A0A077Z7Z3_TRITR Loading...

WD40 and TFIID 90kDa domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7Z3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 627 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.3Very low33.8Very low243 Ų243178.9 Ų178.9100%1.19786%0.861SS**  0107.10-82.2175.3176.200108
2N34.1Very low34.5Very low164 Ų164174.5 Ų174.588%0.87786%0.858SS**  trans15.2104.9167.1-59.2-4.3000120.2
3Q37Very low36.1Very low194 Ų194170 Ų17091%0.90784%0.838SS**  trans-131.5120.5140.3-83.2-174.9-9.100108.8
4S33.3Very low38.7Very low111 Ų111162.1 Ų162.178%0.77681%0.808SS**  trans-69.8123.9-176.538.80000111.6E6S4-E6 PolarHBondContact O-N 3Å
5Q32.1Very low41.4Very low181 Ų181157 Ų15785%0.84678%0.784SS**  trans-69.6108.1163.2-77.1177-25.800108.9R7Q5-R7 PolarHBondContact O-N 3.44Å; Q5-R7 VanDerWaalsContact O-N 3.09Å
6E32.7Very low43.5Very low163 Ų163154.4 Ų154.476%0.76277%0.773SS**  trans-68.6101.1165.6-74.5-174.1162.400109.1S4 F8S4-E6 PolarHBondContact O-N 3Å; E6-F8 PolarHBondContact O-N 3.34Å
7R27.7Very low45.6Very low227 Ų227147.9 Ų147.986%0.85774%0.744SS**  trans-70.9107.4163-77.4-178.7175.3-177.6-1.6107.9Q5 E9Q5-R7 PolarHBondContact O-N 3.44Å; Q5-R7 VanDerWaalsContact O-N 3.09Å; R7-E9 PolarHBondContact O-N 3.08Å
8F32.4Very low47.5Very low184 Ų184143.2 Ų143.281%0.80772%0.72SS**  trans-65.5100.8164-88.3-92.5000109.1E6 K10E6-F8 PolarHBondContact O-N 3.34Å; F8-K10 PolarHBondContact O-N 3.4Å; F8-K10 VanDerWaalsContact O-N 3.14Å
9E28.5Very low49.2Very low180 Ų180136.4 Ų136.484%0.84169%0.686SS**  trans-64.2107.4165.5-76.7-176.7158.900109R7 T11R7-E9 PolarHBondContact O-N 3.08Å; E9-T11 PolarHBondContact O-N 2.88Å
10K35.8Very low50.6Low205 Ų205136.1 Ų136.189%0.89168%0.682SS**  trans-70.694.2172.2-71.8-179.4177.6179.50109.1F8F8-K10 PolarHBondContact O-N 3.4Å; F8-K10 VanDerWaalsContact O-N 3.14Å
11T39.8Very low52Low116 Ų116133.8 Ų133.871%0.71267%0.671SS**  trans-71.7134.9159.836.70000108.8E9 L13E9-T11 PolarHBondContact O-N 2.88Å; T11-L13 PolarHBondContact O-N 3.3Å; T11-L13 VanDerWaalsContact O-N 3.1Å
12P42.2Very low54Low126 Ų126123 Ų12382%0.81862%0.618SS**  trans-68.7111176.828-30.9000108.2S14P12-S14 PolarHBondContact O-N 2.91Å
13L55.2Low56Low116 Ų116122.3 Ų122.361%0.60760%0.603SS**  trans-59.2120.3168.8-81.3144.9000107.9T11 T17 I18T11-L13 PolarHBondContact O-N 3.3Å; T11-L13 VanDerWaalsContact O-N 3.1Å; L13-T17 WeakPolarHBondContact CD2-OG1 3.14Å; L13-I18 HydrophobicContact CB-CG1 4.3Å
14S73.3Confident58Low60 Ų60122 Ų12242%0.4260%0.599SS.*  trans-58.4147.2174.5630000109.9P12 D16 T17 I18P12-S14 PolarHBondContact O-N 2.91Å; S14-D16 PolarHBondContact O-N 2.89Å; S14-D16 VanDerWaalsContact O-N 3.08Å; S14-T17 PolarHBondContact N-OG1 2.96Å; S14-T17 VanDerWaalsContact N-OG1 3.16Å; S14-T17 PolarHBondContact O-N 3.04Å; S14-T17 PolarHBondContact O-OG1 3.36Å; S14-T17 PolarHBondContact OG-N 3.48Å; S14-T17 PolarHBondContact OG-OG1 2.61Å; S14-I18 PolarHBondContact O-N 3.22Å
15I79.2Confident60.1Low85 Ų85124 Ų12444%0.43659%0.593SS.*Hα-helixtrans-49-38.9174.6-74.6158.5000110.7T17 I18 M19 L38I15-T17 VanDerWaalsContact C-N 3.34Å; I15-T17 PolarHBondContact O-N 2.73Å; I15-I18 WeakPolarHBondContact O-CB 3.12Å; I15-I18 PolarHBondContact O-N 3.4Å; I15-I18 VanDerWaalsContact O-N 3.14Å; I15-M19 HydrophobicContact CG2-CG 4.05Å; I15-M19 WeakPolarHBondContact O-CG 3.25Å; I15-M19 PolarHBondContact O-N 2.95Å; I15-L38 HydrophobicContact CD1-CD1 4.05Å; I15-L38 HydrophobicContact CD1-CD2 3.47Å; I15-L38 VanDerWaalsContact CD1-CD2 3.47Å; I15-L38 HydrophobicContact CD1-CG 4.43Å; I15-L38 HydrophobicContact CG1-CD1 4.28Å; I15-L38 HydrophobicContact CG1-CD2 4.27Å; I15-L38 HydrophobicContact CG2-CD1 3.65Å
16D74.6Confident61.7Low115 Ų115121.3 Ų121.362%0.61559%0.585SS**Hα-helixtrans-60-38177-62.9-34.9000113.9S14 M19 Q20S14-D16 PolarHBondContact O-N 2.89Å; S14-D16 VanDerWaalsContact O-N 3.08Å; D16-M19 PolarHBondContact O-N 2.96Å; D16-Q20 WeakPolarHBondContact O-CB 3.36Å; D16-Q20 WeakPolarHBondContact O-CG 3.34Å; D16-Q20 PolarHBondContact O-N 2.68Å
17T79.6Confident63.7Low45 Ų45116.4 Ų116.428%0.27656%0.564SS.*Hα-helixtrans-70.2-36.9175.842.60000111.9L13 S14 I15 Q20 I21L13-T17 WeakPolarHBondContact CD2-OG1 3.14Å; S14-T17 PolarHBondContact N-OG1 2.96Å; S14-T17 VanDerWaalsContact N-OG1 3.16Å; S14-T17 PolarHBondContact O-N 3.04Å; S14-T17 PolarHBondContact O-OG1 3.36Å; S14-T17 PolarHBondContact OG-N 3.48Å; S14-T17 PolarHBondContact OG-OG1 2.61Å; I15-T17 VanDerWaalsContact C-N 3.34Å; I15-T17 PolarHBondContact O-N 2.73Å; T17-Q20 PolarHBondContact O-N 2.72Å; T17-I21 WeakPolarHBondContact O-CD1 3.36Å; T17-I21 VanDerWaalsContact O-CG1 3.25Å; T17-I21 WeakPolarHBondContact O-CG1 2.97Å; T17-I21 PolarHBondContact O-N 2.55Å
18I79Confident65.9Low62 Ų62112 Ų11232%0.31855%0.551SS.*Hα-helixtrans-63.6-45.6173.4-62.4172.8000109.9L13 S14 I15 Q20 I21 L22 L34L13-I18 HydrophobicContact CB-CG1 4.3Å; S14-I18 PolarHBondContact O-N 3.22Å; I15-I18 WeakPolarHBondContact O-CB 3.12Å; I15-I18 PolarHBondContact O-N 3.4Å; I15-I18 VanDerWaalsContact O-N 3.14Å; I18-Q20 PolarHBondContact O-N 3.36Å; I18-I21 PolarHBondContact O-N 2.94Å; I18-I21 VanDerWaalsContact O-N 3.16Å; I18-L22 HydrophobicContact CG2-CD1 4.05Å; I18-L22 HydrophobicContact CG2-CG 4.36Å; I18-L22 VanDerWaalsContact O-CG 3.31Å; I18-L22 WeakPolarHBondContact O-CG 3.49Å; I18-L22 PolarHBondContact O-N 2.97Å; I18-L34 HydrophobicContact CG2-CD1 4.03Å
19M80.6Confident67.4Low15 Ų15107.4 Ų107.47%0.07454%0.535CS..Hα-helixtrans-61.8-41.8178-66.3-67.2-75.800112.1I15 D16 I21 L22 R23 E31 L35I15-M19 HydrophobicContact CG2-CG 4.05Å; I15-M19 WeakPolarHBondContact O-CG 3.25Å; I15-M19 PolarHBondContact O-N 2.95Å; D16-M19 PolarHBondContact O-N 2.96Å; M19-I21 VanDerWaalsContact C-N 3.34Å; M19-I21 PolarHBondContact O-N 3.43Å; M19-L22 PolarHBondContact O-N 2.78Å; M19-L22 HydrophobicContact SD-CD1 4.46Å; M19-R23 WeakPolarHBondContact O-CG 2.99Å; M19-R23 PolarHBondContact O-N 3.09Å; M19-E31 HydrophobicContact CE-CG 3.24Å; M19-E31 VanDerWaalsContact CE-OE1 3.31Å; M19-E31 WeakPolarHBondContact CE-OE1 3.46Å; M19-E31 HydrophobicContact SD-CG 3.74Å; M19-L35 HydrophobicContact CE-CD1 3.7Å; M19-L35 HydrophobicContact CE-CD2 3.67Å; M19-L35 HydrophobicContact CE-CG 3.62Å; M19-L35 HydrophobicContact SD-CD2 4.47Å; M19-L35 HydrophobicContact SD-CG 4.37Å
20Q76.9Confident69.5Low130 Ų130102 Ų10261%0.60751%0.514SS*.Hα-helixtrans-62.5-39174-77.8-179.5-2.400112.6D16 T17 I18 K24D16-Q20 WeakPolarHBondContact O-CB 3.36Å; D16-Q20 WeakPolarHBondContact O-CG 3.34Å; D16-Q20 PolarHBondContact O-N 2.68Å; T17-Q20 PolarHBondContact O-N 2.72Å; I18-Q20 PolarHBondContact O-N 3.36Å; Q20-K24 VanDerWaalsContact O-CB 3.29Å; Q20-K24 WeakPolarHBondContact O-CB 3.39Å; Q20-K24 PolarHBondContact O-N 2.83Å
21I79.6Confident71.5Confident87 Ų8793 Ų9345%0.44648%0.475SS..Hα-helixtrans-66.7-43.6176.1-68.1164000110.6T17 I18 M19 R23 K24 K25T17-I21 WeakPolarHBondContact O-CD1 3.36Å; T17-I21 VanDerWaalsContact O-CG1 3.25Å; T17-I21 WeakPolarHBondContact O-CG1 2.97Å; T17-I21 PolarHBondContact O-N 2.55Å; I18-I21 PolarHBondContact O-N 2.94Å; I18-I21 VanDerWaalsContact O-N 3.16Å; M19-I21 VanDerWaalsContact C-N 3.34Å; M19-I21 PolarHBondContact O-N 3.43Å; I21-R23 PolarHBondContact O-N 3.36Å; I21-K24 PolarHBondContact O-N 3.13Å; I21-K25 HydrophobicContact CG2-CG 4.48Å; I21-K25 WeakPolarHBondContact O-CB 3.08Å; I21-K25 WeakPolarHBondContact O-CG 3.49Å; I21-K25 PolarHBondContact O-N 3.37Å
22L79.7Confident73Confident17 Ų1791.5 Ų91.59%0.08946%0.459CS..Hα-helixtrans-61.5-44178.7-69.2174.6000111.6I18 M19 K25 N26 L27 T30 E31 L34I18-L22 HydrophobicContact CG2-CD1 4.05Å; I18-L22 HydrophobicContact CG2-CG 4.36Å; I18-L22 VanDerWaalsContact O-CG 3.31Å; I18-L22 WeakPolarHBondContact O-CG 3.49Å; I18-L22 PolarHBondContact O-N 2.97Å; M19-L22 PolarHBondContact O-N 2.78Å; M19-L22 HydrophobicContact SD-CD1 4.46Å; L22-K25 CarbonylContact O-C 3.59Å; L22-K25 PolarHBondContact O-N 3.37Å; L22-N26 PolarHBondContact O-N 3.16Å; L22-N26 VanDerWaalsContact O-N 3.13Å; L22-L27 HydrophobicContact CD2-CB 4.02Å; L22-L27 HydrophobicContact CD2-CD1 4Å; L22-L27 PolarHBondContact O-N 2.95Å; L22-T30 HydrophobicContact CD2-CG2 3.94Å; L22-E31 HydrophobicContact CB-CB 4.4Å; L22-E31 HydrophobicContact CD1-CB 4.35Å; L22-L34 HydrophobicContact CD1-CD1 3.79Å
23R76.9Confident74.6Confident150 Ų15088.1 Ų88.157%0.56644%0.441SS*.Hα-helixtrans-61.7-45.2173.5-72.2175-176.11734.2112.1M19 I21 K25 N26 E31M19-R23 WeakPolarHBondContact O-CG 2.99Å; M19-R23 PolarHBondContact O-N 3.09Å; I21-R23 PolarHBondContact O-N 3.36Å; R23-K25 PolarHBondContact O-N 2.96Å; R23-N26 PolarHBondContact O-N 3.05Å; R23-N26 VanDerWaalsContact O-N 3.13Å; R23-N26 PolarHBondContact O-OD1 3.45Å; R23-E31 VanDerWaalsContact CG-OE2 3.32Å; R23-E31 WeakPolarHBondContact CG-OE2 3.43Å; R23-E31 IonicContact CZ-OE1 2.78Å; R23-E31 VanDerWaalsContact CZ-OE1 3.26Å; R23-E31 IonicContact NE-OE1 2.88Å; R23-E31 PolarHBondContact NE-OE1 2.68Å; R23-E31 IonicContact NE-OE2 3.37Å; R23-E31 IonicContact NH2-OE1 3.16Å; R23-E31 PolarHBondContact NH2-OE1 3.48Å
24K78.2Confident75.7Confident188 Ų18885.5 Ų85.582%0.81743%0.427SS*.Hα-helixtrans-63.8-26.2177.8-168.9174.5-178.5177.70112.7Q20 I21Q20-K24 VanDerWaalsContact O-CB 3.29Å; Q20-K24 WeakPolarHBondContact O-CB 3.39Å; Q20-K24 PolarHBondContact O-N 2.83Å; I21-K24 PolarHBondContact O-N 3.13Å
25K77.8Confident75.9Confident151 Ų15186.6 Ų86.666%0.65743%0.428SS*.THydrogen-bonded Turntrans-96.96.6177.5-65.8-134-179.7-178.50114I21 L22 R23 L27I21-K25 HydrophobicContact CG2-CG 4.48Å; I21-K25 WeakPolarHBondContact O-CB 3.08Å; I21-K25 WeakPolarHBondContact O-CG 3.49Å; I21-K25 PolarHBondContact O-N 3.37Å; L22-K25 CarbonylContact O-C 3.59Å; L22-K25 PolarHBondContact O-N 3.37Å; R23-K25 PolarHBondContact O-N 2.96Å; K25-L27 HydrophobicContact CB-CD1 3.95Å; K25-L27 HydrophobicContact CB-CG 4.08Å; K25-L27 PolarHBondContact O-N 3.44Å
26N66.1Low75.7Confident125 Ų12584.8 Ų84.867%0.66843%0.426SS*.THydrogen-bonded Turntrans53.933.5-177.1-65.3-27.4000113.8L22 R23 F28L22-N26 PolarHBondContact O-N 3.16Å; L22-N26 VanDerWaalsContact O-N 3.13Å; R23-N26 PolarHBondContact O-N 3.05Å; R23-N26 VanDerWaalsContact O-N 3.13Å; R23-N26 PolarHBondContact O-OD1 3.45Å; N26-F28 PolarHBondContact O-N 2.78Å
27L75.1Confident75.6Confident61 Ų6185.9 Ų85.932%0.31943%0.427SS..  trans-94.458.4-179.8-69.1171000111.4L22 K25 L29 T30 E31L22-L27 HydrophobicContact CD2-CB 4.02Å; L22-L27 HydrophobicContact CD2-CD1 4Å; L22-L27 PolarHBondContact O-N 2.95Å; K25-L27 HydrophobicContact CB-CD1 3.95Å; K25-L27 HydrophobicContact CB-CG 4.08Å; K25-L27 PolarHBondContact O-N 3.44Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 2.93Å; L27-T30 WeakPolarHBondContact O-CB 3.44Å; L27-T30 PolarHBondContact O-N 3.48Å; L27-T30 VanDerWaalsContact O-N 3.09Å; L27-E31 PolarHBondContact O-N 3.17Å
