3-CE2 3.51Å; W256-F309 HydrophobicContact CZ3-CG 4.39Å; W256-F309 HydrophobicContact CZ3-CZ 4.23Å
257Y97.4Very high94.1Very high56 Ų5677.2 Ų77.222%0.2239%0.388CS..EExtended strand (participates in β ladder)trans-133147-179.8-65.9-99.9000110.5E255 R261 R262 Y294 T295 V297E255-Y257 HydrophobicContact CB-CD2 4.41Å; E255-Y257 HydrophobicContact CB-CE2 3.6Å; E255-Y257 PolarHBondContact OE2-OH 3.39Å; Y257-R261 CarbonylContact C-O 3.57Å; Y257-R261 VanDerWaalsContact CA-O 3.25Å; Y257-R261 WeakPolarHBondContact CA-O 3.29Å; Y257-R262 HydrophobicContact CD1-CB 4.06Å; Y257-R262 HydrophobicContact CE1-CB 3.67Å; Y257-R262 HydrophobicContact CE1-CG 4.17Å; Y257-Y294 CarbonylContact O-C 3.6Å; Y257-Y294 VanDerWaalsContact O-CA 3.27Å; Y257-Y294 WeakPolarHBondContact O-CA 3.36Å; Y257-T295 PolarHBondContact N-O 2.82Å; Y257-T295 PolarHBondContact O-N 2.6Å; Y257-V297 HydrophobicContact CD2-CG2 3.91Å; Y257-V297 HydrophobicContact CE2-CB 4.38Å; Y257-V297 HydrophobicContact CE2-CG2 3.82Å
258K95.4Very high93.4Very high37 Ų3778.9 Ų78.916%0.16140%0.397CS..EExtended strand (participates in β ladder)trans-131.2127.2166.6-177.5-172.7-172173.60108.4N260 R261 I263 G289 D290 Y294K258-N260 PolarHBondContact O-N 2.88Å; K258-N260 VanDerWaalsContact O-N 3.16Å; K258-R261 PolarHBondContact N-O 2.82Å; K258-R261 WeakPolarHBondContact O-CB 3.32Å; K258-R261 PolarHBondContact O-N 2.84Å; K258-I263 HydrophobicContact CB-CD1 4.03Å; K258-I263 HydrophobicContact CB-CG1 4.36Å; K258-G289 PolarHBondContact NZ-O 2.91Å; K258-D290 VanDerWaalsContact NZ-CA 3.33Å; K258-D290 PolarHBondContact NZ-O 2.84Å; K258-Y294 HydrophobicContact CB-CD1 3.98Å; K258-Y294 HydrophobicContact CB-CE1 3.8Å; K258-Y294 HydrophobicContact CD-CE1 3.79Å; K258-Y294 WeakPolarHBondContact CD-OH 3.44Å; K258-Y294 WeakPolarHBondContact CE-OH 3.49Å; K258-Y294 HydrophobicContact CG-CD1 4.37Å; K258-Y294 HydrophobicContact CG-CE1 3.94Å; K258-Y294 PolarHBondContact NZ-OH 2.54Å; K258-Y294 VanDerWaalsContact NZ-OH 3.13Å
259D87.9Confident93Very high115 Ų11580.5 Ų80.562%0.61541%0.414SS*.THydrogen-bonded Turntrans48.643.3-177.1-55.4-43.1000113R261D259-R261 PolarHBondContact O-N 3.35Å
260N88.6Confident92.8Very high151 Ų15178.9 Ų78.981%0.80740%0.404SS*.THydrogen-bonded Turntrans63.413.1-175.7-57.3-42.3000116.1K258K258-N260 PolarHBondContact O-N 2.88Å; K258-N260 VanDerWaalsContact O-N 3.16Å
261R93.1Very high92.8Very high199 Ų19979.1 Ų79.175%0.75140%0.401SS*.EExtended strand (participates in β ladder)trans-103.8129.2173-62.6-176.5179.5-171.30.9110.1Y257 K258 D259 I263Y257-R261 CarbonylContact C-O 3.57Å; Y257-R261 VanDerWaalsContact CA-O 3.25Å; Y257-R261 WeakPolarHBondContact CA-O 3.29Å; K258-R261 PolarHBondContact N-O 2.82Å; K258-R261 WeakPolarHBondContact O-CB 3.32Å; K258-R261 PolarHBondContact O-N 2.84Å; D259-R261 PolarHBondContact O-N 3.35Å; R261-I263 PolarHBondContact O-N 2.88Å
262R95.4Very high92.8Very high113 Ų11373.2 Ų73.243%0.42637%0.374SS..EExtended strand (participates in β ladder)trans-65.7130.9178.3-169.4176.1-178.2-154.65.3110.3E255 W256 Y257 F264E255-R262 IonicContact OE1-CZ 3.29Å; E255-R262 IonicContact OE1-NE 3.69Å; E255-R262 PolarHBondContact OE1-NE 2.84Å; E255-R262 IonicContact OE1-NH1 2.81Å; E255-R262 IonicContact OE1-NH2 3.56Å; E255-R262 PolarHBondContact OE1-NH2 2.91Å; W256-R262 WeakPolarHBondContact O-CA 3.27Å; Y257-R262 HydrophobicContact CD1-CB 4.06Å; Y257-R262 HydrophobicContact CE1-CB 3.67Å; Y257-R262 HydrophobicContact CE1-CG 4.17Å; R262-F264 HydrophobicContact CB-CE2 4.39Å; R262-F264 HydrophobicContact CB-CZ 4.4Å; R262-F264 HydrophobicContact CG-CE1 4.46Å; R262-F264 HydrophobicContact CG-CZ 4.28Å
263I95.3Very high92.7Very high14 Ų1476.1 Ų76.17%0.07239%0.387CS..EExtended strand (participates in β ladder)trans-89.4130.8172.4-54173.9000107.6W256 K258 R261 M270 I272 L281 Y294W256-I263 HydrophobicContact CB-CB 4.25Å; W256-I263 HydrophobicContact CB-CD1 4.23Å; W256-I263 PolarHBondContact O-N 3.01Å; K258-I263 HydrophobicContact CB-CD1 4.03Å; K258-I263 HydrophobicContact CB-CG1 4.36Å; R261-I263 PolarHBondContact O-N 2.88Å; I263-M270 HydrophobicContact CD1-SD 4.37Å; I263-M270 HydrophobicContact CG2-CE 4.2Å; I263-M270 HydrophobicContact CG2-SD 4.15Å; I263-I272 HydrophobicContact CB-CD1 4.42Å; I263-I272 HydrophobicContact CG2-CD1 4.15Å; I263-L281 HydrophobicContact CD1-CD2 3.86Å; I263-L281 HydrophobicContact CG2-CD1 4.39Å; I263-Y294 HydrophobicContact CD1-CD1 3.68Å; I263-Y294 HydrophobicContact CD1-CE1 3.62Å
264F92.5Very high92.7Very high121 Ų12174 Ų7453%0.53138%0.376SS..PPolyproline II helixtrans-103.3146.4174.1-63.9-82.5000109.7R262 G266 F267R262-F264 HydrophobicContact CB-CE2 4.39Å; R262-F264 HydrophobicContact CB-CZ 4.4Å; R262-F264 HydrophobicContact CG-CE1 4.46Å; R262-F264 HydrophobicContact CG-CZ 4.28Å; F264-G266 PolarHBondContact O-N 2.97Å; F264-F267 VanDerWaalsContact O-CB 3.24Å; F264-F267 WeakPolarHBondContact O-CB 3.46Å; F264-F267 PolarHBondContact O-N 2.81Å
