A0A096NCL1_PAPAN Loading...

Protocadherin beta 6

AlphaFold DB , UniProt , Accession A0A096NCL1, Species PAPAN (Papio anubis, Olive baboon), Gene PCDHB6, Length 794 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
1T35.5Very low35.1Very low199 Ų199177.7 Ų177.7100%1.22187%0.869SS**  0139.908.70000108.9
2M35.6Very low35.8Very low187 Ų187176.8 Ų176.892%0.92186%0.861SS**  trans-68.7143.1176.2-71.6173.7139.500111.8
3Q33.7Very low36.7Very low183 Ų183171.7 Ų171.786%0.85585%0.846SS**  trans157.4141154.9-95.5175.71.900108
4T36.6Very low37.3Very low127 Ų127162.9 Ų162.978%0.77982%0.815SS**  cis-153.9165.9-3.9-160000111.5
5K34.5Very low37.9Very low191 Ų191162.6 Ų162.683%0.8381%0.807SS**  trans-53148.4169.6-94.5177.1172.71750115.4
6V35.6Very low38.3Very low126 Ų126161.7 Ų161.776%0.76480%0.797SS**  trans65.3113.4138.9177.40000118.4
7Q33.9Very low38.8Very low194 Ų194159.8 Ų159.891%0.90779%0.789SS**  trans-150.1120.7134.7-139.4163.32.500113
8N34.8Very low39Very low147 Ų147158.5 Ų158.579%0.78679%0.785SS**  trans-87.5161.5170.7-141.1-17.8000109.3
9K33.7Very low39.1Very low181 Ų181154.3 Ų154.379%0.78777%0.765SS**  trans70.396.4177.7-55.4178.1175.2-179.90117.8
10K36.6Very low39.1Very low208 Ų208154.9 Ų154.990%0.90477%0.768SS**  -173.674.9127.5-106.4176.8-177.8-179.20112.5
11R36.1Very low39Very low212 Ų212154.5 Ų154.580%0.877%0.768SS**  trans-154.724.1156.8-118.7172.8178.2179.8-2.9116.3V13 A14R11-V13 PolarHBondContact O-N 2.7Å; R11-A14 HydrophobicContact CG-CB 3.91Å; R11-A14 PolarHBondContact O-N 2.74Å
12Q43.1Very low39Very low166 Ų166155.5 Ų155.578%0.77675%0.749SS**THydrogen-bonded Turntrans-66.911.4168.1-86.3-179.5-51.100114.6
13V47.4Very low39.2Very low111 Ų111150 Ų15067%0.67374%0.74SS**THydrogen-bonded Turntrans-118.1-16.2175.2-173.50000112.1R11 F15R11-V13 PolarHBondContact O-N 2.7Å; V13-F15 VanDerWaalsContact C-N 3.34Å
14A44.4Very low39.2Very low49 Ų49150.2 Ų150.241%0.40574%0.742SS.*THydrogen-bonded Turntrans-73.5-31.2167.400000111.5R11 F16 I17 L18R11-A14 HydrophobicContact CG-CB 3.91Å; R11-A14 PolarHBondContact O-N 2.74Å; A14-F16 PolarHBondContact O-N 2.86Å; A14-I17 PolarHBondContact O-N 3.14Å; A14-L18 PolarHBondContact O-N 3.45Å
15F47.5Very low39.1Very low158 Ų158150.6 Ų150.669%0.69374%0.743SS**THydrogen-bonded Turntrans-65.4-18.8176.7-141-92.6000113.5V13V13-F15 VanDerWaalsContact C-N 3.34Å
16F44.3Very low38.9Very low148 Ų148145 Ų14565%0.64974%0.741SS**THydrogen-bonded Turntrans-96-13.1178.9-107.5-82.1000114.3A14A14-F16 PolarHBondContact O-N 2.86Å
17I46.4Very low39.2Very low130 Ų130143.3 Ų143.367%0.66773%0.734SS**THydrogen-bonded Turntrans-96.9-26.8176.7-64.9177.5000110.9A14 L19 M20A14-I17 PolarHBondContact O-N 3.14Å; I17-L19 VanDerWaalsContact C-N 3.28Å; I17-M20 PolarHBondContact O-N 3.31Å
18L41.9Very low39.8Very low136 Ų136142.9 Ų142.971%0.71273%0.732SS**G310 helixtrans-73.2-20.3168.4-156.670.2000112.8A14 M20A14-L18 PolarHBondContact O-N 3.45Å; L18-M20 VanDerWaalsContact C-N 3.35Å
19L41.4Very low41.3Very low79 Ų79139.5 Ų139.541%0.41472%0.72SS.*G310 helixtrans-83.7-5.3176.3-124.879.5000114.2I17 W22I17-L19 VanDerWaalsContact C-N 3.28Å; L19-W22 HydrophobicContact CD1-CE3 4.4Å; L19-W22 HydrophobicContact CD1-CH2 4.26Å; L19-W22 HydrophobicContact CD1-CZ3 4.14Å; L19-W22 HydrophobicContact CG-CE3 4.17Å; L19-W22 HydrophobicContact CG-CZ3 4.27Å
20M38.2Very low43.5Very low165 Ų165132.8 Ų132.881%0.81369%0.692SS**G310 helixtrans-106.426.2179.3-74.1-78.7-86.700112.5I17 L18I17-M20 PolarHBondContact O-N 3.31Å; L18-M20 VanDerWaalsContact C-N 3.35Å
21L37.1Very low45.8Very low148 Ų148128.2 Ų128.278%0.77567%0.674SS**  trans-123.714.9161.9-81.1166.3000111.9G23L21-G23 PolarHBondContact O-N 3.37Å
22W36.9Very low48.2Very low219 Ų219119 Ų11983%0.8364%0.639SS**  trans-83.864.8167.2-77.4-3000110.5L19L19-W22 HydrophobicContact CD1-CE3 4.4Å; L19-W22 HydrophobicContact CD1-CH2 4.26Å; L19-W22 HydrophobicContact CD1-CZ3 4.14Å; L19-W22 HydrophobicContact CG-CE3 4.17Å; L19-W22 HydrophobicContact CG-CZ3 4.27Å
23G39.1Very low50.3Low71 Ų71113.4 Ų113.473%0.73262%0.619SS**  trans-141.917.4-17800000113.5L21L21-G23 PolarHBondContact O-N 3.37Å
24E32.5Very low52.4Low188 Ų188108.7 Ų108.788%0.87959%0.591SS**SBendtrans-113.1118.6170.8-70.8-159.915400111.6G26E24-G26 PolarHBondContact O-N 3.29Å
25V34.9Very low54.4Low135 Ų135110.7 Ų110.782%0.81859%0.594SS**  trans-21.7115.4164.2-179.30000113.6S27V25-S27 PolarHBondContact O-N 3.35Å
26G31.1Very low56.4Low75 Ų75103.1 Ų103.177%0.77356%0.561SS**  trans-65.796.9161.900000109.9E24 E28E24-G26 PolarHBondContact O-N 3.29Å; G26-E28 PolarHBondContact O-N 3.32Å
27S40.8Very low58.4Low90 Ų9099.2 Ų99.263%0.62954%0.544SS*.  trans-81.489.1165.4177.60000108.3V25 S29V25-S27 PolarHBondContact O-N 3.35Å; S27-S29 PolarHBondContact O-N 3.09Å; S27-S29 VanDerWaalsContact O-N 3.07Å
28E48.3Very low60.4Low184 Ų18494.2 Ų94.286%0.8652%0.52SS*.  trans-57.6113.1163.5-73.9-174.4138.200108.2G26 I30G26-E28 PolarHBondContact O-N 3.32Å; E28-I30 PolarHBondContact O-N 3.35Å
29S66.1Low62.6Low76 Ų7694 Ų9453%0.53152%0.516SS..PPolyproline II helixtrans-73.3120.7173.549.20000108.6S27 Q31S27-S29 PolarHBondContact O-N 3.09Å; S27-S29 VanDerWaalsContact O-N 3.07Å; S29-Q31 PolarHBondContact O-N 2.94Å
30I78.8Confident64.7Low40 Ų4093.3 Ų93.321%0.20552%0.517CS..EExtended strand (participates in β ladder)trans-72.6120-172.5-54.5173.4000108.7E28 Y32 L51 Q117 A118 S119E28-I30 PolarHBondContact O-N 3.35Å; I30-Y32 HydrophobicContact CB-CE2 4.41Å; I30-Y32 HydrophobicContact CG2-CD1 4.32Å; I30-Y32 HydrophobicContact CG2-CD2 4.4Å; I30-Y32 HydrophobicContact CG2-CE1 3.65Å; I30-Y32 HydrophobicContact CG2-CE2 3.77Å; I30-Y32 WeakPolarHBondContact CG2-OH 3.48Å; I30-L51 HydrophobicContact CD1-CD2 3.53Å; I30-L51 HydrophobicContact CD1-CG 4.47Å; I30-Q117 PolarHBondContact N-O 3.18Å; I30-A118 HydrophobicContact CB-CB 4.42Å; I30-A118 CarbonylContact O-C 3.49Å; I30-A118 WeakPolarHBondContact O-CA 3.14Å; I30-A118 WeakPolarHBondContact O-CB 3.44Å; I30-S119 PolarHBondContact O-N 2.89Å
31Q84.5Confident66.7Low113 Ų11387.1 Ų87.153%0.52850%0.496SS..EExtended strand (participates in β ladder)trans-103.8116.6178.1-176.3166.667.300110.3S29 R121S29-Q31 PolarHBondContact O-N 2.94Å; Q31-R121 HydrophobicContact CG-CB 4.49Å
32Y87.6Confident69.1Low17 Ų1782.5 Ų82.57%0.06747%0.474CS..EExtended strand (participates in β ladder)trans-99.4155.8168.5-55.9-65.1000109.2I30 V44 A45 L47 L83 F105 A118 S119 R121I30-Y32 HydrophobicContact CB-CE2 4.41Å; I30-Y32 HydrophobicContact CG2-CD1 4.32Å; I30-Y32 HydrophobicContact CG2-CD2 4.4Å; I30-Y32 HydrophobicContact CG2-CE1 3.65Å; I30-Y32 HydrophobicContact CG2-CE2 3.77Å; I30-Y32 WeakPolarHBondContact CG2-OH 3.48Å; Y32-V44 HydrophobicContact CG-CG1 4.48Å; Y32-A45 HydrophobicContact CD1-CB 3.35Å; Y32-A45 HydrophobicContact CE1-CB 3.17Å; Y32-A45 HydrophobicContact CG-CB 4.21Å; Y32-L47 HydrophobicContact CE2-CD2 4.48Å; Y32-L47 VanDerWaalsContact OH-CD2 3.31Å; Y32-L47 WeakPolarHBondContact OH-CD2 3.3Å; Y32-L83 HydrophobicContact CD2-CD2 3.81Å; Y32-L83 HydrophobicContact CE2-CD2 3.78Å; Y32-L83 HydrophobicContact CG-CD2 4.31Å; Y32-F105 HydrophobicContact CD2-CE1 4.09Å; Y32-F105 AromaticContact CD2-CZ 3.69Å; Y32-F105 HydrophobicContact CD2-CZ 3.69Å; Y32-F105 AromaticContact CE2-CZ 3.88Å; Y32-F105 HydrophobicContact CE2-CZ 3.88Å; Y32-A118 HydrophobicContact CD2-CB 4.44Å; Y32-A118 HydrophobicContact CE2-CB 4.14Å; Y32-S119 PolarHBondContact N-O 2.93Å; Y32-R121 PolarHBondContact O-N 3.12Å
33S87.6Confident71.6Confident50 Ų5077.7 Ų77.735%0.3546%0.459SS..EExtended strand (participates in β ladder)trans-136.6132.7171.166.80000111.4R121 R123S33-R121 WeakPolarHBondContact CA-O 3.21Å; S33-R121 WeakPolarHBondContact CB-O 3.37Å; S33-R123 PolarHBondContact OG-NE 3.27Å; S33-R123 PolarHBondContact OG-NH2 3.19Å
34V90.4Very high73.8Confident12 Ų1275.5 Ų75.57%0.07343%0.431CS..EExtended strand (participates in β ladder)trans-117.4148.9171.573.20000107.3T38 V44 L89 L120 R121 R123V34-T38 HydrophobicContact CG2-CG2 4.05Å; V34-V44 HydrophobicContact CG2-CG2 4.43Å; V34-L89 HydrophobicContact CG1-CD1 4.07Å; V34-L120 HydrophobicContact CB-CD1 4.18Å; V34-L120 HydrophobicContact CG1-CD1 3.9Å; V34-L120 HydrophobicContact CG1-CD2 4.14Å; V34-L120 HydrophobicContact CG1-CG 4.17Å; V34-R121 PolarHBondContact N-O 3.5Å; V34-R123 PolarHBondContact O-N 2.89Å
35L87.6Confident76.3Confident90 Ų9066.8 Ų66.847%0.47139%0.391SS..EExtended strand (participates in β ladder)trans-70.3151.4163.1-60.5171.5000107.7T38 R123 I125L35-T38 WeakPolarHBondContact O-CB 3.37Å; L35-T38 PolarHBondContact O-OG1 3.08Å; L35-R123 HydrophobicContact CD2-CB 3.91Å; L35-I125 HydrophobicContact CB-CD1 3.94Å; L35-I125 HydrophobicContact CB-CG1 4.19Å; L35-I125 HydrophobicContact CD1-CD1 4.45Å
36E88.2Confident78.7Confident0 Ų062.5 Ų62.50%036%0.364CS..THydrogen-bonded Turntrans-65.9177.5164.678.3-174.9116.100111.8T38 L89 R91 E92 V122 R123 D124 I125E36-T38 PolarHBondContact O-N 2.85Å; E36-T38 PolarHBondContact O-OG1 2.92Å; E36-L89 WeakPolarHBondContact CA-O 3.28Å; E36-L89 WeakPolarHBondContact CB-O 3.41Å; E36-R91 HydrophobicContact CB-CB 4.25Å; E36-R91 IonicContact OE1-NE 2.66Å; E36-R91 WeakPolarHBondContact OE2-CA 3.4Å; E36-R91 WeakPolarHBondContact OE2-CB 3.26Å; E36-R91 PolarHBondContact OE2-N 3.45Å; E36-E92 VanDerWaalsContact OE2-OE2 3.08Å; E36-V122 HydrophobicContact CB-CG1 3.7Å; E36-R123 PolarHBondContact N-O 3.24Å; E36-D124 WeakPolarHBondContact OE1-CA 3.24Å; E36-I125 HydrophobicContact CG-CB 3.93Å; E36-I125 HydrophobicContact CG-CD1 4.3Å; E36-I125 HydrophobicContact CG-CG1 3.96Å; E36-I125 WeakPolarHBondContact O-CD1 3.22Å; E36-I125 PolarHBondContact OE1-N 2.85Å
37E87.3Confident81Confident65 Ų6559 Ų5930%0.30433%0.327SS..THydrogen-bonded Turntrans52.413.4-179.9-69.9-73.376.700115.1K88 L89 I125E37-K88 VanDerWaalsContact C-CE 3.49Å; E37-K88 VanDerWaalsContact CD-CE 3.44Å; E37-K88 WeakPolarHBondContact O-CE 3.43Å; E37-K88 WeakPolarHBondContact OE1-CD 3.27Å; E37-K88 WeakPolarHBondContact OE1-CE 3.15Å; E37-K88 WeakPolarHBondContact OE1-CG 3.4Å; E37-K88 IonicContact OE1-NZ 3.08Å; E37-K88 PolarHBondContact OE1-NZ 2.76Å; E37-K88 VanDerWaalsContact OE1-NZ 3.13Å; E37-K88 WeakPolarHBondContact OE2-CE 3.31Å; E37-K88 IonicContact OE2-NZ 3.96Å; E37-K88 PolarHBondContact OE2-NZ 2.86Å; E37-L89 PolarHBondContact N-O 2.72Å; E37-I125 HydrophobicContact CB-CD1 4.45Å
38T88.5Confident82.7Confident26 Ų2655.8 Ų55.816%0.1630%0.304CS..PPolyproline II helixtrans-76.2135.4-178.9-680000109.9V34 L35 E36 T42 L85V34-T38 HydrophobicContact CG2-CG2 4.05Å; L35-T38 WeakPolarHBondContact O-CB 3.37Å; L35-T38 PolarHBondContact O-OG1 3.08Å; E36-T38 PolarHBondContact O-N 2.85Å; E36-T38 PolarHBondContact O-OG1 2.92Å; T38-T42 HydrophobicContact CG2-CG2 3.59Å; T38-T42 WeakPolarHBondContact CG2-OG1 3.35Å; T38-L85 HydrophobicContact CG2-CD2 3.96Å; T38-L85 WeakPolarHBondContact O-CD2 3.32Å
39E86.8Confident84.1Confident132 Ų13254.9 Ų54.962%0.61730%0.297SS*.PPolyproline II helixtrans-60.3145.2-176.8-73.6-66.8171.600113.1T42E39-T42 VanDerWaalsContact O-CB 3.28Å; E39-T42 WeakPolarHBondContact O-CB 3.5Å; E39-T42 PolarHBondContact O-N 3.33Å; E39-T42 PolarHBondContact O-OG1 2.88Å
40S85.6Confident84.7Confident64 Ų6454.8 Ų54.845%0.44829%0.291SS..THydrogen-bonded Turntrans-61144175.11790000111.3T42 N86S40-T42 VanDerWaalsContact C-N 3.31Å; S40-N86 VanDerWaalsContact OG-C 3.31Å; S40-N86 PolarHBondContact OG-O 2.89Å
41G82.1Confident84.6Confident35 Ų3553.9 Ų53.936%0.36129%0.286SS..THydrogen-bonded Turntrans83.4-2-173.300000114.6L85G41-L85 WeakPolarHBondContact CA-O 3.31Å; G41-L85 PolarHBondContact N-O 2.97Å
42T87.4Confident84.2Confident51 Ų5151.8 Ų51.831%0.31330%0.295SS..  trans-64.6137.3177.4-61.30000111.5T38 E39 S40 V44 L84 L85T38-T42 HydrophobicContact CG2-CG2 3.59Å; T38-T42 WeakPolarHBondContact CG2-OG1 3.35Å; E39-T42 VanDerWaalsContact O-CB 3.28Å; E39-T42 WeakPolarHBondContact O-CB 3.5Å; E39-T42 PolarHBondContact O-N 3.33Å; E39-T42 PolarHBondContact O-OG1 2.88Å; S40-T42 VanDerWaalsContact C-N 3.31Å; T42-V44 PolarHBondContact O-N 2.88Å; T42-L84 CarbonylContact O-C 3.59Å; T42-L84 WeakPolarHBondContact O-CA 3.45Å; T42-L85 PolarHBondContact O-N 2.93Å
43F88.6Confident83.7Confident118 Ų11852.4 Ų52.452%0.51830%0.299SS..EExtended strand (participates in β ladder)trans-66.9126.2176.3173.3-87.6000111.8A45 N46 D82 L84F43-A45 VanDerWaalsContact CZ-C 3.43Å; F43-N46 HydrophobicContact CE2-CB 4.46Å; F43-N46 HydrophobicContact CZ-CB 4.32Å; F43-D82 HydrophobicContact CD2-CB 3.77Å; F43-D82 HydrophobicContact CE2-CB 3.76Å; F43-L84 HydrophobicContact CB-CD2 4.21Å
44V85.9Confident83.1Confident24 Ų2459.8 Ų59.815%0.14532%0.319CS..EExtended strand (participates in β ladder)trans-104.1-48.3177.5-179.50000111.2Y32 V34 T42 L74 L83 L85 L120Y32-V44 HydrophobicContact CG-CG1 4.48Å; V34-V44 HydrophobicContact CG2-CG2 4.43Å; T42-V44 PolarHBondContact O-N 2.88Å; V44-L74 HydrophobicContact CG2-CD2 3.91Å; V44-L83 HydrophobicContact CB-CB 4.46Å; V44-L83 HydrophobicContact CB-CD2 4.48Å; V44-L83 HydrophobicContact CB-CG 4.22Å; V44-L83 WeakPolarHBondContact CB-O 3.31Å; V44-L83 HydrophobicContact CG1-CD2 4.26Å; V44-L83 PolarHBondContact N-O 3.39Å; V44-L85 HydrophobicContact CG2-CB 4.49Å; V44-L120 HydrophobicContact CG1-CD1 4.07Å
45A84.8Confident82.1Confident6 Ų666.5 Ų66.55%0.0536%0.36CS..EExtended strand (participates in β ladder)trans-165.7163.5-178.600000114.2Y32 F43 L83Y32-A45 HydrophobicContact CD1-CB 3.35Å; Y32-A45 HydrophobicContact CE1-CB 3.17Å; Y32-A45 HydrophobicContact CG-CB 4.21Å; F43-A45 VanDerWaalsContact CZ-C 3.43Å; A45-L83 HydrophobicContact CB-CB 4.35Å; A45-L83 HydrophobicContact CB-CD2 4.3Å; A45-L83 PolarHBondContact N-O 2.89Å; A45-L83 WeakPolarHBondContact O-CB 3.17Å; A45-L83 PolarHBondContact O-N 3.38Å
46N84.4Confident81.3Confident45 Ų4564.4 Ų64.424%0.24136%0.36CS..  trans-100.593.2173.6-177.4-83.7000110.4F43 T48 K49 D50 D82F43-N46 HydrophobicContact CE2-CB 4.46Å; F43-N46 HydrophobicContact CZ-CB 4.32Å; N46-T48 PolarHBondContact ND2-OG1 3.06Å; N46-T48 PolarHBondContact O-N 3.24Å; N46-T48 VanDerWaalsContact O-N 3.15Å; N46-T48 PolarHBondContact OD1-N 2.9Å; N46-T48 PolarHBondContact OD1-OG1 2.78Å; N46-K49 HydrophobicContact CB-CB 4.33Å; N46-K49 PolarHBondContact O-N 2.76Å; N46-K49 VanDerWaalsContact O-N 3.09Å; N46-K49 WeakPolarHBondContact OD1-CB 3.25Å; N46-K49 PolarHBondContact OD1-N 3.26Å; N46-D50 PolarHBondContact O-N 3.25Å; N46-D50 VanDerWaalsContact O-N 3.12Å; N46-D82 WeakPolarHBondContact CB-OD1 3.41Å; N46-D82 PolarHBondContact ND2-OD1 3.31Å
47L80.3Confident80.7Confident1 Ų167 Ų671%0.00537%0.372CS..Hα-helixtrans-58.7-28.7-176.9-88.8163.6000114.3Y32 L51 L58 L76 L83 V107Y32-L47 HydrophobicContact CE2-CD2 4.48Å; Y32-L47 VanDerWaalsContact OH-CD2 3.31Å; Y32-L47 WeakPolarHBondContact OH-CD2 3.3Å; L47-L51 HydrophobicContact CD2-CD1 3.84Å; L47-L51 HydrophobicContact CD2-CG 4.11Å; L47-L51 VanDerWaalsContact O-CB 3.22Å; L47-L51 WeakPolarHBondContact O-CB 3.35Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.43Å; L47-L51 VanDerWaalsContact O-N 3.1Å; L47-L58 HydrophobicContact CB-CD1 3.76Å; L47-L76 HydrophobicContact CD1-CD2 3.54Å; L47-L83 HydrophobicContact CD1-CB 3.96Å; L47-L83 HydrophobicContact CD1-CD1 3.88Å; L47-L83 HydrophobicContact CD1-CD2 4.22Å; L47-L83 HydrophobicContact CD1-CG 4.26Å; L47-L83 HydrophobicContact CG-CB 4.28Å; L47-L83 HydrophobicContact CG-CD2 4.42Å; L47-V107 HydrophobicContact CD1-CG2 4.37Å; L47-V107 HydrophobicContact CD2-CG2 3.94Å
48T76Confident80.3Confident22 Ų2264 Ų6414%0.13536%0.358CS..Hα-helixtrans-62-46175.123.90000112N46 G52 L53 L58N46-T48 PolarHBondContact ND2-OG1 3.06Å; N46-T48 PolarHBondContact O-N 3.24Å; N46-T48 VanDerWaalsContact O-N 3.15Å; N46-T48 PolarHBondContact OD1-N 2.9Å; N46-T48 PolarHBondContact OD1-OG1 2.78Å; T48-G52 PolarHBondContact O-N 3.23Å; T48-L53 PolarHBondContact O-N 2.89Å; T48-L58 HydrophobicContact CG2-CB 4.4Å; T48-L58 HydrophobicContact CG2-CD1 3.75Å; T48-L58 HydrophobicContact CG2-CG 3.8Å
49K77.7Confident79.5Confident165 Ų16565.2 Ų65.272%0.71737%0.371SS*.Hα-helixtrans-71.5-44.9-177.6-176.9-173.9177.9-167.90110.9N46 L51 G52N46-K49 HydrophobicContact CB-CB 4.33Å; N46-K49 PolarHBondContact O-N 2.76Å; N46-K49 VanDerWaalsContact O-N 3.09Å; N46-K49 WeakPolarHBondContact OD1-CB 3.25Å; N46-K49 PolarHBondContact OD1-N 3.26Å; K49-L51 VanDerWaalsContact C-N 3.33Å; K49-L51 PolarHBondContact O-N 3.35Å; K49-G52 PolarHBondContact O-N 2.8Å; K49-G52 VanDerWaalsContact O-N 3.12Å
50D79.4Confident79Confident74 Ų7462.8 Ų62.840%0.39637%0.374SS..Hα-helixtrans-75.8-23.4-172.7-57.3-25.3000112.2N46N46-D50 PolarHBondContact O-N 3.25Å; N46-D50 VanDerWaalsContact O-N 3.12Å
51L75.9Confident78.9Confident22 Ų2260.8 Ų60.812%0.11536%0.356CS..THydrogen-bonded Turntrans-91.5-0.2169.7-62.4175.5000114I30 L47 K49 L53 L58 V107 F116I30-L51 HydrophobicContact CD1-CD2 3.53Å; I30-L51 HydrophobicContact CD1-CG 4.47Å; L47-L51 HydrophobicContact CD2-CD1 3.84Å; L47-L51 HydrophobicContact CD2-CG 4.11Å; L47-L51 VanDerWaalsContact O-CB 3.22Å; L47-L51 WeakPolarHBondContact O-CB 3.35Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.43Å; L47-L51 VanDerWaalsContact O-N 3.1Å; K49-L51 VanDerWaalsContact C-N 3.33Å; K49-L51 PolarHBondContact O-N 3.35Å; L51-L53 VanDerWaalsContact C-N 3.28Å; L51-L53 HydrophobicContact CB-CD1 3.82Å; L51-L53 HydrophobicContact CB-CG 3.8Å; L51-L53 HydrophobicContact CD1-CD1 4.04Å; L51-L53 PolarHBondContact O-N 2.86Å; L51-L58 HydrophobicContact CD1-CD2 4.3Å; L51-V107 HydrophobicContact CD1-CG1 4.36Å; L51-F116 HydrophobicContact CD1-CD2 4.07Å; L51-F116 HydrophobicContact CD1-CE2 4.3Å; L51-F116 HydrophobicContact CD2-CB 3.89Å; L51-F116 HydrophobicContact CD2-CD1 3.52Å; L51-F116 HydrophobicContact CD2-CD2 3.75Å; L51-F116 HydrophobicContact CD2-CE1 3.91Å; L51-F116 HydrophobicContact CD2-CE2 4.12Å; L51-F116 HydrophobicContact CD2-CG 3.43Å; L51-F116 VanDerWaalsContact CD2-CG 3.43Å; L51-F116 HydrophobicContact CD2-CZ 4.19Å
52G75.3Confident78.7Confident69 Ų6960.2 Ų60.271%0.71135%0.351SS*.THydrogen-bonded Turntrans6623.2-179.600000115.2T48 K49T48-G52 PolarHBondContact O-N 3.23Å; K49-G52 PolarHBondContact O-N 2.8Å; K49-G52 VanDerWaalsContact O-N 3.12Å
53L76.9Confident78.4Confident29 Ų2958.2 Ų58.215%0.15234%0.339CS..PPolyproline II helixtrans-88.7155.8-174.7-59.1174.5000111.9T48 L51 E57 L58 L109T48-L53 PolarHBondContact O-N 2.89Å; L51-L53 VanDerWaalsContact C-N 3.28Å; L51-L53 HydrophobicContact CB-CD1 3.82Å; L51-L53 HydrophobicContact CB-CG 3.8Å; L51-L53 HydrophobicContact CD1-CD1 4.04Å; L51-L53 PolarHBondContact O-N 2.86Å; L53-E57 HydrophobicContact CB-CB 4.3Å; L53-L58 HydrophobicContact CD1-CD2 3.48Å; L53-L58 VanDerWaalsContact CD1-CD2 3.48Å; L53-L58 HydrophobicContact CD1-CG 4.13Å; L53-L109 HydrophobicContact CD1-CD1 4.03Å
54R75.3Confident78.1Confident206 Ų20659.5 Ų59.578%0.77734%0.341SS*.PPolyproline II helixtrans-74.3153179-64.7-177.4-179.6-179.51.3111.4G56 E57R54-G56 PolarHBondContact O-N 2.97Å; R54-E57 HydrophobicContact CB-CB 4.42Å; R54-E57 PolarHBondContact N-OE2 2.92Å; R54-E57 WeakPolarHBondContact O-CB 3.41Å; R54-E57 PolarHBondContact O-N 3.29Å
55V70.1Confident78Confident152 Ų15258.9 Ų58.992%0.92134%0.336SS*.THydrogen-bonded Turntrans-57125.4177.8-176.70000110
56G70.6Confident77.9Confident47 Ų4762 Ų6249%0.48536%0.355SS..THydrogen-bonded Turntrans88.7-10.4-175.300000115.6R54 A59 A60R54-G56 PolarHBondContact O-N 2.97Å; G56-A59 PolarHBondContact O-N 3.28Å; G56-A60 PolarHBondContact O-N 2.95Å
57E76.1Confident78Confident54 Ų5460.8 Ų60.825%0.25235%0.347SS..Hα-helixtrans-68.1-38.1-174.8-169.6179160.100113L53 R54 A59 A60 R61L53-E57 HydrophobicContact CB-CB 4.3Å; R54-E57 HydrophobicContact CB-CB 4.42Å; R54-E57 PolarHBondContact N-OE2 2.92Å; R54-E57 WeakPolarHBondContact O-CB 3.41Å; R54-E57 PolarHBondContact O-N 3.29Å; E57-A59 VanDerWaalsContact C-N 3.27Å; E57-A59 PolarHBondContact O-N 2.85Å; E57-A60 PolarHBondContact O-N 2.7Å; E57-R61 VanDerWaalsContact CG-CD 3.46Å; E57-R61 HydrophobicContact CG-CG 4.01Å; E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 VanDerWaalsContact O-CG 3.26Å; E57-R61 WeakPolarHBondContact O-CG 3.08Å; E57-R61 PolarHBondContact O-N 3.24Å; E57-R61 VanDerWaalsContact OE1-CD 3.31Å; E57-R61 WeakPolarHBondContact OE1-CD 3.43Å; E57-R61 IonicContact OE1-CZ 2.7Å; E57-R61 IonicContact OE1-NH1 2.74Å; E57-R61 PolarHBondContact OE1-NH1 2.61Å; E57-R61 VanDerWaalsContact OE1-NH1 3.08Å
58L77.6Confident77.7Confident2 Ų270 Ų701%0.0139%0.387CS..Hα-helixtrans-57.7-38175.2-75-176.9000113.1L47 T48 L51 L53 G62 A63 R81 L109L47-L58 HydrophobicContact CB-CD1 3.76Å; T48-L58 HydrophobicContact CG2-CB 4.4Å; T48-L58 HydrophobicContact CG2-CD1 3.75Å; T48-L58 HydrophobicContact CG2-CG 3.8Å; L51-L58 HydrophobicContact CD1-CD2 4.3Å; L53-L58 HydrophobicContact CD1-CD2 3.48Å; L53-L58 VanDerWaalsContact CD1-CD2 3.48Å; L53-L58 HydrophobicContact CD1-CG 4.13Å; L58-G62 PolarHBondContact O-N 2.68Å; L58-A63 HydrophobicContact CB-CB 4.13Å; L58-A63 HydrophobicContact CD2-CB 3.91Å; L58-A63 WeakPolarHBondContact O-CB 3.33Å; L58-A63 PolarHBondContact O-N 3.47Å; L58-A63 VanDerWaalsContact O-N 3.09Å; L58-R81 HydrophobicContact CB-CB 4.38Å; L58-R81 HydrophobicContact CD1-CB 4.2Å; L58-L109 HydrophobicContact CD2-CD2 3.73Å
59A72.6Confident77.3Confident52 Ų5271.3 Ų71.343%0.4341%0.405SS..Hα-helixtrans-73.1-44.1178.800000111.3G56 E57 R61 G62G56-A59 PolarHBondContact O-N 3.28Å; E57-A59 VanDerWaalsContact C-N 3.27Å; E57-A59 PolarHBondContact O-N 2.85Å; A59-R61 VanDerWaalsContact C-N 3.26Å; A59-R61 PolarHBondContact O-N 2.93Å; A59-G62 PolarHBondContact O-N 2.93Å
60A76.6Confident76.6Confident81 Ų8171.9 Ų71.967%0.66942%0.416SS*.Hα-helixtrans-63.6-30.3177.100000113.1G56 E57G56-A60 PolarHBondContact O-N 2.95Å; E57-A60 PolarHBondContact O-N 2.7Å
61R82.8Confident76.4Confident21 Ų2175.3 Ų75.38%0.07942%0.424CS..THydrogen-bonded Turntrans-96.57.2-177.5-59.3-175.163.2-161.7-13.3114.3E57 A59 L109 E110 N111 P112E57-R61 VanDerWaalsContact CG-CD 3.46Å; E57-R61 HydrophobicContact CG-CG 4.01Å; E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 VanDerWaalsContact O-CG 3.26Å; E57-R61 WeakPolarHBondContact O-CG 3.08Å; E57-R61 PolarHBondContact O-N 3.24Å; E57-R61 VanDerWaalsContact OE1-CD 3.31Å; E57-R61 WeakPolarHBondContact OE1-CD 3.43Å; E57-R61 IonicContact OE1-CZ 2.7Å; E57-R61 IonicContact OE1-NH1 2.74Å; E57-R61 PolarHBondContact OE1-NH1 2.61Å; E57-R61 VanDerWaalsContact OE1-NH1 3.08Å; A59-R61 VanDerWaalsContact C-N 3.26Å; A59-R61 PolarHBondContact O-N 2.93Å; R61-L109 HydrophobicContact CB-CB 4.38Å; R61-E110 PolarHBondContact O-N 2.86Å; R61-N111 WeakPolarHBondContact CD-O 2.9Å; R61-N111 WeakPolarHBondContact CG-O 3.18Å; R61-N111 PolarHBondContact NE-O 2.87Å; R61-P112 PolarHBondContact NH2-O 2.89Å
62G78.3Confident76.7Confident24 Ų2479.5 Ų79.525%0.24744%0.443CS..THydrogen-bonded Turntrans66.242.7172.500000114.2L58 A59 R64L58-G62 PolarHBondContact O-N 2.68Å; A59-G62 PolarHBondContact O-N 2.93Å; G62-R64 PolarHBondContact O-N 2.68Å
63A80.6Confident77.2Confident8 Ų877 Ų777%0.06641%0.412CS..  trans-57.1133.2-174.900000113.7L58 L76 L108 L109L58-A63 HydrophobicContact CB-CB 4.13Å; L58-A63 HydrophobicContact CD2-CB 3.91Å; L58-A63 WeakPolarHBondContact O-CB 3.33Å; L58-A63 PolarHBondContact O-N 3.47Å; L58-A63 VanDerWaalsContact O-N 3.09Å; A63-L76 HydrophobicContact CB-CD1 3.8Å; A63-L76 WeakPolarHBondContact O-CD1 3.15Å; A63-L108 CarbonylContact C-O 3.57Å; A63-L108 WeakPolarHBondContact CA-O 3.05Å; A63-L109 HydrophobicContact CB-CD2 3.61Å
64R81.9Confident77.6Confident146 Ų14675.7 Ų75.755%0.55141%0.405SS*.EExtended strand (participates in β ladder)trans-134.7151.8175.3-56.9-172.4-162.5-152.84.6111.5G62 V107 L108 E110G62-R64 PolarHBondContact O-N 2.68Å; R64-V107 WeakPolarHBondContact O-CA 3.42Å; R64-L108 PolarHBondContact N-O 2.92Å; R64-L108 PolarHBondContact O-N 3.25Å; R64-E110 IonicContact CZ-OE1 2.94Å; R64-E110 IonicContact NE-OE1 3.85Å; R64-E110 PolarHBondContact NE-OE1 2.7Å; R64-E110 IonicContact NH2-OE1 2.64Å; R64-E110 PolarHBondContact NH2-OE1 2.82Å; R64-E110 IonicContact NH2-OE2 3.05Å
65I85.6Confident78.2Confident10 Ų1069.3 Ų69.35%0.05138%0.384CS..EExtended strand (participates in β ladder)trans-106.5135.6174.9-58.4159.7000108.8F67 Q72 L74 L76 L83 F105I65-F67 HydrophobicContact CG2-CD2 4Å; I65-F67 HydrophobicContact CG2-CE2 3.7Å; I65-Q72 PolarHBondContact O-NE2 3.43Å; I65-L74 HydrophobicContact CD1-CB 4.15Å; I65-L76 HydrophobicContact CD1-CD2 3.84Å; I65-L76 HydrophobicContact CD1-CG 3.74Å; I65-L76 HydrophobicContact CG1-CD2 4.32Å; I65-L76 HydrophobicContact CG1-CG 4.16Å; I65-L83 HydrophobicContact CD1-CD1 3.32Å; I65-L83 HydrophobicContact CG1-CD1 4.28Å; I65-F105 HydrophobicContact CG2-CD2 3.79Å; I65-F105 HydrophobicContact CG2-CE2 4.27Å
66V82.7Confident78.9Confident72 Ų7263.4 Ų63.444%0.43635%0.347SS..EExtended strand (participates in β ladder)trans-131.7120.2179.1-174.70000109.9F105 Q106V66-F105 WeakPolarHBondContact O-CA 3.18Å; V66-Q106 PolarHBondContact N-O 3.41Å; V66-Q106 PolarHBondContact O-N 3.49Å
67F85.1Confident79.4Confident19 Ų1962.9 Ų62.98%0.08333%0.334CS..EExtended strand (participates in β ladder)trans-96.1165.2170.6-80.5-93.1000111.1I65 G69 R71 H73 L74 L103 F105I65-F67 HydrophobicContact CG2-CD2 4Å; I65-F67 HydrophobicContact CG2-CE2 3.7Å; F67-G69 PolarHBondContact O-N 2.95Å; F67-R71 WeakPolarHBondContact CB-O 3.35Å; F67-H73 AromaticContact CD1-CD2 3.6Å; F67-H73 HydrophobicContact CE1-CB 4.14Å; F67-H73 AromaticContact CE1-CD2 3.75Å; F67-H73 HydrophobicContact CE2-CB 4.08Å; F67-H73 HydrophobicContact CZ-CB 3.85Å; F67-L74 HydrophobicContact CE2-CB 3.92Å; F67-L74 HydrophobicContact CE2-CD1 4.2Å; F67-L74 HydrophobicContact CE2-CG 4Å; F67-L74 HydrophobicContact CZ-CB 4.22Å; F67-L74 HydrophobicContact CZ-CD1 3.74Å; F67-L74 HydrophobicContact CZ-CG 3.76Å; F67-L103 HydrophobicContact CE1-CB 4.1Å; F67-F105 HydrophobicContact CD1-CB 3.67Å; F67-F105 HydrophobicContact CD2-CB 4.06Å; F67-F105 HydrophobicContact CE1-CB 3.57Å; F67-F105 AromaticContact CE1-CD1 3.98Å; F67-F105 HydrophobicContact CE1-CD1 3.98Å; F67-F105 HydrophobicContact CE1-CG 4.06Å; F67-F105 HydrophobicContact CE2-CB 3.96Å; F67-F105 HydrophobicContact CE2-CG 4.23Å; F67-F105 HydrophobicContact CG-CB 3.91Å; F67-F105 HydrophobicContact CZ-CB 3.71Å; F67-F105 AromaticContact CZ-CD1 3.84Å; F67-F105 HydrophobicContact CZ-CD1 3.84Å; F67-F105 AromaticContact CZ-CG 3.84Å; F67-F105 HydrophobicContact CZ-CG 3.84Å
68K75.1Confident79.4Confident195 Ų19565.1 Ų65.185%0.84835%0.353SS*.SBendtrans-78.9102.8175.2-174.6-178.6175.9-173.20109.9
69G66.7Low79.4Confident49 Ų4973.9 Ų73.951%0.50539%0.394SS..SBendtrans97148.7-168.100000110.3F67 R71F67-G69 PolarHBondContact O-N 2.95Å; G69-R71 PolarHBondContact O-N 2.9Å
70N62.4Low79.6Confident178 Ų17875.1 Ų75.195%0.95240%0.396SS*.SBendtrans-72.913.1-165.7-69.8-4.7000115.6
71R76.5Confident79.8Confident146 Ų14675 Ų7555%0.55138%0.378SS*.  trans-83.4125.2170.1-74.3-172173.8179.9-4.1109F67 G69 E93F67-R71 WeakPolarHBondContact CB-O 3.35Å; G69-R71 PolarHBondContact O-N 2.9Å; R71-E93 IonicContact NH1-OE1 4Å; R71-E93 PolarHBondContact NH1-OE1 3.48Å
72Q81.6Confident79.9Confident110 Ų11075.1 Ų75.151%0.51438%0.381SS..  trans-102.597.2176.8-71.6-176.3-22.200109.3I65 L74 N86I65-Q72 PolarHBondContact O-NE2 3.43Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 2.82Å; Q72-N86 WeakPolarHBondContact O-CB 3.26Å; Q72-N86 PolarHBondContact O-ND2 2.96Å
73H85Confident80.3Confident16 Ų1674 Ų747%0.07437%0.369CS..  trans-72.3-22.9179.5-57.5-57.7000113.1F67 N86 E87 L89F67-H73 AromaticContact CD1-CD2 3.6Å; F67-H73 HydrophobicContact CE1-CB 4.14Å; F67-H73 AromaticContact CE1-CD2 3.75Å; F67-H73 HydrophobicContact CE2-CB 4.08Å; F67-H73 HydrophobicContact CZ-CB 3.85Å; H73-N86 PolarHBondContact O-N 3.27Å; H73-E87 IonicContact CE1-OE1 2.85Å; H73-E87 PolarHBondContact CE1-OE1 3.13Å; H73-E87 VanDerWaalsContact CE1-OE1 3.29Å; H73-E87 IonicContact CG-OE1 3.15Å; H73-E87 IonicContact ND1-OE1 3.75Å; H73-E87 PolarHBondContact ND1-OE1 2.57Å; H73-L89 HydrophobicContact CB-CD2 3.94Å
74L86.3Confident80.6Confident1 Ų174.8 Ų74.81%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-126.9147.3179.6-57.6171.7000110.9V44 I65 F67 Q72 L83 L84 L85 F105 L120V44-L74 HydrophobicContact CG2-CD2 3.91Å; I65-L74 HydrophobicContact CD1-CB 4.15Å; F67-L74 HydrophobicContact CE2-CB 3.92Å; F67-L74 HydrophobicContact CE2-CD1 4.2Å; F67-L74 HydrophobicContact CE2-CG 4Å; F67-L74 HydrophobicContact CZ-CB 4.22Å; F67-L74 HydrophobicContact CZ-CD1 3.74Å; F67-L74 HydrophobicContact CZ-CG 3.76Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 2.82Å; L74-L83 HydrophobicContact CB-CD1 3.74Å; L74-L83 HydrophobicContact CB-CG 4.48Å; L74-L83 HydrophobicContact CD1-CD1 3.86Å; L74-L83 HydrophobicContact CD1-CD2 3.97Å; L74-L83 HydrophobicContact CD1-CG 4.03Å; L74-L83 HydrophobicContact CG-CD1 4.3Å; L74-L84 WeakPolarHBondContact CA-O 3.5Å; L74-L85 HydrophobicContact CD2-CD1 3.87Å; L74-F105 HydrophobicContact CD1-CD1 4.29Å; L74-F105 HydrophobicContact CD1-CE1 3.76Å; L74-F105 HydrophobicContact CD1-CE2 4.28Å; L74-F105 HydrophobicContact CD1-CZ 3.74Å; L74-L120 HydrophobicContact CD1-CB 4.5Å; L74-L120 HydrophobicContact CD1-CD1 4.4Å; L74-L120 HydrophobicContact CD1-CD2 4.11Å; L74-L120 HydrophobicContact CD2-CD2 3.99Å; L74-L120 HydrophobicContact CG-CD2 4.1Å
75Q87.4Confident81Confident72 Ų7267.9 Ų67.934%0.33635%0.346SS..EExtended strand (participates in β ladder)trans-127.816617661-179.8-24.500110.9L84 L85 N86Q75-L84 HydrophobicContact CG-CB 4.08Å; Q75-L84 PolarHBondContact N-O 3.41Å; Q75-L84 PolarHBondContact O-N 2.82Å; Q75-L85 PolarHBondContact NE2-O 2.89Å; Q75-N86 HydrophobicContact CB-CB 4.22Å; Q75-N86 HydrophobicContact CG-CB 4.09Å
76L84.6Confident81.1Confident28 Ų2870.1 Ų70.115%0.14736%0.358CS..EExtended strand (participates in β ladder)trans-101.9131.5172.7-66.9175.1000109.6L47 A63 I65 D82L47-L76 HydrophobicContact CD1-CD2 3.54Å; A63-L76 HydrophobicContact CB-CD1 3.8Å; A63-L76 WeakPolarHBondContact O-CD1 3.15Å; I65-L76 HydrophobicContact CD1-CD2 3.84Å; I65-L76 HydrophobicContact CD1-CG 3.74Å; I65-L76 HydrophobicContact CG1-CD2 4.32Å; I65-L76 HydrophobicContact CG1-CG 4.16Å; L76-D82 WeakPolarHBondContact CA-O 3.44Å
77D81.8Confident81.3Confident37 Ų3770 Ų7020%0.19835%0.352CS..  trans-58132173.2-175.3-90.5000110.7Q79 T80 R81 D82 L84D77-Q79 VanDerWaalsContact C-N 3.27Å; D77-Q79 PolarHBondContact O-N 3.42Å; D77-Q79 WeakPolarHBondContact OD1-CA 3.46Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.27Å; D77-Q79 PolarHBondContact OD1-N 3.5Å; D77-T80 WeakPolarHBondContact CB-OG1 3.5Å; D77-T80 PolarHBondContact OD1-N 3.15Å; D77-T80 PolarHBondContact OD1-OG1 2.69Å; D77-R81 VanDerWaalsContact O-CA 3.25Å; D77-R81 WeakPolarHBondContact O-CA 3.36Å; D77-R81 VanDerWaalsContact O-CD 3.3Å; D77-R81 WeakPolarHBondContact O-CD 3.44Å; D77-R81 PolarHBondContact O-N 3.1Å; D77-D82 PolarHBondContact N-O 3.09Å; D77-L84 HydrophobicContact CB-CD1 3.82Å; D77-L84 HydrophobicContact CB-CG 4.11Å
78P75.9Confident81.4Confident101 Ų10173.8 Ų73.866%0.65637%0.369SS*.THydrogen-bonded Turntrans-59.9-33.7-178-26.235.4000114.4R81P78-R81 PolarHBondContact O-NE 3.46Å; P78-R81 PolarHBondContact O-NH2 3.33Å
79Q78.3Confident82Confident185 Ų18564.7 Ų64.786%0.86433%0.329SS*.THydrogen-bonded Turntrans-97.1-52.9-173.3-56.5-170.813.400112.6D77D77-Q79 VanDerWaalsContact C-N 3.27Å; D77-Q79 PolarHBondContact O-N 3.42Å; D77-Q79 WeakPolarHBondContact OD1-CA 3.46Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.27Å; D77-Q79 PolarHBondContact OD1-N 3.5Å
80T76.9Confident83.1Confident78 Ų7865.3 Ų65.348%0.47932%0.321SS..THydrogen-bonded Turntrans-88.5-22.9-175.4710000113.1D77 D82D77-T80 WeakPolarHBondContact CB-OG1 3.5Å; D77-T80 PolarHBondContact OD1-N 3.15Å; D77-T80 PolarHBondContact OD1-OG1 2.69Å; T80-D82 WeakPolarHBondContact CB-OD2 3.33Å; T80-D82 PolarHBondContact O-N 3.12Å; T80-D82 WeakPolarHBondContact OG1-CB 3.37Å; T80-D82 PolarHBondContact OG1-N 2.92Å; T80-D82 PolarHBondContact OG1-OD2 3.12Å
81R80.1Confident84.4Confident79 Ų7957 Ų5730%0.29828%0.276SS..  trans59.724.6-171.6-57.8-70.9165146.9-1.6114.1L58 D77 P78L58-R81 HydrophobicContact CB-CB 4.38Å; L58-R81 HydrophobicContact CD1-CB 4.2Å; D77-R81 VanDerWaalsContact O-CA 3.25Å; D77-R81 WeakPolarHBondContact O-CA 3.36Å; D77-R81 VanDerWaalsContact O-CD 3.3Å; D77-R81 WeakPolarHBondContact O-CD 3.44Å; D77-R81 PolarHBondContact O-N 3.1Å; P78-R81 PolarHBondContact O-NE 3.46Å; P78-R81 PolarHBondContact O-NH2 3.33Å
82D84.5Confident85Confident24 Ų2451.2 Ų51.213%0.12826%0.256CS..  trans-66.1153.3164.9-66.5-49.1000111.1F43 N46 L76 D77 T80 L84F43-D82 HydrophobicContact CD2-CB 3.77Å; F43-D82 HydrophobicContact CE2-CB 3.76Å; N46-D82 WeakPolarHBondContact CB-OD1 3.41Å; N46-D82 PolarHBondContact ND2-OD1 3.31Å; L76-D82 WeakPolarHBondContact CA-O 3.44Å; D77-D82 PolarHBondContact N-O 3.09Å; T80-D82 WeakPolarHBondContact CB-OD2 3.33Å; T80-D82 PolarHBondContact O-N 3.12Å; T80-D82 WeakPolarHBondContact OG1-CB 3.37Å; T80-D82 PolarHBondContact OG1-N 2.92Å; T80-D82 PolarHBondContact OG1-OD2 3.12Å; D82-L84 HydrophobicContact CB-CD2 4.29Å; D82-L84 PolarHBondContact O-N 2.89Å
83L86.6Confident85.2Confident0 Ų052.4 Ų52.40%026%0.261CS..EExtended strand (participates in β ladder)trans-80.2110.9173.9-171.657.8000108.2Y32 V44 A45 L47 I65 L74 F105Y32-L83 HydrophobicContact CD2-CD2 3.81Å; Y32-L83 HydrophobicContact CE2-CD2 3.78Å; Y32-L83 HydrophobicContact CG-CD2 4.31Å; V44-L83 HydrophobicContact CB-CB 4.46Å; V44-L83 HydrophobicContact CB-CD2 4.48Å; V44-L83 HydrophobicContact CB-CG 4.22Å; V44-L83 WeakPolarHBondContact CB-O 3.31Å; V44-L83 HydrophobicContact CG1-CD2 4.26Å; V44-L83 PolarHBondContact N-O 3.39Å; A45-L83 HydrophobicContact CB-CB 4.35Å; A45-L83 HydrophobicContact CB-CD2 4.3Å; A45-L83 PolarHBondContact N-O 2.89Å; A45-L83 WeakPolarHBondContact O-CB 3.17Å; A45-L83 PolarHBondContact O-N 3.38Å; L47-L83 HydrophobicContact CD1-CB 3.96Å; L47-L83 HydrophobicContact CD1-CD1 3.88Å; L47-L83 HydrophobicContact CD1-CD2 4.22Å; L47-L83 HydrophobicContact CD1-CG 4.26Å; L47-L83 HydrophobicContact CG-CB 4.28Å; L47-L83 HydrophobicContact CG-CD2 4.42Å; I65-L83 HydrophobicContact CD1-CD1 3.32Å; I65-L83 HydrophobicContact CG1-CD1 4.28Å; L74-L83 HydrophobicContact CB-CD1 3.74Å; L74-L83 HydrophobicContact CB-CG 4.48Å; L74-L83 HydrophobicContact CD1-CD1 3.86Å; L74-L83 HydrophobicContact CD1-CD2 3.97Å; L74-L83 HydrophobicContact CD1-CG 4.03Å; L74-L83 HydrophobicContact CG-CD1 4.3Å; L83-F105 HydrophobicContact CD2-CZ 4.04Å
84L88.1Confident85.2Confident25 Ų2554.1 Ų54.113%0.13127%0.271CS..EExtended strand (participates in β ladder)trans-109.6152.3178.2-55-173.8000110.8T42 F43 L74 Q75 D77 D82T42-L84 CarbonylContact O-C 3.59Å; T42-L84 WeakPolarHBondContact O-CA 3.45Å; F43-L84 HydrophobicContact CB-CD2 4.21Å; L74-L84 WeakPolarHBondContact CA-O 3.5Å; Q75-L84 HydrophobicContact CG-CB 4.08Å; Q75-L84 PolarHBondContact N-O 3.41Å; Q75-L84 PolarHBondContact O-N 2.82Å; D77-L84 HydrophobicContact CB-CD1 3.82Å; D77-L84 HydrophobicContact CB-CG 4.11Å; D82-L84 HydrophobicContact CB-CD2 4.29Å; D82-L84 PolarHBondContact O-N 2.89Å
85L89Confident85.2Confident1 Ų155.3 Ų55.31%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-67.5138.3168.8-158.766.8000110.2T38 G41 T42 V44 L74 Q75 E87 L89T38-L85 HydrophobicContact CG2-CD2 3.96Å; T38-L85 WeakPolarHBondContact O-CD2 3.32Å; G41-L85 WeakPolarHBondContact CA-O 3.31Å; G41-L85 PolarHBondContact N-O 2.97Å; T42-L85 PolarHBondContact O-N 2.93Å; V44-L85 HydrophobicContact CG2-CB 4.49Å; L74-L85 HydrophobicContact CD2-CD1 3.87Å; Q75-L85 PolarHBondContact NE2-O 2.89Å; L85-E87 WeakPolarHBondContact CD2-O 3.14Å; L85-E87 VanDerWaalsContact CG-O 3.27Å; L85-E87 WeakPolarHBondContact CG-O 3.22Å; L85-L89 HydrophobicContact CD1-CD1 3.8Å; L85-L89 HydrophobicContact CD1-CG 4.05Å
86N87.5Confident85Confident57 Ų5753.3 Ų53.331%0.30528%0.277SS..  trans-99.1-36.9179.5-174.146.4000112.5S40 Q72 H73 Q75S40-N86 VanDerWaalsContact OG-C 3.31Å; S40-N86 PolarHBondContact OG-O 2.89Å; Q72-N86 WeakPolarHBondContact O-CB 3.26Å; Q72-N86 PolarHBondContact O-ND2 2.96Å; H73-N86 PolarHBondContact O-N 3.27Å; Q75-N86 HydrophobicContact CB-CB 4.22Å; Q75-N86 HydrophobicContact CG-CB 4.09Å
87E87Confident84.6Confident69 Ų6957 Ų5732%0.32231%0.306SS..SBendtrans-137.8154.5179.164.5-169.2179.800109.8H73 L85 L89H73-E87 IonicContact CE1-OE1 2.85Å; H73-E87 PolarHBondContact CE1-OE1 3.13Å; H73-E87 VanDerWaalsContact CE1-OE1 3.29Å; H73-E87 IonicContact CG-OE1 3.15Å; H73-E87 IonicContact ND1-OE1 3.75Å; H73-E87 PolarHBondContact ND1-OE1 2.57Å; L85-E87 WeakPolarHBondContact CD2-O 3.14Å; L85-E87 VanDerWaalsContact CG-O 3.27Å; L85-E87 WeakPolarHBondContact CG-O 3.22Å; E87-L89 HydrophobicContact CG-CD2 4.03Å; E87-L89 PolarHBondContact O-N 2.7Å
88K88.3Confident84.5Confident99 Ų9959.6 Ų59.643%0.4332%0.323SS..PPolyproline II helixtrans-62130.9171.4-158.3-177.3-161.5-156.10108.1E37E37-K88 VanDerWaalsContact C-CE 3.49Å; E37-K88 VanDerWaalsContact CD-CE 3.44Å; E37-K88 WeakPolarHBondContact O-CE 3.43Å; E37-K88 WeakPolarHBondContact OE1-CD 3.27Å; E37-K88 WeakPolarHBondContact OE1-CE 3.15Å; E37-K88 WeakPolarHBondContact OE1-CG 3.4Å; E37-K88 IonicContact OE1-NZ 3.08Å; E37-K88 PolarHBondContact OE1-NZ 2.76Å; E37-K88 VanDerWaalsContact OE1-NZ 3.13Å; E37-K88 WeakPolarHBondContact OE2-CE 3.31Å; E37-K88 IonicContact OE2-NZ 3.96Å; E37-K88 PolarHBondContact OE2-NZ 2.86Å
89L88.2Confident84.6Confident3 Ų360.1 Ų60.12%0.01632%0.317CS..PPolyproline II helixtrans-101.6123.3179.6-58.4-180000109V34 E36 E37 H73 L85 E87 L94 L103 L120 V122V34-L89 HydrophobicContact CG1-CD1 4.07Å; E36-L89 WeakPolarHBondContact CA-O 3.28Å; E36-L89 WeakPolarHBondContact CB-O 3.41Å; E37-L89 PolarHBondContact N-O 2.72Å; H73-L89 HydrophobicContact CB-CD2 3.94Å; L85-L89 HydrophobicContact CD1-CD1 3.8Å; L85-L89 HydrophobicContact CD1-CG 4.05Å; E87-L89 HydrophobicContact CG-CD2 4.03Å; E87-L89 PolarHBondContact O-N 2.7Å; L89-L94 HydrophobicContact CB-CD1 4.23Å; L89-L94 HydrophobicContact CD2-CD1 4.09Å; L89-L103 HydrophobicContact CD1-CD1 4.44Å; L89-L120 HydrophobicContact CD1-CD2 3.73Å; L89-V122 HydrophobicContact CD1-CG2 3.98Å
90D88.6Confident84.8Confident62 Ų6254.8 Ų54.833%0.33230%0.298SS..PPolyproline II helixtrans-99118169.4169.1-34.1000106.5E92 E93 L94D90-E92 WeakPolarHBondContact OD1-CA 2.99Å; D90-E92 PolarHBondContact OD1-N 2.84Å; D90-E93 HydrophobicContact CB-CB 4.42Å; D90-E93 PolarHBondContact OD1-N 3.21Å; D90-L94 WeakPolarHBondContact O-CB 3.48Å; D90-L94 VanDerWaalsContact O-CD1 3.27Å; D90-L94 WeakPolarHBondContact O-CD1 3.47Å; D90-L94 WeakPolarHBondContact O-CG 3.17Å; D90-L94 PolarHBondContact O-N 2.96Å
91R90.1Very high85.3Confident3 Ų351.3 Ų51.31%0.01128%0.277CS..Hα-helixtrans-78-29.7-175.4-175.5-153.164.880.9-2.5110.8E36 L94 C95 G96 C101 V122 D124 L159 T161E36-R91 HydrophobicContact CB-CB 4.25Å; E36-R91 IonicContact OE1-NE 2.66Å; E36-R91 WeakPolarHBondContact OE2-CA 3.4Å; E36-R91 WeakPolarHBondContact OE2-CB 3.26Å; E36-R91 PolarHBondContact OE2-N 3.45Å; R91-L94 PolarHBondContact O-N 3.44Å; R91-C95 WeakPolarHBondContact O-CA 3.39Å; R91-C95 WeakPolarHBondContact O-CB 3.06Å; R91-C95 PolarHBondContact O-N 3.05Å; R91-G96 PolarHBondContact NH1-O 3.22Å; R91-G96 PolarHBondContact O-N 3.41Å; R91-C101 HydrophobicContact CG-CB 3.77Å; R91-V122 HydrophobicContact CB-CG1 3.99Å; R91-V122 HydrophobicContact CG-CG1 4.19Å; R91-D124 IonicContact CZ-OD1 3.28Å; R91-D124 IonicContact NE-OD1 3.13Å; R91-D124 PolarHBondContact NE-OD1 2.82Å; R91-D124 IonicContact NH1-OD1 3.61Å; R91-D124 IonicContact NH2-OD1 2.57Å; R91-D124 PolarHBondContact NH2-OD1 3.04Å; R91-L159 PolarHBondContact NH2-O 2.84Å; R91-T161 PolarHBondContact NH1-OG1 3.48Å
92E88.9Confident85.7Confident25 Ų2550.1 Ų50.112%0.11728%0.278CS..Hα-helixtrans-67-43.1-179.3-64.960.9-127.100110.6E36 D90 G96 H128 L159E36-E92 VanDerWaalsContact OE2-OE2 3.08Å; D90-E92 WeakPolarHBondContact OD1-CA 2.99Å; D90-E92 PolarHBondContact OD1-N 2.84Å; E92-G96 WeakPolarHBondContact O-CA 3.14Å; E92-G96 PolarHBondContact O-N 2.9Å; E92-H128 IonicContact OE2-CE1 3.82Å; E92-L159 HydrophobicContact CG-CB 3.86Å
93E86.8Confident85.8Confident135 Ų13550 Ų5063%0.63128%0.277SS*.Hα-helixtrans-65.5-45.1171.9-169-166.9138.200110.7R71 D90R71-E93 IonicContact NH1-OE1 4Å; R71-E93 PolarHBondContact NH1-OE1 3.48Å; D90-E93 HydrophobicContact CB-CB 4.42Å; D90-E93 PolarHBondContact OD1-N 3.21Å
94L85.4Confident85.8Confident52 Ų5253.9 Ų53.927%0.27230%0.303SS..Hα-helixtrans-77-35.9-171-70.6173.3000114.1L89 D90 R91 L103L89-L94 HydrophobicContact CB-CD1 4.23Å; L89-L94 HydrophobicContact CD2-CD1 4.09Å; D90-L94 WeakPolarHBondContact O-CB 3.48Å; D90-L94 VanDerWaalsContact O-CD1 3.27Å; D90-L94 WeakPolarHBondContact O-CD1 3.47Å; D90-L94 WeakPolarHBondContact O-CG 3.17Å; D90-L94 PolarHBondContact O-N 2.96Å; R91-L94 PolarHBondContact O-N 3.44Å; L94-L103 HydrophobicContact CD1-CD1 4.12Å
95C84.7Confident85.8Confident26 Ų2653 Ų5318%0.17630%0.298CS..Hα-helixtrans-130.5-15.8-169.7-74.10000113.9R91 S97 T98 C101R91-C95 WeakPolarHBondContact O-CA 3.39Å; R91-C95 WeakPolarHBondContact O-CB 3.06Å; R91-C95 PolarHBondContact O-N 3.05Å; C95-S97 PolarHBondContact O-N 3.06Å; C95-T98 WeakPolarHBondContact O-CB 3.34Å; C95-T98 PolarHBondContact O-N 2.79Å; C95-T98 PolarHBondContact O-OG1 2.04Å; C95-C101 HydrophobicContact CB-CB 3.61Å; C95-C101 WeakPolarHBondContact CB-SG 3.41Å; C95-C101 WeakPolarHBondContact SG-CA 3.5Å; C95-C101 WeakPolarHBondContact SG-CB 3.48Å; C95-C101 CovalentContact SG-SG 2.04Å; C95-C101 PolarHBondContact SG-SG 3.07Å
96G83.4Confident85.6Confident30 Ų3056.7 Ų56.731%0.30932%0.315SS..THydrogen-bonded Turntrans53.7-133.8-173.200000111.5R91 E92 T98R91-G96 PolarHBondContact NH1-O 3.22Å; R91-G96 PolarHBondContact O-N 3.41Å; E92-G96 WeakPolarHBondContact O-CA 3.14Å; E92-G96 PolarHBondContact O-N 2.9Å; G96-T98 PolarHBondContact O-N 3.4Å; G96-T98 VanDerWaalsContact O-N 3.12Å
97S76.1Confident85.5Confident107 Ų10754 Ų5475%0.74830%0.301SS*.THydrogen-bonded Turntrans-80.121.4176.772.50000114.5C95C95-S97 PolarHBondContact O-N 3.06Å
98T80.3Confident85.3Confident90 Ų9052.4 Ų52.455%0.55229%0.294SS*.  trans-95112.3-175-45.40000111.3C95 G96C95-T98 WeakPolarHBondContact O-CB 3.34Å; C95-T98 PolarHBondContact O-N 2.79Å; C95-T98 PolarHBondContact O-OG1 2.04Å; G96-T98 PolarHBondContact O-N 3.4Å; G96-T98 VanDerWaalsContact O-N 3.12Å
99E77.1Confident85.1Confident113 Ų11347.7 Ų47.753%0.52827%0.274SS..SBendtrans-117.6136.2179.6-161.3-174.2166.900111.7G162E99-G162 WeakPolarHBondContact OE2-CA 3.46Å; E99-G162 PolarHBondContact OE2-N 3.25Å
100P83.3Confident84.8Confident73 Ų7350.4 Ų50.447%0.47429%0.286SS..SBendcis-75.5139.8-4.932-35000112.6V102P100-V102 HydrophobicContact CB-CG2 4.02Å; P100-V102 HydrophobicContact CG-CG2 4.02Å; P100-V102 PolarHBondContact O-N 3.27Å
101C88.1Confident84.2Confident4 Ų452.8 Ų52.83%0.02730%0.299CS..  trans-71.9111.1170.8-174.40000110R91 C95 R121 V122R91-C101 HydrophobicContact CG-CB 3.77Å; C95-C101 HydrophobicContact CB-CB 3.61Å; C95-C101 WeakPolarHBondContact CB-SG 3.41Å; C95-C101 WeakPolarHBondContact SG-CA 3.5Å; C95-C101 WeakPolarHBondContact SG-CB 3.48Å; C95-C101 CovalentContact SG-SG 2.04Å; C95-C101 PolarHBondContact SG-SG 3.07Å; C101-R121 WeakPolarHBondContact O-CA 3.2Å; C101-V122 HydrophobicContact CB-CB 4.32Å; C101-V122 PolarHBondContact O-N 3.41Å
102V87.8Confident83.5Confident54 Ų5457 Ų5733%0.32733%0.327SS..EExtended strand (participates in β ladder)trans-132.2116.3-174.5-178.30000110.2P100 P104 R121P100-V102 HydrophobicContact CB-CG2 4.02Å; P100-V102 HydrophobicContact CG-CG2 4.02Å; P100-V102 PolarHBondContact O-N 3.27Å; V102-P104 VanDerWaalsContact O-CD 3.31Å; V102-P104 WeakPolarHBondContact O-CD 3.39Å; V102-R121 HydrophobicContact CG2-CB 4.45Å; V102-R121 HydrophobicContact CG2-CG 4.38Å
103L86.9Confident83Confident21 Ų2161 Ų6111%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-98.4105.1177.9-54.3175.6000109.3F67 L89 L94 L120 V122F67-L103 HydrophobicContact CE1-CB 4.1Å; L89-L103 HydrophobicContact CD1-CD1 4.44Å; L94-L103 HydrophobicContact CD1-CD1 4.12Å; L103-L120 HydrophobicContact CB-CB 4.37Å; L103-L120 HydrophobicContact CD1-CD2 4.46Å; L103-L120 PolarHBondContact N-O 2.76Å; L103-L120 PolarHBondContact O-N 3.38Å; L103-V122 HydrophobicContact CD1-CG2 3.82Å; L103-V122 HydrophobicContact CG-CG2 4.27Å
104P86.7Confident82.8Confident82 Ų8258.3 Ų58.353%0.53234%0.336SS..EExtended strand (participates in β ladder)trans-75.4136178.930.4-34.5000111.3V102V102-P104 VanDerWaalsContact O-CD 3.31Å; V102-P104 WeakPolarHBondContact O-CD 3.39Å
105F87.8Confident82.6Confident6 Ų661.8 Ų61.83%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-141.4166.6176.973.6-89.7000112.3Y32 I65 V66 F67 L74 L83 V107 A118 L120Y32-F105 HydrophobicContact CD2-CE1 4.09Å; Y32-F105 AromaticContact CD2-CZ 3.69Å; Y32-F105 HydrophobicContact CD2-CZ 3.69Å; Y32-F105 AromaticContact CE2-CZ 3.88Å; Y32-F105 HydrophobicContact CE2-CZ 3.88Å; I65-F105 HydrophobicContact CG2-CD2 3.79Å; I65-F105 HydrophobicContact CG2-CE2 4.27Å; V66-F105 WeakPolarHBondContact O-CA 3.18Å; F67-F105 HydrophobicContact CD1-CB 3.67Å; F67-F105 HydrophobicContact CD2-CB 4.06Å; F67-F105 HydrophobicContact CE1-CB 3.57Å; F67-F105 AromaticContact CE1-CD1 3.98Å; F67-F105 HydrophobicContact CE1-CD1 3.98Å; F67-F105 HydrophobicContact CE1-CG 4.06Å; F67-F105 HydrophobicContact CE2-CB 3.96Å; F67-F105 HydrophobicContact CE2-CG 4.23Å; F67-F105 HydrophobicContact CG-CB 3.91Å; F67-F105 HydrophobicContact CZ-CB 3.71Å; F67-F105 AromaticContact CZ-CD1 3.84Å; F67-F105 HydrophobicContact CZ-CD1 3.84Å; F67-F105 AromaticContact CZ-CG 3.84Å; F67-F105 HydrophobicContact CZ-CG 3.84Å; L74-F105 HydrophobicContact CD1-CD1 4.29Å; L74-F105 HydrophobicContact CD1-CE1 3.76Å; L74-F105 HydrophobicContact CD1-CE2 4.28Å; L74-F105 HydrophobicContact CD1-CZ 3.74Å; L83-F105 HydrophobicContact CD2-CZ 4.04Å; F105-V107 HydrophobicContact CD2-CG2 4.25Å; F105-V107 HydrophobicContact CE2-CG2 3.78Å; F105-A118 HydrophobicContact CD1-CB 4.19Å; F105-A118 HydrophobicContact CD2-CB 4.1Å; F105-A118 HydrophobicContact CE1-CB 3.73Å; F105-A118 HydrophobicContact CE2-CB 3.67Å; F105-A118 HydrophobicContact CG-CB 4.36Å; F105-A118 HydrophobicContact CZ-CB 3.47Å; F105-A118 VanDerWaalsContact CZ-CB 3.47Å; F105-A118 PolarHBondContact N-O 3.29Å; F105-A118 PolarHBondContact O-N 3.06Å; F105-L120 HydrophobicContact CD1-CB 4.26Å; F105-L120 HydrophobicContact CE1-CB 4.05Å
106Q85.7Confident82.6Confident80 Ų8063.5 Ų63.537%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-124.6137.8178.4-65.9-177.1-8.200110.6V66 F116V66-Q106 PolarHBondContact N-O 3.41Å; V66-Q106 PolarHBondContact O-N 3.49Å; Q106-F116 WeakPolarHBondContact CA-O 3.13Å