28F73Confident75.1Confident135 Ų13586.3 Ų86.359%0.59243%0.427SS*.Hα-helixtrans-60.2-37.2-173.1-176.1-103.2000113.7N26 T30 E31 K32N26-F28 PolarHBondContact O-N 2.78Å; F28-T30 VanDerWaalsContact C-N 3.32Å; F28-T30 PolarHBondContact O-N 2.89Å; F28-E31 WeakPolarHBondContact O-CB 3.39Å; F28-E31 PolarHBondContact O-N 3.43Å; F28-K32 HydrophobicContact CE1-CD 4.43Å; F28-K32 PolarHBondContact O-N 2.95Å
29L63.9Low74.1Confident87 Ų8787.2 Ų87.246%0.45544%0.44SS..Hα-helixtrans-67.7-34.9177.3-65.9175.8000112.3L27 K32 A33 V56 V461L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 2.93Å; L29-K32 PolarHBondContact O-N 3.4Å; L29-A33 WeakPolarHBondContact O-CB 3.16Å; L29-A33 PolarHBondContact O-N 3.44Å; L29-V56 HydrophobicContact CD2-CG1 4.24Å; L29-V461 HydrophobicContact CD1-CG2 3.92Å
30T73.9Confident72.6Confident65 Ų6593.6 Ų93.640%0.39947%0.469SS..Hα-helixtrans-71.2-36.7176.1-410000110.6L22 L27 F28 L34L22-T30 HydrophobicContact CD2-CG2 3.94Å; L27-T30 WeakPolarHBondContact O-CB 3.44Å; L27-T30 PolarHBondContact O-N 3.48Å; L27-T30 VanDerWaalsContact O-N 3.09Å; F28-T30 VanDerWaalsContact C-N 3.32Å; F28-T30 PolarHBondContact O-N 2.89Å; T30-L34 WeakPolarHBondContact O-CB 3.49Å; T30-L34 PolarHBondContact O-N 2.79Å
31E76.7Confident71.2Confident16 Ų1691.8 Ų91.88%0.07547%0.471CS..Hα-helixtrans-59.3-50.1170.8-172.8-179.6175.900111.2M19 L22 R23 L27 F28 A33 L34 L35M19-E31 HydrophobicContact CE-CG 3.24Å; M19-E31 VanDerWaalsContact CE-OE1 3.31Å; M19-E31 WeakPolarHBondContact CE-OE1 3.46Å; M19-E31 HydrophobicContact SD-CG 3.74Å; L22-E31 HydrophobicContact CB-CB 4.4Å; L22-E31 HydrophobicContact CD1-CB 4.35Å; R23-E31 VanDerWaalsContact CG-OE2 3.32Å; R23-E31 WeakPolarHBondContact CG-OE2 3.43Å; R23-E31 IonicContact CZ-OE1 2.78Å; R23-E31 VanDerWaalsContact CZ-OE1 3.26Å; R23-E31 IonicContact NE-OE1 2.88Å; R23-E31 PolarHBondContact NE-OE1 2.68Å; R23-E31 IonicContact NE-OE2 3.37Å; R23-E31 IonicContact NH2-OE1 3.16Å; R23-E31 PolarHBondContact NH2-OE1 3.48Å; L27-E31 PolarHBondContact O-N 3.17Å; F28-E31 WeakPolarHBondContact O-CB 3.39Å; F28-E31 PolarHBondContact O-N 3.43Å; E31-A33 PolarHBondContact O-N 3.32Å; E31-L34 PolarHBondContact O-N 2.94Å; E31-L35 HydrophobicContact CG-CD1 4.35Å; E31-L35 WeakPolarHBondContact O-CG 3.47Å; E31-L35 PolarHBondContact O-N 2.83Å
32K72.4Confident69.4Low86 Ų8693.7 Ų93.737%0.37449%0.486SS..Hα-helixtrans-65.1-40-179.2-152.2180-178.1-171.80112.1F28 L29 L35 A36 D57F28-K32 HydrophobicContact CE1-CD 4.43Å; F28-K32 PolarHBondContact O-N 2.95Å; L29-K32 PolarHBondContact O-N 3.4Å; K32-L35 PolarHBondContact O-N 2.8Å; K32-A36 PolarHBondContact O-N 2.81Å; K32-D57 IonicContact NZ-OD2 3.46Å; K32-D57 PolarHBondContact NZ-OD2 3.43Å
33A75.4Confident67.2Low55 Ų5596 Ų9646%0.45551%0.514SS..Hα-helixtrans-65.4-42.3175.400000112.6L29 E31 A36 E37L29-A33 WeakPolarHBondContact O-CB 3.16Å; L29-A33 PolarHBondContact O-N 3.44Å; E31-A33 PolarHBondContact O-N 3.32Å; A33-A36 PolarHBondContact O-N 3.36Å; A33-E37 WeakPolarHBondContact O-CG 3.46Å; A33-E37 PolarHBondContact O-N 3.33Å; A33-E37 VanDerWaalsContact O-N 3.11Å
34L77.5Confident64.9Low60 Ų6095.5 Ų95.531%0.31453%0.532SS..Hα-helixtrans-64.8-39.9175.8-115.8154.8000111.8I18 L22 T30 E31 A36 E37 L38I18-L34 HydrophobicContact CG2-CD1 4.03Å; L22-L34 HydrophobicContact CD1-CD1 3.79Å; T30-L34 WeakPolarHBondContact O-CB 3.49Å; T30-L34 PolarHBondContact O-N 2.79Å; E31-L34 PolarHBondContact O-N 2.94Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-E37 PolarHBondContact O-N 3.39Å; L34-L38 HydrophobicContact CD2-CD1 4.34Å; L34-L38 WeakPolarHBondContact O-CB 3.41Å; L34-L38 WeakPolarHBondContact O-CD1 3.14Å; L34-L38 WeakPolarHBondContact O-CG 3.34Å; L34-L38 PolarHBondContact O-N 3.36Å
35L77.1Confident62.4Low83 Ų8389.8 Ų89.844%0.43553%0.526SS..Hα-helixtrans-63.6-37.8174.9-75.9173.1000112.5M19 E31 K32 L38 S39M19-L35 HydrophobicContact CE-CD1 3.7Å; M19-L35 HydrophobicContact CE-CD2 3.67Å; M19-L35 HydrophobicContact CE-CG 3.62Å; M19-L35 HydrophobicContact SD-CD2 4.47Å; M19-L35 HydrophobicContact SD-CG 4.37Å; E31-L35 HydrophobicContact CG-CD1 4.35Å; E31-L35 WeakPolarHBondContact O-CG 3.47Å; E31-L35 PolarHBondContact O-N 2.83Å; K32-L35 PolarHBondContact O-N 2.8Å; L35-L38 PolarHBondContact O-N 2.84Å; L35-S39 PolarHBondContact O-N 3.46Å
36A74.9Confident60.2Low47 Ų4788.6 Ų88.639%0.38854%0.537SS..Hα-helixtrans-63.4-48.8175.700000111.5K32 A33 L34 L38 S39 E40K32-A36 PolarHBondContact O-N 2.81Å; A33-A36 PolarHBondContact O-N 3.36Å; L34-A36 VanDerWaalsContact C-N 3.33Å; A36-L38 VanDerWaalsContact C-N 3.3Å; A36-L38 PolarHBondContact O-N 3.41Å; A36-S39 PolarHBondContact O-N 3.4Å; A36-S39 PolarHBondContact O-OG 3.13Å; A36-E40 PolarHBondContact O-N 3.49Å; A36-E40 VanDerWaalsContact O-N 3.12Å
37E72.5Confident58.2Low138 Ų13888 Ų8865%0.64554%0.542SS*.Hα-helixtrans-59.8-38.3175.8-71.2-82.8168.900112.5A33 L34 S39 E40A33-E37 WeakPolarHBondContact O-CG 3.46Å; A33-E37 PolarHBondContact O-N 3.33Å; A33-E37 VanDerWaalsContact O-N 3.11Å; L34-E37 PolarHBondContact O-N 3.39Å; E37-S39 VanDerWaalsContact C-N 3.34Å; E37-E40 PolarHBondContact O-N 2.94Å
38L70.4Confident55.9Low54 Ų5489.6 Ų89.628%0.28357%0.565SS.*Hα-helixtrans-67.9-34.1176-71.5168.8000112.2I15 L34 L35 A36 S41I15-L38 HydrophobicContact CD1-CD1 4.05Å; I15-L38 HydrophobicContact CD1-CD2 3.47Å; I15-L38 VanDerWaalsContact CD1-CD2 3.47Å; I15-L38 HydrophobicContact CD1-CG 4.43Å; I15-L38 HydrophobicContact CG1-CD1 4.28Å; I15-L38 HydrophobicContact CG1-CD2 4.27Å; I15-L38 HydrophobicContact CG2-CD1 3.65Å; L34-L38 HydrophobicContact CD2-CD1 4.34Å; L34-L38 WeakPolarHBondContact O-CB 3.41Å; L34-L38 WeakPolarHBondContact O-CD1 3.14Å; L34-L38 WeakPolarHBondContact O-CG 3.34Å; L34-L38 PolarHBondContact O-N 3.36Å; L35-L38 PolarHBondContact O-N 2.84Å; A36-L38 VanDerWaalsContact C-N 3.3Å; A36-L38 PolarHBondContact O-N 3.41Å; L38-S41 PolarHBondContact O-N 2.8Å; L38-S41 PolarHBondContact O-OG 3.25Å
39S58.6Low53.6Low82 Ų8289 Ų8957%0.57358%0.577SS**Hα-helixtrans-71.8-29.5177.372.70000113.4L35 A36 E37 S41L35-S39 PolarHBondContact O-N 3.46Å; A36-S39 PolarHBondContact O-N 3.4Å; A36-S39 PolarHBondContact O-OG 3.13Å; E37-S39 VanDerWaalsContact C-N 3.34Å; S39-S41 VanDerWaalsContact C-N 3.32Å; S39-S41 PolarHBondContact O-N 2.99Å
40E47.9Very low51.7Low149 Ų14994.6 Ų94.670%0.69660%0.598SS**Hα-helixtrans-73.7-22.2177.1-70.9-174.7178.300113.1A36 E37 V42A36-E40 PolarHBondContact O-N 3.49Å; A36-E40 VanDerWaalsContact O-N 3.12Å; E37-E40 PolarHBondContact O-N 2.94Å; E40-V42 VanDerWaalsContact C-N 3.25Å; E40-V42 PolarHBondContact O-N 3.02Å
41S48Very low49.4Very low92 Ų9297.3 Ų97.364%0.64361%0.614SS**THydrogen-bonded Turntrans-74.6-8.9-179.572.50000114.8L38 S39L38-S41 PolarHBondContact O-N 2.8Å; L38-S41 PolarHBondContact O-OG 3.25Å; S39-S41 VanDerWaalsContact C-N 3.32Å; S39-S41 PolarHBondContact O-N 2.99Å
42V41.6Very low47Very low127 Ų127107.4 Ų107.477%0.7765%0.652SS**SBendtrans-127.560.3-176-166.30000110.4E40E40-V42 VanDerWaalsContact C-N 3.25Å; E40-V42 PolarHBondContact O-N 3.02Å
43G34.4Very low44.8Very low65 Ų65109.2 Ų109.267%0.6767%0.665SS**  trans-163.3111.1-179.700000114
44C27.1Very low42.6Very low139 Ų139114.1 Ų114.194%0.93968%0.683SS**  trans-71.5130.4-176.5-164.40000112.9
45G26.7Very low40.4Very low68 Ų68117.3 Ų117.370%0.70170%0.701SS**  trans40103.9146.200000120.4
46S30.2Very low38.3Very low127 Ų127115.4 Ų115.489%0.88869%0.693SS**  -173154.5127.145.80000111.1
47S25.4Very low36.1Very low111 Ų111118.3 Ų118.378%0.77670%0.702SS**  trans-69.1150.1-161.1480000117.1
48A25.7Very low34.3Very low95 Ų95115.5 Ų115.579%0.78569%0.691SS**  trans7390.114600000118.7
49S24.9Very low32.4Very low122 Ų122116.8 Ų116.885%0.85370%0.704SS**  178.8106.9115.741.70000108.9
50F24.4Very low31.6Very low206 Ų206119.6 Ų119.690%0.90471%0.706SS**  trans-69134.3174.8-130.6-110.9000108.6
51V26Very low30.6Very low121 Ų121121 Ų12173%0.73371%0.712SS**  trans73.387163.7-1630000116.1
52R25.8Very low30.6Very low228 Ų228118.3 Ų118.386%0.8669%0.694SS**  trans-145.9129.6149.1-72.9-162.6-179.5161.31111.5
53D26.6Very low31.3Very low124 Ų124117 Ų11766%0.66369%0.686SS**  trans70.382.2153.2-48.8-26000117.6D55D53-D55 PolarHBondContact O-N 2.8Å
54L29.4Very low32.8Very low158 Ų158117 Ų11783%0.82767%0.668SS**  trans-67.972.6139.7-93.7127.2000107.7V56L54-V56 PolarHBondContact O-N 2.59Å
55D29.9Very low35.1Very low127 Ų127115 Ų11568%0.67964%0.641SS**  trans-64.294.1153.6-87.2-25.6000105.5D53 D57D53-D55 PolarHBondContact O-N 2.8Å; D55-D57 PolarHBondContact O-N 2.82Å
56V34.4Very low37.5Very low44 Ų44115.7 Ų115.727%0.26763%0.628SS.*  trans-56.9103.3153.6-176.20000103.4L29 L54 L58 L422L29-V56 HydrophobicContact CD2-CG1 4.24Å; L54-V56 PolarHBondContact O-N 2.59Å; V56-L58 HydrophobicContact CB-CD1 4.37Å; V56-L58 HydrophobicContact CB-CG 4.14Å; V56-L58 HydrophobicContact CG1-CD1 4.39Å; V56-L58 HydrophobicContact CG1-CD2 4.1Å; V56-L58 HydrophobicContact CG1-CG 3.78Å; V56-L58 WeakPolarHBondContact O-CG 3.07Å; V56-L58 PolarHBondContact O-N 2.82Å; V56-L422 HydrophobicContact CG2-CD1 4.27Å
57D28.4Very low39.8Very low108 Ų108110.1 Ų110.158%0.57859%0.588SS**  trans-51.786.7166.8-75.3-47.3000107.8K32 D55K32-D57 IonicContact NZ-OD2 3.46Å; K32-D57 PolarHBondContact NZ-OD2 3.43Å; D55-D57 PolarHBondContact O-N 2.82Å
58L34.7Very low42.2Very low79 Ų79110.1 Ų110.141%0.41458%0.584SS.*  trans-92.819172.7-77.3167.8000109.2V56 K60 L447V56-L58 HydrophobicContact CB-CD1 4.37Å; V56-L58 HydrophobicContact CB-CG 4.14Å; V56-L58 HydrophobicContact CG1-CD1 4.39Å; V56-L58 HydrophobicContact CG1-CD2 4.1Å; V56-L58 HydrophobicContact CG1-CG 3.78Å; V56-L58 WeakPolarHBondContact O-CG 3.07Å; V56-L58 PolarHBondContact O-N 2.82Å; L58-K60 PolarHBondContact O-N 2.89Å; L58-L447 HydrophobicContact CD1-CD1 3.82Å; L58-L447 HydrophobicContact CD2-CD1 3.56Å; L58-L447 HydrophobicContact CG-CD1 4.34Å
59S29.6Very low44.7Very low81 Ų81107.6 Ų107.657%0.56655%0.554SS**  trans-57.6117164.354.40000106.3E61S59-E61 PolarHBondContact O-N 2.89Å
60K41.8Very low46.7Very low141 Ų141105.9 Ų105.961%0.61354%0.539SS*.  trans-55.788.4166.7-65.8175.4179179.20106.4L58 S62L58-K60 PolarHBondContact O-N 2.89Å; K60-S62 PolarHBondContact O-N 3.09Å
61E28.3Very low48.5Very low177 Ų177101.3 Ų101.383%0.82754%0.539SS*.  trans-72.252.4155.5-78.5-165.4172.100108.2S59 T63S59-E61 PolarHBondContact O-N 2.89Å; E61-T63 PolarHBondContact O-N 3.3Å
62S47.6Very low50.1Low36 Ų36101.2 Ų101.225%0.25253%0.534SS..  trans-78.681.616774.40000103.6K60 F64K60-S62 PolarHBondContact O-N 3.09Å; S62-F64 PolarHBondContact O-N 2.77Å