265N89.9Confident92.4Very high102 Ų10278 Ų7855%0.54540%0.402SS..THydrogen-bonded Turntrans-57.3135.1179.9-171.420.9000111.4F267 E271 I272N265-F267 VanDerWaalsContact C-N 3.32Å; N265-E271 WeakPolarHBondContact OD1-CA 3.46Å; N265-I272 HydrophobicContact CB-CB 4.26Å; N265-I272 PolarHBondContact ND2-O 3.23Å; N265-I272 PolarHBondContact OD1-N 3.05Å; N265-I272 PolarHBondContact OD1-O 3.23Å
266G81.8Confident92.2Very high62 Ų6277.7 Ų77.764%0.63941%0.409SS*.THydrogen-bonded Turntrans81.33.6179.700000115.2F264 M270F264-G266 PolarHBondContact O-N 2.97Å; G266-M270 CarbonylContact C-O 3.57Å; G266-M270 WeakPolarHBondContact CA-O 3.2Å; G266-M270 PolarHBondContact N-O 3.46Å; G266-M270 VanDerWaalsContact N-O 3.11Å
267F84Confident92.1Very high126 Ų12680.5 Ų80.555%0.55343%0.429SS*.SBendtrans-79.8133.4177.8-174.5-100.2000111.3F264 N265 G269 M270F264-F267 VanDerWaalsContact O-CB 3.24Å; F264-F267 WeakPolarHBondContact O-CB 3.46Å; F264-F267 PolarHBondContact O-N 2.81Å; N265-F267 VanDerWaalsContact C-N 3.32Å; F267-G269 VanDerWaalsContact C-N 3.34Å; F267-G269 PolarHBondContact O-N 2.94Å; F267-M270 HydrophobicContact CD1-CE 4.06Å; F267-M270 VanDerWaalsContact O-CB 3.3Å; F267-M270 WeakPolarHBondContact O-CB 3.1Å; F267-M270 PolarHBondContact O-N 2.61Å
268D84.2Confident92.1Very high114 Ų11480 Ų8061%0.6143%0.43SS*.THydrogen-bonded Turntrans5242.8167.6-154.319.8000115.3M270D268-M270 HydrophobicContact CB-CE 3.97Å; D268-M270 PolarHBondContact O-N 2.8Å
269G88.4Confident92.2Very high46 Ų4678.2 Ų78.247%0.47442%0.422SS..THydrogen-bonded Turntrans72.714.5179.900000114.6F267 Y284F267-G269 VanDerWaalsContact C-N 3.34Å; F267-G269 PolarHBondContact O-N 2.94Å; G269-Y284 WeakPolarHBondContact O-CD2 3.24Å; G269-Y284 PolarHBondContact O-N 2.87Å; G269-Y284 VanDerWaalsContact O-N 3.07Å
270M94.5Very high92.6Very high11 Ų1176.1 Ų76.15%0.05441%0.408CS..EExtended strand (participates in β ladder)trans-104.1149.8173.9-63175.2-88.100112.6I263 G266 F267 D268 L281 T282 F283I263-M270 HydrophobicContact CD1-SD 4.37Å; I263-M270 HydrophobicContact CG2-CE 4.2Å; I263-M270 HydrophobicContact CG2-SD 4.15Å; G266-M270 CarbonylContact C-O 3.57Å; G266-M270 WeakPolarHBondContact CA-O 3.2Å; G266-M270 PolarHBondContact N-O 3.46Å; G266-M270 VanDerWaalsContact N-O 3.11Å; F267-M270 HydrophobicContact CD1-CE 4.06Å; F267-M270 VanDerWaalsContact O-CB 3.3Å; F267-M270 WeakPolarHBondContact O-CB 3.1Å; F267-M270 PolarHBondContact O-N 2.61Å; D268-M270 HydrophobicContact CB-CE 3.97Å; D268-M270 PolarHBondContact O-N 2.8Å; M270-L281 HydrophobicContact CB-CD1 4.01Å; M270-L281 HydrophobicContact CG-CD1 4.43Å; M270-L281 HydrophobicContact SD-CD1 4.21Å; M270-T282 CarbonylContact C-O 3.56Å; M270-T282 WeakPolarHBondContact CA-O 3.42Å; M270-F283 HydrophobicContact CG-CD1 3.57Å; M270-F283 HydrophobicContact CG-CE1 3.77Å; M270-F283 HydrophobicContact CG-CG 4.34Å; M270-F283 HydrophobicContact SD-CD1 3.89Å; M270-F283 HydrophobicContact SD-CE1 3.42Å; M270-F283 WeakPolarHBondContact SD-CE1 3.41Å; M270-F283 HydrophobicContact SD-CZ 4.19Å
271E96.3Very high93.1Very high56 Ų5669 Ų6926%0.26237%0.369SS..EExtended strand (participates in β ladder)trans-131.5135.3174.7-175.9-179.5-152.900110.6N265 I273 L281 T282 Y284N265-E271 WeakPolarHBondContact OD1-CA 3.46Å; E271-I273 HydrophobicContact CG-CD1 4.37Å; E271-I273 HydrophobicContact CG-CG1 3.99Å; E271-L281 WeakPolarHBondContact O-CA 2.92Å; E271-T282 PolarHBondContact N-O 3.23Å; E271-T282 PolarHBondContact O-N 2.86Å; E271-Y284 HydrophobicContact CB-CE2 3.92Å; E271-Y284 PolarHBondContact OE2-OH 3.45Å
272I97.1Very high93.3Very high22 Ų2259.7 Ų59.711%0.11333%0.334CS..EExtended strand (participates in β ladder)trans-110.5122.6174.2-60.7169.5000108.5W256 I263 N265 K280 L281W256-I272 HydrophobicContact CB-CD1 4.15Å; W256-I272 HydrophobicContact CG-CD1 4.37Å; I263-I272 HydrophobicContact CB-CD1 4.42Å; I263-I272 HydrophobicContact CG2-CD1 4.15Å; N265-I272 HydrophobicContact CB-CB 4.26Å; N265-I272 PolarHBondContact ND2-O 3.23Å; N265-I272 PolarHBondContact OD1-N 3.05Å; N265-I272 PolarHBondContact OD1-O 3.23Å; I272-K280 WeakPolarHBondContact CA-O 3.27Å; I272-L281 HydrophobicContact CD1-CD1 4.4Å; I272-L281 HydrophobicContact CG1-CD1 3.7Å
273I95.8Very high93.3Very high71 Ų7154.4 Ų54.436%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-120.9122.1175-57.5176.8000108.3E271 S279 K280E271-I273 HydrophobicContact CG-CD1 4.37Å; E271-I273 HydrophobicContact CG-CG1 3.99Å; I273-S279 WeakPolarHBondContact O-CA 3.5Å; I273-K280 PolarHBondContact N-O 3.07Å; I273-K280 PolarHBondContact O-N 2.86Å
274N95.4Very high93.3Very high84 Ų8459.6 Ų59.645%0.44933%0.334SS..EExtended strand (participates in β ladder)trans-107.7126.9175.7-60.7-26.6000109.2S279N274-S279 VanDerWaalsContact OD1-CB 3.25Å; N274-S279 WeakPolarHBondContact OD1-CB 3.25Å; N274-S279 PolarHBondContact OD1-OG 2.98Å
275T93.2Very high93.4Very high98 Ų9859 Ų5960%0.60134%0.337SS*.EExtended strand (participates in β ladder)trans-139.499.6-178.6-53.20000109.4S277 L278T275-S277 PolarHBondContact O-N 3.16Å; T275-L278 PolarHBondContact N-O 2.85Å; T275-L278 PolarHBondContact O-N 2.87Å
276G92.1Very high93.7Very high34 Ų3454.3 Ų54.335%0.35131%0.311SS..THydrogen-bonded Turntrans56.9-120.6-177.700000111.6L278G276-L278 VanDerWaalsContact C-N 3.27Å; G276-L278 PolarHBondContact O-N 2.81Å