107V84.1Confident82.7Confident1 Ų167.8 Ų67.81%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-99.1116.3168.6-175.10000107.8L47 L51 R64 F105 F115 F116L47-V107 HydrophobicContact CD1-CG2 4.37Å; L47-V107 HydrophobicContact CD2-CG2 3.94Å; L51-V107 HydrophobicContact CD1-CG1 4.36Å; R64-V107 WeakPolarHBondContact O-CA 3.42Å; F105-V107 HydrophobicContact CD2-CG2 4.25Å; F105-V107 HydrophobicContact CE2-CG2 3.78Å; V107-F115 WeakPolarHBondContact O-CA 3.05Å; V107-F116 HydrophobicContact CB-CB 4.38Å; V107-F116 PolarHBondContact N-O 3.29Å; V107-F116 PolarHBondContact O-N 3.21Å
108L84Confident83.1Confident34 Ų3463.1 Ų63.118%0.17833%0.333CS..EExtended strand (participates in β ladder)trans-97.6128.7178.6174.168.4000109.5A63 R64 L113 F115A63-L108 CarbonylContact C-O 3.57Å; A63-L108 WeakPolarHBondContact CA-O 3.05Å; R64-L108 PolarHBondContact N-O 2.92Å; R64-L108 PolarHBondContact O-N 3.25Å; L108-L113 HydrophobicContact CD1-CD2 4.29Å; L108-L113 HydrophobicContact CD1-CG 4.2Å; L108-F115 HydrophobicContact CD1-CD1 3.81Å; L108-F115 HydrophobicContact CD1-CE1 3.57Å; L108-F115 HydrophobicContact CD1-CZ 4.15Å
109L82.9Confident83.4Confident0 Ų059.6 Ų59.60%031%0.313CS..EExtended strand (participates in β ladder)trans-109.6139.3163.1-54.1-179.8000107.7L53 L58 R61 A63 L113 Q114 F116L53-L109 HydrophobicContact CD1-CD1 4.03Å; L58-L109 HydrophobicContact CD2-CD2 3.73Å; R61-L109 HydrophobicContact CB-CB 4.38Å; A63-L109 HydrophobicContact CB-CD2 3.61Å; L109-L113 CarbonylContact O-C 3.58Å; L109-L113 VanDerWaalsContact O-CA 3.24Å; L109-L113 WeakPolarHBondContact O-CA 3.48Å; L109-Q114 HydrophobicContact CB-CB 4.39Å; L109-Q114 PolarHBondContact N-O 2.99Å; L109-Q114 PolarHBondContact O-N 2.88Å; L109-F116 HydrophobicContact CD1-CE2 3.86Å; L109-F116 HydrophobicContact CG-CE2 4.47Å
110E81.5Confident83.9Confident61 Ų6154.2 Ų54.229%0.28529%0.287SS..THydrogen-bonded Turntrans-91.7-37-173.2-66.6178.7178.600113.2R61 R64 P112 L113R61-E110 PolarHBondContact O-N 2.86Å; R64-E110 IonicContact CZ-OE1 2.94Å; R64-E110 IonicContact NE-OE1 3.85Å; R64-E110 PolarHBondContact NE-OE1 2.7Å; R64-E110 IonicContact NH2-OE1 2.64Å; R64-E110 PolarHBondContact NH2-OE1 2.82Å; R64-E110 IonicContact NH2-OE2 3.05Å; E110-P112 CarbonylContact O-C 3.37Å; E110-L113 WeakPolarHBondContact O-CA 3.44Å; E110-L113 PolarHBondContact O-N 3.15Å; E110-L113 VanDerWaalsContact O-N 3.14Å
111N76.5Confident84.2Confident111 Ų11155 Ų5559%0.59428%0.281SS*.THydrogen-bonded Turntrans-129.6105.6-169.7-68.9-56000112.9R61R61-N111 WeakPolarHBondContact CD-O 2.9Å; R61-N111 WeakPolarHBondContact CG-O 3.18Å; R61-N111 PolarHBondContact NE-O 2.87Å
112P76.1Confident84.2Confident91 Ų9155 Ų5559%0.59128%0.281SS*.THydrogen-bonded Turncis-63.3159-21.231.6-36.8000110.9R61 E110 Q114R61-P112 PolarHBondContact NH2-O 2.89Å; E110-P112 CarbonylContact O-C 3.37Å; P112-Q114 PolarHBondContact O-N 3.21Å
113L79.1Confident84.2Confident109 Ų10958.8 Ų58.857%0.57129%0.289SS*.THydrogen-bonded Turntrans-72.2119.1-171.9-155.5129.1000111.2L108 L109 E110 F115L108-L113 HydrophobicContact CD1-CD2 4.29Å; L108-L113 HydrophobicContact CD1-CG 4.2Å; L109-L113 CarbonylContact O-C 3.58Å; L109-L113 VanDerWaalsContact O-CA 3.24Å; L109-L113 WeakPolarHBondContact O-CA 3.48Å; E110-L113 WeakPolarHBondContact O-CA 3.44Å; E110-L113 PolarHBondContact O-N 3.15Å; E110-L113 VanDerWaalsContact O-N 3.14Å; L113-F115 HydrophobicContact CD2-CD2 4.39Å; L113-F115 HydrophobicContact CD2-CE1 4.39Å; L113-F115 HydrophobicContact CD2-CE2 3.44Å; L113-F115 VanDerWaalsContact CD2-CE2 3.44Å; L113-F115 HydrophobicContact CD2-CZ 3.44Å; L113-F115 VanDerWaalsContact CD2-CZ 3.44Å
114Q81.9Confident84.3Confident80 Ų8059.1 Ų59.137%0.37429%0.291SS..EExtended strand (participates in β ladder)trans-141.3147.4-177.4-76.4-178.5-28.700110.7L109 P112 F116L109-Q114 HydrophobicContact CB-CB 4.39Å; L109-Q114 PolarHBondContact N-O 2.99Å; L109-Q114 PolarHBondContact O-N 2.88Å; P112-Q114 PolarHBondContact O-N 3.21Å; Q114-F116 HydrophobicContact CB-CE2 4.4Å
115F81.9Confident84.4Confident125 Ų12558 Ų5855%0.54828%0.28SS..EExtended strand (participates in β ladder)trans-123.7131.7178-52.4-95.2000109.4V107 L108 L113V107-F115 WeakPolarHBondContact O-CA 3.05Å; L108-F115 HydrophobicContact CD1-CD1 3.81Å; L108-F115 HydrophobicContact CD1-CE1 3.57Å; L108-F115 HydrophobicContact CD1-CZ 4.15Å; L113-F115 HydrophobicContact CD2-CD2 4.39Å; L113-F115 HydrophobicContact CD2-CE1 4.39Å; L113-F115 HydrophobicContact CD2-CE2 3.44Å; L113-F115 VanDerWaalsContact CD2-CE2 3.44Å; L113-F115 HydrophobicContact CD2-CZ 3.44Å; L113-F115 VanDerWaalsContact CD2-CZ 3.44Å
116F83.3Confident84.4Confident61 Ų6158.8 Ų58.827%0.26828%0.284SS..EExtended strand (participates in β ladder)trans-113.1128.1168.1-62.9-86.6000109.3L51 Q106 V107 L109 Q114L51-F116 HydrophobicContact CD1-CD2 4.07Å; L51-F116 HydrophobicContact CD1-CE2 4.3Å; L51-F116 HydrophobicContact CD2-CB 3.89Å; L51-F116 HydrophobicContact CD2-CD1 3.52Å; L51-F116 HydrophobicContact CD2-CD2 3.75Å; L51-F116 HydrophobicContact CD2-CE1 3.91Å; L51-F116 HydrophobicContact CD2-CE2 4.12Å; L51-F116 HydrophobicContact CD2-CG 3.43Å; L51-F116 VanDerWaalsContact CD2-CG 3.43Å; L51-F116 HydrophobicContact CD2-CZ 4.19Å; Q106-F116 WeakPolarHBondContact CA-O 3.13Å; V107-F116 HydrophobicContact CB-CB 4.38Å; V107-F116 PolarHBondContact N-O 3.29Å; V107-F116 PolarHBondContact O-N 3.21Å; L109-F116 HydrophobicContact CD1-CE2 3.86Å; L109-F116 HydrophobicContact CG-CE2 4.47Å; Q114-F116 HydrophobicContact CB-CE2 4.4Å
117Q84.9Confident84.5Confident121 Ų12157.2 Ų57.257%0.56528%0.278SS*.EExtended strand (participates in β ladder)trans-84.4124173.9-66.3-173.10.200109.3I30I30-Q117 PolarHBondContact N-O 3.18Å
118A85Confident84.7Confident8 Ų859.9 Ų59.97%0.06629%0.291CS..EExtended strand (participates in β ladder)trans-129.5163.117700000110.3I30 Y32 F105I30-A118 HydrophobicContact CB-CB 4.42Å; I30-A118 CarbonylContact O-C 3.49Å; I30-A118 WeakPolarHBondContact O-CA 3.14Å; I30-A118 WeakPolarHBondContact O-CB 3.44Å; Y32-A118 HydrophobicContact CD2-CB 4.44Å; Y32-A118 HydrophobicContact CE2-CB 4.14Å; F105-A118 HydrophobicContact CD1-CB 4.19Å; F105-A118 HydrophobicContact CD2-CB 4.1Å; F105-A118 HydrophobicContact CE1-CB 3.73Å; F105-A118 HydrophobicContact CE2-CB 3.67Å; F105-A118 HydrophobicContact CG-CB 4.36Å; F105-A118 HydrophobicContact CZ-CB 3.47Å; F105-A118 VanDerWaalsContact CZ-CB 3.47Å; F105-A118 PolarHBondContact N-O 3.29Å; F105-A118 PolarHBondContact O-N 3.06Å
119S87.6Confident85Confident17 Ų1759.9 Ų59.912%0.11930%0.296CS..EExtended strand (participates in β ladder)trans-135.9134.417563.50000110.3I30 Y32I30-S119 PolarHBondContact O-N 2.89Å; Y32-S119 PolarHBondContact N-O 2.93Å
120L87.8Confident85.5Confident0 Ų060.1 Ų60.10%030%0.297CS..EExtended strand (participates in β ladder)trans-96.9108.3171.2-176.767.8000107.7V34 V44 L74 L89 L103 F105 V122V34-L120 HydrophobicContact CB-CD1 4.18Å; V34-L120 HydrophobicContact CG1-CD1 3.9Å; V34-L120 HydrophobicContact CG1-CD2 4.14Å; V34-L120 HydrophobicContact CG1-CG 4.17Å; V44-L120 HydrophobicContact CG1-CD1 4.07Å; L74-L120 HydrophobicContact CD1-CB 4.5Å; L74-L120 HydrophobicContact CD1-CD1 4.4Å; L74-L120 HydrophobicContact CD1-CD2 4.11Å; L74-L120 HydrophobicContact CD2-CD2 3.99Å; L74-L120 HydrophobicContact CG-CD2 4.1Å; L89-L120 HydrophobicContact CD1-CD2 3.73Å; L103-L120 HydrophobicContact CB-CB 4.37Å; L103-L120 HydrophobicContact CD1-CD2 4.46Å; L103-L120 PolarHBondContact N-O 2.76Å; L103-L120 PolarHBondContact O-N 3.38Å; F105-L120 HydrophobicContact CD1-CB 4.26Å; F105-L120 HydrophobicContact CE1-CB 4.05Å; L120-V122 PolarHBondContact O-N 3.29Å
121R89Confident86.1Confident90 Ų9064.1 Ų64.134%0.3432%0.316SS..EExtended strand (participates in β ladder)trans-82.6109.8169.7-178.3176178.9174.40.8108.6Q31 Y32 S33 V34 C101 V102Q31-R121 HydrophobicContact CG-CB 4.49Å; Y32-R121 PolarHBondContact O-N 3.12Å; S33-R121 WeakPolarHBondContact CA-O 3.21Å; S33-R121 WeakPolarHBondContact CB-O 3.37Å; V34-R121 PolarHBondContact N-O 3.5Å; C101-R121 WeakPolarHBondContact O-CA 3.2Å; V102-R121 HydrophobicContact CG2-CB 4.45Å; V102-R121 HydrophobicContact CG2-CG 4.38Å
122V88.7Confident86.8Confident4 Ų459.5 Ų59.52%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-75.8128.8169.4-174.20000107.1E36 L89 R91 C101 L103 L120E36-V122 HydrophobicContact CB-CG1 3.7Å; L89-V122 HydrophobicContact CD1-CG2 3.98Å; R91-V122 HydrophobicContact CB-CG1 3.99Å; R91-V122 HydrophobicContact CG-CG1 4.19Å; C101-V122 HydrophobicContact CB-CB 4.32Å; C101-V122 PolarHBondContact O-N 3.41Å; L103-V122 HydrophobicContact CD1-CG2 3.82Å; L103-V122 HydrophobicContact CG-CG2 4.27Å; L120-V122 PolarHBondContact O-N 3.29Å
123R87.3Confident87.5Confident132 Ų13259.1 Ų59.150%0.49829%0.288SS..EExtended strand (participates in β ladder)trans-104.6133.5177.4-68.3-172.6-166.9-161.37109.8S33 V34 L35 E36S33-R123 PolarHBondContact OG-NE 3.27Å; S33-R123 PolarHBondContact OG-NH2 3.19Å; V34-R123 PolarHBondContact O-N 2.89Å; L35-R123 HydrophobicContact CD2-CB 3.91Å; E36-R123 PolarHBondContact N-O 3.24Å
124D88.4Confident88Confident29 Ų2955.2 Ų55.216%0.15527%0.272CS..  trans-60134.9-179.4-167.9113.8000112.8E36 R91 T161 N164E36-D124 WeakPolarHBondContact OE1-CA 3.24Å; R91-D124 IonicContact CZ-OD1 3.28Å; R91-D124 IonicContact NE-OD1 3.13Å; R91-D124 PolarHBondContact NE-OD1 2.82Å; R91-D124 IonicContact NH1-OD1 3.61Å; R91-D124 IonicContact NH2-OD1 2.57Å; R91-D124 PolarHBondContact NH2-OD1 3.04Å; D124-T161 WeakPolarHBondContact OD1-CA 3.26Å; D124-T161 WeakPolarHBondContact OD1-CB 3.29Å; D124-T161 PolarHBondContact OD1-N 3.05Å; D124-T161 PolarHBondContact OD1-OG1 3.21Å; D124-N164 PolarHBondContact O-ND2 3.33Å; D124-N164 VanDerWaalsContact OD2-CB 3.24Å; D124-N164 WeakPolarHBondContact OD2-CB 3.28Å; D124-N164 PolarHBondContact OD2-ND2 2.84Å
125I88.6Confident88.4Confident57 Ų5762 Ų6229%0.29229%0.294SS..  trans-112.9149.4168.1-68.2-176.1000108.6L35 E36 E37 D127L35-I125 HydrophobicContact CB-CD1 3.94Å; L35-I125 HydrophobicContact CB-CG1 4.19Å; L35-I125 HydrophobicContact CD1-CD1 4.45Å; E36-I125 HydrophobicContact CG-CB 3.93Å; E36-I125 HydrophobicContact CG-CD1 4.3Å; E36-I125 HydrophobicContact CG-CG1 3.96Å; E36-I125 WeakPolarHBondContact O-CD1 3.22Å; E36-I125 PolarHBondContact OE1-N 2.85Å; E37-I125 HydrophobicContact CB-CD1 4.45Å; I125-D127 HydrophobicContact CG2-CB 4.12Å; I125-D127 PolarHBondContact O-N 3.43Å
126N88.8Confident88.9Confident23 Ų2361.7 Ų61.712%0.12329%0.294CS..SBendtrans-76.162.5174.7-160.461.8000112.3D160 N164 D215 P219 R221N126-D160 VanDerWaalsContact CA-OD2 3.26Å; N126-D160 WeakPolarHBondContact CA-OD2 3.16Å; N126-D160 PolarHBondContact OD1-OD2 3.33Å; N126-N164 HydrophobicContact CB-CB 4.03Å; N126-N164 PolarHBondContact N-ND2 2.83Å; N126-N164 WeakPolarHBondContact OD1-CB 3.29Å; N126-N164 PolarHBondContact OD1-O 2.96Å; N126-D215 PolarHBondContact ND2-OD2 3.04Å; N126-D215 PolarHBondContact OD1-OD2 3.42Å; N126-P219 PolarHBondContact ND2-O 3.1Å; N126-R221 WeakPolarHBondContact ND2-CD 3.16Å; N126-R221 PolarHBondContact O-NH1 3.01Å
127D87.4Confident89.3Confident47 Ų4759.4 Ų59.425%0.25129%0.285SS..  trans-101.8-11.8-172.690.9-37.9000114.1I125 D160 R221I125-D127 HydrophobicContact CG2-CB 4.12Å; I125-D127 PolarHBondContact O-N 3.43Å; D127-D160 PolarHBondContact N-OD2 3.19Å; D127-D160 VanDerWaalsContact N-OD2 3.17Å; D127-R221 VanDerWaalsContact CA-NH1 3.32Å; D127-R221 PolarHBondContact O-NH1 2.83Å
128H89.1Confident89.7Confident57 Ų5759.1 Ų59.126%0.26429%0.286SS..SBendtrans-97-178.5160.3-61.476.4000111.3E92 L159 D160 R221E92-H128 IonicContact OE2-CE1 3.82Å; H128-L159 HydrophobicContact CB-CB 4.26Å; H128-D160 VanDerWaalsContact CB-OD1 3.22Å; H128-D160 WeakPolarHBondContact CB-OD1 3.42Å; H128-D160 IonicContact CG-OD1 2.68Å; H128-D160 PolarHBondContact N-OD1 3.18Å; H128-D160 PolarHBondContact N-OD2 2.74Å; H128-D160 IonicContact ND1-OD1 3.29Å; H128-D160 PolarHBondContact ND1-OD1 3.07Å; H128-D160 VanDerWaalsContact ND1-OD1 3.15Å; H128-R221 VanDerWaalsContact O-CD 3.29Å; H128-R221 WeakPolarHBondContact O-CD 3.24Å; H128-R221 VanDerWaalsContact O-CZ 3.23Å; H128-R221 PolarHBondContact O-NE 3.02Å; H128-R221 PolarHBondContact O-NH1 2.92Å
129A90.1Very high90.2Very high35 Ų3560.2 Ų60.229%0.28929%0.291SS..  trans-147.5150.5175.600000108.6E131 R221A129-E131 PolarHBondContact O-N 3.5Å; A129-R221 HydrophobicContact CB-CB 3.87Å
130P93.1Very high90.5Very high4 Ų465.4 Ų65.43%0.02631%0.311CS..  trans-54.9125.9177.2-2632.1000112.1A156 H157 D158 L166 A213 D215 G223P130-A156 HydrophobicContact CB-CB 4.1Å; P130-H157 CarbonylContact C-O 3.56Å; P130-H157 WeakPolarHBondContact CA-O 3.5Å; P130-D158 WeakPolarHBondContact CG-OD2 3.43Å; P130-L166 HydrophobicContact CB-CD1 4.31Å; P130-L166 HydrophobicContact CG-CD1 4.31Å; P130-A213 HydrophobicContact CB-CB 3.6Å; P130-A213 HydrophobicContact CG-CB 4.35Å; P130-D215 HydrophobicContact CG-CB 3.93Å; P130-G223 WeakPolarHBondContact O-CA 3.49Å; P130-G223 PolarHBondContact O-N 3.12Å
131E92.8Very high90.8Very high146 Ų14665.5 Ų65.568%0.68231%0.312SS*.BIsolated β-bridgetrans-119.4136.1175.9-173.5173.3-160.500111.3A129 A156 H157A129-E131 PolarHBondContact O-N 3.5Å; E131-A156 CarbonylContact O-C 3.53Å; E131-A156 VanDerWaalsContact O-CA 3.29Å; E131-A156 WeakPolarHBondContact O-CA 3.45Å; E131-H157 PolarHBondContact N-O 3.11Å; E131-H157 PolarHBondContact O-N 3.17Å
132F93Very high91.1Very high14 Ų1462.7 Ų62.76%0.06131%0.306CS..  trans-88.5135.9174-74.9-77.8000111.6A134 M137 A156 Y169 L211 A213F132-A134 PolarHBondContact O-N 3.33Å; F132-M137 HydrophobicContact CD1-CE 3.77Å; F132-M137 HydrophobicContact CE1-CE 4.17Å; F132-M137 HydrophobicContact CG-CE 4.44Å; F132-A156 HydrophobicContact CD1-CB 3.91Å; F132-A156 HydrophobicContact CD2-CB 4.38Å; F132-A156 HydrophobicContact CE1-CB 3.76Å; F132-A156 HydrophobicContact CE2-CB 4.26Å; F132-A156 HydrophobicContact CG-CB 4.22Å; F132-A156 HydrophobicContact CZ-CB 3.95Å; F132-Y169 HydrophobicContact CE1-CD1 4.43Å; F132-Y169 AromaticContact CE1-CE1 3.89Å; F132-Y169 HydrophobicContact CE1-CE1 3.89Å; F132-Y169 HydrophobicContact CZ-CD1 4.04Å; F132-Y169 AromaticContact CZ-CE1 3.84Å; F132-Y169 HydrophobicContact CZ-CE1 3.84Å; F132-L211 HydrophobicContact CD1-CD2 4.37Å; F132-L211 HydrophobicContact CE1-CD2 3.44Å; F132-L211 VanDerWaalsContact CE1-CD2 3.44Å; F132-L211 HydrophobicContact CE1-CG 4.16Å; F132-L211 HydrophobicContact CE2-CD2 4.44Å; F132-L211 HydrophobicContact CE2-CG 4.41Å; F132-L211 HydrophobicContact CZ-CD2 3.49Å; F132-L211 VanDerWaalsContact CZ-CD2 3.49Å; F132-L211 HydrophobicContact CZ-CG 3.66Å; F132-A213 HydrophobicContact CE2-CB 3.76Å; F132-A213 HydrophobicContact CZ-CB 3.69Å
133P89.7Confident91.3Very high83 Ų8362.9 Ų62.954%0.53931%0.307SS..SBendtrans-59.8-13177.3-26.134000116M155P133-M155 VanDerWaalsContact CD-O 3.26Å; P133-M155 WeakPolarHBondContact CD-O 3.26Å
134A89.8Confident91.6Very high27 Ų2762.4 Ų62.422%0.22331%0.313CS..  trans-147.2140.6175.700000108.7F132 E136 S225F132-A134 PolarHBondContact O-N 3.33Å; A134-E136 VanDerWaalsContact C-N 3.31Å; A134-S225 PolarHBondContact O-OG 2.87Å
135R89.4Confident91.8Very high221 Ų22162.4 Ų62.483%0.83431%0.314SS*.SBendtrans-67.5-34.6175.9-65.1-177.5179.5-176.3-1.7111.9S225 E226R135-S225 CarbonylContact O-C 3.58Å; R135-S225 VanDerWaalsContact O-CA 3.25Å; R135-S225 WeakPolarHBondContact O-CA 3.48Å; R135-S225 WeakPolarHBondContact O-CB 3.09Å; R135-S225 PolarHBondContact O-OG 3.33Å; R135-E226 PolarHBondContact O-N 2.69Å
136E93Very high92.1Very high120 Ų12067.1 Ų67.156%0.56134%0.337SS*.EExtended strand (participates in β ladder)trans-123.1147.1-177.4-66173-130.900112.2A134 E226 H228A134-E136 VanDerWaalsContact C-N 3.31Å; E136-E226 CarbonylContact C-O 3.53Å; E136-E226 VanDerWaalsContact CA-O 3.28Å; E136-E226 WeakPolarHBondContact CA-O 3.14Å; E136-E226 HydrophobicContact CG-CB 4.48Å; E136-H228 IonicContact OE2-CE1 3.89Å; E136-H228 PolarHBondContact OE2-CE1 2.89Å; E136-H228 IonicContact OE2-ND1 3.57Å; E136-H228 PolarHBondContact OE2-ND1 3.34Å
137M91.9Very high92.3Very high13 Ų1369.5 Ų69.56%0.06435%0.353CS..EExtended strand (participates in β ladder)trans-129.6119.9173.3-50.4-163.9-154.500109.7F132 L153 K154 L211 S225 E226 I227 H228F132-M137 HydrophobicContact CD1-CE 3.77Å; F132-M137 HydrophobicContact CE1-CE 4.17Å; F132-M137 HydrophobicContact CG-CE 4.44Å; M137-L153 HydrophobicContact SD-CD2 4.38Å; M137-K154 HydrophobicContact CE-CB 3.87Å; M137-K154 HydrophobicContact SD-CB 3.84Å; M137-K154 HydrophobicContact SD-CD 4.32Å; M137-K154 HydrophobicContact SD-CG 4.08Å; M137-L211 HydrophobicContact CE-CD2 3.97Å; M137-S225 WeakPolarHBondContact CE-OG 3Å; M137-E226 PolarHBondContact N-O 3.12Å; M137-I227 CarbonylContact O-C 3.59Å; M137-I227 WeakPolarHBondContact O-CA 3.24Å; M137-H228 PolarHBondContact O-N 2.8Å
138L93.8Very high92.5Very high115 Ų11569.7 Ų69.760%0.60237%0.366SS*.EExtended strand (participates in β ladder)trans-91.3120.7174.5-17966.6000110.2H228L138-H228 CarbonylContact C-O 3.56Å; L138-H228 WeakPolarHBondContact CA-O 3.19Å; L138-H228 HydrophobicContact CD1-CB 4.16Å
139L94.1Very high92.7Very high31 Ų3172.4 Ų72.416%0.16238%0.377CS..EExtended strand (participates in β ladder)trans-108.6140.9167-63.7-178.1000109.6I141 F151 L153 L193 I227 H228 I229 Q230L139-I141 HydrophobicContact CB-CD1 4.35Å; L139-I141 HydrophobicContact CB-CG1 4.29Å; L139-I141 HydrophobicContact CD1-CD1 4.42Å; L139-F151 HydrophobicContact CD1-CB 4.49Å; L139-L153 HydrophobicContact CD1-CD2 4.06Å; L139-L193 HydrophobicContact CD1-CD2 3.79Å; L139-I227 HydrophobicContact CD1-CG2 3.77Å; L139-I227 HydrophobicContact CG-CG2 4.02Å; L139-H228 PolarHBondContact N-O 3.24Å; L139-I229 HydrophobicContact CB-CG1 4.39Å; L139-I229 WeakPolarHBondContact O-CA 3.47Å; L139-Q230 PolarHBondContact O-N 3.39Å
140K94.7Very high92.9Very high125 Ų12573.9 Ų73.954%0.54338%0.38SS..EExtended strand (participates in β ladder)trans-118.1116.1170.9-64.2-171.7173.8-1630107.8Q230 L232K140-Q230 WeakPolarHBondContact CA-O 3.33Å; K140-Q230 VanDerWaalsContact CE-OE1 3.24Å; K140-Q230 HydrophobicContact CG-CB 4.37Å; K140-L232 HydrophobicContact CB-CD1 3.97Å; K140-L232 HydrophobicContact CB-CD2 4.2Å; K140-L232 HydrophobicContact CB-CG 4.09Å; K140-L232 HydrophobicContact CD-CD2 4.35Å
141I95Very high93Very high3 Ų375.2 Ų75.22%0.01539%0.385CS..EExtended strand (participates in β ladder)trans-128.5124.3-171.7-55178.5000107.8L139 T145 F151 F177 L199 I229 Q230 V231 L232L139-I141 HydrophobicContact CB-CD1 4.35Å; L139-I141 HydrophobicContact CB-CG1 4.29Å; L139-I141 HydrophobicContact CD1-CD1 4.42Å; I141-T145 HydrophobicContact CG2-CG2 4.49Å; I141-F151 HydrophobicContact CB-CE1 4.49Å; I141-F151 HydrophobicContact CB-CZ 4.33Å; I141-F151 HydrophobicContact CD1-CD1 4.3Å; I141-F151 HydrophobicContact CD1-CD2 4.23Å; I141-F151 HydrophobicContact CD1-CE1 3.93Å; I141-F151 HydrophobicContact CD1-CE2 3.87Å; I141-F151 HydrophobicContact CD1-CG 4.44Å; I141-F151 HydrophobicContact CD1-CZ 3.69Å; I141-F151 HydrophobicContact CG1-CD1 4.36Å; I141-F151 HydrophobicContact CG1-CE1 3.77Å; I141-F151 HydrophobicContact CG1-CZ 3.86Å; I141-F151 HydrophobicContact CG2-CE1 4.12Å; I141-F151 HydrophobicContact CG2-CE2 4.43Å; I141-F151 HydrophobicContact CG2-CZ 3.58Å; I141-F177 HydrophobicContact CD1-CE1 3.95Å; I141-F177 HydrophobicContact CD1-CZ 3.86Å; I141-L199 HydrophobicContact CB-CD1 4.03Å; I141-L199 HydrophobicContact CG2-CD1 3.59Å; I141-I229 HydrophobicContact CB-CG2 4.47Å; I141-I229 HydrophobicContact CD1-CG2 3.82Å; I141-I229 HydrophobicContact CG1-CG2 4.19Å; I141-Q230 PolarHBondContact N-O 3.04Å; I141-V231 CarbonylContact O-C 3.5Å; I141-V231 VanDerWaalsContact O-CA 3.27Å; I141-V231 WeakPolarHBondContact O-CA 3.23Å; I141-L232 PolarHBondContact O-N 3.41Å
142S93.5Very high92.9Very high31 Ų3173.3 Ų73.322%0.21739%0.385CS..EExtended strand (participates in β ladder)trans-76.8143.1174.41770000110.7I144 T145 L232 I234S142-I144 PolarHBondContact O-N 2.96Å; S142-T145 WeakPolarHBondContact O-CB 3.47Å; S142-T145 PolarHBondContact O-N 2.82Å; S142-T145 PolarHBondContact O-OG1 2.81Å; S142-L232 WeakPolarHBondContact CA-O 3.13Å; S142-L232 PolarHBondContact OG-O 2.63Å; S142-I234 VanDerWaalsContact OG-CG2 3.23Å; S142-I234 WeakPolarHBondContact OG-CG2 3.14Å
143E93.7Very high92.9Very high8 Ų873.6 Ų73.64%0.03739%0.387CS..THydrogen-bonded Turntrans-66.1-33.2-172.963.7-141.5113.100114.9T145 L199 R201 V231 L232 D233 I234E143-T145 PolarHBondContact O-N 3.23Å; E143-L199 HydrophobicContact CB-CB 4.22Å; E143-R201 WeakPolarHBondContact OE2-CA 3.5Å; E143-R201 WeakPolarHBondContact OE2-CB 3.42Å; E143-R201 PolarHBondContact OE2-N 2.9Å; E143-V231 HydrophobicContact CB-CG1 3.89Å; E143-L232 PolarHBondContact N-O 3.45Å; E143-D233 WeakPolarHBondContact OE1-CA 3.32Å; E143-I234 HydrophobicContact CG-CD1 4.43Å; E143-I234 HydrophobicContact CG-CG1 3.85Å; E143-I234 PolarHBondContact OE1-N 2.75Å
144I93.2Very high92.9Very high121 Ų12175.1 Ų75.162%0.62139%0.386SS*.THydrogen-bonded Turntrans-64.32.8170.9-156169.9000113.9S142 M146 I234S142-I144 PolarHBondContact O-N 2.96Å; I144-M146 PolarHBondContact O-N 3.25Å; I144-M146 VanDerWaalsContact O-N 3.09Å; I144-I234 HydrophobicContact CB-CD1 3.89Å; I144-I234 HydrophobicContact CD1-CD1 3.99Å; I144-I234 HydrophobicContact CG1-CD1 4.34Å; I144-I234 HydrophobicContact CG2-CG2 4.24Å
145T94.2Very high93Very high29 Ų2976.1 Ų76.118%0.17839%0.386CS..  trans-63.8113.7172.5-600000110.1I141 S142 E143 K149 F151 L195I141-T145 HydrophobicContact CG2-CG2 4.49Å; S142-T145 WeakPolarHBondContact O-CB 3.47Å; S142-T145 PolarHBondContact O-N 2.82Å; S142-T145 PolarHBondContact O-OG1 2.81Å; E143-T145 PolarHBondContact O-N 3.23Å; T145-K149 HydrophobicContact CG2-CB 3.43Å; T145-K149 VanDerWaalsContact CG2-CB 3.43Å; T145-K149 HydrophobicContact CG2-CD 4.49Å; T145-K149 HydrophobicContact CG2-CG 3.55Å; T145-F151 HydrophobicContact CG2-CZ 4.05Å; T145-L195 HydrophobicContact CG2-CD2 3.89Å; T145-L195 WeakPolarHBondContact O-CD2 3.34Å
146M93.2Very high93.1Very high157 Ų15765.6 Ų65.677%0.77335%0.347SS*.  trans-60.5140.9178.5-67.5-179.1172.200112.6I144 K149I144-M146 PolarHBondContact O-N 3.25Å; I144-M146 VanDerWaalsContact O-N 3.09Å; M146-K149 WeakPolarHBondContact O-CB 3.08Å; M146-K149 PolarHBondContact O-N 3Å
147P94.4Very high92.9Very high72 Ų7264.9 Ų64.947%0.46834%0.343SS..THydrogen-bonded Turntrans-50.7148.4167.8-29.336.8000113.2K149 L195P147-K149 VanDerWaalsContact C-N 3.33Å; P147-L195 CarbonylContact C-O 3.58Å; P147-L195 WeakPolarHBondContact CA-O 3.39Å
148G91.3Very high92.8Very high51 Ų5165.7 Ų65.753%0.52635%0.348SS..THydrogen-bonded Turntrans85.8-3.9-169.500000114.2I150 L195G148-I150 PolarHBondContact O-N 3.12Å; G148-L195 PolarHBondContact N-O 2.9Å
149K93.9Very high92.5Very high115 Ų11565 Ų6550%0.534%0.344SS..  trans-65.7132.1173.1-174.467.3175.6-172.10110.8T145 M146 P147 F151 V194 L195T145-K149 HydrophobicContact CG2-CB 3.43Å; T145-K149 VanDerWaalsContact CG2-CB 3.43Å; T145-K149 HydrophobicContact CG2-CD 4.49Å; T145-K149 HydrophobicContact CG2-CG 3.55Å; M146-K149 WeakPolarHBondContact O-CB 3.08Å; M146-K149 PolarHBondContact O-N 3Å; P147-K149 VanDerWaalsContact C-N 3.33Å; K149-F151 HydrophobicContact CB-CE2 4.18Å; K149-F151 HydrophobicContact CB-CZ 4.34Å; K149-F151 HydrophobicContact CG-CE1 4.22Å; K149-F151 HydrophobicContact CG-CE2 3.86Å; K149-F151 HydrophobicContact CG-CZ 3.68Å; K149-V194 WeakPolarHBondContact O-CA 3.29Å; K149-L195 PolarHBondContact O-N 2.9Å
150I93.8Very high92.3Very high66 Ų6664 Ų6434%0.33834%0.338SS..EExtended strand (participates in β ladder)trans-103.3133.7179.4-51.4-179.3000110.1G148 E192 L193 V194G148-I150 PolarHBondContact O-N 3.12Å; I150-E192 HydrophobicContact CG2-CB 3.71Å; I150-E192 HydrophobicContact CG2-CG 3.82Å; I150-L193 CarbonylContact C-O 3.6Å; I150-L193 WeakPolarHBondContact CA-O 3.17Å; I150-V194 HydrophobicContact CG1-CG2 4.24Å
151F94Very high91.8Very high31 Ų3158.9 Ų58.914%0.13632%0.318CS..EExtended strand (participates in β ladder)trans-118.4117.9173.8-54.5-90.7000109.5L139 I141 T145 K149 L153 F177 L193 L195L139-F151 HydrophobicContact CD1-CB 4.49Å; I141-F151 HydrophobicContact CB-CE1 4.49Å; I141-F151 HydrophobicContact CB-CZ 4.33Å; I141-F151 HydrophobicContact CD1-CD1 4.3Å; I141-F151 HydrophobicContact CD1-CD2 4.23Å; I141-F151 HydrophobicContact CD1-CE1 3.93Å; I141-F151 HydrophobicContact CD1-CE2 3.87Å; I141-F151 HydrophobicContact CD1-CG 4.44Å; I141-F151 HydrophobicContact CD1-CZ 3.69Å; I141-F151 HydrophobicContact CG1-CD1 4.36Å; I141-F151 HydrophobicContact CG1-CE1 3.77Å; I141-F151 HydrophobicContact CG1-CZ 3.86Å; I141-F151 HydrophobicContact CG2-CE1 4.12Å; I141-F151 HydrophobicContact CG2-CE2 4.43Å; I141-F151 HydrophobicContact CG2-CZ 3.58Å; T145-F151 HydrophobicContact CG2-CZ 4.05Å; K149-F151 HydrophobicContact CB-CE2 4.18Å; K149-F151 HydrophobicContact CB-CZ 4.34Å; K149-F151 HydrophobicContact CG-CE1 4.22Å; K149-F151 HydrophobicContact CG-CE2 3.86Å; K149-F151 HydrophobicContact CG-CZ 3.68Å; F151-L153 PolarHBondContact O-N 2.59Å; F151-F177 HydrophobicContact CE2-CE1 4.4Å; F151-L193 HydrophobicContact CB-CB 4.31Å; F151-L193 PolarHBondContact N-O 3.45Å; F151-L193 PolarHBondContact O-N 2.75Å; F151-L195 HydrophobicContact CE2-CB 4.3Å
152P91.8Very high91.2Very high107 Ų10761 Ų6170%0.69534%0.341SS*.EExtended strand (participates in β ladder)trans-71129.1177.728.9-33.3000110.4
153L92.6Very high90.8Very high19 Ų1963.2 Ų63.210%0.09936%0.356CS..PPolyproline II helixtrans-100.8163176-67.9174000110.9M137 L139 F151 P191 L193 L211 I227M137-L153 HydrophobicContact SD-CD2 4.38Å; L139-L153 HydrophobicContact CD1-CD2 4.06Å; F151-L153 PolarHBondContact O-N 2.59Å; L153-P191 HydrophobicContact CB-CB 4.09Å; L153-P191 HydrophobicContact CB-CG 3.82Å; L153-P191 HydrophobicContact CD1-CB 4.17Å; L153-P191 PolarHBondContact N-O 3.26Å; L153-P191 VanDerWaalsContact N-O 3.1Å; L153-L193 HydrophobicContact CD1-CB 3.82Å; L153-L193 HydrophobicContact CD1-CD1 4.45Å; L153-L193 HydrophobicContact CD2-CB 4.47Å; L153-L193 HydrophobicContact CG-CB 4.04Å; L153-L211 HydrophobicContact CD1-CD1 4.15Å; L153-L211 HydrophobicContact CD1-CD2 4.12Å; L153-I227 HydrophobicContact CD1-CD1 3.61Å; L153-I227 HydrophobicContact CD2-CD1 3.85Å; L153-I227 HydrophobicContact CD2-CG1 4.39Å; L153-I227 HydrophobicContact CG-CD1 4.4Å
154K90.3Very high90.4Very high116 Ų11663.9 Ų63.950%0.50436%0.36SS..PPolyproline II helixtrans-71.6133.7171.3-61.7178.2-177.7173.70109M137 P191M137-K154 HydrophobicContact CE-CB 3.87Å; M137-K154 HydrophobicContact SD-CB 3.84Å; M137-K154 HydrophobicContact SD-CD 4.32Å; M137-K154 HydrophobicContact SD-CG 4.08Å; K154-P191 WeakPolarHBondContact O-CG 3.19Å
155M90.6Very high90.1Very high48 Ų4858.5 Ų58.524%0.23634%0.335CS..PPolyproline II helixtrans-72.9152.617466.5-179.4-68.100111.5P133 Y169 F190P133-M155 VanDerWaalsContact CD-O 3.26Å; P133-M155 WeakPolarHBondContact CD-O 3.26Å; M155-Y169 WeakPolarHBondContact CA-OH 3.46Å; M155-Y169 VanDerWaalsContact CB-OH 3.3Å; M155-Y169 WeakPolarHBondContact CB-OH 3.21Å; M155-F190 HydrophobicContact CB-CB 4.29Å
156A91.2Very high89.9Confident0 Ų058 Ų580%033%0.331CS..PPolyproline II helixtrans-76.1156.9161.100000109.8P130 E131 F132 Y169 A213P130-A156 HydrophobicContact CB-CB 4.1Å; E131-A156 CarbonylContact O-C 3.53Å; E131-A156 VanDerWaalsContact O-CA 3.29Å; E131-A156 WeakPolarHBondContact O-CA 3.45Å; F132-A156 HydrophobicContact CD1-CB 3.91Å; F132-A156 HydrophobicContact CD2-CB 4.38Å; F132-A156 HydrophobicContact CE1-CB 3.76Å; F132-A156 HydrophobicContact CE2-CB 4.26Å; F132-A156 HydrophobicContact CG-CB 4.22Å; F132-A156 HydrophobicContact CZ-CB 3.95Å; A156-Y169 HydrophobicContact CB-CE1 4.06Å; A156-Y169 PolarHBondContact N-OH 3.29Å; A156-A213 HydrophobicContact CB-CB 3.56Å
157H89.3Confident89.7Confident104 Ų10453.5 Ų53.548%0.48131%0.308SS..BIsolated β-bridgetrans-113.1141.6170.3-64.3-53.2000109.4P130 E131P130-H157 CarbonylContact C-O 3.56Å; P130-H157 WeakPolarHBondContact CA-O 3.5Å; E131-H157 PolarHBondContact N-O 3.11Å; E131-H157 PolarHBondContact O-N 3.17Å
158D90.5Very high89.6Confident31 Ų3152 Ų5217%0.16630%0.299CS..  trans-138.2140.1179.4-160.7-9.1000106.3P130 G165 L166P130-D158 WeakPolarHBondContact CG-OD2 3.43Å; D158-G165 WeakPolarHBondContact OD2-CA 3.47Å; D158-L166 HydrophobicContact CB-CB 3.96Å; D158-L166 PolarHBondContact OD2-N 3.3Å
159L88.1Confident89.7Confident100 Ų10050 Ų5052%0.52428%0.276SS..  trans-93.2-25.7-175-61.3-175.8000111.6R91 E92 H128R91-L159 PolarHBondContact NH2-O 2.84Å; E92-L159 HydrophobicContact CG-CB 3.86Å; H128-L159 HydrophobicContact CB-CB 4.26Å
160D88.5Confident89.7Confident9 Ų947.4 Ų47.45%0.04827%0.269CS..  trans-69153.3179.3-57.4-3.4000110.8N126 D127 H128 N164 G165N126-D160 VanDerWaalsContact CA-OD2 3.26Å; N126-D160 WeakPolarHBondContact CA-OD2 3.16Å; N126-D160 PolarHBondContact OD1-OD2 3.33Å; D127-D160 PolarHBondContact N-OD2 3.19Å; D127-D160 VanDerWaalsContact N-OD2 3.17Å; H128-D160 VanDerWaalsContact CB-OD1 3.22Å; H128-D160 WeakPolarHBondContact CB-OD1 3.42Å; H128-D160 IonicContact CG-OD1 2.68Å; H128-D160 PolarHBondContact N-OD1 3.18Å; H128-D160 PolarHBondContact N-OD2 2.74Å; H128-D160 IonicContact ND1-OD1 3.29Å; H128-D160 PolarHBondContact ND1-OD1 3.07Å; H128-D160 VanDerWaalsContact ND1-OD1 3.15Å; D160-N164 HydrophobicContact CB-CB 3.9Å; D160-G165 VanDerWaalsContact O-CA 3.24Å; D160-G165 WeakPolarHBondContact O-CA 3.25Å
161T84.5Confident89.7Confident18 Ų1845.7 Ų45.711%0.1126%0.261CS..  trans-117.1178.6-17258.80000113.4R91 D124 S163 N164 G165R91-T161 PolarHBondContact NH1-OG1 3.48Å; D124-T161 WeakPolarHBondContact OD1-CA 3.26Å; D124-T161 WeakPolarHBondContact OD1-CB 3.29Å; D124-T161 PolarHBondContact OD1-N 3.05Å; D124-T161 PolarHBondContact OD1-OG1 3.21Å; T161-S163 PolarHBondContact O-N 2.79Å; T161-S163 VanDerWaalsContact O-N 3.12Å; T161-N164 PolarHBondContact O-N 3.26Å; T161-G165 PolarHBondContact O-N 2.87Å
162G82.7Confident89.8Confident49 Ų4946 Ų4651%0.50527%0.267SS..THydrogen-bonded Turntrans54.6-114.7179.100000114.9E99 Q167E99-G162 WeakPolarHBondContact OE2-CA 3.46Å; E99-G162 PolarHBondContact OE2-N 3.25Å; G162-Q167 PolarHBondContact O-NE2 3.19Å
163S84.7Confident89.8Confident76 Ų7647.2 Ų47.253%0.53128%0.278SS..THydrogen-bonded Turntrans-84.3-27.4177.751.20000113.7T161 Q167 G216T161-S163 PolarHBondContact O-N 2.79Å; T161-S163 VanDerWaalsContact O-N 3.12Å; S163-Q167 PolarHBondContact O-NE2 3.48Å; S163-G216 CarbonylContact O-C 3.49Å; S163-G216 WeakPolarHBondContact O-CA 3.43Å; S163-G216 PolarHBondContact O-N 2.9Å
164N86.3Confident89.8Confident23 Ų2348 Ų4812%0.12328%0.282CS..THydrogen-bonded Turntrans-74.8-45.9-174.2-65.1-14.4000109.5D124 N126 D160 T161 D215 G216D124-N164 PolarHBondContact O-ND2 3.33Å; D124-N164 VanDerWaalsContact OD2-CB 3.24Å; D124-N164 WeakPolarHBondContact OD2-CB 3.28Å; D124-N164 PolarHBondContact OD2-ND2 2.84Å; N126-N164 HydrophobicContact CB-CB 4.03Å; N126-N164 PolarHBondContact N-ND2 2.83Å; N126-N164 WeakPolarHBondContact OD1-CB 3.29Å; N126-N164 PolarHBondContact OD1-O 2.96Å; D160-N164 HydrophobicContact CB-CB 3.9Å; T161-N164 PolarHBondContact O-N 3.26Å; N164-D215 WeakPolarHBondContact O-CB 3.41Å; N164-G216 PolarHBondContact O-N 2.82Å
165G86.6Confident89.9Confident8 Ų846.1 Ų46.18%0.08228%0.282CS..SBendtrans-56.5154175.300000115.6D158 D160 T161 Q167D158-G165 WeakPolarHBondContact OD2-CA 3.47Å; D160-G165 VanDerWaalsContact O-CA 3.24Å; D160-G165 WeakPolarHBondContact O-CA 3.25Å; T161-G165 PolarHBondContact O-N 2.87Å; G165-Q167 WeakPolarHBondContact O-CG 3.43Å; G165-Q167 PolarHBondContact O-N 3.18Å; G165-Q167 PolarHBondContact O-NE2 2.79Å
166L90.3Very high90Very high18 Ų1844.9 Ų44.99%0.09428%0.275CS..  trans-20.2111.2175.7178.970.8000116P130 D158 Y169 K189 A213P130-L166 HydrophobicContact CB-CD1 4.31Å; P130-L166 HydrophobicContact CG-CD1 4.31Å; D158-L166 HydrophobicContact CB-CB 3.96Å; D158-L166 PolarHBondContact OD2-N 3.3Å; L166-Y169 HydrophobicContact CD1-CE1 4.28Å; L166-Y169 HydrophobicContact CD1-CE2 4.39Å; L166-Y169 HydrophobicContact CD2-CE2 4.06Å; L166-Y169 WeakPolarHBondContact CD2-OH 3.46Å; L166-K189 HydrophobicContact CD2-CB 4.31Å; L166-K189 WeakPolarHBondContact O-CE 3.26Å; L166-A213 HydrophobicContact CD1-CB 3.8Å
167Q89.2Confident90.2Very high62 Ų6245.2 Ų45.229%0.2928%0.277SS..  trans-102.9-39.9-179.7-66.1-54.8-35.400115.3G162 S163 G165 K189 L214 G216G162-Q167 PolarHBondContact O-NE2 3.19Å; S163-Q167 PolarHBondContact O-NE2 3.48Å; G165-Q167 WeakPolarHBondContact O-CG 3.43Å; G165-Q167 PolarHBondContact O-N 3.18Å; G165-Q167 PolarHBondContact O-NE2 2.79Å; Q167-K189 WeakPolarHBondContact O-CD 3.4Å; Q167-K189 PolarHBondContact O-NZ 2.79Å; Q167-L214 PolarHBondContact N-O 3.26Å; Q167-G216 VanDerWaalsContact CG-CA 3.45Å
168S91Very high90.5Very high42 Ų4243.2 Ų43.229%0.29427%0.267SS..EExtended strand (participates in β ladder)trans-155.4162.3-174.364.70000113.4L214S168-L214 PolarHBondContact N-O 3.07Å; S168-L214 PolarHBondContact O-N 2.99Å
169Y93.8Very high90.7Very high8 Ų842.8 Ų42.83%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-113.8141.2168.2-62.4-87.7000110.3F132 M155 A156 L166 V179 T181 K189 P191 L211 T212 A213F132-Y169 HydrophobicContact CE1-CD1 4.43Å; F132-Y169 AromaticContact CE1-CE1 3.89Å; F132-Y169 HydrophobicContact CE1-CE1 3.89Å; F132-Y169 HydrophobicContact CZ-CD1 4.04Å; F132-Y169 AromaticContact CZ-CE1 3.84Å; F132-Y169 HydrophobicContact CZ-CE1 3.84Å; M155-Y169 WeakPolarHBondContact CA-OH 3.46Å; M155-Y169 VanDerWaalsContact CB-OH 3.3Å; M155-Y169 WeakPolarHBondContact CB-OH 3.21Å; A156-Y169 HydrophobicContact CB-CE1 4.06Å; A156-Y169 PolarHBondContact N-OH 3.29Å; L166-Y169 HydrophobicContact CD1-CE1 4.28Å; L166-Y169 HydrophobicContact CD1-CE2 4.39Å; L166-Y169 HydrophobicContact CD2-CE2 4.06Å; L166-Y169 WeakPolarHBondContact CD2-OH 3.46Å; Y169-V179 WeakPolarHBondContact O-CG1 3.3Å; Y169-T181 HydrophobicContact CD2-CG2 4.07Å; Y169-T181 PolarHBondContact N-OG1 3.34Å; Y169-K189 HydrophobicContact CE2-CB 4.41Å; Y169-K189 PolarHBondContact OH-O 3.24Å; Y169-P191 HydrophobicContact CD1-CB 3.96Å; Y169-P191 HydrophobicContact CD1-CG 3.83Å; Y169-P191 HydrophobicContact CD2-CB 3.87Å; Y169-P191 HydrophobicContact CD2-CG 4.13Å; Y169-P191 HydrophobicContact CE1-CB 4.32Å; Y169-P191 HydrophobicContact CE1-CG 3.7Å; Y169-P191 HydrophobicContact CE2-CB 4.26Å; Y169-P191 HydrophobicContact CE2-CG 4.04Å; Y169-P191 HydrophobicContact CG-CB 3.7Å; Y169-P191 HydrophobicContact CG-CG 4.02Å; Y169-L211 HydrophobicContact CD1-CD1 4.34Å; Y169-T212 WeakPolarHBondContact CA-O 3.44Å; Y169-A213 HydrophobicContact CD1-CB 3.96Å; Y169-A213 HydrophobicContact CE1-CB 3.81Å
170T93.6Very high90.9Very high60 Ų6040.9 Ų40.937%0.36826%0.256SS..EExtended strand (participates in β ladder)trans-128.7161.2169.756.70000109.4T212 L214T170-T212 PolarHBondContact N-O 2.74Å; T170-T212 PolarHBondContact O-N 3.36Å; T170-L214 HydrophobicContact CG2-CD1 3.94Å
171I95.2Very high91Very high31 Ų3142.8 Ų42.816%0.15927%0.268CS..EExtended strand (participates in β ladder)trans-127.4160172.357.6171.1000110.7F177 V179 L193 L209 T210 L211I171-F177 HydrophobicContact CD1-CB 4.18Å; I171-F177 WeakPolarHBondContact CD1-O 3.2Å; I171-V179 HydrophobicContact CB-CG1 4.42Å; I171-V179 HydrophobicContact CD1-CB 4.5Å; I171-V179 HydrophobicContact CG1-CB 4.34Å; I171-V179 HydrophobicContact CG1-CG1 4.16Å; I171-V179 HydrophobicContact CG2-CB 3.86Å; I171-V179 HydrophobicContact CG2-CG1 3.89Å; I171-L193 HydrophobicContact CD1-CD1 3.88Å; I171-L209 HydrophobicContact CD1-CD1 4.42Å; I171-T210 CarbonylContact C-O 3.46Å; I171-T210 VanDerWaalsContact CA-O 3.23Å; I171-T210 WeakPolarHBondContact CA-O 3.25Å; I171-L211 HydrophobicContact CG2-CB 4.37Å; I171-L211 HydrophobicContact CG2-CD1 3.62Å
172S94.3Very high91.2Very high37 Ų3747 Ų4726%0.25928%0.282SS..  trans-52.9139.2170.154.40000112.2N174 L209 T210S172-N174 PolarHBondContact O-N 3.21Å; S172-N174 PolarHBondContact O-ND2 2.95Å; S172-L209 WeakPolarHBondContact OG-CA 3.47Å; S172-T210 PolarHBondContact N-O 2.89Å; S172-T210 PolarHBondContact OG-N 2.82Å
173S92.4Very high91.3Very high133 Ų13349.9 Ų49.993%0.9329%0.286SS*.  trans-55.7123.9177.7-171.10000111.1
174N92.5Very high90.9Very high36 Ų3654.7 Ų54.719%0.19329%0.292CS..  trans-156.4160.9-179.179.493.7000109.3S172 H176 F177 L209S172-N174 PolarHBondContact O-N 3.21Å; S172-N174 PolarHBondContact O-ND2 2.95Å; N174-H176 PolarHBondContact OD1-N 3.19Å; N174-H176 VanDerWaalsContact OD1-N 3.1Å; N174-F177 PolarHBondContact ND2-O 3.05Å; N174-F177 PolarHBondContact OD1-N 2.94Å; N174-F177 PolarHBondContact OD1-O 3.05Å; N174-L209 HydrophobicContact CB-CD2 3.65Å
175P91.9Very high89.9Confident76 Ų7659.3 Ų59.349%0.49433%0.326SS..SBendtrans-93.4-9.2-174.833.2-31000115.6K197P175-K197 WeakPolarHBondContact O-CD 3.24Å; P175-K197 WeakPolarHBondContact O-CE 3.02Å; P175-K197 WeakPolarHBondContact O-CG 3.39Å
176H93.6Very high88.9Confident22 Ų2265.3 Ų65.310%0.10235%0.352CS..SBendtrans-106-21.4-173.1-58-91.4000114.3N174 L195 D196 P198 L199N174-H176 PolarHBondContact OD1-N 3.19Å; N174-H176 VanDerWaalsContact OD1-N 3.1Å; H176-L195 HydrophobicContact CB-CD1 4.4Å; H176-L195 CarbonylContact O-C 3.5Å; H176-L195 WeakPolarHBondContact O-CA 3.38Å; H176-D196 PolarHBondContact O-N 2.95Å; H176-P198 PolarHBondContact ND1-O 3.46Å; H176-L199 HydrophobicContact CB-CD2 3.92Å
177F95.5Very high87.9Confident6 Ų667.1 Ų67.13%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-136.8146.8-172.8-60.3-86.9000113.4I141 F151 I171 N174 L193 V194 L195 L199 L207 L209 I229I141-F177 HydrophobicContact CD1-CE1 3.95Å; I141-F177 HydrophobicContact CD1-CZ 3.86Å; F151-F177 HydrophobicContact CE2-CE1 4.4Å; I171-F177 HydrophobicContact CD1-CB 4.18Å; I171-F177 WeakPolarHBondContact CD1-O 3.2Å; N174-F177 PolarHBondContact ND2-O 3.05Å; N174-F177 PolarHBondContact OD1-N 2.94Å; N174-F177 PolarHBondContact OD1-O 3.05Å; F177-L193 HydrophobicContact CB-CD1 3.9Å; F177-L193 HydrophobicContact CB-CG 4.25Å; F177-L193 HydrophobicContact CD1-CD1 4.3Å; F177-L193 HydrophobicContact CD1-CD2 3.7Å; F177-L193 HydrophobicContact CD1-CG 3.72Å; F177-L193 HydrophobicContact CE1-CD2 3.95Å; F177-L193 HydrophobicContact CE1-CG 4.4Å; F177-L193 HydrophobicContact CG-CD1 4.32Å; F177-L193 HydrophobicContact CG-CD2 4.22Å; F177-L193 HydrophobicContact CG-CG 4.23Å; F177-V194 VanDerWaalsContact CA-O 3.25Å; F177-V194 WeakPolarHBondContact CA-O 3.5Å; F177-L195 HydrophobicContact CD1-CB 4.28Å; F177-L195 HydrophobicContact CD1-CD1 3.89Å; F177-L195 HydrophobicContact CE1-CB 4.1Å; F177-L195 HydrophobicContact CE1-CD1 3.36Å; F177-L195 HydrophobicContact CE1-CG 4.34Å; F177-L195 HydrophobicContact CE2-CD1 4.16Å; F177-L195 HydrophobicContact CZ-CD1 3.51Å; F177-L199 HydrophobicContact CE2-CD2 3.82Å; F177-L199 HydrophobicContact CZ-CD1 4.14Å; F177-L199 HydrophobicContact CZ-CD2 3.9Å; F177-L207 HydrophobicContact CE2-CD2 4.4Å; F177-L209 HydrophobicContact CB-CD1 4.11Å; F177-L209 HydrophobicContact CD2-CD1 3.87Å; F177-L209 HydrophobicContact CG-CD1 4.16Å; F177-I229 HydrophobicContact CD2-CD1 3.99Å; F177-I229 HydrophobicContact CE1-CD1 4.27Å; F177-I229 HydrophobicContact CE2-CD1 3.45Å; F177-I229 VanDerWaalsContact CE2-CD1 3.45Å; F177-I229 HydrophobicContact CZ-CD1 3.61Å
178H94.7Very high87.5Confident62 Ų6271.8 Ų71.829%0.28739%0.39SS..EExtended strand (participates in β ladder)trans-122.6167.9158.472.2-88.8000111L180 V194 D196H178-L180 WeakPolarHBondContact NE2-CD2 3.36Å; H178-L180 WeakPolarHBondContact NE2-CG 3.3Å; H178-V194 PolarHBondContact N-O 2.89Å; H178-V194 VanDerWaalsContact N-O 3.09Å; H178-V194 PolarHBondContact O-N 3.1Å; H178-D196 IonicContact CE1-OD1 3.5Å; H178-D196 PolarHBondContact CE1-OD1 2.79Å; H178-D196 IonicContact CE1-OD2 3.15Å; H178-D196 IonicContact CG-OD2 3.29Å; H178-D196 PolarHBondContact N-OD2 3.38Å; H178-D196 IonicContact ND1-OD1 3.14Å; H178-D196 PolarHBondContact ND1-OD1 2.76Å; H178-D196 IonicContact ND1-OD2 3.68Å; H178-D196 PolarHBondContact ND1-OD2 2.79Å
179V94.8Very high87.2Confident23 Ų2371.5 Ų71.514%0.13938%0.384CS..EExtended strand (participates in β ladder)trans-112.1134.4172.168.60000110.4Y169 I171 P191 E192 L211Y169-V179 WeakPolarHBondContact O-CG1 3.3Å; I171-V179 HydrophobicContact CB-CG1 4.42Å; I171-V179 HydrophobicContact CD1-CB 4.5Å; I171-V179 HydrophobicContact CG1-CB 4.34Å; I171-V179 HydrophobicContact CG1-CG1 4.16Å; I171-V179 HydrophobicContact CG2-CB 3.86Å; I171-V179 HydrophobicContact CG2-CG1 3.89Å; V179-P191 HydrophobicContact CG2-CB 3.75Å; V179-E192 CarbonylContact C-O 3.57Å; V179-E192 WeakPolarHBondContact CA-O 3.42Å; V179-L211 HydrophobicContact CG2-CD1 4.2Å
180L92.9Very high87Confident60 Ų6074.1 Ų74.131%0.31440%0.395SS..EExtended strand (participates in β ladder)trans-103131.3169.3-65.4-179.8000109.6H178 E192 V194H178-L180 WeakPolarHBondContact NE2-CD2 3.36Å; H178-L180 WeakPolarHBondContact NE2-CG 3.3Å; L180-E192 HydrophobicContact CB-CB 4.34Å; L180-E192 PolarHBondContact N-O 2.82Å; L180-E192 PolarHBondContact O-N 2.84Å; L180-V194 HydrophobicContact CD1-CG2 3.75Å; L180-V194 HydrophobicContact CG-CG2 3.9Å
181T91.2Very high87Confident48 Ų4871.2 Ų71.229%0.29438%0.378SS..EExtended strand (participates in β ladder)trans-86.9115.8168-60.10000108.7Y169 K189Y169-T181 HydrophobicContact CD2-CG2 4.07Å; Y169-T181 PolarHBondContact N-OG1 3.34Å; T181-K189 HydrophobicContact CG2-CB 3.93Å; T181-K189 HydrophobicContact CG2-CD 4.12Å
182R87.6Confident87Confident106 Ų10671.3 Ų71.340%0.438%0.377SS..EExtended strand (participates in β ladder)trans-101.6135.6174.7-68-62.4-169.1179.8-2111.1K189 F190 E192R182-K189 CarbonylContact O-C 3.54Å; R182-K189 VanDerWaalsContact O-CA 3.3Å; R182-K189 WeakPolarHBondContact O-CA 3.35Å; R182-F190 HydrophobicContact CB-CD1 3.98Å; R182-F190 HydrophobicContact CB-CD2 3.98Å; R182-F190 HydrophobicContact CB-CE1 3.52Å; R182-F190 HydrophobicContact CB-CE2 3.53Å; R182-F190 HydrophobicContact CB-CG 4.19Å; R182-F190 HydrophobicContact CB-CZ 3.29Å; R182-F190 HydrophobicContact CG-CE2 3.88Å; R182-F190 HydrophobicContact CG-CZ 3.94Å; R182-F190 PolarHBondContact N-O 2.83Å; R182-F190 VanDerWaalsContact O-CD1 3.29Å; R182-F190 WeakPolarHBondContact O-CD1 3.33Å; R182-F190 PolarHBondContact O-N 3.03Å; R182-E192 HydrophobicContact CG-CG 3.97Å; R182-E192 VanDerWaalsContact CG-OE2 3.26Å; R182-E192 WeakPolarHBondContact CG-OE2 3.39Å; R182-E192 IonicContact CZ-OE2 3.5Å; R182-E192 IonicContact NE-OE2 2.76Å; R182-E192 PolarHBondContact NE-OE2 3.01Å; R182-E192 IonicContact NH2-OE2 2.73Å; R182-E192 PolarHBondContact NH2-OE2 2.83Å
183N85.6Confident87Confident111 Ų11169.5 Ų69.559%0.59437%0.365SS*.EExtended strand (participates in β ladder)trans-100.1128.7174-59.4-15.6000109.4K189N183-K189 WeakPolarHBondContact OD1-CG 3.4Å
184R76.9Confident87.1Confident177 Ų17763.7 Ų63.767%0.66832%0.324SS*.PPolyproline II helixtrans-89.5166.5169.7-153.1171.6-177.7-174.4-0.4110.4E186 G187 R188 F190R184-E186 PolarHBondContact O-N 2.89Å; R184-G187 PolarHBondContact O-N 2.86Å; R184-R188 PolarHBondContact N-O 2.84Å; R184-F190 HydrophobicContact CB-CE1 4.29Å
185S63.7Low87.3Confident119 Ų11962 Ų6283%0.83231%0.314SS*.THydrogen-bonded Turntrans-57.8-5.9-178.849.30000116.5
186E65.4Low87.3Confident135 Ų13562.1 Ų62.163%0.63131%0.311SS*.THydrogen-bonded Turntrans-111.717.5179.6-63.5171.6-176.100112.1R184 R188R184-E186 PolarHBondContact O-N 2.89Å; E186-R188 PolarHBondContact O-N 2.83Å; E186-R188 IonicContact OE2-NE 3.95Å
187G70.3Confident87.3Confident56 Ų5666.4 Ų66.458%0.57733%0.33SS*.SBendtrans76.4-15.7-178.500000115.2R184 K189R184-G187 PolarHBondContact O-N 2.86Å; G187-K189 PolarHBondContact O-N 2.88Å
188R79.6Confident87.2Confident159 Ų15970 Ų7060%0.635%0.353SS*.  trans-60.5131.2176.8-63.2-176.8-178.9-168.40.3111.9R184 E186R184-R188 PolarHBondContact N-O 2.84Å; E186-R188 PolarHBondContact O-N 2.83Å; E186-R188 IonicContact OE2-NE 3.95Å
189K86.7Confident87.1Confident37 Ų3767.6 Ų67.616%0.16134%0.343CS..EExtended strand (participates in β ladder)trans-107.4131-179.2-46.9-164.5-167.6-1730111.2L166 Q167 Y169 T181 R182 N183 G187L166-K189 HydrophobicContact CD2-CB 4.31Å; L166-K189 WeakPolarHBondContact O-CE 3.26Å; Q167-K189 WeakPolarHBondContact O-CD 3.4Å; Q167-K189 PolarHBondContact O-NZ 2.79Å; Y169-K189 HydrophobicContact CE2-CB 4.41Å; Y169-K189 PolarHBondContact OH-O 3.24Å; T181-K189 HydrophobicContact CG2-CB 3.93Å; T181-K189 HydrophobicContact CG2-CD 4.12Å; R182-K189 CarbonylContact O-C 3.54Å; R182-K189 VanDerWaalsContact O-CA 3.3Å; R182-K189 WeakPolarHBondContact O-CA 3.35Å; N183-K189 WeakPolarHBondContact OD1-CG 3.4Å; G187-K189 PolarHBondContact O-N 2.88Å
190F89.4Confident87.1Confident62 Ų6269.8 Ų69.827%0.27235%0.354SS..EExtended strand (participates in β ladder)trans-128.4148.8179.361.8-84.6000112.3M155 R182 R184 E192M155-F190 HydrophobicContact CB-CB 4.29Å; R182-F190 HydrophobicContact CB-CD1 3.98Å; R182-F190 HydrophobicContact CB-CD2 3.98Å; R182-F190 HydrophobicContact CB-CE1 3.52Å; R182-F190 HydrophobicContact CB-CE2 3.53Å; R182-F190 HydrophobicContact CB-CG 4.19Å; R182-F190 HydrophobicContact CB-CZ 3.29Å; R182-F190 HydrophobicContact CG-CE2 3.88Å; R182-F190 HydrophobicContact CG-CZ 3.94Å; R182-F190 PolarHBondContact N-O 2.83Å; R182-F190 VanDerWaalsContact O-CD1 3.29Å; R182-F190 WeakPolarHBondContact O-CD1 3.33Å; R182-F190 PolarHBondContact O-N 3.03Å; R184-F190 HydrophobicContact CB-CE1 4.29Å; F190-E192 HydrophobicContact CD2-CG 4.21Å; F190-E192 HydrophobicContact CE2-CG 3.95Å
191P93.6Very high87.1Confident0 Ų068.6 Ų68.60%035%0.345CS..EExtended strand (participates in β ladder)trans-86.7134.5177.224.2-14.9000112L153 K154 Y169 V179 L211L153-P191 HydrophobicContact CB-CB 4.09Å; L153-P191 HydrophobicContact CB-CG 3.82Å; L153-P191 HydrophobicContact CD1-CB 4.17Å; L153-P191 PolarHBondContact N-O 3.26Å; L153-P191 VanDerWaalsContact N-O 3.1Å; K154-P191 WeakPolarHBondContact O-CG 3.19Å; Y169-P191 HydrophobicContact CD1-CB 3.96Å; Y169-P191 HydrophobicContact CD1-CG 3.83Å; Y169-P191 HydrophobicContact CD2-CB 3.87Å; Y169-P191 HydrophobicContact CD2-CG 4.13Å; Y169-P191 HydrophobicContact CE1-CB 4.32Å; Y169-P191 HydrophobicContact CE1-CG 3.7Å; Y169-P191 HydrophobicContact CE2-CB 4.26Å; Y169-P191 HydrophobicContact CE2-CG 4.04Å; Y169-P191 HydrophobicContact CG-CB 3.7Å; Y169-P191 HydrophobicContact CG-CG 4.02Å; V179-P191 HydrophobicContact CG2-CB 3.75Å; P191-L211 HydrophobicContact CB-CD1 4.31Å; P191-L211 HydrophobicContact CG-CD2 4.3Å
192E93.9Very high87.2Confident32 Ų3269 Ų6915%0.1534%0.343CS..EExtended strand (participates in β ladder)trans-115.7118.7167.8-79.1-176.6169.800108.5I150 V179 L180 R182 F190I150-E192 HydrophobicContact CG2-CB 3.71Å; I150-E192 HydrophobicContact CG2-CG 3.82Å; V179-E192 CarbonylContact C-O 3.57Å; V179-E192 WeakPolarHBondContact CA-O 3.42Å; L180-E192 HydrophobicContact CB-CB 4.34Å; L180-E192 PolarHBondContact N-O 2.82Å; L180-E192 PolarHBondContact O-N 2.84Å; R182-E192 HydrophobicContact CG-CG 3.97Å; R182-E192 VanDerWaalsContact CG-OE2 3.26Å; R182-E192 WeakPolarHBondContact CG-OE2 3.39Å; R182-E192 IonicContact CZ-OE2 3.5Å; R182-E192 IonicContact NE-OE2 2.76Å; R182-E192 PolarHBondContact NE-OE2 3.01Å; R182-E192 IonicContact NH2-OE2 2.73Å; R182-E192 PolarHBondContact NH2-OE2 2.83Å; F190-E192 HydrophobicContact CD2-CG 4.21Å; F190-E192 HydrophobicContact CE2-CG 3.95Å