63T56.3Low52.3Low99 Ų9991.5 Ų91.561%0.60750%0.501SS*.  trans-44.6110.2178.738.30000108.4E61 R65E61-T63 PolarHBondContact O-N 3.3Å; T63-R65 PolarHBondContact O-N 3.22Å
64F65.9Low54.8Low65 Ų6589.4 Ų89.429%0.28549%0.49SS..  trans-61.9115.9-179.8-172.3-71.8000106.6S62 D66 V162 R166S62-F64 PolarHBondContact O-N 2.77Å; F64-D66 VanDerWaalsContact CD1-OD1 3.23Å; F64-D66 WeakPolarHBondContact CD1-OD1 3.44Å; F64-V162 HydrophobicContact CE2-CG1 4.36Å; F64-R166 HydrophobicContact CD1-CB 4.27Å; F64-R166 HydrophobicContact CD2-CB 3.86Å; F64-R166 HydrophobicContact CD2-CG 4.41Å; F64-R166 HydrophobicContact CE1-CB 4.04Å; F64-R166 HydrophobicContact CE1-CG 3.88Å; F64-R166 HydrophobicContact CE2-CB 3.68Å; F64-R166 HydrophobicContact CE2-CG 3.73Å; F64-R166 HydrophobicContact CG-CB 4.17Å; F64-R166 HydrophobicContact CZ-CB 3.79Å; F64-R166 HydrophobicContact CZ-CG 3.44Å; F64-R166 VanDerWaalsContact CZ-CG 3.44Å
65R74.1Confident57.3Low99 Ų9982.4 Ų82.437%0.37445%0.454SS..PPolyproline II helixtrans-84.3124.1-179.3-61.2-177.9-177.6-174.12.9109.3T63 R166 R169 H199T63-R65 PolarHBondContact O-N 3.22Å; R65-R166 WeakPolarHBondContact CB-O 3.34Å; R65-R166 WeakPolarHBondContact CG-O 3.42Å; R65-R166 PolarHBondContact N-O 3.02Å; R65-R166 VanDerWaalsContact O-CD 3.29Å; R65-R166 WeakPolarHBondContact O-CD 3.37Å; R65-R166 PolarHBondContact O-NH1 3.01Å; R65-R169 VanDerWaalsContact NH1-CG 3.29Å; R65-H199 PolarHBondContact O-CE1 2.91Å
66D78Confident59.6Low81 Ų8179.1 Ų79.143%0.43344%0.44SS..PPolyproline II helixtrans-86.6143.4173.6-65.52.5000109F64 V68 R118F64-D66 VanDerWaalsContact CD1-OD1 3.23Å; F64-D66 WeakPolarHBondContact CD1-OD1 3.44Å; D66-V68 PolarHBondContact O-N 3.36Å; D66-R118 VanDerWaalsContact CG-CZ 3.5Å; D66-R118 IonicContact OD1-CZ 3.41Å; D66-R118 IonicContact OD1-NH1 2.64Å; D66-R118 PolarHBondContact OD1-NH1 3.37Å; D66-R118 IonicContact OD1-NH2 3.79Å; D66-R118 PolarHBondContact OD1-NH2 3.02Å; D66-R118 IonicContact OD2-CZ 3.86Å; D66-R118 IonicContact OD2-NH1 3.79Å; D66-R118 PolarHBondContact OD2-NH1 3.44Å; D66-R118 IonicContact OD2-NH2 3.57Å; D66-R118 PolarHBondContact OD2-NH2 2.9Å
67T78.4Confident62.1Low10 Ų1080.6 Ų80.66%0.06145%0.446CS..PPolyproline II helixtrans-66.5124165.438.60000109Y69 D115 V195 H199T67-Y69 VanDerWaalsContact CB-CE2 3.47Å; T67-Y69 HydrophobicContact CG2-CE2 4.12Å; T67-Y69 PolarHBondContact O-N 2.91Å; T67-Y69 VanDerWaalsContact O-N 3.15Å; T67-Y69 WeakPolarHBondContact OG1-CD2 3.43Å; T67-Y69 WeakPolarHBondContact OG1-CE2 3.44Å; T67-D115 WeakPolarHBondContact CG2-OD2 3.36Å; T67-D115 PolarHBondContact OG1-OD1 3.3Å; T67-D115 VanDerWaalsContact OG1-OD1 3.05Å; T67-D115 PolarHBondContact OG1-OD2 2.96Å; T67-V195 HydrophobicContact CG2-CG2 4.1Å; T67-H199 VanDerWaalsContact CG2-CD2 3.42Å; T67-H199 WeakPolarHBondContact CG2-CD2 3.08Å; T67-H199 WeakPolarHBondContact CG2-NE2 3.19Å
68V76.7Confident64.9Low112 Ų11275.5 Ų75.568%0.67942%0.419SS*.  trans-85.290.6174-175.20000108.4D66 S198D66-V68 PolarHBondContact O-N 3.36Å; V68-S198 PolarHBondContact N-OG 2.85Å
69Y77.1Confident67.6Low41 Ų4173.3 Ų73.316%0.16141%0.406CS..  trans-80.8137.9169.8-70.8-63.1000110T67 C73 L75 D115 F119 L191 A194T67-Y69 VanDerWaalsContact CB-CE2 3.47Å; T67-Y69 HydrophobicContact CG2-CE2 4.12Å; T67-Y69 PolarHBondContact O-N 2.91Å; T67-Y69 VanDerWaalsContact O-N 3.15Å; T67-Y69 WeakPolarHBondContact OG1-CD2 3.43Å; T67-Y69 WeakPolarHBondContact OG1-CE2 3.44Å; Y69-C73 HydrophobicContact CD1-CB 3.84Å; Y69-C73 HydrophobicContact CG-CB 4.15Å; Y69-L75 HydrophobicContact CD2-CD1 4.41Å; Y69-L75 HydrophobicContact CE1-CD1 4.24Å; Y69-L75 HydrophobicContact CE2-CD1 3.73Å; Y69-D115 HydrophobicContact CE2-CB 4.31Å; Y69-D115 PolarHBondContact OH-OD2 2.88Å; Y69-F119 AromaticContact CD2-CE2 3.89Å; Y69-F119 HydrophobicContact CD2-CE2 3.89Å; Y69-F119 HydrophobicContact CD2-CZ 4.02Å; Y69-F119 AromaticContact CE2-CE2 3.8Å; Y69-F119 HydrophobicContact CE2-CE2 3.8Å; Y69-F119 HydrophobicContact CE2-CZ 4.39Å; Y69-L191 HydrophobicContact CD1-CD2 3.75Å; Y69-L191 HydrophobicContact CE1-CB 4.2Å; Y69-L191 HydrophobicContact CE1-CD2 3.52Å; Y69-L191 HydrophobicContact CE1-CG 4.5Å; Y69-A194 HydrophobicContact CD1-CB 3.7Å; Y69-A194 HydrophobicContact CE1-CB 3.82Å
70T68.2Low70.5Confident87 Ų8773.1 Ų73.153%0.53440%0.399SS..  trans-71.6157.5168.156.60000109.3D72 C73T70-D72 PolarHBondContact O-N 2.56Å; T70-C73 WeakPolarHBondContact O-CB 3.4Å; T70-C73 PolarHBondContact O-N 2.93Å; T70-C73 PolarHBondContact OG1-SG 2.84Å; T70-C73 VanDerWaalsContact OG1-SG 3.36Å
71A60.5Low73Confident110 Ų11067.1 Ų67.191%0.90937%0.373SS*.THydrogen-bonded Turntrans-55.6-21-178.800000113.6
72D60.2Low76.1Confident118 Ų11858.7 Ų58.763%0.63133%0.334SS*.THydrogen-bonded Turntrans-89.41.6-178.9-52.4-25.8000113.9T70 D74T70-D72 PolarHBondContact O-N 2.56Å; D72-D74 PolarHBondContact O-N 3Å
73C73Confident78.3Confident25 Ų2558.7 Ų58.717%0.16933%0.331CS..  trans-85.2108.5179.2-75.70000110.6Y69 T70 L191Y69-C73 HydrophobicContact CD1-CB 3.84Å; Y69-C73 HydrophobicContact CG-CB 4.15Å; T70-C73 WeakPolarHBondContact O-CB 3.4Å; T70-C73 PolarHBondContact O-N 2.93Å; T70-C73 PolarHBondContact OG1-SG 2.84Å; T70-C73 VanDerWaalsContact OG1-SG 3.36Å; C73-L191 HydrophobicContact CB-CD2 3.72Å
74D78.4Confident80.1Confident80 Ų8060.1 Ų60.143%0.42833%0.325SS..  trans-93.4111.8169.7-172.10.6000111D72 S76 L77 K121D72-D74 PolarHBondContact O-N 3Å; D74-S76 PolarHBondContact O-N 3.03Å; D74-S76 VanDerWaalsContact OD1-CB 3.31Å; D74-S76 WeakPolarHBondContact OD1-CB 3.45Å; D74-S76 PolarHBondContact OD1-N 3.27Å; D74-S76 PolarHBondContact OD1-OG 2.85Å; D74-S76 WeakPolarHBondContact OD2-CB 3.45Å; D74-S76 PolarHBondContact OD2-OG 2.91Å; D74-L77 HydrophobicContact CB-CD1 4.42Å; D74-L77 HydrophobicContact CB-CG 4.48Å; D74-L77 WeakPolarHBondContact O-CB 3.44Å; D74-L77 PolarHBondContact O-N 3.45Å; D74-K121 IonicContact OD1-NZ 2.83Å
75L82.1Confident81.5Confident11 Ų1157 Ų576%0.05831%0.311CS..G310 helixtrans-60.8-13.5176.3-139.374.5000113.2Y69 L77 C78 D115 L116 F119 L191Y69-L75 HydrophobicContact CD2-CD1 4.41Å; Y69-L75 HydrophobicContact CE1-CD1 4.24Å; Y69-L75 HydrophobicContact CE2-CD1 3.73Å; L75-L77 PolarHBondContact O-N 2.74Å; L75-C78 WeakPolarHBondContact O-CB 3.4Å; L75-C78 PolarHBondContact O-N 3.33Å; L75-C78 PolarHBondContact O-SG 3.44Å; L75-D115 HydrophobicContact CD1-CB 4.45Å; L75-D115 HydrophobicContact CD2-CB 4.28Å; L75-L116 HydrophobicContact CD2-CD2 3.83Å; L75-L116 HydrophobicContact CD2-CG 4.34Å; L75-L116 HydrophobicContact CG-CD2 4.07Å; L75-F119 HydrophobicContact CD2-CB 3.87Å; L75-F119 HydrophobicContact CD2-CD2 3.6Å; L75-F119 HydrophobicContact CD2-CG 4.02Å; L75-L191 HydrophobicContact CD1-CD2 4.15Å
76S78.4Confident82.5Confident57 Ų5753 Ų5340%0.39930%0.297SS..G310 helixtrans-61.9-27.9171790000112.5D74 C78D74-S76 PolarHBondContact O-N 3.03Å; D74-S76 VanDerWaalsContact OD1-CB 3.31Å; D74-S76 WeakPolarHBondContact OD1-CB 3.45Å; D74-S76 PolarHBondContact OD1-N 3.27Å; D74-S76 PolarHBondContact OD1-OG 2.85Å; D74-S76 WeakPolarHBondContact OD2-CB 3.45Å; D74-S76 PolarHBondContact OD2-OG 2.91Å; S76-C78 PolarHBondContact O-N 2.9Å
77L85.9Confident83.2Confident75 Ų7554.2 Ų54.239%0.39330%0.301SS..G310 helixtrans-81.94.8179.6-60.6173.3000113.4D74 L75 F79 D80 E81 L191D74-L77 HydrophobicContact CB-CD1 4.42Å; D74-L77 HydrophobicContact CB-CG 4.48Å; D74-L77 WeakPolarHBondContact O-CB 3.44Å; D74-L77 PolarHBondContact O-N 3.45Å; L75-L77 PolarHBondContact O-N 2.74Å; L77-F79 VanDerWaalsContact C-N 3.26Å; L77-F79 PolarHBondContact O-N 3.34Å; L77-D80 PolarHBondContact O-N 3.27Å; L77-E81 PolarHBondContact O-N 2.99Å; L77-L191 HydrophobicContact CB-CD1 4.34Å
78C88.5Confident84Confident1 Ų155.8 Ų55.81%0.00731%0.305CS..Hα-helixtrans-56.7-38.7-179.1610000112.8L75 S76 Y82 L191L75-C78 WeakPolarHBondContact O-CB 3.4Å; L75-C78 PolarHBondContact O-N 3.33Å; L75-C78 PolarHBondContact O-SG 3.44Å; S76-C78 PolarHBondContact O-N 2.9Å; C78-Y82 WeakPolarHBondContact O-CB 3.34Å; C78-Y82 PolarHBondContact O-N 3.17Å; C78-L191 HydrophobicContact CB-CD1 4.22Å
79F90.5Very high84.7Confident34 Ų3450.4 Ų50.415%0.14927%0.273CS..Hα-helixtrans-60.5-53.4175.6-79-85.5000111.1L77 Y82 D83 V124 T127 F128 F132L77-F79 VanDerWaalsContact C-N 3.26Å; L77-F79 PolarHBondContact O-N 3.34Å; F79-Y82 PolarHBondContact O-N 2.94Å; F79-D83 WeakPolarHBondContact O-CB 3.47Å; F79-D83 PolarHBondContact O-N 3.14Å; F79-V124 HydrophobicContact CD2-CG1 4.24Å; F79-V124 HydrophobicContact CE2-CG1 3.56Å; F79-T127 HydrophobicContact CE1-CG2 4.18Å; F79-T127 HydrophobicContact CZ-CG2 3.84Å; F79-F128 AromaticContact CD1-CD2 3.99Å; F79-F128 HydrophobicContact CD1-CD2 3.99Å; F79-F128 HydrophobicContact CD2-CD2 4.42Å; F79-F128 VanDerWaalsContact CE1-CA 3.49Å; F79-F128 HydrophobicContact CE1-CB 3.93Å; F79-F128 AromaticContact CE1-CD2 3.96Å; F79-F128 HydrophobicContact CE1-CD2 3.96Å; F79-F128 HydrophobicContact CE1-CG 4.4Å; F79-F128 HydrophobicContact CE2-CB 4.22Å; F79-F128 HydrophobicContact CE2-CD2 4.39Å; F79-F128 HydrophobicContact CG-CD2 4.23Å; F79-F128 VanDerWaalsContact CZ-CA 3.46Å; F79-F128 HydrophobicContact CZ-CB 3.61Å; F79-F128 HydrophobicContact CZ-CD2 4.16Å; F79-F128 HydrophobicContact CZ-CG 4.4Å; F79-F128 VanDerWaalsContact CZ-N 3.31Å; F79-F132 AromaticContact CD1-CE2 3.76Å; F79-F132 HydrophobicContact CD1-CE2 3.76Å; F79-F132 HydrophobicContact CD1-CZ 4.42Å; F79-F132 HydrophobicContact CE1-CE2 4.24Å
80D91.2Very high85.3Confident76 Ų7651.7 Ų51.741%0.40629%0.285SS..Hα-helixtrans-65.5-43.6-176-70.7-3.6000111.8L77 R84L77-D80 PolarHBondContact O-N 3.27Å; D80-R84 VanDerWaalsContact O-CB 3.31Å; D80-R84 WeakPolarHBondContact O-CB 3.38Å; D80-R84 WeakPolarHBondContact O-CG 2.96Å; D80-R84 PolarHBondContact O-N 3.26Å
81E93.6Very high86.5Confident15 Ų1550.7 Ų50.77%0.0729%0.285CS..Hα-helixtrans-68.5-41.9179.7-71.4-157.3-174.300112.3L77 F85 L189 R190 L191 V192L77-E81 PolarHBondContact O-N 2.99Å; E81-F85 WeakPolarHBondContact O-CB 3.5Å; E81-F85 PolarHBondContact O-N 3.29Å; E81-L189 HydrophobicContact CB-CD2 4.21Å; E81-L189 HydrophobicContact CG-CD2 4.11Å; E81-R190 PolarHBondContact OE1-N 3.16Å; E81-R190 PolarHBondContact OE2-N 3.39Å; E81-R190 VanDerWaalsContact OE2-N 3.08Å; E81-L191 WeakPolarHBondContact OE2-CA 3.36Å; E81-L191 VanDerWaalsContact OE2-CB 3.22Å; E81-L191 WeakPolarHBondContact OE2-CB 3.45Å; E81-L191 PolarHBondContact OE2-N 2.89Å; E81-V192 HydrophobicContact CB-CG2 4.28Å; E81-V192 PolarHBondContact OE2-N 3.26Å