277S95.6Very high94.2Very high59 Ų5954 Ų5441%0.41330%0.3SS..THydrogen-bonded Turntrans-76.1-2.4178.558.50000115.3E245 A246 F254 T275E245-S277 CarbonylContact C-O 3.59Å; E245-S277 VanDerWaalsContact CA-O 3.29Å; E245-S277 WeakPolarHBondContact CA-O 3.43Å; A246-S277 PolarHBondContact N-O 2.03Å; A246-S277 VanDerWaalsContact O-CB 3.27Å; A246-S277 WeakPolarHBondContact O-CB 3.25Å; F254-S277 VanDerWaalsContact CZ-O 3.32Å; F254-S277 WeakPolarHBondContact CZ-O 3.41Å; T275-S277 PolarHBondContact O-N 3.16Å
278L96.8Very high94.6Very high44 Ų4454.4 Ų54.423%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-119.9131.4-171.3-175.765.3000112.6E243 E245 T275 G276 K280E243-L278 HydrophobicContact CB-CD1 4.29Å; E245-L278 HydrophobicContact CB-CD1 4.23Å; T275-L278 PolarHBondContact N-O 2.85Å; T275-L278 PolarHBondContact O-N 2.87Å; G276-L278 VanDerWaalsContact C-N 3.27Å; G276-L278 PolarHBondContact O-N 2.81Å; L278-K280 HydrophobicContact CD2-CG 4.44Å; L278-K280 HydrophobicContact CG-CG 4.3Å
279S97.8Very high95Very high0 Ų051.5 Ų51.50%031%0.305CS..EExtended strand (participates in β ladder)trans-117.8133.5168.9-1740000111C244 F254 W256 I273 N274C244-S279 PolarHBondContact N-O 2.74Å; C244-S279 PolarHBondContact O-N 2.81Å; F254-S279 VanDerWaalsContact CG-CB 3.43Å; W256-S279 PolarHBondContact NE1-OG 2.82Å; I273-S279 WeakPolarHBondContact O-CA 3.5Å; N274-S279 VanDerWaalsContact OD1-CB 3.25Å; N274-S279 WeakPolarHBondContact OD1-CB 3.25Å; N274-S279 PolarHBondContact OD1-OG 2.98Å
280K97.6Very high95.3Very high72 Ų7249.7 Ų49.731%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-119.4124.9177.6-56.2-165.2-177.4-157.60110.6V241 L242 E243 I272 I273 L278V241-K280 HydrophobicContact CG1-CB 4.41Å; L242-K280 WeakPolarHBondContact O-CA 3.29Å; E243-K280 HydrophobicContact CG-CD 4.25Å; E243-K280 HydrophobicContact CG-CG 4.13Å; E243-K280 WeakPolarHBondContact OE1-CD 3.44Å; E243-K280 WeakPolarHBondContact OE1-CE 3.35Å; E243-K280 IonicContact OE1-NZ 2.67Å; E243-K280 PolarHBondContact OE1-NZ 2.87Å; I272-K280 WeakPolarHBondContact CA-O 3.27Å; I273-K280 PolarHBondContact N-O 3.07Å; I273-K280 PolarHBondContact O-N 2.86Å; L278-K280 HydrophobicContact CD2-CG 4.44Å; L278-K280 HydrophobicContact CG-CG 4.3Å
281L97.6Very high95.4Very high0 Ų051.1 Ų51.10%029%0.289CS..EExtended strand (participates in β ladder)trans-99.7109167.2175.663.4000108.5V241 L242 W256 I263 M270 E271 I272 F283 Y294V241-L281 WeakPolarHBondContact CA-O 2.96Å; L242-L281 HydrophobicContact CB-CB 4.47Å; L242-L281 PolarHBondContact N-O 3.31Å; L242-L281 PolarHBondContact O-N 3.4Å; W256-L281 HydrophobicContact CB-CD2 4.4Å; W256-L281 HydrophobicContact CD2-CB 3.8Å; W256-L281 HydrophobicContact CD2-CD2 4Å; W256-L281 HydrophobicContact CD2-CG 4.49Å; W256-L281 HydrophobicContact CE3-CB 4.11Å; W256-L281 HydrophobicContact CE3-CD2 3.78Å; W256-L281 HydrophobicContact CG-CB 4.24Å; W256-L281 HydrophobicContact CG-CD2 4.28Å; W256-L281 HydrophobicContact CH2-CB 4.31Å; W256-L281 HydrophobicContact CZ2-CB 4.03Å; W256-L281 HydrophobicContact CZ3-CB 4.35Å; W256-L281 HydrophobicContact CZ3-CD2 4.37Å; I263-L281 HydrophobicContact CD1-CD2 3.86Å; I263-L281 HydrophobicContact CG2-CD1 4.39Å; M270-L281 HydrophobicContact CB-CD1 4.01Å; M270-L281 HydrophobicContact CG-CD1 4.43Å; M270-L281 HydrophobicContact SD-CD1 4.21Å; E271-L281 WeakPolarHBondContact O-CA 2.92Å; I272-L281 HydrophobicContact CD1-CD1 4.4Å; I272-L281 HydrophobicContact CG1-CD1 3.7Å; L281-F283 HydrophobicContact CD2-CE2 4.08Å; L281-F283 HydrophobicContact CD2-CZ 3.72Å; L281-F283 HydrophobicContact CG-CE2 3.92Å; L281-F283 HydrophobicContact CG-CZ 3.95Å; L281-Y294 HydrophobicContact CD2-CD1 3.69Å; L281-Y294 HydrophobicContact CD2-CE1 3.96Å
282T97.4Very high95.3Very high4 Ų449.5 Ų49.53%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-101.1134.1179.2-62.60000110.5R239 G240 V241 M270 E271R239-T282 HydrophobicContact CG-CG2 4.16Å; G240-T282 WeakPolarHBondContact O-CA 3.38Å; V241-T282 HydrophobicContact CG2-CG2 4.34Å; M270-T282 CarbonylContact C-O 3.56Å; M270-T282 WeakPolarHBondContact CA-O 3.42Å; E271-T282 PolarHBondContact N-O 3.23Å; E271-T282 PolarHBondContact O-N 2.86Å
283F96.4Very high95.3Very high2 Ų253 Ų531%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-104.9121.6169.1-54.7-99000107.8R239 G240 L242 M270 L281 V286 D290 Y294 L311R239-F283 VanDerWaalsContact CA-O 3.27Å; R239-F283 WeakPolarHBondContact CA-O 3.27Å; R239-F283 WeakPolarHBondContact CG-O 3.35Å; G240-F283 PolarHBondContact N-O 3.11Å; G240-F283 PolarHBondContact O-N 3.42Å; L242-F283 HydrophobicContact CD1-CE2 4.21Å; L242-F283 HydrophobicContact CD1-CZ 4.48Å; L242-F283 HydrophobicContact CG-CE2 4.22Å; M270-F283 HydrophobicContact CG-CD1 3.57Å; M270-F283 HydrophobicContact CG-CE1 3.77Å; M270-F283 HydrophobicContact CG-CG 4.34Å; M270-F283 HydrophobicContact SD-CD1 3.89Å; M270-F283 HydrophobicContact SD-CE1 3.42Å; M270-F283 WeakPolarHBondContact SD-CE1 3.41Å; M270-F283 HydrophobicContact SD-CZ 4.19Å; L281-F283 HydrophobicContact CD2-CE2 4.08Å; L281-F283 HydrophobicContact CD2-CZ 3.72Å; L281-F283 HydrophobicContact CG-CE2 3.92Å; L281-F283 HydrophobicContact CG-CZ 3.95Å; F283-V286 HydrophobicContact CB-CG2 3.65Å; F283-V286 HydrophobicContact CG-CG2 4.22Å; F283-D290 HydrophobicContact CD1-CB 4.26Å; F283-D290 HydrophobicContact CE1-CB 4.34Å; F283-Y294 HydrophobicContact CE1-CE1 4.02Å; F283-Y294 AromaticContact CE1-CZ 3.75Å; F283-Y294 WeakPolarHBondContact CE1-OH 3.12Å; F283-Y294 HydrophobicContact CZ-CD1 4.32Å; F283-Y294 AromaticContact CZ-CE1 3.65Å; F283-Y294 HydrophobicContact CZ-CE1 3.65Å; F283-Y294 HydrophobicContact CZ-CE2 4.1Å; F283-Y294 AromaticContact CZ-CZ 3.53Å; F283-L311 HydrophobicContact CD1-CD2 4.44Å; F283-L311 HydrophobicContact CD2-CD2 4.35Å; F283-L311 HydrophobicContact CE1-CD2 4.17Å; F283-L311 HydrophobicContact CE2-CD2 4.1Å; F283-L311 HydrophobicContact CZ-CD2 4Å