193L95.1Very high87.4Confident0 Ų070.9 Ų70.90%036%0.357CS..EExtended strand (participates in β ladder)trans-80.8131.3171.4-167.573.1000108.7L139 I150 F151 L153 I171 F177 L209 I229L139-L193 HydrophobicContact CD1-CD2 3.79Å; I150-L193 CarbonylContact C-O 3.6Å; I150-L193 WeakPolarHBondContact CA-O 3.17Å; F151-L193 HydrophobicContact CB-CB 4.31Å; F151-L193 PolarHBondContact N-O 3.45Å; F151-L193 PolarHBondContact O-N 2.75Å; L153-L193 HydrophobicContact CD1-CB 3.82Å; L153-L193 HydrophobicContact CD1-CD1 4.45Å; L153-L193 HydrophobicContact CD2-CB 4.47Å; L153-L193 HydrophobicContact CG-CB 4.04Å; I171-L193 HydrophobicContact CD1-CD1 3.88Å; F177-L193 HydrophobicContact CB-CD1 3.9Å; F177-L193 HydrophobicContact CB-CG 4.25Å; F177-L193 HydrophobicContact CD1-CD1 4.3Å; F177-L193 HydrophobicContact CD1-CD2 3.7Å; F177-L193 HydrophobicContact CD1-CG 3.72Å; F177-L193 HydrophobicContact CE1-CD2 3.95Å; F177-L193 HydrophobicContact CE1-CG 4.4Å; F177-L193 HydrophobicContact CG-CD1 4.32Å; F177-L193 HydrophobicContact CG-CD2 4.22Å; F177-L193 HydrophobicContact CG-CG 4.23Å; L193-L209 HydrophobicContact CD1-CD1 4.32Å; L193-I229 HydrophobicContact CD2-CD1 4.11Å
194V94.5Very high87.7Confident10 Ų1069.7 Ų69.76%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-121.3132.5-179.3-173.90000109.1K149 I150 F177 H178 L180K149-V194 WeakPolarHBondContact O-CA 3.29Å; I150-V194 HydrophobicContact CG1-CG2 4.24Å; F177-V194 VanDerWaalsContact CA-O 3.25Å; F177-V194 WeakPolarHBondContact CA-O 3.5Å; H178-V194 PolarHBondContact N-O 2.89Å; H178-V194 VanDerWaalsContact N-O 3.09Å; H178-V194 PolarHBondContact O-N 3.1Å; L180-V194 HydrophobicContact CD1-CG2 3.75Å; L180-V194 HydrophobicContact CG-CG2 3.9Å
195L95.8Very high88.5Confident0 Ų064.2 Ų64.20%034%0.335CS..EExtended strand (participates in β ladder)trans-82.2119.3175.4-174.373.3000110.1T145 P147 G148 K149 F151 H176 F177 K197 L199T145-L195 HydrophobicContact CG2-CD2 3.89Å; T145-L195 WeakPolarHBondContact O-CD2 3.34Å; P147-L195 CarbonylContact C-O 3.58Å; P147-L195 WeakPolarHBondContact CA-O 3.39Å; G148-L195 PolarHBondContact N-O 2.9Å; K149-L195 PolarHBondContact O-N 2.9Å; F151-L195 HydrophobicContact CE2-CB 4.3Å; H176-L195 HydrophobicContact CB-CD1 4.4Å; H176-L195 CarbonylContact O-C 3.5Å; H176-L195 WeakPolarHBondContact O-CA 3.38Å; F177-L195 HydrophobicContact CD1-CB 4.28Å; F177-L195 HydrophobicContact CD1-CD1 3.89Å; F177-L195 HydrophobicContact CE1-CB 4.1Å; F177-L195 HydrophobicContact CE1-CD1 3.36Å; F177-L195 HydrophobicContact CE1-CG 4.34Å; F177-L195 HydrophobicContact CE2-CD1 4.16Å; F177-L195 HydrophobicContact CZ-CD1 3.51Å; L195-K197 WeakPolarHBondContact CD1-O 3.34Å; L195-K197 WeakPolarHBondContact CG-O 3.23Å; L195-L199 HydrophobicContact CD1-CD1 4.22Å; L195-L199 HydrophobicContact CD1-CD2 3.87Å; L195-L199 HydrophobicContact CD1-CG 3.82Å
196D92.7Very high89.9Confident80 Ų8067.4 Ų67.443%0.42833%0.329SS..  trans-95.8-32.2-179.5-71.4-43.8000113.8H176 H178H176-D196 PolarHBondContact O-N 2.95Å; H178-D196 IonicContact CE1-OD1 3.5Å; H178-D196 PolarHBondContact CE1-OD1 2.79Å; H178-D196 IonicContact CE1-OD2 3.15Å; H178-D196 IonicContact CG-OD2 3.29Å; H178-D196 PolarHBondContact N-OD2 3.38Å; H178-D196 IonicContact ND1-OD1 3.14Å; H178-D196 PolarHBondContact ND1-OD1 2.76Å; H178-D196 IonicContact ND1-OD2 3.68Å; H178-D196 PolarHBondContact ND1-OD2 2.79Å
197K93.1Very high91.3Very high112 Ų11261.4 Ų61.449%0.48730%0.301SS..SBendtrans-126153.1178.4-64.9-168.9-171.2179.40109.4P175 L195P175-K197 WeakPolarHBondContact O-CD 3.24Å; P175-K197 WeakPolarHBondContact O-CE 3.02Å; P175-K197 WeakPolarHBondContact O-CG 3.39Å; L195-K197 WeakPolarHBondContact CD1-O 3.34Å; L195-K197 WeakPolarHBondContact CG-O 3.23Å
198P92.9Very high92.5Very high81 Ų8162.5 Ų62.553%0.52630%0.297SS..  trans-54157169.226.2-35.2000110.7H176H176-P198 PolarHBondContact ND1-O 3.46Å
199L94.1Very high93.2Very high12 Ų1255.1 Ų55.16%0.06327%0.269CS..  trans-97.2162.1166.2-56169.3000107.7I141 E143 H176 F177 L195 L207 V231I141-L199 HydrophobicContact CB-CD1 4.03Å; I141-L199 HydrophobicContact CG2-CD1 3.59Å; E143-L199 HydrophobicContact CB-CB 4.22Å; H176-L199 HydrophobicContact CB-CD2 3.92Å; F177-L199 HydrophobicContact CE2-CD2 3.82Å; F177-L199 HydrophobicContact CZ-CD1 4.14Å; F177-L199 HydrophobicContact CZ-CD2 3.9Å; L195-L199 HydrophobicContact CD1-CD1 4.22Å; L195-L199 HydrophobicContact CD1-CD2 3.87Å; L195-L199 HydrophobicContact CD1-CG 3.82Å; L199-L207 HydrophobicContact CD2-CD1 4.44Å; L199-V231 HydrophobicContact CB-CG1 4.28Å; L199-V231 HydrophobicContact CD1-CG2 4.37Å
200D93.3Very high93.6Very high69 Ų6955.9 Ų55.937%0.36928%0.277SS..  trans-146.4118178.3173.6-32000104.7E202 E203 Q204D200-E202 WeakPolarHBondContact OD1-CA 3.38Å; D200-E202 WeakPolarHBondContact OD1-CB 3.39Å; D200-E202 PolarHBondContact OD1-N 2.97Å; D200-E203 HydrophobicContact CB-CB 4.03Å; D200-E203 WeakPolarHBondContact OD1-CB 3.44Å; D200-E203 PolarHBondContact OD1-N 2.88Å; D200-Q204 PolarHBondContact O-N 2.98Å
201R93.9Very high93.9Very high35 Ų3553 Ų5313%0.13226%0.264CS..THydrogen-bonded Turntrans-80.1-26.5-175.5-168.5-145.35862.8-15.7111.2E143 P205 V231 D233 L268 D269E143-R201 WeakPolarHBondContact OE2-CA 3.5Å; E143-R201 WeakPolarHBondContact OE2-CB 3.42Å; E143-R201 PolarHBondContact OE2-N 2.9Å; R201-P205 HydrophobicContact CG-CB 3.89Å; R201-P205 WeakPolarHBondContact O-CD 3.34Å; R201-V231 HydrophobicContact CB-CB 4.24Å; R201-V231 HydrophobicContact CB-CG1 3.79Å; R201-V231 HydrophobicContact CG-CB 4.1Å; R201-V231 HydrophobicContact CG-CG1 4.15Å; R201-D233 WeakPolarHBondContact CD-OD1 3.16Å; R201-D233 IonicContact CZ-OD1 3.42Å; R201-D233 IonicContact NE-OD1 3.24Å; R201-D233 PolarHBondContact NE-OD1 3.3Å; R201-D233 IonicContact NH2-OD1 2.66Å; R201-D233 PolarHBondContact NH2-OD1 2.97Å; R201-L268 PolarHBondContact NH2-O 2.77Å; R201-D269 VanDerWaalsContact NH2-C 3.31Å
202E93.8Very high93.9Very high55 Ų5554.3 Ų54.326%0.25727%0.272SS..THydrogen-bonded Turntrans-69.7-39176.2-69.856.7-12000110.1D200 L268D200-E202 WeakPolarHBondContact OD1-CA 3.38Å; D200-E202 WeakPolarHBondContact OD1-CB 3.39Å; D200-E202 PolarHBondContact OD1-N 2.97Å; E202-L268 HydrophobicContact CG-CB 3.85Å
203E91.6Very high93.9Very high146 Ų14652.8 Ų52.868%0.68227%0.265SS*.THydrogen-bonded Turntrans-72.5-55.4170.6-173.8177.2-152.100111.5D200D200-E203 HydrophobicContact CB-CB 4.03Å; D200-E203 WeakPolarHBondContact OD1-CB 3.44Å; D200-E203 PolarHBondContact OD1-N 2.88Å
204Q92.2Very high93.7Very high86 Ų8655.4 Ų55.440%0.40228%0.279SS..  trans-144.793.8-176.4-168.6168.73.300114.3D200 R206 L207 V231D200-Q204 PolarHBondContact O-N 2.98Å; Q204-R206 VanDerWaalsContact C-N 3.26Å; Q204-R206 WeakPolarHBondContact CG-O 3.33Å; Q204-R206 PolarHBondContact NE2-O 2.79Å; Q204-R206 PolarHBondContact O-N 3.05Å; Q204-R206 VanDerWaalsContact O-N 3.17Å; Q204-L207 HydrophobicContact CG-CD1 4.33Å; Q204-L207 HydrophobicContact CG-CG 4.11Å; Q204-V231 WeakPolarHBondContact O-CG2 3.26Å
205P92.8Very high93.6Very high63 Ų6355.4 Ų55.441%0.40928%0.279SS..SBendtrans-71.2-15.9-175.728.1-36.2000114.6R201 V231R201-P205 HydrophobicContact CG-CB 3.89Å; R201-P205 WeakPolarHBondContact O-CD 3.34Å; P205-V231 PolarHBondContact O-N 2.81Å
206R94.3Very high93.1Very high185 Ų18557 Ų5770%0.69830%0.295SS*.EExtended strand (participates in β ladder)trans-144.8131.6-178.5-63.7-175.2-175.21752.6111.4Q204 I229Q204-R206 VanDerWaalsContact C-N 3.26Å; Q204-R206 WeakPolarHBondContact CG-O 3.33Å; Q204-R206 PolarHBondContact NE2-O 2.79Å; Q204-R206 PolarHBondContact O-N 3.05Å; Q204-R206 VanDerWaalsContact O-N 3.17Å; R206-I229 WeakPolarHBondContact CA-O 3.26Å
207L93.7Very high92.8Very high9 Ų953.4 Ų53.45%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-121142.8172.6-56.788.8000109.3F177 L199 Q204 I229 V231F177-L207 HydrophobicContact CE2-CD2 4.4Å; L199-L207 HydrophobicContact CD2-CD1 4.44Å; Q204-L207 HydrophobicContact CG-CD1 4.33Å; Q204-L207 HydrophobicContact CG-CG 4.11Å; L207-I229 HydrophobicContact CB-CB 4.21Å; L207-I229 HydrophobicContact CD1-CG2 4.45Å; L207-I229 PolarHBondContact N-O 3.43Å; L207-I229 PolarHBondContact O-N 2.9Å; L207-V231 HydrophobicContact CD1-CG2 3.72Å
208T94.8Very high92.2Very high79 Ų7953.7 Ų53.749%0.48529%0.293SS..EExtended strand (participates in β ladder)trans-120.9122.4172-55.80000108.1I227 H228T208-I227 WeakPolarHBondContact CA-O 3.38Å; T208-H228 PolarHBondContact OG1-CD2 3.3Å
209L94.9Very high91.9Very high5 Ų554.8 Ų54.83%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-118.6137.3178.9-55176.9000110I171 S172 N174 F177 L193 E226 I227 I229I171-L209 HydrophobicContact CD1-CD1 4.42Å; S172-L209 WeakPolarHBondContact OG-CA 3.47Å; N174-L209 HydrophobicContact CB-CD2 3.65Å; F177-L209 HydrophobicContact CB-CD1 4.11Å; F177-L209 HydrophobicContact CD2-CD1 3.87Å; F177-L209 HydrophobicContact CG-CD1 4.16Å; L193-L209 HydrophobicContact CD1-CD1 4.32Å; L209-E226 CarbonylContact O-C 3.55Å; L209-I227 HydrophobicContact CB-CB 4.33Å; L209-I227 PolarHBondContact N-O 2.89Å; L209-I227 PolarHBondContact O-N 2.77Å; L209-I229 HydrophobicContact CD1-CD1 3.75Å; L209-I229 HydrophobicContact CG-CD1 4.32Å
210T94.9Very high91.7Very high53 Ų5358.6 Ų58.633%0.32533%0.326SS..EExtended strand (participates in β ladder)trans-91.6114.4172.5-46.20000109.1I171 S172 T224I171-T210 CarbonylContact C-O 3.46Å; I171-T210 VanDerWaalsContact CA-O 3.23Å; I171-T210 WeakPolarHBondContact CA-O 3.25Å; S172-T210 PolarHBondContact N-O 2.89Å; S172-T210 PolarHBondContact OG-N 2.82Å; T210-T224 HydrophobicContact CG2-CG2 4.13Å
211L95.3Very high91.6Very high0 Ų060 Ų600%033%0.326CS..EExtended strand (participates in β ladder)trans-85.4124.9170.2-179.970.4000109.4F132 M137 L153 Y169 I171 V179 P191 T224 S225 I227F132-L211 HydrophobicContact CD1-CD2 4.37Å; F132-L211 HydrophobicContact CE1-CD2 3.44Å; F132-L211 VanDerWaalsContact CE1-CD2 3.44Å; F132-L211 HydrophobicContact CE1-CG 4.16Å; F132-L211 HydrophobicContact CE2-CD2 4.44Å; F132-L211 HydrophobicContact CE2-CG 4.41Å; F132-L211 HydrophobicContact CZ-CD2 3.49Å; F132-L211 VanDerWaalsContact CZ-CD2 3.49Å; F132-L211 HydrophobicContact CZ-CG 3.66Å; M137-L211 HydrophobicContact CE-CD2 3.97Å; L153-L211 HydrophobicContact CD1-CD1 4.15Å; L153-L211 HydrophobicContact CD1-CD2 4.12Å; Y169-L211 HydrophobicContact CD1-CD1 4.34Å; I171-L211 HydrophobicContact CG2-CB 4.37Å; I171-L211 HydrophobicContact CG2-CD1 3.62Å; V179-L211 HydrophobicContact CG2-CD1 4.2Å; P191-L211 HydrophobicContact CB-CD1 4.31Å; P191-L211 HydrophobicContact CG-CD2 4.3Å; L211-T224 CarbonylContact O-C 3.59Å; L211-T224 VanDerWaalsContact O-CA 3.26Å; L211-T224 WeakPolarHBondContact O-CA 3.48Å; L211-S225 PolarHBondContact N-O 3.04Å; L211-S225 PolarHBondContact O-N 2.79Å; L211-I227 HydrophobicContact CB-CD1 3.96Å; L211-I227 HydrophobicContact CB-CG1 4.2Å
212T94.1Very high91.6Very high28 Ų2861.5 Ų61.517%0.17234%0.342CS..EExtended strand (participates in β ladder)trans-117.3120.3179.4-53.60000109.6Y169 T170 L214 G223 T224Y169-T212 WeakPolarHBondContact CA-O 3.44Å; T170-T212 PolarHBondContact N-O 2.74Å; T170-T212 PolarHBondContact O-N 3.36Å; T212-L214 HydrophobicContact CG2-CD2 4.05Å; T212-L214 HydrophobicContact CG2-CG 4.3Å; T212-G223 CarbonylContact C-O 3.19Å; T212-G223 WeakPolarHBondContact CA-O 3.46Å; T212-T224 HydrophobicContact CG2-CG2 4.18Å
213A93.5Very high91.5Very high0 Ų059.4 Ų59.40%034%0.335CS..EExtended strand (participates in β ladder)trans-87.3131.9167.700000108.9P130 F132 A156 L166 Y169 S222 G223P130-A213 HydrophobicContact CB-CB 3.6Å; P130-A213 HydrophobicContact CG-CB 4.35Å; F132-A213 HydrophobicContact CE2-CB 3.76Å; F132-A213 HydrophobicContact CZ-CB 3.69Å; A156-A213 HydrophobicContact CB-CB 3.56Å; L166-A213 HydrophobicContact CD1-CB 3.8Å; Y169-A213 HydrophobicContact CD1-CB 3.96Å; Y169-A213 HydrophobicContact CE1-CB 3.81Å; A213-S222 WeakPolarHBondContact O-CA 3.18Å; A213-S222 WeakPolarHBondContact O-CB 3.5Å; A213-G223 PolarHBondContact N-O 3.43Å; A213-G223 PolarHBondContact O-N 2.68Å; A213-G223 VanDerWaalsContact O-N 3.11Å
214L92.4Very high91.6Very high56 Ų5656.7 Ų56.729%0.29333%0.328SS..EExtended strand (participates in β ladder)trans-119.3129.7-179-66.8171.4000109.8Q167 S168 T170 T212Q167-L214 PolarHBondContact N-O 3.26Å; S168-L214 PolarHBondContact N-O 3.07Å; S168-L214 PolarHBondContact O-N 2.99Å; T170-L214 HydrophobicContact CG2-CD1 3.94Å; T212-L214 HydrophobicContact CG2-CD2 4.05Å; T212-L214 HydrophobicContact CG2-CG 4.3Å
215D91.3Very high91.8Very high9 Ų952.8 Ų52.85%0.04831%0.31CS..  trans-78.2-173.7171.585.317.2000110.8N126 P130 N164 G217 P220 R221N126-D215 PolarHBondContact ND2-OD2 3.04Å; N126-D215 PolarHBondContact OD1-OD2 3.42Å; P130-D215 HydrophobicContact CG-CB 3.93Å; N164-D215 WeakPolarHBondContact O-CB 3.41Å; D215-G217 PolarHBondContact OD1-N 3.17Å; D215-P220 WeakPolarHBondContact OD1-CA 3.42Å; D215-P220 WeakPolarHBondContact OD1-CB 3.34Å; D215-R221 PolarHBondContact N-O 3.19Å; D215-R221 PolarHBondContact OD1-N 3.29Å; D215-R221 WeakPolarHBondContact OD2-CA 2.97Å; D215-R221 WeakPolarHBondContact OD2-CB 3.27Å; D215-R221 PolarHBondContact OD2-N 3.09Å
216G86.4Confident91.9Very high33 Ų3353.8 Ų53.834%0.3431%0.31SS..  trans-120.316.317500000114.4S163 N164 Q167S163-G216 CarbonylContact O-C 3.49Å; S163-G216 WeakPolarHBondContact O-CA 3.43Å; S163-G216 PolarHBondContact O-N 2.9Å; N164-G216 PolarHBondContact O-N 2.82Å; Q167-G216 VanDerWaalsContact CG-CA 3.45Å
217G85.1Confident91.9Very high5 Ų545 Ų455%0.05228%0.276CS..  trans-70.1179.7-178.900000113.9D215 P219D215-G217 PolarHBondContact OD1-N 3.17Å; G217-P219 CarbonylContact C-O 3.49Å; G217-P219 CarbonylContact O-C 3.45Å
218S82.1Confident92Very high119 Ų11947.1 Ų47.183%0.83229%0.286SS*.SBendtrans-14398.1176.8-74.80000109.9
219P86.2Confident92Very high104 Ų10443.5 Ų43.568%0.67526%0.264SS*.SBendcis-69.4149.74.830.9-36.5000113.1N126 G217N126-P219 PolarHBondContact ND2-O 3.1Å; G217-P219 CarbonylContact C-O 3.49Å; G217-P219 CarbonylContact O-C 3.45Å
220P88.8Confident92Very high92 Ų9246.3 Ų46.360%0.59728%0.277SS*.  trans-74.6145.4174.432-35.1000110.8D215D215-P220 WeakPolarHBondContact OD1-CA 3.42Å; D215-P220 WeakPolarHBondContact OD1-CB 3.34Å
221R92Very high92Very high99 Ų9944.1 Ų44.137%0.37426%0.263SS..  trans-118.8167.4175.7-46.6168.471.7178.6-1.4109.5N126 D127 H128 A129 D215N126-R221 WeakPolarHBondContact ND2-CD 3.16Å; N126-R221 PolarHBondContact O-NH1 3.01Å; D127-R221 VanDerWaalsContact CA-NH1 3.32Å; D127-R221 PolarHBondContact O-NH1 2.83Å; H128-R221 VanDerWaalsContact O-CD 3.29Å; H128-R221 WeakPolarHBondContact O-CD 3.24Å; H128-R221 VanDerWaalsContact O-CZ 3.23Å; H128-R221 PolarHBondContact O-NE 3.02Å; H128-R221 PolarHBondContact O-NH1 2.92Å; A129-R221 HydrophobicContact CB-CB 3.87Å; D215-R221 PolarHBondContact N-O 3.19Å; D215-R221 PolarHBondContact OD1-N 3.29Å; D215-R221 WeakPolarHBondContact OD2-CA 2.97Å; D215-R221 WeakPolarHBondContact OD2-CB 3.27Å; D215-R221 PolarHBondContact OD2-N 3.09Å
222S92.9Very high91.9Very high66 Ų6647.3 Ų47.346%0.46228%0.28SS..EExtended strand (participates in β ladder)trans-154.7143.4-167.766.30000112.7A213A213-S222 WeakPolarHBondContact O-CA 3.18Å; A213-S222 WeakPolarHBondContact O-CB 3.5Å
223G92.9Very high91.9Very high11 Ų1147.8 Ų47.811%0.11328%0.281CS..EExtended strand (participates in β ladder)trans-111.3153.6165.700000111.8P130 T212 A213P130-G223 WeakPolarHBondContact O-CA 3.49Å; P130-G223 PolarHBondContact O-N 3.12Å; T212-G223 CarbonylContact C-O 3.19Å; T212-G223 WeakPolarHBondContact CA-O 3.46Å; A213-G223 PolarHBondContact N-O 3.43Å; A213-G223 PolarHBondContact O-N 2.68Å; A213-G223 VanDerWaalsContact O-N 3.11Å
224T94.3Very high91.9Very high89 Ų8949.4 Ų49.455%0.54629%0.29SS..EExtended strand (participates in β ladder)trans-125.5150.4178.854.20000112.5T210 L211 T212T210-T224 HydrophobicContact CG2-CG2 4.13Å; L211-T224 CarbonylContact O-C 3.59Å; L211-T224 VanDerWaalsContact O-CA 3.26Å; L211-T224 WeakPolarHBondContact O-CA 3.48Å; T212-T224 HydrophobicContact CG2-CG2 4.18Å
225S94.5Very high91.9Very high3 Ų348.2 Ų48.22%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-144.6143.9169.91750000109.6A134 R135 M137 L211A134-S225 PolarHBondContact O-OG 2.87Å; R135-S225 CarbonylContact O-C 3.58Å; R135-S225 VanDerWaalsContact O-CA 3.25Å; R135-S225 WeakPolarHBondContact O-CA 3.48Å; R135-S225 WeakPolarHBondContact O-CB 3.09Å; R135-S225 PolarHBondContact O-OG 3.33Å; M137-S225 WeakPolarHBondContact CE-OG 3Å; L211-S225 PolarHBondContact N-O 3.04Å; L211-S225 PolarHBondContact O-N 2.79Å
226E95.6Very high91.9Very high85 Ų8552 Ų5240%0.39730%0.304SS..EExtended strand (participates in β ladder)trans-90.4132.2176.6-64.8-175154.500111.1R135 E136 M137 L209 H228R135-E226 PolarHBondContact O-N 2.69Å; E136-E226 CarbonylContact C-O 3.53Å; E136-E226 VanDerWaalsContact CA-O 3.28Å; E136-E226 WeakPolarHBondContact CA-O 3.14Å; E136-E226 HydrophobicContact CG-CB 4.48Å; M137-E226 PolarHBondContact N-O 3.12Å; L209-E226 CarbonylContact O-C 3.55Å; E226-H228 IonicContact OE2-CE1 3.55Å
227I95Very high92.2Very high0 Ų052.6 Ų52.60%030%0.299CS..EExtended strand (participates in β ladder)trans-102.7108.2172-52.3171.6000107.2M137 L139 L153 T208 L209 L211 I229M137-I227 CarbonylContact O-C 3.59Å; M137-I227 WeakPolarHBondContact O-CA 3.24Å; L139-I227 HydrophobicContact CD1-CG2 3.77Å; L139-I227 HydrophobicContact CG-CG2 4.02Å; L153-I227 HydrophobicContact CD1-CD1 3.61Å; L153-I227 HydrophobicContact CD2-CD1 3.85Å; L153-I227 HydrophobicContact CD2-CG1 4.39Å; L153-I227 HydrophobicContact CG-CD1 4.4Å; T208-I227 WeakPolarHBondContact CA-O 3.38Å; L209-I227 HydrophobicContact CB-CB 4.33Å; L209-I227 PolarHBondContact N-O 2.89Å; L209-I227 PolarHBondContact O-N 2.77Å; L211-I227 HydrophobicContact CB-CD1 3.96Å; L211-I227 HydrophobicContact CB-CG1 4.2Å; I227-I229 HydrophobicContact CG2-CD1 4.41Å; I227-I229 HydrophobicContact CG2-CG1 3.87Å
228H95.2Very high92.6Very high53 Ų5356.9 Ų56.925%0.24532%0.32CS..EExtended strand (participates in β ladder)trans-86.2111.2170.6-73120.8000108.8E136 M137 L138 L139 T208 E226E136-H228 IonicContact OE2-CE1 3.89Å; E136-H228 PolarHBondContact OE2-CE1 2.89Å; E136-H228 IonicContact OE2-ND1 3.57Å; E136-H228 PolarHBondContact OE2-ND1 3.34Å; M137-H228 PolarHBondContact O-N 2.8Å; L138-H228 CarbonylContact C-O 3.56Å; L138-H228 WeakPolarHBondContact CA-O 3.19Å; L138-H228 HydrophobicContact CD1-CB 4.16Å; L139-H228 PolarHBondContact N-O 3.24Å; T208-H228 PolarHBondContact OG1-CD2 3.3Å; E226-H228 IonicContact OE2-CE1 3.55Å
229I95.4Very high93.3Very high3 Ų351.3 Ų51.32%0.01528%0.281CS..EExtended strand (participates in β ladder)trans-100.7114.8176-55.3-179.6000107.9L139 I141 F177 L193 R206 L207 L209 I227L139-I229 HydrophobicContact CB-CG1 4.39Å; L139-I229 WeakPolarHBondContact O-CA 3.47Å; I141-I229 HydrophobicContact CB-CG2 4.47Å; I141-I229 HydrophobicContact CD1-CG2 3.82Å; I141-I229 HydrophobicContact CG1-CG2 4.19Å; F177-I229 HydrophobicContact CD2-CD1 3.99Å; F177-I229 HydrophobicContact CE1-CD1 4.27Å; F177-I229 HydrophobicContact CE2-CD1 3.45Å; F177-I229 VanDerWaalsContact CE2-CD1 3.45Å; F177-I229 HydrophobicContact CZ-CD1 3.61Å; L193-I229 HydrophobicContact CD2-CD1 4.11Å; R206-I229 WeakPolarHBondContact CA-O 3.26Å; L207-I229 HydrophobicContact CB-CB 4.21Å; L207-I229 HydrophobicContact CD1-CG2 4.45Å; L207-I229 PolarHBondContact N-O 3.43Å; L207-I229 PolarHBondContact O-N 2.9Å; L209-I229 HydrophobicContact CD1-CD1 3.75Å; L209-I229 HydrophobicContact CG-CD1 4.32Å; I227-I229 HydrophobicContact CG2-CD1 4.41Å; I227-I229 HydrophobicContact CG2-CG1 3.87Å
230Q95Very high93.7Very high65 Ų6553.5 Ų53.530%0.30428%0.282SS..EExtended strand (participates in β ladder)trans-93.7118.1166.4178.8177.910.900108.2L139 K140 I141 L232L139-Q230 PolarHBondContact O-N 3.39Å; K140-Q230 WeakPolarHBondContact CA-O 3.33Å; K140-Q230 VanDerWaalsContact CE-OE1 3.24Å; K140-Q230 HydrophobicContact CG-CB 4.37Å; I141-Q230 PolarHBondContact N-O 3.04Å; Q230-L232 HydrophobicContact CG-CD2 4.45Å
231V94.8Very high94Very high6 Ų650 Ų504%0.03626%0.258CS..EExtended strand (participates in β ladder)trans-73.4134.9171-169.60000108.2I141 E143 L199 R201 Q204 P205 L207I141-V231 CarbonylContact O-C 3.5Å; I141-V231 VanDerWaalsContact O-CA 3.27Å; I141-V231 WeakPolarHBondContact O-CA 3.23Å; E143-V231 HydrophobicContact CB-CG1 3.89Å; L199-V231 HydrophobicContact CB-CG1 4.28Å; L199-V231 HydrophobicContact CD1-CG2 4.37Å; R201-V231 HydrophobicContact CB-CB 4.24Å; R201-V231 HydrophobicContact CB-CG1 3.79Å; R201-V231 HydrophobicContact CG-CB 4.1Å; R201-V231 HydrophobicContact CG-CG1 4.15Å; Q204-V231 WeakPolarHBondContact O-CG2 3.26Å; P205-V231 PolarHBondContact O-N 2.81Å; L207-V231 HydrophobicContact CD1-CG2 3.72Å
232L93.4Very high93.9Very high67 Ų6749.3 Ų49.335%0.35127%0.273SS..EExtended strand (participates in β ladder)trans-102.1113.8177.2-60.9-178.1000109.9K140 I141 S142 E143 Q230K140-L232 HydrophobicContact CB-CD1 3.97Å; K140-L232 HydrophobicContact CB-CD2 4.2Å; K140-L232 HydrophobicContact CB-CG 4.09Å; K140-L232 HydrophobicContact CD-CD2 4.35Å; I141-L232 PolarHBondContact O-N 3.41Å; S142-L232 WeakPolarHBondContact CA-O 3.13Å; S142-L232 PolarHBondContact OG-O 2.63Å; E143-L232 PolarHBondContact N-O 3.45Å; Q230-L232 HydrophobicContact CG-CD2 4.45Å
233D93Very high93.9Very high39 Ų3951.2 Ų51.221%0.20927%0.274CS..  trans-39.8132.3168.8-158.960.6000112.9E143 R201 A270 F273E143-D233 WeakPolarHBondContact OE1-CA 3.32Å; R201-D233 WeakPolarHBondContact CD-OD1 3.16Å; R201-D233 IonicContact CZ-OD1 3.42Å; R201-D233 IonicContact NE-OD1 3.24Å; R201-D233 PolarHBondContact NE-OD1 3.3Å; R201-D233 IonicContact NH2-OD1 2.66Å; R201-D233 PolarHBondContact NH2-OD1 2.97Å; D233-A270 HydrophobicContact CB-CB 4.35Å; D233-A270 WeakPolarHBondContact OD1-CB 3.49Å; D233-A270 PolarHBondContact OD1-N 3.09Å; D233-A270 WeakPolarHBondContact OD2-CA 3.41Å; D233-A270 WeakPolarHBondContact OD2-CB 3.19Å; D233-A270 PolarHBondContact OD2-N 2.75Å; D233-A270 VanDerWaalsContact OD2-N 3.12Å; D233-A270 VanDerWaalsContact OD2-O 3.09Å; D233-F273 WeakPolarHBondContact OD2-CD2 3.5Å
234I92.9Very high93.9Very high33 Ų3359.2 Ų59.217%0.16931%0.309CS..  trans-116.4177.6158.767.1157.7000109.6S142 E143 I144 D236S142-I234 VanDerWaalsContact OG-CG2 3.23Å; S142-I234 WeakPolarHBondContact OG-CG2 3.14Å; E143-I234 HydrophobicContact CG-CD1 4.43Å; E143-I234 HydrophobicContact CG-CG1 3.85Å; E143-I234 PolarHBondContact OE1-N 2.75Å; I144-I234 HydrophobicContact CB-CD1 3.89Å; I144-I234 HydrophobicContact CD1-CD1 3.99Å; I144-I234 HydrophobicContact CG1-CD1 4.34Å; I144-I234 HydrophobicContact CG2-CG2 4.24Å; I234-D236 HydrophobicContact CD1-CB 3.68Å; I234-D236 HydrophobicContact CG1-CB 4.02Å
235N93.3Very high93.8Very high32 Ų3259.4 Ų59.417%0.17131%0.306CS..SBendtrans-101.879.3176.3-160120000108.8D269 F273 D321 G323 L325N235-D269 VanDerWaalsContact CA-OD2 3.23Å; N235-D269 WeakPolarHBondContact CA-OD2 3.43Å; N235-F273 HydrophobicContact CB-CB 4.12Å; N235-F273 HydrophobicContact CB-CD1 3.79Å; N235-F273 HydrophobicContact CB-CD2 3.98Å; N235-F273 HydrophobicContact CB-CE1 4.17Å; N235-F273 HydrophobicContact CB-CE2 4.34Å; N235-F273 HydrophobicContact CB-CG 3.7Å; N235-F273 HydrophobicContact CB-CZ 4.44Å; N235-F273 WeakPolarHBondContact OD1-CA 3.25Å; N235-F273 WeakPolarHBondContact OD1-CB 3.43Å; N235-F273 WeakPolarHBondContact OD1-CD1 3.49Å; N235-F273 VanDerWaalsContact OD1-CG 3.24Å; N235-F273 WeakPolarHBondContact OD1-CG 3.45Å; N235-D321 PolarHBondContact ND2-OD2 2.84Å; N235-D321 PolarHBondContact OD1-OD2 3.07Å; N235-G323 VanDerWaalsContact OD1-CA 3.24Å; N235-G323 WeakPolarHBondContact OD1-CA 3.35Å; N235-G323 PolarHBondContact OD1-N 3.02Å; N235-L325 WeakPolarHBondContact ND2-CD1 3.46Å; N235-L325 WeakPolarHBondContact ND2-CG 3.44Å; N235-L325 WeakPolarHBondContact O-CD1 3.4Å
236D91.6Very high93.9Very high89 Ų8959.9 Ų59.948%0.47631%0.307SS..  trans-119.7-8.4-179.768.6-24.9000115.4I234 D269I234-D236 HydrophobicContact CD1-CB 3.68Å; I234-D236 HydrophobicContact CG1-CB 4.02Å; D236-D269 PolarHBondContact N-OD2 3.36Å
237N92.4Very high93.8Very high45 Ų4560.9 Ų60.924%0.24131%0.312CS..SBendtrans-85.6165.1160.2-63.6-86.7000110.4L268 D269 L325N237-L268 HydrophobicContact CB-CB 4.23Å; N237-D269 VanDerWaalsContact CB-OD1 3.27Å; N237-D269 WeakPolarHBondContact CB-OD1 3.45Å; N237-D269 PolarHBondContact N-OD1 3.26Å; N237-D269 PolarHBondContact N-OD2 2.88Å; N237-D269 PolarHBondContact ND2-OD1 3.29Å; N237-L325 WeakPolarHBondContact O-CD1 3.21Å
238I93.9Very high93.8Very high95 Ų9561.3 Ų61.349%0.48732%0.316SS..  trans-124.2153.6174.768.8176000109.3E240 D267 L325I238-E240 PolarHBondContact O-N 2.91Å; I238-D267 VanDerWaalsContact C-OD2 3.29Å; I238-L325 HydrophobicContact CB-CB 4.45Å; I238-L325 HydrophobicContact CG2-CB 3.8Å; I238-L325 HydrophobicContact CG2-CD1 3.86Å; I238-L325 HydrophobicContact CG2-CG 4.41Å
239P95.8Very high93.9Very high1 Ų165.1 Ų65.11%0.00633%0.334CS..  trans-61.9111.2175.4-26.536000112.3A265 D267 V276 A319 D321 G327P239-A265 HydrophobicContact CB-CB 4.14Å; P239-D267 VanDerWaalsContact CD-OD2 3.25Å; P239-D267 WeakPolarHBondContact CD-OD2 3.2Å; P239-D267 WeakPolarHBondContact CG-OD2 3.39Å; P239-V276 HydrophobicContact CB-CG1 4.14Å; P239-V276 HydrophobicContact CB-CG2 3.92Å; P239-V276 HydrophobicContact CG-CG1 4.46Å; P239-V276 HydrophobicContact CG-CG2 4.09Å; P239-A319 HydrophobicContact CB-CB 3.81Å; P239-D321 HydrophobicContact CG-CB 3.87Å; P239-G327 WeakPolarHBondContact O-CA 3.38Å
240E94.8Very high93.9Very high150 Ų15065.1 Ų65.170%0.70133%0.334SS*.EExtended strand (participates in β ladder)trans-95.6122179.4-171.7179.9-154.300110.8I238 A265 R266I238-E240 PolarHBondContact O-N 2.91Å; E240-A265 CarbonylContact O-C 3.54Å; E240-A265 WeakPolarHBondContact O-CA 3.46Å; E240-R266 PolarHBondContact N-O 3.46Å; E240-R266 PolarHBondContact O-N 2.87Å
241F95.1Very high93.9Very high20 Ų2064 Ų649%0.08833%0.332CS..EExtended strand (participates in β ladder)trans-71.8146.2174.4-77.8-83000111.9Q243 Y246 V263 A265 Y278 V317 A319 C329F241-Q243 WeakPolarHBondContact CB-O 3.36Å; F241-Q243 PolarHBondContact O-N 3.08Å; F241-Q243 VanDerWaalsContact O-N 3.12Å; F241-Y246 HydrophobicContact CD1-CE2 4.33Å; F241-V263 HydrophobicContact CD1-CB 4.4Å; F241-V263 HydrophobicContact CE1-CB 4.1Å; F241-V263 HydrophobicContact CE1-CG2 4.04Å; F241-A265 HydrophobicContact CD1-CB 3.79Å; F241-A265 HydrophobicContact CD2-CB 4.24Å; F241-A265 HydrophobicContact CE1-CB 3.98Å; F241-A265 HydrophobicContact CE2-CB 4.41Å; F241-A265 HydrophobicContact CG-CB 3.95Å; F241-A265 HydrophobicContact CZ-CB 4.31Å; F241-Y278 HydrophobicContact CE1-CD1 4.19Å; F241-Y278 HydrophobicContact CE1-CE1 4.04Å; F241-Y278 HydrophobicContact CZ-CD1 4.36Å; F241-Y278 HydrophobicContact CZ-CE1 4.5Å; F241-V317 HydrophobicContact CZ-CB 4.33Å; F241-V317 HydrophobicContact CZ-CG1 4.15Å; F241-A319 HydrophobicContact CD2-CB 4.39Å; F241-A319 HydrophobicContact CE1-CB 4.16Å; F241-A319 HydrophobicContact CE2-CB 3.52Å; F241-A319 HydrophobicContact CZ-CB 3.39Å; F241-C329 HydrophobicContact CB-CB 4Å; F241-C329 HydrophobicContact CD1-CB 4.27Å; F241-C329 VanDerWaalsContact CD1-SG 3.51Å; F241-C329 HydrophobicContact CD2-CB 3.8Å; F241-C329 VanDerWaalsContact CE1-SG 3.56Å; F241-C329 HydrophobicContact CE2-CB 4.29Å; F241-C329 HydrophobicContact CG-CB 3.77Å
242A91.5Very high93.9Very high83 Ų8364 Ų6469%0.68633%0.332SS*.SBendtrans-64.5-15.8177.500000114.6S264A242-S264 PolarHBondContact N-O 3.43Å; A242-S264 VanDerWaalsContact N-O 3.09Å
243Q92.2Very high93.9Very high107 Ų10765.8 Ų65.850%0.534%0.341SS..  trans-149143.8177.9-56.3-179.55.300108.9F241 L245 Y246 C329F241-Q243 WeakPolarHBondContact CB-O 3.36Å; F241-Q243 PolarHBondContact O-N 3.08Å; F241-Q243 VanDerWaalsContact O-N 3.12Å; Q243-L245 PolarHBondContact OE1-O 3.32Å; Q243-Y246 HydrophobicContact CB-CD2 4.27Å; Q243-Y246 HydrophobicContact CB-CE1 4.15Å; Q243-Y246 HydrophobicContact CB-CE2 3.89Å; Q243-Y246 HydrophobicContact CG-CE1 4.19Å; Q243-Y246 VanDerWaalsContact O-CE2 3.29Å; Q243-Y246 WeakPolarHBondContact O-CE2 3.27Å; Q243-C329 WeakPolarHBondContact O-CB 3.33Å
244E91.6Very high94Very high179 Ų17966.1 Ų66.184%0.83634%0.343SS*.SBendtrans-74-33.4173.2-64.3-178.9167.900112.1C329 S330E244-C329 WeakPolarHBondContact O-CA 3.19Å; E244-C329 WeakPolarHBondContact O-CB 3.3Å; E244-S330 PolarHBondContact O-N 2.82Å
245L94.2Very high94.1Very high92 Ų9269 Ų6948%0.48236%0.364SS..EExtended strand (participates in β ladder)trans-128.3124.3179.8174.464.3000109.6Q243 S330 V332Q243-L245 PolarHBondContact OE1-O 3.32Å; L245-S330 WeakPolarHBondContact CA-O 3.1Å; L245-V332 HydrophobicContact CD1-CG2 3.77Å
246Y94.8Very high94.1Very high13 Ų1372.9 Ų72.95%0.05138%0.384CS..EExtended strand (participates in β ladder)trans-104.6140.3168.3-68-96.1000109.6F241 Q243 I261 V263 S264 C329 S330 L331 V332F241-Y246 HydrophobicContact CD1-CE2 4.33Å; Q243-Y246 HydrophobicContact CB-CD2 4.27Å; Q243-Y246 HydrophobicContact CB-CE1 4.15Å; Q243-Y246 HydrophobicContact CB-CE2 3.89Å; Q243-Y246 HydrophobicContact CG-CE1 4.19Å; Q243-Y246 VanDerWaalsContact O-CE2 3.29Å; Q243-Y246 WeakPolarHBondContact O-CE2 3.27Å; Y246-I261 HydrophobicContact CD1-CD1 4.15Å; Y246-V263 HydrophobicContact CD1-CG1 4.21Å; Y246-V263 HydrophobicContact CD2-CG1 3.98Å; Y246-V263 HydrophobicContact CE1-CG1 4.24Å; Y246-V263 HydrophobicContact CE2-CB 4.4Å; Y246-V263 HydrophobicContact CE2-CG1 4.01Å; Y246-V263 HydrophobicContact CG-CG1 4.08Å; Y246-S264 PolarHBondContact OH-O 2.94Å; Y246-C329 HydrophobicContact CD2-CB 4.23Å; Y246-C329 HydrophobicContact CE2-CB 4.07Å; Y246-S330 PolarHBondContact N-O 3.06Å; Y246-L331 WeakPolarHBondContact O-CA 3.39Å; Y246-V332 PolarHBondContact O-N 3.47Å
247E95.3Very high94.2Very high107 Ų10770.4 Ų70.450%0.538%0.379SS..EExtended strand (participates in β ladder)trans-117.1135.8168.3-65.9-157.514500110.2V332 R334E247-V332 WeakPolarHBondContact CA-O 3.46Å; E247-V332 HydrophobicContact CG-CB 4.43Å; E247-R334 IonicContact OE1-CZ 3.33Å; E247-R334 IonicContact OE1-NE 3.51Å; E247-R334 IonicContact OE1-NH2 3.36Å; E247-R334 PolarHBondContact OE1-NH2 2.72Å; E247-R334 IonicContact OE2-NE 3.78Å
248A94.8Very high94.3Very high9 Ų969.2 Ų69.27%0.07438%0.375CS..EExtended strand (participates in β ladder)trans-128.9151.6174.700000110.7V260 I261 L331 V332 V333 R334A248-V260 HydrophobicContact CB-CG1 3.9Å; A248-I261 HydrophobicContact CB-CB 4.21Å; A248-I261 HydrophobicContact CB-CD1 4.17Å; A248-L331 HydrophobicContact CB-CD1 4.19Å; A248-V332 PolarHBondContact N-O 2.93Å; A248-V333 HydrophobicContact CB-CG2 4.49Å; A248-R334 PolarHBondContact O-N 2.72Å
249Q95.8Very high94.3Very high133 Ų13369 Ų6962%0.62137%0.374SS*.EExtended strand (participates in β ladder)trans-125.2131.5173.3-68-174.8-19.600109.2R334 L336Q249-R334 WeakPolarHBondContact CA-O 3.06Å; Q249-R334 HydrophobicContact CG-CB 4.32Å; Q249-L336 HydrophobicContact CB-CD1 4.07Å; Q249-L336 HydrophobicContact CB-CD2 4.35Å; Q249-L336 HydrophobicContact CB-CG 4.2Å; Q249-L336 HydrophobicContact CG-CD2 4.45Å
250I95.3Very high94.3Very high3 Ų370 Ų702%0.01538%0.38CS..EExtended strand (participates in β ladder)trans-140126.4-178.1-175.6160.2000110.7N254 V260 L301 L305 V333 R334 V335 L336I250-N254 HydrophobicContact CD1-CB 4.01Å; I250-N254 WeakPolarHBondContact CD1-ND2 3.24Å; I250-N254 HydrophobicContact CG1-CB 3.93Å; I250-N254 WeakPolarHBondContact CG1-ND2 3.3Å; I250-V260 HydrophobicContact CD1-CG2 3.9Å; I250-L301 HydrophobicContact CD1-CD2 4.32Å; I250-L305 HydrophobicContact CD1-CD1 4.39Å; I250-L305 HydrophobicContact CG1-CD1 4.26Å; I250-L305 HydrophobicContact CG2-CD1 3.55Å; I250-V333 HydrophobicContact CG2-CG1 3.54Å; I250-R334 PolarHBondContact N-O 2.86Å; I250-R334 VanDerWaalsContact N-O 3.07Å; I250-V335 CarbonylContact O-C 3.57Å; I250-V335 WeakPolarHBondContact O-CA 3.26Å; I250-L336 PolarHBondContact O-N 2.83Å
251P95.1Very high94.3Very high41 Ų4164.4 Ų64.427%0.26636%0.355SS..EExtended strand (participates in β ladder)trans-60.1141.2169.1-21.933.8000111.2N253 N254 L336 V338P251-N253 VanDerWaalsContact C-N 3.3Å; P251-N253 PolarHBondContact O-N 3.4Å; P251-N254 VanDerWaalsContact O-CB 3.3Å; P251-N254 WeakPolarHBondContact O-CB 3.23Å; P251-N254 PolarHBondContact O-N 2.76Å; P251-L336 WeakPolarHBondContact CA-O 3.14Å; P251-V338 HydrophobicContact CB-CG2 3.82Å
252E95Very high94.3Very high7 Ų766.8 Ų66.83%0.03337%0.371CS..THydrogen-bonded Turntrans-64.3-36-176.869.9-158.5109.100113.7N254 L305 F307 V335 L336 D337 V338E252-N254 PolarHBondContact O-N 2.75Å; E252-L305 HydrophobicContact CB-CB 4.07Å; E252-F307 WeakPolarHBondContact OE1-CB 3.43Å; E252-F307 WeakPolarHBondContact OE2-CB 3.32Å; E252-F307 PolarHBondContact OE2-N 2.92Å; E252-V335 HydrophobicContact CB-CG1 3.7Å; E252-L336 PolarHBondContact N-O 3.22Å; E252-D337 VanDerWaalsContact OE1-CA 3.29Å; E252-D337 WeakPolarHBondContact OE1-CA 3.23Å; E252-V338 HydrophobicContact CG-CB 4.3Å; E252-V338 HydrophobicContact CG-CG2 4.47Å; E252-V338 PolarHBondContact OE1-N 2.77Å
253N93.9Very high94.5Very high103 Ų10362.9 Ų62.955%0.55134%0.339SS*.THydrogen-bonded Turntrans-72.36.6179.377.3-7.5000114.2P251 V338P251-N253 VanDerWaalsContact C-N 3.3Å; P251-N253 PolarHBondContact O-N 3.4Å; N253-V338 WeakPolarHBondContact ND2-CG1 3.29Å
254N94.9Very high94.6Very high46 Ų4661.1 Ų61.125%0.24634%0.338CS..PPolyproline II helixtrans-61.2136.8179-101.625.2000111.2I250 P251 E252 L301I250-N254 HydrophobicContact CD1-CB 4.01Å; I250-N254 WeakPolarHBondContact CD1-ND2 3.24Å; I250-N254 HydrophobicContact CG1-CB 3.93Å; I250-N254 WeakPolarHBondContact CG1-ND2 3.3Å; P251-N254 VanDerWaalsContact O-CB 3.3Å; P251-N254 WeakPolarHBondContact O-CB 3.23Å; P251-N254 PolarHBondContact O-N 2.76Å; E252-N254 PolarHBondContact O-N 2.75Å; N254-L301 HydrophobicContact CB-CD2 4.19Å; N254-L301 WeakPolarHBondContact O-CD2 3.43Å
255P94.9Very high94.7Very high94 Ų9453 Ų5361%0.6130%0.302SS*.PPolyproline II helixtrans-68.4150-179.328.6-35.2000111.9S258P255-S258 WeakPolarHBondContact O-CB 3.45Å; P255-S258 PolarHBondContact O-N 2.96Å; P255-S258 VanDerWaalsContact O-N 3.11Å; P255-S258 PolarHBondContact O-OG 3.38Å
256L93.8Very high94.7Very high113 Ų11357.2 Ų57.259%0.59231%0.311SS*.THydrogen-bonded Turntrans-55.6138.8172.8-53.8-177.3000110.8S258L256-S258 VanDerWaalsContact C-N 3.34Å
257G92.4Very high94.7Very high37 Ų3757.3 Ų57.338%0.38131%0.313SS..THydrogen-bonded Turntrans84.3-0.4-173.800000114.8L301G257-L301 WeakPolarHBondContact CA-O 3.23Å; G257-L301 PolarHBondContact N-O 2.94Å
258S94.5Very high94.6Very high21 Ų2156.1 Ų56.115%0.14731%0.309CS..  trans-61142.317355.70000111.7P255 L256 R300 L301P255-S258 WeakPolarHBondContact O-CB 3.45Å; P255-S258 PolarHBondContact O-N 2.96Å; P255-S258 VanDerWaalsContact O-N 3.11Å; P255-S258 PolarHBondContact O-OG 3.38Å; L256-S258 VanDerWaalsContact C-N 3.34Å; S258-R300 CarbonylContact O-C 3.58Å; S258-R300 WeakPolarHBondContact O-CA 3.34Å; S258-R300 WeakPolarHBondContact O-CB 3.45Å; S258-L301 PolarHBondContact O-N 3.08Å; S258-L301 WeakPolarHBondContact OG-CB 3.36Å
259L95.4Very high94.6Very high90 Ų9056.2 Ų56.247%0.47131%0.308SS..EExtended strand (participates in β ladder)trans-76.1124.8174.1-178.569.6000109.2E298 R300L259-E298 HydrophobicContact CD1-CB 3.72Å; L259-E298 HydrophobicContact CD1-CG 3.8Å; L259-R300 HydrophobicContact CD1-CG 4.27Å
260V95.1Very high94.4Very high21 Ų2151.7 Ų51.713%0.12729%0.294CS..EExtended strand (participates in β ladder)trans-86.5-56.5175.1-174.10000109.2A248 I250 F290 I299 V333A248-V260 HydrophobicContact CB-CG1 3.9Å; I250-V260 HydrophobicContact CD1-CG2 3.9Å; V260-F290 HydrophobicContact CG2-CD1 3.92Å; V260-F290 HydrophobicContact CG2-CE1 4.01Å; V260-I299 HydrophobicContact CB-CG2 4.41Å; V260-I299 WeakPolarHBondContact CB-O 3.33Å; V260-I299 PolarHBondContact N-O 2.77Å; V260-V333 HydrophobicContact CG1-CG1 3.9Å; V260-V333 HydrophobicContact CG1-CG2 4.12Å
261I95.3Very high94.1Very high34 Ų3455.1 Ų55.117%0.17433%0.33CS..EExtended strand (participates in β ladder)trans-160.6163.7-179.7-165.9159.1000109.5Y246 A248 I299 L331Y246-I261 HydrophobicContact CD1-CD1 4.15Å; A248-I261 HydrophobicContact CB-CB 4.21Å; A248-I261 HydrophobicContact CB-CD1 4.17Å; I261-I299 HydrophobicContact CG2-CB 4.23Å; I261-I299 HydrophobicContact CG2-CD1 4.12Å; I261-I299 PolarHBondContact O-N 3.09Å; I261-L331 HydrophobicContact CD1-CD1 4.38Å; I261-L331 HydrophobicContact CG2-CD1 3.94Å; I261-L331 HydrophobicContact CG2-CD2 3.85Å
262T95.3Very high93.8Very high70 Ų7056.6 Ų56.643%0.42934%0.341SS..EExtended strand (participates in β ladder)trans-117.8120.5169-53.20000108.5G297 E298T262-G297 WeakPolarHBondContact CA-O 3.48Å; T262-E298 HydrophobicContact CG2-CG 4.18Å
263V94.9Very high93.7Very high1 Ų159 Ų591%0.00635%0.352CS..  trans-93.3154.3171.1-63.40000110F241 Y246 Y278 I292 G297 I299 V317F241-V263 HydrophobicContact CD1-CB 4.4Å; F241-V263 HydrophobicContact CE1-CB 4.1Å; F241-V263 HydrophobicContact CE1-CG2 4.04Å; Y246-V263 HydrophobicContact CD1-CG1 4.21Å; Y246-V263 HydrophobicContact CD2-CG1 3.98Å; Y246-V263 HydrophobicContact CE1-CG1 4.24Å; Y246-V263 HydrophobicContact CE2-CB 4.4Å; Y246-V263 HydrophobicContact CE2-CG1 4.01Å; Y246-V263 HydrophobicContact CG-CG1 4.08Å; V263-Y278 HydrophobicContact CG2-CD1 4.35Å; V263-I292 HydrophobicContact CG2-CD1 4.03Å; V263-G297 WeakPolarHBondContact CG2-O 3.45Å; V263-G297 PolarHBondContact N-O 3.44Å; V263-I299 HydrophobicContact CG1-CD1 4.15Å; V263-I299 HydrophobicContact CG2-CD1 4.32Å; V263-V317 HydrophobicContact CG2-CG1 4.14Å
264S94.3Very high93.4Very high70 Ų7055.4 Ų55.449%0.4934%0.338SS..  trans-142130.2176.7-1730000110.2A242 Y246A242-S264 PolarHBondContact N-O 3.43Å; A242-S264 VanDerWaalsContact N-O 3.09Å; Y246-S264 PolarHBondContact OH-O 2.94Å
265A94.5Very high93.3Very high9 Ų959.7 Ų59.77%0.07436%0.355CS..EExtended strand (participates in β ladder)trans-116.9148.9168.400000110P239 E240 F241 V276 Y278 A319P239-A265 HydrophobicContact CB-CB 4.14Å; E240-A265 CarbonylContact O-C 3.54Å; E240-A265 WeakPolarHBondContact O-CA 3.46Å; F241-A265 HydrophobicContact CD1-CB 3.79Å; F241-A265 HydrophobicContact CD2-CB 4.24Å; F241-A265 HydrophobicContact CE1-CB 3.98Å; F241-A265 HydrophobicContact CE2-CB 4.41Å; F241-A265 HydrophobicContact CG-CB 3.95Å; F241-A265 HydrophobicContact CZ-CB 4.31Å; A265-V276 HydrophobicContact CB-CG1 4.28Å; A265-Y278 HydrophobicContact CB-CE1 3.95Å; A265-Y278 PolarHBondContact N-OH 3.25Å; A265-Y278 PolarHBondContact O-OH 2.81Å; A265-A319 HydrophobicContact CB-CB 3.53Å
266R93.7Very high93.3Very high180 Ų18056.2 Ų56.268%0.67933%0.332SS*.EExtended strand (participates in β ladder)trans-122.6130.3-179.4178.4177.7177.2-162.1-5.8109.2E240E240-R266 PolarHBondContact N-O 3.46Å; E240-R266 PolarHBondContact O-N 2.87Å
267D95Very high93.3Very high15 Ų1553.3 Ų53.38%0.0832%0.321CS..  trans-102.4156.9166.4-154.2-65.9000109.8I238 P239 D269 V276I238-D267 VanDerWaalsContact C-OD2 3.29Å; P239-D267 VanDerWaalsContact CD-OD2 3.25Å; P239-D267 WeakPolarHBondContact CD-OD2 3.2Å; P239-D267 WeakPolarHBondContact CG-OD2 3.39Å; D267-D269 WeakPolarHBondContact OD1-CB 3.5Å; D267-D269 PolarHBondContact OD1-N 3.32Å; D267-V276 HydrophobicContact CB-CG2 3.95Å
268L93.7Very high93.5Very high81 Ų8152.7 Ų52.742%0.42431%0.308SS..  trans-104.9-18.5-179.6-60.5-177.3000112.9R201 E202 N237R201-L268 PolarHBondContact NH2-O 2.77Å; E202-L268 HydrophobicContact CG-CB 3.85Å; N237-L268 HydrophobicContact CB-CB 4.23Å
269D94.3Very high93.4Very high11 Ų1153.7 Ų53.76%0.05932%0.317CS..SBendtrans-67.4169.8-179.4-63.2-11.9000111.5R201 N235 D236 N237 D267 F273 G274R201-D269 VanDerWaalsContact NH2-C 3.31Å; N235-D269 VanDerWaalsContact CA-OD2 3.23Å; N235-D269 WeakPolarHBondContact CA-OD2 3.43Å; D236-D269 PolarHBondContact N-OD2 3.36Å; N237-D269 VanDerWaalsContact CB-OD1 3.27Å; N237-D269 WeakPolarHBondContact CB-OD1 3.45Å; N237-D269 PolarHBondContact N-OD1 3.26Å; N237-D269 PolarHBondContact N-OD2 2.88Å; N237-D269 PolarHBondContact ND2-OD1 3.29Å; D267-D269 WeakPolarHBondContact OD1-CB 3.5Å; D267-D269 PolarHBondContact OD1-N 3.32Å; D269-F273 HydrophobicContact CB-CB 3.55Å; D269-G274 WeakPolarHBondContact O-CA 3.38Å; D269-G274 PolarHBondContact O-N 3.05Å
270A90.2Very high93.2Very high38 Ų3851.6 Ų51.631%0.31431%0.306SS..  trans-98.9160.6-176.500000113.9D233 S272 F273 G274D233-A270 HydrophobicContact CB-CB 4.35Å; D233-A270 WeakPolarHBondContact OD1-CB 3.49Å; D233-A270 PolarHBondContact OD1-N 3.09Å; D233-A270 WeakPolarHBondContact OD2-CA 3.41Å; D233-A270 WeakPolarHBondContact OD2-CB 3.19Å; D233-A270 PolarHBondContact OD2-N 2.75Å; D233-A270 VanDerWaalsContact OD2-N 3.12Å; D233-A270 VanDerWaalsContact OD2-O 3.09Å; A270-S272 PolarHBondContact O-N 3.02Å; A270-F273 PolarHBondContact O-N 2.65Å; A270-G274 PolarHBondContact O-N 2.77Å
271G89.4Confident92.5Very high75 Ų7554.7 Ų54.777%0.77332%0.318SS*.THydrogen-bonded Turntrans61.3-108.6166.400000114.4
272S89.9Confident91.3Very high72 Ų7256.2 Ų56.250%0.50333%0.325SS..THydrogen-bonded Turntrans-86.2-30.1177.947.20000113.4A270 K275 G322A270-S272 PolarHBondContact O-N 3.02Å; S272-K275 PolarHBondContact O-N 2.95Å; S272-G322 VanDerWaalsContact O-CA 3.26Å; S272-G322 WeakPolarHBondContact O-CA 3.46Å; S272-G322 PolarHBondContact O-N 2.67Å
273F91.3Very high89.3Confident59 Ų5959 Ų5926%0.25934%0.341SS..THydrogen-bonded Turntrans-70.9-44.4177.6-58.6-30.7000108.9D233 N235 D269 A270 K275 D321D233-F273 WeakPolarHBondContact OD2-CD2 3.5Å; N235-F273 HydrophobicContact CB-CB 4.12Å; N235-F273 HydrophobicContact CB-CD1 3.79Å; N235-F273 HydrophobicContact CB-CD2 3.98Å; N235-F273 HydrophobicContact CB-CE1 4.17Å; N235-F273 HydrophobicContact CB-CE2 4.34Å; N235-F273 HydrophobicContact CB-CG 3.7Å; N235-F273 HydrophobicContact CB-CZ 4.44Å; N235-F273 WeakPolarHBondContact OD1-CA 3.25Å; N235-F273 WeakPolarHBondContact OD1-CB 3.43Å; N235-F273 WeakPolarHBondContact OD1-CD1 3.49Å; N235-F273 VanDerWaalsContact OD1-CG 3.24Å; N235-F273 WeakPolarHBondContact OD1-CG 3.45Å; D269-F273 HydrophobicContact CB-CB 3.55Å; A270-F273 PolarHBondContact O-N 2.65Å; F273-K275 PolarHBondContact O-N 3.26Å; F273-D321 VanDerWaalsContact O-CB 3.3Å; F273-D321 WeakPolarHBondContact O-CB 3.44Å
274G89.1Confident87.5Confident26 Ų2665.8 Ų65.827%0.26838%0.378SS..THydrogen-bonded Turntrans-64.41.8169.900000117.5D269 A270D269-G274 WeakPolarHBondContact O-CA 3.38Å; D269-G274 PolarHBondContact O-N 3.05Å; A270-G274 PolarHBondContact O-N 2.77Å
275K92.7Very high85.6Confident136 Ų13669.9 Ų69.959%0.59139%0.394SS*.  trans-104.199-174.1-169.1-172.9174.1-171.40112.3S272 F273 G322S272-K275 PolarHBondContact O-N 2.95Å; F273-K275 PolarHBondContact O-N 3.26Å; K275-G322 PolarHBondContact O-N 2.93Å
276V94.4Very high83.6Confident21 Ų2176.4 Ų76.413%0.12743%0.426CS..  trans-71.1145.4176.5-171.90000113P239 A265 D267 Y278 A319 T320P239-V276 HydrophobicContact CB-CG1 4.14Å; P239-V276 HydrophobicContact CB-CG2 3.92Å; P239-V276 HydrophobicContact CG-CG1 4.46Å; P239-V276 HydrophobicContact CG-CG2 4.09Å; A265-V276 HydrophobicContact CB-CG1 4.28Å; D267-V276 HydrophobicContact CB-CG2 3.95Å; V276-Y278 HydrophobicContact CG1-CD1 4.41Å; V276-Y278 HydrophobicContact CG1-CE1 3.96Å; V276-Y278 HydrophobicContact CG1-CE2 4.29Å; V276-A319 HydrophobicContact CG1-CB 3.66Å; V276-T320 CarbonylContact C-O 3.59Å
277S94.9Very high82.1Confident53 Ų5374 Ų7437%0.37143%0.426SS..EExtended strand (participates in β ladder)trans-131146.4165.961.80000110.6A294 A319 T320S277-A294 VanDerWaalsContact CA-O 3.26Å; S277-A294 WeakPolarHBondContact CA-O 3.48Å; S277-A319 CarbonylContact O-C 3.55Å; S277-A319 WeakPolarHBondContact O-CA 3.41Å; S277-T320 PolarHBondContact N-O 2.96Å; S277-T320 PolarHBondContact O-N 2.96Å; S277-T320 PolarHBondContact OG-O 3.41Å
278Y94.9Very high81.2Confident23 Ų2376.3 Ų76.39%0.0944%0.437CS..EExtended strand (participates in β ladder)trans-111.7141.9-171.8-56.4-85.5000113.2F241 V263 A265 V276 A294 E318 A319F241-Y278 HydrophobicContact CE1-CD1 4.19Å; F241-Y278 HydrophobicContact CE1-CE1 4.04Å; F241-Y278 HydrophobicContact CZ-CD1 4.36Å; F241-Y278 HydrophobicContact CZ-CE1 4.5Å; V263-Y278 HydrophobicContact CG2-CD1 4.35Å; A265-Y278 HydrophobicContact CB-CE1 3.95Å; A265-Y278 PolarHBondContact N-OH 3.25Å; A265-Y278 PolarHBondContact O-OH 2.81Å; V276-Y278 HydrophobicContact CG1-CD1 4.41Å; V276-Y278 HydrophobicContact CG1-CE1 3.96Å; V276-Y278 HydrophobicContact CG1-CE2 4.29Å; Y278-A294 PolarHBondContact N-O 2.93Å; Y278-A294 VanDerWaalsContact N-O 3.08Å; Y278-A294 WeakPolarHBondContact O-CA 3.2Å; Y278-A294 WeakPolarHBondContact O-CB 3.2Å; Y278-E318 WeakPolarHBondContact CA-O 3.43Å; Y278-A319 HydrophobicContact CD1-CB 4.04Å; Y278-A319 HydrophobicContact CE1-CB 4.08Å
279A92.9Very high81Confident42 Ų4272.6 Ų72.635%0.34742%0.418SS..EExtended strand (participates in β ladder)trans-142.2151.3174.200000111.2V317 E318A279-V317 WeakPolarHBondContact O-CG1 3.44Å; A279-E318 PolarHBondContact N-O 2.97Å; A279-E318 PolarHBondContact O-N 2.88Å
280L91.1Very high80.9Confident47 Ų4772.5 Ų72.525%0.24642%0.417CS..EExtended strand (participates in β ladder)trans-80.1124.4167-59.1-176.2000107.7F290 I292 I299 V315 V317L280-F290 HydrophobicContact CD1-CB 4.08Å; L280-I292 HydrophobicContact CD2-CB 3.91Å; L280-I292 HydrophobicContact CD2-CD1 4.16Å; L280-I292 HydrophobicContact CD2-CG2 4.06Å; L280-I292 HydrophobicContact CG-CB 4Å; L280-I292 HydrophobicContact CG-CG2 3.78Å; L280-I299 HydrophobicContact CD2-CD1 4.24Å; L280-I299 HydrophobicContact CD2-CG1 4.46Å; L280-V315 HydrophobicContact CB-CG1 4.48Å; L280-V315 HydrophobicContact CD1-CG1 4.38Å; L280-V315 HydrophobicContact CD2-CG1 3.92Å; L280-V315 HydrophobicContact CG-CG1 4.47Å; L280-V317 HydrophobicContact CD2-CG1 4.4Å; L280-V317 HydrophobicContact CD2-CG2 4.01Å
281F80.6Confident81Confident86 Ų8675 Ų7538%0.37742%0.422SS..  trans-102.179.2-173.3-176.6-96.7000110D316 E318 K328F281-D316 HydrophobicContact CB-CB 4.4Å; F281-D316 HydrophobicContact CD1-CB 4.42Å; F281-D316 PolarHBondContact N-O 2.75Å; F281-E318 HydrophobicContact CB-CB 3.75Å; F281-E318 HydrophobicContact CD2-CB 4.24Å; F281-E318 VanDerWaalsContact CD2-OE2 3.28Å; F281-E318 WeakPolarHBondContact CD2-OE2 3.2Å; F281-E318 HydrophobicContact CG-CB 4.23Å; F281-K328 HydrophobicContact CD1-CD 4.13Å; F281-K328 VanDerWaalsContact CD2-NZ 3.3Å; F281-K328 HydrophobicContact CE1-CD 4.4Å; F281-K328 HydrophobicContact CG-CD 4.43Å