82Y94.5Very high87.9Confident0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-68.4-43.4177.3-171.8-94.7000111.7C78 F79 R84 F85 L86 L105 L108 F109 L112 F128 F132 Q136C78-Y82 WeakPolarHBondContact O-CB 3.34Å; C78-Y82 PolarHBondContact O-N 3.17Å; F79-Y82 PolarHBondContact O-N 2.94Å; Y82-R84 PolarHBondContact O-N 3.49Å; Y82-F85 PolarHBondContact O-N 3.26Å; Y82-L86 HydrophobicContact CE1-CD2 4.5Å; Y82-L86 WeakPolarHBondContact O-CB 3.18Å; Y82-L86 PolarHBondContact O-N 2.79Å; Y82-L105 PolarHBondContact OH-O 3.48Å; Y82-L108 HydrophobicContact CD2-CB 4.37Å; Y82-L108 HydrophobicContact CE2-CB 4Å; Y82-F109 HydrophobicContact CE2-CB 3.95Å; Y82-L112 HydrophobicContact CD2-CD1 3.85Å; Y82-L112 HydrophobicContact CG-CD1 4.4Å; Y82-F128 HydrophobicContact CD1-CE2 4.38Å; Y82-F128 HydrophobicContact CD1-CZ 4.09Å; Y82-F128 HydrophobicContact CD2-CZ 4.22Å; Y82-F128 HydrophobicContact CG-CE2 4.19Å; Y82-F128 AromaticContact CG-CZ 3.84Å; Y82-F128 HydrophobicContact CG-CZ 3.84Å; Y82-F132 HydrophobicContact CD1-CB 4.41Å; Y82-F132 AromaticContact CD1-CD1 3.71Å; Y82-F132 HydrophobicContact CD1-CD1 3.71Å; Y82-F132 AromaticContact CD1-CD2 3.84Å; Y82-F132 HydrophobicContact CD1-CD2 3.84Å; Y82-F132 AromaticContact CD1-CE1 3.8Å; Y82-F132 HydrophobicContact CD1-CE1 3.8Å; Y82-F132 AromaticContact CD1-CE2 3.93Å; Y82-F132 HydrophobicContact CD1-CE2 3.93Å; Y82-F132 AromaticContact CD1-CG 3.73Å; Y82-F132 HydrophobicContact CD1-CG 3.73Å; Y82-F132 AromaticContact CD1-CZ 3.91Å; Y82-F132 HydrophobicContact CD1-CZ 3.91Å; Y82-F132 HydrophobicContact CE1-CB 3.92Å; Y82-F132 AromaticContact CE1-CD1 3.68Å; Y82-F132 HydrophobicContact CE1-CD1 3.68Å; Y82-F132 HydrophobicContact CE1-CD2 4.23Å; Y82-F132 HydrophobicContact CE1-CE1 4.21Å; Y82-F132 AromaticContact CE1-CG 3.69Å; Y82-F132 HydrophobicContact CE1-CG 3.69Å; Y82-Q136 PolarHBondContact OH-NE2 3.14Å; Y82-Q136 VanDerWaalsContact OH-NE2 3.07Å
83D93.9Very high89.2Confident36 Ų3647.5 Ų47.519%0.19325%0.248CC..Hα-helixtrans-62.2-42.9177.8-165.968000111.4F79 L86 Q87 R131 F132F79-D83 WeakPolarHBondContact O-CB 3.47Å; F79-D83 PolarHBondContact O-N 3.14Å; D83-L86 PolarHBondContact O-N 2.64Å; D83-Q87 WeakPolarHBondContact O-CB 3.46Å; D83-Q87 VanDerWaalsContact O-CG 3.27Å; D83-Q87 WeakPolarHBondContact O-CG 3.2Å; D83-Q87 PolarHBondContact O-N 3.35Å; D83-Q87 PolarHBondContact OD2-NE2 3.35Å; D83-R131 IonicContact OD1-CZ 3.77Å; D83-R131 IonicContact OD1-NH2 3.52Å; D83-R131 PolarHBondContact OD1-NH2 2.76Å; D83-R131 IonicContact OD2-NH2 2.75Å; D83-R131 PolarHBondContact OD2-NH2 3.29Å; D83-F132 HydrophobicContact CB-CE1 4.36Å; D83-F132 HydrophobicContact CB-CZ 4.05Å
84R94Very high90Very high129 Ų12949.2 Ų49.249%0.48726%0.259SS..Hα-helixtrans-62.6-41.7172.8-74.5176.7-156.8156.59.7112.2D80 Y82 W88 M185 L189D80-R84 VanDerWaalsContact O-CB 3.31Å; D80-R84 WeakPolarHBondContact O-CB 3.38Å; D80-R84 WeakPolarHBondContact O-CG 2.96Å; D80-R84 PolarHBondContact O-N 3.26Å; Y82-R84 PolarHBondContact O-N 3.49Å; R84-W88 VanDerWaalsContact O-CB 3.22Å; R84-W88 WeakPolarHBondContact O-CB 3.29Å; R84-W88 PolarHBondContact O-N 3.04Å; R84-M185 HydrophobicContact CB-CE 4.46Å; R84-L189 HydrophobicContact CB-CD2 4.31Å
85F94.7Very high90.6Very high0 Ų050 Ų500%026%0.263CS..Hα-helixtrans-66-41.8177.2-173.3-95.1000111.7E81 Y82 W88 A89 L104 L105 L108 L182 V186 L189 V192E81-F85 WeakPolarHBondContact O-CB 3.5Å; E81-F85 PolarHBondContact O-N 3.29Å; Y82-F85 PolarHBondContact O-N 3.26Å; F85-W88 HydrophobicContact CD2-CE3 4.02Å; F85-W88 HydrophobicContact CD2-CZ3 4.25Å; F85-W88 AromaticContact CE2-CE3 3.84Å; F85-W88 HydrophobicContact CE2-CE3 3.84Å; F85-W88 AromaticContact CE2-CZ3 3.6Å; F85-W88 HydrophobicContact CE2-CZ3 3.6Å; F85-W88 HydrophobicContact CZ-CE3 4.34Å; F85-W88 AromaticContact CZ-CZ3 3.96Å; F85-W88 HydrophobicContact CZ-CZ3 3.96Å; F85-W88 PolarHBondContact O-N 2.8Å; F85-A89 HydrophobicContact CE1-CB 4.38Å; F85-A89 VanDerWaalsContact O-CB 3.23Å; F85-A89 WeakPolarHBondContact O-CB 3.5Å; F85-A89 PolarHBondContact O-N 2.91Å; F85-L104 HydrophobicContact CE1-CB 4.1Å; F85-L104 HydrophobicContact CZ-CB 4.05Å; F85-L104 HydrophobicContact CZ-CD1 4.06Å; F85-L105 HydrophobicContact CD1-CD2 3.82Å; F85-L105 HydrophobicContact CE1-CD2 3.93Å; F85-L108 HydrophobicContact CD1-CD1 3.63Å; F85-L108 HydrophobicContact CE1-CD1 3.39Å; F85-L108 HydrophobicContact CE2-CD1 4.4Å; F85-L108 HydrophobicContact CG-CD1 4.24Å; F85-L108 HydrophobicContact CZ-CD1 3.81Å; F85-L182 HydrophobicContact CE2-CD1 3.86Å; F85-L182 HydrophobicContact CZ-CD1 4.14Å; F85-V186 HydrophobicContact CE2-CG2 4.49Å; F85-L189 HydrophobicContact CB-CD1 3.8Å; F85-L189 HydrophobicContact CD2-CD1 3.92Å; F85-L189 HydrophobicContact CG-CD1 4.35Å; F85-V192 HydrophobicContact CD2-CG1 4.09Å; F85-V192 HydrophobicContact CE2-CG1 4.36Å; F85-V192 HydrophobicContact CG-CG1 4.47Å
86L94Very high91Very high15 Ų1555 Ų558%0.07928%0.282CS..Hα-helixtrans-62.5-50.3177177.465.7000111.4Y82 D83 W88 A89 T90 L105 F132 E135Y82-L86 HydrophobicContact CE1-CD2 4.5Å; Y82-L86 WeakPolarHBondContact O-CB 3.18Å; Y82-L86 PolarHBondContact O-N 2.79Å; D83-L86 PolarHBondContact O-N 2.64Å; L86-W88 VanDerWaalsContact C-N 3.32Å; L86-W88 PolarHBondContact O-N 2.57Å; L86-A89 PolarHBondContact O-N 3.24Å; L86-T90 HydrophobicContact CD1-CG2 4.24Å; L86-T90 WeakPolarHBondContact O-CB 3.36Å; L86-T90 VanDerWaalsContact O-CG2 3.28Å; L86-T90 WeakPolarHBondContact O-CG2 3.3Å; L86-T90 PolarHBondContact O-N 3.4Å; L86-T90 PolarHBondContact O-OG1 2.81Å; L86-L105 HydrophobicContact CB-CD2 4.36Å; L86-L105 HydrophobicContact CD1-CD1 3.73Å; L86-L105 HydrophobicContact CD1-CD2 3.73Å; L86-L105 HydrophobicContact CD1-CG 4.35Å; L86-F132 HydrophobicContact CD2-CD1 4.09Å; L86-F132 HydrophobicContact CD2-CE1 4.16Å; L86-E135 HydrophobicContact CD2-CB 4.48Å; L86-E135 HydrophobicContact CD2-CG 4.06Å
87Q93.5Very high91.7Very high107 Ų10752.6 Ų52.650%0.526%0.264SS..Hα-helixtrans-60.7-41.3175.9-72.117316.800111.8D83 T90 A91D83-Q87 WeakPolarHBondContact O-CB 3.46Å; D83-Q87 VanDerWaalsContact O-CG 3.27Å; D83-Q87 WeakPolarHBondContact O-CG 3.2Å; D83-Q87 PolarHBondContact O-N 3.35Å; D83-Q87 PolarHBondContact OD2-NE2 3.35Å; Q87-T90 WeakPolarHBondContact CA-OG1 3.36Å; Q87-T90 PolarHBondContact O-OG1 3.02Å; Q87-T90 VanDerWaalsContact O-OG1 3.06Å; Q87-A91 WeakPolarHBondContact O-CB 3.38Å; Q87-A91 PolarHBondContact O-N 3.26Å; Q87-A91 VanDerWaalsContact O-N 3.1Å
88W94.7Very high92.1Very high42 Ų4253.2 Ų53.216%0.15926%0.261CS..Hα-helixtrans-63.4-53.6174.817279.8000111.4R84 F85 L86 T90 A91 V92 L101 L182 M185R84-W88 VanDerWaalsContact O-CB 3.22Å; R84-W88 WeakPolarHBondContact O-CB 3.29Å; R84-W88 PolarHBondContact O-N 3.04Å; F85-W88 HydrophobicContact CD2-CE3 4.02Å; F85-W88 HydrophobicContact CD2-CZ3 4.25Å; F85-W88 AromaticContact CE2-CE3 3.84Å; F85-W88 HydrophobicContact CE2-CE3 3.84Å; F85-W88 AromaticContact CE2-CZ3 3.6Å; F85-W88 HydrophobicContact CE2-CZ3 3.6Å; F85-W88 HydrophobicContact CZ-CE3 4.34Å; F85-W88 AromaticContact CZ-CZ3 3.96Å; F85-W88 HydrophobicContact CZ-CZ3 3.96Å; F85-W88 PolarHBondContact O-N 2.8Å; L86-W88 VanDerWaalsContact C-N 3.32Å; L86-W88 PolarHBondContact O-N 2.57Å; W88-T90 PolarHBondContact O-N 2.98Å; W88-A91 CarbonylContact O-C 3.41Å; W88-A91 PolarHBondContact O-N 3.12Å; W88-V92 HydrophobicContact CD2-CG2 3.74Å; W88-V92 HydrophobicContact CE3-CG2 4.17Å; W88-V92 HydrophobicContact CG-CG2 4.19Å; W88-V92 HydrophobicContact CH2-CG2 4.25Å; W88-V92 HydrophobicContact CZ2-CG2 3.84Å; W88-V92 HydrophobicContact CZ3-CG2 4.4Å; W88-V92 WeakPolarHBondContact O-CG2 3.34Å; W88-V92 PolarHBondContact O-N 3.18Å; W88-L101 HydrophobicContact CH2-CD1 3.69Å; W88-L101 HydrophobicContact CH2-CD2 3.99Å; W88-L101 HydrophobicContact CH2-CG 4.33Å; W88-L101 HydrophobicContact CZ2-CD1 4.17Å; W88-L101 HydrophobicContact CZ3-CD1 4.24Å; W88-L101 HydrophobicContact CZ3-CD2 4.43Å; W88-L182 HydrophobicContact CH2-CB 4.37Å; W88-L182 HydrophobicContact CH2-CD1 3.83Å; W88-L182 HydrophobicContact CZ3-CD1 3.9Å; W88-M185 HydrophobicContact CB-CE 3.64Å; W88-M185 HydrophobicContact CB-SD 4.21Å; W88-M185 HydrophobicContact CD2-CB 4.09Å; W88-M185 HydrophobicContact CD2-CE 4.47Å; W88-M185 HydrophobicContact CD2-CG 3.57Å; W88-M185 HydrophobicContact CD2-SD 4.13Å; W88-M185 HydrophobicContact CE3-CB 4.42Å; W88-M185 HydrophobicContact CE3-CG 3.86Å; W88-M185 HydrophobicContact CG-CE 3.88Å; W88-M185 HydrophobicContact CG-CG 3.88Å; W88-M185 HydrophobicContact CG-SD 3.78Å; W88-M185 HydrophobicContact CH2-CB 4.14Å; W88-M185 HydrophobicContact CH2-CG 4.47Å; W88-M185 HydrophobicContact CZ2-CB 3.78Å; W88-M185 HydrophobicContact CZ2-CG 4.21Å; W88-M185 HydrophobicContact CZ3-CB 4.45Å; W88-M185 HydrophobicContact CZ3-CG 4.31Å
89A92.4Very high92.3Very high0 Ų054 Ų540%027%0.266CS..Hα-helixtrans-57.5-38.5-177.400000111.7F85 L86 R98 L105F85-A89 HydrophobicContact CE1-CB 4.38Å; F85-A89 VanDerWaalsContact O-CB 3.23Å; F85-A89 WeakPolarHBondContact O-CB 3.5Å; F85-A89 PolarHBondContact O-N 2.91Å; L86-A89 PolarHBondContact O-N 3.24Å; A89-R98 WeakPolarHBondContact O-CG 3.4Å; A89-L105 HydrophobicContact CB-CD2 4.23Å
90T89.9Confident92.4Very high67 Ų6752.3 Ų52.341%0.41126%0.259SS..Hα-helixtrans-77.9-13176.255.20000113.8L86 Q87 W88 R98L86-T90 HydrophobicContact CD1-CG2 4.24Å; L86-T90 WeakPolarHBondContact O-CB 3.36Å; L86-T90 VanDerWaalsContact O-CG2 3.28Å; L86-T90 WeakPolarHBondContact O-CG2 3.3Å; L86-T90 PolarHBondContact O-N 3.4Å; L86-T90 PolarHBondContact O-OG1 2.81Å; Q87-T90 WeakPolarHBondContact CA-OG1 3.36Å; Q87-T90 PolarHBondContact O-OG1 3.02Å; Q87-T90 VanDerWaalsContact O-OG1 3.06Å; W88-T90 PolarHBondContact O-N 2.98Å; T90-R98 PolarHBondContact O-NE 2.82Å; T90-R98 PolarHBondContact O-NH2 3.41Å
91A92.3Very high92.5Very high66 Ų6648.7 Ų48.755%0.54524%0.239SC..Hα-helixtrans-120.312-179.700000114.2Q87 W88 E93Q87-A91 WeakPolarHBondContact O-CB 3.38Å; Q87-A91 PolarHBondContact O-N 3.26Å; Q87-A91 VanDerWaalsContact O-N 3.1Å; W88-A91 CarbonylContact O-C 3.41Å; W88-A91 PolarHBondContact O-N 3.12Å; A91-E93 PolarHBondContact O-N 3.36Å
92V91.3Very high92.5Very high3 Ų349.5 Ų49.52%0.01825%0.246CC..PPolyproline II helixtrans-65.8125.4-177.6-1780000111.6W88 P94 L101 K181W88-V92 HydrophobicContact CD2-CG2 3.74Å; W88-V92 HydrophobicContact CE3-CG2 4.17Å; W88-V92 HydrophobicContact CG-CG2 4.19Å; W88-V92 HydrophobicContact CH2-CG2 4.25Å; W88-V92 HydrophobicContact CZ2-CG2 3.84Å; W88-V92 HydrophobicContact CZ3-CG2 4.4Å; W88-V92 WeakPolarHBondContact O-CG2 3.34Å; W88-V92 PolarHBondContact O-N 3.18Å; V92-P94 CarbonylContact O-C 3.56Å; V92-L101 HydrophobicContact CB-CD1 4.11Å; V92-L101 HydrophobicContact CG1-CD1 3.85Å; V92-L101 HydrophobicContact CG2-CD1 3.76Å; V92-K181 HydrophobicContact CG1-CD 4.44Å; V92-K181 HydrophobicContact CG1-CG 4.5Å
93E86.6Confident92.4Very high158 Ų15850.5 Ų50.574%0.73826%0.255SS*.SBendtrans-93.3138.3164.8-66.3-172.7167.400111.7A91A91-E93 PolarHBondContact O-N 3.36Å