284Y95.3Very high95.4Very high124 Ų12449.7 Ų49.749%0.48629%0.289SS..SBendtrans-75.7-35.1-179.7-77.8-70.9000113.2G269 E271G269-Y284 WeakPolarHBondContact O-CD2 3.24Å; G269-Y284 PolarHBondContact O-N 2.87Å; G269-Y284 VanDerWaalsContact O-N 3.07Å; E271-Y284 HydrophobicContact CB-CE2 3.92Å; E271-Y284 PolarHBondContact OE2-OH 3.45Å
285N94.3Very high95.5Very high109 Ų10947.1 Ų47.158%0.58328%0.277SS*.SBendtrans-146.999.7179.8-177.82.2000108.9G237G237-N285 WeakPolarHBondContact CA-OD1 3.16Å; G237-N285 PolarHBondContact O-OD1 3.43Å
286V95.6Very high95.7Very high2 Ų242.5 Ų42.51%0.01225%0.248CC..  trans-70128.9-176.5173.90000111.1V234 P236 G237 Q238 F283 D290 Y291 L311V234-V286 HydrophobicContact CB-CG2 4.31Å; V234-V286 HydrophobicContact CG1-CB 4.18Å; V234-V286 HydrophobicContact CG1-CG2 3.78Å; P236-V286 WeakPolarHBondContact CA-O 3.44Å; G237-V286 PolarHBondContact N-O 2.99Å; Q238-V286 WeakPolarHBondContact O-CG2 3.48Å; Q238-V286 PolarHBondContact O-N 2.83Å; F283-V286 HydrophobicContact CB-CG2 3.65Å; F283-V286 HydrophobicContact CG-CG2 4.22Å; V286-D290 HydrophobicContact CG1-CB 4.21Å; V286-Y291 HydrophobicContact CG1-CD1 4.4Å; V286-Y291 HydrophobicContact CG1-CE1 3.68Å; V286-Y291 HydrophobicContact CG1-CE2 4.17Å; V286-L311 HydrophobicContact CG1-CD2 4.42Å
287S94Very high96Very high57 Ų5742.1 Ų42.140%0.39924%0.239SC..  trans-113.7167.1176.473.30000112G289 D290S287-G289 PolarHBondContact O-N 2.8Å; S287-G289 VanDerWaalsContact O-N 3.13Å; S287-D290 WeakPolarHBondContact CB-OD2 3.34Å; S287-D290 PolarHBondContact N-OD2 2.76Å; S287-D290 WeakPolarHBondContact O-CB 3.34Å; S287-D290 PolarHBondContact O-N 2.67Å; S287-D290 PolarHBondContact OG-OD2 2.94Å
288D91.9Very high96.2Very high134 Ų13439.3 Ų39.372%0.71722%0.219SC*.THydrogen-bonded Turntrans-57.2-31.2178.6-68.1-23.7000112.8D290D288-D290 VanDerWaalsContact C-N 3.25Å; D288-D290 PolarHBondContact O-N 2.96Å
289G92.3Very high96.2Very high53 Ų5340 Ų4055%0.54622%0.223SC..THydrogen-bonded Turntrans-70-21.9177.300000113K258 S287K258-G289 PolarHBondContact NZ-O 2.91Å; S287-G289 PolarHBondContact O-N 2.8Å; S287-G289 VanDerWaalsContact O-N 3.13Å
290D94.4Very high96.2Very high7 Ų740.9 Ų40.94%0.03723%0.227CC..THydrogen-bonded Turntrans-79.8-26.7-175.4-64.7-46.9000113.4K258 F283 V286 S287 D288 Y294 L311K258-D290 VanDerWaalsContact NZ-CA 3.33Å; K258-D290 PolarHBondContact NZ-O 2.84Å; F283-D290 HydrophobicContact CD1-CB 4.26Å; F283-D290 HydrophobicContact CE1-CB 4.34Å; V286-D290 HydrophobicContact CG1-CB 4.21Å; S287-D290 WeakPolarHBondContact CB-OD2 3.34Å; S287-D290 PolarHBondContact N-OD2 2.76Å; S287-D290 WeakPolarHBondContact O-CB 3.34Å; S287-D290 PolarHBondContact O-N 2.67Å; S287-D290 PolarHBondContact OG-OD2 2.94Å; D288-D290 VanDerWaalsContact C-N 3.25Å; D288-D290 PolarHBondContact O-N 2.96Å; D290-Y294 VanDerWaalsContact O-CE2 3.23Å; D290-Y294 WeakPolarHBondContact O-CE2 3.44Å; D290-Y294 VanDerWaalsContact O-CZ 3.31Å; D290-Y294 PolarHBondContact O-OH 3.07Å; D290-L311 HydrophobicContact CB-CD2 4.17Å
291Y95.9Very high96.2Very high42 Ų4244.1 Ų44.117%0.16524%0.241CC..  trans-63.7145.2178.9-60.6-64000112.1V234 P236 V286 L311 Y312 V313V234-Y291 WeakPolarHBondContact O-CE1 3.43Å; V234-Y291 PolarHBondContact O-OH 3.31Å; P236-Y291 WeakPolarHBondContact CD-OH 3.39Å; P236-Y291 HydrophobicContact CG-CE2 4.44Å; P236-Y291 WeakPolarHBondContact CG-OH 3.23Å; V286-Y291 HydrophobicContact CG1-CD1 4.4Å; V286-Y291 HydrophobicContact CG1-CE1 3.68Å; V286-Y291 HydrophobicContact CG1-CE2 4.17Å; Y291-L311 WeakPolarHBondContact CA-O 3.05Å; Y291-L311 HydrophobicContact CD1-CD2 4.44Å; Y291-L311 HydrophobicContact CD1-CG 4.04Å; Y291-L311 HydrophobicContact CE1-CG 4.46Å; Y291-Y312 WeakPolarHBondContact CE1-O 3.35Å; Y291-V313 HydrophobicContact CD1-CB 4.39Å; Y291-V313 HydrophobicContact CD2-CB 4.38Å; Y291-V313 VanDerWaalsContact CE1-CA 3.49Å; Y291-V313 HydrophobicContact CE1-CB 3.92Å; Y291-V313 HydrophobicContact CE2-CB 3.91Å; Y291-V313 HydrophobicContact CE2-CG2 4.22Å
292G95.4Very high96.2Very high21 Ų2147.3 Ų47.322%0.21626%0.258CS..EExtended strand (participates in β ladder)trans138.2-165.9-179.900000113.6Y294 L311G292-Y294 WeakPolarHBondContact O-CD2 3.44Å; G292-L311 PolarHBondContact N-O 3.15Å; G292-L311 PolarHBondContact O-N 3.21Å