282Q69.3Low81.3Confident66 Ų6673 Ų7331%0.30839%0.393SS..  trans-146158.8175-110.8162.625.400114.7D314 D316Q282-D314 PolarHBondContact NE2-O 3.22Å; Q282-D314 PolarHBondContact OE1-O 3.37Å; Q282-D316 VanDerWaalsContact NE2-N 3.2Å; Q282-D316 PolarHBondContact NE2-OD2 2.78Å
283V53.8Low81.5Confident128 Ų12872.8 Ų72.878%0.77639%0.386SS*.SBendtrans-95-15.4-150.7178.50000113.5
284D56.4Low81.7Confident144 Ų14472.4 Ų72.477%0.7739%0.394SS*.  trans-118.469.4-177.1-71.6-58.1000111.9I286D284-I286 VanDerWaalsContact C-N 3.29Å; D284-I286 PolarHBondContact O-N 2.86Å
285D54.6Low81.8Confident156 Ų15677.5 Ų77.583%0.83441%0.414SS*.THydrogen-bonded Turntrans-75.545.7-163.8-169.125.9000116.2
286I54.1Low81.9Confident145 Ų14573.9 Ų73.974%0.74440%0.403SS*.THydrogen-bonded Turntrans-127.4-38.8178.5-56.5-178.3000112.5D284 K303D284-I286 VanDerWaalsContact C-N 3.29Å; D284-I286 PolarHBondContact O-N 2.86Å; I286-K303 PolarHBondContact O-NZ 2.86Å
287N60.7Low81.9Confident129 Ų12972.9 Ų72.969%0.6940%0.397SS*.SBendtrans-105.4-16.2-165.6-88.3-0.1000117.9K303N287-K303 VanDerWaalsContact C-NZ 3.31Å; N287-K303 VanDerWaalsContact CA-NZ 3.32Å; N287-K303 PolarHBondContact O-NZ 2.88Å
288Q77.3Confident81.9Confident64 Ų6472.4 Ų72.430%0.29939%0.389SS..  trans-61.8146.3-175.9-67.5-153.6-11.300114.6
289P89.3Confident81.9Confident4 Ų471.3 Ų71.33%0.02639%0.385CS..  trans-88.70.3-174.836.5-37.3000113.9L301 R302 K303 L305 Y313P289-L301 HydrophobicContact CB-CD1 4.21Å; P289-R302 WeakPolarHBondContact O-CA 3.42Å; P289-R302 WeakPolarHBondContact O-CB 3.29Å; P289-R302 PolarHBondContact O-N 2.71Å; P289-K303 HydrophobicContact CB-CB 3.93Å; P289-K303 PolarHBondContact O-N 2.8Å; P289-L305 HydrophobicContact CB-CD2 3.63Å; P289-L305 HydrophobicContact CG-CD2 3.53Å; P289-Y313 HydrophobicContact CG-CD1 4.38Å; P289-Y313 HydrophobicContact CG-CE1 3.92Å; P289-Y313 HydrophobicContact CG-CE2 4.15Å
290F92.5Very high82Confident9 Ų974.1 Ų74.14%0.03939%0.386CS..EExtended strand (participates in β ladder)trans-108.1155.5-173.6-51.2-63.4000113.6V260 L280 I299 R300 L301 L305 Y313 V315 V333V260-F290 HydrophobicContact CG2-CD1 3.92Å; V260-F290 HydrophobicContact CG2-CE1 4.01Å; L280-F290 HydrophobicContact CD1-CB 4.08Å; F290-I299 HydrophobicContact CB-CG2 4.06Å; F290-I299 HydrophobicContact CG-CG2 4.46Å; F290-R300 WeakPolarHBondContact CA-O 3.37Å; F290-L301 HydrophobicContact CD1-CD1 4.12Å; F290-L301 HydrophobicContact CE1-CD1 3.92Å; F290-L305 HydrophobicContact CE1-CD2 4.49Å; F290-L305 HydrophobicContact CZ-CD2 4.42Å; F290-Y313 HydrophobicContact CE2-CD1 4.3Å; F290-Y313 AromaticContact CE2-CD2 3.89Å; F290-Y313 HydrophobicContact CE2-CD2 3.89Å; F290-Y313 AromaticContact CE2-CG 3.72Å; F290-Y313 HydrophobicContact CE2-CG 3.72Å; F290-Y313 AromaticContact CZ-CD2 3.85Å; F290-Y313 HydrophobicContact CZ-CD2 3.85Å; F290-Y313 HydrophobicContact CZ-CE2 4.37Å; F290-Y313 HydrophobicContact CZ-CG 4.17Å; F290-V315 HydrophobicContact CD2-CG2 3.95Å; F290-V315 HydrophobicContact CE2-CG2 4.15Å; F290-V333 HydrophobicContact CE1-CG1 4.16Å; F290-V333 HydrophobicContact CE1-CG2 4.47Å; F290-V333 HydrophobicContact CE2-CB 4.29Å; F290-V333 HydrophobicContact CE2-CG2 4.11Å; F290-V333 HydrophobicContact CZ-CB 3.88Å; F290-V333 HydrophobicContact CZ-CG1 3.74Å; F290-V333 HydrophobicContact CZ-CG2 3.94Å
291E92.6Very high82.2Confident91 Ų9172 Ų7243%0.42538%0.375SS..EExtended strand (participates in β ladder)trans-133.7148.8167.462179.9-152.800110.2I299 R300 R302E291-I299 CarbonylContact O-C 3.34Å; E291-I299 WeakPolarHBondContact O-CA 3.42Å; E291-R300 HydrophobicContact CG-CB 4.17Å; E291-R300 PolarHBondContact N-O 2.81Å; E291-R300 PolarHBondContact O-N 2.9Å; E291-R302 HydrophobicContact CB-CB 4.34Å; E291-R302 HydrophobicContact CG-CB 4.15Å; E291-R302 WeakPolarHBondContact OE2-CD 2.86Å
292I94.4Very high82.7Confident33 Ų3375.2 Ų75.217%0.16939%0.385CS..EExtended strand (participates in β ladder)trans-116.2138.3176.7-166.6166.1000111.5V263 L280 A294 E298 I299 V317V263-I292 HydrophobicContact CG2-CD1 4.03Å; L280-I292 HydrophobicContact CD2-CB 3.91Å; L280-I292 HydrophobicContact CD2-CD1 4.16Å; L280-I292 HydrophobicContact CD2-CG2 4.06Å; L280-I292 HydrophobicContact CG-CB 4Å; L280-I292 HydrophobicContact CG-CG2 3.78Å; I292-A294 PolarHBondContact O-N 2.83Å; I292-E298 WeakPolarHBondContact CA-O 3.17Å; I292-I299 HydrophobicContact CB-CG1 4.06Å; I292-I299 HydrophobicContact CD1-CD1 4.03Å; I292-I299 HydrophobicContact CD1-CG1 3.67Å; I292-I299 HydrophobicContact CG1-CG1 3.7Å; I292-V317 HydrophobicContact CD1-CG1 3.52Å
293N95.1Very high83.8Confident67 Ų6775.6 Ų75.636%0.35839%0.385SS..  trans-78.7112.1170.4-172.2-55.3000110.1I295 T296 G297 E298N293-I295 PolarHBondContact O-N 2.9Å; N293-I295 PolarHBondContact OD1-N 2.87Å; N293-T296 WeakPolarHBondContact CB-OG1 3.5Å; N293-T296 VanDerWaalsContact CG-OG1 3.26Å; N293-T296 PolarHBondContact O-N 3.11Å; N293-T296 PolarHBondContact OD1-N 2.85Å; N293-G297 PolarHBondContact O-N 2.85Å; N293-E298 HydrophobicContact CB-CB 4.29Å; N293-E298 PolarHBondContact N-O 3.47Å
294A94.2Very high85.6Confident51 Ų5173.2 Ų73.242%0.42138%0.379SS..THydrogen-bonded Turntrans-61.1-11-17700000115.6S277 Y278 I292S277-A294 VanDerWaalsContact CA-O 3.26Å; S277-A294 WeakPolarHBondContact CA-O 3.48Å; Y278-A294 PolarHBondContact N-O 2.93Å; Y278-A294 VanDerWaalsContact N-O 3.08Å; Y278-A294 WeakPolarHBondContact O-CA 3.2Å; Y278-A294 WeakPolarHBondContact O-CB 3.2Å; I292-A294 PolarHBondContact O-N 2.83Å
295I92.9Very high87.4Confident133 Ų13367 Ų6768%0.68235%0.346SS*.THydrogen-bonded Turntrans-106.9-41.1178.2-57.5175.2000111.6N293N293-I295 PolarHBondContact O-N 2.9Å; N293-I295 PolarHBondContact OD1-N 2.87Å
296T94.5Very high89.2Confident59 Ų5963 Ų6336%0.36232%0.324SS..THydrogen-bonded Turntrans-98.6-13-173.165.60000114.8N293 E298N293-T296 WeakPolarHBondContact CB-OG1 3.5Å; N293-T296 VanDerWaalsContact CG-OG1 3.26Å; N293-T296 PolarHBondContact O-N 3.11Å; N293-T296 PolarHBondContact OD1-N 2.85Å; T296-E298 PolarHBondContact O-N 2.96Å; T296-E298 WeakPolarHBondContact OG1-CG 3.45Å; T296-E298 PolarHBondContact OG1-OE1 2.9Å; T296-E298 VanDerWaalsContact OG1-OE1 3.08Å
297G93.1Very high91.2Very high0 Ų057.1 Ų57.10%029%0.294CS..  trans708.5-174.900000113.8T262 V263 N293 I299T262-G297 WeakPolarHBondContact CA-O 3.48Å; V263-G297 WeakPolarHBondContact CG2-O 3.45Å; V263-G297 PolarHBondContact N-O 3.44Å; N293-G297 PolarHBondContact O-N 2.85Å; G297-I299 PolarHBondContact O-N 3.06Å
298E96.1Very high92.8Very high43 Ų4354 Ų5420%0.20128%0.275CS..EExtended strand (participates in β ladder)trans-70.8122.7173.4-72.9173-126.800110.8L259 T262 I292 N293 T296 R300L259-E298 HydrophobicContact CD1-CB 3.72Å; L259-E298 HydrophobicContact CD1-CG 3.8Å; T262-E298 HydrophobicContact CG2-CG 4.18Å; I292-E298 WeakPolarHBondContact CA-O 3.17Å; N293-E298 HydrophobicContact CB-CB 4.29Å; N293-E298 PolarHBondContact N-O 3.47Å; T296-E298 PolarHBondContact O-N 2.96Å; T296-E298 WeakPolarHBondContact OG1-CG 3.45Å; T296-E298 PolarHBondContact OG1-OE1 2.9Å; T296-E298 VanDerWaalsContact OG1-OE1 3.08Å; E298-R300 IonicContact OE2-CZ 2.93Å; E298-R300 VanDerWaalsContact OE2-CZ 3.27Å; E298-R300 IonicContact OE2-NE 4Å; E298-R300 PolarHBondContact OE2-NE 2.95Å; E298-R300 IonicContact OE2-NH2 3.95Å; E298-R300 PolarHBondContact OE2-NH2 3.18Å
299I94.9Very high93.4Very high1 Ų158.3 Ų58.31%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-98.7124.2172.9-62170.6000108V260 I261 V263 L280 F290 E291 I292 G297 V317 L331V260-I299 HydrophobicContact CB-CG2 4.41Å; V260-I299 WeakPolarHBondContact CB-O 3.33Å; V260-I299 PolarHBondContact N-O 2.77Å; I261-I299 HydrophobicContact CG2-CB 4.23Å; I261-I299 HydrophobicContact CG2-CD1 4.12Å; I261-I299 PolarHBondContact O-N 3.09Å; V263-I299 HydrophobicContact CG1-CD1 4.15Å; V263-I299 HydrophobicContact CG2-CD1 4.32Å; L280-I299 HydrophobicContact CD2-CD1 4.24Å; L280-I299 HydrophobicContact CD2-CG1 4.46Å; F290-I299 HydrophobicContact CB-CG2 4.06Å; F290-I299 HydrophobicContact CG-CG2 4.46Å; E291-I299 CarbonylContact O-C 3.34Å; E291-I299 WeakPolarHBondContact O-CA 3.42Å; I292-I299 HydrophobicContact CB-CG1 4.06Å; I292-I299 HydrophobicContact CD1-CD1 4.03Å; I292-I299 HydrophobicContact CD1-CG1 3.67Å; I292-I299 HydrophobicContact CG1-CG1 3.7Å; G297-I299 PolarHBondContact O-N 3.06Å; I299-V317 HydrophobicContact CD1-CG2 4Å; I299-L331 HydrophobicContact CD1-CD2 3.49Å; I299-L331 VanDerWaalsContact CD1-CD2 3.49Å
300R94.6Very high93.5Very high101 Ų10160.3 Ų60.338%0.38131%0.307SS..EExtended strand (participates in β ladder)trans-125.5156.1-173.8-63.3-174.7177.2-159.60.3111.7S258 L259 F290 E291 E298S258-R300 CarbonylContact O-C 3.58Å; S258-R300 WeakPolarHBondContact O-CA 3.34Å; S258-R300 WeakPolarHBondContact O-CB 3.45Å; L259-R300 HydrophobicContact CD1-CG 4.27Å; F290-R300 WeakPolarHBondContact CA-O 3.37Å; E291-R300 HydrophobicContact CG-CB 4.17Å; E291-R300 PolarHBondContact N-O 2.81Å; E291-R300 PolarHBondContact O-N 2.9Å; E298-R300 IonicContact OE2-CZ 2.93Å; E298-R300 VanDerWaalsContact OE2-CZ 3.27Å; E298-R300 IonicContact OE2-NE 4Å; E298-R300 PolarHBondContact OE2-NE 2.95Å; E298-R300 IonicContact OE2-NH2 3.95Å; E298-R300 PolarHBondContact OE2-NH2 3.18Å
301L94.8Very high93.5Very high1 Ų165.1 Ų65.11%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-80.4125.9179.6-169.167000111.4I250 N254 G257 S258 P289 F290 K303 L305I250-L301 HydrophobicContact CD1-CD2 4.32Å; N254-L301 HydrophobicContact CB-CD2 4.19Å; N254-L301 WeakPolarHBondContact O-CD2 3.43Å; G257-L301 WeakPolarHBondContact CA-O 3.23Å; G257-L301 PolarHBondContact N-O 2.94Å; S258-L301 PolarHBondContact O-N 3.08Å; S258-L301 WeakPolarHBondContact OG-CB 3.36Å; P289-L301 HydrophobicContact CB-CD1 4.21Å; F290-L301 HydrophobicContact CD1-CD1 4.12Å; F290-L301 HydrophobicContact CE1-CD1 3.92Å; L301-K303 WeakPolarHBondContact CD1-O 3.42Å; L301-K303 WeakPolarHBondContact CG-O 3.36Å; L301-L305 HydrophobicContact CD1-CD1 3.97Å; L301-L305 HydrophobicContact CD1-CD2 3.7Å; L301-L305 HydrophobicContact CD1-CG 3.7Å; L301-L305 HydrophobicContact CD2-CG 4.34Å
302R91.8Very high93.6Very high154 Ų15463.5 Ų63.558%0.58133%0.328SS*.  trans-112.6-26.5-176.8-175.9178.6173.7-1500.5113.6P289 E291P289-R302 WeakPolarHBondContact O-CA 3.42Å; P289-R302 WeakPolarHBondContact O-CB 3.29Å; P289-R302 PolarHBondContact O-N 2.71Å; E291-R302 HydrophobicContact CB-CB 4.34Å; E291-R302 HydrophobicContact CG-CB 4.15Å; E291-R302 WeakPolarHBondContact OE2-CD 2.86Å
303K91.5Very high93.4Very high74 Ų7463.7 Ų63.732%0.32233%0.327SS..SBendtrans-124.1159.4171.9-56.8-177.9-174176.90109.6I286 N287 P289 L301I286-K303 PolarHBondContact O-NZ 2.86Å; N287-K303 VanDerWaalsContact C-NZ 3.31Å; N287-K303 VanDerWaalsContact CA-NZ 3.32Å; N287-K303 PolarHBondContact O-NZ 2.88Å; P289-K303 HydrophobicContact CB-CB 3.93Å; P289-K303 PolarHBondContact O-N 2.8Å; L301-K303 WeakPolarHBondContact CD1-O 3.42Å; L301-K303 WeakPolarHBondContact CG-O 3.36Å
304A92.4Very high93.3Very high78 Ų7865.6 Ų65.665%0.64534%0.337SS*.  trans-61.9151.9169.700000109.7
305L93.6Very high93.1Very high13 Ų1363.2 Ų63.27%0.06832%0.318CS..  trans-100.7160.5169.7-56177000108.3I250 E252 P289 F290 L301 Y313 V335I250-L305 HydrophobicContact CD1-CD1 4.39Å; I250-L305 HydrophobicContact CG1-CD1 4.26Å; I250-L305 HydrophobicContact CG2-CD1 3.55Å; E252-L305 HydrophobicContact CB-CB 4.07Å; P289-L305 HydrophobicContact CB-CD2 3.63Å; P289-L305 HydrophobicContact CG-CD2 3.53Å; F290-L305 HydrophobicContact CE1-CD2 4.49Å; F290-L305 HydrophobicContact CZ-CD2 4.42Å; L301-L305 HydrophobicContact CD1-CD1 3.97Å; L301-L305 HydrophobicContact CD1-CD2 3.7Å; L301-L305 HydrophobicContact CD1-CG 3.7Å; L301-L305 HydrophobicContact CD2-CG 4.34Å; L305-Y313 HydrophobicContact CD2-CE2 3.86Å; L305-V335 HydrophobicContact CB-CG1 4.35Å; L305-V335 HydrophobicContact CD1-CG1 4.45Å; L305-V335 HydrophobicContact CD1-CG2 4.24Å
306D93.6Very high93Very high72 Ų7259.5 Ų59.539%0.38530%0.299SS..  trans-147.8111.7-178.8178.3-39.6000104.6E308 E309 V310D306-E308 PolarHBondContact OD1-N 2.82Å; D306-E309 HydrophobicContact CB-CB 4.01Å; D306-E309 PolarHBondContact O-N 2.94Å; D306-E309 WeakPolarHBondContact OD1-CB 3.28Å; D306-E309 PolarHBondContact OD1-N 2.9Å; D306-V310 PolarHBondContact O-N 3Å
307F94.6Very high93Very high23 Ų2356.7 Ų56.710%0.10128%0.282CS..THydrogen-bonded Turntrans-71.1-35.6-175.2178.6-89.4000110.9E252 E309 Q311 V335 D337E252-F307 WeakPolarHBondContact OE1-CB 3.43Å; E252-F307 WeakPolarHBondContact OE2-CB 3.32Å; E252-F307 PolarHBondContact OE2-N 2.92Å; F307-E309 VanDerWaalsContact C-N 3.31Å; F307-E309 PolarHBondContact O-N 3.41Å; F307-Q311 HydrophobicContact CD1-CG 4.22Å; F307-Q311 HydrophobicContact CD2-CB 4.37Å; F307-Q311 HydrophobicContact CD2-CG 4.08Å; F307-Q311 HydrophobicContact CE1-CG 3.93Å; F307-Q311 HydrophobicContact CE2-CB 4.02Å; F307-Q311 HydrophobicContact CE2-CG 3.78Å; F307-Q311 HydrophobicContact CG-CG 4.29Å; F307-Q311 HydrophobicContact CZ-CB 4.35Å; F307-Q311 HydrophobicContact CZ-CG 3.7Å; F307-Q311 WeakPolarHBondContact O-CG 3.5Å; F307-V335 HydrophobicContact CB-CG1 4.06Å; F307-V335 HydrophobicContact CD2-CB 4Å; F307-V335 HydrophobicContact CD2-CG1 4.04Å; F307-V335 WeakPolarHBondContact CE2-O 3.39Å; F307-D337 HydrophobicContact CD1-CB 3.85Å; F307-D337 HydrophobicContact CD2-CB 4.04Å; F307-D337 HydrophobicContact CE1-CB 3.9Å; F307-D337 HydrophobicContact CE2-CB 4.09Å; F307-D337 HydrophobicContact CG-CB 3.93Å; F307-D337 HydrophobicContact CZ-CB 4.02Å
308E94.3Very high93Very high64 Ų6458.3 Ų58.330%0.29929%0.289SS..THydrogen-bonded Turntrans-65.1-32.1175.3-73.159-123.600112D306 A371D306-E308 PolarHBondContact OD1-N 2.82Å; E308-A371 HydrophobicContact CG-CB 4.09Å
309E91.7Very high93Very high154 Ų15456.2 Ų56.272%0.7228%0.28SS*.THydrogen-bonded Turntrans-80.4-53.3172.7-161.2-173.6-170.900112.3D306 F307D306-E309 HydrophobicContact CB-CB 4.01Å; D306-E309 PolarHBondContact O-N 2.94Å; D306-E309 WeakPolarHBondContact OD1-CB 3.28Å; D306-E309 PolarHBondContact OD1-N 2.9Å; F307-E309 VanDerWaalsContact C-N 3.31Å; F307-E309 PolarHBondContact O-N 3.41Å
310V90.9Very high93Very high45 Ų4557.8 Ų57.827%0.27329%0.29SS..  trans-145.2103.4-174.2-172.50000113.4D306 S312 Y313 V335D306-V310 PolarHBondContact O-N 3Å; V310-S312 WeakPolarHBondContact CG1-O 3.3Å; V310-S312 PolarHBondContact O-N 3.02Å; V310-Y313 HydrophobicContact CB-CE1 4.16Å; V310-Y313 HydrophobicContact CB-CE2 4.26Å; V310-Y313 HydrophobicContact CG1-CD1 4.08Å; V310-Y313 HydrophobicContact CG1-CD2 4.34Å; V310-Y313 HydrophobicContact CG1-CE1 3.68Å; V310-Y313 HydrophobicContact CG1-CE2 3.96Å; V310-Y313 HydrophobicContact CG1-CG 4.4Å; V310-Y313 HydrophobicContact CG2-CE1 4.5Å; V310-V335 VanDerWaalsContact O-CG2 3.3Å; V310-V335 WeakPolarHBondContact O-CG2 3.5Å
311Q92.7Very high93Very high110 Ų11053.4 Ų53.451%0.51427%0.274SS..SBendtrans-73.6-21.7-178.6-60.1-179.6-4.100115.2F307 V335F307-Q311 HydrophobicContact CD1-CG 4.22Å; F307-Q311 HydrophobicContact CD2-CB 4.37Å; F307-Q311 HydrophobicContact CD2-CG 4.08Å; F307-Q311 HydrophobicContact CE1-CG 3.93Å; F307-Q311 HydrophobicContact CE2-CB 4.02Å; F307-Q311 HydrophobicContact CE2-CG 3.78Å; F307-Q311 HydrophobicContact CG-CG 4.29Å; F307-Q311 HydrophobicContact CZ-CB 4.35Å; F307-Q311 HydrophobicContact CZ-CG 3.7Å; F307-Q311 WeakPolarHBondContact O-CG 3.5Å; Q311-V335 PolarHBondContact O-N 3.04Å
312S93.5Very high92.7Very high58 Ų5855.9 Ų55.941%0.40630%0.299SS..EExtended strand (participates in β ladder)trans-154.3141.4-179.260.60000113.4V310 V333V310-S312 WeakPolarHBondContact CG1-O 3.3Å; V310-S312 PolarHBondContact O-N 3.02Å; S312-V333 CarbonylContact C-O 3.48Å; S312-V333 VanDerWaalsContact CA-O 3.31Å; S312-V333 WeakPolarHBondContact CA-O 3.47Å
313Y91.6Very high92.6Very high36 Ų3650.8 Ų50.814%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-118.7125.9175.3-60-91.8000110.9P289 F290 L305 V310 V333 V335P289-Y313 HydrophobicContact CG-CD1 4.38Å; P289-Y313 HydrophobicContact CG-CE1 3.92Å; P289-Y313 HydrophobicContact CG-CE2 4.15Å; F290-Y313 HydrophobicContact CE2-CD1 4.3Å; F290-Y313 AromaticContact CE2-CD2 3.89Å; F290-Y313 HydrophobicContact CE2-CD2 3.89Å; F290-Y313 AromaticContact CE2-CG 3.72Å; F290-Y313 HydrophobicContact CE2-CG 3.72Å; F290-Y313 AromaticContact CZ-CD2 3.85Å; F290-Y313 HydrophobicContact CZ-CD2 3.85Å; F290-Y313 HydrophobicContact CZ-CE2 4.37Å; F290-Y313 HydrophobicContact CZ-CG 4.17Å; L305-Y313 HydrophobicContact CD2-CE2 3.86Å; V310-Y313 HydrophobicContact CB-CE1 4.16Å; V310-Y313 HydrophobicContact CB-CE2 4.26Å; V310-Y313 HydrophobicContact CG1-CD1 4.08Å; V310-Y313 HydrophobicContact CG1-CD2 4.34Å; V310-Y313 HydrophobicContact CG1-CE1 3.68Å; V310-Y313 HydrophobicContact CG1-CE2 3.96Å; V310-Y313 HydrophobicContact CG1-CG 4.4Å; V310-Y313 HydrophobicContact CG2-CE1 4.5Å; Y313-V333 PolarHBondContact N-O 3.22Å; Y313-V333 PolarHBondContact O-N 3.43Å; Y313-V335 HydrophobicContact CD2-CG2 4.17Å; Y313-V335 HydrophobicContact CE2-CG2 3.82Å
314D91.4Very high92.5Very high107 Ų10749.7 Ų49.757%0.57231%0.305SS*.EExtended strand (participates in β ladder)trans-97.4111.7170.9-57.9-40.9000108.7Q282Q282-D314 PolarHBondContact NE2-O 3.22Å; Q282-D314 PolarHBondContact OE1-O 3.37Å
315V89.9Confident92.5Very high2 Ų249.3 Ų49.31%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-121.9119.5-173.2-174.30000109.5L280 F290 L331L280-V315 HydrophobicContact CB-CG1 4.48Å; L280-V315 HydrophobicContact CD1-CG1 4.38Å; L280-V315 HydrophobicContact CD2-CG1 3.92Å; L280-V315 HydrophobicContact CG-CG1 4.47Å; F290-V315 HydrophobicContact CD2-CG2 3.95Å; F290-V315 HydrophobicContact CE2-CG2 4.15Å; V315-L331 HydrophobicContact CB-CB 4.49Å; V315-L331 PolarHBondContact N-O 3.48Å; V315-L331 WeakPolarHBondContact O-CB 3.48Å; V315-L331 PolarHBondContact O-N 2.96Å
316D91.5Very high92.5Very high54 Ų5450.9 Ų50.929%0.28930%0.303SS..EExtended strand (participates in β ladder)trans-82.9139.1170.8-61.9-55.9000110.4F281 Q282 S330F281-D316 HydrophobicContact CB-CB 4.4Å; F281-D316 HydrophobicContact CD1-CB 4.42Å; F281-D316 PolarHBondContact N-O 2.75Å; Q282-D316 VanDerWaalsContact NE2-N 3.2Å; Q282-D316 PolarHBondContact NE2-OD2 2.78Å; D316-S330 WeakPolarHBondContact OD1-CB 3.31Å; D316-S330 PolarHBondContact OD1-OG 3.12Å
317V93.5Very high92.5Very high0 Ų047.9 Ų47.90%029%0.289CS..EExtended strand (participates in β ladder)trans-118.3132178.4-166.70000108.9F241 V263 A279 L280 I292 I299 K328 C329 L331F241-V317 HydrophobicContact CZ-CB 4.33Å; F241-V317 HydrophobicContact CZ-CG1 4.15Å; V263-V317 HydrophobicContact CG2-CG1 4.14Å; A279-V317 WeakPolarHBondContact O-CG1 3.44Å; L280-V317 HydrophobicContact CD2-CG1 4.4Å; L280-V317 HydrophobicContact CD2-CG2 4.01Å; I292-V317 HydrophobicContact CD1-CG1 3.52Å; I299-V317 HydrophobicContact CD1-CG2 4Å; V317-K328 VanDerWaalsContact O-CA 3.29Å; V317-K328 WeakPolarHBondContact O-CA 3.29Å; V317-C329 PolarHBondContact N-O 2.87Å; V317-C329 PolarHBondContact O-N 2.89Å; V317-L331 HydrophobicContact CG2-CB 4.38Å
318E94.3Very high92.5Very high34 Ų3451.5 Ų51.516%0.15931%0.305CS..EExtended strand (participates in β ladder)trans-108.9134.9176.8-178.6169.7-119.400109.9Y278 A279 F281 S326 G327 K328Y278-E318 WeakPolarHBondContact CA-O 3.43Å; A279-E318 PolarHBondContact N-O 2.97Å; A279-E318 PolarHBondContact O-N 2.88Å; F281-E318 HydrophobicContact CB-CB 3.75Å; F281-E318 HydrophobicContact CD2-CB 4.24Å; F281-E318 VanDerWaalsContact CD2-OE2 3.28Å; F281-E318 WeakPolarHBondContact CD2-OE2 3.2Å; F281-E318 HydrophobicContact CG-CB 4.23Å; E318-S326 WeakPolarHBondContact OE1-CB 3.41Å; E318-S326 PolarHBondContact OE1-OG 2.74Å; E318-G327 WeakPolarHBondContact CA-O 3.45Å; E318-K328 HydrophobicContact CB-CG 4.38Å; E318-K328 HydrophobicContact CG-CG 4.42Å; E318-K328 WeakPolarHBondContact OE1-CE 3.36Å; E318-K328 IonicContact OE1-NZ 3.48Å; E318-K328 PolarHBondContact OE1-NZ 2.91Å
319A95.6Very high92.5Very high0 Ų048.6 Ų48.60%029%0.292CS..EExtended strand (participates in β ladder)trans-113.5116.617200000107.8P239 F241 A265 V276 S277 Y278 S326 G327P239-A319 HydrophobicContact CB-CB 3.81Å; F241-A319 HydrophobicContact CD2-CB 4.39Å; F241-A319 HydrophobicContact CE1-CB 4.16Å; F241-A319 HydrophobicContact CE2-CB 3.52Å; F241-A319 HydrophobicContact CZ-CB 3.39Å; A265-A319 HydrophobicContact CB-CB 3.53Å; V276-A319 HydrophobicContact CG1-CB 3.66Å; S277-A319 CarbonylContact O-C 3.55Å; S277-A319 WeakPolarHBondContact O-CA 3.41Å; Y278-A319 HydrophobicContact CD1-CB 4.04Å; Y278-A319 HydrophobicContact CE1-CB 4.08Å; A319-S326 CarbonylContact O-C 3.48Å; A319-S326 WeakPolarHBondContact O-CA 3.44Å; A319-G327 PolarHBondContact N-O 2.86Å; A319-G327 PolarHBondContact O-N 3.07Å
320T95Very high92.5Very high34 Ų3443.7 Ų43.721%0.20927%0.274CS..EExtended strand (participates in β ladder)trans-115.8130.5-177.2-48.10000110V276 S277 L325V276-T320 CarbonylContact C-O 3.59Å; S277-T320 PolarHBondContact N-O 2.96Å; S277-T320 PolarHBondContact O-N 2.96Å; S277-T320 PolarHBondContact OG-O 3.41Å; T320-L325 WeakPolarHBondContact CA-O 3.44Å; T320-L325 WeakPolarHBondContact CG2-O 3.48Å
321D94.8Very high92.7Very high9 Ų941.6 Ų41.65%0.04826%0.262CS..  trans-74-174.3175.16532.7000113N235 P239 F273 G323 G324 L325N235-D321 PolarHBondContact ND2-OD2 2.84Å; N235-D321 PolarHBondContact OD1-OD2 3.07Å; P239-D321 HydrophobicContact CG-CB 3.87Å; F273-D321 VanDerWaalsContact O-CB 3.3Å; F273-D321 WeakPolarHBondContact O-CB 3.44Å; D321-G323 WeakPolarHBondContact OD1-CA 3.37Å; D321-G323 PolarHBondContact OD1-N 2.88Å; D321-G324 PolarHBondContact OD1-N 2.9Å; D321-L325 PolarHBondContact N-O 2.68Å; D321-L325 PolarHBondContact OD1-N 3.2Å; D321-L325 VanDerWaalsContact OD2-CB 3.23Å; D321-L325 WeakPolarHBondContact OD2-CB 3.39Å; D321-L325 PolarHBondContact OD2-N 2.87Å
322G89.3Confident92.7Very high52 Ų5237.4 Ų37.454%0.53624%0.243SC..SBendtrans-82-7.6174.900000115.8S272 K275S272-G322 VanDerWaalsContact O-CA 3.26Å; S272-G322 WeakPolarHBondContact O-CA 3.46Å; S272-G322 PolarHBondContact O-N 2.67Å; K275-G322 PolarHBondContact O-N 2.93Å
323G88.3Confident92.8Very high47 Ų4734.6 Ų34.649%0.48522%0.224SC..SBendtrans-97.2-16.6175.900000114.5N235 D321N235-G323 VanDerWaalsContact OD1-CA 3.24Å; N235-G323 WeakPolarHBondContact OD1-CA 3.35Å; N235-G323 PolarHBondContact OD1-N 3.02Å; D321-G323 WeakPolarHBondContact OD1-CA 3.37Å; D321-G323 PolarHBondContact OD1-N 2.88Å
324G90.2Very high93Very high52 Ų5238 Ų3854%0.53624%0.236SC..SBendtrans102.411.7-178.800000116.1D321D321-G324 PolarHBondContact OD1-N 2.9Å
325L92.8Very high93.1Very high70 Ų7033.1 Ų33.137%0.36621%0.211SC..  trans-86149.3168.3-51178.8000110.3N235 N237 I238 T320 D321N235-L325 WeakPolarHBondContact ND2-CD1 3.46Å; N235-L325 WeakPolarHBondContact ND2-CG 3.44Å; N235-L325 WeakPolarHBondContact O-CD1 3.4Å; N237-L325 WeakPolarHBondContact O-CD1 3.21Å; I238-L325 HydrophobicContact CB-CB 4.45Å; I238-L325 HydrophobicContact CG2-CB 3.8Å; I238-L325 HydrophobicContact CG2-CD1 3.86Å; I238-L325 HydrophobicContact CG2-CG 4.41Å; T320-L325 WeakPolarHBondContact CA-O 3.44Å; T320-L325 WeakPolarHBondContact CG2-O 3.48Å; D321-L325 PolarHBondContact N-O 2.68Å; D321-L325 PolarHBondContact OD1-N 3.2Å; D321-L325 VanDerWaalsContact OD2-CB 3.23Å; D321-L325 WeakPolarHBondContact OD2-CB 3.39Å; D321-L325 PolarHBondContact OD2-N 2.87Å
326S93.9Very high93.3Very high45 Ų4536.3 Ų36.332%0.31523%0.227SC..EExtended strand (participates in β ladder)trans-138.9135.2-173.6690000114E318 A319E318-S326 WeakPolarHBondContact OE1-CB 3.41Å; E318-S326 PolarHBondContact OE1-OG 2.74Å; A319-S326 CarbonylContact O-C 3.48Å; A319-S326 WeakPolarHBondContact O-CA 3.44Å
327G93.5Very high93.5Very high9 Ų935.5 Ų35.59%0.09322%0.223CC..EExtended strand (participates in β ladder)trans-101.8163166.600000111.5P239 E318 A319P239-G327 WeakPolarHBondContact O-CA 3.38Å; E318-G327 WeakPolarHBondContact CA-O 3.45Å; A319-G327 PolarHBondContact N-O 2.86Å; A319-G327 PolarHBondContact O-N 3.07Å
328K93.3Very high93.6Very high99 Ų9937.1 Ų37.143%0.4323%0.233SC..EExtended strand (participates in β ladder)trans-137.7147.4-178.2-59.6-171.1-175.2-159.60112.1F281 V317 E318F281-K328 HydrophobicContact CD1-CD 4.13Å; F281-K328 VanDerWaalsContact CD2-NZ 3.3Å; F281-K328 HydrophobicContact CE1-CD 4.4Å; F281-K328 HydrophobicContact CG-CD 4.43Å; V317-K328 VanDerWaalsContact O-CA 3.29Å; V317-K328 WeakPolarHBondContact O-CA 3.29Å; E318-K328 HydrophobicContact CB-CG 4.38Å; E318-K328 HydrophobicContact CG-CG 4.42Å; E318-K328 WeakPolarHBondContact OE1-CE 3.36Å; E318-K328 IonicContact OE1-NZ 3.48Å; E318-K328 PolarHBondContact OE1-NZ 2.91Å
329C94.1Very high93.6Very high4 Ų436 Ų363%0.02723%0.228CC..EExtended strand (participates in β ladder)trans-138.5155.5166.2660000109.6F241 Q243 E244 Y246 V317F241-C329 HydrophobicContact CB-CB 4Å; F241-C329 HydrophobicContact CD1-CB 4.27Å; F241-C329 VanDerWaalsContact CD1-SG 3.51Å; F241-C329 HydrophobicContact CD2-CB 3.8Å; F241-C329 VanDerWaalsContact CE1-SG 3.56Å; F241-C329 HydrophobicContact CE2-CB 4.29Å; F241-C329 HydrophobicContact CG-CB 3.77Å; Q243-C329 WeakPolarHBondContact O-CB 3.33Å; E244-C329 WeakPolarHBondContact O-CA 3.19Å; E244-C329 WeakPolarHBondContact O-CB 3.3Å; Y246-C329 HydrophobicContact CD2-CB 4.23Å; Y246-C329 HydrophobicContact CE2-CB 4.07Å; V317-C329 PolarHBondContact N-O 2.87Å; V317-C329 PolarHBondContact O-N 2.89Å
330S93.6Very high93.5Very high50 Ų5040.4 Ų40.435%0.3525%0.251SS..EExtended strand (participates in β ladder)trans-97.9144.4173.3-57.10000110.6E244 L245 Y246 D316E244-S330 PolarHBondContact O-N 2.82Å; L245-S330 WeakPolarHBondContact CA-O 3.1Å; Y246-S330 PolarHBondContact N-O 3.06Å; D316-S330 WeakPolarHBondContact OD1-CB 3.31Å; D316-S330 PolarHBondContact OD1-OG 3.12Å
331L93.4Very high93.4Very high1 Ų141.2 Ų41.21%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-122.5123.1176.6166.764.4000109.1Y246 A248 I261 I299 V315 V317 V333Y246-L331 WeakPolarHBondContact O-CA 3.39Å; A248-L331 HydrophobicContact CB-CD1 4.19Å; I261-L331 HydrophobicContact CD1-CD1 4.38Å; I261-L331 HydrophobicContact CG2-CD1 3.94Å; I261-L331 HydrophobicContact CG2-CD2 3.85Å; I299-L331 HydrophobicContact CD1-CD2 3.49Å; I299-L331 VanDerWaalsContact CD1-CD2 3.49Å; V315-L331 HydrophobicContact CB-CB 4.49Å; V315-L331 PolarHBondContact N-O 3.48Å; V315-L331 WeakPolarHBondContact O-CB 3.48Å; V315-L331 PolarHBondContact O-N 2.96Å; V317-L331 HydrophobicContact CG2-CB 4.38Å; L331-V333 HydrophobicContact CD1-CG2 4.17Å; L331-V333 HydrophobicContact CD2-CG2 3.86Å; L331-V333 HydrophobicContact CG-CG2 3.78Å
332V94.1Very high93.4Very high22 Ų2243.2 Ų43.213%0.13327%0.272CS..EExtended strand (participates in β ladder)trans-102.2110.9171.9-179.90000108.4L245 Y246 E247 A248 R334L245-V332 HydrophobicContact CD1-CG2 3.77Å; Y246-V332 PolarHBondContact O-N 3.47Å; E247-V332 WeakPolarHBondContact CA-O 3.46Å; E247-V332 HydrophobicContact CG-CB 4.43Å; A248-V332 PolarHBondContact N-O 2.93Å; V332-R334 HydrophobicContact CG1-CG 4.24Å
333V94.3Very high93.7Very high0 Ų040.7 Ų40.70%025%0.247CC..EExtended strand (participates in β ladder)trans-97.5112.8173.1-171.50000108.5A248 I250 V260 F290 S312 Y313 L331A248-V333 HydrophobicContact CB-CG2 4.49Å; I250-V333 HydrophobicContact CG2-CG1 3.54Å; V260-V333 HydrophobicContact CG1-CG1 3.9Å; V260-V333 HydrophobicContact CG1-CG2 4.12Å; F290-V333 HydrophobicContact CE1-CG1 4.16Å; F290-V333 HydrophobicContact CE1-CG2 4.47Å; F290-V333 HydrophobicContact CE2-CB 4.29Å; F290-V333 HydrophobicContact CE2-CG2 4.11Å; F290-V333 HydrophobicContact CZ-CB 3.88Å; F290-V333 HydrophobicContact CZ-CG1 3.74Å; F290-V333 HydrophobicContact CZ-CG2 3.94Å; S312-V333 CarbonylContact C-O 3.48Å; S312-V333 VanDerWaalsContact CA-O 3.31Å; S312-V333 WeakPolarHBondContact CA-O 3.47Å; Y313-V333 PolarHBondContact N-O 3.22Å; Y313-V333 PolarHBondContact O-N 3.43Å; L331-V333 HydrophobicContact CD1-CG2 4.17Å; L331-V333 HydrophobicContact CD2-CG2 3.86Å; L331-V333 HydrophobicContact CG-CG2 3.78Å
334R95.4Very high94Very high106 Ų10644.4 Ų44.440%0.425%0.251SS..EExtended strand (participates in β ladder)trans-91.5124.6173.6-58.2177.5-173.3-82-4.5108.8E247 A248 Q249 I250 V332E247-R334 IonicContact OE1-CZ 3.33Å; E247-R334 IonicContact OE1-NE 3.51Å; E247-R334 IonicContact OE1-NH2 3.36Å; E247-R334 PolarHBondContact OE1-NH2 2.72Å; E247-R334 IonicContact OE2-NE 3.78Å; A248-R334 PolarHBondContact O-N 2.72Å; Q249-R334 WeakPolarHBondContact CA-O 3.06Å; Q249-R334 HydrophobicContact CG-CB 4.32Å; I250-R334 PolarHBondContact N-O 2.86Å; I250-R334 VanDerWaalsContact N-O 3.07Å; V332-R334 HydrophobicContact CG1-CG 4.24Å
335V95.2Very high94.2Very high6 Ų643.1 Ų43.14%0.03623%0.232CC..EExtended strand (participates in β ladder)trans-76.7140171.9-170.90000108.1I250 E252 L305 F307 V310 Q311 Y313I250-V335 CarbonylContact O-C 3.57Å; I250-V335 WeakPolarHBondContact O-CA 3.26Å; E252-V335 HydrophobicContact CB-CG1 3.7Å; L305-V335 HydrophobicContact CB-CG1 4.35Å; L305-V335 HydrophobicContact CD1-CG1 4.45Å; L305-V335 HydrophobicContact CD1-CG2 4.24Å; F307-V335 HydrophobicContact CB-CG1 4.06Å; F307-V335 HydrophobicContact CD2-CB 4Å; F307-V335 HydrophobicContact CD2-CG1 4.04Å; F307-V335 WeakPolarHBondContact CE2-O 3.39Å; V310-V335 VanDerWaalsContact O-CG2 3.3Å; V310-V335 WeakPolarHBondContact O-CG2 3.5Å; Q311-V335 PolarHBondContact O-N 3.04Å; Y313-V335 HydrophobicContact CD2-CG2 4.17Å; Y313-V335 HydrophobicContact CE2-CG2 3.82Å
336L94.3Very high94.2Very high68 Ų6842.8 Ų42.836%0.35623%0.233SC..EExtended strand (participates in β ladder)trans-105.2119.6172.3-58.3179000108.9Q249 I250 P251 E252Q249-L336 HydrophobicContact CB-CD1 4.07Å; Q249-L336 HydrophobicContact CB-CD2 4.35Å; Q249-L336 HydrophobicContact CB-CG 4.2Å; Q249-L336 HydrophobicContact CG-CD2 4.45Å; I250-L336 PolarHBondContact O-N 2.83Å; P251-L336 WeakPolarHBondContact CA-O 3.14Å; E252-L336 PolarHBondContact N-O 3.22Å
337D94.8Very high94.2Very high37 Ų3743.7 Ų43.720%0.19823%0.233CC..  trans-47.6126.9168.4169.2-1.7000111.7E252 F307 S373 N376E252-D337 VanDerWaalsContact OE1-CA 3.29Å; E252-D337 WeakPolarHBondContact OE1-CA 3.23Å; F307-D337 HydrophobicContact CD1-CB 3.85Å; F307-D337 HydrophobicContact CD2-CB 4.04Å; F307-D337 HydrophobicContact CE1-CB 3.9Å; F307-D337 HydrophobicContact CE2-CB 4.09Å; F307-D337 HydrophobicContact CG-CB 3.93Å; F307-D337 HydrophobicContact CZ-CB 4.02Å; D337-S373 VanDerWaalsContact OD2-C 3.25Å; D337-S373 WeakPolarHBondContact OD2-CA 3.47Å; D337-S373 WeakPolarHBondContact OD2-CB 3.18Å; D337-S373 PolarHBondContact OD2-N 2.69Å; D337-S373 VanDerWaalsContact OD2-O 3.06Å; D337-N376 PolarHBondContact OD1-ND2 2.69Å
338V94.7Very high94.2Very high35 Ų3546.9 Ų46.921%0.21225%0.254CS..  trans-126.1125.1171.4178.20000109.2P251 E252 N253 D340P251-V338 HydrophobicContact CB-CG2 3.82Å; E252-V338 HydrophobicContact CG-CB 4.3Å; E252-V338 HydrophobicContact CG-CG2 4.47Å; E252-V338 PolarHBondContact OE1-N 2.77Å; N253-V338 WeakPolarHBondContact ND2-CG1 3.29Å; V338-D340 PolarHBondContact O-N 2.81Å
339N94.9Very high94.2Very high9 Ų947 Ų475%0.04825%0.254CS..SBendtrans-56.288-177.9-164.2120.7000113.9D372 N376 D423 G425 L429N339-D372 WeakPolarHBondContact CA-OD2 3.38Å; N339-D372 PolarHBondContact OD1-OD2 3.13Å; N339-N376 HydrophobicContact CB-CB 3.85Å; N339-N376 PolarHBondContact N-ND2 3.22Å; N339-N376 VanDerWaalsContact OD1-CA 3.31Å; N339-N376 WeakPolarHBondContact OD1-CA 3.33Å; N339-N376 VanDerWaalsContact OD1-CB 3.28Å; N339-N376 WeakPolarHBondContact OD1-CB 3.46Å; N339-D423 PolarHBondContact ND2-OD2 2.83Å; N339-D423 PolarHBondContact OD1-OD2 2.91Å; N339-G425 WeakPolarHBondContact OD1-CA 3.33Å; N339-G425 PolarHBondContact OD1-N 3.48Å; N339-L429 WeakPolarHBondContact ND2-CD1 3.18Å; N339-L429 WeakPolarHBondContact ND2-CG 3.41Å
340D93.8Very high94.2Very high93 Ų9350.7 Ų50.750%0.49727%0.27SS..  trans-124.3-15.4-178.188.2-15.9000113.5V338V338-D340 PolarHBondContact O-N 2.81Å
341N93.7Very high94.2Very high52 Ų5251.7 Ų51.728%0.27827%0.271SS..SBendtrans-82.3141.3164.1-57.9-83.4000110.4A371 D372 L429N341-A371 HydrophobicContact CB-CB 3.95Å; N341-D372 WeakPolarHBondContact CB-OD1 3.17Å; N341-D372 PolarHBondContact N-OD1 2.91Å; N341-D372 VanDerWaalsContact N-OD1 3.13Å; N341-D372 PolarHBondContact ND2-OD1 3.48Å; N341-L429 WeakPolarHBondContact O-CD1 3.23Å
342A94.3Very high94.2Very high50 Ų5053.7 Ų53.741%0.41329%0.285SS..PPolyproline II helixtrans-100.8143.3174.100000109.6E344 L429A342-E344 PolarHBondContact O-N 2.75Å; A342-L429 HydrophobicContact CB-CB 3.98Å; A342-L429 HydrophobicContact CB-CD1 4.4Å
343P95.7Very high94.2Very high0 Ų056.1 Ų56.10%030%0.301CS..PPolyproline II helixtrans-53124.4-178.1-2323000113.2V368 D370 V379 V421 D423 T431P343-V368 HydrophobicContact CB-CG1 4.17Å; P343-D370 WeakPolarHBondContact CA-OD2 3.44Å; P343-D370 WeakPolarHBondContact CD-OD2 3.18Å; P343-D370 WeakPolarHBondContact CG-OD2 3.49Å; P343-V379 HydrophobicContact CB-CG1 3.92Å; P343-V379 HydrophobicContact CG-CG1 3.94Å; P343-V421 HydrophobicContact CB-CB 4.24Å; P343-V421 HydrophobicContact CB-CG1 3.42Å; P343-V421 VanDerWaalsContact CB-CG1 3.42Å; P343-V421 HydrophobicContact CG-CG1 3.95Å; P343-D423 HydrophobicContact CG-CB 3.97Å; P343-T431 WeakPolarHBondContact O-CB 3.2Å; P343-T431 PolarHBondContact O-OG1 2.74Å
344E93.9Very high94.2Very high124 Ų12456.1 Ų56.158%0.57930%0.301SS*.EExtended strand (participates in β ladder)trans-87.4135.5174.4-172.3172.3-158.300110.9A342 V368 S369A342-E344 PolarHBondContact O-N 2.75Å; E344-V368 WeakPolarHBondContact O-CA 3.28Å; E344-S369 PolarHBondContact N-O 2.78Å; E344-S369 PolarHBondContact O-N 2.96Å
345L94.4Very high94.1Very high26 Ų2653 Ų5314%0.13630%0.295CS..EExtended strand (participates in β ladder)trans-109.8115.7175.8-175.7156.4000109.9M347 F366 I419 V421 Q433L345-M347 HydrophobicContact CD2-CE 4.17Å; L345-F366 HydrophobicContact CD1-CD2 3.76Å; L345-F366 HydrophobicContact CD1-CE2 3.81Å; L345-F366 HydrophobicContact CD1-CG 4.48Å; L345-F366 HydrophobicContact CD2-CB 4.19Å; L345-F366 HydrophobicContact CD2-CD2 4.26Å; L345-F366 HydrophobicContact CD2-CG 4.38Å; L345-F366 HydrophobicContact CG-CD2 3.77Å; L345-F366 HydrophobicContact CG-CE2 4.32Å; L345-F366 HydrophobicContact CG-CG 4.37Å; L345-I419 HydrophobicContact CD1-CB 4.09Å; L345-I419 HydrophobicContact CD1-CD1 4.5Å; L345-I419 HydrophobicContact CD1-CG2 3.55Å; L345-V421 HydrophobicContact CD1-CG2 3.9Å; L345-Q433 HydrophobicContact CD1-CB 4.32Å; L345-Q433 HydrophobicContact CD2-CB 4.32Å; L345-Q433 HydrophobicContact CD2-CG 4.33Å
346T93.8Very high94Very high62 Ų6252.9 Ų52.938%0.3829%0.294SS..EExtended strand (participates in β ladder)trans-106.7111.1177.3-66.30000111S348 F366 S367T346-S348 PolarHBondContact O-N 3.23Å; T346-F366 VanDerWaalsContact O-CA 3.27Å; T346-F366 WeakPolarHBondContact O-CA 3.35Å; T346-F366 WeakPolarHBondContact O-CB 3.31Å; T346-S367 PolarHBondContact N-O 3.01Å; T346-S367 PolarHBondContact O-N 3.3Å
347M93.9Very high93.6Very high65 Ų6553.2 Ų53.232%0.3230%0.296SS..EExtended strand (participates in β ladder)trans-75.5110.9177.5-166.270.266.600110.6L345 F350 A364 F366 I419 I435L345-M347 HydrophobicContact CD2-CE 4.17Å; M347-F350 HydrophobicContact CG-CB 4.3Å; M347-A364 HydrophobicContact SD-CB 3.94Å; M347-F366 HydrophobicContact SD-CB 3.96Å; M347-F366 HydrophobicContact SD-CD1 4.45Å; M347-I419 HydrophobicContact CE-CD1 4.11Å; M347-I435 HydrophobicContact CE-CG2 3.82Å
348S92.1Very high93.2Very high76 Ų7655.8 Ų55.853%0.53131%0.309SS..EExtended strand (participates in β ladder)trans-90.1-34.5-178.6-65.30000113T346 V365T346-S348 PolarHBondContact O-N 3.23Å; S348-V365 WeakPolarHBondContact CA-O 3.09Å; S348-V365 WeakPolarHBondContact CB-O 3.46Å; S348-V365 PolarHBondContact N-O 3.48Å
349F93.4Very high92.8Very high100 Ų10057.7 Ų57.744%0.43932%0.322SS..EExtended strand (participates in β ladder)trans-147.8142.4178.5176.9-98000110.2I351 A364 V365F349-I351 HydrophobicContact CE1-CB 4.01Å; F349-I351 HydrophobicContact CE1-CG2 3.85Å; F349-I351 HydrophobicContact CZ-CB 3.9Å; F349-I351 HydrophobicContact CZ-CG2 4.17Å; F349-A364 CarbonylContact O-C 3.54Å; F349-A364 VanDerWaalsContact O-CA 3.26Å; F349-A364 WeakPolarHBondContact O-CA 3.29Å; F349-V365 HydrophobicContact CB-CB 4.07Å; F349-V365 HydrophobicContact CB-CG2 4.23Å; F349-V365 HydrophobicContact CD1-CG2 4.28Å; F349-V365 PolarHBondContact N-O 2.91Å; F349-V365 PolarHBondContact O-N 2.77Å
350F94.8Very high92.5Very high82 Ų8262.7 Ų62.736%0.3635%0.345SS..EExtended strand (participates in β ladder)trans-150.8133.1174.4175.1-115000109.4M347 V363 A364 I435 V437M347-F350 HydrophobicContact CG-CB 4.3Å; F350-V363 WeakPolarHBondContact CA-O 3.2Å; F350-V363 HydrophobicContact CE2-CG1 4.35Å; F350-A364 HydrophobicContact CD2-CB 4.19Å; F350-I435 HydrophobicContact CD2-CD1 4.3Å; F350-I435 HydrophobicContact CE2-CB 4.23Å; F350-I435 HydrophobicContact CE2-CD1 3.98Å; F350-I435 HydrophobicContact CE2-CG1 4.49Å; F350-I435 HydrophobicContact CZ-CB 4.47Å; F350-V437 HydrophobicContact CE2-CG2 4.1Å; F350-V437 HydrophobicContact CZ-CG2 4.5Å
351I92.7Very high92.4Very high72 Ų7259.6 Ų59.637%0.36933%0.329SS..  trans-122.6128.5175.3-173.5167.8000110.8F349 I354 I362 V363F349-I351 HydrophobicContact CE1-CB 4.01Å; F349-I351 HydrophobicContact CE1-CG2 3.85Å; F349-I351 HydrophobicContact CZ-CB 3.9Å; F349-I351 HydrophobicContact CZ-CG2 4.17Å; I351-I354 HydrophobicContact CG1-CG2 4.41Å; I351-I354 HydrophobicContact CG2-CG2 3.93Å; I351-I362 WeakPolarHBondContact CG2-O 3.23Å; I351-V363 PolarHBondContact N-O 3.5Å
352S93.3Very high92.3Very high42 Ų4261.3 Ų61.329%0.29434%0.337SS..  trans-157.9132.2175.1-1750000107.7T436 L438S352-T436 PolarHBondContact OG-O 3.43Å; S352-L438 PolarHBondContact OG-N 3.11Å
353P94Very high92.3Very high73 Ų7359 Ų5947%0.47432%0.317SS..SBendcis-77166.40.834.7-37.6000113.7L438P353-L438 CarbonylContact C-O 3.57Å; P353-L438 WeakPolarHBondContact CA-O 2.99Å; P353-L438 HydrophobicContact CB-CB 3.93Å; P353-L438 WeakPolarHBondContact CB-O 3.45Å
354I94.8Very high92.3Very high1 Ų159 Ų591%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-123143.9175.361177.4000111.5I351 I361 V363 F389 T403 L407 V437 L438 V439 S440I351-I354 HydrophobicContact CG1-CG2 4.41Å; I351-I354 HydrophobicContact CG2-CG2 3.93Å; I354-I361 HydrophobicContact CB-CD1 4.17Å; I354-I361 HydrophobicContact CG2-CG2 4.29Å; I354-V363 HydrophobicContact CD1-CG2 3.75Å; I354-F389 HydrophobicContact CD1-CE1 4.33Å; I354-T403 HydrophobicContact CD1-CG2 4.02Å; I354-L407 HydrophobicContact CD1-CD1 3.77Å; I354-L407 HydrophobicContact CG1-CD1 4.29Å; I354-V437 HydrophobicContact CD1-CG1 3.55Å; I354-V437 HydrophobicContact CG1-CG1 3.85Å; I354-L438 PolarHBondContact N-O 3.08Å; I354-V439 CarbonylContact O-C 3.55Å; I354-V439 WeakPolarHBondContact O-CA 3.29Å; I354-S440 PolarHBondContact O-N 3.19Å; I354-S440 PolarHBondContact O-OG 2.79Å
355P92.9Very high92.3Very high41 Ų4154.8 Ų54.827%0.26630%0.3SS..EExtended strand (participates in β ladder)trans-66.3145.1178.528.3-35.9000111.8L358 I361 S440 V442P355-L358 HydrophobicContact CG-CD1 3.9Å; P355-L358 HydrophobicContact CG-CG 4.3Å; P355-I361 HydrophobicContact CG-CD1 3.97Å; P355-I361 VanDerWaalsContact O-CD1 3.29Å; P355-I361 WeakPolarHBondContact O-CD1 3.16Å; P355-S440 VanDerWaalsContact CA-OG 3.29Å; P355-S440 WeakPolarHBondContact CA-OG 3.33Å; P355-V442 HydrophobicContact CB-CG2 4.05Å
356E93.3Very high92.3Very high2 Ų253.5 Ų53.51%0.00929%0.293CS..THydrogen-bonded Turntrans-72.4-48.1-175.864.8-155.8111.500113.9L358 A406 L407 R409 V439 D441 V442E356-L358 PolarHBondContact O-N 2.98Å; E356-A406 CarbonylContact O-C 3.57Å; E356-L407 CarbonylContact C-O 3.49Å; E356-L407 HydrophobicContact CB-CB 4.4Å; E356-L407 PolarHBondContact O-N 2.9Å; E356-L407 VanDerWaalsContact O-O 3.13Å; E356-R409 WeakPolarHBondContact OE2-CB 3.36Å; E356-R409 PolarHBondContact OE2-N 2.89Å; E356-V439 HydrophobicContact CB-CG1 3.52Å; E356-D441 VanDerWaalsContact OE1-CA 3.32Å; E356-D441 WeakPolarHBondContact OE1-CA 3.47Å; E356-V442 HydrophobicContact CG-CB 4.18Å; E356-V442 HydrophobicContact CG-CG2 4.15Å; E356-V442 PolarHBondContact OE1-N 2.89Å
357N87.2Confident92.3Very high76 Ų7651.6 Ų51.641%0.40628%0.283SS..THydrogen-bonded Turntrans-73.70.2-166.670-12.9000115.8
358L86.8Confident92.4Very high90 Ų9048.8 Ų48.847%0.47127%0.269SS..  trans-103.9122.9-177.8-59.8-176.7000111.9P355 E356 I361P355-L358 HydrophobicContact CG-CD1 3.9Å; P355-L358 HydrophobicContact CG-CG 4.3Å; E356-L358 PolarHBondContact O-N 2.98Å; L358-I361 HydrophobicContact CB-CD1 3.91Å; L358-I361 HydrophobicContact CB-CG1 3.89Å; L358-I361 WeakPolarHBondContact O-CD1 3.21Å; L358-I361 WeakPolarHBondContact O-CG1 3.42Å
359P86.3Confident92.4Very high75 Ų7547.8 Ų47.849%0.48726%0.262SS..SBendtrans-77.8164.4168.734.3-35.4000111.7I361P359-I361 VanDerWaalsContact C-N 3.27Å; P359-I361 PolarHBondContact O-N 3.19Å
360E87.2Confident92.5Very high114 Ų11443.6 Ų43.653%0.53324%0.244SC..SBendtrans56.727.9175.2-53.4-159.9109.400116I362 R392 T403E360-I362 PolarHBondContact O-N 3.32Å; E360-R392 IonicContact OE1-CZ 3.43Å; E360-R392 VanDerWaalsContact OE1-CZ 3.28Å; E360-R392 IonicContact OE1-NH1 3.12Å; E360-R392 PolarHBondContact OE1-NH1 3.32Å; E360-R392 IonicContact OE1-NH2 3.86Å; E360-R392 PolarHBondContact OE1-NH2 2.84Å; E360-T403 PolarHBondContact N-O 2.99Å; E360-T403 PolarHBondContact N-OG1 3.07Å; E360-T403 VanDerWaalsContact N-OG1 3.07Å
361I91.4Very high92.4Very high29 Ų2942.2 Ų42.215%0.14925%0.248CC..  trans-67.8130174-52.5171.7000109I354 P355 L358 P359 V363 V402 T403I354-I361 HydrophobicContact CB-CD1 4.17Å; I354-I361 HydrophobicContact CG2-CG2 4.29Å; P355-I361 HydrophobicContact CG-CD1 3.97Å; P355-I361 VanDerWaalsContact O-CD1 3.29Å; P355-I361 WeakPolarHBondContact O-CD1 3.16Å; L358-I361 HydrophobicContact CB-CD1 3.91Å; L358-I361 HydrophobicContact CB-CG1 3.89Å; L358-I361 WeakPolarHBondContact O-CD1 3.21Å; L358-I361 WeakPolarHBondContact O-CG1 3.42Å; P359-I361 VanDerWaalsContact C-N 3.27Å; P359-I361 PolarHBondContact O-N 3.19Å; I361-V363 PolarHBondContact O-N 3.37Å; I361-V402 VanDerWaalsContact O-CA 3.23Å; I361-V402 WeakPolarHBondContact O-CA 3.37Å; I361-T403 HydrophobicContact CB-CG2 4.37Å; I361-T403 PolarHBondContact N-OG1 3.4Å; I361-T403 PolarHBondContact O-N 2.93Å; I361-T403 VanDerWaalsContact O-N 3.11Å
362I92.8Very high92.5Very high88 Ų8838.8 Ų38.845%0.45123%0.231SC..EExtended strand (participates in β ladder)trans-76.6108.9169-57.4171.2000108.6I351 E360 V365 V402I351-I362 WeakPolarHBondContact CG2-O 3.23Å; E360-I362 PolarHBondContact O-N 3.32Å; I362-V365 HydrophobicContact CG2-CG2 3.82Å; I362-V402 HydrophobicContact CG1-CG1 4.07Å
363V94.3Very high92.5Very high0 Ų038.5 Ų38.50%023%0.228CC..EExtended strand (participates in β ladder)trans-90-39.4-176.2-174.50000111.5F350 I351 I354 I361 F389 L401 T403 V437F350-V363 WeakPolarHBondContact CA-O 3.2Å; F350-V363 HydrophobicContact CE2-CG1 4.35Å; I351-V363 PolarHBondContact N-O 3.5Å; I354-V363 HydrophobicContact CD1-CG2 3.75Å; I361-V363 PolarHBondContact O-N 3.37Å; V363-F389 HydrophobicContact CG2-CD1 4.19Å; V363-F389 HydrophobicContact CG2-CE1 4.06Å; V363-L401 HydrophobicContact CB-CD2 4.42Å; V363-L401 HydrophobicContact CB-CG 4.5Å; V363-L401 PolarHBondContact N-O 3.05Å; V363-T403 HydrophobicContact CG2-CG2 4.08Å; V363-V437 HydrophobicContact CG1-CB 4.5Å; V363-V437 HydrophobicContact CG1-CG1 3.98Å; V363-V437 HydrophobicContact CG1-CG2 3.64Å
364A94.3Very high92.2Very high0 Ų037.7 Ų37.70%023%0.233CC..EExtended strand (participates in β ladder)trans-146.8150.8179.200000111.9M347 F349 F350 T400 L401 I435M347-A364 HydrophobicContact SD-CB 3.94Å; F349-A364 CarbonylContact O-C 3.54Å; F349-A364 VanDerWaalsContact O-CA 3.26Å; F349-A364 WeakPolarHBondContact O-CA 3.29Å; F350-A364 HydrophobicContact CD2-CB 4.19Å; A364-T400 WeakPolarHBondContact O-CA 3.38Å; A364-L401 HydrophobicContact CB-CB 3.97Å; A364-L401 HydrophobicContact CB-CD2 4.23Å; A364-L401 PolarHBondContact N-O 2.9Å; A364-L401 PolarHBondContact O-N 2.83Å; A364-I435 HydrophobicContact CB-CD1 4.45Å
365V94.1Very high92Very high36 Ų3642.5 Ų42.522%0.21826%0.255CS..EExtended strand (participates in β ladder)trans-130.3126.6167.9-171.60000107.7S348 F349 I362 Y399 T400S348-V365 WeakPolarHBondContact CA-O 3.09Å; S348-V365 WeakPolarHBondContact CB-O 3.46Å; S348-V365 PolarHBondContact N-O 3.48Å; F349-V365 HydrophobicContact CB-CB 4.07Å; F349-V365 HydrophobicContact CB-CG2 4.23Å; F349-V365 HydrophobicContact CD1-CG2 4.28Å; F349-V365 PolarHBondContact N-O 2.91Å; F349-V365 PolarHBondContact O-N 2.77Å; I362-V365 HydrophobicContact CG2-CG2 3.82Å; V365-Y399 WeakPolarHBondContact CA-O 3.46Å; V365-T400 HydrophobicContact CG1-CG2 4.2Å; V365-T400 HydrophobicContact CG2-CG2 4.15Å
366F94.9Very high91.9Very high0 Ų041.9 Ų41.90%025%0.25CC..EExtended strand (participates in β ladder)trans-142.2152.2-179.461.3-86.8000110.6L345 T346 M347 V368 L391 Y399 I419L345-F366 HydrophobicContact CD1-CD2 3.76Å; L345-F366 HydrophobicContact CD1-CE2 3.81Å; L345-F366 HydrophobicContact CD1-CG 4.48Å; L345-F366 HydrophobicContact CD2-CB 4.19Å; L345-F366 HydrophobicContact CD2-CD2 4.26Å; L345-F366 HydrophobicContact CD2-CG 4.38Å; L345-F366 HydrophobicContact CG-CD2 3.77Å; L345-F366 HydrophobicContact CG-CE2 4.32Å; L345-F366 HydrophobicContact CG-CG 4.37Å; T346-F366 VanDerWaalsContact O-CA 3.27Å; T346-F366 WeakPolarHBondContact O-CA 3.35Å; T346-F366 WeakPolarHBondContact O-CB 3.31Å; M347-F366 HydrophobicContact SD-CB 3.96Å; M347-F366 HydrophobicContact SD-CD1 4.45Å; F366-V368 HydrophobicContact CD2-CG2 4.09Å; F366-V368 HydrophobicContact CE2-CG2 4.03Å; F366-L391 HydrophobicContact CE1-CD2 3.74Å; F366-L391 HydrophobicContact CZ-CD2 3.63Å; F366-Y399 HydrophobicContact CD2-CD2 4.48Å; F366-Y399 AromaticContact CE2-CD2 3.95Å; F366-Y399 HydrophobicContact CE2-CD2 3.95Å; F366-Y399 HydrophobicContact CE2-CG 4.01Å; F366-Y399 VanDerWaalsContact CZ-CB 3.46Å; F366-Y399 HydrophobicContact CZ-CG 4.1Å; F366-Y399 PolarHBondContact N-O 2.83Å; F366-Y399 VanDerWaalsContact N-O 3.07Å; F366-Y399 PolarHBondContact O-N 3.42Å; F366-I419 HydrophobicContact CD1-CD1 4.12Å; F366-I419 HydrophobicContact CE1-CD1 3.72Å; F366-I419 HydrophobicContact CE1-CG2 4.43Å; F366-I419 HydrophobicContact CE2-CG2 3.9Å; F366-I419 HydrophobicContact CZ-CD1 4.04Å; F366-I419 HydrophobicContact CZ-CG1 4.49Å; F366-I419 HydrophobicContact CZ-CG2 3.64Å
367S94.8Very high91.8Very high22 Ų2245.9 Ų45.915%0.15427%0.269CS..EExtended strand (participates in β ladder)trans-104.3151.217054.60000109.8T346T346-S367 PolarHBondContact N-O 3.01Å; T346-S367 PolarHBondContact O-N 3.3Å