94P90Very high92.4Very high61 Ų6148.8 Ų48.840%0.39625%0.246SC..SBendcis-76.1148.7-4.630.9-34.5000112.9V92 R96 L97V92-P94 CarbonylContact O-C 3.56Å; P94-R96 HydrophobicContact CB-CG 4.12Å; P94-R96 HydrophobicContact CG-CG 3.9Å; P94-R96 PolarHBondContact O-N 2.85Å; P94-L97 HydrophobicContact CG-CD1 4.24Å; P94-L97 HydrophobicContact CG-CG 4.17Å; P94-L97 PolarHBondContact O-N 3.1Å
95D89.7Confident92.5Very high98 Ų9843.6 Ų43.652%0.52423%0.227SC..G310 helixtrans-52-27-175.5-77.9-35.4000114.3L97 R98D95-L97 PolarHBondContact O-N 2.92Å; D95-L97 VanDerWaalsContact O-N 3.17Å; D95-R98 VanDerWaalsContact O-CB 3.23Å; D95-R98 WeakPolarHBondContact O-CB 3.41Å; D95-R98 PolarHBondContact O-N 2.91Å; D95-R98 VanDerWaalsContact O-N 3.11Å; D95-R98 IonicContact OD1-CZ 2.64Å; D95-R98 IonicContact OD1-NH1 2.96Å; D95-R98 PolarHBondContact OD1-NH1 2.89Å; D95-R98 IonicContact OD1-NH2 3.54Å; D95-R98 PolarHBondContact OD1-NH2 3.37Å
96R91.9Very high92.5Very high116 Ų11643.9 Ų43.944%0.43823%0.229SC..G310 helixtrans-59.5-22.6177.266.1-179.1-179.7121.60.8114.5P94 E177 S209P94-R96 HydrophobicContact CB-CG 4.12Å; P94-R96 HydrophobicContact CG-CG 3.9Å; P94-R96 PolarHBondContact O-N 2.85Å; R96-E177 IonicContact CZ-OE1 2.74Å; R96-E177 IonicContact CZ-OE2 3.61Å; R96-E177 IonicContact NH1-OE1 2.79Å; R96-E177 IonicContact NH1-OE2 3Å; R96-E177 PolarHBondContact NH1-OE2 2.95Å; R96-E177 IonicContact NH2-OE1 3.22Å; R96-E177 PolarHBondContact NH2-OE1 3.18Å; R96-E177 IonicContact NH2-OE2 3.96Å; R96-E177 PolarHBondContact NH2-OE2 3.13Å; R96-S209 WeakPolarHBondContact O-CB 3.37Å; R96-S209 PolarHBondContact O-OG 3.01Å
97L92.3Very high92.5Very high5 Ų543.1 Ų43.13%0.02623%0.225CC..G310 helixtrans-86.8-19.8178.8-54.4-178.2000112.6P94 D95 P99 E100 L101 E177 K181P94-L97 HydrophobicContact CG-CD1 4.24Å; P94-L97 HydrophobicContact CG-CG 4.17Å; P94-L97 PolarHBondContact O-N 3.1Å; D95-L97 PolarHBondContact O-N 2.92Å; D95-L97 VanDerWaalsContact O-N 3.17Å; L97-P99 VanDerWaalsContact C-CD 3.45Å; L97-P99 VanDerWaalsContact C-N 3.34Å; L97-E100 PolarHBondContact O-N 2.95Å; L97-L101 HydrophobicContact CB-CD1 4.15Å; L97-L101 WeakPolarHBondContact O-CG 3.27Å; L97-L101 PolarHBondContact O-N 2.79Å; L97-L101 VanDerWaalsContact O-N 3.14Å; L97-E177 HydrophobicContact CD2-CB 4.05Å; L97-K181 HydrophobicContact CD1-CB 4.35Å; L97-K181 HydrophobicContact CD1-CG 4.26Å
98R93.6Very high92.5Very high88 Ų8838 Ų3833%0.33220%0.201SC..Hα-helixtrans-51.2-45.6-177.3178.5-173.1-77.9129.13.1112.2A89 T90 D95 E100 L101 S102A89-R98 WeakPolarHBondContact O-CG 3.4Å; T90-R98 PolarHBondContact O-NE 2.82Å; T90-R98 PolarHBondContact O-NH2 3.41Å; D95-R98 VanDerWaalsContact O-CB 3.23Å; D95-R98 WeakPolarHBondContact O-CB 3.41Å; D95-R98 PolarHBondContact O-N 2.91Å; D95-R98 VanDerWaalsContact O-N 3.11Å; D95-R98 IonicContact OD1-CZ 2.64Å; D95-R98 IonicContact OD1-NH1 2.96Å; D95-R98 PolarHBondContact OD1-NH1 2.89Å; D95-R98 IonicContact OD1-NH2 3.54Å; D95-R98 PolarHBondContact OD1-NH2 3.37Å; R98-E100 PolarHBondContact O-N 2.65Å; R98-L101 PolarHBondContact O-N 3.42Å; R98-S102 VanDerWaalsContact O-CB 3.26Å; R98-S102 WeakPolarHBondContact O-CB 3.43Å; R98-S102 PolarHBondContact O-N 2.95Å; R98-S102 PolarHBondContact O-OG 3.44Å
99P92.7Very high92.5Very high17 Ų1736.1 Ų36.111%0.1119%0.194CC..Hα-helixtrans-62-46.5-178.2-25.537.5000113.6L97 L101 S102 A103 D212 I215L97-P99 VanDerWaalsContact C-CD 3.45Å; L97-P99 VanDerWaalsContact C-N 3.34Å; P99-L101 PolarHBondContact O-N 2.81Å; P99-S102 PolarHBondContact O-N 2.98Å; P99-S102 PolarHBondContact O-OG 3.2Å; P99-A103 PolarHBondContact O-N 3.21Å; P99-D212 HydrophobicContact CB-CB 4.06Å; P99-D212 HydrophobicContact CG-CB 3.95Å; P99-I215 HydrophobicContact CB-CD1 3.53Å
100E93.8Very high92.6Very high0 Ų036.1 Ų36.10%019%0.194CC..Hα-helixtrans-64.6-40.2179.1-71-16916000112.1L97 R98 A103 L174 S175 S178 H205 R210 I215L97-E100 PolarHBondContact O-N 2.95Å; R98-E100 PolarHBondContact O-N 2.65Å; E100-A103 WeakPolarHBondContact O-CB 3.46Å; E100-A103 PolarHBondContact O-N 3.29Å; E100-L174 HydrophobicContact CB-CD2 3.87Å; E100-L174 WeakPolarHBondContact O-CD2 3.49Å; E100-S175 PolarHBondContact OE1-N 3.41Å; E100-S175 VanDerWaalsContact OE2-CB 3.28Å; E100-S175 WeakPolarHBondContact OE2-CB 3.32Å; E100-S175 PolarHBondContact OE2-N 2.73Å; E100-S175 PolarHBondContact OE2-OG 3.32Å; E100-S178 VanDerWaalsContact OE2-CB 3.27Å; E100-S178 WeakPolarHBondContact OE2-CB 3.41Å; E100-S178 PolarHBondContact OE2-OG 3.13Å; E100-H205 IonicContact OE1-CE1 2.81Å; E100-H205 IonicContact OE1-NE2 2.92Å; E100-H205 PolarHBondContact OE1-NE2 3.18Å; E100-R210 HydrophobicContact CG-CB 4.36Å; E100-R210 PolarHBondContact OE1-N 2.64Å; E100-R210 IonicContact OE1-NE 3.59Å; E100-I215 HydrophobicContact CB-CD1 4.34Å; E100-I215 HydrophobicContact CG-CD1 3.79Å
101L94.1Very high92.8Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-72.7-33.8179.3-64.3174.6000112.2W88 V92 L97 R98 P99 A103 L104 L182W88-L101 HydrophobicContact CH2-CD1 3.69Å; W88-L101 HydrophobicContact CH2-CD2 3.99Å; W88-L101 HydrophobicContact CH2-CG 4.33Å; W88-L101 HydrophobicContact CZ2-CD1 4.17Å; W88-L101 HydrophobicContact CZ3-CD1 4.24Å; W88-L101 HydrophobicContact CZ3-CD2 4.43Å; V92-L101 HydrophobicContact CB-CD1 4.11Å; V92-L101 HydrophobicContact CG1-CD1 3.85Å; V92-L101 HydrophobicContact CG2-CD1 3.76Å; L97-L101 HydrophobicContact CB-CD1 4.15Å; L97-L101 WeakPolarHBondContact O-CG 3.27Å; L97-L101 PolarHBondContact O-N 2.79Å; L97-L101 VanDerWaalsContact O-N 3.14Å; R98-L101 PolarHBondContact O-N 3.42Å; P99-L101 PolarHBondContact O-N 2.81Å; L101-A103 PolarHBondContact O-N 2.56Å; L101-L104 WeakPolarHBondContact O-CB 3.25Å; L101-L104 PolarHBondContact O-N 3.24Å; L101-L182 HydrophobicContact CD2-CB 4.03Å; L101-L182 HydrophobicContact CD2-CD1 4.23Å
102S92.8Very high92.8Very high31 Ų3130 Ų3022%0.21715%0.149CC..Hα-helixtrans-66.1-21.8175.973.90000113.4R98 P99 L104 L105R98-S102 VanDerWaalsContact O-CB 3.26Å; R98-S102 WeakPolarHBondContact O-CB 3.43Å; R98-S102 PolarHBondContact O-N 2.95Å; R98-S102 PolarHBondContact O-OG 3.44Å; P99-S102 PolarHBondContact O-N 2.98Å; P99-S102 PolarHBondContact O-OG 3.2Å; S102-L104 PolarHBondContact O-N 2.85Å; S102-L104 VanDerWaalsContact O-N 3.13Å; S102-L105 WeakPolarHBondContact O-CB 3.29Å; S102-L105 VanDerWaalsContact O-CG 3.29Å; S102-L105 WeakPolarHBondContact O-CG 3.1Å; S102-L105 PolarHBondContact O-N 2.8Å
103A92.9Very high92.8Very high22 Ų2229.9 Ų29.918%0.18215%0.149CC..THydrogen-bonded Turntrans-62.7-18.217500000113.3P99 E100 L101 P107 V172 I215P99-A103 PolarHBondContact O-N 3.21Å; E100-A103 WeakPolarHBondContact O-CB 3.46Å; E100-A103 PolarHBondContact O-N 3.29Å; L101-A103 PolarHBondContact O-N 2.56Å; A103-P107 WeakPolarHBondContact O-CD 3.04Å; A103-V172 HydrophobicContact CB-CG1 4.09Å; A103-I215 HydrophobicContact CB-CG2 4.4Å
104L94.2Very high93Very high0 Ų022.4 Ų22.40%011%0.114CC..THydrogen-bonded Turntrans-80.3-16.1175.7-67.4165000113.4F85 L101 S102 F106 P107 L108 V172 L182 I200 L202F85-L104 HydrophobicContact CE1-CB 4.1Å; F85-L104 HydrophobicContact CZ-CB 4.05Å; F85-L104 HydrophobicContact CZ-CD1 4.06Å; L101-L104 WeakPolarHBondContact O-CB 3.25Å; L101-L104 PolarHBondContact O-N 3.24Å; S102-L104 PolarHBondContact O-N 2.85Å; S102-L104 VanDerWaalsContact O-N 3.13Å; L104-F106 PolarHBondContact O-N 3.42Å; L104-P107 WeakPolarHBondContact O-CD 3.4Å; L104-P107 WeakPolarHBondContact O-CG 3.47Å; L104-L108 HydrophobicContact CB-CD1 4.16Å; L104-L108 VanDerWaalsContact O-CB 3.31Å; L104-L108 WeakPolarHBondContact O-CB 3.36Å; L104-L108 WeakPolarHBondContact O-CD1 2.86Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 2.8Å; L104-L108 VanDerWaalsContact O-N 3.14Å; L104-V172 HydrophobicContact CD2-CB 4.31Å; L104-V172 HydrophobicContact CD2-CG1 4.25Å; L104-V172 HydrophobicContact CD2-CG2 3.9Å; L104-V172 HydrophobicContact CG-CG1 4.46Å; L104-L182 HydrophobicContact CD1-CD1 3.76Å; L104-L182 HydrophobicContact CD1-CD2 3.71Å; L104-L182 HydrophobicContact CD1-CG 4.41Å; L104-I200 HydrophobicContact CD2-CD1 4.11Å; L104-I200 HydrophobicContact CD2-CG2 3.96Å; L104-L202 HydrophobicContact CD2-CD2 4Å
105L94.7Very high93Very high19 Ų1919.5 Ų19.510%0.09910%0.095CC..Hα-helixtrans-62.6-44.7-172.5-66.7174.2000112.9Y82 F85 L86 A89 S102 F109Y82-L105 PolarHBondContact OH-O 3.48Å; F85-L105 HydrophobicContact CD1-CD2 3.82Å; F85-L105 HydrophobicContact CE1-CD2 3.93Å; L86-L105 HydrophobicContact CB-CD2 4.36Å; L86-L105 HydrophobicContact CD1-CD1 3.73Å; L86-L105 HydrophobicContact CD1-CD2 3.73Å; L86-L105 HydrophobicContact CD1-CG 4.35Å; A89-L105 HydrophobicContact CB-CD2 4.23Å; S102-L105 WeakPolarHBondContact O-CB 3.29Å; S102-L105 VanDerWaalsContact O-CG 3.29Å; S102-L105 WeakPolarHBondContact O-CG 3.1Å; S102-L105 PolarHBondContact O-N 2.8Å; L105-F109 VanDerWaalsContact O-CB 3.27Å; L105-F109 WeakPolarHBondContact O-CB 3.47Å; L105-F109 PolarHBondContact O-N 2.93Å
106F94.3Very high93Very high6 Ų614.8 Ų14.83%0.0267%0.07CC..Hα-helixtrans-65.6-55.1179.3175.6-104.5000113.3L104 L108 F109 V110 Y140 Y143 V144 Y170L104-F106 PolarHBondContact O-N 3.42Å; F106-L108 VanDerWaalsContact C-N 3.27Å; F106-L108 PolarHBondContact O-N 2.95Å; F106-F109 WeakPolarHBondContact O-CB 3.18Å; F106-F109 PolarHBondContact O-N 3.42Å; F106-V110 HydrophobicContact CD2-CG2 3.94Å; F106-V110 HydrophobicContact CE1-CG2 4.22Å; F106-V110 HydrophobicContact CE2-CG2 3.46Å; F106-V110 VanDerWaalsContact CE2-CG2 3.46Å; F106-V110 HydrophobicContact CZ-CG2 3.63Å; F106-V110 WeakPolarHBondContact O-CG2 3.49Å; F106-V110 PolarHBondContact O-N 3.07Å; F106-Y140 HydrophobicContact CB-CD2 3.94Å; F106-Y140 HydrophobicContact CB-CE2 3.7Å; F106-Y140 AromaticContact CD1-CD1 3.94Å; F106-Y140 HydrophobicContact CD1-CD1 3.94Å; F106-Y140 HydrophobicContact CD1-CD2 4.18Å; F106-Y140 AromaticContact CD1-CE1 3.64Å; F106-Y140 HydrophobicContact CD1-CE1 3.64Å; F106-Y140 AromaticContact CD1-CE2 3.93Å; F106-Y140 HydrophobicContact CD1-CE2 3.93Å; F106-Y140 HydrophobicContact CD1-CG 4.18Å; F106-Y140 AromaticContact CD1-CZ 3.63Å; F106-Y140 HydrophobicContact CD2-CD1 4.06Å; F106-Y140 AromaticContact CD2-CD2 3.59Å; F106-Y140 HydrophobicContact CD2-CD2 3.59Å; F106-Y140 HydrophobicContact CD2-CE2 4.12Å; F106-Y140 AromaticContact CD2-CG 3.55Å; F106-Y140 HydrophobicContact CD2-CG 3.55Å; F106-Y140 AromaticContact CE1-CD1 3.67Å; F106-Y140 HydrophobicContact CE1-CD1 3.67Å; F106-Y140 AromaticContact CE1-CE1 3.62Å; F106-Y140 HydrophobicContact CE1-CE1 3.62Å; F106-Y140 HydrophobicContact CE1-CG 4.2Å; F106-Y140 AromaticContact CE2-CD1 3.81Å; F106-Y140 HydrophobicContact CE2-CD1 3.81Å; F106-Y140 HydrophobicContact CE2-CD2 4.12Å; F106-Y140 HydrophobicContact CE2-CE1 4.49Å; F106-Y140 AromaticContact CE2-CG 3.58Å; F106-Y140 HydrophobicContact CE2-CG 3.58Å; F106-Y140 HydrophobicContact CG-CD1 4.11Å; F106-Y140 AromaticContact CG-CD2 3.62Å; F106-Y140 HydrophobicContact CG-CD2 3.62Å; F106-Y140 HydrophobicContact CG-CE1 4.11Å; F106-Y140 AromaticContact CG-CE2 3.63Å; F106-Y140 HydrophobicContact CG-CE2 3.63Å; F106-Y140 AromaticContact CG-CG 3.87Å; F106-Y140 HydrophobicContact CG-CG 3.87Å; F106-Y140 AromaticContact CG-CZ 3.86Å; F106-Y140 AromaticContact CZ-CD1 3.6Å; F106-Y140 HydrophobicContact CZ-CD1 3.6Å; F106-Y140 HydrophobicContact CZ-CE1 4.06Å; F106-Y140 AromaticContact CZ-CG 3.9Å; F106-Y140 HydrophobicContact CZ-CG 3.9Å; F106-Y143 HydrophobicContact CZ-CD2 4.19Å; F106-V144 HydrophobicContact CE2-CG2 4.41Å; F106-Y170 HydrophobicContact CD1-CE2 4.13Å; F106-Y170 HydrophobicContact CE1-CE2 4.29Å