293N96.7Very high96.2Very high97 Ų9748.5 Ų48.552%0.51927%0.271SS..EExtended strand (participates in β ladder)trans-88131.1-176.3-68.4-34.2000111.2F309N293-F309 CarbonylContact C-O 3.5Å; N293-F309 VanDerWaalsContact CA-O 3.32Å; N293-F309 WeakPolarHBondContact CA-O 3.12Å
294Y97.3Very high96.3Very high0 Ų052.2 Ų52.20%030%0.297CS..EExtended strand (participates in β ladder)trans-116.2144.8172.3-68.7-98000109.4L242 Y257 K258 I263 L281 F283 D290 G292 N308 F309 L311L242-Y294 HydrophobicContact CD1-CD1 4.38Å; L242-Y294 HydrophobicContact CD1-CD2 3.78Å; L242-Y294 HydrophobicContact CD1-CG 3.69Å; Y257-Y294 CarbonylContact O-C 3.6Å; Y257-Y294 VanDerWaalsContact O-CA 3.27Å; Y257-Y294 WeakPolarHBondContact O-CA 3.36Å; K258-Y294 HydrophobicContact CB-CD1 3.98Å; K258-Y294 HydrophobicContact CB-CE1 3.8Å; K258-Y294 HydrophobicContact CD-CE1 3.79Å; K258-Y294 WeakPolarHBondContact CD-OH 3.44Å; K258-Y294 WeakPolarHBondContact CE-OH 3.49Å; K258-Y294 HydrophobicContact CG-CD1 4.37Å; K258-Y294 HydrophobicContact CG-CE1 3.94Å; K258-Y294 PolarHBondContact NZ-OH 2.54Å; K258-Y294 VanDerWaalsContact NZ-OH 3.13Å; I263-Y294 HydrophobicContact CD1-CD1 3.68Å; I263-Y294 HydrophobicContact CD1-CE1 3.62Å; L281-Y294 HydrophobicContact CD2-CD1 3.69Å; L281-Y294 HydrophobicContact CD2-CE1 3.96Å; F283-Y294 HydrophobicContact CE1-CE1 4.02Å; F283-Y294 AromaticContact CE1-CZ 3.75Å; F283-Y294 WeakPolarHBondContact CE1-OH 3.12Å; F283-Y294 HydrophobicContact CZ-CD1 4.32Å; F283-Y294 AromaticContact CZ-CE1 3.65Å; F283-Y294 HydrophobicContact CZ-CE1 3.65Å; F283-Y294 HydrophobicContact CZ-CE2 4.1Å; F283-Y294 AromaticContact CZ-CZ 3.53Å; D290-Y294 VanDerWaalsContact O-CE2 3.23Å; D290-Y294 WeakPolarHBondContact O-CE2 3.44Å; D290-Y294 VanDerWaalsContact O-CZ 3.31Å; D290-Y294 PolarHBondContact O-OH 3.07Å; G292-Y294 WeakPolarHBondContact O-CD2 3.44Å; Y294-N308 CarbonylContact O-C 3.53Å; Y294-N308 VanDerWaalsContact O-CA 3.27Å; Y294-N308 WeakPolarHBondContact O-CA 3.32Å; Y294-F309 PolarHBondContact N-O 3.33Å; Y294-F309 PolarHBondContact O-N 2.67Å; Y294-L311 HydrophobicContact CD2-CB 4.17Å; Y294-L311 HydrophobicContact CE2-CB 3.88Å; Y294-L311 HydrophobicContact CE2-CD2 4.24Å
295T98.1Very high96.4Very high31 Ų3148 Ų4819%0.1929%0.287CS..EExtended strand (participates in β ladder)trans-121.2128174.3-55.60000108.7W256 Y257 V297 N306 T307 N308W256-T295 CarbonylContact C-O 3.4Å; W256-T295 WeakPolarHBondContact CA-O 3.3Å; Y257-T295 PolarHBondContact N-O 2.82Å; Y257-T295 PolarHBondContact O-N 2.6Å; T295-V297 HydrophobicContact CG2-CG2 4.12Å; T295-N306 HydrophobicContact CG2-CB 4.07Å; T295-T307 WeakPolarHBondContact CA-O 3.37Å; T295-N308 WeakPolarHBondContact CG2-OD1 3.42Å; T295-N308 PolarHBondContact OG1-OD1 2.86Å
296C98.1Very high96.6Very high0 Ų047.2 Ų47.20%028%0.282CS..EExtended strand (participates in β ladder)trans-100.2133.1167.7171.80000108.9C244 F254 E255 W256 N306 T307 F309C244-C296 HydrophobicContact CB-CB 3.54Å; C244-C296 WeakPolarHBondContact CB-SG 3.45Å; C244-C296 WeakPolarHBondContact SG-CB 3.19Å; C244-C296 CovalentContact SG-SG 2.03Å; C244-C296 PolarHBondContact SG-SG 2.57Å; F254-C296 VanDerWaalsContact CD1-SG 3.59Å; E255-C296 CarbonylContact O-C 3.57Å; E255-C296 WeakPolarHBondContact O-CA 3.42Å; W256-C296 HydrophobicContact CD2-CB 4.19Å; W256-C296 HydrophobicContact CE3-CB 4.05Å; W256-C296 HydrophobicContact CH2-CB 3.94Å; W256-C296 HydrophobicContact CZ2-CB 4.07Å; W256-C296 HydrophobicContact CZ3-CB 3.93Å; C296-N306 CarbonylContact O-C 3.51Å; C296-N306 WeakPolarHBondContact O-CA 3.33Å; C296-N306 WeakPolarHBondContact O-CB 3.27Å; C296-T307 HydrophobicContact CB-CG2 4.42Å; C296-T307 PolarHBondContact N-O 3.13Å; C296-T307 PolarHBondContact O-N 3Å; C296-F309 HydrophobicContact CB-CE2 3.64Å; C296-F309 HydrophobicContact CB-CZ 4.34Å
297V98.1Very high96.7Very high26 Ų2648 Ų4816%0.15829%0.287CS..EExtended strand (participates in β ladder)trans-119.8123176.2-172.10000108.6F254 E255 Y257 T295 I299 S305 N306F254-V297 WeakPolarHBondContact CA-O 3.05Å; E255-V297 PolarHBondContact N-O 2.87Å; E255-V297 PolarHBondContact O-N 2.97Å; Y257-V297 HydrophobicContact CD2-CG2 3.91Å; Y257-V297 HydrophobicContact CE2-CB 4.38Å; Y257-V297 HydrophobicContact CE2-CG2 3.82Å; T295-V297 HydrophobicContact CG2-CG2 4.12Å; V297-I299 HydrophobicContact CG1-CD1 4.11Å; V297-I299 HydrophobicContact CG1-CG1 3.83Å; V297-S305 WeakPolarHBondContact CA-O 3.34Å; V297-N306 HydrophobicContact CB-CB 4.37Å; V297-N306 HydrophobicContact CG1-CB 4.45Å; V297-N306 HydrophobicContact CG2-CB 3.93Å
298A98.5Very high96.8Very high0 Ų049.7 Ų49.70%029%0.292CS..EExtended strand (participates in β ladder)trans-102.7133.1172.700000109.7P224 V226 A246 A252 D253 F254 S304 S305P224-A298 HydrophobicContact CB-CB 3.9Å; P224-A298 HydrophobicContact CG-CB 4.5Å; V226-A298 HydrophobicContact CG2-CB 3.58Å; A246-A298 HydrophobicContact CB-CB 3.51Å; A252-A298 HydrophobicContact CB-CB 3.99Å; D253-A298 CarbonylContact O-C 3.47Å; D253-A298 WeakPolarHBondContact O-CA 3.39Å; F254-A298 HydrophobicContact CD1-CB 4.02Å; F254-A298 HydrophobicContact CE1-CB 3.76Å; F254-A298 HydrophobicContact CZ-CB 4.31Å; A298-S304 CarbonylContact O-C 3.23Å; A298-S304 WeakPolarHBondContact O-CA 3.4Å; A298-S304 WeakPolarHBondContact O-CB 3.41Å; A298-S305 PolarHBondContact N-O 3.13Å; A298-S305 PolarHBondContact O-N 3.42Å