368V94.8Very high92Very high6 Ų646.9 Ų46.94%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-117.1127.7169.7179.10000108.5P343 E344 F366 V379 N397 Y399 V421P343-V368 HydrophobicContact CB-CG1 4.17Å; E344-V368 WeakPolarHBondContact O-CA 3.28Å; F366-V368 HydrophobicContact CD2-CG2 4.09Å; F366-V368 HydrophobicContact CE2-CG2 4.03Å; V368-V379 HydrophobicContact CB-CG2 4.24Å; V368-V379 HydrophobicContact CG1-CB 3.99Å; V368-V379 HydrophobicContact CG1-CG1 3.85Å; V368-V379 HydrophobicContact CG1-CG2 3.73Å; V368-N397 HydrophobicContact CB-CB 4.45Å; V368-N397 PolarHBondContact N-O 3.41Å; V368-N397 WeakPolarHBondContact O-CB 3.33Å; V368-Y399 HydrophobicContact CB-CE2 4.33Å; V368-Y399 HydrophobicContact CG2-CD2 3.95Å; V368-Y399 HydrophobicContact CG2-CE2 3.94Å; V368-V421 HydrophobicContact CG1-CG1 3.5Å; V368-V421 HydrophobicContact CG1-CG2 4.41Å; V368-V421 HydrophobicContact CG2-CG1 4.3Å; V368-V421 HydrophobicContact CG2-CG2 3.82Å
369S93.1Very high92.3Very high55 Ų5543.4 Ų43.439%0.38525%0.253SS..EExtended strand (participates in β ladder)trans-125.1141.6175.644.50000109.5E344E344-S369 PolarHBondContact N-O 2.78Å; E344-S369 PolarHBondContact O-N 2.96Å
370D94.9Very high92.6Very high12 Ų1244 Ų446%0.06425%0.251CS..  trans-128.4140.2172-152.2-39.5000108P343 D372 Q377 V379P343-D370 WeakPolarHBondContact CA-OD2 3.44Å; P343-D370 WeakPolarHBondContact CD-OD2 3.18Å; P343-D370 WeakPolarHBondContact CG-OD2 3.49Å; D370-D372 PolarHBondContact OD1-N 2.91Å; D370-Q377 HydrophobicContact CB-CG 4.04Å; D370-Q377 PolarHBondContact O-NE2 3.39Å; D370-Q377 VanDerWaalsContact O-NE2 3.08Å; D370-V379 HydrophobicContact CB-CG1 4.18Å
371A93.7Very high92.9Very high53 Ų5339.5 Ų39.544%0.43823%0.232SC..SBendtrans-85.5-30.3-172.500000111.9E308 N341E308-A371 HydrophobicContact CG-CB 4.09Å; N341-A371 HydrophobicContact CB-CB 3.95Å
372D94.7Very high93Very high0 Ų040.6 Ų40.60%024%0.243CC..SBendtrans-57.2174.6173.6-58.3-15.1000111.6N339 N341 D370 N376 Q377N339-D372 WeakPolarHBondContact CA-OD2 3.38Å; N339-D372 PolarHBondContact OD1-OD2 3.13Å; N341-D372 WeakPolarHBondContact CB-OD1 3.17Å; N341-D372 PolarHBondContact N-OD1 2.91Å; N341-D372 VanDerWaalsContact N-OD1 3.13Å; N341-D372 PolarHBondContact ND2-OD1 3.48Å; D370-D372 PolarHBondContact OD1-N 2.91Å; D372-N376 HydrophobicContact CB-CB 3.53Å; D372-Q377 WeakPolarHBondContact O-CB 3.46Å; D372-Q377 WeakPolarHBondContact O-CG 3.18Å; D372-Q377 PolarHBondContact O-NE2 2.65Å
373S91.6Very high93.1Very high35 Ų3537.7 Ų37.725%0.24523%0.228CC..  trans-120.2170.7-177.6-780000114.7D337 H375 N376 Q377D337-S373 VanDerWaalsContact OD2-C 3.25Å; D337-S373 WeakPolarHBondContact OD2-CA 3.47Å; D337-S373 WeakPolarHBondContact OD2-CB 3.18Å; D337-S373 PolarHBondContact OD2-N 2.69Å; D337-S373 VanDerWaalsContact OD2-O 3.06Å; S373-H375 PolarHBondContact O-N 3.21Å; S373-N376 WeakPolarHBondContact O-CB 3.03Å; S373-N376 PolarHBondContact O-N 3.22Å; S373-Q377 PolarHBondContact O-N 2.73Å
374G89.3Confident93.1Very high56 Ų5640.8 Ų40.858%0.57724%0.242SC*.THydrogen-bonded Turntrans62.8-101.916800000115.3Q378G374-Q378 WeakPolarHBondContact O-CG 3.16Å; G374-Q378 PolarHBondContact O-NE2 2.92Å
375H89.7Confident92.6Very high102 Ų10249 Ų4947%0.47229%0.286SS..THydrogen-bonded Turntrans-98.5-27.6177.9-166.347.8000112.7S373 Q378 L424S373-H375 PolarHBondContact O-N 3.21Å; H375-Q378 PolarHBondContact ND1-OE1 2.84Å; H375-Q378 WeakPolarHBondContact O-CB 3.21Å; H375-Q378 PolarHBondContact O-N 3.01Å; H375-L424 PolarHBondContact NE2-O 3.03Å
376N90.7Very high92.3Very high28 Ų2853.6 Ų53.615%0.1531%0.309CS..THydrogen-bonded Turntrans-63.4-47.1177.8-61.7-11.2000108.6D337 N339 D372 S373 Q378 D423 G425D337-N376 PolarHBondContact OD1-ND2 2.69Å; N339-N376 HydrophobicContact CB-CB 3.85Å; N339-N376 PolarHBondContact N-ND2 3.22Å; N339-N376 VanDerWaalsContact OD1-CA 3.31Å; N339-N376 WeakPolarHBondContact OD1-CA 3.33Å; N339-N376 VanDerWaalsContact OD1-CB 3.28Å; N339-N376 WeakPolarHBondContact OD1-CB 3.46Å; D372-N376 HydrophobicContact CB-CB 3.53Å; S373-N376 WeakPolarHBondContact O-CB 3.03Å; S373-N376 PolarHBondContact O-N 3.22Å; N376-Q378 PolarHBondContact O-N 2.78Å; N376-D423 WeakPolarHBondContact O-CB 3.47Å; N376-G425 WeakPolarHBondContact OD1-CA 3.1Å
377Q91.3Very high92.2Very high87 Ų8754.5 Ų54.541%0.40731%0.314SS..THydrogen-bonded Turntrans-56.3-15.3174.1-152.2173.339.400117D370 D372 S373 V379D370-Q377 HydrophobicContact CB-CG 4.04Å; D370-Q377 PolarHBondContact O-NE2 3.39Å; D370-Q377 VanDerWaalsContact O-NE2 3.08Å; D372-Q377 WeakPolarHBondContact O-CB 3.46Å; D372-Q377 WeakPolarHBondContact O-CG 3.18Å; D372-Q377 PolarHBondContact O-NE2 2.65Å; S373-Q377 PolarHBondContact O-N 2.73Å; Q377-V379 PolarHBondContact O-N 2.8Å
378Q91.1Very high92.1Very high96 Ų9655.2 Ų55.245%0.44932%0.318SS..  trans-82.9117.5-171.1-68.3174.523.400111.1G374 H375 N376 D423 L424G374-Q378 WeakPolarHBondContact O-CG 3.16Å; G374-Q378 PolarHBondContact O-NE2 2.92Å; H375-Q378 PolarHBondContact ND1-OE1 2.84Å; H375-Q378 WeakPolarHBondContact O-CB 3.21Å; H375-Q378 PolarHBondContact O-N 3.01Å; N376-Q378 PolarHBondContact O-N 2.78Å; Q378-D423 CarbonylContact O-C 3.51Å; Q378-D423 WeakPolarHBondContact O-CA 3.26Å; Q378-L424 HydrophobicContact CB-CB 4.19Å; Q378-L424 HydrophobicContact CB-CD1 3.8Å; Q378-L424 HydrophobicContact CB-CG 4.21Å; Q378-L424 WeakPolarHBondContact O-CB 3.35Å; Q378-L424 VanDerWaalsContact O-CG 3.31Å; Q378-L424 WeakPolarHBondContact O-CG 3.38Å; Q378-L424 PolarHBondContact O-N 3.07Å
379V92.9Very high92.1Very high17 Ų1755.3 Ų55.310%0.10332%0.318CS..  trans-104.2143.9-172.6-63.90000113.5P343 V368 D370 Q377 N397 V421P343-V379 HydrophobicContact CB-CG1 3.92Å; P343-V379 HydrophobicContact CG-CG1 3.94Å; V368-V379 HydrophobicContact CB-CG2 4.24Å; V368-V379 HydrophobicContact CG1-CB 3.99Å; V368-V379 HydrophobicContact CG1-CG1 3.85Å; V368-V379 HydrophobicContact CG1-CG2 3.73Å; D370-V379 HydrophobicContact CB-CG1 4.18Å; Q377-V379 PolarHBondContact O-N 2.8Å; V379-N397 HydrophobicContact CG2-CB 4.41Å; V379-V421 HydrophobicContact CB-CG1 4.06Å; V379-V421 HydrophobicContact CG1-CG1 4.23Å
380I92.8Very high92.1Very high88 Ų8856 Ų5645%0.45132%0.318SS..EExtended strand (participates in β ladder)trans-115.9120.9166.4-62-176.2000108.4V421 T422 L424I380-V421 WeakPolarHBondContact O-CA 3.43Å; I380-T422 PolarHBondContact N-O 3.15Å; I380-T422 PolarHBondContact O-N 3.45Å; I380-L424 HydrophobicContact CD1-CD2 3.78Å; I380-L424 HydrophobicContact CG1-CD2 4.24Å
381C94Very high92.1Very high19 Ų1957 Ų5713%0.12832%0.322CS..EExtended strand (participates in β ladder)trans-99.7141.8174.8-168.80000111.3L391 Y399 I419C381-L391 HydrophobicContact CB-CD1 4.34Å; C381-L391 VanDerWaalsContact SG-CD1 3.58Å; C381-Y399 HydrophobicContact CB-CD1 4Å; C381-Y399 HydrophobicContact CB-CD2 4.21Å; C381-Y399 HydrophobicContact CB-CE1 3.58Å; C381-Y399 HydrophobicContact CB-CE2 3.81Å; C381-Y399 HydrophobicContact CB-CG 4.3Å; C381-Y399 VanDerWaalsContact CB-CZ 3.49Å; C381-I419 VanDerWaalsContact SG-CG2 3.58Å
382S93.9Very high92Very high53 Ų5359.7 Ų59.737%0.37132%0.321SS..EExtended strand (participates in β ladder)trans-151.1159.9-176.259.90000112.5T420S382-T420 PolarHBondContact N-O 3.39Å; S382-T420 PolarHBondContact O-N 3.39Å; S382-T420 PolarHBondContact OG-O 3.23Å
383I95.2Very high91.8Very high26 Ų2664.2 Ų64.213%0.13335%0.351CS..  trans-134.9170.6174.748.6169.1000109.5N385 F389 L391 L401 I417 I419I383-N385 PolarHBondContact O-N 2.92Å; I383-F389 HydrophobicContact CD1-CB 4.22Å; I383-F389 VanDerWaalsContact CD1-O 3.3Å; I383-F389 WeakPolarHBondContact CD1-O 3.48Å; I383-L391 HydrophobicContact CD1-CG 4.15Å; I383-L391 HydrophobicContact CG1-CD1 4.17Å; I383-L391 HydrophobicContact CG1-CG 4.09Å; I383-L391 HydrophobicContact CG2-CD1 3.92Å; I383-L391 HydrophobicContact CG2-CD2 4.43Å; I383-L391 HydrophobicContact CG2-CG 4.08Å; I383-L401 HydrophobicContact CD1-CD1 3.96Å; I383-I417 HydrophobicContact CB-CG2 4.31Å; I383-I417 HydrophobicContact CG2-CG2 3.78Å; I383-I419 HydrophobicContact CG2-CG1 4.06Å
384E92.4Very high91.4Very high66 Ų6666.2 Ų66.231%0.30837%0.365SS..  trans-66.5122177.6-58.8102.3152.600112.6N386 L387 T418E384-N386 WeakPolarHBondContact CB-OD1 3.31Å; E384-N386 PolarHBondContact O-N 2.88Å; E384-L387 HydrophobicContact CB-CD1 4.05Å; E384-L387 HydrophobicContact CB-CG 4.12Å; E384-L387 PolarHBondContact O-N 2.83Å; E384-L387 WeakPolarHBondContact OE2-CD1 3.18Å; E384-T418 WeakPolarHBondContact OE1-CB 3.08Å; E384-T418 PolarHBondContact OE1-N 3.48Å; E384-T418 PolarHBondContact OE1-OG1 2.91Å; E384-T418 PolarHBondContact OE2-N 3.33Å
385N84.8Confident91.1Very high173 Ų17368.4 Ų68.493%0.92537%0.367SS*.THydrogen-bonded Turntrans-60.8-3-177.4-67.7-16.5000116I383I383-N385 PolarHBondContact O-N 2.92Å
386N88.3Confident90.7Very high131 Ų13171.2 Ų71.270%0.70138%0.38SS*.THydrogen-bonded Turntrans-105.910.4-177.669.8-16.4000113.4E384E384-N386 WeakPolarHBondContact CB-OD1 3.31Å; E384-N386 PolarHBondContact O-N 2.88Å
387L92.4Very high90.5Very high20 Ų2073.2 Ų73.211%0.10539%0.391CS..SBendtrans-109.1146-179.4-51.8-178.7000110.5E384 F389 Y415 I417E384-L387 HydrophobicContact CB-CD1 4.05Å; E384-L387 HydrophobicContact CB-CG 4.12Å; E384-L387 PolarHBondContact O-N 2.83Å; E384-L387 WeakPolarHBondContact OE2-CD1 3.18Å; L387-F389 HydrophobicContact CB-CD2 3.93Å; L387-F389 PolarHBondContact O-N 3.08Å; L387-Y415 HydrophobicContact CD2-CD1 4.42Å; L387-I417 HydrophobicContact CD1-CB 4.26Å; L387-I417 HydrophobicContact CD1-CG1 3.99Å; L387-I417 HydrophobicContact CD1-CG2 4.26Å
388P93.3Very high90.6Very high37 Ų3773 Ų7324%0.2439%0.389CS..SBendtrans-79.544.6-177.335.3-38.5000112.8D404 L407 Y415P388-D404 PolarHBondContact O-N 2.88Å; P388-L407 HydrophobicContact CB-CD2 3.92Å; P388-L407 HydrophobicContact CG-CD2 3.47Å; P388-L407 VanDerWaalsContact CG-CD2 3.47Å; P388-Y415 VanDerWaalsContact CD-CE1 3.42Å; P388-Y415 HydrophobicContact CG-CD1 4.27Å; P388-Y415 HydrophobicContact CG-CE1 3.55Å
389F94.2Very high90.8Very high8 Ų869.6 Ų69.64%0.03537%0.372CS..EExtended strand (participates in β ladder)trans-132.4148.5-179.8-55-93.5000110.2I354 V363 I383 L387 L401 V402 T403 L407 Y415 I417 V437I354-F389 HydrophobicContact CD1-CE1 4.33Å; V363-F389 HydrophobicContact CG2-CD1 4.19Å; V363-F389 HydrophobicContact CG2-CE1 4.06Å; I383-F389 HydrophobicContact CD1-CB 4.22Å; I383-F389 VanDerWaalsContact CD1-O 3.3Å; I383-F389 WeakPolarHBondContact CD1-O 3.48Å; L387-F389 HydrophobicContact CB-CD2 3.93Å; L387-F389 PolarHBondContact O-N 3.08Å; F389-L401 HydrophobicContact CB-CD1 3.88Å; F389-L401 HydrophobicContact CB-CG 4.49Å; F389-V402 CarbonylContact C-O 3.52Å; F389-V402 WeakPolarHBondContact CA-O 3.46Å; F389-V402 WeakPolarHBondContact CB-O 3.09Å; F389-T403 HydrophobicContact CD1-CG2 3.95Å; F389-T403 HydrophobicContact CE1-CG2 3.75Å; F389-L407 HydrophobicContact CE1-CD1 4.38Å; F389-L407 HydrophobicContact CZ-CD1 4.17Å; F389-Y415 AromaticContact CE2-CD1 3.69Å; F389-Y415 HydrophobicContact CE2-CD1 3.69Å; F389-Y415 HydrophobicContact CE2-CD2 4.25Å; F389-Y415 HydrophobicContact CE2-CE1 4.31Å; F389-Y415 AromaticContact CE2-CG 3.64Å; F389-Y415 HydrophobicContact CE2-CG 3.64Å; F389-Y415 HydrophobicContact CZ-CD1 4.38Å; F389-Y415 HydrophobicContact CZ-CD2 4.12Å; F389-Y415 AromaticContact CZ-CG 3.92Å; F389-Y415 HydrophobicContact CZ-CG 3.92Å; F389-I417 HydrophobicContact CD1-CD1 4.05Å; F389-I417 HydrophobicContact CD2-CD1 3.65Å; F389-I417 HydrophobicContact CD2-CG1 4.29Å; F389-I417 HydrophobicContact CE1-CD1 4.07Å; F389-I417 HydrophobicContact CE2-CD1 3.69Å; F389-I417 HydrophobicContact CE2-CG1 4.27Å; F389-I417 HydrophobicContact CG-CD1 3.85Å; F389-I417 HydrophobicContact CZ-CD1 3.91Å; F389-V437 HydrophobicContact CE1-CG1 4.42Å; F389-V437 HydrophobicContact CZ-CG1 4.36Å
390L93.2Very high90.8Very high70 Ų7070.3 Ų70.337%0.36638%0.376SS..EExtended strand (participates in β ladder)trans-119.7143.2171.4-79.287.7000110.9L401 V402 D404L390-L401 WeakPolarHBondContact O-CA 3.47Å; L390-V402 HydrophobicContact CB-CG2 4.13Å; L390-V402 PolarHBondContact N-O 2.92Å; L390-V402 PolarHBondContact O-N 2.66Å; L390-D404 HydrophobicContact CD1-CB 3.38Å; L390-D404 WeakPolarHBondContact CD1-OD1 3.19Å
391L93.8Very high90.9Very high32 Ų3266.1 Ų66.117%0.16836%0.355CS..EExtended strand (participates in β ladder)trans-84.2115.1159.2-70.3174.8000109.2F366 C381 I383 L401F366-L391 HydrophobicContact CE1-CD2 3.74Å; F366-L391 HydrophobicContact CZ-CD2 3.63Å; C381-L391 HydrophobicContact CB-CD1 4.34Å; C381-L391 VanDerWaalsContact SG-CD1 3.58Å; I383-L391 HydrophobicContact CD1-CG 4.15Å; I383-L391 HydrophobicContact CG1-CD1 4.17Å; I383-L391 HydrophobicContact CG1-CG 4.09Å; I383-L391 HydrophobicContact CG2-CD1 3.92Å; I383-L391 HydrophobicContact CG2-CD2 4.43Å; I383-L391 HydrophobicContact CG2-CG 4.08Å; L391-L401 HydrophobicContact CD2-CB 4.31Å; L391-L401 HydrophobicContact CD2-CD1 3.86Å; L391-L401 HydrophobicContact CG-CD1 4.37Å
392R91.9Very high90.9Very high109 Ų10965.4 Ų65.441%0.41135%0.35SS..EExtended strand (participates in β ladder)trans-97.6110.4166.1-70.4-178.6-176.6175.84.8108.6E360 T400 V402E360-R392 IonicContact OE1-CZ 3.43Å; E360-R392 VanDerWaalsContact OE1-CZ 3.28Å; E360-R392 IonicContact OE1-NH1 3.12Å; E360-R392 PolarHBondContact OE1-NH1 3.32Å; E360-R392 IonicContact OE1-NH2 3.86Å; E360-R392 PolarHBondContact OE1-NH2 2.84Å; R392-T400 WeakPolarHBondContact CB-OG1 3.5Å; R392-T400 PolarHBondContact N-O 2.9Å; R392-T400 PolarHBondContact O-N 3.01Å; R392-T400 PolarHBondContact O-OG1 2.89Å; R392-V402 HydrophobicContact CG-CG2 4.03Å
393P91.3Very high90.9Very high96 Ų9662.9 Ų62.962%0.62333%0.332SS*.EExtended strand (participates in β ladder)trans-66.6149.8172.629-33.9000110.6Y399P393-Y399 HydrophobicContact CB-CD1 4.03Å; P393-Y399 HydrophobicContact CB-CE1 3.83Å
394S83.3Confident90.7Very high76 Ų7666.8 Ų66.853%0.53135%0.353SS..  trans-120.8-153.1178.5-166.10000109.5F398S394-F398 WeakPolarHBondContact CA-O 3.32Å; S394-F398 WeakPolarHBondContact CB-O 3.34Å; S394-F398 PolarHBondContact N-O 2.91Å
395V83.2Confident90.5Very high103 Ų10364.9 Ų64.962%0.62435%0.352SS*.SBendtrans-72155.6172.6-140.80000110.7N397 F398V395-N397 PolarHBondContact O-N 2.82Å; V395-N397 VanDerWaalsContact O-N 3.17Å; V395-F398 WeakPolarHBondContact O-CB 3.49Å; V395-F398 WeakPolarHBondContact O-CD2 3.36Å; V395-F398 PolarHBondContact O-N 2.83Å
396E80.2Confident90.8Very high161 Ų16159.7 Ų59.775%0.75233%0.332SS*.THydrogen-bonded Turntrans46.649.7163.8-66.8174-168.200115.7F398E396-F398 HydrophobicContact CB-CD2 4.23Å; E396-F398 HydrophobicContact CB-CE2 4.42Å; E396-F398 VanDerWaalsContact O-CD2 3.28Å; E396-F398 WeakPolarHBondContact O-CD2 3.49Å; E396-F398 PolarHBondContact O-N 3.26Å
397N88.1Confident91Very high70 Ų7054 Ų5437%0.37430%0.302SS..THydrogen-bonded Turntrans56.920.6-179.1-60.4-19.4000115.3V368 V379 V395 Y399V368-N397 HydrophobicContact CB-CB 4.45Å; V368-N397 PolarHBondContact N-O 3.41Å; V368-N397 WeakPolarHBondContact O-CB 3.33Å; V379-N397 HydrophobicContact CG2-CB 4.41Å; V395-N397 PolarHBondContact O-N 2.82Å; V395-N397 VanDerWaalsContact O-N 3.17Å; N397-Y399 VanDerWaalsContact O-CD2 3.23Å; N397-Y399 WeakPolarHBondContact O-CD2 3.42Å; N397-Y399 WeakPolarHBondContact O-CE2 3.47Å
398F92.6Very high91.1Very high82 Ų8256.3 Ų56.336%0.3631%0.314SS..EExtended strand (participates in β ladder)trans-79.3137.4165.4-73.6-99.3000110.4S394 V395 E396S394-F398 WeakPolarHBondContact CA-O 3.32Å; S394-F398 WeakPolarHBondContact CB-O 3.34Å; S394-F398 PolarHBondContact N-O 2.91Å; V395-F398 WeakPolarHBondContact O-CB 3.49Å; V395-F398 WeakPolarHBondContact O-CD2 3.36Å; V395-F398 PolarHBondContact O-N 2.83Å; E396-F398 HydrophobicContact CB-CD2 4.23Å; E396-F398 HydrophobicContact CB-CE2 4.42Å; E396-F398 VanDerWaalsContact O-CD2 3.28Å; E396-F398 WeakPolarHBondContact O-CD2 3.49Å; E396-F398 PolarHBondContact O-N 3.26Å
399Y94.2Very high91.2Very high24 Ų2456.8 Ų56.89%0.09431%0.311CS..EExtended strand (participates in β ladder)trans-124141.9177.9-67.4-91.2000110.3V365 F366 V368 C381 P393 N397V365-Y399 WeakPolarHBondContact CA-O 3.46Å; F366-Y399 HydrophobicContact CD2-CD2 4.48Å; F366-Y399 AromaticContact CE2-CD2 3.95Å; F366-Y399 HydrophobicContact CE2-CD2 3.95Å; F366-Y399 HydrophobicContact CE2-CG 4.01Å; F366-Y399 VanDerWaalsContact CZ-CB 3.46Å; F366-Y399 HydrophobicContact CZ-CG 4.1Å; F366-Y399 PolarHBondContact N-O 2.83Å; F366-Y399 VanDerWaalsContact N-O 3.07Å; F366-Y399 PolarHBondContact O-N 3.42Å; V368-Y399 HydrophobicContact CB-CE2 4.33Å; V368-Y399 HydrophobicContact CG2-CD2 3.95Å; V368-Y399 HydrophobicContact CG2-CE2 3.94Å; C381-Y399 HydrophobicContact CB-CD1 4Å; C381-Y399 HydrophobicContact CB-CD2 4.21Å; C381-Y399 HydrophobicContact CB-CE1 3.58Å; C381-Y399 HydrophobicContact CB-CE2 3.81Å; C381-Y399 HydrophobicContact CB-CG 4.3Å; C381-Y399 VanDerWaalsContact CB-CZ 3.49Å; P393-Y399 HydrophobicContact CB-CD1 4.03Å; P393-Y399 HydrophobicContact CB-CE1 3.83Å; N397-Y399 VanDerWaalsContact O-CD2 3.23Å; N397-Y399 WeakPolarHBondContact O-CD2 3.42Å; N397-Y399 WeakPolarHBondContact O-CE2 3.47Å
400T94.1Very high91.2Very high32 Ų3259 Ų5920%0.19632%0.322CS..EExtended strand (participates in β ladder)trans-115.4125.7172.757.10000109A364 V365 R392A364-T400 WeakPolarHBondContact O-CA 3.38Å; V365-T400 HydrophobicContact CG1-CG2 4.2Å; V365-T400 HydrophobicContact CG2-CG2 4.15Å; R392-T400 WeakPolarHBondContact CB-OG1 3.5Å; R392-T400 PolarHBondContact N-O 2.9Å; R392-T400 PolarHBondContact O-N 3.01Å; R392-T400 PolarHBondContact O-OG1 2.89Å
401L94.8Very high91.1Very high0 Ų060.1 Ų60.10%034%0.335CS..EExtended strand (participates in β ladder)trans-92.4118.4173.8-176.268.9000108.2V363 A364 I383 F389 L390 L391 I417 I435V363-L401 HydrophobicContact CB-CD2 4.42Å; V363-L401 HydrophobicContact CB-CG 4.5Å; V363-L401 PolarHBondContact N-O 3.05Å; A364-L401 HydrophobicContact CB-CB 3.97Å; A364-L401 HydrophobicContact CB-CD2 4.23Å; A364-L401 PolarHBondContact N-O 2.9Å; A364-L401 PolarHBondContact O-N 2.83Å; I383-L401 HydrophobicContact CD1-CD1 3.96Å; F389-L401 HydrophobicContact CB-CD1 3.88Å; F389-L401 HydrophobicContact CB-CG 4.49Å; L390-L401 WeakPolarHBondContact O-CA 3.47Å; L391-L401 HydrophobicContact CD2-CB 4.31Å; L391-L401 HydrophobicContact CD2-CD1 3.86Å; L391-L401 HydrophobicContact CG-CD1 4.37Å; L401-I417 HydrophobicContact CD2-CD1 3.89Å; L401-I435 HydrophobicContact CD2-CD1 3.74Å
402V94Very high91.1Very high4 Ų463.1 Ų63.12%0.02435%0.345CS..EExtended strand (participates in β ladder)trans-122.1154.8-178.7-61.40000111.6I361 I362 F389 L390 R392I361-V402 VanDerWaalsContact O-CA 3.23Å; I361-V402 WeakPolarHBondContact O-CA 3.37Å; I362-V402 HydrophobicContact CG1-CG1 4.07Å; F389-V402 CarbonylContact C-O 3.52Å; F389-V402 WeakPolarHBondContact CA-O 3.46Å; F389-V402 WeakPolarHBondContact CB-O 3.09Å; L390-V402 HydrophobicContact CB-CG2 4.13Å; L390-V402 PolarHBondContact N-O 2.92Å; L390-V402 PolarHBondContact O-N 2.66Å; R392-V402 HydrophobicContact CG-CG2 4.03Å
403T93.9Very high91.1Very high0 Ų060 Ų600%034%0.341CS..EExtended strand (participates in β ladder)trans-70.9139.2167.556.10000110.9I354 E360 I361 V363 F389 G405 L407I354-T403 HydrophobicContact CD1-CG2 4.02Å; E360-T403 PolarHBondContact N-O 2.99Å; E360-T403 PolarHBondContact N-OG1 3.07Å; E360-T403 VanDerWaalsContact N-OG1 3.07Å; I361-T403 HydrophobicContact CB-CG2 4.37Å; I361-T403 PolarHBondContact N-OG1 3.4Å; I361-T403 PolarHBondContact O-N 2.93Å; I361-T403 VanDerWaalsContact O-N 3.11Å; V363-T403 HydrophobicContact CG2-CG2 4.08Å; F389-T403 HydrophobicContact CD1-CG2 3.95Å; F389-T403 HydrophobicContact CE1-CG2 3.75Å; T403-G405 WeakPolarHBondContact CB-O 3.23Å; T403-G405 PolarHBondContact OG1-O 3.31Å; T403-L407 HydrophobicContact CG2-CD1 4Å; T403-L407 HydrophobicContact CG2-CD2 4.38Å; T403-L407 HydrophobicContact CG2-CG 4.17Å
404D90.7Very high91.3Very high109 Ų10959.7 Ų59.758%0.58333%0.332SS*.SBendtrans-70.9-39.8176.3-168.622.6000111.4P388 L390P388-D404 PolarHBondContact O-N 2.88Å; L390-D404 HydrophobicContact CD1-CB 3.38Å; L390-D404 WeakPolarHBondContact CD1-OD1 3.19Å
405G89Confident91.9Very high26 Ų2657 Ų5727%0.26831%0.31SS..SBendtrans-148.9-167.3177.100000110.9T403T403-G405 WeakPolarHBondContact CB-O 3.23Å; T403-G405 PolarHBondContact OG1-O 3.31Å
406A89.8Confident92.4Very high63 Ų6355.7 Ų55.752%0.52130%0.3SS..  trans-63.1141.1168.200000109.8E356E356-A406 CarbonylContact O-C 3.57Å
407L93.6Very high93.1Very high12 Ų1248 Ų486%0.06326%0.264CS..  trans-88.9174.3169.1-53.1-179.8000109.3I354 E356 P388 F389 T403 Y415 V439I354-L407 HydrophobicContact CD1-CD1 3.77Å; I354-L407 HydrophobicContact CG1-CD1 4.29Å; E356-L407 CarbonylContact C-O 3.49Å; E356-L407 HydrophobicContact CB-CB 4.4Å; E356-L407 PolarHBondContact O-N 2.9Å; E356-L407 VanDerWaalsContact O-O 3.13Å; P388-L407 HydrophobicContact CB-CD2 3.92Å; P388-L407 HydrophobicContact CG-CD2 3.47Å; P388-L407 VanDerWaalsContact CG-CD2 3.47Å; F389-L407 HydrophobicContact CE1-CD1 4.38Å; F389-L407 HydrophobicContact CZ-CD1 4.17Å; T403-L407 HydrophobicContact CG2-CD1 4Å; T403-L407 HydrophobicContact CG2-CD2 4.38Å; T403-L407 HydrophobicContact CG2-CG 4.17Å; L407-Y415 HydrophobicContact CD1-CE2 4.37Å; L407-Y415 HydrophobicContact CD2-CE2 4.49Å; L407-V439 HydrophobicContact CB-CG1 4.5Å; L407-V439 HydrophobicContact CD1-CG2 3.99Å
408D93.5Very high93.5Very high68 Ų6846 Ų4636%0.36426%0.255SS..  trans-147.7115-179.8164.6-10.4000106.4E410 S411 R412D408-E410 WeakPolarHBondContact OD1-CB 3.28Å; D408-E410 PolarHBondContact OD1-N 3.31Å; D408-E410 VanDerWaalsContact OD1-N 3.15Å; D408-S411 WeakPolarHBondContact OD1-CB 3.45Å; D408-S411 PolarHBondContact OD1-N 2.91Å; D408-S411 PolarHBondContact OD1-OG 2.83Å; D408-S411 VanDerWaalsContact OD2-CB 3.29Å; D408-S411 WeakPolarHBondContact OD2-CB 3.3Å; D408-S411 PolarHBondContact OD2-OG 2.79Å; D408-R412 PolarHBondContact O-N 3.17Å
409R95.1Very high93.7Very high48 Ų4842.1 Ų42.118%0.18124%0.237CC..Hα-helixtrans-78.6-35.4-173-173.6-14066.392.3-11111.2E356 S411 R412 A413 V439 D441 R476E356-R409 WeakPolarHBondContact OE2-CB 3.36Å; E356-R409 PolarHBondContact OE2-N 2.89Å; R409-S411 VanDerWaalsContact C-N 3.25Å; R409-S411 PolarHBondContact O-N 2.84Å; R409-R412 CarbonylContact O-C 3.49Å; R409-R412 PolarHBondContact O-N 3.16Å; R409-A413 HydrophobicContact CG-CB 3.81Å; R409-A413 PolarHBondContact O-N 2.87Å; R409-A413 VanDerWaalsContact O-N 3.16Å; R409-V439 HydrophobicContact CB-CB 4.27Å; R409-V439 HydrophobicContact CB-CG1 3.86Å; R409-V439 HydrophobicContact CG-CB 4.23Å; R409-V439 HydrophobicContact CG-CG1 4.27Å; R409-D441 VanDerWaalsContact CD-OD1 3.27Å; R409-D441 WeakPolarHBondContact CD-OD1 3.27Å; R409-D441 IonicContact CZ-OD1 3.5Å; R409-D441 IonicContact NE-OD1 2.68Å; R409-D441 PolarHBondContact NE-OD1 3.4Å; R409-D441 IonicContact NH2-OD1 2.74Å; R409-R476 PolarHBondContact NH2-O 2.55Å
410E94.3Very high93.7Very high54 Ų5442.1 Ų42.125%0.25224%0.24SC..Hα-helixtrans-61.1-36.7173.6-71.658.2-125.100110.8D408 R476D408-E410 WeakPolarHBondContact OD1-CB 3.28Å; D408-E410 PolarHBondContact OD1-N 3.31Å; D408-E410 VanDerWaalsContact OD1-N 3.15Å; E410-R476 HydrophobicContact CG-CB 3.74Å
411S92.4Very high93.8Very high93 Ų9340.6 Ų40.665%0.6523%0.23SC*.Hα-helixtrans-75.2-49.4170.6-74.50000112.1D408 R409D408-S411 WeakPolarHBondContact OD1-CB 3.45Å; D408-S411 PolarHBondContact OD1-N 2.91Å; D408-S411 PolarHBondContact OD1-OG 2.83Å; D408-S411 VanDerWaalsContact OD2-CB 3.29Å; D408-S411 WeakPolarHBondContact OD2-CB 3.3Å; D408-S411 PolarHBondContact OD2-OG 2.79Å; R409-S411 VanDerWaalsContact C-N 3.25Å; R409-S411 PolarHBondContact O-N 2.84Å
412R93.1Very high93.8Very high96 Ų9641.6 Ų41.636%0.36224%0.237SC..Hα-helixtrans-158.1102.8-179.9-175.8169.7174.4-1720.8113.7D408 R409 E414 Y415D408-R412 PolarHBondContact O-N 3.17Å; R409-R412 CarbonylContact O-C 3.49Å; R409-R412 PolarHBondContact O-N 3.16Å; R412-E414 WeakPolarHBondContact CG-O 3.29Å; R412-E414 PolarHBondContact NE-O 3.4Å; R412-E414 PolarHBondContact NH2-O 3.07Å; R412-E414 PolarHBondContact O-N 2.92Å; R412-Y415 HydrophobicContact CB-CE2 4.32Å; R412-Y415 HydrophobicContact CG-CE1 4.15Å; R412-Y415 HydrophobicContact CG-CE2 4.04Å; R412-Y415 VanDerWaalsContact CZ-CD1 3.48Å; R412-Y415 VanDerWaalsContact O-CE2 3.29Å; R412-Y415 WeakPolarHBondContact O-CE2 3.2Å
413A93Very high93.8Very high42 Ų4241.4 Ų41.435%0.34724%0.236SC..SBendtrans-73.3-15.3179.800000116.8R409 V439R409-A413 HydrophobicContact CG-CB 3.81Å; R409-A413 PolarHBondContact O-N 2.87Å; R409-A413 VanDerWaalsContact O-N 3.16Å; A413-V439 PolarHBondContact O-N 2.8Å
414E95.6Very high93.8Very high90 Ų9043.6 Ų43.642%0.42125%0.247SC..EExtended strand (participates in β ladder)trans-140.9133-173.9-175.4-173.8145.800113R412 N416 T436 L438R412-E414 WeakPolarHBondContact CG-O 3.29Å; R412-E414 PolarHBondContact NE-O 3.4Å; R412-E414 PolarHBondContact NH2-O 3.07Å; R412-E414 PolarHBondContact O-N 2.92Å; E414-N416 PolarHBondContact OE1-ND2 2.93Å; E414-T436 HydrophobicContact CG-CG2 3.75Å; E414-T436 WeakPolarHBondContact OE1-CG2 3.48Å; E414-L438 HydrophobicContact CB-CD2 4.28Å; E414-L438 HydrophobicContact CG-CD2 4Å
415Y94.4Very high93.8Very high19 Ų1938.5 Ų38.58%0.07522%0.22CC..EExtended strand (participates in β ladder)trans-123.6114.5175.7-64.6-94.6000110.9L387 P388 F389 L407 R412 V437 V439L387-Y415 HydrophobicContact CD2-CD1 4.42Å; P388-Y415 VanDerWaalsContact CD-CE1 3.42Å; P388-Y415 HydrophobicContact CG-CD1 4.27Å; P388-Y415 HydrophobicContact CG-CE1 3.55Å; F389-Y415 AromaticContact CE2-CD1 3.69Å; F389-Y415 HydrophobicContact CE2-CD1 3.69Å; F389-Y415 HydrophobicContact CE2-CD2 4.25Å; F389-Y415 HydrophobicContact CE2-CE1 4.31Å; F389-Y415 AromaticContact CE2-CG 3.64Å; F389-Y415 HydrophobicContact CE2-CG 3.64Å; F389-Y415 HydrophobicContact CZ-CD1 4.38Å; F389-Y415 HydrophobicContact CZ-CD2 4.12Å; F389-Y415 AromaticContact CZ-CG 3.92Å; F389-Y415 HydrophobicContact CZ-CG 3.92Å; L407-Y415 HydrophobicContact CD1-CE2 4.37Å; L407-Y415 HydrophobicContact CD2-CE2 4.49Å; R412-Y415 HydrophobicContact CB-CE2 4.32Å; R412-Y415 HydrophobicContact CG-CE1 4.15Å; R412-Y415 HydrophobicContact CG-CE2 4.04Å; R412-Y415 VanDerWaalsContact CZ-CD1 3.48Å; R412-Y415 VanDerWaalsContact O-CE2 3.29Å; R412-Y415 WeakPolarHBondContact O-CE2 3.2Å; Y415-V437 PolarHBondContact N-O 2.95Å; Y415-V437 PolarHBondContact O-N 3Å; Y415-V439 HydrophobicContact CD2-CG2 3.99Å; Y415-V439 HydrophobicContact CE2-CG2 3.81Å
416N95.2Very high93.8Very high76 Ų7643.4 Ų43.441%0.40625%0.245SC..EExtended strand (participates in β ladder)trans-89.5117.9165.9-69.4-53.3000107.8E414 I435 T436E414-N416 PolarHBondContact OE1-ND2 2.93Å; N416-I435 WeakPolarHBondContact CA-O 3.5Å; N416-T436 WeakPolarHBondContact OD1-CB 3.5Å; N416-T436 VanDerWaalsContact OD1-CG2 3.32Å; N416-T436 WeakPolarHBondContact OD1-CG2 3.36Å; N416-T436 PolarHBondContact OD1-OG1 3.47Å
417I94.9Very high93.9Very high0 Ų044.8 Ų44.80%025%0.249CC..EExtended strand (participates in β ladder)trans-115.6124.9-175.1-52.1174.6000107.6I383 L387 F389 L401 S434 I435 V437I383-I417 HydrophobicContact CB-CG2 4.31Å; I383-I417 HydrophobicContact CG2-CG2 3.78Å; L387-I417 HydrophobicContact CD1-CB 4.26Å; L387-I417 HydrophobicContact CD1-CG1 3.99Å; L387-I417 HydrophobicContact CD1-CG2 4.26Å; F389-I417 HydrophobicContact CD1-CD1 4.05Å; F389-I417 HydrophobicContact CD2-CD1 3.65Å; F389-I417 HydrophobicContact CD2-CG1 4.29Å; F389-I417 HydrophobicContact CE1-CD1 4.07Å; F389-I417 HydrophobicContact CE2-CD1 3.69Å; F389-I417 HydrophobicContact CE2-CG1 4.27Å; F389-I417 HydrophobicContact CG-CD1 3.85Å; F389-I417 HydrophobicContact CZ-CD1 3.91Å; L401-I417 HydrophobicContact CD2-CD1 3.89Å; I417-S434 CarbonylContact O-C 3.59Å; I417-S434 WeakPolarHBondContact O-CA 3.38Å; I417-I435 HydrophobicContact CB-CG1 3.97Å; I417-I435 PolarHBondContact N-O 3.06Å; I417-I435 PolarHBondContact O-N 2.92Å; I417-V437 HydrophobicContact CD1-CB 4.5Å; I417-V437 HydrophobicContact CD1-CG2 3.65Å; I417-V437 HydrophobicContact CG1-CG2 4.45Å
418T95.6Very high93.9Very high29 Ų2950.3 Ų50.318%0.17827%0.269CS..EExtended strand (participates in β ladder)trans-104102.5176.5-45.70000110.1E384 T420 Q432 S434E384-T418 WeakPolarHBondContact OE1-CB 3.08Å; E384-T418 PolarHBondContact OE1-N 3.48Å; E384-T418 PolarHBondContact OE1-OG1 2.91Å; E384-T418 PolarHBondContact OE2-N 3.33Å; T418-T420 PolarHBondContact O-N 2.62Å; T418-Q432 HydrophobicContact CG2-CB 4.21Å; T418-S434 PolarHBondContact OG1-OG 2.83Å
419I95.6Very high94Very high0 Ų049.6 Ų49.60%027%0.265CS..EExtended strand (participates in β ladder)trans-73.4120.1172.3-55.1165.4000107.5L345 M347 F366 C381 I383 V421 Q432 Q433 I435L345-I419 HydrophobicContact CD1-CB 4.09Å; L345-I419 HydrophobicContact CD1-CD1 4.5Å; L345-I419 HydrophobicContact CD1-CG2 3.55Å; M347-I419 HydrophobicContact CE-CD1 4.11Å; F366-I419 HydrophobicContact CD1-CD1 4.12Å; F366-I419 HydrophobicContact CE1-CD1 3.72Å; F366-I419 HydrophobicContact CE1-CG2 4.43Å; F366-I419 HydrophobicContact CE2-CG2 3.9Å; F366-I419 HydrophobicContact CZ-CD1 4.04Å; F366-I419 HydrophobicContact CZ-CG1 4.49Å; F366-I419 HydrophobicContact CZ-CG2 3.64Å; C381-I419 VanDerWaalsContact SG-CG2 3.58Å; I383-I419 HydrophobicContact CG2-CG1 4.06Å; I419-V421 HydrophobicContact CG2-CG2 4.49Å; I419-Q432 WeakPolarHBondContact O-CA 3.4Å; I419-Q433 PolarHBondContact N-O 2.87Å; I419-Q433 PolarHBondContact O-N 2.93Å; I419-I435 HydrophobicContact CD1-CD1 4.12Å
420T95.2Very high93.9Very high23 Ų2353 Ų5314%0.14128%0.281CS..EExtended strand (participates in β ladder)trans-115.4115178.2-59.80000109.3S382 T418 Q432S382-T420 PolarHBondContact N-O 3.39Å; S382-T420 PolarHBondContact O-N 3.39Å; S382-T420 PolarHBondContact OG-O 3.23Å; T418-T420 PolarHBondContact O-N 2.62Å; T420-Q432 HydrophobicContact CG2-CG 4.01Å; T420-Q432 PolarHBondContact OG1-NE2 3.3Å
421V95.6Very high94Very high0 Ų052.4 Ų52.40%028%0.281CS..EExtended strand (participates in β ladder)trans-101139.6172.4-174.30000108.3P343 L345 V368 V379 I380 I419 K430 T431P343-V421 HydrophobicContact CB-CB 4.24Å; P343-V421 HydrophobicContact CB-CG1 3.42Å; P343-V421 VanDerWaalsContact CB-CG1 3.42Å; P343-V421 HydrophobicContact CG-CG1 3.95Å; L345-V421 HydrophobicContact CD1-CG2 3.9Å; V368-V421 HydrophobicContact CG1-CG1 3.5Å; V368-V421 HydrophobicContact CG1-CG2 4.41Å; V368-V421 HydrophobicContact CG2-CG1 4.3Å; V368-V421 HydrophobicContact CG2-CG2 3.82Å; V379-V421 HydrophobicContact CB-CG1 4.06Å; V379-V421 HydrophobicContact CG1-CG1 4.23Å; I380-V421 WeakPolarHBondContact O-CA 3.43Å; I419-V421 HydrophobicContact CG2-CG2 4.49Å; V421-K430 CarbonylContact O-C 3.55Å; V421-K430 WeakPolarHBondContact O-CA 3.44Å; V421-K430 WeakPolarHBondContact O-CB 3.27Å; V421-T431 PolarHBondContact N-O 2.92Å; V421-T431 PolarHBondContact O-N 2.75Å
422T94.7Very high94.2Very high22 Ų2252.9 Ų52.914%0.13527%0.273CS..EExtended strand (participates in β ladder)trans-143.6130.9175.4-530000108.7I380 R428 L429 K430I380-T422 PolarHBondContact N-O 3.15Å; I380-T422 PolarHBondContact O-N 3.45Å; T422-R428 HydrophobicContact CG2-CB 3.99Å; T422-R428 VanDerWaalsContact CG2-CZ 3.48Å; T422-R428 VanDerWaalsContact CG2-NH2 3.34Å; T422-L429 WeakPolarHBondContact CA-O 3.5Å; T422-L429 VanDerWaalsContact CG2-O 3.29Å; T422-L429 WeakPolarHBondContact CG2-O 3.5Å; T422-K430 HydrophobicContact CG2-CB 4.13Å; T422-K430 WeakPolarHBondContact OG1-CB 3.03Å
423D95.2Very high94.2Very high0 Ų052.8 Ų52.80%028%0.276CS..  trans-62.7-171.7174.660.826.6000112.7N339 P343 N376 Q378 R428 L429N339-D423 PolarHBondContact ND2-OD2 2.83Å; N339-D423 PolarHBondContact OD1-OD2 2.91Å; P343-D423 HydrophobicContact CG-CB 3.97Å; N376-D423 WeakPolarHBondContact O-CB 3.47Å; Q378-D423 CarbonylContact O-C 3.51Å; Q378-D423 WeakPolarHBondContact O-CA 3.26Å; D423-R428 PolarHBondContact O-NE 3.49Å; D423-R428 PolarHBondContact O-NH2 3.11Å; D423-R428 WeakPolarHBondContact OD1-CA 3.45Å; D423-R428 VanDerWaalsContact OD1-CB 3.23Å; D423-R428 WeakPolarHBondContact OD1-CB 3.43Å; D423-L429 PolarHBondContact N-O 2.87Å; D423-L429 PolarHBondContact OD1-N 2.97Å; D423-L429 VanDerWaalsContact OD2-CA 3.23Å; D423-L429 WeakPolarHBondContact OD2-CA 3.29Å; D423-L429 WeakPolarHBondContact OD2-CB 3.37Å; D423-L429 PolarHBondContact OD2-N 2.92Å
424L92.8Very high94.3Very high45 Ų4554.2 Ų54.224%0.23628%0.284CS..SBendtrans-120.24.6171.8-72.3-177.7000114H375 Q378 I380H375-L424 PolarHBondContact NE2-O 3.03Å; Q378-L424 HydrophobicContact CB-CB 4.19Å; Q378-L424 HydrophobicContact CB-CD1 3.8Å; Q378-L424 HydrophobicContact CB-CG 4.21Å; Q378-L424 WeakPolarHBondContact O-CB 3.35Å; Q378-L424 VanDerWaalsContact O-CG 3.31Å; Q378-L424 WeakPolarHBondContact O-CG 3.38Å; Q378-L424 PolarHBondContact O-N 3.07Å; I380-L424 HydrophobicContact CD1-CD2 3.78Å; I380-L424 HydrophobicContact CG1-CD2 4.24Å
425G91.1Very high94.3Very high2 Ų250.7 Ų50.72%0.02127%0.268CS..SBendtrans-70.7-169.3176.600000114.5N339 N376 R428N339-G425 WeakPolarHBondContact OD1-CA 3.33Å; N339-G425 PolarHBondContact OD1-N 3.48Å; N376-G425 WeakPolarHBondContact OD1-CA 3.1Å; G425-R428 WeakPolarHBondContact O-CG 3.12Å
426T88.5Confident94.4Very high130 Ų13052.8 Ų52.880%0.79828%0.283SS*.SBendtrans-143.5110.5-175-65.80000110.5
427P93.2Very high94.4Very high92 Ų9249.2 Ų49.260%0.59726%0.263SS*.SBendcis-67156.40.732.4-37.1000112.7
428R93.5Very high94.4Very high128 Ų12853 Ų5348%0.48328%0.283SS..PPolyproline II helixtrans-79126.2175.2-66.1-177.973.9-167.53111.4T422 D423 G425T422-R428 HydrophobicContact CG2-CB 3.99Å; T422-R428 VanDerWaalsContact CG2-CZ 3.48Å; T422-R428 VanDerWaalsContact CG2-NH2 3.34Å; D423-R428 PolarHBondContact O-NE 3.49Å; D423-R428 PolarHBondContact O-NH2 3.11Å; D423-R428 WeakPolarHBondContact OD1-CA 3.45Å; D423-R428 VanDerWaalsContact OD1-CB 3.23Å; D423-R428 WeakPolarHBondContact OD1-CB 3.43Å; G425-R428 WeakPolarHBondContact O-CG 3.12Å
429L94.4Very high94.4Very high52 Ų5252.2 Ų52.227%0.27228%0.279SS..PPolyproline II helixtrans-96.9156.8171.8-51177.5000110.2N339 N341 A342 T422 D423N339-L429 WeakPolarHBondContact ND2-CD1 3.18Å; N339-L429 WeakPolarHBondContact ND2-CG 3.41Å; N341-L429 WeakPolarHBondContact O-CD1 3.23Å; A342-L429 HydrophobicContact CB-CB 3.98Å; A342-L429 HydrophobicContact CB-CD1 4.4Å; T422-L429 WeakPolarHBondContact CA-O 3.5Å; T422-L429 VanDerWaalsContact CG2-O 3.29Å; T422-L429 WeakPolarHBondContact CG2-O 3.5Å; D423-L429 PolarHBondContact N-O 2.87Å; D423-L429 PolarHBondContact OD1-N 2.97Å; D423-L429 VanDerWaalsContact OD2-CA 3.23Å; D423-L429 WeakPolarHBondContact OD2-CA 3.29Å; D423-L429 WeakPolarHBondContact OD2-CB 3.37Å; D423-L429 PolarHBondContact OD2-N 2.92Å
430K94.6Very high94.3Very high120 Ų12054 Ų5452%0.52229%0.291SS..EExtended strand (participates in β ladder)trans-149.8146.5-174.564.8170-172.7156.10112.6V421 T422 Q432V421-K430 CarbonylContact O-C 3.55Å; V421-K430 WeakPolarHBondContact O-CA 3.44Å; V421-K430 WeakPolarHBondContact O-CB 3.27Å; T422-K430 HydrophobicContact CG2-CB 4.13Å; T422-K430 WeakPolarHBondContact OG1-CB 3.03Å; K430-Q432 VanDerWaalsContact NZ-OE1 3.16Å
431T96.1Very high94.3Very high42 Ų4254.7 Ų54.726%0.25829%0.294SS..EExtended strand (participates in β ladder)trans-122.1138.9175.4-64.50000109.2P343 V421P343-T431 WeakPolarHBondContact O-CB 3.2Å; P343-T431 PolarHBondContact O-OG1 2.74Å; V421-T431 PolarHBondContact N-O 2.92Å; V421-T431 PolarHBondContact O-N 2.75Å
432Q95.4Very high94.2Very high103 Ų10356.5 Ų56.548%0.48131%0.305SS..EExtended strand (participates in β ladder)trans-128.1124.5-177.9-58.8-167.1-91.900110T418 I419 T420 K430T418-Q432 HydrophobicContact CG2-CB 4.21Å; I419-Q432 WeakPolarHBondContact O-CA 3.4Å; T420-Q432 HydrophobicContact CG2-CG 4.01Å; T420-Q432 PolarHBondContact OG1-NE2 3.3Å; K430-Q432 VanDerWaalsContact NZ-OE1 3.16Å
433Q94.4Very high94.2Very high93 Ų9356.1 Ų56.144%0.43530%0.302SS..EExtended strand (participates in β ladder)trans-123.3118.3176.4-179.959.157.200109.5L345 I419L345-Q433 HydrophobicContact CD1-CB 4.32Å; L345-Q433 HydrophobicContact CD2-CB 4.32Å; L345-Q433 HydrophobicContact CD2-CG 4.33Å; I419-Q433 PolarHBondContact N-O 2.87Å; I419-Q433 PolarHBondContact O-N 2.93Å
434S95.1Very high94Very high72 Ų7260.4 Ų60.450%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-89.8139.7173.4-58.90000111.1I417 T418I417-S434 CarbonylContact O-C 3.59Å; I417-S434 WeakPolarHBondContact O-CA 3.38Å; T418-S434 PolarHBondContact OG1-OG 2.83Å
435I95.1Very high94.1Very high17 Ų1760.2 Ų60.29%0.08732%0.324CS..EExtended strand (participates in β ladder)trans-130.7147.9173.260.4177000110.4M347 F350 A364 L401 N416 I417 I419M347-I435 HydrophobicContact CE-CG2 3.82Å; F350-I435 HydrophobicContact CD2-CD1 4.3Å; F350-I435 HydrophobicContact CE2-CB 4.23Å; F350-I435 HydrophobicContact CE2-CD1 3.98Å; F350-I435 HydrophobicContact CE2-CG1 4.49Å; F350-I435 HydrophobicContact CZ-CB 4.47Å; A364-I435 HydrophobicContact CB-CD1 4.45Å; L401-I435 HydrophobicContact CD2-CD1 3.74Å; N416-I435 WeakPolarHBondContact CA-O 3.5Å; I417-I435 HydrophobicContact CB-CG1 3.97Å; I417-I435 PolarHBondContact N-O 3.06Å; I417-I435 PolarHBondContact O-N 2.92Å; I419-I435 HydrophobicContact CD1-CD1 4.12Å
436T95.9Very high94.2Very high63 Ų6362.3 Ų62.339%0.38734%0.341SS..EExtended strand (participates in β ladder)trans-112.2107.6-179.4-54.90000110.2S352 E414 N416 L438S352-T436 PolarHBondContact OG-O 3.43Å; E414-T436 HydrophobicContact CG-CG2 3.75Å; E414-T436 WeakPolarHBondContact OE1-CG2 3.48Å; N416-T436 WeakPolarHBondContact OD1-CB 3.5Å; N416-T436 VanDerWaalsContact OD1-CG2 3.32Å; N416-T436 WeakPolarHBondContact OD1-CG2 3.36Å; N416-T436 PolarHBondContact OD1-OG1 3.47Å; T436-L438 HydrophobicContact CG2-CD2 4.45Å
437V95.4Very high94.6Very high0 Ų056.1 Ų56.10%030%0.303CS..EExtended strand (participates in β ladder)trans-93.7118.5177.4-176.20000108.5F350 I354 V363 F389 Y415 I417F350-V437 HydrophobicContact CE2-CG2 4.1Å; F350-V437 HydrophobicContact CZ-CG2 4.5Å; I354-V437 HydrophobicContact CD1-CG1 3.55Å; I354-V437 HydrophobicContact CG1-CG1 3.85Å; V363-V437 HydrophobicContact CG1-CB 4.5Å; V363-V437 HydrophobicContact CG1-CG1 3.98Å; V363-V437 HydrophobicContact CG1-CG2 3.64Å; F389-V437 HydrophobicContact CE1-CG1 4.42Å; F389-V437 HydrophobicContact CZ-CG1 4.36Å; Y415-V437 PolarHBondContact N-O 2.95Å; Y415-V437 PolarHBondContact O-N 3Å; I417-V437 HydrophobicContact CD1-CB 4.5Å; I417-V437 HydrophobicContact CD1-CG2 3.65Å; I417-V437 HydrophobicContact CG1-CG2 4.45Å
438L95.5Very high94.7Very high80 Ų8054.2 Ų54.242%0.41930%0.295SS..EExtended strand (participates in β ladder)trans-94139174.4-64.1173.5000109.2S352 P353 I354 E414 T436S352-L438 PolarHBondContact OG-N 3.11Å; P353-L438 CarbonylContact C-O 3.57Å; P353-L438 WeakPolarHBondContact CA-O 2.99Å; P353-L438 HydrophobicContact CB-CB 3.93Å; P353-L438 WeakPolarHBondContact CB-O 3.45Å; I354-L438 PolarHBondContact N-O 3.08Å; E414-L438 HydrophobicContact CB-CD2 4.28Å; E414-L438 HydrophobicContact CG-CD2 4Å; T436-L438 HydrophobicContact CG2-CD2 4.45Å
439V95Very high94.8Very high13 Ų1349.5 Ų49.58%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-93.8125.5174.5-171.70000108.8I354 E356 L407 R409 A413 Y415I354-V439 CarbonylContact O-C 3.55Å; I354-V439 WeakPolarHBondContact O-CA 3.29Å; E356-V439 HydrophobicContact CB-CG1 3.52Å; L407-V439 HydrophobicContact CB-CG1 4.5Å; L407-V439 HydrophobicContact CD1-CG2 3.99Å; R409-V439 HydrophobicContact CB-CB 4.27Å; R409-V439 HydrophobicContact CB-CG1 3.86Å; R409-V439 HydrophobicContact CG-CB 4.23Å; R409-V439 HydrophobicContact CG-CG1 4.27Å; A413-V439 PolarHBondContact O-N 2.8Å; Y415-V439 HydrophobicContact CD2-CG2 3.99Å; Y415-V439 HydrophobicContact CE2-CG2 3.81Å
440S94.1Very high94.7Very high38 Ų3851.1 Ų51.127%0.26629%0.291SS..EExtended strand (participates in β ladder)trans-88.7130.9173.259.40000110.8I354 P355I354-S440 PolarHBondContact O-N 3.19Å; I354-S440 PolarHBondContact O-OG 2.79Å; P355-S440 VanDerWaalsContact CA-OG 3.29Å; P355-S440 WeakPolarHBondContact CA-OG 3.33Å
441D94.1Very high94.6Very high36 Ų3650.5 Ų50.519%0.19329%0.289CS..PPolyproline II helixtrans-54.3132.6176.6-159.990.5000113.9E356 R409 S478 N481E356-D441 VanDerWaalsContact OE1-CA 3.32Å; E356-D441 WeakPolarHBondContact OE1-CA 3.47Å; R409-D441 VanDerWaalsContact CD-OD1 3.27Å; R409-D441 WeakPolarHBondContact CD-OD1 3.27Å; R409-D441 IonicContact CZ-OD1 3.5Å; R409-D441 IonicContact NE-OD1 2.68Å; R409-D441 PolarHBondContact NE-OD1 3.4Å; R409-D441 IonicContact NH2-OD1 2.74Å; D441-S478 VanDerWaalsContact CG-CB 3.49Å; D441-S478 VanDerWaalsContact CG-N 3.26Å; D441-S478 WeakPolarHBondContact OD1-CA 3.25Å; D441-S478 WeakPolarHBondContact OD1-CB 3.42Å; D441-S478 PolarHBondContact OD1-N 3.27Å; D441-S478 PolarHBondContact OD2-N 2.81Å; D441-S478 VanDerWaalsContact OD2-N 3.08Å; D441-N481 WeakPolarHBondContact OD2-CB 3.42Å; D441-N481 PolarHBondContact OD2-ND2 3.47Å
442V93.8Very high94.4Very high38 Ų3854.4 Ų54.423%0.2331%0.314CS..  trans-124.5137.5171.4-178.40000108.6P355 E356 D444P355-V442 HydrophobicContact CB-CG2 4.05Å; E356-V442 HydrophobicContact CG-CB 4.18Å; E356-V442 HydrophobicContact CG-CG2 4.15Å; E356-V442 PolarHBondContact OE1-N 2.89Å; V442-D444 VanDerWaalsContact C-N 3.34Å; V442-D444 PolarHBondContact O-N 2.9Å
443N94.4Very high94.3Very high15 Ų1552.4 Ų52.48%0.0831%0.311CS..SBendtrans-72.982.2-175.4-160.4102000112.3D477 N481 D533 G535 P537 L539N443-D477 VanDerWaalsContact CA-OD2 3.25Å; N443-D477 WeakPolarHBondContact CA-OD2 3.45Å; N443-N481 HydrophobicContact CB-CB 4.07Å; N443-N481 PolarHBondContact N-ND2 2.85Å; N443-N481 WeakPolarHBondContact OD1-CA 3.42Å; N443-N481 WeakPolarHBondContact OD1-CB 3.39Å; N443-N481 PolarHBondContact OD1-OD1 3.42Å; N443-D533 PolarHBondContact ND2-OD2 2.89Å; N443-D533 PolarHBondContact OD1-OD2 3.03Å; N443-G535 WeakPolarHBondContact OD1-CA 3.39Å; N443-P537 PolarHBondContact ND2-O 2.92Å; N443-L539 WeakPolarHBondContact ND2-CG 3.48Å
444D92.4Very high94.3Very high90 Ų9048.7 Ų48.748%0.48129%0.293SS..  trans-119.4-14.8-176.191.8-14.2000114.6V442 D477V442-D444 VanDerWaalsContact C-N 3.34Å; V442-D444 PolarHBondContact O-N 2.9Å; D444-D477 PolarHBondContact N-OD2 2.78Å
445N93.2Very high94.3Very high41 Ų4148.5 Ų48.522%0.21929%0.289CS..SBendtrans-92.2143.3165.4-60-91.4000110.3R476 D477 L539N445-R476 HydrophobicContact CB-CB 4.16Å; N445-D477 WeakPolarHBondContact CB-OD1 3.42Å; N445-D477 PolarHBondContact N-OD1 3.41Å; N445-D477 PolarHBondContact N-OD2 2.68Å; N445-D477 PolarHBondContact ND2-OD1 2.84Å; N445-L539 WeakPolarHBondContact O-CD1 3.31Å
446A94.4Very high94.3Very high45 Ų4548.8 Ų48.837%0.37229%0.291SS..PPolyproline II helixtrans-97.7149.9171.100000109.9A448 L539A446-A448 PolarHBondContact O-N 2.94Å; A446-A448 VanDerWaalsContact O-N 3.15Å; A446-L539 HydrophobicContact CB-CB 3.8Å
447P96.1Very high94.2Very high0 Ų052 Ų520%030%0.3CS..PPolyproline II helixtrans-55.2122.7178.5-25.630.5000111.3A473 D475 V484 A531 D533 S541P447-A473 HydrophobicContact CB-CB 4.34Å; P447-D475 VanDerWaalsContact CA-OD2 3.31Å; P447-D475 WeakPolarHBondContact CA-OD2 3.2Å; P447-D475 WeakPolarHBondContact CD-OD2 3.34Å; P447-D475 WeakPolarHBondContact CG-OD2 3.4Å; P447-V484 HydrophobicContact CB-CG1 4.08Å; P447-V484 HydrophobicContact CB-CG2 3.9Å; P447-V484 HydrophobicContact CG-CG1 4.44Å; P447-V484 HydrophobicContact CG-CG2 4.18Å; P447-A531 HydrophobicContact CB-CB 3.93Å; P447-D533 HydrophobicContact CG-CB 4.01Å; P447-S541 WeakPolarHBondContact O-CB 3.2Å; P447-S541 PolarHBondContact O-OG 2.94Å
448A94.9Very high94.2Very high53 Ų5352.2 Ų52.244%0.43830%0.301SS..EExtended strand (participates in β ladder)trans-101.7117.3-176.400000111.7A446 A473 T474A446-A448 PolarHBondContact O-N 2.94Å; A446-A448 VanDerWaalsContact O-N 3.15Å; A448-A473 CarbonylContact O-C 3.53Å; A448-A473 WeakPolarHBondContact O-CA 3.3Å; A448-T474 PolarHBondContact N-O 3.23Å; A448-T474 PolarHBondContact O-N 3.31Å
449F95.6Very high94Very high29 Ų2957.5 Ų57.513%0.12732%0.315CS..EExtended strand (participates in β ladder)trans-64.4142.6173.5-77-82.1000112.5Q451 Y454 V471 S472 A473 Y486 V529 A531 S541 A543F449-Q451 WeakPolarHBondContact CB-O 3.44Å; F449-Q451 PolarHBondContact O-N 2.88Å; F449-Y454 HydrophobicContact CD1-CE2 4.18Å; F449-V471 HydrophobicContact CD1-CB 4.44Å; F449-V471 HydrophobicContact CE1-CB 4.16Å; F449-V471 HydrophobicContact CE1-CG2 4.03Å; F449-S472 WeakPolarHBondContact CA-O 3.47Å; F449-A473 HydrophobicContact CD1-CB 3.85Å; F449-A473 HydrophobicContact CD2-CB 4.39Å; F449-A473 HydrophobicContact CE1-CB 4.14Å; F449-A473 HydrophobicContact CG-CB 4Å; F449-Y486 HydrophobicContact CE1-CD1 4.21Å; F449-Y486 HydrophobicContact CE1-CE1 4.06Å; F449-Y486 HydrophobicContact CZ-CD1 4.5Å; F449-V529 HydrophobicContact CE1-CG1 4.38Å; F449-V529 HydrophobicContact CZ-CB 4.38Å; F449-V529 HydrophobicContact CZ-CG1 4.11Å; F449-V529 WeakPolarHBondContact CZ-O 3.32Å; F449-A531 HydrophobicContact CD2-CB 4.36Å; F449-A531 HydrophobicContact CE1-CB 4.18Å; F449-A531 HydrophobicContact CE2-CB 3.54Å; F449-A531 HydrophobicContact CZ-CB 3.44Å; F449-A531 VanDerWaalsContact CZ-CB 3.44Å; F449-S541 VanDerWaalsContact CD2-OG 3.25Å; F449-S541 WeakPolarHBondContact CD2-OG 3.47Å; F449-S541 WeakPolarHBondContact CE2-OG 3.45Å; F449-A543 HydrophobicContact CB-CB 4.07Å; F449-A543 HydrophobicContact CD1-CB 3.89Å; F449-A543 HydrophobicContact CD2-CB 3.66Å; F449-A543 HydrophobicContact CE1-CB 4.2Å; F449-A543 HydrophobicContact CE2-CB 3.99Å; F449-A543 HydrophobicContact CG-CB 3.6Å; F449-A543 HydrophobicContact CZ-CB 4.24Å
450T93Very high93.9Very high86 Ų8657.3 Ų57.353%0.52831%0.313SS..SBendtrans-63.5-23.9176.864.10000113.8Y454 S472T450-Y454 PolarHBondContact N-OH 3.06Å; T450-Y454 PolarHBondContact OG1-OH 2.88Å; T450-S472 PolarHBondContact N-O 2.9Å
451Q92.6Very high93.7Very high106 Ų10660.1 Ų60.150%0.49533%0.326SS..  trans-141.3145.2176.5-54.5179.519.400109.3F449 S453 Y454F449-Q451 WeakPolarHBondContact CB-O 3.44Å; F449-Q451 PolarHBondContact O-N 2.88Å; Q451-S453 PolarHBondContact OE1-O 3.34Å; Q451-Y454 HydrophobicContact CB-CD1 4.25Å; Q451-Y454 HydrophobicContact CB-CD2 4.49Å; Q451-Y454 HydrophobicContact CB-CE1 3.85Å; Q451-Y454 HydrophobicContact CB-CE2 4.11Å; Q451-Y454 HydrophobicContact CG-CD1 4.43Å; Q451-Y454 HydrophobicContact CG-CE1 3.95Å; Q451-Y454 PolarHBondContact N-OH 2.74Å; Q451-Y454 VanDerWaalsContact O-CE2 3.3Å; Q451-Y454 WeakPolarHBondContact O-CE2 3.41Å
452T91Very high93.5Very high125 Ų12559.1 Ų59.177%0.76732%0.32SS*.SBendtrans-75.1-26.3175.250.50000112.7L544T452-L544 PolarHBondContact O-N 3.4Å; T452-L544 VanDerWaalsContact O-N 3.09Å
453S94.7Very high93.3Very high61 Ų6160.8 Ų60.843%0.42733%0.333SS..EExtended strand (participates in β ladder)trans-142.1138.1172.460.50000111.9Q451 L544Q451-S453 PolarHBondContact OE1-O 3.34Å; S453-L544 CarbonylContact C-O 3.51Å; S453-L544 VanDerWaalsContact CA-O 3.22Å; S453-L544 WeakPolarHBondContact CA-O 3.29Å