107P94.4Very high92.9Very high0 Ų09.7 Ų9.70%05%0.051CC..Hα-helixtrans-61.3-37.5179.823-33.4000112.1A103 L104 H111 Y170 I200A103-P107 WeakPolarHBondContact O-CD 3.04Å; L104-P107 WeakPolarHBondContact O-CD 3.4Å; L104-P107 WeakPolarHBondContact O-CG 3.47Å; P107-H111 WeakPolarHBondContact O-CB 3.31Å; P107-H111 PolarHBondContact O-CD2 2.86Å; P107-H111 PolarHBondContact O-N 3.42Å; P107-Y170 HydrophobicContact CB-CD1 3.82Å; P107-Y170 HydrophobicContact CB-CD2 3.96Å; P107-Y170 HydrophobicContact CB-CE1 4.27Å; P107-Y170 HydrophobicContact CB-CE2 4.41Å; P107-Y170 HydrophobicContact CB-CG 3.66Å; P107-Y170 HydrophobicContact CG-CD1 3.76Å; P107-Y170 HydrophobicContact CG-CE1 3.88Å; P107-Y170 HydrophobicContact CG-CG 4.14Å; P107-I200 HydrophobicContact CB-CD1 4.04Å; P107-I200 HydrophobicContact CB-CG1 4.32Å; P107-I200 HydrophobicContact CG-CD1 4.1Å
108L94.8Very high92.6Very high0 Ų013.2 Ų13.20%06%0.064CC..Hα-helixtrans-61.8-47.5174.5-71.9175000112.1Y82 F85 L104 F106 V110 L112 V192 V195 I196 I200Y82-L108 HydrophobicContact CD2-CB 4.37Å; Y82-L108 HydrophobicContact CE2-CB 4Å; F85-L108 HydrophobicContact CD1-CD1 3.63Å; F85-L108 HydrophobicContact CE1-CD1 3.39Å; F85-L108 HydrophobicContact CE2-CD1 4.4Å; F85-L108 HydrophobicContact CG-CD1 4.24Å; F85-L108 HydrophobicContact CZ-CD1 3.81Å; L104-L108 HydrophobicContact CB-CD1 4.16Å; L104-L108 VanDerWaalsContact O-CB 3.31Å; L104-L108 WeakPolarHBondContact O-CB 3.36Å; L104-L108 WeakPolarHBondContact O-CD1 2.86Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 2.8Å; L104-L108 VanDerWaalsContact O-N 3.14Å; F106-L108 VanDerWaalsContact C-N 3.27Å; F106-L108 PolarHBondContact O-N 2.95Å; L108-V110 PolarHBondContact O-N 3.35Å; L108-L112 WeakPolarHBondContact O-CB 3.28Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.21Å; L108-L112 PolarHBondContact O-N 3.41Å; L108-V192 HydrophobicContact CD1-CG1 3.85Å; L108-V192 HydrophobicContact CD2-CG1 3.9Å; L108-V195 HydrophobicContact CD2-CB 4.09Å; L108-V195 HydrophobicContact CD2-CG1 3.78Å; L108-I196 HydrophobicContact CD2-CD1 4.46Å; L108-I196 HydrophobicContact CD2-CG1 3.9Å; L108-I200 HydrophobicContact CD2-CD1 4.01Å; L108-I200 HydrophobicContact CG-CD1 4.25Å
109F94.8Very high92.2Very high1 Ų114.5 Ų14.50%0.0047%0.072CC..Hα-helixtrans-55.9-51.2177.6169.2-104.9000111.4Y82 L105 F106 C113 F128 V129 F132 Q136 V144Y82-F109 HydrophobicContact CE2-CB 3.95Å; L105-F109 VanDerWaalsContact O-CB 3.27Å; L105-F109 WeakPolarHBondContact O-CB 3.47Å; L105-F109 PolarHBondContact O-N 2.93Å; F106-F109 WeakPolarHBondContact O-CB 3.18Å; F106-F109 PolarHBondContact O-N 3.42Å; F109-C113 WeakPolarHBondContact O-CB 3.27Å; F109-C113 PolarHBondContact O-N 3.34Å; F109-C113 PolarHBondContact O-SG 2.84Å; F109-F128 HydrophobicContact CD2-CD1 4.2Å; F109-F128 AromaticContact CD2-CE1 3.53Å; F109-F128 HydrophobicContact CD2-CE1 3.53Å; F109-F128 HydrophobicContact CD2-CZ 4.32Å; F109-F128 HydrophobicContact CE2-CD1 4.01Å; F109-F128 AromaticContact CE2-CE1 3.82Å; F109-F128 HydrophobicContact CE2-CE1 3.82Å; F109-V129 HydrophobicContact CZ-CG2 4.36Å; F109-F132 HydrophobicContact CD2-CB 3.94Å; F109-F132 HydrophobicContact CE2-CB 3.89Å; F109-Q136 HydrophobicContact CD1-CG 4.02Å; F109-Q136 HydrophobicContact CE1-CG 4.22Å; F109-Q136 HydrophobicContact CG-CG 4.39Å; F109-V144 HydrophobicContact CE1-CG1 4.46Å; F109-V144 HydrophobicContact CE1-CG2 4.24Å
110V93.4Very high91.9Very high1 Ų116.5 Ų16.51%0.00610%0.096CC..Hα-helixtrans-68.9-42-175.4-179.80000112.1F106 L108 C113 I114 L147 L165F106-V110 HydrophobicContact CD2-CG2 3.94Å; F106-V110 HydrophobicContact CE1-CG2 4.22Å; F106-V110 HydrophobicContact CE2-CG2 3.46Å; F106-V110 VanDerWaalsContact CE2-CG2 3.46Å; F106-V110 HydrophobicContact CZ-CG2 3.63Å; F106-V110 WeakPolarHBondContact O-CG2 3.49Å; F106-V110 PolarHBondContact O-N 3.07Å; L108-V110 PolarHBondContact O-N 3.35Å; V110-C113 WeakPolarHBondContact O-CB 3.33Å; V110-C113 PolarHBondContact O-N 2.86Å; V110-I114 HydrophobicContact CG1-CD1 3.88Å; V110-I114 HydrophobicContact CG1-CG1 4.44Å; V110-I114 WeakPolarHBondContact O-CG1 3.35Å; V110-I114 PolarHBondContact O-N 3.1Å; V110-L147 HydrophobicContact CB-CD1 4.14Å; V110-L147 HydrophobicContact CG1-CD1 3.6Å; V110-L147 HydrophobicContact CG1-CD2 4.22Å; V110-L147 HydrophobicContact CG2-CD1 3.65Å; V110-L165 HydrophobicContact CB-CD1 4.49Å; V110-L165 HydrophobicContact CG1-CD1 3.41Å; V110-L165 VanDerWaalsContact CG1-CD1 3.41Å
111H93.3Very high91.5Very high1 Ų119.4 Ų19.41%0.00511%0.108CC..Hα-helixtrans-65.5-41.8178.9-79.2-68.5000112P107 I114 D115 L165 R166 V195 H199P107-H111 WeakPolarHBondContact O-CB 3.31Å; P107-H111 PolarHBondContact O-CD2 2.86Å; P107-H111 PolarHBondContact O-N 3.42Å; H111-I114 PolarHBondContact O-N 3.49Å; H111-D115 PolarHBondContact O-N 2.83Å; H111-L165 PolarHBondContact CE1-O 2.82Å; H111-R166 PolarHBondContact O-NH2 2.86Å; H111-V195 HydrophobicContact CB-CG1 3.54Å; H111-H199 VanDerWaalsContact CE1-CB 3.47Å; H111-H199 WeakPolarHBondContact CE1-CB 3.33Å; H111-H199 AromaticContact CE1-CG 3.45Å; H111-H199 VanDerWaalsContact CE1-CG 3.45Å; H111-H199 AromaticContact CE1-ND1 3.84Å; H111-H199 AromaticContact CG-CD2 3.94Å; H111-H199 AromaticContact CG-CG 3.98Å; H111-H199 AromaticContact ND1-CD2 3.54Å; H111-H199 AromaticContact ND1-CG 3.46Å; H111-H199 WeakPolarHBondContact NE2-CB 3.32Å; H111-H199 AromaticContact NE2-CG 3.94Å
112L92.5Very high91.2Very high3 Ų322 Ų222%0.01613%0.125CC..Hα-helixtrans-62.4-41.8174.2-71.6172.5000111.9Y82 L108 I114 D115 L116 F128 L191 V195Y82-L112 HydrophobicContact CD2-CD1 3.85Å; Y82-L112 HydrophobicContact CG-CD1 4.4Å; L108-L112 WeakPolarHBondContact O-CB 3.28Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.21Å; L108-L112 PolarHBondContact O-N 3.41Å; L112-I114 PolarHBondContact O-N 3.24Å; L112-D115 PolarHBondContact O-N 3.43Å; L112-L116 VanDerWaalsContact O-CG 3.31Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 3.19Å; L112-F128 HydrophobicContact CB-CE1 4.36Å; L112-F128 HydrophobicContact CB-CZ 4.26Å; L112-F128 HydrophobicContact CD1-CZ 4.14Å; L112-L191 HydrophobicContact CD2-CB 4.49Å; L112-V195 HydrophobicContact CD2-CG2 3.95Å; L112-V195 HydrophobicContact CG-CG2 4.38Å
113C91.8Very high91Very high0 Ų024.5 Ų24.50%014%0.142CC..Hα-helixtrans-55.6-48.2173.2-82.90000112.4F109 V110 D115 L116 L117 F125 F128F109-C113 WeakPolarHBondContact O-CB 3.27Å; F109-C113 PolarHBondContact O-N 3.34Å; F109-C113 PolarHBondContact O-SG 2.84Å; V110-C113 WeakPolarHBondContact O-CB 3.33Å; V110-C113 PolarHBondContact O-N 2.86Å; C113-D115 VanDerWaalsContact C-N 3.34Å; C113-D115 PolarHBondContact O-N 3.39Å; C113-L116 PolarHBondContact O-N 2.89Å; C113-L117 PolarHBondContact O-N 2.89Å; C113-F125 HydrophobicContact CB-CD2 4.16Å; C113-F125 HydrophobicContact CB-CE2 3.81Å; C113-F125 WeakPolarHBondContact O-CD2 3.46Å; C113-F128 VanDerWaalsContact SG-CD1 3.56Å
114I90.8Very high90.9Very high1 Ų125.2 Ų25.21%0.00515%0.145CC..Hα-helixtrans-62.9-42177.6-65.9161.3000110.7V110 H111 L112 L117 R118 L156 V162 L165 R166V110-I114 HydrophobicContact CG1-CD1 3.88Å; V110-I114 HydrophobicContact CG1-CG1 4.44Å; V110-I114 WeakPolarHBondContact O-CG1 3.35Å; V110-I114 PolarHBondContact O-N 3.1Å; H111-I114 PolarHBondContact O-N 3.49Å; L112-I114 PolarHBondContact O-N 3.24Å; I114-L117 PolarHBondContact O-N 2.94Å; I114-R118 VanDerWaalsContact O-CB 3.31Å; I114-R118 WeakPolarHBondContact O-CB 3.21Å; I114-R118 PolarHBondContact O-N 3.09Å; I114-L156 HydrophobicContact CG1-CD2 4.25Å; I114-L156 HydrophobicContact CG2-CD1 4.4Å; I114-L156 HydrophobicContact CG2-CD2 4.25Å; I114-V162 HydrophobicContact CD1-CG1 4.08Å; I114-V162 HydrophobicContact CD1-CG2 4.33Å; I114-V162 HydrophobicContact CG1-CG1 4.23Å; I114-V162 HydrophobicContact CG1-CG2 4.28Å; I114-V162 HydrophobicContact CG2-CG1 4.16Å; I114-L165 HydrophobicContact CD1-CD1 4.36Å; I114-R166 HydrophobicContact CD1-CG 4.43Å; I114-R166 HydrophobicContact CG2-CG 4.44Å
115D90.4Very high90.8Very high0 Ų025.4 Ų25.40%015%0.146CC..Hα-helixtrans-63.7-44.2177.6-68.8-28000111.6T67 Y69 L75 H111 L112 C113 L117 R118 F119 R166T67-D115 WeakPolarHBondContact CG2-OD2 3.36Å; T67-D115 PolarHBondContact OG1-OD1 3.3Å; T67-D115 VanDerWaalsContact OG1-OD1 3.05Å; T67-D115 PolarHBondContact OG1-OD2 2.96Å; Y69-D115 HydrophobicContact CE2-CB 4.31Å; Y69-D115 PolarHBondContact OH-OD2 2.88Å; L75-D115 HydrophobicContact CD1-CB 4.45Å; L75-D115 HydrophobicContact CD2-CB 4.28Å; H111-D115 PolarHBondContact O-N 2.83Å; L112-D115 PolarHBondContact O-N 3.43Å; C113-D115 VanDerWaalsContact C-N 3.34Å; C113-D115 PolarHBondContact O-N 3.39Å; D115-L117 VanDerWaalsContact C-N 3.32Å; D115-L117 PolarHBondContact O-N 3.24Å; D115-R118 PolarHBondContact O-N 3.11Å; D115-R118 VanDerWaalsContact O-N 3.13Å; D115-F119 HydrophobicContact CB-CD2 4.12Å; D115-F119 HydrophobicContact CB-CE2 4.26Å; D115-F119 WeakPolarHBondContact O-CB 3.31Å; D115-F119 WeakPolarHBondContact O-CD2 3.45Å; D115-F119 PolarHBondContact O-N 3.35Å; D115-R166 VanDerWaalsContact CG-NH2 3.25Å; D115-R166 IonicContact OD1-CZ 3.89Å; D115-R166 VanDerWaalsContact OD1-CZ 3.31Å; D115-R166 IonicContact OD1-NH1 3.63Å; D115-R166 PolarHBondContact OD1-NH1 3.29Å; D115-R166 VanDerWaalsContact OD1-NH1 3.14Å; D115-R166 IonicContact OD1-NH2 2.77Å; D115-R166 PolarHBondContact OD1-NH2 3.42Å; D115-R166 IonicContact OD2-NH2 3.57Å
116L90Very high90.6Very high0 Ų030.6 Ų30.60%016%0.164CC..Hα-helixtrans-58.1-43.4179.5-74.7169.3000112.6L75 L112 C113 K121 V124 F125 F128L75-L116 HydrophobicContact CD2-CD2 3.83Å; L75-L116 HydrophobicContact CD2-CG 4.34Å; L75-L116 HydrophobicContact CG-CD2 4.07Å; L112-L116 VanDerWaalsContact O-CG 3.31Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 3.19Å; C113-L116 PolarHBondContact O-N 2.89Å; L116-K121 HydrophobicContact CD2-CB 4.45Å; L116-K121 WeakPolarHBondContact O-CA 3.31Å; L116-K121 PolarHBondContact O-N 3.22Å; L116-V124 HydrophobicContact CD1-CG1 4.45Å; L116-V124 HydrophobicContact CD2-CB 4.28Å; L116-V124 HydrophobicContact CD2-CG1 3.7Å; L116-F125 HydrophobicContact CB-CB 3.98Å; L116-F128 HydrophobicContact CD1-CB 4Å; L116-F128 HydrophobicContact CD1-CD1 4.21Å; L116-F128 HydrophobicContact CD1-CD2 4.4Å; L116-F128 HydrophobicContact CD1-CG 3.96Å