299I98.1Very high97Very high59 Ų5943.4 Ų43.430%0.30326%0.258SS..EExtended strand (participates in β ladder)trans-135132.9-170.3-50.3175.2000110.1A252 D253 E255 V297A252-I299 CarbonylContact C-O 3.49Å; A252-I299 VanDerWaalsContact CA-O 3.26Å; A252-I299 WeakPolarHBondContact CA-O 3.37Å; D253-I299 PolarHBondContact N-O 2.91Å; D253-I299 PolarHBondContact O-N 3.43Å; E255-I299 HydrophobicContact CG-CD1 4.39Å; V297-I299 HydrophobicContact CG1-CD1 4.11Å; V297-I299 HydrophobicContact CG1-CG1 3.83Å
300N98Very high97.2Very high18 Ų1844 Ų4410%0.09625%0.248CC..EExtended strand (participates in β ladder)trans-135-17616480.34.4000110.8Y222 P224 P250 L302 G303Y222-N300 PolarHBondContact O-ND2 3.43Å; P224-N300 WeakPolarHBondContact CD-OD1 3.4Å; P224-N300 HydrophobicContact CG-CB 4.1Å; P250-N300 PolarHBondContact O-ND2 2.6Å; N300-L302 PolarHBondContact O-N 2.95Å; N300-L302 WeakPolarHBondContact OD1-CA 3.4Å; N300-L302 WeakPolarHBondContact OD1-CB 3.39Å; N300-L302 PolarHBondContact OD1-N 2.92Å; N300-G303 PolarHBondContact N-O 2.79Å; N300-G303 PolarHBondContact O-N 2.97Å; N300-G303 VanDerWaalsContact O-O 3.11Å; N300-G303 PolarHBondContact OD1-N 2.74Å
301K97.3Very high97.3Very high140 Ų14043.7 Ų43.761%0.60925%0.247SC*.THydrogen-bonded Turntrans-60-14.9-178.474.4-174.7-176.2-171.90115N221 P250N221-K301 PolarHBondContact ND2-NZ 2.91Å; N221-K301 VanDerWaalsContact ND2-NZ 3.2Å; P250-K301 HydrophobicContact CG-CD 4.07Å
302L97.6Very high97.4Very high67 Ų6746.9 Ų46.935%0.35126%0.259SS..THydrogen-bonded Turntrans-104-14.1-177-65.2176.3000113.4N221 Y222 A223 N300N221-L302 VanDerWaalsContact C-CD1 3.44Å; N221-L302 HydrophobicContact CB-CD1 3.53Å; Y222-L302 VanDerWaalsContact CA-CD1 3.46Å; Y222-L302 VanDerWaalsContact N-CD1 3.32Å; A223-L302 HydrophobicContact CB-CB 4.04Å; N300-L302 PolarHBondContact O-N 2.95Å; N300-L302 WeakPolarHBondContact OD1-CA 3.4Å; N300-L302 WeakPolarHBondContact OD1-CB 3.39Å; N300-L302 PolarHBondContact OD1-N 2.92Å
303G97.6Very high97.4Very high29 Ų2949 Ų4930%0.29927%0.268SS..EExtended strand (participates in β ladder)trans158.2-164.9178.500000113.2P224 N300P224-G303 WeakPolarHBondContact CD-O 3.39Å; N300-G303 PolarHBondContact N-O 2.79Å; N300-G303 PolarHBondContact O-N 2.97Å; N300-G303 VanDerWaalsContact O-O 3.11Å; N300-G303 PolarHBondContact OD1-N 2.74Å
304S97.8Very high97.2Very high80 Ų8047 Ų4756%0.55926%0.259SS*.EExtended strand (participates in β ladder)trans-142.1152.3-179.6600000111.4A298A298-S304 CarbonylContact O-C 3.23Å; A298-S304 WeakPolarHBondContact O-CA 3.4Å; A298-S304 WeakPolarHBondContact O-CB 3.41Å
305S98.3Very high96.4Very high37 Ų3753.7 Ų53.726%0.25929%0.293SS..EExtended strand (participates in β ladder)trans-140.2158.2170.91790000109.4P224 V226 V297 A298P224-S305 WeakPolarHBondContact O-CB 3.36Å; V226-S305 WeakPolarHBondContact CG2-O 3.45Å; V297-S305 WeakPolarHBondContact CA-O 3.34Å; A298-S305 PolarHBondContact N-O 3.13Å; A298-S305 PolarHBondContact O-N 3.42Å
306N97.5Very high95.3Very high91 Ų9158.4 Ų58.449%0.48731%0.313SS..EExtended strand (participates in β ladder)trans-144.5157-174.673-88.2000112.2T295 C296 V297T295-N306 HydrophobicContact CG2-CB 4.07Å; C296-N306 CarbonylContact O-C 3.51Å; C296-N306 WeakPolarHBondContact O-CA 3.33Å; C296-N306 WeakPolarHBondContact O-CB 3.27Å; V297-N306 HydrophobicContact CB-CB 4.37Å; V297-N306 HydrophobicContact CG1-CB 4.45Å; V297-N306 HydrophobicContact CG2-CB 3.93Å
307T97.6Very high93.6Very high20 Ų2064.5 Ų64.512%0.12335%0.352CS..EExtended strand (participates in β ladder)trans-139.1157.8173.7-161.20000110.1V226 S227 G229 T295 C296 F309V226-T307 HydrophobicContact CG1-CG2 3.49Å; V226-T307 VanDerWaalsContact CG1-CG2 3.49Å; S227-T307 PolarHBondContact O-OG1 2.99Å; G229-T307 PolarHBondContact N-OG1 2.9Å; G229-T307 VanDerWaalsContact N-OG1 3.07Å; T295-T307 WeakPolarHBondContact CA-O 3.37Å; C296-T307 HydrophobicContact CB-CG2 4.42Å; C296-T307 PolarHBondContact N-O 3.13Å; C296-T307 PolarHBondContact O-N 3Å; T307-F309 HydrophobicContact CG2-CD2 4.38Å; T307-F309 HydrophobicContact CG2-CE1 4.36Å; T307-F309 HydrophobicContact CG2-CE2 3.42Å; T307-F309 VanDerWaalsContact CG2-CE2 3.42Å; T307-F309 HydrophobicContact CG2-CZ 3.4Å; T307-F309 VanDerWaalsContact CG2-CZ 3.4Å
308N96.9Very high91.6Very high92 Ų9269 Ų6949%0.49238%0.38SS..EExtended strand (participates in β ladder)trans-112.3152.7-178.4-62.6-43.4000110.7Y294 T295Y294-N308 CarbonylContact O-C 3.53Å; Y294-N308 VanDerWaalsContact O-CA 3.27Å; Y294-N308 WeakPolarHBondContact O-CA 3.32Å; T295-N308 WeakPolarHBondContact CG2-OD1 3.42Å; T295-N308 PolarHBondContact OG1-OD1 2.86Å