454Y94.9Very high92.9Very high14 Ų1464.3 Ų64.36%0.05536%0.357CS..EExtended strand (participates in β ladder)trans-113.6134.6175.3-58.6-97.5000109F449 T450 Q451 V471 S472 A543 L544 V545 R546F449-Y454 HydrophobicContact CD1-CE2 4.18Å; T450-Y454 PolarHBondContact N-OH 3.06Å; T450-Y454 PolarHBondContact OG1-OH 2.88Å; Q451-Y454 HydrophobicContact CB-CD1 4.25Å; Q451-Y454 HydrophobicContact CB-CD2 4.49Å; Q451-Y454 HydrophobicContact CB-CE1 3.85Å; Q451-Y454 HydrophobicContact CB-CE2 4.11Å; Q451-Y454 HydrophobicContact CG-CD1 4.43Å; Q451-Y454 HydrophobicContact CG-CE1 3.95Å; Q451-Y454 PolarHBondContact N-OH 2.74Å; Q451-Y454 VanDerWaalsContact O-CE2 3.3Å; Q451-Y454 WeakPolarHBondContact O-CE2 3.41Å; Y454-V471 HydrophobicContact CD1-CG1 4.22Å; Y454-V471 HydrophobicContact CD2-CB 4.45Å; Y454-V471 HydrophobicContact CD2-CG1 3.65Å; Y454-V471 HydrophobicContact CE1-CB 4.47Å; Y454-V471 HydrophobicContact CE1-CG1 4.31Å; Y454-V471 HydrophobicContact CE2-CB 4.06Å; Y454-V471 HydrophobicContact CE2-CG1 3.76Å; Y454-V471 HydrophobicContact CG-CG1 3.89Å; Y454-S472 PolarHBondContact OH-O 3.43Å; Y454-S472 VanDerWaalsContact OH-O 3.06Å; Y454-A543 HydrophobicContact CD2-CB 4.21Å; Y454-A543 HydrophobicContact CE2-CB 3.82Å; Y454-L544 PolarHBondContact N-O 2.78Å; Y454-V545 HydrophobicContact CD2-CG2 4.36Å; Y454-V545 WeakPolarHBondContact O-CA 3.48Å; Y454-R546 PolarHBondContact O-N 3.02Å
455T95.2Very high92.7Very high68 Ų6863.2 Ų63.242%0.41736%0.361SS..EExtended strand (participates in β ladder)trans-111.7120.2171.2-57.20000109.2F457 R546 L548T455-F457 HydrophobicContact CG2-CE2 4.04Å; T455-F457 HydrophobicContact CG2-CZ 3.96Å; T455-R546 WeakPolarHBondContact CA-O 3.07Å; T455-L548 HydrophobicContact CG2-CD1 3.69Å; T455-L548 HydrophobicContact CG2-CG 4.19Å
456L94.4Very high92.7Very high24 Ų2464.3 Ų64.313%0.12637%0.366CS..EExtended strand (participates in β ladder)trans-110.9140.7179.9-57.7-179.4000109.7I468 L511 V545 R546 V547 L548L456-I468 HydrophobicContact CD1-CD1 4.29Å; L456-I468 HydrophobicContact CD1-CG1 4.25Å; L456-L511 HydrophobicContact CD1-CD1 3.78Å; L456-V545 HydrophobicContact CD1-CG1 3.86Å; L456-V545 HydrophobicContact CG-CG1 4.22Å; L456-R546 PolarHBondContact N-O 2.92Å; L456-V547 HydrophobicContact CB-CG2 4.4Å; L456-L548 PolarHBondContact O-N 2.92Å
457F94.3Very high92.6Very high131 Ų13166.3 Ų66.358%0.57537%0.367SS*.EExtended strand (participates in β ladder)trans-113.6121178.9-63.2-86.9000109.4T455 L548 L550T455-F457 HydrophobicContact CG2-CE2 4.04Å; T455-F457 HydrophobicContact CG2-CZ 3.96Å; F457-L548 WeakPolarHBondContact CA-O 3.18Å; F457-L548 HydrophobicContact CD1-CB 3.89Å; F457-L548 HydrophobicContact CD1-CD1 4.13Å; F457-L548 HydrophobicContact CE1-CB 4.12Å; F457-L548 HydrophobicContact CE1-CD1 3.48Å; F457-L548 VanDerWaalsContact CE1-CD1 3.48Å; F457-L548 HydrophobicContact CE1-CG 4.41Å; F457-L548 HydrophobicContact CZ-CD1 4.02Å; F457-L550 HydrophobicContact CB-CD1 4.03Å; F457-L550 HydrophobicContact CB-CG 4.32Å; F457-L550 HydrophobicContact CD1-CD2 4.07Å
458V94.3Very high92.5Very high4 Ų467.1 Ų67.12%0.02437%0.372CS..EExtended strand (participates in β ladder)trans-125.2122.1-174.8-174.80000108.2L466 I468 L517 V547 L548 V549 L550V458-L466 HydrophobicContact CG1-CD2 4.33Å; V458-I468 HydrophobicContact CB-CG2 4.36Å; V458-I468 HydrophobicContact CG1-CG2 3.86Å; V458-I468 HydrophobicContact CG2-CB 3.66Å; V458-I468 HydrophobicContact CG2-CG2 3.49Å; V458-I468 VanDerWaalsContact CG2-CG2 3.49Å; V458-L517 HydrophobicContact CB-CD1 4.19Å; V458-L517 HydrophobicContact CG1-CD1 3.87Å; V458-V547 HydrophobicContact CB-CG1 4.33Å; V458-V547 HydrophobicContact CG2-CG1 3.76Å; V458-L548 PolarHBondContact N-O 2.78Å; V458-V549 CarbonylContact O-C 3.56Å; V458-V549 VanDerWaalsContact O-CA 3.28Å; V458-V549 WeakPolarHBondContact O-CA 3.19Å; V458-L550 PolarHBondContact O-N 2.88Å
459R91.8Very high92.3Very high191 Ų19165.2 Ų65.272%0.72136%0.357SS*.EExtended strand (participates in β ladder)trans-67.6137.2170.2-68.7-179.6-178.3173.1-1.3109.2L550R459-L550 HydrophobicContact CG-CB 4.14Å; R459-L550 HydrophobicContact CG-CD1 4.33Å
460E92Very high92.2Very high8 Ų866.9 Ų66.94%0.03737%0.372CS..SBendtrans-62.3175.7169.157.2144.1-132.700112.2N462 L517 Y519 V549 L550 A552 D554E460-N462 PolarHBondContact O-N 3.23Å; E460-L517 WeakPolarHBondContact CA-O 3.14Å; E460-L517 WeakPolarHBondContact CB-O 3.05Å; E460-Y519 WeakPolarHBondContact OE2-CB 3.12Å; E460-Y519 PolarHBondContact OE2-N 3.2Å; E460-V549 HydrophobicContact CB-CG1 3.77Å; E460-L550 WeakPolarHBondContact CG-O 3.34Å; E460-L550 PolarHBondContact N-O 3.39Å; E460-L550 VanDerWaalsContact N-O 3.17Å; E460-A552 HydrophobicContact CG-CB 4.03Å; E460-A552 WeakPolarHBondContact OE1-CB 3.35Å; E460-D554 VanDerWaalsContact OE1-CB 3.31Å; E460-D554 WeakPolarHBondContact OE1-CB 3.36Å
461N89.8Confident92.3Very high98 Ų9862.9 Ų62.952%0.52435%0.348SS..SBendtrans55.622.9-175.2-80.2-64.8000113.3L517 D554N461-L517 PolarHBondContact N-O 3.03Å; N461-D554 VanDerWaalsContact ND2-CG 3.29Å; N461-D554 PolarHBondContact ND2-OD2 3.09Å
462N89.8Confident92.4Very high15 Ų1560.3 Ų60.38%0.0834%0.342CS..PPolyproline II helixtrans-66.6152.617962.9-81.6000112.4E460 L466 R515 S516 L517E460-N462 PolarHBondContact O-N 3.23Å; N462-L466 HydrophobicContact CB-CB 4.37Å; N462-L466 HydrophobicContact CB-CD2 3.59Å; N462-R515 PolarHBondContact ND2-O 3.12Å; N462-S516 WeakPolarHBondContact O-CA 3.38Å; N462-S516 VanDerWaalsContact O-CB 3.31Å; N462-S516 WeakPolarHBondContact O-CB 3.45Å; N462-L517 PolarHBondContact OD1-N 3.02Å
463S89.9Confident92.6Very high72 Ų7254.7 Ų54.750%0.50331%0.307SS..PPolyproline II helixtrans-60.4141.4167.156.30000110.9L466S463-L466 VanDerWaalsContact O-CB 3.31Å; S463-L466 WeakPolarHBondContact O-CB 3.14Å; S463-L466 PolarHBondContact O-N 3.18Å
464P87Confident92.6Very high89 Ų8955.9 Ų55.958%0.57831%0.312SS*.THydrogen-bonded Turntrans-53.1147.4162.8-25.635.4000111.4L466P464-L466 VanDerWaalsContact C-N 3.26Å; P464-L466 PolarHBondContact O-N 3.46Å
465A88.1Confident92.6Very high68 Ų6856.3 Ų56.356%0.56232%0.316SS*.THydrogen-bonded Turntrans59.326.1-171.600000115.3H467 A513A465-H467 PolarHBondContact O-N 2.77Å; A465-A513 WeakPolarHBondContact CA-O 3.32Å; A465-A513 PolarHBondContact N-O 2.84Å
466L92.3Very high92.6Very high64 Ų6461.5 Ų61.534%0.33533%0.328SS..EExtended strand (participates in β ladder)trans-64.6129.1169.7176.365.4000110.3V458 N462 S463 P464 I468 F512 A513V458-L466 HydrophobicContact CG1-CD2 4.33Å; N462-L466 HydrophobicContact CB-CB 4.37Å; N462-L466 HydrophobicContact CB-CD2 3.59Å; S463-L466 VanDerWaalsContact O-CB 3.31Å; S463-L466 WeakPolarHBondContact O-CB 3.14Å; S463-L466 PolarHBondContact O-N 3.18Å; P464-L466 VanDerWaalsContact C-N 3.26Å; P464-L466 PolarHBondContact O-N 3.46Å; L466-I468 HydrophobicContact CD2-CG2 4.49Å; L466-I468 HydrophobicContact CG-CG2 4.44Å; L466-I468 PolarHBondContact O-N 3.25Å; L466-F512 CarbonylContact O-C 3.54Å; L466-F512 VanDerWaalsContact O-CA 3.24Å; L466-F512 WeakPolarHBondContact O-CA 3.25Å; L466-A513 PolarHBondContact N-O 2.72Å; L466-A513 PolarHBondContact O-N 3.23Å
467H93.6Very high92.7Very high86 Ų8660.8 Ų60.840%0.39832%0.324SS..EExtended strand (participates in β ladder)trans-69.4115.7167.7176.3-96000110.4A465 G469 H510 F512A465-H467 PolarHBondContact O-N 2.77Å; H467-G469 PolarHBondContact NE2-O 3.04Å; H467-H510 AromaticContact NE2-CD2 3.94Å; H467-H510 AromaticContact NE2-CG 3.79Å; H467-F512 HydrophobicContact CB-CD1 3.98Å; H467-F512 HydrophobicContact CB-CE1 3.84Å
468I92.9Very high92.6Very high18 Ų1857.3 Ų57.39%0.09232%0.316CS..EExtended strand (participates in β ladder)trans-98.6-17.2-174.858.6168.6000113.7L456 V458 L466 V502 L511 A513 V547L456-I468 HydrophobicContact CD1-CD1 4.29Å; L456-I468 HydrophobicContact CD1-CG1 4.25Å; V458-I468 HydrophobicContact CB-CG2 4.36Å; V458-I468 HydrophobicContact CG1-CG2 3.86Å; V458-I468 HydrophobicContact CG2-CB 3.66Å; V458-I468 HydrophobicContact CG2-CG2 3.49Å; V458-I468 VanDerWaalsContact CG2-CG2 3.49Å; L466-I468 HydrophobicContact CD2-CG2 4.49Å; L466-I468 HydrophobicContact CG-CG2 4.44Å; L466-I468 PolarHBondContact O-N 3.25Å; I468-V502 HydrophobicContact CD1-CG1 4.25Å; I468-V502 HydrophobicContact CD1-CG2 4.14Å; I468-L511 HydrophobicContact CD1-CB 4.13Å; I468-L511 HydrophobicContact CG1-CB 3.72Å; I468-L511 WeakPolarHBondContact CG1-O 3.37Å; I468-L511 PolarHBondContact N-O 3.45Å; I468-A513 HydrophobicContact CG2-CB 3.75Å; I468-V547 HydrophobicContact CD1-CG2 4.22Å
469G91.8Very high92.5Very high12 Ų1260.1 Ų60.112%0.12435%0.346CS..EExtended strand (participates in β ladder)trans159.8177.9-179.700000112.1H467 L511H467-G469 PolarHBondContact NE2-O 3.04Å; G469-L511 WeakPolarHBondContact O-CB 3.04Å; G469-L511 PolarHBondContact O-N 3.1Å
470S93.6Very high92.5Very high64 Ų6455 Ų5545%0.44834%0.336SS..EExtended strand (participates in β ladder)trans-133.4135.5179.858.10000110.5G509S470-G509 WeakPolarHBondContact CA-O 3.41Å
471V94.9Very high92.5Very high3 Ų355.8 Ų55.82%0.01834%0.34CS..  trans-99.3154.6164.6-61.70000109.7F449 Y454 Y486 I504 G509 L511 V529 V545F449-V471 HydrophobicContact CD1-CB 4.44Å; F449-V471 HydrophobicContact CE1-CB 4.16Å; F449-V471 HydrophobicContact CE1-CG2 4.03Å; Y454-V471 HydrophobicContact CD1-CG1 4.22Å; Y454-V471 HydrophobicContact CD2-CB 4.45Å; Y454-V471 HydrophobicContact CD2-CG1 3.65Å; Y454-V471 HydrophobicContact CE1-CB 4.47Å; Y454-V471 HydrophobicContact CE1-CG1 4.31Å; Y454-V471 HydrophobicContact CE2-CB 4.06Å; Y454-V471 HydrophobicContact CE2-CG1 3.76Å; Y454-V471 HydrophobicContact CG-CG1 3.89Å; V471-Y486 HydrophobicContact CG2-CD1 4.12Å; V471-Y486 HydrophobicContact CG2-CE1 4.33Å; V471-I504 HydrophobicContact CG2-CD1 3.96Å; V471-G509 PolarHBondContact N-O 3.09Å; V471-L511 HydrophobicContact CG1-CD1 4.13Å; V471-V529 HydrophobicContact CG2-CG1 4.02Å; V471-V545 HydrophobicContact CG1-CG2 3.89Å
472S94.3Very high92.7Very high52 Ų5252.7 Ų52.736%0.36433%0.328SS..  trans-139.3134.7176.9-179.80000110F449 T450 Y454F449-S472 WeakPolarHBondContact CA-O 3.47Å; T450-S472 PolarHBondContact N-O 2.9Å; Y454-S472 PolarHBondContact OH-O 3.43Å; Y454-S472 VanDerWaalsContact OH-O 3.06Å
473A95Very high92.9Very high6 Ų656 Ų565%0.0534%0.343CS..EExtended strand (participates in β ladder)trans-125.8147.4167.900000109.7P447 A448 F449 V484 Y486 A531P447-A473 HydrophobicContact CB-CB 4.34Å; A448-A473 CarbonylContact O-C 3.53Å; A448-A473 WeakPolarHBondContact O-CA 3.3Å; F449-A473 HydrophobicContact CD1-CB 3.85Å; F449-A473 HydrophobicContact CD2-CB 4.39Å; F449-A473 HydrophobicContact CE1-CB 4.14Å; F449-A473 HydrophobicContact CG-CB 4Å; A473-V484 HydrophobicContact CB-CG1 4.3Å; A473-Y486 HydrophobicContact CB-CE1 4.01Å; A473-Y486 PolarHBondContact N-OH 3.39Å; A473-Y486 PolarHBondContact O-OH 3.24Å; A473-Y486 VanDerWaalsContact O-OH 3.12Å; A473-A531 HydrophobicContact CB-CB 3.73Å
474T94.4Very high93.1Very high86 Ų8653.6 Ų53.653%0.52833%0.326SS..EExtended strand (participates in β ladder)trans-126.5130.2178.352.70000108.8A448A448-T474 PolarHBondContact N-O 3.23Å; A448-T474 PolarHBondContact O-N 3.31Å
475D96Very high93.5Very high24 Ų2451 Ų5113%0.12831%0.308CS..  trans-92162.1167.9-142.8-56.6000110.9P447 D477 A482 V484P447-D475 VanDerWaalsContact CA-OD2 3.31Å; P447-D475 WeakPolarHBondContact CA-OD2 3.2Å; P447-D475 WeakPolarHBondContact CD-OD2 3.34Å; P447-D475 WeakPolarHBondContact CG-OD2 3.4Å; D475-D477 PolarHBondContact OD1-N 3.15Å; D475-A482 HydrophobicContact CB-CB 3.86Å; D475-V484 HydrophobicContact CB-CG2 4.07Å
476R94.6Very high93.9Very high176 Ų17648.8 Ų48.866%0.66429%0.285SS*.SBendtrans-104.2-22179-69.3-174170.2-175.7-2.7113.9R409 E410 N445R409-R476 PolarHBondContact NH2-O 2.55Å; E410-R476 HydrophobicContact CG-CB 3.74Å; N445-R476 HydrophobicContact CB-CB 4.16Å
477D95.6Very high94Very high10 Ų1047.9 Ų47.95%0.05329%0.285CS..SBendtrans-66.4-161.8-178.6-61.9-0.9000111.2N443 D444 N445 D475 N481 A482N443-D477 VanDerWaalsContact CA-OD2 3.25Å; N443-D477 WeakPolarHBondContact CA-OD2 3.45Å; D444-D477 PolarHBondContact N-OD2 2.78Å; N445-D477 WeakPolarHBondContact CB-OD1 3.42Å; N445-D477 PolarHBondContact N-OD1 3.41Å; N445-D477 PolarHBondContact N-OD2 2.68Å; N445-D477 PolarHBondContact ND2-OD1 2.84Å; D475-D477 PolarHBondContact OD1-N 3.15Å; D477-N481 HydrophobicContact CB-CB 3.59Å; D477-A482 VanDerWaalsContact C-CB 3.49Å; D477-A482 HydrophobicContact CB-CB 4.45Å; D477-A482 WeakPolarHBondContact O-CB 3.42Å
478S93.3Very high94Very high57 Ų5746.1 Ų46.140%0.39928%0.278SS..  trans-135.8159.4-174.5-164.40000113.5D441 T480 N481 A482D441-S478 VanDerWaalsContact CG-CB 3.49Å; D441-S478 VanDerWaalsContact CG-N 3.26Å; D441-S478 WeakPolarHBondContact OD1-CA 3.25Å; D441-S478 WeakPolarHBondContact OD1-CB 3.42Å; D441-S478 PolarHBondContact OD1-N 3.27Å; D441-S478 PolarHBondContact OD2-N 2.81Å; D441-S478 VanDerWaalsContact OD2-N 3.08Å; S478-T480 PolarHBondContact O-N 2.92Å; S478-T480 VanDerWaalsContact O-N 3.11Å; S478-N481 WeakPolarHBondContact O-CB 3.17Å; S478-N481 PolarHBondContact O-N 3.33Å; S478-A482 PolarHBondContact O-N 2.96Å
479G91.6Very high93.9Very high64 Ų6447.6 Ų47.666%0.6629%0.285SS*.THydrogen-bonded Turntrans57.1-115.6176.600000113.5
480T92.1Very high93.7Very high83 Ų8352.4 Ų52.451%0.50932%0.315SS..THydrogen-bonded Turntrans-76.5-29.1178.345.60000113.3S478 Q483 R534S478-T480 PolarHBondContact O-N 2.92Å; S478-T480 VanDerWaalsContact O-N 3.11Å; T480-Q483 WeakPolarHBondContact O-CB 3.42Å; T480-Q483 PolarHBondContact O-N 3.12Å; T480-Q483 VanDerWaalsContact O-N 3.1Å; T480-R534 CarbonylContact O-C 3.55Å; T480-R534 WeakPolarHBondContact O-CB 3.31Å; T480-R534 PolarHBondContact O-N 2.91Å
481N92.9Very high93.2Very high24 Ų2451.4 Ų51.413%0.12831%0.307CS..THydrogen-bonded Turntrans-68.5-42.8-178.3-62.8-8.6000109.2D441 N443 D477 S478 Q483 D533D441-N481 WeakPolarHBondContact OD2-CB 3.42Å; D441-N481 PolarHBondContact OD2-ND2 3.47Å; N443-N481 HydrophobicContact CB-CB 4.07Å; N443-N481 PolarHBondContact N-ND2 2.85Å; N443-N481 WeakPolarHBondContact OD1-CA 3.42Å; N443-N481 WeakPolarHBondContact OD1-CB 3.39Å; N443-N481 PolarHBondContact OD1-OD1 3.42Å; D477-N481 HydrophobicContact CB-CB 3.59Å; S478-N481 WeakPolarHBondContact O-CB 3.17Å; S478-N481 PolarHBondContact O-N 3.33Å; N481-Q483 PolarHBondContact O-N 3.09Å; N481-D533 WeakPolarHBondContact O-CB 3.46Å
482A93Very high92.3Very high33 Ų3358.6 Ų58.627%0.27334%0.34SS..THydrogen-bonded Turntrans-76.94.8170.400000116.6D475 D477 S478 V484D475-A482 HydrophobicContact CB-CB 3.86Å; D477-A482 VanDerWaalsContact C-CB 3.49Å; D477-A482 HydrophobicContact CB-CB 4.45Å; D477-A482 WeakPolarHBondContact O-CB 3.42Å; S478-A482 PolarHBondContact O-N 2.96Å; A482-V484 PolarHBondContact O-N 2.75Å
483Q94.3Very high91.5Very high84 Ų8460.1 Ų60.139%0.39334%0.344SS..  trans-82.384.8-178.9-168.617422.100112T480 N481 D533 R534T480-Q483 WeakPolarHBondContact O-CB 3.42Å; T480-Q483 PolarHBondContact O-N 3.12Å; T480-Q483 VanDerWaalsContact O-N 3.1Å; N481-Q483 PolarHBondContact O-N 3.09Å; Q483-D533 CarbonylContact O-C 3.57Å; Q483-R534 HydrophobicContact CB-CB 4.46Å; Q483-R534 HydrophobicContact CB-CG 4.45Å; Q483-R534 PolarHBondContact O-N 2.82Å; Q483-R534 VanDerWaalsContact OE1-NH1 3.09Å
484V94.6Very high90.5Very high23 Ų2365.2 Ų65.214%0.13938%0.377CS..  trans-63.4136.5177.1-171.50000112.4P447 A473 D475 A482 Y486 A531P447-V484 HydrophobicContact CB-CG1 4.08Å; P447-V484 HydrophobicContact CB-CG2 3.9Å; P447-V484 HydrophobicContact CG-CG1 4.44Å; P447-V484 HydrophobicContact CG-CG2 4.18Å; A473-V484 HydrophobicContact CB-CG1 4.3Å; D475-V484 HydrophobicContact CB-CG2 4.07Å; A482-V484 PolarHBondContact O-N 2.75Å; V484-Y486 HydrophobicContact CG1-CE1 4.25Å; V484-Y486 HydrophobicContact CG1-CE2 4.15Å; V484-A531 HydrophobicContact CG1-CB 3.83Å
485T95.3Very high89.7Confident33 Ų3369 Ų6920%0.20239%0.388CS..EExtended strand (participates in β ladder)trans-125.3136.7167.856.30000111.1A506 A531 T532 R534T485-A506 WeakPolarHBondContact CA-O 3.31Å; T485-A531 WeakPolarHBondContact O-CA 3.39Å; T485-T532 PolarHBondContact N-O 3.48Å; T485-T532 PolarHBondContact O-N 3.15Å; T485-T532 PolarHBondContact OG1-O 3.34Å; T485-R534 HydrophobicContact CG2-CG 4.37Å; T485-R534 VanDerWaalsContact CG2-NE 3.27Å
486Y95.8Very high89Confident22 Ų2269 Ų699%0.08639%0.388CS..EExtended strand (participates in β ladder)trans-100.1141.1-177-58.5-89.4000112.2F449 V471 A473 V484 I504 A506 G509 G530 A531F449-Y486 HydrophobicContact CE1-CD1 4.21Å; F449-Y486 HydrophobicContact CE1-CE1 4.06Å; F449-Y486 HydrophobicContact CZ-CD1 4.5Å; V471-Y486 HydrophobicContact CG2-CD1 4.12Å; V471-Y486 HydrophobicContact CG2-CE1 4.33Å; A473-Y486 HydrophobicContact CB-CE1 4.01Å; A473-Y486 PolarHBondContact N-OH 3.39Å; A473-Y486 PolarHBondContact O-OH 3.24Å; A473-Y486 VanDerWaalsContact O-OH 3.12Å; V484-Y486 HydrophobicContact CG1-CE1 4.25Å; V484-Y486 HydrophobicContact CG1-CE2 4.15Å; Y486-I504 HydrophobicContact CG-CD1 4.47Å; Y486-A506 WeakPolarHBondContact CD2-O 3.18Å; Y486-A506 PolarHBondContact N-O 3.23Å; Y486-A506 WeakPolarHBondContact O-CA 3.14Å; Y486-G509 VanDerWaalsContact CD2-N 3.35Å; Y486-G530 WeakPolarHBondContact CA-O 3.4Å; Y486-A531 HydrophobicContact CD1-CB 4.31Å; Y486-A531 HydrophobicContact CE1-CB 4.35Å
487S94.8Very high88.5Confident46 Ų4663.9 Ų63.932%0.32238%0.377SS..EExtended strand (participates in β ladder)trans-143.8151.5177.763.80000112.4V529 G530S487-V529 WeakPolarHBondContact O-CA 3.16Å; S487-V529 WeakPolarHBondContact O-CG1 3.32Å; S487-G530 PolarHBondContact N-O 3.02Å; S487-G530 PolarHBondContact O-N 2.93Å
488L93.3Very high88Confident48 Ų4863.7 Ų63.725%0.25138%0.376SS..EExtended strand (participates in β ladder)trans-81.8124.3169.1-64.7179.1000108.8V502 I504 L511 F527 V529L488-V502 VanDerWaalsContact CD1-O 3.3Å; L488-V502 WeakPolarHBondContact CD1-O 3.48Å; L488-I504 HydrophobicContact CD2-CB 4.09Å; L488-I504 HydrophobicContact CD2-CG2 4.15Å; L488-I504 HydrophobicContact CG-CB 4.18Å; L488-I504 HydrophobicContact CG-CG2 3.83Å; L488-L511 HydrophobicContact CD2-CD2 4.17Å; L488-F527 HydrophobicContact CD2-CD2 3.83Å; L488-F527 HydrophobicContact CD2-CE2 3.68Å; L488-V529 HydrophobicContact CD2-CG2 4.19Å
489L91.4Very high87.7Confident49 Ų4965.1 Ų65.126%0.25739%0.392SS..PPolyproline II helixtrans-80.9157.6174.9-62.1177.8000110.4R528 E542L489-R528 HydrophobicContact CB-CB 4.11Å; L489-R528 HydrophobicContact CD1-CB 3.94Å; L489-R528 HydrophobicContact CG-CB 4.49Å; L489-R528 PolarHBondContact N-O 2.97Å; L489-E542 HydrophobicContact CD1-CB 3.75Å
490P86.8Confident87.5Confident113 Ų11364.5 Ų64.573%0.73438%0.377SS*.PPolyproline II helixtrans-54.4133.3176.6-25.935.2000111.5
491P83.3Confident87.3Confident43 Ų4360.9 Ų60.928%0.27936%0.355SS..PPolyproline II helixtrans-64.8145.9179.128-34.6000110.7D493 L496 L498P491-D493 VanDerWaalsContact C-N 3.31Å; P491-L496 HydrophobicContact CB-CD2 4.41Å; P491-L498 HydrophobicContact CB-CB 4.29Å; P491-L498 HydrophobicContact CB-CD2 4.25Å; P491-L498 HydrophobicContact CG-CB 4.18Å
492Q75.8Confident87.3Confident155 Ų15559.8 Ų59.872%0.72435%0.349SS*.SBendtrans-69.9-30.7176.3-68.4-169-24.900112.2P494Q492-P494 WeakPolarHBondContact O-CD 3.23Å
493D77.7Confident87.3Confident83 Ų8360 Ų6044%0.44435%0.348SS..SBendtrans-90.4113.1167.8-178.97000110.1P491 H495 L496P491-D493 VanDerWaalsContact C-N 3.31Å; D493-H495 PolarHBondContact O-N 3.42Å; D493-H495 WeakPolarHBondContact OD1-CB 3.28Å; D493-H495 IonicContact OD1-CD2 3.83Å; D493-H495 IonicContact OD1-CG 2.82Å; D493-H495 PolarHBondContact OD1-N 2.84Å; D493-L496 HydrophobicContact CB-CB 4.27Å; D493-L496 PolarHBondContact O-N 3.43Å
494P74.1Confident87.4Confident114 Ų11457.4 Ų57.474%0.7434%0.337SS*.THydrogen-bonded Turntrans-69.1-11.9177.130.6-36.6000113.6Q492Q492-P494 WeakPolarHBondContact O-CD 3.23Å
495H76.9Confident87.4Confident166 Ų16657.8 Ų57.877%0.76934%0.341SS*.THydrogen-bonded Turntrans-84.6-15.6174.5-63.9-72000113.2D493 P497D493-H495 PolarHBondContact O-N 3.42Å; D493-H495 WeakPolarHBondContact OD1-CB 3.28Å; D493-H495 IonicContact OD1-CD2 3.83Å; D493-H495 IonicContact OD1-CG 2.82Å; D493-H495 PolarHBondContact OD1-N 2.84Å; H495-P497 VanDerWaalsContact O-CD 3.3Å; H495-P497 WeakPolarHBondContact O-CD 3.07Å
496L81.1Confident87.3Confident24 Ų2458.4 Ų58.413%0.12635%0.349CS..SBendtrans-78.2115.5176.4-174.872.7000110.5P491 D493 L498 L501 L522 F525P491-L496 HydrophobicContact CB-CD2 4.41Å; D493-L496 HydrophobicContact CB-CB 4.27Å; D493-L496 PolarHBondContact O-N 3.43Å; L496-L498 HydrophobicContact CD2-CB 4.46Å; L496-L498 PolarHBondContact O-N 2.88Å; L496-L501 HydrophobicContact CD1-CD1 3.69Å; L496-L501 HydrophobicContact CG-CD1 4.2Å; L496-L522 HydrophobicContact CD1-CD2 4.41Å; L496-F525 HydrophobicContact CD1-CB 3.97Å; L496-F525 HydrophobicContact CD2-CB 4.08Å; L496-F525 HydrophobicContact CD2-CD2 4.32Å
497P84.4Confident87.2Confident67 Ų6763.5 Ų63.544%0.43538%0.378SS..  trans-82.255.2-177.236.9-38.5000111.5H495 A499 S500 L501H495-P497 VanDerWaalsContact O-CD 3.3Å; H495-P497 WeakPolarHBondContact O-CD 3.07Å; P497-A499 VanDerWaalsContact C-N 3.32Å; P497-A499 PolarHBondContact O-N 2.91Å; P497-A499 VanDerWaalsContact O-N 3.16Å; P497-S500 PolarHBondContact O-N 3.4Å; P497-S500 PolarHBondContact O-OG 2.92Å; P497-L501 HydrophobicContact CG-CD1 4.31Å; P497-L501 PolarHBondContact O-N 2.75Å
498L86.4Confident87Confident7 Ų764.8 Ų64.84%0.03738%0.381CS..G310 helixtrans-48.5-46.3-168.9178.664.2000113.8P491 L496 S500 L501 V502 F525 F527P491-L498 HydrophobicContact CB-CB 4.29Å; P491-L498 HydrophobicContact CB-CD2 4.25Å; P491-L498 HydrophobicContact CG-CB 4.18Å; L496-L498 HydrophobicContact CD2-CB 4.46Å; L496-L498 PolarHBondContact O-N 2.88Å; L498-S500 PolarHBondContact O-N 2.92Å; L498-L501 PolarHBondContact O-N 2.85Å; L498-V502 HydrophobicContact CD1-CB 4.37Å; L498-V502 PolarHBondContact O-N 3.45Å; L498-F525 HydrophobicContact CD1-CE2 4.44Å; L498-F527 HydrophobicContact CD1-CB 3.74Å; L498-F527 HydrophobicContact CD1-CD1 3.66Å; L498-F527 HydrophobicContact CD1-CD2 4.34Å; L498-F527 HydrophobicContact CD1-CE1 4.31Å; L498-F527 HydrophobicContact CD1-CG 3.67Å; L498-F527 HydrophobicContact CD2-CB 3.5Å; L498-F527 VanDerWaalsContact CD2-CB 3.5Å; L498-F527 HydrophobicContact CD2-CD2 4.46Å; L498-F527 HydrophobicContact CD2-CG 4.08Å; L498-F527 HydrophobicContact CG-CB 4.27Å
499A85.4Confident87Confident87 Ų8762.5 Ų62.572%0.71937%0.369SS*.G310 helixtrans-63.1-8.2-179.600000114.7P497 L514P497-A499 VanDerWaalsContact C-N 3.32Å; P497-A499 PolarHBondContact O-N 2.91Å; P497-A499 VanDerWaalsContact O-N 3.16Å; A499-L514 WeakPolarHBondContact O-CD1 3.49Å
500S87.6Confident87.2Confident51 Ų5163.4 Ų63.436%0.35737%0.372SS..G310 helixtrans-114-1.4173.470.20000113.4P497 L498 R515P497-S500 PolarHBondContact O-N 3.4Å; P497-S500 PolarHBondContact O-OG 2.92Å; L498-S500 PolarHBondContact O-N 2.92Å; S500-R515 PolarHBondContact O-NE 2.79Å; S500-R515 PolarHBondContact OG-NH2 3.17Å
501L88.8Confident87.6Confident6 Ų658 Ų583%0.03134%0.337CS..THydrogen-bonded Turntrans-99.9-47.4174.3-72166.6000110.3L496 P497 L498 A513 L514 R515 L517 L522L496-L501 HydrophobicContact CD1-CD1 3.69Å; L496-L501 HydrophobicContact CG-CD1 4.2Å; P497-L501 HydrophobicContact CG-CD1 4.31Å; P497-L501 PolarHBondContact O-N 2.75Å; L498-L501 PolarHBondContact O-N 2.85Å; L501-A513 CarbonylContact O-C 3.54Å; L501-A513 WeakPolarHBondContact O-CA 3.4Å; L501-L514 PolarHBondContact O-N 3.3Å; L501-R515 HydrophobicContact CD2-CG 4.44Å; L501-L517 HydrophobicContact CD2-CD2 3.86Å; L501-L522 HydrophobicContact CD1-CD2 4.03Å; L501-L522 HydrophobicContact CD2-CD2 4.31Å
502V92.9Very high88.1Confident2 Ų258.8 Ų58.81%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-133.6144.3-172.9-179.60000110.7I468 L488 L498 L511 F512 F525 F527I468-V502 HydrophobicContact CD1-CG1 4.25Å; I468-V502 HydrophobicContact CD1-CG2 4.14Å; L488-V502 VanDerWaalsContact CD1-O 3.3Å; L488-V502 WeakPolarHBondContact CD1-O 3.48Å; L498-V502 HydrophobicContact CD1-CB 4.37Å; L498-V502 PolarHBondContact O-N 3.45Å; V502-L511 HydrophobicContact CG1-CB 4.45Å; V502-L511 HydrophobicContact CG1-CD2 3.8Å; V502-F512 CarbonylContact C-O 3.59Å; V502-F512 VanDerWaalsContact CA-O 3.27Å; V502-F512 WeakPolarHBondContact CA-O 3.44Å; V502-F525 HydrophobicContact CG2-CE2 3.69Å; V502-F525 HydrophobicContact CG2-CZ 3.8Å; V502-F527 HydrophobicContact CB-CZ 4.47Å; V502-F527 HydrophobicContact CG1-CE2 4.46Å; V502-F527 HydrophobicContact CG1-CZ 3.94Å; V502-F527 HydrophobicContact CG2-CE1 4.21Å; V502-F527 HydrophobicContact CG2-CZ 4.43Å
503S93.8Very high88.9Confident37 Ų3751.4 Ų51.426%0.25930%0.302SS..EExtended strand (participates in β ladder)trans-120.1157.9162.262.60000110.8L511 F512S503-L511 WeakPolarHBondContact O-CA 3.41Å; S503-F512 PolarHBondContact N-O 3.45Å; S503-F512 PolarHBondContact O-N 2.81Å
504I95.4Very high89.5Confident29 Ų2950.9 Ų50.915%0.14930%0.298CS..EExtended strand (participates in β ladder)trans-120.3142.8170.7-162.7167.3000110.1V471 Y486 L488 H510 L511 V529V471-I504 HydrophobicContact CG2-CD1 3.96Å; Y486-I504 HydrophobicContact CG-CD1 4.47Å; L488-I504 HydrophobicContact CD2-CB 4.09Å; L488-I504 HydrophobicContact CD2-CG2 4.15Å; L488-I504 HydrophobicContact CG-CB 4.18Å; L488-I504 HydrophobicContact CG-CG2 3.83Å; I504-H510 CarbonylContact C-O 3.55Å; I504-H510 WeakPolarHBondContact CA-O 3.39Å; I504-L511 HydrophobicContact CB-CD2 3.82Å; I504-L511 HydrophobicContact CD1-CD2 3.89Å; I504-L511 HydrophobicContact CD1-CG 4.41Å; I504-L511 HydrophobicContact CG1-CD2 3.82Å; I504-L511 HydrophobicContact CG1-CG 4.34Å; I504-V529 HydrophobicContact CD1-CB 4.45Å; I504-V529 HydrophobicContact CD1-CG1 3.36Å; I504-V529 HydrophobicContact CD1-CG2 4.2Å
505S94.9Very high90.3Very high32 Ų3250.3 Ų50.322%0.22428%0.281CS..  trans-81.6120.6168.5170.20000110D507 N508 G509 H510S505-D507 PolarHBondContact O-N 3.25Å; S505-N508 WeakPolarHBondContact CB-OD1 3.24Å; S505-N508 PolarHBondContact OG-OD1 2.89Å; S505-G509 PolarHBondContact O-N 2.84Å; S505-H510 PolarHBondContact N-O 2.9Å
506A93.8Very high91Very high46 Ų4645.5 Ų45.538%0.3827%0.266SS..THydrogen-bonded Turntrans-65.6-23.3-173.300000114.1T485 Y486T485-A506 WeakPolarHBondContact CA-O 3.31Å; Y486-A506 WeakPolarHBondContact CD2-O 3.18Å; Y486-A506 PolarHBondContact N-O 3.23Å; Y486-A506 WeakPolarHBondContact O-CA 3.14Å
507D92.3Very high91.5Very high129 Ų12944.7 Ų44.769%0.6926%0.262SS*.THydrogen-bonded Turntrans-95.7-20.9-173.7-55.6-43.8000113.7S505S505-D507 PolarHBondContact O-N 3.25Å
508N91.4Very high91.8Very high73 Ų7345.3 Ų45.339%0.3926%0.262SS..THydrogen-bonded Turntrans-140.86.4-171.969.89.6000115.4S505 H510S505-N508 WeakPolarHBondContact CB-OD1 3.24Å; S505-N508 PolarHBondContact OG-OD1 2.89Å; N508-H510 PolarHBondContact O-N 3.34Å; N508-H510 VanDerWaalsContact O-N 3.09Å; N508-H510 PolarHBondContact O-ND1 3.47Å; N508-H510 WeakPolarHBondContact OD1-CB 3.41Å; N508-H510 VanDerWaalsContact OD1-CG 3.32Å; N508-H510 PolarHBondContact OD1-N 2.92Å
509G92.8Very high92.2Very high0 Ų046.9 Ų46.90%027%0.268CS..  trans66.212.8173.700000115.3S470 V471 Y486 S505S470-G509 WeakPolarHBondContact CA-O 3.41Å; V471-G509 PolarHBondContact N-O 3.09Å; Y486-G509 VanDerWaalsContact CD2-N 3.35Å; S505-G509 PolarHBondContact O-N 2.84Å
510H95.1Very high92.5Very high67 Ų6746 Ų4631%0.3125%0.248SC..EExtended strand (participates in β ladder)trans-73.2131.3177-68.613.2000111H467 I504 S505 N508 F512H467-H510 AromaticContact NE2-CD2 3.94Å; H467-H510 AromaticContact NE2-CG 3.79Å; I504-H510 CarbonylContact C-O 3.55Å; I504-H510 WeakPolarHBondContact CA-O 3.39Å; S505-H510 PolarHBondContact N-O 2.9Å; N508-H510 PolarHBondContact O-N 3.34Å; N508-H510 VanDerWaalsContact O-N 3.09Å; N508-H510 PolarHBondContact O-ND1 3.47Å; N508-H510 WeakPolarHBondContact OD1-CB 3.41Å; N508-H510 VanDerWaalsContact OD1-CG 3.32Å; N508-H510 PolarHBondContact OD1-N 2.92Å; H510-F512 HydrophobicContact CB-CE2 3.67Å; H510-F512 HydrophobicContact CB-CZ 3.95Å
511L94.9Very high92.6Very high0 Ų047.1 Ų47.10%026%0.261CS..EExtended strand (participates in β ladder)trans-102.7135.6-179.7-69.5163.1000110.5L456 I468 G469 V471 L488 V502 S503 I504 F527 V545L456-L511 HydrophobicContact CD1-CD1 3.78Å; I468-L511 HydrophobicContact CD1-CB 4.13Å; I468-L511 HydrophobicContact CG1-CB 3.72Å; I468-L511 WeakPolarHBondContact CG1-O 3.37Å; I468-L511 PolarHBondContact N-O 3.45Å; G469-L511 WeakPolarHBondContact O-CB 3.04Å; G469-L511 PolarHBondContact O-N 3.1Å; V471-L511 HydrophobicContact CG1-CD1 4.13Å; L488-L511 HydrophobicContact CD2-CD2 4.17Å; V502-L511 HydrophobicContact CG1-CB 4.45Å; V502-L511 HydrophobicContact CG1-CD2 3.8Å; S503-L511 WeakPolarHBondContact O-CA 3.41Å; I504-L511 HydrophobicContact CB-CD2 3.82Å; I504-L511 HydrophobicContact CD1-CD2 3.89Å; I504-L511 HydrophobicContact CD1-CG 4.41Å; I504-L511 HydrophobicContact CG1-CD2 3.82Å; I504-L511 HydrophobicContact CG1-CG 4.34Å; L511-F527 HydrophobicContact CD1-CZ 4.3Å; L511-F527 HydrophobicContact CD2-CE2 3.97Å; L511-F527 HydrophobicContact CD2-CZ 4.12Å; L511-V545 HydrophobicContact CD1-CG1 4.09Å; L511-V545 HydrophobicContact CD1-CG2 4.39Å
512F93.9Very high92.6Very high60 Ų6049 Ų4926%0.26327%0.271SS..EExtended strand (participates in β ladder)trans-128.4134.6-179.1-58.7-93.4000111.3L466 H467 V502 S503 H510L466-F512 CarbonylContact O-C 3.54Å; L466-F512 VanDerWaalsContact O-CA 3.24Å; L466-F512 WeakPolarHBondContact O-CA 3.25Å; H467-F512 HydrophobicContact CB-CD1 3.98Å; H467-F512 HydrophobicContact CB-CE1 3.84Å; V502-F512 CarbonylContact C-O 3.59Å; V502-F512 VanDerWaalsContact CA-O 3.27Å; V502-F512 WeakPolarHBondContact CA-O 3.44Å; S503-F512 PolarHBondContact N-O 3.45Å; S503-F512 PolarHBondContact O-N 2.81Å; H510-F512 HydrophobicContact CB-CE2 3.67Å; H510-F512 HydrophobicContact CB-CZ 3.95Å
513A93.2Very high92.6Very high0 Ų053.7 Ų53.70%029%0.293CS..EExtended strand (participates in β ladder)trans-77119.3169.300000109.8A465 L466 I468 L501 R515A465-A513 WeakPolarHBondContact CA-O 3.32Å; A465-A513 PolarHBondContact N-O 2.84Å; L466-A513 PolarHBondContact N-O 2.72Å; L466-A513 PolarHBondContact O-N 3.23Å; I468-A513 HydrophobicContact CG2-CB 3.75Å; L501-A513 CarbonylContact O-C 3.54Å; L501-A513 WeakPolarHBondContact O-CA 3.4Å; A513-R515 VanDerWaalsContact C-N 3.32Å; A513-R515 PolarHBondContact O-N 3.29Å
514L91.3Very high92.5Very high72 Ų7256.5 Ų56.538%0.37730%0.302SS..SBendtrans-77.4-17.3-175.9-69.1176000113.7A499 L501A499-L514 WeakPolarHBondContact O-CD1 3.49Å; L501-L514 PolarHBondContact O-N 3.3Å
515R89.9Confident92.3Very high101 Ų10155.6 Ų55.638%0.38130%0.297SS..SBendtrans-141.9169.1177.652.9172.3139.4153-3.9110.8N462 S500 L501 A513 L517N462-R515 PolarHBondContact ND2-O 3.12Å; S500-R515 PolarHBondContact O-NE 2.79Å; S500-R515 PolarHBondContact OG-NH2 3.17Å; L501-R515 HydrophobicContact CD2-CG 4.44Å; A513-R515 VanDerWaalsContact C-N 3.32Å; A513-R515 PolarHBondContact O-N 3.29Å; R515-L517 PolarHBondContact O-N 2.71Å
516S91.4Very high92.2Very high65 Ų6558.6 Ų58.646%0.45531%0.307SS..  trans-60.5130.2163.150.20000109.5N462N462-S516 WeakPolarHBondContact O-CA 3.38Å; N462-S516 VanDerWaalsContact O-CB 3.31Å; N462-S516 WeakPolarHBondContact O-CB 3.45Å
517L91.9Very high92.1Very high7 Ų756.6 Ų56.64%0.03729%0.29CS..  trans-84.8156.3165.5-57.3178.2000109V458 E460 N461 N462 L501 R515 F525 V549V458-L517 HydrophobicContact CB-CD1 4.19Å; V458-L517 HydrophobicContact CG1-CD1 3.87Å; E460-L517 WeakPolarHBondContact CA-O 3.14Å; E460-L517 WeakPolarHBondContact CB-O 3.05Å; N461-L517 PolarHBondContact N-O 3.03Å; N462-L517 PolarHBondContact OD1-N 3.02Å; L501-L517 HydrophobicContact CD2-CD2 3.86Å; R515-L517 PolarHBondContact O-N 2.71Å; L517-F525 HydrophobicContact CD1-CE1 4.15Å; L517-F525 HydrophobicContact CD2-CE1 4.34Å; L517-V549 HydrophobicContact CB-CG1 4.29Å; L517-V549 HydrophobicContact CB-CG2 4.24Å; L517-V549 HydrophobicContact CD1-CG2 3.85Å
518D91.8Very high92.2Very high81 Ų8153.9 Ų53.943%0.43327%0.27SS..  trans-137.5117.6-171.6161.6-22.7000104.2E520 A521 L522D518-E520 PolarHBondContact OD1-N 2.9Å; D518-A521 HydrophobicContact CB-CB 4.12Å; D518-A521 VanDerWaalsContact CG-CB 3.45Å; D518-A521 VanDerWaalsContact OD1-CB 3.28Å; D518-A521 WeakPolarHBondContact OD1-CB 3.22Å; D518-A521 PolarHBondContact OD1-N 2.89Å; D518-L522 PolarHBondContact O-N 2.78Å
519Y93.1Very high92.4Very high39 Ų3950.4 Ų50.415%0.15325%0.252CS..THydrogen-bonded Turntrans-71.3-39-171.9178.6-93000111.5E460 A521 L522 Q523 V549 D551E460-Y519 WeakPolarHBondContact OE2-CB 3.12Å; E460-Y519 PolarHBondContact OE2-N 3.2Å; Y519-A521 PolarHBondContact O-N 2.96Å; Y519-L522 PolarHBondContact O-N 2.86Å; Y519-Q523 HydrophobicContact CD1-CG 4.22Å; Y519-Q523 HydrophobicContact CD2-CB 4.37Å; Y519-Q523 HydrophobicContact CD2-CG 4.1Å; Y519-Q523 HydrophobicContact CE1-CG 3.92Å; Y519-Q523 HydrophobicContact CE2-CB 4.01Å; Y519-Q523 HydrophobicContact CE2-CG 3.81Å; Y519-Q523 HydrophobicContact CG-CG 4.31Å; Y519-Q523 WeakPolarHBondContact O-CG 3.2Å; Y519-Q523 PolarHBondContact O-N 2.81Å; Y519-V549 HydrophobicContact CD2-CB 4.14Å; Y519-V549 HydrophobicContact CD2-CG1 4.13Å; Y519-V549 WeakPolarHBondContact CD2-O 3.27Å; Y519-V549 WeakPolarHBondContact CE2-O 3.3Å; Y519-D551 HydrophobicContact CD1-CB 3.84Å; Y519-D551 HydrophobicContact CD2-CB 3.94Å; Y519-D551 HydrophobicContact CE1-CB 3.98Å; Y519-D551 HydrophobicContact CE2-CB 4.05Å; Y519-D551 HydrophobicContact CG-CB 3.83Å
520E92.2Very high92.5Very high68 Ų6850.5 Ų50.532%0.31825%0.253SS..THydrogen-bonded Turntrans-63.4-32.1178.5-70.962.2-120.300111.8D518 N555 G592D518-E520 PolarHBondContact OD1-N 2.9Å; E520-N555 PolarHBondContact OE2-ND2 2.87Å; E520-G592 WeakPolarHBondContact CG-O 3.12Å
521A89.7Confident92.5Very high76 Ų7647.3 Ų47.363%0.62824%0.238SC*.THydrogen-bonded Turntrans-85.8-37.9176.600000114.1D518 Y519D518-A521 HydrophobicContact CB-CB 4.12Å; D518-A521 VanDerWaalsContact CG-CB 3.45Å; D518-A521 VanDerWaalsContact OD1-CB 3.28Å; D518-A521 WeakPolarHBondContact OD1-CB 3.22Å; D518-A521 PolarHBondContact OD1-N 2.89Å; Y519-A521 PolarHBondContact O-N 2.96Å
522L89.6Confident92.5Very high46 Ų4649.3 Ų49.324%0.24125%0.251CS..  trans-151.487-174.2-171.965.1000112.9L496 L501 D518 Y519 E524 F525 V549L496-L522 HydrophobicContact CD1-CD2 4.41Å; L501-L522 HydrophobicContact CD1-CD2 4.03Å; L501-L522 HydrophobicContact CD2-CD2 4.31Å; D518-L522 PolarHBondContact O-N 2.78Å; Y519-L522 PolarHBondContact O-N 2.86Å; L522-E524 WeakPolarHBondContact CD1-O 3.17Å; L522-F525 HydrophobicContact CD1-CB 4.43Å; L522-F525 HydrophobicContact CD2-CB 4.35Å; L522-F525 HydrophobicContact CD2-CD1 3.58Å; L522-F525 HydrophobicContact CD2-CE1 4.15Å; L522-F525 HydrophobicContact CD2-CG 4.16Å; L522-F525 HydrophobicContact CG-CD1 4.03Å; L522-V549 WeakPolarHBondContact O-CG2 3.26Å
523Q91.6Very high92.6Very high100 Ų10046.7 Ų46.747%0.46724%0.239SC..SBendtrans-66.8-35.8180-60.7-177.9-10.600113.8Y519 V549Y519-Q523 HydrophobicContact CD1-CG 4.22Å; Y519-Q523 HydrophobicContact CD2-CB 4.37Å; Y519-Q523 HydrophobicContact CD2-CG 4.1Å; Y519-Q523 HydrophobicContact CE1-CG 3.92Å; Y519-Q523 HydrophobicContact CE2-CB 4.01Å; Y519-Q523 HydrophobicContact CE2-CG 3.81Å; Y519-Q523 HydrophobicContact CG-CG 4.31Å; Y519-Q523 WeakPolarHBondContact O-CG 3.2Å; Y519-Q523 PolarHBondContact O-N 2.81Å; Q523-V549 WeakPolarHBondContact O-CB 3.4Å; Q523-V549 PolarHBondContact O-N 2.88Å
524E91.9Very high92.6Very high95 Ų9552.3 Ų52.344%0.44426%0.261SS..EExtended strand (participates in β ladder)trans-149.9154.717768.9175.3158.800112.7L522 R546 V547 L548L522-E524 WeakPolarHBondContact CD1-O 3.17Å; E524-R546 IonicContact OE1-NH2 2.8Å; E524-R546 IonicContact OE2-CZ 3Å; E524-R546 IonicContact OE2-NE 3.55Å; E524-R546 PolarHBondContact OE2-NE 2.93Å; E524-R546 IonicContact OE2-NH2 2.77Å; E524-R546 PolarHBondContact OE2-NH2 3.34Å; E524-V547 WeakPolarHBondContact CA-O 3.34Å; E524-L548 HydrophobicContact CB-CD2 3.74Å
525F91.6Very high92.6Very high11 Ų1149.2 Ų49.25%0.04825%0.246CC..EExtended strand (participates in β ladder)trans-152.7151.5167.160.8-81.2000111.5L496 L498 V502 L517 L522 F527 V547L496-F525 HydrophobicContact CD1-CB 3.97Å; L496-F525 HydrophobicContact CD2-CB 4.08Å; L496-F525 HydrophobicContact CD2-CD2 4.32Å; L498-F525 HydrophobicContact CD1-CE2 4.44Å; V502-F525 HydrophobicContact CG2-CE2 3.69Å; V502-F525 HydrophobicContact CG2-CZ 3.8Å; L517-F525 HydrophobicContact CD1-CE1 4.15Å; L517-F525 HydrophobicContact CD2-CE1 4.34Å; L522-F525 HydrophobicContact CD1-CB 4.43Å; L522-F525 HydrophobicContact CD2-CB 4.35Å; L522-F525 HydrophobicContact CD2-CD1 3.58Å; L522-F525 HydrophobicContact CD2-CE1 4.15Å; L522-F525 HydrophobicContact CD2-CG 4.16Å; L522-F525 HydrophobicContact CG-CD1 4.03Å; F525-F527 AromaticContact CD2-CD1 3.95Å; F525-F527 HydrophobicContact CD2-CD1 3.95Å; F525-F527 HydrophobicContact CD2-CE1 4.24Å; F525-F527 AromaticContact CE2-CD1 3.91Å; F525-F527 HydrophobicContact CE2-CD1 3.91Å; F525-F527 AromaticContact CE2-CE1 3.77Å; F525-F527 HydrophobicContact CE2-CE1 3.77Å; F525-V547 HydrophobicContact CD1-CB 4.19Å; F525-V547 HydrophobicContact CD1-CG1 4.43Å; F525-V547 HydrophobicContact CD2-CB 4.45Å; F525-V547 HydrophobicContact CE1-CB 3.76Å; F525-V547 HydrophobicContact CE1-CG1 3.66Å; F525-V547 HydrophobicContact CE2-CB 4.05Å; F525-V547 HydrophobicContact CE2-CG2 4.05Å; F525-V547 HydrophobicContact CZ-CB 3.68Å; F525-V547 HydrophobicContact CZ-CG1 3.76Å; F525-V547 HydrophobicContact CZ-CG2 3.95Å; F525-V547 PolarHBondContact N-O 3.25Å; F525-V547 VanDerWaalsContact N-O 3.1Å; F525-V547 PolarHBondContact O-N 2.92Å
526E92.4Very high92.5Very high94 Ų9450 Ų5044%0.43927%0.266SS..EExtended strand (participates in β ladder)trans-121.3142.2-180-64.6-169.216800111.2L544 V545 R546E526-L544 HydrophobicContact CB-CD1 4.27Å; E526-V545 WeakPolarHBondContact CA-O 3.46Å; E526-R546 HydrophobicContact CG-CB 3.95Å; E526-R546 HydrophobicContact CG-CG 3.83Å; E526-R546 VanDerWaalsContact OE1-CD 3.29Å; E526-R546 WeakPolarHBondContact OE1-CD 3.31Å; E526-R546 IonicContact OE1-NE 3.54Å
527F92.6Very high92.5Very high4 Ų451.6 Ų51.62%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-146.8162.9173.658.7-87000111.1L488 L498 V502 L511 F525 V529 V545 V547L488-F527 HydrophobicContact CD2-CD2 3.83Å; L488-F527 HydrophobicContact CD2-CE2 3.68Å; L498-F527 HydrophobicContact CD1-CB 3.74Å; L498-F527 HydrophobicContact CD1-CD1 3.66Å; L498-F527 HydrophobicContact CD1-CD2 4.34Å; L498-F527 HydrophobicContact CD1-CE1 4.31Å; L498-F527 HydrophobicContact CD1-CG 3.67Å; L498-F527 HydrophobicContact CD2-CB 3.5Å; L498-F527 VanDerWaalsContact CD2-CB 3.5Å; L498-F527 HydrophobicContact CD2-CD2 4.46Å; L498-F527 HydrophobicContact CD2-CG 4.08Å; L498-F527 HydrophobicContact CG-CB 4.27Å; V502-F527 HydrophobicContact CB-CZ 4.47Å; V502-F527 HydrophobicContact CG1-CE2 4.46Å; V502-F527 HydrophobicContact CG1-CZ 3.94Å; V502-F527 HydrophobicContact CG2-CE1 4.21Å; V502-F527 HydrophobicContact CG2-CZ 4.43Å; L511-F527 HydrophobicContact CD1-CZ 4.3Å; L511-F527 HydrophobicContact CD2-CE2 3.97Å; L511-F527 HydrophobicContact CD2-CZ 4.12Å; F525-F527 AromaticContact CD2-CD1 3.95Å; F525-F527 HydrophobicContact CD2-CD1 3.95Å; F525-F527 HydrophobicContact CD2-CE1 4.24Å; F525-F527 AromaticContact CE2-CD1 3.91Å; F525-F527 HydrophobicContact CE2-CD1 3.91Å; F525-F527 AromaticContact CE2-CE1 3.77Å; F525-F527 HydrophobicContact CE2-CE1 3.77Å; F527-V529 HydrophobicContact CD2-CG2 4.02Å; F527-V529 HydrophobicContact CE2-CG2 3.73Å; F527-V545 HydrophobicContact CD2-CB 4.19Å; F527-V545 HydrophobicContact CE1-CB 4.2Å; F527-V545 HydrophobicContact CE1-CG1 4Å; F527-V545 HydrophobicContact CE2-CB 3.78Å; F527-V545 HydrophobicContact CE2-CG1 4.08Å; F527-V545 HydrophobicContact CE2-CG2 4.17Å; F527-V545 HydrophobicContact CZ-CB 3.78Å; F527-V545 HydrophobicContact CZ-CG1 3.59Å; F527-V545 PolarHBondContact N-O 2.76Å; F527-V545 PolarHBondContact O-N 3.48Å; F527-V547 HydrophobicContact CE1-CG2 3.73Å; F527-V547 HydrophobicContact CZ-CG2 4.38Å
528R93.9Very high92.6Very high72 Ų7254 Ų5427%0.27230%0.296SS..EExtended strand (participates in β ladder)trans-103.2138.7175.4-61.4-177.3-174.1-101.5-17110.2L489 E542 A543 L544L489-R528 HydrophobicContact CB-CB 4.11Å; L489-R528 HydrophobicContact CD1-CB 3.94Å; L489-R528 HydrophobicContact CG-CB 4.49Å; L489-R528 PolarHBondContact N-O 2.97Å; R528-E542 VanDerWaalsContact CD-OE2 3.32Å; R528-E542 WeakPolarHBondContact CD-OE2 3.18Å; R528-E542 IonicContact CZ-OE1 2.67Å; R528-E542 IonicContact NE-OE1 3.05Å; R528-E542 IonicContact NH1-OE1 3.27Å; R528-E542 PolarHBondContact NH1-OE1 2.94Å; R528-A543 WeakPolarHBondContact CA-O 3.14Å; R528-L544 HydrophobicContact CG-CD1 4.24Å
529V94.8Very high92.8Very high0 Ų052.7 Ų52.70%029%0.289CS..EExtended strand (participates in β ladder)trans-106.6128.5170.2-178.50000107.8F449 V471 S487 L488 I504 F527 E542 A543 V545F449-V529 HydrophobicContact CE1-CG1 4.38Å; F449-V529 HydrophobicContact CZ-CB 4.38Å; F449-V529 HydrophobicContact CZ-CG1 4.11Å; F449-V529 WeakPolarHBondContact CZ-O 3.32Å; V471-V529 HydrophobicContact CG2-CG1 4.02Å; S487-V529 WeakPolarHBondContact O-CA 3.16Å; S487-V529 WeakPolarHBondContact O-CG1 3.32Å; L488-V529 HydrophobicContact CD2-CG2 4.19Å; I504-V529 HydrophobicContact CD1-CB 4.45Å; I504-V529 HydrophobicContact CD1-CG1 3.36Å; I504-V529 HydrophobicContact CD1-CG2 4.2Å; F527-V529 HydrophobicContact CD2-CG2 4.02Å; F527-V529 HydrophobicContact CE2-CG2 3.73Å; V529-E542 VanDerWaalsContact O-CA 3.27Å; V529-E542 WeakPolarHBondContact O-CA 3.3Å; V529-A543 PolarHBondContact N-O 2.83Å; V529-A543 PolarHBondContact O-N 3.48Å; V529-V545 HydrophobicContact CG2-CG2 3.65Å
530G94.8Very high92.9Very high3 Ų354.4 Ų54.43%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-93138.117200000110.6Y486 S487 S541Y486-G530 WeakPolarHBondContact CA-O 3.4Å; S487-G530 PolarHBondContact N-O 3.02Å; S487-G530 PolarHBondContact O-N 2.93Å; G530-S541 WeakPolarHBondContact CA-O 3.41Å
531A96.1Very high93Very high0 Ų052.9 Ų52.90%030%0.303CS..EExtended strand (participates in β ladder)trans-112.7124.2164.200000107.6P447 F449 A473 V484 T485 Y486 S540 S541P447-A531 HydrophobicContact CB-CB 3.93Å; F449-A531 HydrophobicContact CD2-CB 4.36Å; F449-A531 HydrophobicContact CE1-CB 4.18Å; F449-A531 HydrophobicContact CE2-CB 3.54Å; F449-A531 HydrophobicContact CZ-CB 3.44Å; F449-A531 VanDerWaalsContact CZ-CB 3.44Å; A473-A531 HydrophobicContact CB-CB 3.73Å; V484-A531 HydrophobicContact CG1-CB 3.83Å; T485-A531 WeakPolarHBondContact O-CA 3.39Å; Y486-A531 HydrophobicContact CD1-CB 4.31Å; Y486-A531 HydrophobicContact CE1-CB 4.35Å; A531-S540 CarbonylContact O-C 3.6Å; A531-S540 WeakPolarHBondContact O-CA 3.4Å; A531-S540 VanDerWaalsContact O-CB 3.3Å; A531-S540 WeakPolarHBondContact O-CB 3.46Å; A531-S541 PolarHBondContact N-O 2.83Å; A531-S541 PolarHBondContact O-N 2.88Å
532T95.4Very high93.3Very high42 Ų4254 Ų5426%0.25830%0.296SS..EExtended strand (participates in β ladder)trans-126.6133.8-178.1-50.90000108.7T485 A538 L539T485-T532 PolarHBondContact N-O 3.48Å; T485-T532 PolarHBondContact O-N 3.15Å; T485-T532 PolarHBondContact OG1-O 3.34Å; T532-A538 HydrophobicContact CG2-CB 4.2Å; T532-L539 WeakPolarHBondContact CA-O 3.34Å; T532-L539 WeakPolarHBondContact CG2-O 2.77Å
533D95.8Very high93.5Very high5 Ų552 Ų523%0.02729%0.285CS..  trans-69.5-170.717362.242.4000112.5N443 P447 N481 Q483 G535 A538 L539N443-D533 PolarHBondContact ND2-OD2 2.89Å; N443-D533 PolarHBondContact OD1-OD2 3.03Å; P447-D533 HydrophobicContact CG-CB 4.01Å; N481-D533 WeakPolarHBondContact O-CB 3.46Å; Q483-D533 CarbonylContact O-C 3.57Å; D533-G535 WeakPolarHBondContact OD1-CA 3.33Å; D533-G535 PolarHBondContact OD1-N 2.79Å; D533-A538 WeakPolarHBondContact OD1-CA 3.28Å; D533-A538 VanDerWaalsContact OD1-CB 3.28Å; D533-A538 WeakPolarHBondContact OD1-CB 3.39Å; D533-L539 VanDerWaalsContact CG-N 3.26Å; D533-L539 PolarHBondContact N-O 3.4Å; D533-L539 VanDerWaalsContact N-O 3.09Å; D533-L539 PolarHBondContact OD1-N 2.74Å; D533-L539 VanDerWaalsContact OD1-N 3.12Å; D533-L539 VanDerWaalsContact OD2-CA 3.23Å; D533-L539 WeakPolarHBondContact OD2-CA 3.27Å; D533-L539 WeakPolarHBondContact OD2-CB 3.34Å; D533-L539 PolarHBondContact OD2-N 2.86Å
534R93.1Very high93.7Very high118 Ų11849 Ų4945%0.44527%0.273SS..SBendtrans-119.430.4167-64.7-179.5-179.3-175.9-1.4112.1T480 Q483 T485T480-R534 CarbonylContact O-C 3.55Å; T480-R534 WeakPolarHBondContact O-CB 3.31Å; T480-R534 PolarHBondContact O-N 2.91Å; Q483-R534 HydrophobicContact CB-CB 4.46Å; Q483-R534 HydrophobicContact CB-CG 4.45Å; Q483-R534 PolarHBondContact O-N 2.82Å; Q483-R534 VanDerWaalsContact OE1-NH1 3.09Å; T485-R534 HydrophobicContact CG2-CG 4.37Å; T485-R534 VanDerWaalsContact CG2-NE 3.27Å
535G90.8Very high93.8Very high6 Ų644.5 Ų44.56%0.06225%0.252CS..  trans-69-179.1174.500000114N443 D533 P537N443-G535 WeakPolarHBondContact OD1-CA 3.39Å; D533-G535 WeakPolarHBondContact OD1-CA 3.33Å; D533-G535 PolarHBondContact OD1-N 2.79Å; G535-P537 CarbonylContact C-O 3.54Å
536S87.7Confident93.9Very high117 Ų11748.2 Ų48.282%0.81827%0.265SS*.SBendtrans-149.298174-76.10000110
537P92.6Very high94Very high100 Ų10043.7 Ų43.765%0.64924%0.244SC*.SBendcis-66.7149.53.531.2-36.6000112.3N443 G535N443-P537 PolarHBondContact ND2-O 2.92Å; G535-P537 CarbonylContact C-O 3.54Å
538A94.1Very high94.1Very high57 Ų5745.2 Ų45.247%0.47125%0.252SS..PPolyproline II helixtrans-79.7129.8174.700000110.7T532 D533T532-A538 HydrophobicContact CG2-CB 4.2Å; D533-A538 WeakPolarHBondContact OD1-CA 3.28Å; D533-A538 VanDerWaalsContact OD1-CB 3.28Å; D533-A538 WeakPolarHBondContact OD1-CB 3.39Å
539L94.9Very high94.1Very high53 Ų5342 Ų4228%0.27724%0.241SC..PPolyproline II helixtrans-99.8158.2175.1-54.3175.1000110.2N443 N445 A446 T532 D533N443-L539 WeakPolarHBondContact ND2-CG 3.48Å; N445-L539 WeakPolarHBondContact O-CD1 3.31Å; A446-L539 HydrophobicContact CB-CB 3.8Å; T532-L539 WeakPolarHBondContact CA-O 3.34Å; T532-L539 WeakPolarHBondContact CG2-O 2.77Å; D533-L539 VanDerWaalsContact CG-N 3.26Å; D533-L539 PolarHBondContact N-O 3.4Å; D533-L539 VanDerWaalsContact N-O 3.09Å; D533-L539 PolarHBondContact OD1-N 2.74Å; D533-L539 VanDerWaalsContact OD1-N 3.12Å; D533-L539 VanDerWaalsContact OD2-CA 3.23Å; D533-L539 WeakPolarHBondContact OD2-CA 3.27Å; D533-L539 WeakPolarHBondContact OD2-CB 3.34Å; D533-L539 PolarHBondContact OD2-N 2.86Å
540S94.9Very high94Very high76 Ų7645.5 Ų45.553%0.53126%0.259SS..EExtended strand (participates in β ladder)trans-153.1155-176.754.30000112.4A531A531-S540 CarbonylContact O-C 3.6Å; A531-S540 WeakPolarHBondContact O-CA 3.4Å; A531-S540 VanDerWaalsContact O-CB 3.3Å; A531-S540 WeakPolarHBondContact O-CB 3.46Å
541S95.3Very high93.9Very high35 Ų3547.2 Ų47.225%0.24527%0.267CS..EExtended strand (participates in β ladder)trans-131.4170.9168.876.90000110.8P447 F449 G530 A531P447-S541 WeakPolarHBondContact O-CB 3.2Å; P447-S541 PolarHBondContact O-OG 2.94Å; F449-S541 VanDerWaalsContact CD2-OG 3.25Å; F449-S541 WeakPolarHBondContact CD2-OG 3.47Å; F449-S541 WeakPolarHBondContact CE2-OG 3.45Å; G530-S541 WeakPolarHBondContact CA-O 3.41Å; A531-S541 PolarHBondContact N-O 2.83Å; A531-S541 PolarHBondContact O-N 2.88Å