117L88.4Confident90.5Very high8 Ų834.3 Ų34.34%0.04219%0.187CC..Hα-helixtrans-67.2-42.5175.1-79.2175.4000111.7C113 I114 D115 G120 P122 F125 M150 L156C113-L117 PolarHBondContact O-N 2.89Å; I114-L117 PolarHBondContact O-N 2.94Å; D115-L117 VanDerWaalsContact C-N 3.32Å; D115-L117 PolarHBondContact O-N 3.24Å; L117-G120 PolarHBondContact O-N 3.4Å; L117-P122 HydrophobicContact CD2-CB 4.31Å; L117-F125 HydrophobicContact CD1-CD1 4.2Å; L117-F125 HydrophobicContact CD1-CD2 3.99Å; L117-F125 HydrophobicContact CD1-CE1 3.92Å; L117-F125 HydrophobicContact CD1-CE2 3.67Å; L117-F125 HydrophobicContact CD1-CG 4.24Å; L117-F125 HydrophobicContact CD1-CZ 3.63Å; L117-F125 HydrophobicContact CD2-CB 4.18Å; L117-F125 HydrophobicContact CD2-CD1 3.61Å; L117-F125 HydrophobicContact CD2-CD2 4.31Å; L117-F125 HydrophobicContact CD2-CE1 4.03Å; L117-F125 HydrophobicContact CD2-CG 3.76Å; L117-F125 HydrophobicContact CG-CB 4.24Å; L117-F125 HydrophobicContact CG-CD1 3.88Å; L117-F125 HydrophobicContact CG-CD2 3.67Å; L117-F125 HydrophobicContact CG-CE1 4.13Å; L117-F125 HydrophobicContact CG-CE2 3.91Å; L117-F125 HydrophobicContact CG-CG 3.64Å; L117-F125 HydrophobicContact CG-CZ 4.13Å; L117-M150 HydrophobicContact CD1-CB 3.93Å; L117-L156 HydrophobicContact CB-CD1 3.58Å; L117-L156 HydrophobicContact CB-CD2 4.44Å; L117-L156 HydrophobicContact CB-CG 4.16Å; L117-L156 HydrophobicContact CD1-CD1 4.44Å; L117-L156 HydrophobicContact CD1-CD2 3.88Å; L117-L156 HydrophobicContact CD1-CG 4.11Å
118R86.9Confident90.4Very high80 Ų8034.3 Ų34.330%0.30219%0.187SC..Hα-helixtrans-68.6-36.6-178.1-169.6176.5-178.7-166.63.4113.8D66 I114 D115 G120 I153 L156D66-R118 VanDerWaalsContact CG-CZ 3.5Å; D66-R118 IonicContact OD1-CZ 3.41Å; D66-R118 IonicContact OD1-NH1 2.64Å; D66-R118 PolarHBondContact OD1-NH1 3.37Å; D66-R118 IonicContact OD1-NH2 3.79Å; D66-R118 PolarHBondContact OD1-NH2 3.02Å; D66-R118 IonicContact OD2-CZ 3.86Å; D66-R118 IonicContact OD2-NH1 3.79Å; D66-R118 PolarHBondContact OD2-NH1 3.44Å; D66-R118 IonicContact OD2-NH2 3.57Å; D66-R118 PolarHBondContact OD2-NH2 2.9Å; I114-R118 VanDerWaalsContact O-CB 3.31Å; I114-R118 WeakPolarHBondContact O-CB 3.21Å; I114-R118 PolarHBondContact O-N 3.09Å; D115-R118 PolarHBondContact O-N 3.11Å; D115-R118 VanDerWaalsContact O-N 3.13Å; R118-G120 PolarHBondContact O-N 3.41Å; R118-I153 HydrophobicContact CG-CD1 4.26Å; R118-L156 HydrophobicContact CB-CD1 4.26Å
119F86Confident90.3Very high115 Ų11534.6 Ų34.650%0.50419%0.189SC..THydrogen-bonded Turntrans-8112.4174.7-73.4-74.1000113.1Y69 L75 D115Y69-F119 AromaticContact CD2-CE2 3.89Å; Y69-F119 HydrophobicContact CD2-CE2 3.89Å; Y69-F119 HydrophobicContact CD2-CZ 4.02Å; Y69-F119 AromaticContact CE2-CE2 3.8Å; Y69-F119 HydrophobicContact CE2-CE2 3.8Å; Y69-F119 HydrophobicContact CE2-CZ 4.39Å; L75-F119 HydrophobicContact CD2-CB 3.87Å; L75-F119 HydrophobicContact CD2-CD2 3.6Å; L75-F119 HydrophobicContact CD2-CG 4.02Å; D115-F119 HydrophobicContact CB-CD2 4.12Å; D115-F119 HydrophobicContact CB-CE2 4.26Å; D115-F119 WeakPolarHBondContact O-CB 3.31Å; D115-F119 WeakPolarHBondContact O-CD2 3.45Å; D115-F119 PolarHBondContact O-N 3.35Å
120G84.8Confident90.1Very high58 Ų5840.6 Ų40.660%0.59822%0.221SC*.THydrogen-bonded Turntrans72.729.9171.900000114.5L117 R118 P122L117-G120 PolarHBondContact O-N 3.4Å; R118-G120 PolarHBondContact O-N 3.41Å; G120-P122 WeakPolarHBondContact O-CD 3.47Å
121K87Confident90.1Very high62 Ų6246.4 Ų46.427%0.2724%0.243SC..  trans-112.360.3178.5-62.2-175.7177.2-179.50112.5D74 L116 S123 V124 F125D74-K121 IonicContact OD1-NZ 2.83Å; L116-K121 HydrophobicContact CD2-CB 4.45Å; L116-K121 WeakPolarHBondContact O-CA 3.31Å; L116-K121 PolarHBondContact O-N 3.22Å; K121-S123 PolarHBondContact O-N 3.35Å; K121-V124 HydrophobicContact CB-CB 4.09Å; K121-V124 HydrophobicContact CB-CG2 4.08Å; K121-V124 PolarHBondContact O-N 3.47Å; K121-F125 PolarHBondContact O-N 3.4Å
122P87.9Confident90.2Very high54 Ų5446.5 Ų46.535%0.35124%0.243SC..Hα-helixtrans-68.2-27.3-173.428.5-36.3000114.3L117 G120 F125 R126L117-P122 HydrophobicContact CD2-CB 4.31Å; G120-P122 WeakPolarHBondContact O-CD 3.47Å; P122-F125 WeakPolarHBondContact O-CB 3.37Å; P122-R126 WeakPolarHBondContact O-CG 3.38Å; P122-R126 PolarHBondContact O-N 3.18Å
123S88.1Confident90.1Very high83 Ų8348.2 Ų48.258%0.5826%0.255SS*.Hα-helixtrans-68.5-43.1175.952.30000112.2K121 R126 T127K121-S123 PolarHBondContact O-N 3.35Å; S123-R126 PolarHBondContact O-N 3.16Å; S123-T127 PolarHBondContact O-N 3.22Å; S123-T127 PolarHBondContact O-OG1 3.37Å
124V90.7Very high90.1Very high38 Ų3852.5 Ų52.523%0.2329%0.29CS..Hα-helixtrans-63.8-45.6174.7-176.10000109.3F79 L116 K121 R126 T127 F128F79-V124 HydrophobicContact CD2-CG1 4.24Å; F79-V124 HydrophobicContact CE2-CG1 3.56Å; L116-V124 HydrophobicContact CD1-CG1 4.45Å; L116-V124 HydrophobicContact CD2-CB 4.28Å; L116-V124 HydrophobicContact CD2-CG1 3.7Å; K121-V124 HydrophobicContact CB-CB 4.09Å; K121-V124 HydrophobicContact CB-CG2 4.08Å; K121-V124 PolarHBondContact O-N 3.47Å; V124-R126 PolarHBondContact O-N 2.69Å; V124-T127 PolarHBondContact O-N 2.94Å; V124-F128 VanDerWaalsContact O-CB 3.29Å; V124-F128 WeakPolarHBondContact O-CB 3.26Å; V124-F128 PolarHBondContact O-N 3.05Å
125F91.3Very high90.1Very high4 Ų457.6 Ų57.62%0.01831%0.314CS..Hα-helixtrans-53.1-52.6174.2166.3-100.3000113C113 L116 L117 K121 P122 T127 F128 V129 L147 M150C113-F125 HydrophobicContact CB-CD2 4.16Å; C113-F125 HydrophobicContact CB-CE2 3.81Å; C113-F125 WeakPolarHBondContact O-CD2 3.46Å; L116-F125 HydrophobicContact CB-CB 3.98Å; L117-F125 HydrophobicContact CD1-CD1 4.2Å; L117-F125 HydrophobicContact CD1-CD2 3.99Å; L117-F125 HydrophobicContact CD1-CE1 3.92Å; L117-F125 HydrophobicContact CD1-CE2 3.67Å; L117-F125 HydrophobicContact CD1-CG 4.24Å; L117-F125 HydrophobicContact CD1-CZ 3.63Å; L117-F125 HydrophobicContact CD2-CB 4.18Å; L117-F125 HydrophobicContact CD2-CD1 3.61Å; L117-F125 HydrophobicContact CD2-CD2 4.31Å; L117-F125 HydrophobicContact CD2-CE1 4.03Å; L117-F125 HydrophobicContact CD2-CG 3.76Å; L117-F125 HydrophobicContact CG-CB 4.24Å; L117-F125 HydrophobicContact CG-CD1 3.88Å; L117-F125 HydrophobicContact CG-CD2 3.67Å; L117-F125 HydrophobicContact CG-CE1 4.13Å; L117-F125 HydrophobicContact CG-CE2 3.91Å; L117-F125 HydrophobicContact CG-CG 3.64Å; L117-F125 HydrophobicContact CG-CZ 4.13Å; K121-F125 PolarHBondContact O-N 3.4Å; P122-F125 WeakPolarHBondContact O-CB 3.37Å; F125-T127 VanDerWaalsContact C-N 3.35Å; F125-T127 PolarHBondContact O-N 3.29Å; F125-F128 WeakPolarHBondContact O-CB 3.25Å; F125-F128 PolarHBondContact O-N 2.95Å; F125-F128 VanDerWaalsContact O-N 3.08Å; F125-V129 HydrophobicContact CD2-CG2 3.99Å; F125-V129 HydrophobicContact CE1-CG2 4.24Å; F125-V129 HydrophobicContact CE2-CG2 3.52Å; F125-V129 HydrophobicContact CZ-CG2 3.66Å; F125-V129 WeakPolarHBondContact O-CG2 3.38Å; F125-V129 PolarHBondContact O-N 3.48Å; F125-L147 WeakPolarHBondContact CZ-O 3.47Å; F125-M150 WeakPolarHBondContact CE1-O 3.37Å
126R90.6Very high90.2Very high128 Ų12858.4 Ų58.448%0.48332%0.318SS..Hα-helixtrans-59-47.9-179.3-73.9-177.5-172.1163.65.8111.8P122 S123 V124 F128 V129 D130P122-R126 WeakPolarHBondContact O-CG 3.38Å; P122-R126 PolarHBondContact O-N 3.18Å; S123-R126 PolarHBondContact O-N 3.16Å; V124-R126 PolarHBondContact O-N 2.69Å; R126-F128 PolarHBondContact O-N 2.9Å; R126-V129 PolarHBondContact O-N 2.91Å; R126-D130 WeakPolarHBondContact O-CB 3.4Å; R126-D130 PolarHBondContact O-N 2.82Å
127T91.8Very high90.1Very high83 Ų8361.8 Ų61.851%0.50933%0.334SS..Hα-helixtrans-61.9-33.2178.4-49.20000111.5F79 S123 V124 F125 R131F79-T127 HydrophobicContact CE1-CG2 4.18Å; F79-T127 HydrophobicContact CZ-CG2 3.84Å; S123-T127 PolarHBondContact O-N 3.22Å; S123-T127 PolarHBondContact O-OG1 3.37Å; V124-T127 PolarHBondContact O-N 2.94Å; F125-T127 VanDerWaalsContact C-N 3.35Å; F125-T127 PolarHBondContact O-N 3.29Å; T127-R131 WeakPolarHBondContact O-CB 3.38Å; T127-R131 PolarHBondContact O-N 3.37Å
128F92.8Very high90.2Very high0 Ų066.8 Ų66.80%037%0.367CS..Hα-helixtrans-71.7-45178.9-174.1-92.2000111.5F79 Y82 F109 L112 C113 L116 V124 F125 R126 R131 F132F79-F128 AromaticContact CD1-CD2 3.99Å; F79-F128 HydrophobicContact CD1-CD2 3.99Å; F79-F128 HydrophobicContact CD2-CD2 4.42Å; F79-F128 VanDerWaalsContact CE1-CA 3.49Å; F79-F128 HydrophobicContact CE1-CB 3.93Å; F79-F128 AromaticContact CE1-CD2 3.96Å; F79-F128 HydrophobicContact CE1-CD2 3.96Å; F79-F128 HydrophobicContact CE1-CG 4.4Å; F79-F128 HydrophobicContact CE2-CB 4.22Å; F79-F128 HydrophobicContact CE2-CD2 4.39Å; F79-F128 HydrophobicContact CG-CD2 4.23Å; F79-F128 VanDerWaalsContact CZ-CA 3.46Å; F79-F128 HydrophobicContact CZ-CB 3.61Å; F79-F128 HydrophobicContact CZ-CD2 4.16Å; F79-F128 HydrophobicContact CZ-CG 4.4Å; F79-F128 VanDerWaalsContact CZ-N 3.31Å; Y82-F128 HydrophobicContact CD1-CE2 4.38Å; Y82-F128 HydrophobicContact CD1-CZ 4.09Å; Y82-F128 HydrophobicContact CD2-CZ 4.22Å; Y82-F128 HydrophobicContact CG-CE2 4.19Å; Y82-F128 AromaticContact CG-CZ 3.84Å; Y82-F128 HydrophobicContact CG-CZ 3.84Å; F109-F128 HydrophobicContact CD2-CD1 4.2Å; F109-F128 AromaticContact CD2-CE1 3.53Å; F109-F128 HydrophobicContact CD2-CE1 3.53Å; F109-F128 HydrophobicContact CD2-CZ 4.32Å; F109-F128 HydrophobicContact CE2-CD1 4.01Å; F109-F128 AromaticContact CE2-CE1 3.82Å; F109-F128 HydrophobicContact CE2-CE1 3.82Å; L112-F128 HydrophobicContact CB-CE1 4.36Å; L112-F128 HydrophobicContact CB-CZ 4.26Å; L112-F128 HydrophobicContact CD1-CZ 4.14Å; C113-F128 VanDerWaalsContact SG-CD1 3.56Å; L116-F128 HydrophobicContact CD1-CB 4Å; L116-F128 HydrophobicContact CD1-CD1 4.21Å; L116-F128 HydrophobicContact CD1-CD2 4.4Å; L116-F128 HydrophobicContact CD1-CG 3.96Å; V124-F128 VanDerWaalsContact O-CB 3.29Å; V124-F128 WeakPolarHBondContact O-CB 3.26Å; V124-F128 PolarHBondContact O-N 3.05Å; F125-F128 WeakPolarHBondContact O-CB 3.25Å; F125-F128 PolarHBondContact O-N 2.95Å; F125-F128 VanDerWaalsContact O-N 3.08Å; R126-F128 PolarHBondContact O-N 2.9Å; F128-R131 PolarHBondContact O-N 2.82Å; F128-F132 HydrophobicContact CD1-CD2 4.33Å; F128-F132 AromaticContact CD2-CD2 3.66Å; F128-F132 HydrophobicContact CD2-CD2 3.66Å; F128-F132 AromaticContact CD2-CE2 3.67Å; F128-F132 HydrophobicContact CD2-CE2 3.67Å; F128-F132 HydrophobicContact CE1-CD2 4.26Å; F128-F132 AromaticContact CE2-CD2 3.55Å; F128-F132 HydrophobicContact CE2-CD2 3.55Å; F128-F132 AromaticContact CE2-CE2 3.54Å; F128-F132 HydrophobicContact CE2-CE2 3.54Å; F128-F132 HydrophobicContact CG-CD2 4.05Å; F128-F132 HydrophobicContact CG-CE2 4.47Å; F128-F132 AromaticContact CZ-CD2 3.87Å; F128-F132 HydrophobicContact CZ-CD2 3.87Å; F128-F132 HydrophobicContact CZ-CE2 4.27Å; F128-F132 WeakPolarHBondContact O-CD2 3.49Å; F128-F132 PolarHBondContact O-N 2.86Å