309F96.5Very high89.7Confident2 Ų275.2 Ų75.21%0.00942%0.424CS..EExtended strand (participates in β ladder)trans-136.2144.5178.3-52.4-98.6000109.2L242 E243 C244 W256 N293 Y294 C296 T307L242-F309 HydrophobicContact CB-CD1 4.48Å; L242-F309 HydrophobicContact CD1-CB 3.94Å; L242-F309 HydrophobicContact CD1-CG 4.34Å; L242-F309 HydrophobicContact CD2-CB 3.96Å; L242-F309 HydrophobicContact CD2-CD1 4.22Å; L242-F309 HydrophobicContact CD2-CG 4.32Å; L242-F309 HydrophobicContact CG-CB 4.48Å; E243-F309 WeakPolarHBondContact O-CE1 3.39Å; E243-F309 WeakPolarHBondContact O-CZ 3.32Å; C244-F309 HydrophobicContact CB-CE2 4.35Å; C244-F309 HydrophobicContact CB-CZ 3.87Å; W256-F309 HydrophobicContact CH2-CD2 4.02Å; W256-F309 HydrophobicContact CH2-CE1 4.46Å; W256-F309 AromaticContact CH2-CE2 3.54Å; W256-F309 HydrophobicContact CH2-CE2 3.54Å; W256-F309 AromaticContact CH2-CZ 3.79Å; W256-F309 HydrophobicContact CH2-CZ 3.79Å; W256-F309 AromaticContact CZ3-CD2 3.6Å; W256-F309 HydrophobicContact CZ3-CD2 3.6Å; W256-F309 AromaticContact CZ3-CE2 3.51Å; W256-F309 HydrophobicContact CZ3-CE2 3.51Å; W256-F309 HydrophobicContact CZ3-CG 4.39Å; W256-F309 HydrophobicContact CZ3-CZ 4.23Å; N293-F309 CarbonylContact C-O 3.5Å; N293-F309 VanDerWaalsContact CA-O 3.32Å; N293-F309 WeakPolarHBondContact CA-O 3.12Å; Y294-F309 PolarHBondContact N-O 3.33Å; Y294-F309 PolarHBondContact O-N 2.67Å; C296-F309 HydrophobicContact CB-CE2 3.64Å; C296-F309 HydrophobicContact CB-CZ 4.34Å; T307-F309 HydrophobicContact CG2-CD2 4.38Å; T307-F309 HydrophobicContact CG2-CE1 4.36Å; T307-F309 HydrophobicContact CG2-CE2 3.42Å; T307-F309 VanDerWaalsContact CG2-CE2 3.42Å; T307-F309 HydrophobicContact CG2-CZ 3.4Å; T307-F309 VanDerWaalsContact CG2-CZ 3.4Å
310L96.3Very high87.7Confident66 Ų6676.7 Ų76.735%0.34644%0.439SS..EExtended strand (participates in β ladder)trans-105.1117.8166.8-178.563.8000109.7D231 A232 Y312D231-L310 WeakPolarHBondContact CA-O 3.35Å; D231-L310 HydrophobicContact CB-CB 4.24Å; D231-L310 WeakPolarHBondContact CB-O 3.41Å; D231-L310 PolarHBondContact OD1-N 3.43Å; A232-L310 PolarHBondContact N-O 2.91Å; L310-Y312 HydrophobicContact CD2-CD1 4.41Å; L310-Y312 HydrophobicContact CG-CD1 4.31Å
311L96.8Very high85.2Confident0 Ų081.5 Ų81.50%047%0.469CS..EExtended strand (participates in β ladder)trans-89.3116.6163.3-172.570.8000107.8A232 V234 F283 V286 D290 Y291 G292 Y294A232-L311 HydrophobicContact CB-CD1 3.91Å; A232-L311 WeakPolarHBondContact O-CA 3.4Å; V234-L311 HydrophobicContact CB-CD1 4.38Å; V234-L311 HydrophobicContact CG2-CD1 3.72Å; F283-L311 HydrophobicContact CD1-CD2 4.44Å; F283-L311 HydrophobicContact CD2-CD2 4.35Å; F283-L311 HydrophobicContact CE1-CD2 4.17Å; F283-L311 HydrophobicContact CE2-CD2 4.1Å; F283-L311 HydrophobicContact CZ-CD2 4Å; V286-L311 HydrophobicContact CG1-CD2 4.42Å; D290-L311 HydrophobicContact CB-CD2 4.17Å; Y291-L311 WeakPolarHBondContact CA-O 3.05Å; Y291-L311 HydrophobicContact CD1-CD2 4.44Å; Y291-L311 HydrophobicContact CD1-CG 4.04Å; Y291-L311 HydrophobicContact CE1-CG 4.46Å; G292-L311 PolarHBondContact N-O 3.15Å; G292-L311 PolarHBondContact O-N 3.21Å; Y294-L311 HydrophobicContact CD2-CB 4.17Å; Y294-L311 HydrophobicContact CE2-CB 3.88Å; Y294-L311 HydrophobicContact CE2-CD2 4.24Å
312Y96.1Very high82.9Confident108 Ų10883.3 Ų83.342%0.42449%0.485SS..EExtended strand (participates in β ladder)trans-126.8156.4-177.165.5-88.2000112.8D231 A232 G233 V234 Y291 L310 V314D231-Y312 HydrophobicContact CB-CE1 4.16Å; A232-Y312 WeakPolarHBondContact O-CD1 3.44Å; A232-Y312 PolarHBondContact O-N 3.47Å; G233-Y312 CarbonylContact C-O 3.56Å; G233-Y312 VanDerWaalsContact CA-CZ 3.46Å; G233-Y312 VanDerWaalsContact CA-O 3.32Å; G233-Y312 WeakPolarHBondContact CA-O 3.49Å; V234-Y312 PolarHBondContact N-O 3.28Å; Y291-Y312 WeakPolarHBondContact CE1-O 3.35Å; L310-Y312 HydrophobicContact CD2-CD1 4.41Å; L310-Y312 HydrophobicContact CG-CD1 4.31Å; Y312-V314 HydrophobicContact CD2-CG2 4.42Å; Y312-V314 HydrophobicContact CE2-CG2 3.99Å
313V95.8Very high80.5Confident67 Ų6787.2 Ų87.241%0.40651%0.505SS..EExtended strand (participates in β ladder)trans-75.6130.2-179.262.90000111P236 Y291 I315P236-V313 HydrophobicContact CG-CG2 4.12Å; Y291-V313 HydrophobicContact CD1-CB 4.39Å; Y291-V313 HydrophobicContact CD2-CB 4.38Å; Y291-V313 VanDerWaalsContact CE1-CA 3.49Å; Y291-V313 HydrophobicContact CE1-CB 3.92Å; Y291-V313 HydrophobicContact CE2-CB 3.91Å; Y291-V313 HydrophobicContact CE2-CG2 4.22Å; V313-I315 HydrophobicContact CG2-CG1 4.21Å
314V92.3Very high78.1Confident53 Ų5394.7 Ų94.732%0.32153%0.532SS..  trans-100.9123.21671760000108.1G233 V234 T235 Y312G233-V314 VanDerWaalsContact CA-CG2 3.44Å; V234-V314 PolarHBondContact O-N 3.33Å; T235-V314 PolarHBondContact OG1-O 3.34Å; Y312-V314 HydrophobicContact CD2-CG2 4.42Å; Y312-V314 HydrophobicContact CE2-CG2 3.99Å
315I82.1Confident75.8Confident142 Ų14294 Ų9473%0.72854%0.538SS*.  trans-102.6110.7176-53.1174.6000107.1V313V313-I315 HydrophobicContact CG2-CG1 4.21Å
316E73.3Confident73.4Confident129 Ų12998.4 Ų98.460%0.60357%0.566SS**  trans-69.8135.5169.1-66.9-166.2-178.100109.8T318E316-T318 PolarHBondContact O-N 3Å
317P63.3Low70.9Confident128 Ų128105.7 Ų105.783%0.83159%0.586SS**  trans-66.2108.5178.225.8-31.9000109.8S319P317-S319 PolarHBondContact O-N 3.09Å; P317-S319 VanDerWaalsContact O-N 3.09Å
318T55.9Low68.2Low120 Ų120109.2 Ų109.274%0.73662%0.618SS**  trans-63.8111.3172.3460000109.7E316 S320E316-T318 PolarHBondContact O-N 3Å; T318-S320 PolarHBondContact O-N 2.84Å