542E95.1Very high93.7Very high101 Ų10148.9 Ų48.947%0.47228%0.281SS..EExtended strand (participates in β ladder)trans-133.1148.8176.554.2165.1-137.700112.2L489 R528 V529L489-E542 HydrophobicContact CD1-CB 3.75Å; R528-E542 VanDerWaalsContact CD-OE2 3.32Å; R528-E542 WeakPolarHBondContact CD-OE2 3.18Å; R528-E542 IonicContact CZ-OE1 2.67Å; R528-E542 IonicContact NE-OE1 3.05Å; R528-E542 IonicContact NH1-OE1 3.27Å; R528-E542 PolarHBondContact NH1-OE1 2.94Å; V529-E542 VanDerWaalsContact O-CA 3.27Å; V529-E542 WeakPolarHBondContact O-CA 3.3Å
543A94.7Very high93.6Very high2 Ų247.5 Ų47.52%0.01727%0.273CS..EExtended strand (participates in β ladder)trans-129.1147.7169.900000110.8F449 Y454 R528 V529F449-A543 HydrophobicContact CB-CB 4.07Å; F449-A543 HydrophobicContact CD1-CB 3.89Å; F449-A543 HydrophobicContact CD2-CB 3.66Å; F449-A543 HydrophobicContact CE1-CB 4.2Å; F449-A543 HydrophobicContact CE2-CB 3.99Å; F449-A543 HydrophobicContact CG-CB 3.6Å; F449-A543 HydrophobicContact CZ-CB 4.24Å; Y454-A543 HydrophobicContact CD2-CB 4.21Å; Y454-A543 HydrophobicContact CE2-CB 3.82Å; R528-A543 WeakPolarHBondContact CA-O 3.14Å; V529-A543 PolarHBondContact N-O 2.83Å; V529-A543 PolarHBondContact O-N 3.48Å
544L94.6Very high93.3Very high39 Ų3949.6 Ų49.620%0.20428%0.284CS..EExtended strand (participates in β ladder)trans-82.9134176-172.967.9000110.1T452 S453 Y454 E526 R528T452-L544 PolarHBondContact O-N 3.4Å; T452-L544 VanDerWaalsContact O-N 3.09Å; S453-L544 CarbonylContact C-O 3.51Å; S453-L544 VanDerWaalsContact CA-O 3.22Å; S453-L544 WeakPolarHBondContact CA-O 3.29Å; Y454-L544 PolarHBondContact N-O 2.78Å; E526-L544 HydrophobicContact CB-CD1 4.27Å; R528-L544 HydrophobicContact CG-CD1 4.24Å
545V94.7Very high93.2Very high0 Ų046.6 Ų46.60%028%0.277CS..EExtended strand (participates in β ladder)trans-119.6117.8171.1-176.90000108.4Y454 L456 V471 L511 E526 F527 V529 V547Y454-V545 HydrophobicContact CD2-CG2 4.36Å; Y454-V545 WeakPolarHBondContact O-CA 3.48Å; L456-V545 HydrophobicContact CD1-CG1 3.86Å; L456-V545 HydrophobicContact CG-CG1 4.22Å; V471-V545 HydrophobicContact CG1-CG2 3.89Å; L511-V545 HydrophobicContact CD1-CG1 4.09Å; L511-V545 HydrophobicContact CD1-CG2 4.39Å; E526-V545 WeakPolarHBondContact CA-O 3.46Å; F527-V545 HydrophobicContact CD2-CB 4.19Å; F527-V545 HydrophobicContact CE1-CB 4.2Å; F527-V545 HydrophobicContact CE1-CG1 4Å; F527-V545 HydrophobicContact CE2-CB 3.78Å; F527-V545 HydrophobicContact CE2-CG1 4.08Å; F527-V545 HydrophobicContact CE2-CG2 4.17Å; F527-V545 HydrophobicContact CZ-CB 3.78Å; F527-V545 HydrophobicContact CZ-CG1 3.59Å; F527-V545 PolarHBondContact N-O 2.76Å; F527-V545 PolarHBondContact O-N 3.48Å; V529-V545 HydrophobicContact CG2-CG2 3.65Å; V545-V547 HydrophobicContact CG1-CG2 4.34Å
546R94.1Very high93.3Very high88 Ų8849.3 Ų49.333%0.33229%0.294SS..EExtended strand (participates in β ladder)trans-101.6122.5172.5-176.8176.8-176.3-151.27.4108.8Y454 T455 L456 E524 E526 L548Y454-R546 PolarHBondContact O-N 3.02Å; T455-R546 WeakPolarHBondContact CA-O 3.07Å; L456-R546 PolarHBondContact N-O 2.92Å; E524-R546 IonicContact OE1-NH2 2.8Å; E524-R546 IonicContact OE2-CZ 3Å; E524-R546 IonicContact OE2-NE 3.55Å; E524-R546 PolarHBondContact OE2-NE 2.93Å; E524-R546 IonicContact OE2-NH2 2.77Å; E524-R546 PolarHBondContact OE2-NH2 3.34Å; E526-R546 HydrophobicContact CG-CB 3.95Å; E526-R546 HydrophobicContact CG-CG 3.83Å; E526-R546 VanDerWaalsContact OE1-CD 3.29Å; E526-R546 WeakPolarHBondContact OE1-CD 3.31Å; E526-R546 IonicContact OE1-NE 3.54Å; R546-L548 HydrophobicContact CG-CD2 4.36Å; R546-L548 HydrophobicContact CG-CG 4.41Å
547V93.7Very high93.6Very high0 Ų043.8 Ų43.80%026%0.256CS..EExtended strand (participates in β ladder)trans-104120.7174.1178.90000108.2L456 V458 I468 E524 F525 F527 V545L456-V547 HydrophobicContact CB-CG2 4.4Å; V458-V547 HydrophobicContact CB-CG1 4.33Å; V458-V547 HydrophobicContact CG2-CG1 3.76Å; I468-V547 HydrophobicContact CD1-CG2 4.22Å; E524-V547 WeakPolarHBondContact CA-O 3.34Å; F525-V547 HydrophobicContact CD1-CB 4.19Å; F525-V547 HydrophobicContact CD1-CG1 4.43Å; F525-V547 HydrophobicContact CD2-CB 4.45Å; F525-V547 HydrophobicContact CE1-CB 3.76Å; F525-V547 HydrophobicContact CE1-CG1 3.66Å; F525-V547 HydrophobicContact CE2-CB 4.05Å; F525-V547 HydrophobicContact CE2-CG2 4.05Å; F525-V547 HydrophobicContact CZ-CB 3.68Å; F525-V547 HydrophobicContact CZ-CG1 3.76Å; F525-V547 HydrophobicContact CZ-CG2 3.95Å; F525-V547 PolarHBondContact N-O 3.25Å; F525-V547 VanDerWaalsContact N-O 3.1Å; F525-V547 PolarHBondContact O-N 2.92Å; F527-V547 HydrophobicContact CE1-CG2 3.73Å; F527-V547 HydrophobicContact CZ-CG2 4.38Å; V545-V547 HydrophobicContact CG1-CG2 4.34Å
548L94.6Very high93.5Very high35 Ų3545.4 Ų45.418%0.18325%0.253CS..EExtended strand (participates in β ladder)trans-102.9119.3174.1-66.8177.2000108.4T455 L456 F457 V458 E524 R546T455-L548 HydrophobicContact CG2-CD1 3.69Å; T455-L548 HydrophobicContact CG2-CG 4.19Å; L456-L548 PolarHBondContact O-N 2.92Å; F457-L548 WeakPolarHBondContact CA-O 3.18Å; F457-L548 HydrophobicContact CD1-CB 3.89Å; F457-L548 HydrophobicContact CD1-CD1 4.13Å; F457-L548 HydrophobicContact CE1-CB 4.12Å; F457-L548 HydrophobicContact CE1-CD1 3.48Å; F457-L548 VanDerWaalsContact CE1-CD1 3.48Å; F457-L548 HydrophobicContact CE1-CG 4.41Å; F457-L548 HydrophobicContact CZ-CD1 4.02Å; V458-L548 PolarHBondContact N-O 2.78Å; E524-L548 HydrophobicContact CB-CD2 3.74Å; R546-L548 HydrophobicContact CG-CD2 4.36Å; R546-L548 HydrophobicContact CG-CG 4.41Å
549V94Very high93.3Very high6 Ų643.3 Ų43.34%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-80.4134.2174.8-1740000108.5V458 E460 L517 Y519 L522 Q523V458-V549 CarbonylContact O-C 3.56Å; V458-V549 VanDerWaalsContact O-CA 3.28Å; V458-V549 WeakPolarHBondContact O-CA 3.19Å; E460-V549 HydrophobicContact CB-CG1 3.77Å; L517-V549 HydrophobicContact CB-CG1 4.29Å; L517-V549 HydrophobicContact CB-CG2 4.24Å; L517-V549 HydrophobicContact CD1-CG2 3.85Å; Y519-V549 HydrophobicContact CD2-CB 4.14Å; Y519-V549 HydrophobicContact CD2-CG1 4.13Å; Y519-V549 WeakPolarHBondContact CD2-O 3.27Å; Y519-V549 WeakPolarHBondContact CE2-O 3.3Å; L522-V549 WeakPolarHBondContact O-CG2 3.26Å; Q523-V549 WeakPolarHBondContact O-CB 3.4Å; Q523-V549 PolarHBondContact O-N 2.88Å
550L93.1Very high92.9Very high73 Ų7344.9 Ų44.938%0.38224%0.242SC..EExtended strand (participates in β ladder)trans-103.1109.7176.3-63-179.3000109.2F457 V458 R459 E460F457-L550 HydrophobicContact CB-CD1 4.03Å; F457-L550 HydrophobicContact CB-CG 4.32Å; F457-L550 HydrophobicContact CD1-CD2 4.07Å; V458-L550 PolarHBondContact O-N 2.88Å; R459-L550 HydrophobicContact CG-CB 4.14Å; R459-L550 HydrophobicContact CG-CD1 4.33Å; E460-L550 WeakPolarHBondContact CG-O 3.34Å; E460-L550 PolarHBondContact N-O 3.39Å; E460-L550 VanDerWaalsContact N-O 3.17Å
551D93.4Very high92.5Very high38 Ų3846 Ų4620%0.20324%0.236CC..  trans-36.4133.9163.7174.83.1000113.3Y519 S594 N597Y519-D551 HydrophobicContact CD1-CB 3.84Å; Y519-D551 HydrophobicContact CD2-CB 3.94Å; Y519-D551 HydrophobicContact CE1-CB 3.98Å; Y519-D551 HydrophobicContact CE2-CB 4.05Å; Y519-D551 HydrophobicContact CG-CB 3.83Å; D551-S594 WeakPolarHBondContact OD2-CA 3.5Å; D551-S594 WeakPolarHBondContact OD2-CB 3.15Å; D551-S594 PolarHBondContact OD2-N 2.73Å; D551-N597 VanDerWaalsContact CG-ND2 3.3Å; D551-N597 PolarHBondContact OD1-ND2 2.9Å
552A91.1Very high91.9Very high36 Ų3644.4 Ų44.430%0.29822%0.224SC..  trans-127156.4170.100000109.6E460 D554E460-A552 HydrophobicContact CG-CB 4.03Å; E460-A552 WeakPolarHBondContact OE1-CB 3.35Å; A552-D554 VanDerWaalsContact C-N 3.26Å; A552-D554 WeakPolarHBondContact O-CB 3.29Å; A552-D554 PolarHBondContact O-N 2.78Å
553N92.6Very high91.2Very high13 Ų1344.7 Ų44.77%0.0723%0.228CC..SBendtrans-75.681-176.1-154.757.9000110.3D593 N597 D644 P648 R650N553-D593 VanDerWaalsContact CA-OD2 3.32Å; N553-D593 WeakPolarHBondContact CA-OD2 3.39Å; N553-D593 PolarHBondContact OD1-OD2 2.79Å; N553-N597 HydrophobicContact CB-CB 4.26Å; N553-N597 PolarHBondContact N-ND2 2.9Å; N553-N597 WeakPolarHBondContact OD1-CA 3.4Å; N553-N597 WeakPolarHBondContact OD1-CB 3.39Å; N553-N597 PolarHBondContact OD1-O 2.9Å; N553-D644 PolarHBondContact ND2-OD1 3.31Å; N553-D644 PolarHBondContact OD1-OD1 2.96Å; N553-P648 PolarHBondContact ND2-O 3.31Å; N553-R650 PolarHBondContact ND2-N 2.92Å; N553-R650 VanDerWaalsContact O-CZ 3.26Å; N553-R650 PolarHBondContact O-NE 2.82Å; N553-R650 PolarHBondContact O-NH2 3.05Å; N553-R650 VanDerWaalsContact O-NH2 3.15Å
554D90.9Very high90.3Very high49 Ų4947.6 Ų47.626%0.26224%0.242SC..  trans-115-36.2-160.2158.1-79.3000112.2E460 N461 A552 D593 R650E460-D554 VanDerWaalsContact OE1-CB 3.31Å; E460-D554 WeakPolarHBondContact OE1-CB 3.36Å; N461-D554 VanDerWaalsContact ND2-CG 3.29Å; N461-D554 PolarHBondContact ND2-OD2 3.09Å; A552-D554 VanDerWaalsContact C-N 3.26Å; A552-D554 WeakPolarHBondContact O-CB 3.29Å; A552-D554 PolarHBondContact O-N 2.78Å; D554-D593 PolarHBondContact N-OD2 3.16Å; D554-D593 VanDerWaalsContact N-OD2 3.12Å; D554-R650 VanDerWaalsContact C-CZ 3.48Å; D554-R650 VanDerWaalsContact CA-NH2 3.33Å; D554-R650 PolarHBondContact O-NH1 2.92Å; D554-R650 PolarHBondContact O-NH2 2.88Å
555N91.2Very high89Confident55 Ų5553.5 Ų53.529%0.29427%0.273SS..SBendtrans-83-171.5169.2-65.7-84.1000109.9E520 D593 R650E520-N555 PolarHBondContact OE2-ND2 2.87Å; N555-D593 WeakPolarHBondContact CB-OD1 3.2Å; N555-D593 PolarHBondContact N-OD1 3.44Å; N555-D593 PolarHBondContact N-OD2 3.08Å; N555-D593 PolarHBondContact ND2-OD1 2.98Å; N555-R650 WeakPolarHBondContact O-CD 3.17Å; N555-R650 PolarHBondContact O-NE 2.87Å; N555-R650 PolarHBondContact O-NH1 2.58Å
556S91.4Very high87.5Confident62 Ų6255 Ų5543%0.43429%0.289SS..  trans-152.1148.1176.663.80000110F558 D591S556-F558 PolarHBondContact O-N 3.05Å; S556-F558 VanDerWaalsContact O-N 3.07Å; S556-D591 PolarHBondContact N-OD1 2.89Å
557P93.6Very high85.9Confident1 Ų157.6 Ų57.61%0.00632%0.321CS..  trans-55.5116.2-169.9-26.830000112.8V590 D591 L600 V642 D644 A652P557-V590 CarbonylContact C-O 3.59Å; P557-D591 WeakPolarHBondContact CA-OD2 3.22Å; P557-D591 WeakPolarHBondContact CD-OD2 3.44Å; P557-D591 WeakPolarHBondContact CG-OD2 3.43Å; P557-L600 HydrophobicContact CB-CD2 3.72Å; P557-L600 HydrophobicContact CG-CD2 3.64Å; P557-V642 HydrophobicContact CB-CB 4.16Å; P557-V642 HydrophobicContact CB-CG1 3.74Å; P557-V642 HydrophobicContact CG-CG1 4.42Å; P557-D644 WeakPolarHBondContact CD-OD2 3.02Å; P557-D644 HydrophobicContact CG-CB 4.27Å; P557-A652 WeakPolarHBondContact O-CB 3.42Å
558F91Very high84.4Confident135 Ų13560.8 Ų60.859%0.59235%0.347SS*.EExtended strand (participates in β ladder)trans-95120.6178.1-173.5-101.9000111.6S556 L560 A589 V590S556-F558 PolarHBondContact O-N 3.05Å; S556-F558 VanDerWaalsContact O-N 3.07Å; F558-L560 HydrophobicContact CD1-CD2 3.82Å; F558-L560 HydrophobicContact CD1-CG 4.46Å; F558-L560 HydrophobicContact CE1-CD2 3.89Å; F558-L560 PolarHBondContact O-N 3.5Å; F558-A589 CarbonylContact O-C 3.52Å; F558-A589 WeakPolarHBondContact O-CA 3.14Å; F558-A589 WeakPolarHBondContact O-CB 3.2Å; F558-V590 HydrophobicContact CB-CG2 4.37Å; F558-V590 PolarHBondContact N-O 3.06Å; F558-V590 PolarHBondContact O-N 3.42Å
559V90.4Very high83Confident12 Ų1263 Ų637%0.07336%0.363CS..EExtended strand (participates in β ladder)trans-80.1108179.7-178.30000110.4Q564 V587 A589 V642 A652 A654V559-Q564 HydrophobicContact CB-CG 4.47Å; V559-Q564 HydrophobicContact CG1-CG 4.42Å; V559-V587 HydrophobicContact CG1-CG1 4.21Å; V559-A589 HydrophobicContact CG2-CB 4.37Å; V559-V642 HydrophobicContact CG2-CG2 4.04Å; V559-A652 HydrophobicContact CG2-CB 4.34Å; V559-A654 HydrophobicContact CG1-CB 3.89Å; V559-A654 HydrophobicContact CG2-CB 4.12Å
560L87.5Confident81.8Confident87 Ų8765.1 Ų65.146%0.45538%0.378SS..EExtended strand (participates in β ladder)trans-75.8-38173.9-65177.2000112.3F558 V588 V590F558-L560 HydrophobicContact CD1-CD2 3.82Å; F558-L560 HydrophobicContact CD1-CG 4.46Å; F558-L560 HydrophobicContact CE1-CD2 3.89Å; F558-L560 PolarHBondContact O-N 3.5Å; L560-V588 HydrophobicContact CB-CG1 4.48Å; L560-V588 HydrophobicContact CD1-CG1 4.46Å; L560-V588 PolarHBondContact N-O 2.88Å; L560-V590 HydrophobicContact CD1-CG1 3.64Å; L560-V590 HydrophobicContact CD1-CG2 4.07Å; L560-V590 HydrophobicContact CD2-CG2 4.34Å; L560-V590 HydrophobicContact CG-CG1 4.42Å; L560-V590 HydrophobicContact CG-CG2 4.07Å
561Y85.5Confident81.2Confident99 Ų9964.9 Ų64.939%0.38838%0.38SS..EExtended strand (participates in β ladder)trans-146136.8-178.1-170.5-91.7000112E572 K586 V587 V588Y561-E572 PolarHBondContact OH-OE1 2.66Å; Y561-E572 VanDerWaalsContact OH-OE1 3.05Å; Y561-K586 WeakPolarHBondContact CD1-O 3.37Å; Y561-V587 CarbonylContact O-C 3.53Å; Y561-V587 WeakPolarHBondContact O-CA 3.07Å; Y561-V588 PolarHBondContact N-O 2.97Å; Y561-V588 PolarHBondContact O-N 2.97Å
562P83.1Confident80.8Confident1 Ų165 Ų651%0.00638%0.379CS..SBendcis-71.2152.7-5.333.3-38.9000112Q564 C570 L656P562-Q564 PolarHBondContact O-N 3.14Å; P562-Q564 VanDerWaalsContact O-N 3.15Å; P562-Q564 PolarHBondContact O-NE2 2.9Å; P562-C570 HydrophobicContact CB-CB 4Å; P562-L656 HydrophobicContact CB-CD2 4.4Å; P562-L656 HydrophobicContact CG-CD2 3.64Å; P562-L656 HydrophobicContact CG-CG 4Å
563L80.4Confident80.5Confident107 Ų10767.3 Ų67.356%0.5639%0.386SS*.  trans-64.1113.2-177-171.174.7000111.2
564Q74.9Confident80.2Confident64 Ų6466.7 Ų66.730%0.29938%0.383SS..THydrogen-bonded Turntrans-74.2-32.7-174.4-63.2-57-64.100113.9V559 P562 T655V559-Q564 HydrophobicContact CB-CG 4.47Å; V559-Q564 HydrophobicContact CG1-CG 4.42Å; P562-Q564 PolarHBondContact O-N 3.14Å; P562-Q564 VanDerWaalsContact O-N 3.15Å; P562-Q564 PolarHBondContact O-NE2 2.9Å; Q564-T655 PolarHBondContact NE2-O 3.15Å
565N67.2Low79.9Confident162 Ų16265.1 Ų65.187%0.86638%0.375SS*.THydrogen-bonded Turntrans-103.523.9-173.5-67.6-13.8000113.6
566G63.1Low79.5Confident32 Ų3265.5 Ų65.533%0.3337%0.372SS..  trans-70.4147.2175.200000112.7A568G566-A568 PolarHBondContact O-N 3.02Å; G566-A568 VanDerWaalsContact O-N 3.17Å
567S61.6Low79Confident143 Ų14367 Ų67100%139%0.389SS*.SBendtrans-65.9-12.6176500000114.2
568A62.5Low78.5Confident66 Ų6667.1 Ų67.155%0.54539%0.39SS..SBendtrans-130.5140.2165.800000109.4G566 C570G566-A568 PolarHBondContact O-N 3.02Å; G566-A568 VanDerWaalsContact O-N 3.17Å; A568-C570 PolarHBondContact O-N 2.92Å
569P65.1Low78.3Confident82 Ų8268 Ų6853%0.53240%0.396SS..  trans-67.2122.317726.8-33.1000110.5T571P569-T571 PolarHBondContact O-N 2.64Å; P569-T571 PolarHBondContact O-OG1 2.85Å
570C68.6Low78.1Confident50 Ų5071 Ų7134%0.33842%0.415SS..  trans-54.5107.6170.7-69.30000109.3P562 A568P562-C570 HydrophobicContact CB-CB 4Å; A568-C570 PolarHBondContact O-N 2.92Å
571T79.9Confident78Confident69 Ų6968.4 Ų68.442%0.42341%0.41SS..EExtended strand (participates in β ladder)trans-108.5108.2-176.7-57.60000108.7P569 H657 L659P569-T571 PolarHBondContact O-N 2.64Å; P569-T571 PolarHBondContact O-OG1 2.85Å; T571-H657 CarbonylContact C-O 3.49Å; T571-H657 VanDerWaalsContact CA-O 3.28Å; T571-H657 WeakPolarHBondContact CA-O 3.28Å; T571-H657 HydrophobicContact CG2-CB 4.44Å; T571-L659 HydrophobicContact CG2-CB 3.85Å
572E84.7Confident78.2Confident39 Ų3967.6 Ų67.618%0.18241%0.407CS..EExtended strand (participates in β ladder)trans-80.3137.5179-59.1-77.5-14900110.1Y561 V584 T585 L656 H657 L658 L659Y561-E572 PolarHBondContact OH-OE1 2.66Å; Y561-E572 VanDerWaalsContact OH-OE1 3.05Å; E572-V584 HydrophobicContact CB-CG1 4.39Å; E572-T585 HydrophobicContact CG-CG2 4.21Å; E572-T585 WeakPolarHBondContact OE1-CB 3.12Å; E572-T585 PolarHBondContact OE1-OG1 2.91Å; E572-L656 HydrophobicContact CG-CD2 4.26Å; E572-H657 PolarHBondContact N-O 3.36Å; E572-L658 HydrophobicContact CB-CD2 3.71Å; E572-L658 HydrophobicContact CG-CD2 4.25Å; E572-L658 WeakPolarHBondContact O-CA 3.31Å; E572-L659 PolarHBondContact O-N 2.9Å
573L85.3Confident78.6Confident85 Ų8571.3 Ų71.345%0.44543%0.426SS..EExtended strand (participates in β ladder)trans-95.4121.7-178.5-60.6-178.1000110L659 V661 F664L573-L659 HydrophobicContact CD2-CB 4.02Å; L573-L659 HydrophobicContact CD2-CD2 3.9Å; L573-L659 HydrophobicContact CD2-CG 4.42Å; L573-V661 HydrophobicContact CB-CG2 4.45Å; L573-V661 HydrophobicContact CD2-CG1 4.14Å; L573-F664 HydrophobicContact CB-CD1 4.34Å; L573-F664 HydrophobicContact CB-CE1 3.82Å
574V86.1Confident79Confident0 Ų067.1 Ų67.10%041%0.405CS..EExtended strand (participates in β ladder)trans-114.4124.2179.4-176.40000109.3A578 Y582 V584 T624 L628 L658 L659 L660 V661V574-A578 HydrophobicContact CG1-CB 4.36Å; V574-Y582 HydrophobicContact CG1-CD1 4.43Å; V574-Y582 HydrophobicContact CG1-CE1 4.36Å; V574-V584 HydrophobicContact CG1-CG2 4.29Å; V574-V584 HydrophobicContact CG2-CB 4.24Å; V574-V584 HydrophobicContact CG2-CG1 3.52Å; V574-V584 HydrophobicContact CG2-CG2 3.83Å; V574-T624 HydrophobicContact CG1-CG2 4.48Å; V574-L628 HydrophobicContact CG1-CD1 4.07Å; V574-L658 HydrophobicContact CG2-CB 4.42Å; V574-L659 PolarHBondContact N-O 2.94Å; V574-L660 HydrophobicContact CB-CD2 4.03Å; V574-L660 HydrophobicContact CG1-CD2 4.23Å; V574-L660 WeakPolarHBondContact O-CA 3.49Å; V574-V661 PolarHBondContact O-N 3.29Å
575P84.6Confident79.7Confident16 Ų1664.7 Ų64.710%0.10440%0.395CS..EExtended strand (participates in β ladder)trans-75.1137.2179.930.7-30000109.7A577 A578 Y582 L628 V661 F664P575-A577 PolarHBondContact O-N 2.76Å; P575-A577 VanDerWaalsContact O-N 3.15Å; P575-A578 HydrophobicContact CG-CB 4.15Å; P575-A578 WeakPolarHBondContact O-CB 3.17Å; P575-A578 PolarHBondContact O-N 2.89Å; P575-Y582 HydrophobicContact CG-CE1 4.29Å; P575-Y582 HydrophobicContact CG-CE2 4.44Å; P575-L628 WeakPolarHBondContact O-CD1 3.48Å; P575-V661 CarbonylContact C-O 3.54Å; P575-V661 VanDerWaalsContact CA-O 3.31Å; P575-V661 WeakPolarHBondContact CA-O 3.35Å; P575-F664 HydrophobicContact CB-CD2 4.48Å; P575-F664 HydrophobicContact CB-CE2 3.81Å; P575-F664 HydrophobicContact CB-CZ 4.12Å; P575-F664 HydrophobicContact CG-CE2 3.74Å; P575-F664 HydrophobicContact CG-CZ 3.87Å
576R81.9Confident80.8Confident63 Ų6361.4 Ų61.424%0.23837%0.373CS..THydrogen-bonded Turntrans-61-24.3175.9-71.5-156.9-164-103.6-2.6113.8A578 S629 D632 L660 V661 D662R576-A578 PolarHBondContact O-N 2.9Å; R576-S629 PolarHBondContact NH1-O 2.77Å; R576-D632 PolarHBondContact NH1-O 3.12Å; R576-L660 HydrophobicContact CG-CB 4.22Å; R576-V661 PolarHBondContact N-O 2.98Å; R576-D662 WeakPolarHBondContact CD-OD1 3.38Å; R576-D662 WeakPolarHBondContact CG-OD1 3.21Å; R576-D662 IonicContact CZ-OD1 3.98Å; R576-D662 IonicContact NE-OD1 2.68Å; R576-D662 PolarHBondContact NE-OD1 3.44Å
577A81.2Confident82.1Confident94 Ų9459.9 Ų59.978%0.77736%0.357SS*.THydrogen-bonded Turntrans-76.15.7172.800000114P575 E579P575-A577 PolarHBondContact O-N 2.76Å; P575-A577 VanDerWaalsContact O-N 3.15Å; A577-E579 PolarHBondContact O-N 3.1Å
578A83.9Confident83.5Confident4 Ų455.8 Ų55.83%0.03333%0.326CS..PPolyproline II helixtrans-63122.7176.400000111.8V574 P575 R576 Y582 T624 L628V574-A578 HydrophobicContact CG1-CB 4.36Å; P575-A578 HydrophobicContact CG-CB 4.15Å; P575-A578 WeakPolarHBondContact O-CB 3.17Å; P575-A578 PolarHBondContact O-N 2.89Å; R576-A578 PolarHBondContact O-N 2.9Å; A578-Y582 HydrophobicContact CB-CD1 3.76Å; A578-Y582 HydrophobicContact CB-CD2 4.29Å; A578-Y582 HydrophobicContact CB-CE1 4.4Å; A578-Y582 HydrophobicContact CB-CG 3.69Å; A578-T624 HydrophobicContact CB-CG2 4.26Å; A578-L628 HydrophobicContact CB-CD1 4.04Å
579E86.6Confident84.9Confident152 Ų15253.1 Ų53.171%0.7130%0.304SS*.PPolyproline II helixtrans-67.6160.7171.5-63.6-173.4165.800111.4A577 G581 Y582 T624A577-E579 PolarHBondContact O-N 3.1Å; E579-G581 PolarHBondContact O-N 3Å; E579-Y582 VanDerWaalsContact O-CB 3.29Å; E579-Y582 WeakPolarHBondContact O-CB 3.2Å; E579-Y582 PolarHBondContact O-N 2.98Å; E579-T624 PolarHBondContact O-OG1 3.4Å
580P86Confident86.3Confident75 Ų7552.5 Ų52.549%0.48730%0.298SS..THydrogen-bonded Turntrans-57.7131.8169.8-21.433.5000111.2L627P580-L627 HydrophobicContact CG-CD2 4.46Å; P580-L627 HydrophobicContact CG-CG 4.02Å
581G86.4Confident87.5Confident34 Ų3451.5 Ų51.535%0.35129%0.29SS..THydrogen-bonded Turntrans90.51.9-176.600000114.9E579 L583 R623 T624E579-G581 PolarHBondContact O-N 3Å; G581-L583 PolarHBondContact O-N 2.63Å; G581-R623 WeakPolarHBondContact O-CD 3.29Å; G581-T624 WeakPolarHBondContact CA-O 3.45Å; G581-T624 PolarHBondContact N-O 3.42Å; G581-T624 PolarHBondContact N-OG1 2.66Å; G581-T624 VanDerWaalsContact N-OG1 3.13Å
582Y89.2Confident88Confident82 Ų8250 Ų5032%0.32229%0.288SS..  trans-58.3128.7172177.1-98.7000111.1V574 P575 A578 E579 V584 R623 T624V574-Y582 HydrophobicContact CG1-CD1 4.43Å; V574-Y582 HydrophobicContact CG1-CE1 4.36Å; P575-Y582 HydrophobicContact CG-CE1 4.29Å; P575-Y582 HydrophobicContact CG-CE2 4.44Å; A578-Y582 HydrophobicContact CB-CD1 3.76Å; A578-Y582 HydrophobicContact CB-CD2 4.29Å; A578-Y582 HydrophobicContact CB-CE1 4.4Å; A578-Y582 HydrophobicContact CB-CG 3.69Å; E579-Y582 VanDerWaalsContact O-CB 3.29Å; E579-Y582 WeakPolarHBondContact O-CB 3.2Å; E579-Y582 PolarHBondContact O-N 2.98Å; Y582-V584 HydrophobicContact CD1-CG2 4.2Å; Y582-V584 PolarHBondContact O-N 3.39Å; Y582-R623 CarbonylContact O-C 3.55Å; Y582-R623 WeakPolarHBondContact O-CA 3.17Å; Y582-R623 WeakPolarHBondContact O-CB 3.42Å; Y582-T624 WeakPolarHBondContact CB-OG1 3.47Å; Y582-T624 HydrophobicContact CD1-CG2 4.47Å; Y582-T624 PolarHBondContact N-OG1 3Å; Y582-T624 PolarHBondContact O-N 3.03Å
583L90.4Very high88.4Confident79 Ų7948.4 Ų48.441%0.41428%0.281SS..EExtended strand (participates in β ladder)trans-75113.8176.6-179.565.7000109.7G581 T585 E621 R623G581-L583 PolarHBondContact O-N 2.63Å; L583-T585 WeakPolarHBondContact CD1-O 3.43Å; L583-E621 HydrophobicContact CD1-CB 3.84Å; L583-E621 HydrophobicContact CD1-CG 3.89Å; L583-R623 HydrophobicContact CD1-CG 4.15Å
584V89.2Confident88.7Confident19 Ų1946.1 Ų46.112%0.11527%0.272CS..EExtended strand (participates in β ladder)trans-82.4-52.4177.41720000110.1E572 V574 Y582 F613 V622 T624 L658E572-V584 HydrophobicContact CB-CG1 4.39Å; V574-V584 HydrophobicContact CG1-CG2 4.29Å; V574-V584 HydrophobicContact CG2-CB 4.24Å; V574-V584 HydrophobicContact CG2-CG1 3.52Å; V574-V584 HydrophobicContact CG2-CG2 3.83Å; Y582-V584 HydrophobicContact CD1-CG2 4.2Å; Y582-V584 PolarHBondContact O-N 3.39Å; V584-F613 HydrophobicContact CG2-CD1 4.14Å; V584-F613 HydrophobicContact CG2-CE1 3.97Å; V584-V622 WeakPolarHBondContact CB-O 3.49Å; V584-V622 PolarHBondContact N-O 2.73Å; V584-T624 HydrophobicContact CG2-CG2 4.23Å; V584-L658 HydrophobicContact CG1-CD1 4.06Å; V584-L658 HydrophobicContact CG1-CD2 3.56Å; V584-L658 HydrophobicContact CG1-CG 4.44Å
585T89.5Confident88.9Confident13 Ų1349 Ų498%0.0830%0.301CS..EExtended strand (participates in β ladder)trans-168.3178.4-177.1-170.50000109.4E572 L583 V622 L656E572-T585 HydrophobicContact CG-CG2 4.21Å; E572-T585 WeakPolarHBondContact OE1-CB 3.12Å; E572-T585 PolarHBondContact OE1-OG1 2.91Å; L583-T585 WeakPolarHBondContact CD1-O 3.43Å; T585-V622 HydrophobicContact CG2-CB 3.99Å; T585-V622 HydrophobicContact CG2-CG2 3.95Å; T585-V622 PolarHBondContact N-O 3.05Å; T585-V622 PolarHBondContact O-N 2.9Å; T585-L656 HydrophobicContact CG2-CD1 3.88Å; T585-L656 HydrophobicContact CG2-CD2 3.64Å; T585-L656 HydrophobicContact CG2-CG 4.44Å
586K90.7Very high89.2Confident92 Ų9253.3 Ų53.340%0.432%0.32SS..EExtended strand (participates in β ladder)trans-133.4120.8177.9-174.4-178.3-175-176.80109.8Y561 V588 N619 E621Y561-K586 WeakPolarHBondContact CD1-O 3.37Å; K586-V588 HydrophobicContact CD-CG2 4.4Å; K586-V588 HydrophobicContact CG-CG2 4.31Å; K586-V588 PolarHBondContact O-N 3.01Å; K586-N619 WeakPolarHBondContact CE-O 3.28Å; K586-N619 WeakPolarHBondContact CG-O 3.35Å; K586-E621 HydrophobicContact CB-CG 4.38Å; K586-E621 HydrophobicContact CD-CG 4.15Å; K586-E621 HydrophobicContact CG-CG 3.98Å
587V90.9Very high89.7Confident0 Ų051.5 Ų51.50%032%0.315CS..  trans-72122.3169.9-176.50000107.9V559 Y561 Y602 G620 V622 V640 V642 A654 L656V559-V587 HydrophobicContact CG1-CG1 4.21Å; Y561-V587 CarbonylContact O-C 3.53Å; Y561-V587 WeakPolarHBondContact O-CA 3.07Å; V587-Y602 HydrophobicContact CB-CD1 4.23Å; V587-Y602 HydrophobicContact CB-CE1 4.21Å; V587-Y602 HydrophobicContact CG1-CD1 4.25Å; V587-Y602 HydrophobicContact CG1-CE1 4.05Å; V587-G620 PolarHBondContact N-O 2.8Å; V587-V622 HydrophobicContact CG2-CG2 4.11Å; V587-V640 HydrophobicContact CG2-CB 4.18Å; V587-V640 HydrophobicContact CG2-CG1 4.2Å; V587-V640 HydrophobicContact CG2-CG2 4.08Å; V587-V642 HydrophobicContact CG1-CG2 3.98Å; V587-A654 HydrophobicContact CG1-CB 3.81Å; V587-A654 HydrophobicContact CG2-CB 4.39Å; V587-L656 HydrophobicContact CG2-CD1 3.86Å
588V91.6Very high90.2Very high57 Ų5748.6 Ų48.635%0.34529%0.291SS..EExtended strand (participates in β ladder)trans-114.3124.5176.6-176.70000108L560 Y561 K586L560-V588 HydrophobicContact CB-CG1 4.48Å; L560-V588 HydrophobicContact CD1-CG1 4.46Å; L560-V588 PolarHBondContact N-O 2.88Å; Y561-V588 PolarHBondContact N-O 2.97Å; Y561-V588 PolarHBondContact O-N 2.97Å; K586-V588 HydrophobicContact CD-CG2 4.4Å; K586-V588 HydrophobicContact CG-CG2 4.31Å; K586-V588 PolarHBondContact O-N 3.01Å
589A92Very high90.6Very high10 Ų1056.2 Ų56.28%0.08332%0.319CS..EExtended strand (participates in β ladder)trans-134.916117500000110.2F558 V559 L600 V642F558-A589 CarbonylContact O-C 3.52Å; F558-A589 WeakPolarHBondContact O-CA 3.14Å; F558-A589 WeakPolarHBondContact O-CB 3.2Å; V559-A589 HydrophobicContact CG2-CB 4.37Å; A589-L600 VanDerWaalsContact C-CD1 3.48Å; A589-L600 HydrophobicContact CB-CD1 3.8Å; A589-L600 WeakPolarHBondContact O-CD1 3.37Å; A589-V642 HydrophobicContact CB-CB 4.35Å; A589-V642 HydrophobicContact CB-CG1 3.75Å; A589-V642 HydrophobicContact CB-CG2 4.04Å
590V92.9Very high90.9Very high69 Ų6950.1 Ų50.142%0.41829%0.291SS..EExtended strand (participates in β ladder)trans-132.2154.6175.3-67.90000108.6P557 F558 L560P557-V590 CarbonylContact C-O 3.59Å; F558-V590 HydrophobicContact CB-CG2 4.37Å; F558-V590 PolarHBondContact N-O 3.06Å; F558-V590 PolarHBondContact O-N 3.42Å; L560-V590 HydrophobicContact CD1-CG1 3.64Å; L560-V590 HydrophobicContact CD1-CG2 4.07Å; L560-V590 HydrophobicContact CD2-CG2 4.34Å; L560-V590 HydrophobicContact CG-CG1 4.42Å; L560-V590 HydrophobicContact CG-CG2 4.07Å
591D94Very high91.3Very high29 Ų2948.6 Ų48.616%0.15528%0.282CS..  trans-114.2160.7165.7-134.3-55.7000110.7S556 P557 A598 L600S556-D591 PolarHBondContact N-OD1 2.89Å; P557-D591 WeakPolarHBondContact CA-OD2 3.22Å; P557-D591 WeakPolarHBondContact CD-OD2 3.44Å; P557-D591 WeakPolarHBondContact CG-OD2 3.43Å; D591-A598 HydrophobicContact CB-CB 3.84Å; D591-L600 HydrophobicContact CB-CD2 4.19Å
592G90.4Very high91.7Very high38 Ų3848 Ų4839%0.39227%0.27SS..SBendtrans-80.6-38.5174.300000112.2E520E520-G592 WeakPolarHBondContact CG-O 3.12Å
593D94.1Very high91.8Very high6 Ų649.6 Ų49.63%0.03228%0.28CS..SBendtrans-67.1-166.6-173.5-54.5-15.4000112.7N553 D554 N555 N597 A598N553-D593 VanDerWaalsContact CA-OD2 3.32Å; N553-D593 WeakPolarHBondContact CA-OD2 3.39Å; N553-D593 PolarHBondContact OD1-OD2 2.79Å; D554-D593 PolarHBondContact N-OD2 3.16Å; D554-D593 VanDerWaalsContact N-OD2 3.12Å; N555-D593 WeakPolarHBondContact CB-OD1 3.2Å; N555-D593 PolarHBondContact N-OD1 3.44Å; N555-D593 PolarHBondContact N-OD2 3.08Å; N555-D593 PolarHBondContact ND2-OD1 2.98Å; D593-N597 HydrophobicContact CB-CB 3.41Å; D593-N597 VanDerWaalsContact CB-CB 3.41Å; D593-A598 VanDerWaalsContact O-CB 3.27Å; D593-A598 WeakPolarHBondContact O-CB 3.03Å
594S91.6Very high91.9Very high36 Ų3648.1 Ų48.125%0.25227%0.272SS..  trans-134175178.8-83.80000114.4D551 Q596 N597 A598D551-S594 WeakPolarHBondContact OD2-CA 3.5Å; D551-S594 WeakPolarHBondContact OD2-CB 3.15Å; D551-S594 PolarHBondContact OD2-N 2.73Å; S594-Q596 PolarHBondContact O-N 2.76Å; S594-N597 WeakPolarHBondContact O-CA 3.32Å; S594-N597 WeakPolarHBondContact O-CB 3.33Å; S594-N597 PolarHBondContact O-N 3.42Å; S594-A598 PolarHBondContact O-N 3.04Å; S594-A598 VanDerWaalsContact O-N 3.14Å
595G90.3Very high91.9Very high60 Ų6051.7 Ų51.762%0.61929%0.29SS*.THydrogen-bonded Turntrans54.6-110.7174.800000114.7
596Q90.7Very high91.9Very high107 Ų10757.4 Ų57.450%0.531%0.314SS..THydrogen-bonded Turntrans-84.9-28.9177.6-65.3-59.7-56.500112.9S594 A598 W599 N645 G646S594-Q596 PolarHBondContact O-N 2.76Å; Q596-A598 VanDerWaalsContact C-N 3.31Å; Q596-A598 PolarHBondContact O-N 3.42Å; Q596-W599 WeakPolarHBondContact O-CB 3.18Å; Q596-W599 PolarHBondContact O-N 3.09Å; Q596-N645 CarbonylContact O-C 3.51Å; Q596-N645 WeakPolarHBondContact O-CB 3.29Å; Q596-N645 PolarHBondContact O-N 3.22Å; Q596-N645 PolarHBondContact OE1-ND2 3.25Å; Q596-G646 PolarHBondContact O-N 3.31Å
597N91.3Very high91.9Very high25 Ų2554.1 Ų54.113%0.13430%0.304CS..THydrogen-bonded Turntrans-67.4-34.8178.6-61.8-11.5000110.2D551 N553 D593 S594 D644 G646D551-N597 VanDerWaalsContact CG-ND2 3.3Å; D551-N597 PolarHBondContact OD1-ND2 2.9Å; N553-N597 HydrophobicContact CB-CB 4.26Å; N553-N597 PolarHBondContact N-ND2 2.9Å; N553-N597 WeakPolarHBondContact OD1-CA 3.4Å; N553-N597 WeakPolarHBondContact OD1-CB 3.39Å; N553-N597 PolarHBondContact OD1-O 2.9Å; D593-N597 HydrophobicContact CB-CB 3.41Å; D593-N597 VanDerWaalsContact CB-CB 3.41Å; S594-N597 WeakPolarHBondContact O-CA 3.32Å; S594-N597 WeakPolarHBondContact O-CB 3.33Å; S594-N597 PolarHBondContact O-N 3.42Å; N597-D644 WeakPolarHBondContact O-CB 3.42Å; N597-G646 VanDerWaalsContact OD1-CA 3.32Å; N597-G646 WeakPolarHBondContact OD1-CA 3.15Å
598A92Very high91.8Very high33 Ų3357.1 Ų57.127%0.27332%0.322SS..THydrogen-bonded Turntrans-88.36.9168.900000115.9D591 D593 S594 Q596 L600D591-A598 HydrophobicContact CB-CB 3.84Å; D593-A598 VanDerWaalsContact O-CB 3.27Å; D593-A598 WeakPolarHBondContact O-CB 3.03Å; S594-A598 PolarHBondContact O-N 3.04Å; S594-A598 VanDerWaalsContact O-N 3.14Å; Q596-A598 VanDerWaalsContact C-N 3.31Å; Q596-A598 PolarHBondContact O-N 3.42Å; A598-L600 PolarHBondContact O-N 3.41Å
599W93.1Very high91.5Very high164 Ų16457.2 Ų57.262%0.62132%0.319SS*.  trans-81.392.1-177.5-172.1-83.3000111.8Q596 D644 N645Q596-W599 WeakPolarHBondContact O-CB 3.18Å; Q596-W599 PolarHBondContact O-N 3.09Å; W599-D644 CarbonylContact O-C 3.6Å; W599-D644 WeakPolarHBondContact O-CA 3.47Å; W599-N645 HydrophobicContact CB-CB 4.03Å; W599-N645 HydrophobicContact CG-CB 4.46Å; W599-N645 PolarHBondContact O-N 2.87Å
600L93.5Very high91.1Very high24 Ų2461.9 Ų61.913%0.12635%0.349CS..  trans-75.8130.8-174.4-58.3-173.6000114.1P557 A589 D591 A598 Y602 V642 D644P557-L600 HydrophobicContact CB-CD2 3.72Å; P557-L600 HydrophobicContact CG-CD2 3.64Å; A589-L600 VanDerWaalsContact C-CD1 3.48Å; A589-L600 HydrophobicContact CB-CD1 3.8Å; A589-L600 WeakPolarHBondContact O-CD1 3.37Å; D591-L600 HydrophobicContact CB-CD2 4.19Å; A598-L600 PolarHBondContact O-N 3.41Å; L600-Y602 HydrophobicContact CB-CE2 4.23Å; L600-V642 HydrophobicContact CB-CG1 4.21Å; L600-V642 HydrophobicContact CD1-CG1 4.12Å; L600-V642 HydrophobicContact CD2-CG1 4.1Å; L600-V642 HydrophobicContact CG-CG1 4.38Å; L600-D644 HydrophobicContact CD2-CB 4.41Å
601S93.8Very high90.7Very high43 Ų4361 Ų6130%0.30135%0.354SS..EExtended strand (participates in β ladder)trans-118.9147.6170.670.40000111.4A617 V642 K643S601-A617 WeakPolarHBondContact CA-O 3.11Å; S601-V642 WeakPolarHBondContact O-CA 3.39Å; S601-K643 PolarHBondContact N-O 2.9Å; S601-K643 PolarHBondContact O-N 3.47Å; S601-K643 PolarHBondContact OG-O 2.86Å
602Y93.6Very high90.5Very high22 Ų2259.6 Ų59.69%0.08635%0.346CS..EExtended strand (participates in β ladder)trans-119.7131.3-173.2-59.6-97.8000111.3V587 L600 A617 G620 L641 V642V587-Y602 HydrophobicContact CB-CD1 4.23Å; V587-Y602 HydrophobicContact CB-CE1 4.21Å; V587-Y602 HydrophobicContact CG1-CD1 4.25Å; V587-Y602 HydrophobicContact CG1-CE1 4.05Å; L600-Y602 HydrophobicContact CB-CE2 4.23Å; Y602-A617 PolarHBondContact N-O 3.42Å; Y602-A617 VanDerWaalsContact O-CA 3.29Å; Y602-A617 WeakPolarHBondContact O-CA 3.37Å; Y602-G620 VanDerWaalsContact CD1-CA 3.49Å; Y602-G620 VanDerWaalsContact CG-CA 3.45Å; Y602-L641 CarbonylContact C-O 3.16Å; Y602-L641 WeakPolarHBondContact CA-O 3.34Å; Y602-V642 HydrophobicContact CD1-CG1 4.36Å; Y602-V642 HydrophobicContact CD1-CG2 3.82Å; Y602-V642 HydrophobicContact CE1-CB 4.48Å; Y602-V642 HydrophobicContact CE1-CG1 4Å; Y602-V642 HydrophobicContact CE1-CG2 3.75Å
603Q93.1Very high90.5Very high116 Ų11658 Ų5854%0.54233%0.328SS..EExtended strand (participates in β ladder)trans-138.1134.9-180-173179.17.100111.8L605 V640 L641Q603-L605 PolarHBondContact O-N 2.85Å; Q603-V640 CarbonylContact O-C 3.59Å; Q603-V640 WeakPolarHBondContact O-CA 3.44Å; Q603-L641 HydrophobicContact CB-CB 4.48Å; Q603-L641 PolarHBondContact N-O 3.29Å; Q603-L641 PolarHBondContact O-N 3.09Å
604L91.8Very high90.3Very high47 Ų4758.8 Ų58.825%0.24634%0.338CS..EExtended strand (participates in β ladder)trans-77.1105.9171-174.160.9000110A607 F613 V615 L638 V640L604-A607 HydrophobicContact CD2-CB 4.31Å; L604-F613 WeakPolarHBondContact CD2-O 3.45Å; L604-V615 HydrophobicContact CB-CB 4.39Å; L604-V615 HydrophobicContact CB-CG2 3.88Å; L604-V615 HydrophobicContact CD1-CG2 4.16Å; L604-V615 HydrophobicContact CG-CG2 4.45Å; L604-L638 HydrophobicContact CD1-CB 3.98Å; L604-L638 HydrophobicContact CD1-CD2 4.41Å; L604-V640 HydrophobicContact CD1-CG2 4.33Å
605L89.9Confident90.4Very high94 Ų9458.3 Ų58.349%0.49233%0.333SS..EExtended strand (participates in β ladder)trans-79.9-41.9177.5-76.9179.4000112.8Q603 V639 L641 T653Q603-L605 PolarHBondContact O-N 2.85Å; L605-V639 PolarHBondContact N-O 2.79Å; L605-L641 HydrophobicContact CD1-CB 3.71Å; L605-L641 HydrophobicContact CD1-CD1 3.98Å; L605-L641 HydrophobicContact CD1-CD2 4.32Å; L605-L641 HydrophobicContact CD1-CG 4.24Å; L605-L641 HydrophobicContact CD2-CB 4.42Å; L605-L641 HydrophobicContact CD2-CD2 4.32Å; L605-L641 HydrophobicContact CG-CB 3.73Å; L605-L641 HydrophobicContact CG-CD2 4.45Å; L605-T653 HydrophobicContact CD1-CG2 4.22Å
606K89.8Confident90.4Very high133 Ų13361.5 Ų61.558%0.57833%0.327SS*.EExtended strand (participates in β ladder)trans-147.3137-174.1-166.8166.2-175.4165.20110.6L638 V639K606-L638 CarbonylContact O-C 3.58Å; K606-L638 WeakPolarHBondContact O-CA 3.46Å; K606-V639 HydrophobicContact CB-CB 4.14Å; K606-V639 HydrophobicContact CB-CG2 4.29Å; K606-V639 PolarHBondContact N-O 2.84Å; K606-V639 PolarHBondContact O-N 2.9Å
607A89.7Confident90.4Very high23 Ų2359.1 Ų59.119%0.1933%0.326CS..EExtended strand (participates in β ladder)trans-131151.2171.600000109.2L604 E609 L638L604-A607 HydrophobicContact CD2-CB 4.31Å; A607-E609 VanDerWaalsContact C-N 3.3Å; A607-E609 WeakPolarHBondContact CB-O 3.49Å; A607-L638 HydrophobicContact CB-CD2 3.49Å; A607-L638 VanDerWaalsContact CB-CD2 3.49Å
608T87.8Confident90.3Very high63 Ų6364.1 Ų64.139%0.38735%0.348SS..SBendtrans-59.5-43.6167.3-62.30000111.1A633 R637T608-A633 HydrophobicContact CG2-CB 4.42Å; T608-R637 PolarHBondContact N-O 3.39Å; T608-R637 VanDerWaalsContact N-O 3.09Å; T608-R637 PolarHBondContact OG1-N 2.88Å; T608-R637 PolarHBondContact OG1-O 2.88Å
609E86.5Confident90.1Very high59 Ų5964.1 Ų64.128%0.27634%0.343SS..SBendtrans-118.3107.9175.3-67.2-58.6156.500109.3A607 L612A607-E609 VanDerWaalsContact C-N 3.3Å; A607-E609 WeakPolarHBondContact CB-O 3.49Å; E609-L612 HydrophobicContact CB-CB 3.86Å; E609-L612 HydrophobicContact CB-CD2 3.95Å; E609-L612 HydrophobicContact CG-CD2 4.3Å; E609-L612 PolarHBondContact O-N 2.85Å
610P83.8Confident90Very high108 Ų10856.3 Ų56.370%0.70131%0.314SS*.THydrogen-bonded Turntrans-66.5136.4179.827.2-33.2000110.9L612P610-L612 VanDerWaalsContact C-N 3.26Å; P610-L612 PolarHBondContact O-N 2.79Å
611G84.6Confident90Very high51 Ų5156.8 Ų56.853%0.52632%0.315SS..THydrogen-bonded Turntrans75.24-179.800000115.5S625G611-S625 WeakPolarHBondContact O-CB 3.41Å
612L88.6Confident89.9Confident0 Ų054.7 Ų54.70%030%0.301CS..THydrogen-bonded Turntrans-81.9-36170.2-179.957.2000112.4E609 P610 S625 R626 L628 D632 H636E609-L612 HydrophobicContact CB-CB 3.86Å; E609-L612 HydrophobicContact CB-CD2 3.95Å; E609-L612 HydrophobicContact CG-CD2 4.3Å; E609-L612 PolarHBondContact O-N 2.85Å; P610-L612 VanDerWaalsContact C-N 3.26Å; P610-L612 PolarHBondContact O-N 2.79Å; L612-S625 PolarHBondContact O-N 3.24Å; L612-R626 HydrophobicContact CD1-CG 3.79Å; L612-L628 HydrophobicContact CD1-CD2 3.77Å; L612-L628 HydrophobicContact CD1-CG 4.36Å; L612-L628 HydrophobicContact CD2-CD2 3.88Å; L612-L628 HydrophobicContact CG-CD2 4.23Å; L612-D632 HydrophobicContact CD2-CB 4.28Å; L612-H636 VanDerWaalsContact CD2-CE1 3.43Å; L612-H636 WeakPolarHBondContact CD2-CE1 3.37Å; L612-H636 WeakPolarHBondContact CD2-NE2 3.27Å
613F90.8Very high89.8Confident4 Ų457.6 Ų57.62%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-122.3147.5177.2-58.5-83.3000110.4V584 L604 R623 T624 S625 H636 L638 L658V584-F613 HydrophobicContact CG2-CD1 4.14Å; V584-F613 HydrophobicContact CG2-CE1 3.97Å; L604-F613 WeakPolarHBondContact CD2-O 3.45Å; F613-R623 WeakPolarHBondContact CA-O 3.49Å; F613-T624 HydrophobicContact CD1-CG2 4.47Å; F613-T624 HydrophobicContact CE1-CG2 4.18Å; F613-S625 VanDerWaalsContact C-OG 3.3Å; F613-H636 HydrophobicContact CE2-CB 4.1Å; F613-H636 AromaticContact CE2-CD2 3.5Å; F613-H636 VanDerWaalsContact CE2-CD2 3.5Å; F613-H636 WeakPolarHBondContact CE2-CD2 3.44Å; F613-H636 AromaticContact CE2-CG 3.72Å; F613-H636 AromaticContact CE2-NE2 3.89Å; F613-H636 AromaticContact CZ-CD2 3.71Å; F613-L638 HydrophobicContact CB-CD1 3.74Å; F613-L638 HydrophobicContact CB-CD2 4.27Å; F613-L638 HydrophobicContact CD1-CD1 4.43Å; F613-L638 HydrophobicContact CD2-CD1 4.13Å; F613-L638 HydrophobicContact CD2-CD2 3.81Å; F613-L638 HydrophobicContact CD2-CG 4.48Å; F613-L638 HydrophobicContact CG-CD1 3.84Å; F613-L638 HydrophobicContact CG-CD2 4.29Å; F613-L658 HydrophobicContact CD1-CD1 3.89Å; F613-L658 HydrophobicContact CD2-CD1 4.22Å; F613-L658 HydrophobicContact CE1-CD1 3.53Å; F613-L658 HydrophobicContact CE2-CD1 3.88Å; F613-L658 HydrophobicContact CG-CD1 4.21Å; F613-L658 HydrophobicContact CZ-CD1 3.53Å
614G90.1Very high89.7Confident22 Ų2252.2 Ų52.223%0.22729%0.287CS..EExtended strand (participates in β ladder)trans-127.2152.117400000110.3V622 R623 S625G614-V622 WeakPolarHBondContact O-CA 3.37Å; G614-R623 PolarHBondContact N-O 3.07Å; G614-R623 PolarHBondContact O-N 2.75Å; G614-S625 PolarHBondContact N-OG 3.04Å; G614-S625 VanDerWaalsContact N-OG 3.08Å
615V92.9Very high89.5Confident26 Ų2653.1 Ų53.116%0.15830%0.297CS..EExtended strand (participates in β ladder)trans-118.4130.9176.2-177.30000108.5L604 E621 V622 V640L604-V615 HydrophobicContact CB-CB 4.39Å; L604-V615 HydrophobicContact CB-CG2 3.88Å; L604-V615 HydrophobicContact CD1-CG2 4.16Å; L604-V615 HydrophobicContact CG-CG2 4.45Å; V615-E621 WeakPolarHBondContact CA-O 3.33Å; V615-V622 HydrophobicContact CG2-CG1 4.36Å; V615-V622 HydrophobicContact CG2-CG2 4.14Å; V615-V640 HydrophobicContact CG1-CG1 3.96Å; V615-V640 HydrophobicContact CG2-CG1 4.34Å; V615-V640 HydrophobicContact CG2-CG2 3.87Å
616W92.1Very high89.4Confident127 Ų12752.9 Ų52.948%0.48129%0.29SS..  trans-78.3121.4177.1-84.992.6000111.5H618 N619 G620 E621W616-H618 AromaticContact CE3-CE1 3.42Å; W616-H618 VanDerWaalsContact CE3-CE1 3.42Å; W616-H618 AromaticContact CE3-ND1 3.97Å; W616-H618 AromaticContact CZ3-CE1 3.85Å; W616-H618 PolarHBondContact O-N 3.33Å; W616-H618 VanDerWaalsContact O-N 3.09Å; W616-N619 WeakPolarHBondContact CB-OD1 2.93Å; W616-N619 PolarHBondContact O-N 3.42Å; W616-G620 PolarHBondContact O-N 2.82Å; W616-E621 HydrophobicContact CB-CB 4.29Å; W616-E621 PolarHBondContact N-O 3.42Å
617A90Very high89.2Confident58 Ų5852.2 Ų52.248%0.47929%0.291SS..THydrogen-bonded Turntrans-66.6-16.8-165.200000116.3S601 Y602S601-A617 WeakPolarHBondContact CA-O 3.11Å; Y602-A617 PolarHBondContact N-O 3.42Å; Y602-A617 VanDerWaalsContact O-CA 3.29Å; Y602-A617 WeakPolarHBondContact O-CA 3.37Å
618H88.3Confident88.9Confident129 Ų12952.2 Ų52.260%0.59729%0.288SS*.THydrogen-bonded Turntrans-112.1-8.7-174.563.2-97.9000114.3W616W616-H618 AromaticContact CE3-CE1 3.42Å; W616-H618 VanDerWaalsContact CE3-CE1 3.42Å; W616-H618 AromaticContact CE3-ND1 3.97Å; W616-H618 AromaticContact CZ3-CE1 3.85Å; W616-H618 PolarHBondContact O-N 3.33Å; W616-H618 VanDerWaalsContact O-N 3.09Å
619N89.1Confident88.6Confident34 Ų3451.7 Ų51.718%0.18229%0.287CS..THydrogen-bonded Turntrans-139.2-1.7-17770.95000114.3K586 W616 E621K586-N619 WeakPolarHBondContact CE-O 3.28Å; K586-N619 WeakPolarHBondContact CG-O 3.35Å; W616-N619 WeakPolarHBondContact CB-OD1 2.93Å; W616-N619 PolarHBondContact O-N 3.42Å; N619-E621 VanDerWaalsContact ND2-CD 3.3Å; N619-E621 PolarHBondContact ND2-OE1 2.69Å; N619-E621 PolarHBondContact O-N 2.84Å; N619-E621 WeakPolarHBondContact OD1-CB 3.3Å; N619-E621 PolarHBondContact OD1-N 3.2Å
620G89.9Confident88.1Confident0 Ų057.8 Ų57.80%032%0.315CS..  trans71.68.5177.100000115.3V587 Y602 W616 V622V587-G620 PolarHBondContact N-O 2.8Å; Y602-G620 VanDerWaalsContact CD1-CA 3.49Å; Y602-G620 VanDerWaalsContact CG-CA 3.45Å; W616-G620 PolarHBondContact O-N 2.82Å; G620-V622 PolarHBondContact O-N 2.82Å
621E93.2Very high87.9Confident33 Ų3363.7 Ų63.715%0.15432%0.324CS..EExtended strand (participates in β ladder)trans-69.1125.4178.9-73.4-179.5-16400111.9L583 K586 V615 W616 N619 R623L583-E621 HydrophobicContact CD1-CB 3.84Å; L583-E621 HydrophobicContact CD1-CG 3.89Å; K586-E621 HydrophobicContact CB-CG 4.38Å; K586-E621 HydrophobicContact CD-CG 4.15Å; K586-E621 HydrophobicContact CG-CG 3.98Å; V615-E621 WeakPolarHBondContact CA-O 3.33Å; W616-E621 HydrophobicContact CB-CB 4.29Å; W616-E621 PolarHBondContact N-O 3.42Å; N619-E621 VanDerWaalsContact ND2-CD 3.3Å; N619-E621 PolarHBondContact ND2-OE1 2.69Å; N619-E621 PolarHBondContact O-N 2.84Å; N619-E621 WeakPolarHBondContact OD1-CB 3.3Å; N619-E621 PolarHBondContact OD1-N 3.2Å; E621-R623 IonicContact OE2-CZ 3.47Å; E621-R623 VanDerWaalsContact OE2-CZ 3.24Å; E621-R623 IonicContact OE2-NE 3.28Å; E621-R623 PolarHBondContact OE2-NE 3.13Å; E621-R623 IonicContact OE2-NH2 2.92Å; E621-R623 PolarHBondContact OE2-NH2 2.82Å
622V91.6Very high87.8Confident0 Ų061.9 Ų61.90%030%0.302CS..EExtended strand (participates in β ladder)trans-97.9120.2177.2-169.30000108.4V584 T585 V587 G614 V615 G620 L638 L656V584-V622 WeakPolarHBondContact CB-O 3.49Å; V584-V622 PolarHBondContact N-O 2.73Å; T585-V622 HydrophobicContact CG2-CB 3.99Å; T585-V622 HydrophobicContact CG2-CG2 3.95Å; T585-V622 PolarHBondContact N-O 3.05Å; T585-V622 PolarHBondContact O-N 2.9Å; V587-V622 HydrophobicContact CG2-CG2 4.11Å; G614-V622 WeakPolarHBondContact O-CA 3.37Å; V615-V622 HydrophobicContact CG2-CG1 4.36Å; V615-V622 HydrophobicContact CG2-CG2 4.14Å; G620-V622 PolarHBondContact O-N 2.82Å; V622-L638 HydrophobicContact CG1-CD1 3.7Å; V622-L656 HydrophobicContact CG2-CD1 3.72Å
623R92.1Very high87.6Confident82 Ų8263.7 Ų63.731%0.30932%0.317SS..EExtended strand (participates in β ladder)trans-129.6154.9-176-56-168.4178.3-1595.4111.8G581 Y582 L583 F613 G614 E621G581-R623 WeakPolarHBondContact O-CD 3.29Å; Y582-R623 CarbonylContact O-C 3.55Å; Y582-R623 WeakPolarHBondContact O-CA 3.17Å; Y582-R623 WeakPolarHBondContact O-CB 3.42Å; L583-R623 HydrophobicContact CD1-CG 4.15Å; F613-R623 WeakPolarHBondContact CA-O 3.49Å; G614-R623 PolarHBondContact N-O 3.07Å; G614-R623 PolarHBondContact O-N 2.75Å; E621-R623 IonicContact OE2-CZ 3.47Å; E621-R623 VanDerWaalsContact OE2-CZ 3.24Å; E621-R623 IonicContact OE2-NE 3.28Å; E621-R623 PolarHBondContact OE2-NE 3.13Å; E621-R623 IonicContact OE2-NH2 2.92Å; E621-R623 PolarHBondContact OE2-NH2 2.82Å
624T90.6Very high87.2Confident4 Ų465.7 Ų65.73%0.02533%0.334CS..EExtended strand (participates in β ladder)trans-65.1136168.255.30000109.8V574 A578 E579 G581 Y582 V584 F613V574-T624 HydrophobicContact CG1-CG2 4.48Å; A578-T624 HydrophobicContact CB-CG2 4.26Å; E579-T624 PolarHBondContact O-OG1 3.4Å; G581-T624 WeakPolarHBondContact CA-O 3.45Å; G581-T624 PolarHBondContact N-O 3.42Å; G581-T624 PolarHBondContact N-OG1 2.66Å; G581-T624 VanDerWaalsContact N-OG1 3.13Å; Y582-T624 WeakPolarHBondContact CB-OG1 3.47Å; Y582-T624 HydrophobicContact CD1-CG2 4.47Å; Y582-T624 PolarHBondContact N-OG1 3Å; Y582-T624 PolarHBondContact O-N 3.03Å; V584-T624 HydrophobicContact CG2-CG2 4.23Å; F613-T624 HydrophobicContact CD1-CG2 4.47Å; F613-T624 HydrophobicContact CE1-CG2 4.18Å
625S88.2Confident87Confident65 Ų6572.2 Ų72.246%0.45536%0.356SS..  trans-100.3-22.2178.2-61.80000113.1G611 L612 F613 G614G611-S625 WeakPolarHBondContact O-CB 3.41Å; L612-S625 PolarHBondContact O-N 3.24Å; F613-S625 VanDerWaalsContact C-OG 3.3Å; G614-S625 PolarHBondContact N-OG 3.04Å; G614-S625 VanDerWaalsContact N-OG 3.08Å
626R87.9Confident86.8Confident90 Ų9071.2 Ų71.234%0.3435%0.35SS..SBendtrans-145170.1174.862.8168.8178.584.1-7.5110.7L612 D632L612-R626 HydrophobicContact CD1-CG 3.79Å; R626-D632 IonicContact CZ-OD1 3.69Å; R626-D632 IonicContact CZ-OD2 2.82Å; R626-D632 IonicContact NH1-OD1 3.76Å; R626-D632 PolarHBondContact NH1-OD1 3.07Å; R626-D632 IonicContact NH1-OD2 2.83Å; R626-D632 PolarHBondContact NH1-OD2 3.41Å; R626-D632 IonicContact NH2-OD1 3.68Å; R626-D632 PolarHBondContact NH2-OD1 3.18Å; R626-D632 IonicContact NH2-OD2 3.93Å
627L85.4Confident86.6Confident118 Ų11871.3 Ų71.362%0.61835%0.35SS*.PPolyproline II helixtrans-59.8142.3170.2-74.3161000111.2P580P580-L627 HydrophobicContact CG-CD2 4.46Å; P580-L627 HydrophobicContact CG-CG 4.02Å
628L84.3Confident86.6Confident24 Ų2468.5 Ų68.513%0.12633%0.327CS..PPolyproline II helixtrans-80.2130.1176.4-71.4155.7000110.1V574 P575 A578 L612 L660V574-L628 HydrophobicContact CG1-CD1 4.07Å; P575-L628 WeakPolarHBondContact O-CD1 3.48Å; A578-L628 HydrophobicContact CB-CD1 4.04Å; L612-L628 HydrophobicContact CD1-CD2 3.77Å; L612-L628 HydrophobicContact CD1-CG 4.36Å; L612-L628 HydrophobicContact CD2-CD2 3.88Å; L612-L628 HydrophobicContact CG-CD2 4.23Å; L628-L660 HydrophobicContact CD1-CD2 4.21Å; L628-L660 HydrophobicContact CD2-CD1 3.8Å; L628-L660 HydrophobicContact CD2-CD2 3.65Å; L628-L660 HydrophobicContact CD2-CG 4.39Å
629S80.6Confident86.8Confident51 Ų5163.4 Ų63.436%0.35731%0.305SS..PPolyproline II helixtrans-101155.3177.3-169.90000111.2R576 R631 D632R576-S629 PolarHBondContact NH1-O 2.77Å; S629-R631 PolarHBondContact O-N 3.46Å; S629-R631 PolarHBondContact OG-N 2.89Å; S629-D632 WeakPolarHBondContact CB-OD2 3.44Å; S629-D632 PolarHBondContact N-OD2 3.33Å; S629-D632 WeakPolarHBondContact O-CB 3.47Å; S629-D632 PolarHBondContact O-N 2.84Å; S629-D632 VanDerWaalsContact O-N 3.07Å
630E76.1Confident86.9Confident187 Ų18761.8 Ų61.887%0.87430%0.297SS*.THydrogen-bonded Turntrans-59.8-21.1167.1-64.9-177.916900112.7
631R79Confident87.1Confident232 Ų23262.9 Ų62.988%0.87530%0.302SS*.THydrogen-bonded Turntrans-81-16.4176.1-60.5-174.7-177.1-169.31.2113.8S629S629-R631 PolarHBondContact O-N 3.46Å; S629-R631 PolarHBondContact OG-N 2.89Å
632D83.8Confident87.1Confident14 Ų1461.3 Ų61.38%0.07530%0.295CS..SBendtrans-75.1134.8-180-64.6-41.1000110.1R576 L612 R626 S629 A634 L660R576-D632 PolarHBondContact NH1-O 3.12Å; L612-D632 HydrophobicContact CD2-CB 4.28Å; R626-D632 IonicContact CZ-OD1 3.69Å; R626-D632 IonicContact CZ-OD2 2.82Å; R626-D632 IonicContact NH1-OD1 3.76Å; R626-D632 PolarHBondContact NH1-OD1 3.07Å; R626-D632 IonicContact NH1-OD2 2.83Å; R626-D632 PolarHBondContact NH1-OD2 3.41Å; R626-D632 IonicContact NH2-OD1 3.68Å; R626-D632 PolarHBondContact NH2-OD1 3.18Å; R626-D632 IonicContact NH2-OD2 3.93Å; S629-D632 WeakPolarHBondContact CB-OD2 3.44Å; S629-D632 PolarHBondContact N-OD2 3.33Å; S629-D632 WeakPolarHBondContact O-CB 3.47Å; S629-D632 PolarHBondContact O-N 2.84Å; S629-D632 VanDerWaalsContact O-N 3.07Å; D632-A634 PolarHBondContact O-N 3.37Å; D632-L660 HydrophobicContact CB-CD1 4.45Å
633A83.8Confident87.2Confident38 Ų3864.9 Ų64.931%0.31431%0.31SS..  trans-57.1130.4-175.400000112.3T608 K635 H636T608-A633 HydrophobicContact CG2-CB 4.42Å; A633-K635 PolarHBondContact O-N 3.25Å; A633-H636 PolarHBondContact O-CE1 3.03Å; A633-H636 PolarHBondContact O-NE2 3.05Å; A633-H636 VanDerWaalsContact O-NE2 3.09Å
634A82.6Confident87.3Confident45 Ų4561 Ų6137%0.37230%0.296SS..SBendtrans-62.5-20.1-175.400000114.8D632 L660D632-A634 PolarHBondContact O-N 3.37Å; A634-L660 PolarHBondContact O-N 2.85Å
635K86Confident87.3Confident160 Ų16065.1 Ų65.170%0.69632%0.317SS*.EExtended strand (participates in β ladder)trans-120.7122175.8-70-179-179.8-176.70109.5A633 L658 L659A633-K635 PolarHBondContact O-N 3.25Å; K635-L658 WeakPolarHBondContact CA-O 3.43Å; K635-L659 HydrophobicContact CD-CD1 4.42Å; K635-L659 HydrophobicContact CG-CD1 3.61Å
636H87.6Confident87.4Confident5 Ų562.2 Ų62.22%0.02330%0.298CS..EExtended strand (participates in β ladder)trans-111148.1172.5-52.2-75.6000111L612 F613 A633 L658 L660L612-H636 VanDerWaalsContact CD2-CE1 3.43Å; L612-H636 WeakPolarHBondContact CD2-CE1 3.37Å; L612-H636 WeakPolarHBondContact CD2-NE2 3.27Å; F613-H636 HydrophobicContact CE2-CB 4.1Å; F613-H636 AromaticContact CE2-CD2 3.5Å; F613-H636 VanDerWaalsContact CE2-CD2 3.5Å; F613-H636 WeakPolarHBondContact CE2-CD2 3.44Å; F613-H636 AromaticContact CE2-CG 3.72Å; F613-H636 AromaticContact CE2-NE2 3.89Å; F613-H636 AromaticContact CZ-CD2 3.71Å; A633-H636 PolarHBondContact O-CE1 3.03Å; A633-H636 PolarHBondContact O-NE2 3.05Å; A633-H636 VanDerWaalsContact O-NE2 3.09Å; H636-L658 HydrophobicContact CB-CB 4.26Å; H636-L658 PolarHBondContact N-O 3.39Å; H636-L658 PolarHBondContact O-N 3.09Å; H636-L660 WeakPolarHBondContact NE2-CD1 3.5Å
637R89.4Confident87.3Confident128 Ų12866.6 Ų66.648%0.48332%0.323SS..EExtended strand (participates in β ladder)trans-119.4120.1167-165.8175.481.8-135.613.5108.3T608 T655 L656T608-R637 PolarHBondContact N-O 3.39Å; T608-R637 VanDerWaalsContact N-O 3.09Å; T608-R637 PolarHBondContact OG1-N 2.88Å; T608-R637 PolarHBondContact OG1-O 2.88Å; R637-T655 HydrophobicContact CG-CG2 3.68Å; R637-L656 CarbonylContact C-O 3.45Å; R637-L656 WeakPolarHBondContact CA-O 2.85Å
638L90.4Very high87.6Confident0 Ų065.9 Ų65.90%033%0.325CS..EExtended strand (participates in β ladder)trans-104.5144.2171.6-50-176.4000108.7L604 K606 A607 F613 V622 T655 L656 L658L604-L638 HydrophobicContact CD1-CB 3.98Å; L604-L638 HydrophobicContact CD1-CD2 4.41Å; K606-L638 CarbonylContact O-C 3.58Å; K606-L638 WeakPolarHBondContact O-CA 3.46Å; A607-L638 HydrophobicContact CB-CD2 3.49Å; A607-L638 VanDerWaalsContact CB-CD2 3.49Å; F613-L638 HydrophobicContact CB-CD1 3.74Å; F613-L638 HydrophobicContact CB-CD2 4.27Å; F613-L638 HydrophobicContact CD1-CD1 4.43Å; F613-L638 HydrophobicContact CD2-CD1 4.13Å; F613-L638 HydrophobicContact CD2-CD2 3.81Å; F613-L638 HydrophobicContact CD2-CG 4.48Å; F613-L638 HydrophobicContact CG-CD1 3.84Å; F613-L638 HydrophobicContact CG-CD2 4.29Å; V622-L638 HydrophobicContact CG1-CD1 3.7Å; L638-T655 WeakPolarHBondContact O-CA 3.5Å; L638-L656 HydrophobicContact CB-CB 4.04Å; L638-L656 PolarHBondContact N-O 2.87Å; L638-L656 PolarHBondContact O-N 2.89Å; L638-L658 HydrophobicContact CD1-CD1 3.62Å; L638-L658 HydrophobicContact CD1-CG 4.43Å; L638-L658 HydrophobicContact CG-CD1 4.03Å; L638-L658 HydrophobicContact CG-CG 4.5Å
639V91.2Very high87.9Confident22 Ų2267.7 Ų67.713%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-122.5111.5170.6-176.20000106.7L605 K606 T653 A654L605-V639 PolarHBondContact N-O 2.79Å; K606-V639 HydrophobicContact CB-CB 4.14Å; K606-V639 HydrophobicContact CB-CG2 4.29Å; K606-V639 PolarHBondContact N-O 2.84Å; K606-V639 PolarHBondContact O-N 2.9Å; V639-T653 HydrophobicContact CG1-CG2 4.25Å; V639-A654 WeakPolarHBondContact CA-O 3.38Å
640V91.6Very high88.5Confident0 Ų069.7 Ų69.70%034%0.338CS..EExtended strand (participates in β ladder)trans-100.5127.2178.5-174.10000107.8V587 Q603 L604 V615 T653 A654 L656V587-V640 HydrophobicContact CG2-CB 4.18Å; V587-V640 HydrophobicContact CG2-CG1 4.2Å; V587-V640 HydrophobicContact CG2-CG2 4.08Å; Q603-V640 CarbonylContact O-C 3.59Å; Q603-V640 WeakPolarHBondContact O-CA 3.44Å; L604-V640 HydrophobicContact CD1-CG2 4.33Å; V615-V640 HydrophobicContact CG1-CG1 3.96Å; V615-V640 HydrophobicContact CG2-CG1 4.34Å; V615-V640 HydrophobicContact CG2-CG2 3.87Å; V640-T653 CarbonylContact O-C 3.49Å; V640-T653 WeakPolarHBondContact O-CA 3.14Å; V640-A654 HydrophobicContact CB-CB 4.44Å; V640-A654 PolarHBondContact N-O 3.17Å; V640-A654 PolarHBondContact O-N 2.87Å; V640-L656 HydrophobicContact CG2-CD1 4.12Å
641L93.4Very high89.3Confident23 Ų2363.9 Ų63.912%0.1232%0.318CS..EExtended strand (participates in β ladder)trans-83.7129.6166.4-170.969.5000108.2Y602 Q603 L605 K643 T653Y602-L641 CarbonylContact C-O 3.16Å; Y602-L641 WeakPolarHBondContact CA-O 3.34Å; Q603-L641 HydrophobicContact CB-CB 4.48Å; Q603-L641 PolarHBondContact N-O 3.29Å; Q603-L641 PolarHBondContact O-N 3.09Å; L605-L641 HydrophobicContact CD1-CB 3.71Å; L605-L641 HydrophobicContact CD1-CD1 3.98Å; L605-L641 HydrophobicContact CD1-CD2 4.32Å; L605-L641 HydrophobicContact CD1-CG 4.24Å; L605-L641 HydrophobicContact CD2-CB 4.42Å; L605-L641 HydrophobicContact CD2-CD2 4.32Å; L605-L641 HydrophobicContact CG-CB 3.73Å; L605-L641 HydrophobicContact CG-CD2 4.45Å; L641-K643 HydrophobicContact CD2-CB 4.24Å; L641-K643 HydrophobicContact CG-CB 4.27Å; L641-T653 HydrophobicContact CD1-CG2 3.79Å
642V94.1Very high90Very high0 Ų054.1 Ų54.10%029%0.286CS..EExtended strand (participates in β ladder)trans-101127.7159.1-170.80000106.1P557 V559 V587 A589 L600 S601 Y602 S651 A652P557-V642 HydrophobicContact CB-CB 4.16Å; P557-V642 HydrophobicContact CB-CG1 3.74Å; P557-V642 HydrophobicContact CG-CG1 4.42Å; V559-V642 HydrophobicContact CG2-CG2 4.04Å; V587-V642 HydrophobicContact CG1-CG2 3.98Å; A589-V642 HydrophobicContact CB-CB 4.35Å; A589-V642 HydrophobicContact CB-CG1 3.75Å; A589-V642 HydrophobicContact CB-CG2 4.04Å; L600-V642 HydrophobicContact CB-CG1 4.21Å; L600-V642 HydrophobicContact CD1-CG1 4.12Å; L600-V642 HydrophobicContact CD2-CG1 4.1Å; L600-V642 HydrophobicContact CG-CG1 4.38Å; S601-V642 WeakPolarHBondContact O-CA 3.39Å; Y602-V642 HydrophobicContact CD1-CG1 4.36Å; Y602-V642 HydrophobicContact CD1-CG2 3.82Å; Y602-V642 HydrophobicContact CE1-CB 4.48Å; Y602-V642 HydrophobicContact CE1-CG1 4Å; Y602-V642 HydrophobicContact CE1-CG2 3.75Å; V642-S651 CarbonylContact O-C 3.59Å; V642-S651 WeakPolarHBondContact O-CA 3.4Å; V642-S651 WeakPolarHBondContact O-CB 3.44Å; V642-A652 PolarHBondContact N-O 3.3Å; V642-A652 PolarHBondContact O-N 3.15Å
643K93.3Very high90.3Very high75 Ų7557 Ų5733%0.32631%0.305SS..EExtended strand (participates in β ladder)trans-138128.6-176.1-172.5-154.2164.9-169.40109S601 L641 P649 R650S601-K643 PolarHBondContact N-O 2.9Å; S601-K643 PolarHBondContact O-N 3.47Å; S601-K643 PolarHBondContact OG-O 2.86Å; L641-K643 HydrophobicContact CD2-CB 4.24Å; L641-K643 HydrophobicContact CG-CB 4.27Å; K643-P649 HydrophobicContact CD-CB 4.49Å; K643-P649 VanDerWaalsContact CE-CG 3.4Å; K643-P649 HydrophobicContact CG-CB 4.45Å; K643-R650 WeakPolarHBondContact CA-O 3.39Å; K643-R650 WeakPolarHBondContact CG-O 3.37Å
644D94.3Very high90.6Very high0 Ų055.1 Ų55.10%029%0.29CS..  trans-70.1177.9170.553.677000113N553 P557 N597 W599 L600 G646 P649 R650N553-D644 PolarHBondContact ND2-OD1 3.31Å; N553-D644 PolarHBondContact OD1-OD1 2.96Å; P557-D644 WeakPolarHBondContact CD-OD2 3.02Å; P557-D644 HydrophobicContact CG-CB 4.27Å; N597-D644 WeakPolarHBondContact O-CB 3.42Å; W599-D644 CarbonylContact O-C 3.6Å; W599-D644 WeakPolarHBondContact O-CA 3.47Å; L600-D644 HydrophobicContact CD2-CB 4.41Å; D644-G646 PolarHBondContact OD1-N 3.2Å; D644-P649 WeakPolarHBondContact OD1-CA 3.18Å; D644-R650 VanDerWaalsContact CG-N 3.29Å; D644-R650 PolarHBondContact N-O 3.04Å; D644-R650 PolarHBondContact OD1-N 3.35Å; D644-R650 WeakPolarHBondContact OD2-CA 3.44Å; D644-R650 WeakPolarHBondContact OD2-CB 3.37Å; D644-R650 PolarHBondContact OD2-N 3.48Å
645N91.5Very high90.9Very high90 Ų9055.1 Ų55.148%0.48129%0.285SS..SBendtrans-112.519.2177-157.449.7000112.7Q596 W599Q596-N645 CarbonylContact O-C 3.51Å; Q596-N645 WeakPolarHBondContact O-CB 3.29Å; Q596-N645 PolarHBondContact O-N 3.22Å; Q596-N645 PolarHBondContact OE1-ND2 3.25Å; W599-N645 HydrophobicContact CB-CB 4.03Å; W599-N645 HydrophobicContact CG-CB 4.46Å; W599-N645 PolarHBondContact O-N 2.87Å
646G89.4Confident91Very high5 Ų547.5 Ų47.55%0.05225%0.252CS..SBendtrans-78175.5174.800000113.2Q596 N597 D644 P648 P649Q596-G646 PolarHBondContact O-N 3.31Å; N597-G646 VanDerWaalsContact OD1-CA 3.32Å; N597-G646 WeakPolarHBondContact OD1-CA 3.15Å; D644-G646 PolarHBondContact OD1-N 3.2Å; G646-P648 CarbonylContact O-C 3.54Å; G646-P649 WeakPolarHBondContact O-CA 3.06Å; G646-P649 VanDerWaalsContact O-CB 3.26Å; G646-P649 WeakPolarHBondContact O-CB 3.43Å; G646-P649 WeakPolarHBondContact O-CD 3.46Å; G646-P649 VanDerWaalsContact O-N 3.09Å
647E86.1Confident90.9Very high182 Ų18250.3 Ų50.385%0.8527%0.265SS*.SBendtrans-126.8118.6175.8-70.3-165.316300111.3
648P90.9Very high90.9Very high102 Ų10244.4 Ų44.466%0.66224%0.243SC*.SBendcis-70.1141.3-7.331.7-34.5000110.7N553 G646N553-P648 PolarHBondContact ND2-O 3.31Å; G646-P648 CarbonylContact O-C 3.54Å
649P91.3Very high90.7Very high62 Ų6246.9 Ų46.940%0.40326%0.256SS..  trans-74.4140.6-175.728.5-34.3000111.3K643 D644 G646K643-P649 HydrophobicContact CD-CB 4.49Å; K643-P649 VanDerWaalsContact CE-CG 3.4Å; K643-P649 HydrophobicContact CG-CB 4.45Å; D644-P649 WeakPolarHBondContact OD1-CA 3.18Å; G646-P649 WeakPolarHBondContact O-CA 3.06Å; G646-P649 VanDerWaalsContact O-CB 3.26Å; G646-P649 WeakPolarHBondContact O-CB 3.43Å; G646-P649 WeakPolarHBondContact O-CD 3.46Å; G646-P649 VanDerWaalsContact O-N 3.09Å
650R93.1Very high90.4Very high94 Ų9446.3 Ų46.336%0.35525%0.252SS..  trans-105.2174.9178.9-62.4171170.4-137.411.1109.5N553 D554 N555 K643 D644N553-R650 PolarHBondContact ND2-N 2.92Å; N553-R650 VanDerWaalsContact O-CZ 3.26Å; N553-R650 PolarHBondContact O-NE 2.82Å; N553-R650 PolarHBondContact O-NH2 3.05Å; N553-R650 VanDerWaalsContact O-NH2 3.15Å; D554-R650 VanDerWaalsContact C-CZ 3.48Å; D554-R650 VanDerWaalsContact CA-NH2 3.33Å; D554-R650 PolarHBondContact O-NH1 2.92Å; D554-R650 PolarHBondContact O-NH2 2.88Å; N555-R650 WeakPolarHBondContact O-CD 3.17Å; N555-R650 PolarHBondContact O-NE 2.87Å; N555-R650 PolarHBondContact O-NH1 2.58Å; K643-R650 WeakPolarHBondContact CA-O 3.39Å; K643-R650 WeakPolarHBondContact CG-O 3.37Å; D644-R650 VanDerWaalsContact CG-N 3.29Å; D644-R650 PolarHBondContact N-O 3.04Å; D644-R650 PolarHBondContact OD1-N 3.35Å; D644-R650 WeakPolarHBondContact OD2-CA 3.44Å; D644-R650 WeakPolarHBondContact OD2-CB 3.37Å; D644-R650 PolarHBondContact OD2-N 3.48Å
651S93.3Very high89.9Confident64 Ų6447.6 Ų47.645%0.44826%0.26SS..EExtended strand (participates in β ladder)trans-167.1153.5-175.560.60000113.2V642V642-S651 CarbonylContact O-C 3.59Å; V642-S651 WeakPolarHBondContact O-CA 3.4Å; V642-S651 WeakPolarHBondContact O-CB 3.44Å
652A92.3Very high89Confident27 Ų2752.3 Ų52.322%0.22329%0.285CS..EExtended strand (participates in β ladder)trans-128.6161.6167.100000110.9P557 V559 V642P557-A652 WeakPolarHBondContact O-CB 3.42Å; V559-A652 HydrophobicContact CG2-CB 4.34Å; V642-A652 PolarHBondContact N-O 3.3Å; V642-A652 PolarHBondContact O-N 3.15Å
653T91.3Very high87.6Confident74 Ų7453.4 Ų53.445%0.45430%0.297SS..EExtended strand (participates in β ladder)trans-114.9131.9177.957.40000111.5L605 V639 V640 L641L605-T653 HydrophobicContact CD1-CG2 4.22Å; V639-T653 HydrophobicContact CG1-CG2 4.25Å; V640-T653 CarbonylContact O-C 3.49Å; V640-T653 WeakPolarHBondContact O-CA 3.14Å; L641-T653 HydrophobicContact CD1-CG2 3.79Å
654A89.5Confident86Confident0 Ų056 Ų560%031%0.308CS..EExtended strand (participates in β ladder)trans-102116.5170.600000109.1V559 V587 V639 V640V559-A654 HydrophobicContact CG1-CB 3.89Å; V559-A654 HydrophobicContact CG2-CB 4.12Å; V587-A654 HydrophobicContact CG1-CB 3.81Å; V587-A654 HydrophobicContact CG2-CB 4.39Å; V639-A654 WeakPolarHBondContact CA-O 3.38Å; V640-A654 HydrophobicContact CB-CB 4.44Å; V640-A654 PolarHBondContact N-O 3.17Å; V640-A654 PolarHBondContact O-N 2.87Å
655T88.6Confident84Confident45 Ų4561.3 Ų61.328%0.27635%0.345SS..EExtended strand (participates in β ladder)trans-86.6131.5168.4-58.10000109.5Q564 R637 L638Q564-T655 PolarHBondContact NE2-O 3.15Å; R637-T655 HydrophobicContact CG-CG2 3.68Å; L638-T655 WeakPolarHBondContact O-CA 3.5Å
656L87.8Confident81.7Confident0 Ų062.8 Ų62.80%035%0.349CS..EExtended strand (participates in β ladder)trans-119.7126.3179.5-92.2166.7000109.2P562 E572 T585 V587 V622 R637 L638 V640P562-L656 HydrophobicContact CB-CD2 4.4Å; P562-L656 HydrophobicContact CG-CD2 3.64Å; P562-L656 HydrophobicContact CG-CG 4Å; E572-L656 HydrophobicContact CG-CD2 4.26Å; T585-L656 HydrophobicContact CG2-CD1 3.88Å; T585-L656 HydrophobicContact CG2-CD2 3.64Å; T585-L656 HydrophobicContact CG2-CG 4.44Å; V587-L656 HydrophobicContact CG2-CD1 3.86Å; V622-L656 HydrophobicContact CG2-CD1 3.72Å; R637-L656 CarbonylContact C-O 3.45Å; R637-L656 WeakPolarHBondContact CA-O 2.85Å; L638-L656 HydrophobicContact CB-CB 4.04Å; L638-L656 PolarHBondContact N-O 2.87Å; L638-L656 PolarHBondContact O-N 2.89Å; V640-L656 HydrophobicContact CG2-CD1 4.12Å
657H87.4Confident79.5Confident64 Ų6468.6 Ų68.630%0.29639%0.386SS..EExtended strand (participates in β ladder)trans-102.6123.2172.4-68.9-86000108.5T571 E572T571-H657 CarbonylContact C-O 3.49Å; T571-H657 VanDerWaalsContact CA-O 3.28Å; T571-H657 WeakPolarHBondContact CA-O 3.28Å; T571-H657 HydrophobicContact CG2-CB 4.44Å; E572-H657 PolarHBondContact N-O 3.36Å
658L88.2Confident77.6Confident3 Ų369.2 Ų69.22%0.01638%0.382CS..EExtended strand (participates in β ladder)trans-117136.8178.7-48.3-177.6000109.5E572 V574 V584 F613 K635 H636 L638E572-L658 HydrophobicContact CB-CD2 3.71Å; E572-L658 HydrophobicContact CG-CD2 4.25Å; E572-L658 WeakPolarHBondContact O-CA 3.31Å; V574-L658 HydrophobicContact CG2-CB 4.42Å; V584-L658 HydrophobicContact CG1-CD1 4.06Å; V584-L658 HydrophobicContact CG1-CD2 3.56Å; V584-L658 HydrophobicContact CG1-CG 4.44Å; F613-L658 HydrophobicContact CD1-CD1 3.89Å; F613-L658 HydrophobicContact CD2-CD1 4.22Å; F613-L658 HydrophobicContact CE1-CD1 3.53Å; F613-L658 HydrophobicContact CE2-CD1 3.88Å; F613-L658 HydrophobicContact CG-CD1 4.21Å; F613-L658 HydrophobicContact CZ-CD1 3.53Å; K635-L658 WeakPolarHBondContact CA-O 3.43Å; H636-L658 HydrophobicContact CB-CB 4.26Å; H636-L658 PolarHBondContact N-O 3.39Å; H636-L658 PolarHBondContact O-N 3.09Å; L638-L658 HydrophobicContact CD1-CD1 3.62Å; L638-L658 HydrophobicContact CD1-CG 4.43Å; L638-L658 HydrophobicContact CG-CD1 4.03Å; L638-L658 HydrophobicContact CG-CG 4.5Å
659L86.1Confident75.1Confident52 Ų5272 Ų7227%0.27239%0.391SS..EExtended strand (participates in β ladder)trans-117.5122.3173.2-176.472.5000109.4T571 E572 L573 V574 K635 V661T571-L659 HydrophobicContact CG2-CB 3.85Å; E572-L659 PolarHBondContact O-N 2.9Å; L573-L659 HydrophobicContact CD2-CB 4.02Å; L573-L659 HydrophobicContact CD2-CD2 3.9Å; L573-L659 HydrophobicContact CD2-CG 4.42Å; V574-L659 PolarHBondContact N-O 2.94Å; K635-L659 HydrophobicContact CD-CD1 4.42Å; K635-L659 HydrophobicContact CG-CD1 3.61Å; L659-V661 HydrophobicContact CD2-CG1 4.23Å; L659-V661 HydrophobicContact CG-CG1 4.29Å
660L85.3Confident72.6Confident10 Ų1074.6 Ų74.65%0.05241%0.407CS..EExtended strand (participates in β ladder)trans-75.8125.6172.4-58.1-172.7000109.7V574 R576 L628 D632 A634 H636V574-L660 HydrophobicContact CB-CD2 4.03Å; V574-L660 HydrophobicContact CG1-CD2 4.23Å; V574-L660 WeakPolarHBondContact O-CA 3.49Å; R576-L660 HydrophobicContact CG-CB 4.22Å; L628-L660 HydrophobicContact CD1-CD2 4.21Å; L628-L660 HydrophobicContact CD2-CD1 3.8Å; L628-L660 HydrophobicContact CD2-CD2 3.65Å; L628-L660 HydrophobicContact CD2-CG 4.39Å; D632-L660 HydrophobicContact CB-CD1 4.45Å; A634-L660 PolarHBondContact O-N 2.85Å; H636-L660 WeakPolarHBondContact NE2-CD1 3.5Å
661V81.9Confident69.9Low28 Ų2878 Ų7817%0.1743%0.431CS..EExtended strand (participates in β ladder)trans-121.7141.1177.7-64.50000111L573 V574 P575 R576 L659 G663 F664L573-V661 HydrophobicContact CB-CG2 4.45Å; L573-V661 HydrophobicContact CD2-CG1 4.14Å; V574-V661 PolarHBondContact O-N 3.29Å; P575-V661 CarbonylContact C-O 3.54Å; P575-V661 VanDerWaalsContact CA-O 3.31Å; P575-V661 WeakPolarHBondContact CA-O 3.35Å; R576-V661 PolarHBondContact N-O 2.98Å; L659-V661 HydrophobicContact CD2-CG1 4.23Å; L659-V661 HydrophobicContact CG-CG1 4.29Å; V661-G663 PolarHBondContact O-N 2.92Å; V661-F664 HydrophobicContact CG2-CD1 4.24Å; V661-F664 HydrophobicContact CG2-CE1 4.32Å
662D73.5Confident67.5Low121 Ų12180.2 Ų80.265%0.64745%0.445SS*.SBendtrans-79.2-8.6-178.4-55.2-28.9000112.1R576R576-D662 WeakPolarHBondContact CD-OD1 3.38Å; R576-D662 WeakPolarHBondContact CG-OD1 3.21Å; R576-D662 IonicContact CZ-OD1 3.98Å; R576-D662 IonicContact NE-OD1 2.68Å; R576-D662 PolarHBondContact NE-OD1 3.44Å
663G64.1Low65.2Low24 Ų2488.8 Ų88.825%0.24748%0.48CS..  trans176.2147.6167.900000111.2V661 S665V661-G663 PolarHBondContact O-N 2.92Å; G663-S665 PolarHBondContact O-N 3.04Å
664F60.8Low62.8Low128 Ų12889.6 Ų89.656%0.56149%0.494SS*.THydrogen-bonded Turntrans-69.62.3-179.8-62.7-74.2000114.6L573 P575 V661L573-F664 HydrophobicContact CB-CD1 4.34Å; L573-F664 HydrophobicContact CB-CE1 3.82Å; P575-F664 HydrophobicContact CB-CD2 4.48Å; P575-F664 HydrophobicContact CB-CE2 3.81Å; P575-F664 HydrophobicContact CB-CZ 4.12Å; P575-F664 HydrophobicContact CG-CE2 3.74Å; P575-F664 HydrophobicContact CG-CZ 3.87Å; V661-F664 HydrophobicContact CG2-CD1 4.24Å; V661-F664 HydrophobicContact CG2-CE1 4.32Å
665S52.3Low60.4Low112 Ų11294 Ų9478%0.78353%0.531SS*.THydrogen-bonded Turntrans-1029.8-172.250.10000114.7G663G663-S665 PolarHBondContact O-N 3.04Å
666Q43.6Very low57.9Low122 Ų12296.8 Ų96.857%0.5756%0.558SS**  trans-103.3121.1176.9-73.2-173.9-11.800112.5Y668Q666-Y668 HydrophobicContact CB-CD2 4.12Å; Q666-Y668 PolarHBondContact O-N 2.76Å
667P43.1Very low55.7Low126 Ų126101.1 Ų101.182%0.81859%0.594SS**  trans-82.380.5177.433.9-34.2000111
668Y45.6Very low53.5Low196 Ų196106.7 Ų106.777%0.76962%0.62SS**  trans-116.683.4170.9-80.2-70.3000111.9Q666Q666-Y668 HydrophobicContact CB-CD2 4.12Å; Q666-Y668 PolarHBondContact O-N 2.76Å
669L39.4Very low51.3Low161 Ų161111.3 Ų111.384%0.84366%0.659SS**  trans-164.2118147.7-105.9168.7000108.7L671L669-L671 PolarHBondContact O-N 2.99Å
670P38.9Very low49.7Very low116 Ų116117.3 Ų117.375%0.75369%0.685SS**PPolyproline II helixtrans-69.8126.5163.928.7-30.1000108.6
671L34.8Very low47.9Very low164 Ų164120.7 Ų120.786%0.85972%0.715SS**PPolyproline II helixtrans-60.8131.9168.6-77.5160.3000109L669L669-L671 PolarHBondContact O-N 2.99Å
672P44.2Very low46.7Very low112 Ų112124 Ų12473%0.72773%0.732SS**PPolyproline II helixtrans-61.1138.9159.8-15.129.4000108.6A674P672-A674 PolarHBondContact O-N 2.9Å
673E43.1Very low46.2Very low206 Ų206121.6 Ų121.696%0.96373%0.725SS**  trans-68.179.2168.3-73.9-178.5126.700109.9A675E673-A675 PolarHBondContact O-N 3.36Å
674A40.7Very low46.2Very low91 Ų91126.4 Ų126.475%0.75274%0.744SS**  trans-71115160.500000107.5P672P672-A674 PolarHBondContact O-N 2.9Å
675A38.5Very low46.7Very low93 Ų93124 Ų12477%0.76974%0.74SS**  trans-51.8143.4172.100000110.1E673 A677E673-A675 PolarHBondContact O-N 3.36Å; A675-A677 VanDerWaalsContact C-N 3.33Å; A675-A677 PolarHBondContact O-N 3.48Å
676A37Very low47.4Very low104 Ų104122.6 Ų122.686%0.8673%0.726SS**  trans-63.392179.300000110.6Q678A676-Q678 PolarHBondContact O-N 3.5Å
677A41.5Very low48.9Very low91 Ų91124.8 Ų124.875%0.75273%0.73SS**  trans-61.4123164.600000107.3A675 A679A675-A677 VanDerWaalsContact C-N 3.33Å; A675-A677 PolarHBondContact O-N 3.48Å; A677-A679 PolarHBondContact O-N 3.04Å; A677-A679 VanDerWaalsContact O-N 3.08Å
678Q42.1Very low50.6Low180 Ų180124.2 Ų124.284%0.84172%0.72SS**  trans-58.1119176.4-80.7158.6-72.300108.8A676 Q680A676-Q678 PolarHBondContact O-N 3.5Å; Q678-Q680 VanDerWaalsContact C-N 3.25Å; Q678-Q680 PolarHBondContact O-N 3.27Å
679A40.4Very low52.1Low100 Ų100119.6 Ų119.683%0.82671%0.712SS**  trans-66.790.5170.700000108.3A677 A681A677-A679 PolarHBondContact O-N 3.04Å; A677-A679 VanDerWaalsContact O-N 3.08Å; A679-A681 PolarHBondContact O-N 2.89Å
680Q53.2Low53.9Low178 Ų178115.9 Ų115.983%0.83270%0.696SS**  trans-60.9103.9163.6-149.694.4-4.600105.7Q678 D682Q678-Q680 VanDerWaalsContact C-N 3.25Å; Q678-Q680 PolarHBondContact O-N 3.27Å; Q680-D682 PolarHBondContact O-N 3.1Å
681A46.8Very low55.8Low81 Ų81112.6 Ų112.667%0.66968%0.678SS**  trans-63.3108.9-179.200000108.7A679 S683A679-A681 PolarHBondContact O-N 2.89Å; A681-S683 PolarHBondContact O-N 3.42Å
682D57.5Low58.1Low98 Ų98110 Ų11052%0.52467%0.665SS.*  trans-65.9122.3-177.3-171.17.2000109.4Q680 L684 T685Q680-D682 PolarHBondContact O-N 3.1Å; D682-L684 PolarHBondContact O-N 2.86Å; D682-L684 VanDerWaalsContact O-N 3.12Å; D682-T685 HydrophobicContact CB-CG2 4.38Å; D682-T685 PolarHBondContact O-N 3.36Å; D682-T685 PolarHBondContact O-OG1 3.33Å
683S63Low59.8Low71 Ų71107.5 Ų107.550%0.49765%0.653SS.*Hα-helixtrans-61.2-29.7-168.362.20000112A681 T685 V686 Y687A681-S683 PolarHBondContact O-N 3.42Å; S683-T685 VanDerWaalsContact C-N 3.32Å; S683-T685 PolarHBondContact O-N 3.03Å; S683-V686 PolarHBondContact O-N 2.82Å; S683-Y687 WeakPolarHBondContact O-CD2 3.41Å; S683-Y687 PolarHBondContact O-N 3.45Å
684L64.1Low61.6Low125 Ų125100.2 Ų100.265%0.65463%0.625SS**Hα-helixtrans-58.6-38.2173.6-113.1121000113.3D682 V686 Y687 L688D682-L684 PolarHBondContact O-N 2.86Å; D682-L684 VanDerWaalsContact O-N 3.12Å; L684-V686 VanDerWaalsContact C-N 3.33Å; L684-V686 PolarHBondContact O-N 3.4Å; L684-Y687 PolarHBondContact O-N 2.71Å; L684-L688 WeakPolarHBondContact O-CB 3.46Å; L684-L688 PolarHBondContact O-N 3.46Å
685T70.4Confident63.8Low78 Ų78100.5 Ų100.548%0.47962%0.618SS.*Hα-helixtrans-68.4-35.1178.264.30000111.8D682 S683 V689D682-T685 HydrophobicContact CB-CG2 4.38Å; D682-T685 PolarHBondContact O-N 3.36Å; D682-T685 PolarHBondContact O-OG1 3.33Å; S683-T685 VanDerWaalsContact C-N 3.32Å; S683-T685 PolarHBondContact O-N 3.03Å; T685-V689 WeakPolarHBondContact O-CB 3.34Å; T685-V689 VanDerWaalsContact O-CG2 3.29Å; T685-V689 WeakPolarHBondContact O-CG2 3.29Å; T685-V689 PolarHBondContact O-N 3.49Å
686V68.4Low65.9Low81 Ų8199.4 Ų99.449%0.49160%0.604SS.*Hα-helixtrans-66.7-46.4173.9-1780000110.3S683 L684 L688 V689 V690S683-V686 PolarHBondContact O-N 2.82Å; L684-V686 VanDerWaalsContact C-N 3.33Å; L684-V686 PolarHBondContact O-N 3.4Å; V686-L688 PolarHBondContact O-N 3.36Å; V686-V689 PolarHBondContact O-N 3.21Å; V686-V690 HydrophobicContact CG1-CG2 4.4Å; V686-V690 WeakPolarHBondContact O-CB 3.4Å; V686-V690 VanDerWaalsContact O-CG2 3.26Å; V686-V690 WeakPolarHBondContact O-CG2 3.48Å; V686-V690 PolarHBondContact O-N 3.4Å
687Y75Confident68.1Low168 Ų16897.9 Ų97.966%0.65959%0.587SS**Hα-helixtrans-63.7-38.1176.5-74.1-65000112.9S683 L684 V690 A691S683-Y687 WeakPolarHBondContact O-CD2 3.41Å; S683-Y687 PolarHBondContact O-N 3.45Å; L684-Y687 PolarHBondContact O-N 2.71Å; Y687-V690 PolarHBondContact O-N 2.88Å; Y687-A691 VanDerWaalsContact O-CB 3.3Å; Y687-A691 WeakPolarHBondContact O-CB 3.42Å; Y687-A691 PolarHBondContact O-N 2.77Å
688L77.8Confident70.2Confident114 Ų11499.2 Ų99.260%0.59758%0.581SS**Hα-helixtrans-64.6-44.1176-164.887.7000111.8L684 V686 A691 L692L684-L688 WeakPolarHBondContact O-CB 3.46Å; L684-L688 PolarHBondContact O-N 3.46Å; V686-L688 PolarHBondContact O-N 3.36Å; L688-A691 PolarHBondContact O-N 3.03Å; L688-L692 WeakPolarHBondContact O-CB 3.31Å; L688-L692 PolarHBondContact O-N 2.77Å
689V77.8Confident72.2Confident99 Ų9997.5 Ų97.560%0.657%0.571SS**Hα-helixtrans-66-40.4176.3171.10000110.9T685 V686 L692 A693T685-V689 WeakPolarHBondContact O-CB 3.34Å; T685-V689 VanDerWaalsContact O-CG2 3.29Å; T685-V689 WeakPolarHBondContact O-CG2 3.29Å; T685-V689 PolarHBondContact O-N 3.49Å; V686-V689 PolarHBondContact O-N 3.21Å; V689-L692 PolarHBondContact O-N 2.88Å; V689-A693 WeakPolarHBondContact O-CB 3.46Å; V689-A693 PolarHBondContact O-N 3.46Å
690V77.7Confident74.4Confident84 Ų8498 Ų9851%0.50956%0.559SS.*Hα-helixtrans-64-40.2174.1169.10000111.4V686 Y687 S694V686-V690 HydrophobicContact CG1-CG2 4.4Å; V686-V690 WeakPolarHBondContact O-CB 3.4Å; V686-V690 VanDerWaalsContact O-CG2 3.26Å; V686-V690 WeakPolarHBondContact O-CG2 3.48Å; V686-V690 PolarHBondContact O-N 3.4Å; Y687-V690 PolarHBondContact O-N 2.88Å; V690-S694 VanDerWaalsContact O-CB 3.28Å; V690-S694 WeakPolarHBondContact O-CB 3.27Å; V690-S694 PolarHBondContact O-N 3.33Å; V690-S694 PolarHBondContact O-OG 2.94Å
691A77.9Confident75.9Confident47 Ų4794.3 Ų94.339%0.38855%0.545SS..Hα-helixtrans-65-49175.600000111.7Y687 L688 A693 S694 V695Y687-A691 VanDerWaalsContact O-CB 3.3Å; Y687-A691 WeakPolarHBondContact O-CB 3.42Å; Y687-A691 PolarHBondContact O-N 2.77Å; L688-A691 PolarHBondContact O-N 3.03Å; A691-A693 VanDerWaalsContact C-N 3.35Å; A691-A693 PolarHBondContact O-N 2.99Å; A691-S694 WeakPolarHBondContact CA-OG 3.3Å; A691-S694 PolarHBondContact O-N 3.26Å; A691-S694 PolarHBondContact O-OG 3.12Å; A691-S694 VanDerWaalsContact O-OG 3.1Å; A691-V695 WeakPolarHBondContact O-CB 3.34Å; A691-V695 WeakPolarHBondContact O-CG2 3.12Å; A691-V695 PolarHBondContact O-N 3.35Å
692L84.1Confident77.5Confident109 Ų10993.6 Ų93.657%0.57154%0.535SS*.Hα-helixtrans-61.3-41.2176.2-95.2160.3000112.5L688 V689 S696L688-L692 WeakPolarHBondContact O-CB 3.31Å; L688-L692 PolarHBondContact O-N 2.77Å; V689-L692 PolarHBondContact O-N 2.88Å; L692-S696 WeakPolarHBondContact O-CB 3.38Å; L692-S696 PolarHBondContact O-N 3.46Å; L692-S696 PolarHBondContact O-OG 3.32Å
693A79.4Confident78.7Confident59 Ų5992 Ų9249%0.48853%0.529SS..Hα-helixtrans-67.7-39.4176.300000112.2V689 A691 S697V689-A693 WeakPolarHBondContact O-CB 3.46Å; V689-A693 PolarHBondContact O-N 3.46Å; A691-A693 VanDerWaalsContact C-N 3.35Å; A691-A693 PolarHBondContact O-N 2.99Å; A693-S697 WeakPolarHBondContact O-CB 3.32Å; A693-S697 PolarHBondContact O-N 2.93Å
694S80Confident79.8Confident54 Ų5493.6 Ų93.638%0.37853%0.531SS..Hα-helixtrans-75.1-37.5179.452.40000113V690 A691 S697 L698V690-S694 VanDerWaalsContact O-CB 3.28Å; V690-S694 WeakPolarHBondContact O-CB 3.27Å; V690-S694 PolarHBondContact O-N 3.33Å; V690-S694 PolarHBondContact O-OG 2.94Å; A691-S694 WeakPolarHBondContact CA-OG 3.3Å; A691-S694 PolarHBondContact O-N 3.26Å; A691-S694 PolarHBondContact O-OG 3.12Å; A691-S694 VanDerWaalsContact O-OG 3.1Å; S694-S697 PolarHBondContact O-N 3.42Å; S694-L698 WeakPolarHBondContact O-CB 3.35Å; S694-L698 WeakPolarHBondContact O-CG 3.17Å; S694-L698 PolarHBondContact O-N 3.28Å
695V86.5Confident80.8Confident97 Ų9792.7 Ų92.759%0.58853%0.526SS*.Hα-helixtrans-64.7-44.1171.1172.30000110.7A691 S697 L698 F699A691-V695 WeakPolarHBondContact O-CB 3.34Å; A691-V695 WeakPolarHBondContact O-CG2 3.12Å; A691-V695 PolarHBondContact O-N 3.35Å; V695-S697 VanDerWaalsContact C-N 3.35Å; V695-S697 PolarHBondContact O-N 2.86Å; V695-L698 PolarHBondContact O-N 2.96Å; V695-F699 WeakPolarHBondContact O-CB 3.14Å; V695-F699 PolarHBondContact O-N 2.92Å
696S83.7Confident81.2Confident70 Ų7094.9 Ų94.949%0.4953%0.529SS..Hα-helixtrans-64.8-38176.1-62.80000112.1L692 L700L692-S696 WeakPolarHBondContact O-CB 3.38Å; L692-S696 PolarHBondContact O-N 3.46Å; L692-S696 PolarHBondContact O-OG 3.32Å; S696-L700 VanDerWaalsContact O-CB 3.27Å; S696-L700 WeakPolarHBondContact O-CB 3.18Å; S696-L700 PolarHBondContact O-N 2.83Å
697S82Confident81.8Confident71 Ų7194.2 Ų94.250%0.49753%0.525SS..Hα-helixtrans-66.7-44.1173.9-175.40000112.1A693 S694 V695 L700 L701A693-S697 WeakPolarHBondContact O-CB 3.32Å; A693-S697 PolarHBondContact O-N 2.93Å; S694-S697 PolarHBondContact O-N 3.42Å; V695-S697 VanDerWaalsContact C-N 3.35Å; V695-S697 PolarHBondContact O-N 2.86Å; S697-L700 PolarHBondContact O-N 3.39Å; S697-L701 WeakPolarHBondContact O-CB 3.15Å; S697-L701 PolarHBondContact O-N 2.78Å
698L85.4Confident82Confident120 Ų12088.5 Ų88.563%0.62851%0.512SS*.Hα-helixtrans-63.2-41175.2-82.4164.6000112.1S694 V695 S702S694-L698 WeakPolarHBondContact O-CB 3.35Å; S694-L698 WeakPolarHBondContact O-CG 3.17Å; S694-L698 PolarHBondContact O-N 3.28Å; V695-L698 PolarHBondContact O-N 2.96Å; L698-S702 WeakPolarHBondContact O-CB 3.4Å; L698-S702 PolarHBondContact O-N 2.83Å; L698-S702 PolarHBondContact O-OG 2.88Å
699F84.9Confident81.9Confident144 Ų14486.5 Ų86.563%0.63251%0.505SS*.Hα-helixtrans-63.2-47.8173.4-178.5-101.4000111.4V695 L701 S702 V703V695-F699 WeakPolarHBondContact O-CB 3.14Å; V695-F699 PolarHBondContact O-N 2.92Å; F699-L701 VanDerWaalsContact C-N 3.32Å; F699-L701 PolarHBondContact O-N 3.42Å; F699-S702 PolarHBondContact O-N 2.88Å; F699-S702 PolarHBondContact O-OG 2.69Å; F699-V703 HydrophobicContact CD1-CG2 4.44Å; F699-V703 HydrophobicContact CE1-CG2 4.08Å; F699-V703 HydrophobicContact CE2-CG2 4.43Å; F699-V703 HydrophobicContact CZ-CG2 4.08Å; F699-V703 WeakPolarHBondContact O-CG2 3.41Å; F699-V703 PolarHBondContact O-N 2.89Å
700L85.9Confident81.6Confident109 Ų10990.2 Ų90.257%0.57151%0.508SS*.Hα-helixtrans-66.6-35.1179.7-164.5138.4000112S696 S697 L704S696-L700 VanDerWaalsContact O-CB 3.27Å; S696-L700 WeakPolarHBondContact O-CB 3.18Å; S696-L700 PolarHBondContact O-N 2.83Å; S697-L700 PolarHBondContact O-N 3.39Å; L700-L704 HydrophobicContact CD2-CD1 3.65Å; L700-L704 HydrophobicContact CD2-CG 4.21Å; L700-L704 WeakPolarHBondContact O-CB 3.26Å; L700-L704 VanDerWaalsContact O-CG 3.28Å; L700-L704 WeakPolarHBondContact O-CG 3.47Å; L700-L704 PolarHBondContact O-N 2.83Å
701L85.5Confident81.3Confident102 Ų10291.3 Ų91.353%0.53451%0.511SS..Hα-helixtrans-71.2-36.9174.9-166.7138000111.9S697 F699 L704 L705S697-L701 WeakPolarHBondContact O-CB 3.15Å; S697-L701 PolarHBondContact O-N 2.78Å; F699-L701 VanDerWaalsContact C-N 3.32Å; F699-L701 PolarHBondContact O-N 3.42Å; L701-L704 PolarHBondContact O-N 2.84Å; L701-L705 WeakPolarHBondContact O-CB 3.49Å; L701-L705 PolarHBondContact O-N 3.25Å
702S80.6Confident80.8Confident65 Ų6593 Ų9346%0.45552%0.519SS..Hα-helixtrans-68-38.4173.677.60000111.9L698 F699 L705 F706L698-S702 WeakPolarHBondContact O-CB 3.4Å; L698-S702 PolarHBondContact O-N 2.83Å; L698-S702 PolarHBondContact O-OG 2.88Å; F699-S702 PolarHBondContact O-N 2.88Å; F699-S702 PolarHBondContact O-OG 2.69Å; S702-L705 PolarHBondContact O-N 2.86Å; S702-F706 VanDerWaalsContact O-CB 3.32Å; S702-F706 WeakPolarHBondContact O-CB 3.37Å; S702-F706 PolarHBondContact O-N 3.22Å
703V83Confident79.7Confident66 Ų6697.4 Ų97.440%0.453%0.528SS..Hα-helixtrans-65.1-45.6172.31720000111.2F699 L705 F706 V707F699-V703 HydrophobicContact CD1-CG2 4.44Å; F699-V703 HydrophobicContact CE1-CG2 4.08Å; F699-V703 HydrophobicContact CE2-CG2 4.43Å; F699-V703 HydrophobicContact CZ-CG2 4.08Å; F699-V703 WeakPolarHBondContact O-CG2 3.41Å; F699-V703 PolarHBondContact O-N 2.89Å; V703-L705 VanDerWaalsContact C-N 3.34Å; V703-L705 PolarHBondContact O-N 3Å; V703-F706 PolarHBondContact O-N 3.28Å; V703-V707 WeakPolarHBondContact O-CB 3.28Å; V703-V707 VanDerWaalsContact O-CG2 3.31Å; V703-V707 WeakPolarHBondContact O-CG2 3.49Å; V703-V707 PolarHBondContact O-N 3.08Å
704L85.7Confident78.5Confident104 Ų104105 Ų10555%0.54554%0.544SS..Hα-helixtrans-62.9-39175.4-76.7175.6000112.1L700 L701 V707 A708L700-L704 HydrophobicContact CD2-CD1 3.65Å; L700-L704 HydrophobicContact CD2-CG 4.21Å; L700-L704 WeakPolarHBondContact O-CB 3.26Å; L700-L704 VanDerWaalsContact O-CG 3.28Å; L700-L704 WeakPolarHBondContact O-CG 3.47Å; L700-L704 PolarHBondContact O-N 2.83Å; L701-L704 PolarHBondContact O-N 2.84Å; L704-V707 PolarHBondContact O-N 3.47Å; L704-A708 VanDerWaalsContact O-CB 3.25Å; L704-A708 WeakPolarHBondContact O-CB 3.31Å; L704-A708 PolarHBondContact O-N 2.94Å
705L84Confident77.2Confident105 Ų105107.1 Ų107.155%0.5556%0.558SS.*Hα-helixtrans-69.5-39177.4-162.9152.7000110.9L701 S702 V703 A708 V709L701-L705 WeakPolarHBondContact O-CB 3.49Å; L701-L705 PolarHBondContact O-N 3.25Å; S702-L705 PolarHBondContact O-N 2.86Å; V703-L705 VanDerWaalsContact C-N 3.34Å; V703-L705 PolarHBondContact O-N 3Å; L705-A708 PolarHBondContact O-N 2.95Å; L705-V709 HydrophobicContact CD2-CG2 4Å; L705-V709 WeakPolarHBondContact O-CB 3.32Å; L705-V709 VanDerWaalsContact O-CG2 3.26Å; L705-V709 WeakPolarHBondContact O-CG2 3.26Å; L705-V709 PolarHBondContact O-N 2.83Å
706F79.9Confident75.4Confident125 Ų125113.6 Ų113.655%0.54857%0.572SS.*Hα-helixtrans-62.4-42.9171.5-177.7-98.3000112.3S702 V703 R710S702-F706 VanDerWaalsContact O-CB 3.32Å; S702-F706 WeakPolarHBondContact O-CB 3.37Å; S702-F706 PolarHBondContact O-N 3.22Å; V703-F706 PolarHBondContact O-N 3.28Å; F706-R710 PolarHBondContact O-N 3.39Å
707V80.9Confident73.5Confident67 Ų67114.5 Ų114.541%0.40658%0.584SS.*Hα-helixtrans-65.9-43.7174.9169.80000111V703 L704 R710 L711V703-V707 WeakPolarHBondContact O-CB 3.28Å; V703-V707 VanDerWaalsContact O-CG2 3.31Å; V703-V707 WeakPolarHBondContact O-CG2 3.49Å; V703-V707 PolarHBondContact O-N 3.08Å; L704-V707 PolarHBondContact O-N 3.47Å; V707-R710 PolarHBondContact O-N 2.79Å; V707-L711 HydrophobicContact CG1-CD1 3.77Å; V707-L711 HydrophobicContact CG1-CG 4.33Å; V707-L711 WeakPolarHBondContact O-CB 3.25Å; V707-L711 VanDerWaalsContact O-CG 3.31Å; V707-L711 WeakPolarHBondContact O-CG 3.28Å; V707-L711 PolarHBondContact O-N 2.87Å
708A78.6Confident71.5Confident47 Ų47115.8 Ų115.839%0.38860%0.599SS.*Hα-helixtrans-62.9-43.317600000111.8L704 L705 R710 L711 C712L704-A708 VanDerWaalsContact O-CB 3.25Å; L704-A708 WeakPolarHBondContact O-CB 3.31Å; L704-A708 PolarHBondContact O-N 2.94Å; L705-A708 PolarHBondContact O-N 2.95Å; A708-R710 VanDerWaalsContact C-N 3.34Å; A708-R710 PolarHBondContact O-N 3.39Å; A708-L711 PolarHBondContact O-N 3.45Å; A708-C712 VanDerWaalsContact O-CB 3.29Å; A708-C712 WeakPolarHBondContact O-CB 3.37Å; A708-C712 PolarHBondContact O-N 2.84Å; A708-C712 PolarHBondContact O-SG 3.47Å; A708-C712 VanDerWaalsContact O-SG 3.36Å
709V77.4Confident69.3Low73 Ų73115.5 Ų115.544%0.44261%0.607SS.*Hα-helixtrans-62.5-40.1173.8167.90000111.1L705 R713L705-V709 HydrophobicContact CD2-CG2 4Å; L705-V709 WeakPolarHBondContact O-CB 3.32Å; L705-V709 VanDerWaalsContact O-CG2 3.26Å; L705-V709 WeakPolarHBondContact O-CG2 3.26Å; L705-V709 PolarHBondContact O-N 2.83Å; V709-R713 VanDerWaalsContact O-CB 3.32Å; V709-R713 WeakPolarHBondContact O-CB 3.19Å; V709-R713 WeakPolarHBondContact O-CG 3.49Å; V709-R713 PolarHBondContact O-N 3.12Å
710R71.1Confident67Low176 Ų176115.5 Ų115.566%0.66462%0.619SS**Hα-helixtrans-65.2-40173.1-92.9-166.5167.5-159.4-1.9112.9F706 V707 A708 R714F706-R710 PolarHBondContact O-N 3.39Å; V707-R710 PolarHBondContact O-N 2.79Å; A708-R710 VanDerWaalsContact C-N 3.34Å; A708-R710 PolarHBondContact O-N 3.39Å; R710-R714 WeakPolarHBondContact O-CB 3.29Å; R710-R714 PolarHBondContact O-N 3.15Å; R710-R714 VanDerWaalsContact O-N 3.15Å
711L71.5Confident64.3Low108 Ų108113.4 Ų113.457%0.56562%0.623SS**Hα-helixtrans-72.5-42.2179.4-70.6170.3000112V707 A708 R713 R714 S715V707-L711 HydrophobicContact CG1-CD1 3.77Å; V707-L711 HydrophobicContact CG1-CG 4.33Å; V707-L711 WeakPolarHBondContact O-CB 3.25Å; V707-L711 VanDerWaalsContact O-CG 3.31Å; V707-L711 WeakPolarHBondContact O-CG 3.28Å; V707-L711 PolarHBondContact O-N 2.87Å; A708-L711 PolarHBondContact O-N 3.45Å; L711-R713 VanDerWaalsContact C-N 3.34Å; L711-R713 PolarHBondContact O-N 3Å; L711-R714 WeakPolarHBondContact O-CA 3.49Å; L711-R714 PolarHBondContact O-N 3.4Å; L711-S715 PolarHBondContact O-N 3.48Å; L711-S715 VanDerWaalsContact O-N 3.12Å; L711-S715 PolarHBondContact O-OG 2.81Å
712C67.8Low61.9Low82 Ų82120.2 Ų120.255%0.55464%0.641SS**Hα-helixtrans-65.9-32.2173.3-71.10000112.8A708 R714 S715A708-C712 VanDerWaalsContact O-CB 3.29Å; A708-C712 WeakPolarHBondContact O-CB 3.37Å; A708-C712 PolarHBondContact O-N 2.84Å; A708-C712 PolarHBondContact O-SG 3.47Å; A708-C712 VanDerWaalsContact O-SG 3.36Å; C712-R714 VanDerWaalsContact C-N 3.28Å; C712-S715 PolarHBondContact O-OG 3.36Å
713R60.3Low59.4Low202 Ų202122.2 Ų122.276%0.76265%0.654SS**Hα-helixtrans-69.5-23.9168.5-86.3-177.7133.4172.1-4.7113V709 L711V709-R713 VanDerWaalsContact O-CB 3.32Å; V709-R713 WeakPolarHBondContact O-CB 3.19Å; V709-R713 WeakPolarHBondContact O-CG 3.49Å; V709-R713 PolarHBondContact O-N 3.12Å; L711-R713 VanDerWaalsContact C-N 3.34Å; L711-R713 PolarHBondContact O-N 3Å
714R55Low57Low219 Ų219123.6 Ų123.683%0.82667%0.667SS**Hα-helixtrans-87.6-19.1-179.5-140.6173.4-172.9-179.51113.9R710 L711 C712R710-R714 WeakPolarHBondContact O-CB 3.29Å; R710-R714 PolarHBondContact O-N 3.15Å; R710-R714 VanDerWaalsContact O-N 3.15Å; L711-R714 WeakPolarHBondContact O-CA 3.49Å; L711-R714 PolarHBondContact O-N 3.4Å; C712-R714 VanDerWaalsContact C-N 3.28Å
715S51.4Low54.4Low97 Ų97124.4 Ų124.468%0.67868%0.676SS**Hα-helixtrans-95.8-9.2178.460.30000115.2L711 C712L711-S715 PolarHBondContact O-N 3.48Å; L711-S715 VanDerWaalsContact O-N 3.12Å; L711-S715 PolarHBondContact O-OG 2.81Å; C712-S715 PolarHBondContact O-OG 3.36Å
716R48.8Very low52.5Low233 Ų233124.6 Ų124.688%0.87968%0.684SS**SBendtrans-101.57.8-177.4-106.3-178.4175.8-174.5-1.2115.9
717A44.6Very low50.3Low89 Ų89127.7 Ų127.774%0.73670%0.7SS**  trans-105.453-176.300000113.2
718A40.3Very low47.9Very low99 Ų99128 Ų12882%0.81872%0.716SS**  trans-153.855175.400000113.4
719S37.6Very low46.4Very low113 Ų113132 Ų13279%0.7974%0.738SS**SBendtrans-163.8126.1157-167.30000112.5
720V36.6Very low44Very low145 Ų145137.9 Ų137.988%0.87976%0.758SS**  trans-17.1144158.4-1690000116.7
721G29.8Very low42.5Very low64 Ų64135.8 Ų135.866%0.6677%0.767SS**  cis154.7147.8-5.400000113.9
722R34.4Very low40.5Very low245 Ų245133.9 Ų133.993%0.92577%0.774SS**  trans63.4137.5173.3-77.9-176.2163.9163.6-4.3117.3
723C29.6Very low38.7Very low107 Ų107138.9 Ų138.972%0.72379%0.789SS**  cis-160174.78.2-1020000109.2
724S32.1Very low37.3Very low95 Ų95136.8 Ų136.866%0.66479%0.792SS**  cis-171.8126.6-18.948.60000112.4
725V31.3Very low36.2Very low122 Ų122132.5 Ų132.574%0.73979%0.79SS**  34.2138.1118.3-174.30000118.9E727V725-E727 HydrophobicContact CG1-CG 4.37Å
726P44Very low35.1Very low109 Ų109134.3 Ų134.371%0.70879%0.792SS**  cis-129.2147.542.313.413.6000118
727E33.6Very low34.2Very low190 Ų190129.7 Ų129.789%0.88879%0.789SS**  68.8134.888.5-61-176.2134.500115.5V725V725-E727 HydrophobicContact CG1-CG 4.37Å
728G31Very low33.4Very low73 Ų73130.4 Ų130.475%0.75379%0.789SS**  cis-174.6-159.70.100000108.6
729P45.4Very low33Very low130 Ų130129.5 Ų129.584%0.84479%0.789SS**  cis-129.8-169.8-8.842.7-24.5000115
730F28.9Very low32.7Very low197 Ų197131.3 Ų131.386%0.86480%0.796SS**  trans-87.4174.7-175-75.5-98000115.4
731P38.5Very low32.4Very low132 Ų132127.5 Ų127.586%0.85779%0.785SS**  -135.6163.9100.839.9-31.8000114.8
732G28.9Very low32.4Very low69 Ų69131.8 Ų131.871%0.71180%0.799SS**  trans-177147.4164.100000112.9
733H31.4Very low32.3Very low187 Ų187128.4 Ų128.487%0.86680%0.798SS**  trans-166.4141.8130.7-141.1-72.2000109.6
734L30.3Very low32.2Very low158 Ų158129 Ų12983%0.82780%0.804SS**  trans-122.2146.7169.3-139147.8000107.2
735V31.9Very low32Very low128 Ų128133.4 Ų133.478%0.77681%0.814SS**  trans-97.3142.6-172.41760000111.1
736D27.8Very low31.7Very low136 Ų136132.9 Ų132.973%0.72782%0.816SS**  trans-77.2143.2179.4-179.326.9000112.1
737V29.3Very low31Very low136 Ų136137.7 Ų137.782%0.82482%0.821SS**  trans-142.8127.4165.8-178.50000109.7
738S29.2Very low30.5Very low104 Ų104138 Ų13873%0.72782%0.822SS**  trans-127.1160.8172.956.90000110.4
739G32.4Very low30.6Very low79 Ų79144.4 Ų144.481%0.81483%0.825SS**  trans102.2103158.800000117.3
740T31.2Very low29.7Very low152 Ų152147.3 Ų147.393%0.93383%0.828SS**  trans-66148165.648.70000113.8
741G30.1Very low30Very low64 Ų64143 Ų14366%0.6682%0.818SS**  trans169.189.7158.800000120.9
742T29.7Very low29.5Very low154 Ų154143.1 Ų143.195%0.94582%0.82SS**  trans71.1157.2146.858.90000122.2
743L31Very low29.8Very low175 Ų175146.9 Ų146.992%0.91682%0.823SS**  trans-85.1148.8-166.7-67.1143.4000114.7
744S28.1Very low29.6Very low120 Ų120146.8 Ų146.884%0.83983%0.825SS**  -166.1143.3126.750.80000112
745Q28Very low29.6Very low186 Ų186143.2 Ų143.287%0.86983%0.827SS**  trans-82.3145.7167-66.5175.5-30.300109.4
746S25.5Very low29.5Very low112 Ų112140.5 Ų140.578%0.78383%0.825SS**  175.5148109.155.40000113.4
747Y28.8Very low29.7Very low210 Ų210140.6 Ų140.682%0.82484%0.836SS**  trans-34.1143.2170.7-53-96000117.3
748Q23.3Very low29.8Very low195 Ų195137 Ų13791%0.91183%0.826SS**  -163.3156.9106.4-109.9173.8-3300113.1
749Y32.5Very low30.2Very low208 Ų208138.9 Ų138.982%0.81683%0.833SS**  trans-75.5151.4175.7-81.6-110.8000111
750E27Very low30.1Very low192 Ų192142.3 Ų142.390%0.89783%0.833SS**  trans-145.7131.6136.1-140167.7-151.800111.7
751V34.2Very low30.2Very low107 Ų107143.9 Ų143.965%0.64883%0.83SS**  trans-102.4131.9172.7169.80000107.1
752C29.6Very low30.2Very low133 Ų133149.9 Ų149.990%0.89984%0.838SS**  trans-139.6141.7156.7-101.80000110.6
753L34.1Very low30.3Very low149 Ų149152.1 Ų152.178%0.7884%0.835SS**  trans-113166.3-165.8-100164.4000112
754M28.3Very low30.4Very low184 Ų184153.4 Ų153.491%0.90683%0.833SS**  trans85.5137.9153.3-78-172.6-171.200121.9
755G29.9Very low30.5Very low84 Ų84155.9 Ų155.987%0.86684%0.836SS**  trans103.9111.315600000114.7
756G30Very low30.6Very low71 Ų71156.4 Ų156.473%0.73284%0.836SS**  cis145.7133.6-6.700000112.5
757S32.3Very low31Very low138 Ų138157 Ų15797%0.96584%0.837SS**  trans69.1133.9167.5-163.50000119.4
758G31.3Very low31.2Very low60 Ų60154.8 Ų154.862%0.61984%0.838SS**  trans149.48715400000117.9
759T36.1Very low31.9Very low143 Ų143152.8 Ų152.888%0.87783%0.832SS**  trans50.7107.4149.756.50000120.4
760N31.1Very low32.2Very low152 Ų152148.4 Ų148.481%0.81383%0.829SS**  trans-96122.1155.3-92-16.6000109.8
761E32.7Very low32.4Very low185 Ų185146.4 Ų146.486%0.86482%0.824SS**  trans-125.3122.7159.6-77.2-167.7163.500109.8
762F31.1Very low32.4Very low189 Ų189150.7 Ų150.783%0.82984%0.835SS**  trans-79.5125.8178.6-79.9-100.3000110.7
763K31.4Very low32.9Very low202 Ų202149.7 Ų149.788%0.87883%0.826SS**  trans-100.6115.9167.1-80.5-176.3174.8176.70111
764F33.6Very low33.7Very low202 Ų202148.5 Ų148.589%0.88683%0.828SS**  trans-70.1141.8164.4-89.3-95.5000110.9
765L28.8Very low33.8Very low172 Ų172149.5 Ų149.590%0.90183%0.83SS**  trans-82.2137168.4-70161.3000109.7
766K31.9Very low33.8Very low196 Ų196148.5 Ų148.585%0.85282%0.82SS**  trans-115.5146.5160.2-100.5-171.3174.6-176.50109.1
767P33.4Very low33.8Very low126 Ų126151.2 Ų151.282%0.81882%0.822SS**PPolyproline II helixtrans-76.2154.9-174.631.5-35.4000112.7
768I32.9Very low33.7Very low162 Ų162152.7 Ų152.783%0.83181%0.814SS**PPolyproline II helixtrans-97.2128-179.8-64.3169.7000109.3
769I38.2Very low33.6Very low153 Ų153160.5 Ų160.579%0.78582%0.824SS**PPolyproline II helixtrans-95.8133.7164.7-61.4173.6000107.3
770P38.6Very low33.3Very low116 Ų116162.4 Ų162.475%0.75382%0.823SS**PPolyproline II helixtrans-75140.8-179.630.6-34.3000111.7
771N31.9Very low33.2Very low150 Ų150162.8 Ų162.880%0.80282%0.822SS**  trans-130.9135.4-179.7-146.710.4000108.9
772F32.9Very low33.1Very low198 Ų198162 Ų16287%0.86882%0.819SS**  trans-148.6156.2172.7-92.4-54.3000109.4
773P41.3Very low33Very low111 Ų111162 Ų16272%0.72182%0.821SS**  -118.8173.2-115.340.4-30.3000114.8
774P49.2Very low33.2Very low125 Ų125158.7 Ų158.781%0.81282%0.818SS**  trans-97.9139.9-174.636.4-33.2000115.2
775Q30.6Very low33.9Very low205 Ų205155 Ų15596%0.95881%0.814SS**  trans-168.5141.7156.8-102.9175.6-7.600105.6
776G29.7Very low33.9Very low63 Ų63151.7 Ų151.765%0.64981%0.812SS**  cis152.1152.7-1.300000110.3
777T31.2Very low34.1Very low128 Ų128150.4 Ų150.479%0.78581%0.814SS**  trans79.8114163.58.80000121.3
778E30.2Very low34.8Very low168 Ų168149 Ų14979%0.78580%0.804SS**  trans56.1116.4130.7-70.1175.9176.900124.5
779R29.6Very low34.7Very low224 Ų224148.5 Ų148.585%0.84580%0.803SS**  168.8126.9105.4-89.2-178.9177.8171.5-1109.6
780E29.7Very low34.5Very low183 Ų183146.5 Ų146.586%0.85580%0.803SS**  69.6100.468.4-100-170.2172.700116.6
781M28.8Very low34.5Very low160 Ų160150.2 Ų150.279%0.78881%0.808SS**  trans168.4119.5133.7-90.9-176.973.800107.1
782E30.1Very low35.4Very low169 Ų169148.8 Ų148.879%0.7981%0.806SS**  56.5128.492.2-70.4-173.2140.900113
783E29.4Very low35.7Very low189 Ų189148.7 Ų148.788%0.88381%0.806SS**  cis-137.9167.342.1-69.1179.3136.900117.1
784T35Very low35.6Very low132 Ų132152.7 Ų152.781%0.8184%0.836SS**  trans-58.4171.6-171.132.70000122.3
785P48.6Very low34.9Very low124 Ų124154.1 Ų154.181%0.80584%0.838SS**  trans-103.2169.5-176.641.2-35.9000115.5
786A29.2Very low35.1Very low103 Ų103151.4 Ų151.485%0.85183%0.831SS**  trans-155.9136.1160.800000114.8
787L35.1Very low35.4Very low170 Ų170156.3 Ų156.389%0.8984%0.841SS**  trans-107.6172.6155.3-90.1158.6000107.1
788P47.8Very low35.6Very low96 Ų96157.9 Ų157.962%0.62385%0.845SS**  cis-136.3-166.9140.4-20.8000115.3
789N32.5Very low36Very low152 Ų152157.3 Ų157.381%0.81385%0.848SS**  trans70.3131.4162.5-60.6-13.3000117.5
790S32.3Very low36.4Very low111 Ų111152.9 Ų152.978%0.77685%0.849SS**  179.4159.952.744.60000112.2
791F40.3Very low36.9Very low194 Ų194150.7 Ų150.785%0.85185%0.848SS**  trans-56.8150.6161.3-78.2-94.7000111.8
792P50.5Low37.5Very low119 Ų119150 Ų15077%0.77385%0.853SS**  -149.2173.188.439.5-21.5000117.2
793F38.2Very low38.1Very low197 Ų197148.4 Ų148.486%0.86486%0.858SS**  trans-47.5140.7174-69.9-101.7000116.5
794S38.8Very low38.9Very low194 Ų194144.7 Ų144.7100%1.35786%0.856SS**  -156.90116.2-73.30000110.1

Retrieved 794 of 794 residues in 142.4 ms (Link to these results)