319S58.8Low65.7Low131 Ų131111.2 Ų111.292%0.91663%0.633SS**  trans-7169.6171.7-179.20000110.7P317P317-S319 PolarHBondContact O-N 3.09Å; P317-S319 VanDerWaalsContact O-N 3.09Å
320S55.2Low63Low90 Ų90120.4 Ų120.463%0.62968%0.676SS**  trans-151.967.517566.20000112.9T318T318-S320 PolarHBondContact O-N 2.84Å
321T47Very low60.1Low119 Ų119125 Ų12573%0.7370%0.701SS**  trans-142.164.8151.637.20000109.9L323T321-L323 VanDerWaalsContact C-N 3.25Å; T321-L323 HydrophobicContact CG2-CD1 4.3Å; T321-L323 HydrophobicContact CG2-CG 4.48Å
322L48.9Very low57.1Low178 Ų178127.6 Ų127.693%0.93273%0.728SS**  trans-89.277.6144.3-73.5177.6000106.4Q324L322-Q324 PolarHBondContact O-N 3.33Å
323L46.1Very low54.1Low149 Ų149128.5 Ų128.578%0.7875%0.75SS**  trans-70.4121170.6-82167.7000108.6T321 G325T321-L323 VanDerWaalsContact C-N 3.25Å; T321-L323 HydrophobicContact CG2-CD1 4.3Å; T321-L323 HydrophobicContact CG2-CG 4.48Å; L323-G325 PolarHBondContact O-N 3.39Å
324Q48.8Very low51.2Low186 Ų186129.4 Ų129.487%0.86977%0.773SS**  trans-38.9121.4175.1-68.9157.7-12.200112.2L322L322-Q324 PolarHBondContact O-N 3.33Å
325G47.6Very low48.4Very low66 Ų66130.7 Ų130.768%0.6880%0.797SS**PPolyproline II helixtrans-62.6143.6164.600000110.4L323L323-G325 PolarHBondContact O-N 3.39Å
326P47.9Very low46.1Very low130 Ų130128.6 Ų128.684%0.84480%0.801SS**PPolyproline II helixtrans-62.7139.2-179.523.7-31000111.2A328P326-A328 PolarHBondContact O-N 3.15Å; P326-A328 VanDerWaalsContact O-N 3.15Å
327R46.8Very low44.2Very low243 Ų243132.5 Ų132.592%0.91782%0.816SS**PPolyproline II helixtrans-53.5117.7170.2-84.5179.2176.6172.8-1109.3V329R327-V329 PolarHBondContact O-N 3.48Å
328A39.6Very low42.7Very low95 Ų95132.9 Ų132.979%0.78582%0.816SS**  trans-65.5115.9166.100000108.9P326 Q330P326-A328 PolarHBondContact O-N 3.15Å; P326-A328 VanDerWaalsContact O-N 3.15Å; A328-Q330 PolarHBondContact O-N 3.23Å
329V45.3Very low41.7Very low134 Ų134131.8 Ų131.881%0.81282%0.819SS**  trans-65.2124.1160.2172.50000106.6R327 D331R327-V329 PolarHBondContact O-N 3.48Å; V329-D331 PolarHBondContact O-N 3.33Å
330Q38.8Very low40.6Very low194 Ų194134.8 Ų134.891%0.90782%0.818SS**  trans-71116.3165.6-74-163.3-16.500108.1A328A328-Q330 PolarHBondContact O-N 3.23Å
331D35.4Very low39.6Very low162 Ų162139.3 Ų139.387%0.86683%0.827SS**  trans-134142.3146.4-154-0.4000109.1V329V329-D331 PolarHBondContact O-N 3.33Å
332G35.2Very low39Very low56 Ų56142.6 Ų142.658%0.57783%0.834SS**  trans-86.6-178.3-157.500000115.8
333S33.1Very low38.4Very low127 Ų127139.4 Ų139.489%0.88882%0.822SS**  trans87.4108.2164.180.10000117.8
334G34.4Very low37.7Very low86 Ų86138.9 Ų138.989%0.88783%0.829SS**  100.6109.2124.800000117.6
335G32Very low37.1Very low80 Ų80136.8 Ų136.883%0.82582%0.823SS**  trans121.999.2145.500000115.2
336A34.2Very low36.5Very low97 Ų97139.7 Ų139.780%0.80282%0.822SS**  trans-55.9145.8173.700000113.7
337K33.4Very low35.9Very low211 Ų211142.7 Ų142.792%0.91782%0.822SS**  trans-161.2130.8135.7-102.9158.9-168.4-173.60111.2
338T33.4Very low35.6Very low137 Ų137138 Ų13884%0.8481%0.814SS**  trans-66.9135.9-175.732.90000113.5
339A34Very low35.4Very low97 Ų97138.1 Ų138.180%0.80282%0.815SS**  trans-126.3117.6161.600000109.1
340H34.9Very low35.1Very low193 Ų193140.9 Ų140.989%0.89482%0.816SS**  trans-81.9132.9176.7-102.8-75.9000110.5
341F34Very low34.9Very low185 Ų185139.5 Ų139.581%0.81181%0.814SS**  trans-70.2143.9166-89.9-99.4000111.2
342H35.1Very low35.4Very low189 Ų189137 Ų13788%0.87581%0.807SS**  trans-139.2115.6144.5-115.9-60.8000110.9
343T36.8Very low35.6Very low111 Ų111144.6 Ų144.668%0.68183%0.825SS**  trans-66.4144.716615.30000111.2
344C31.2Very low35.9Very low138 Ų138145.5 Ų145.593%0.93282%0.819SS**  trans-155.3140.3137.9-130.80000112.1
345L36.4Very low36.1Very low141 Ų141148.3 Ų148.374%0.73881%0.813SS**  trans-91.8159.3-168.7-90.4138.5000112.6
346L34.7Very low36.4Very low127 Ų127154.1 Ų154.167%0.66581%0.809SS**  trans65.8123.4144.6-70.3156.7000119.1
347F34.6Very low36.9Very low193 Ų193161.8 Ų161.885%0.84683%0.825SS**  -178.4139.191.8-110.8-85.2000111.8
348I40.4Very low37Very low145 Ų145159.3 Ų159.374%0.74482%0.821SS**  trans-82138.8171.4-67.3164.8000108.5
349A36Very low37.2Very low97 Ų97160.5 Ų160.580%0.80282%0.82SS**  trans-150.2115.2155.700000110.9
350F38.9Very low37.4Very low192 Ų192164 Ų16484%0.84282%0.821SS**  trans-72.9141.8162.7-96.6-100.7000110
351L34.8Very low37.5Very low165 Ų165162.3 Ų162.386%0.86482%0.816SS**  trans-150.4142.8145.2-108.3122000111.1
352P47Very low37.8Very low110 Ų110160.9 Ų160.971%0.71482%0.817SS**  trans-89.2148.1-17736-31.4000111.3
353F37.9Very low37.9Very low216 Ų216159 Ų15995%0.94781%0.813SS**  trans-103.3109.1170.7-128.4-94.4000109.6
354L39.1Very low38Very low146 Ų146162.4 Ų162.476%0.76482%0.822SS**  trans-97.2131.9161.7-102.1163.2000107.3
355L39.6Very low38.5Very low145 Ų145164.3 Ų164.376%0.75981%0.814SS**  trans138.7137.5133.2-83.4159.2000116.7
356R37.5Very low38.7Very low201 Ų201166.3 Ų166.376%0.75882%0.82SS**  trans91.5127.5153.2-73166.6-175.6-138.91.2116.4
357F44.3Very low39.1Very low258 Ų258169.8 Ų169.8100%1.13283%0.834SS**  cis-130.1021-92-89.4000113.5

Retrieved 357 of 357 residues in 280.7 ms (Link to these results)