129V92.7Very high90.2Very high6 Ų664.7 Ų64.74%0.03636%0.36CS..Hα-helixtrans-62.9-47.5174.9174.30000110.8F109 F125 R126 R131 F132 S133 A148F109-V129 HydrophobicContact CZ-CG2 4.36Å; F125-V129 HydrophobicContact CD2-CG2 3.99Å; F125-V129 HydrophobicContact CE1-CG2 4.24Å; F125-V129 HydrophobicContact CE2-CG2 3.52Å; F125-V129 HydrophobicContact CZ-CG2 3.66Å; F125-V129 WeakPolarHBondContact O-CG2 3.38Å; F125-V129 PolarHBondContact O-N 3.48Å; R126-V129 PolarHBondContact O-N 2.91Å; V129-R131 PolarHBondContact O-N 2.76Å; V129-F132 PolarHBondContact O-N 3.31Å; V129-S133 WeakPolarHBondContact O-CB 3.45Å; V129-S133 PolarHBondContact O-N 3.14Å; V129-S133 PolarHBondContact O-OG 3.37Å; V129-A148 HydrophobicContact CG1-CB 3.92Å
130D92Very high90.5Very high127 Ų12759.7 Ų59.768%0.67934%0.338SS*.Hα-helixtrans-60.1-35.1-179.6-68.6-20.9000112R126R126-D130 WeakPolarHBondContact O-CB 3.4Å; R126-D130 PolarHBondContact O-N 2.82Å
131R93.2Very high90.7Very high124 Ų12458.7 Ų58.747%0.46833%0.327SS..Hα-helixtrans-78-42.8-180-176.8173172.3176-5.9113.7D83 T127 F128 V129D83-R131 IonicContact OD1-CZ 3.77Å; D83-R131 IonicContact OD1-NH2 3.52Å; D83-R131 PolarHBondContact OD1-NH2 2.76Å; D83-R131 IonicContact OD2-NH2 2.75Å; D83-R131 PolarHBondContact OD2-NH2 3.29Å; T127-R131 WeakPolarHBondContact O-CB 3.38Å; T127-R131 PolarHBondContact O-N 3.37Å; F128-R131 PolarHBondContact O-N 2.82Å; V129-R131 PolarHBondContact O-N 2.76Å
132F94.2Very high90.7Very high3 Ų360.8 Ų60.81%0.01334%0.338CS..Hα-helixtrans-109.7-3.1-168.3-61.5-64.6000114.9F79 Y82 D83 L86 F109 F128 V129 E135 Q136F79-F132 AromaticContact CD1-CE2 3.76Å; F79-F132 HydrophobicContact CD1-CE2 3.76Å; F79-F132 HydrophobicContact CD1-CZ 4.42Å; F79-F132 HydrophobicContact CE1-CE2 4.24Å; Y82-F132 HydrophobicContact CD1-CB 4.41Å; Y82-F132 AromaticContact CD1-CD1 3.71Å; Y82-F132 HydrophobicContact CD1-CD1 3.71Å; Y82-F132 AromaticContact CD1-CD2 3.84Å; Y82-F132 HydrophobicContact CD1-CD2 3.84Å; Y82-F132 AromaticContact CD1-CE1 3.8Å; Y82-F132 HydrophobicContact CD1-CE1 3.8Å; Y82-F132 AromaticContact CD1-CE2 3.93Å; Y82-F132 HydrophobicContact CD1-CE2 3.93Å; Y82-F132 AromaticContact CD1-CG 3.73Å; Y82-F132 HydrophobicContact CD1-CG 3.73Å; Y82-F132 AromaticContact CD1-CZ 3.91Å; Y82-F132 HydrophobicContact CD1-CZ 3.91Å; Y82-F132 HydrophobicContact CE1-CB 3.92Å; Y82-F132 AromaticContact CE1-CD1 3.68Å; Y82-F132 HydrophobicContact CE1-CD1 3.68Å; Y82-F132 HydrophobicContact CE1-CD2 4.23Å; Y82-F132 HydrophobicContact CE1-CE1 4.21Å; Y82-F132 AromaticContact CE1-CG 3.69Å; Y82-F132 HydrophobicContact CE1-CG 3.69Å; D83-F132 HydrophobicContact CB-CE1 4.36Å; D83-F132 HydrophobicContact CB-CZ 4.05Å; L86-F132 HydrophobicContact CD2-CD1 4.09Å; L86-F132 HydrophobicContact CD2-CE1 4.16Å; F109-F132 HydrophobicContact CD2-CB 3.94Å; F109-F132 HydrophobicContact CE2-CB 3.89Å; F128-F132 HydrophobicContact CD1-CD2 4.33Å; F128-F132 AromaticContact CD2-CD2 3.66Å; F128-F132 HydrophobicContact CD2-CD2 3.66Å; F128-F132 AromaticContact CD2-CE2 3.67Å; F128-F132 HydrophobicContact CD2-CE2 3.67Å; F128-F132 HydrophobicContact CE1-CD2 4.26Å; F128-F132 AromaticContact CE2-CD2 3.55Å; F128-F132 HydrophobicContact CE2-CD2 3.55Å; F128-F132 AromaticContact CE2-CE2 3.54Å; F128-F132 HydrophobicContact CE2-CE2 3.54Å; F128-F132 HydrophobicContact CG-CD2 4.05Å; F128-F132 HydrophobicContact CG-CE2 4.47Å; F128-F132 AromaticContact CZ-CD2 3.87Å; F128-F132 HydrophobicContact CZ-CD2 3.87Å; F128-F132 HydrophobicContact CZ-CE2 4.27Å; F128-F132 WeakPolarHBondContact O-CD2 3.49Å; F128-F132 PolarHBondContact O-N 2.86Å; V129-F132 PolarHBondContact O-N 3.31Å; F132-E135 PolarHBondContact O-N 3.47Å; F132-Q136 PolarHBondContact O-NE2 3.4Å
133S91.5Very high90.8Very high38 Ų3859 Ų5927%0.26632%0.324SS..SBendtrans-62.5-40.7177.851.70000113.1V129 E135 Q136V129-S133 WeakPolarHBondContact O-CB 3.45Å; V129-S133 PolarHBondContact O-N 3.14Å; V129-S133 PolarHBondContact O-OG 3.37Å; S133-E135 VanDerWaalsContact C-N 3.26Å; S133-E135 PolarHBondContact O-N 2.92Å; S133-Q136 PolarHBondContact O-N 3.16Å
134A91.6Very high90.9Very high90 Ų9055.7 Ų55.774%0.74430%0.301SS*.THydrogen-bonded Turntrans-70.2-20.1-179.100000113.8Q136A134-Q136 VanDerWaalsContact C-N 3.28Å
135E90.2Very high91Very high108 Ų10855.7 Ų55.751%0.50531%0.305SS..THydrogen-bonded Turntrans-78.9-12.8177.3-62.8-66154.100112.4L86 F132 S133L86-E135 HydrophobicContact CD2-CB 4.48Å; L86-E135 HydrophobicContact CD2-CG 4.06Å; F132-E135 PolarHBondContact O-N 3.47Å; S133-E135 VanDerWaalsContact C-N 3.26Å; S133-E135 PolarHBondContact O-N 2.92Å
136Q92.1Very high90.8Very high18 Ų1858 Ų588%0.08432%0.317CS..SBendtrans-78.1152-179.8-51.7-49.2-49.800111.3Y82 F109 F132 S133 A134 V144Y82-Q136 PolarHBondContact OH-NE2 3.14Å; Y82-Q136 VanDerWaalsContact OH-NE2 3.07Å; F109-Q136 HydrophobicContact CD1-CG 4.02Å; F109-Q136 HydrophobicContact CE1-CG 4.22Å; F109-Q136 HydrophobicContact CG-CG 4.39Å; F132-Q136 PolarHBondContact O-NE2 3.4Å; S133-Q136 PolarHBondContact O-N 3.16Å; A134-Q136 VanDerWaalsContact C-N 3.28Å; Q136-V144 HydrophobicContact CB-CG2 4.2Å; Q136-V144 HydrophobicContact CG-CG2 4.16Å
137Q88.8Confident90.7Very high71 Ų7152 Ų5233%0.33230%0.295SS..  trans-61.9140.4178.1-64.2-65.5-39.700111.2F139 Y140Q137-F139 HydrophobicContact CB-CD1 3.97Å; Q137-F139 HydrophobicContact CB-CD2 4.37Å; Q137-F139 HydrophobicContact CB-CE1 3.5Å; Q137-F139 HydrophobicContact CB-CE2 3.97Å; Q137-F139 HydrophobicContact CB-CG 4.38Å; Q137-F139 HydrophobicContact CB-CZ 3.5Å; Q137-F139 VanDerWaalsContact CB-CZ 3.5Å; Q137-F139 HydrophobicContact CG-CE1 3.99Å; Q137-F139 HydrophobicContact CG-CZ 3.8Å; Q137-F139 PolarHBondContact O-N 3.4Å; Q137-F139 VanDerWaalsContact O-N 3.08Å; Q137-Y140 HydrophobicContact CB-CD2 3.87Å; Q137-Y140 HydrophobicContact CB-CE2 4.21Å; Q137-Y140 PolarHBondContact O-N 2.96Å
138P89.1Confident90.7Very high113 Ų11350.6 Ų50.673%0.73429%0.291SS*.G310 helixtrans-56.3-32.7-173.8-2834.4000114.6Y140 G141P138-Y140 PolarHBondContact O-N 2.83Å; P138-G141 PolarHBondContact O-N 2.88Å
139F88.4Confident90.5Very high36 Ų3658.5 Ų58.516%0.15832%0.321CS..G310 helixtrans-70-9.617953.3-101.4000114.3Q137 S219 R488 K508Q137-F139 HydrophobicContact CB-CD1 3.97Å; Q137-F139 HydrophobicContact CB-CD2 4.37Å; Q137-F139 HydrophobicContact CB-CE1 3.5Å; Q137-F139 HydrophobicContact CB-CE2 3.97Å; Q137-F139 HydrophobicContact CB-CG 4.38Å; Q137-F139 HydrophobicContact CB-CZ 3.5Å; Q137-F139 VanDerWaalsContact CB-CZ 3.5Å; Q137-F139 HydrophobicContact CG-CE1 3.99Å; Q137-F139 HydrophobicContact CG-CZ 3.8Å; Q137-F139 PolarHBondContact O-N 3.4Å; Q137-F139 VanDerWaalsContact O-N 3.08Å; F139-S219 VanDerWaalsContact CZ-OG 3.25Å; F139-S219 WeakPolarHBondContact CZ-OG 3.26Å; F139-R488 PolarHBondContact O-NH1 3.29Å; F139-K508 HydrophobicContact CB-CB 3.93Å; F139-K508 HydrophobicContact CB-CD 3.7Å; F139-K508 HydrophobicContact CB-CG 4.04Å; F139-K508 HydrophobicContact CD1-CD 4.14Å; F139-K508 HydrophobicContact CD2-CD 4.1Å; F139-K508 HydrophobicContact CG-CD 3.74Å
140Y90.8Very high90.4Very high10 Ų1058.8 Ų58.84%0.03932%0.322CS..G310 helixtrans-91.81.1168.4-63.4-56.9000113F106 Q137 P138 E142 Y143 V144 Y170F106-Y140 HydrophobicContact CB-CD2 3.94Å; F106-Y140 HydrophobicContact CB-CE2 3.7Å; F106-Y140 AromaticContact CD1-CD1 3.94Å; F106-Y140 HydrophobicContact CD1-CD1 3.94Å; F106-Y140 HydrophobicContact CD1-CD2 4.18Å; F106-Y140 AromaticContact CD1-CE1 3.64Å; F106-Y140 HydrophobicContact CD1-CE1 3.64Å; F106-Y140 AromaticContact CD1-CE2 3.93Å; F106-Y140 HydrophobicContact CD1-CE2 3.93Å; F106-Y140 HydrophobicContact CD1-CG 4.18Å; F106-Y140 AromaticContact CD1-CZ 3.63Å; F106-Y140 HydrophobicContact CD2-CD1 4.06Å; F106-Y140 AromaticContact CD2-CD2 3.59Å; F106-Y140 HydrophobicContact CD2-CD2 3.59Å; F106-Y140 HydrophobicContact CD2-CE2 4.12Å; F106-Y140 AromaticContact CD2-CG 3.55Å; F106-Y140 HydrophobicContact CD2-CG 3.55Å; F106-Y140 AromaticContact CE1-CD1 3.67Å; F106-Y140 HydrophobicContact CE1-CD1 3.67Å; F106-Y140 AromaticContact CE1-CE1 3.62Å; F106-Y140 HydrophobicContact CE1-CE1 3.62Å; F106-Y140 HydrophobicContact CE1-CG 4.2Å; F106-Y140 AromaticContact CE2-CD1 3.81Å; F106-Y140 HydrophobicContact CE2-CD1 3.81Å; F106-Y140 HydrophobicContact CE2-CD2 4.12Å; F106-Y140 HydrophobicContact CE2-CE1 4.49Å; F106-Y140 AromaticContact CE2-CG 3.58Å; F106-Y140 HydrophobicContact CE2-CG 3.58Å; F106-Y140 HydrophobicContact CG-CD1 4.11Å; F106-Y140 AromaticContact CG-CD2 3.62Å; F106-Y140 HydrophobicContact CG-CD2 3.62Å; F106-Y140 HydrophobicContact CG-CE1 4.11Å; F106-Y140 AromaticContact CG-CE2 3.63Å; F106-Y140 HydrophobicContact CG-CE2 3.63Å; F106-Y140 AromaticContact CG-CG 3.87Å; F106-Y140 HydrophobicContact CG-CG 3.87Å; F106-Y140 AromaticContact CG-CZ 3.86Å; F106-Y140 AromaticContact CZ-CD1 3.6Å; F106-Y140 HydrophobicContact CZ-CD1 3.6Å; F106-Y140 HydrophobicContact CZ-CE1 4.06Å; F106-Y140 AromaticContact CZ-CG 3.9Å; F106-Y140 HydrophobicContact CZ-CG 3.9Å; Q137-Y140 HydrophobicContact CB-CD2 3.87Å; Q137-Y140 HydrophobicContact CB-CE2 4.21Å; Q137-Y140 PolarHBondContact O-N 2.96Å; P138-Y140 PolarHBondContact O-N 2.83Å; Y140-E142 VanDerWaalsContact C-N 3.28Å; Y140-E142 PolarHBondContact O-N 3.13Å; Y140-Y143 HydrophobicContact CD1-CD2 4.01Å; Y140-Y143 HydrophobicContact CD1-CE2 4.36Å; Y140-Y143 PolarHBondContact O-N 3.18Å; Y140-V144 WeakPolarHBondContact O-CG2 3.39Å; Y140-V144 PolarHBondContact O-N 2.94Å; Y140-Y170 PolarHBondContact OH-OH 3.1Å
141G89.4Confident90Very high36 Ų3661 Ų6137%0.37132%0.321SS..Hα-helixtrans-55.1-37.8-173.700000114.4P138 V144 A145P138-G141 PolarHBondContact O-N 2.88Å; G141-V144 PolarHBondContact O-N 2.89Å; G141-A145 VanDerWaalsContact O-CB 3.26Å; G141-A145 WeakPolarHBondContact O-CB 3.26Å; G141-A145 PolarHBondContact O-N 3.34Å
142E87.1Confident89.6Confident106 Ų10657 Ų5750%0.49531%0.312SS..Hα-helixtrans-59.8-50.5174.5-68.3176.717200111.5Y140 V144 A145 D146 R488Y140-E142 VanDerWaalsContact C-N 3.28Å; Y140-E142 PolarHBondContact O-N 3.13Å; E142-V144 PolarHBondContact O-N 3.13Å; E142-A145 PolarHBondContact O-N 3.11Å; E142-D146 VanDerWaalsContact O-CG 3.26Å; E142-D146 PolarHBondContact O-N 3.46Å; E142-R488 IonicContact OE2-CZ 3.21Å; E142-R488 IonicContact OE2-NH2 2.69Å; E142-R488 PolarHBondContact OE2-NH2 2.87Å
143Y89.8Confident89.2Confident16 Ų1660.9 Ų60.96%0.06333%0.332CS..Hα-helixtrans-66.5-38.2179.2-55.1-49.1000112.6F106 Y140 A145 D146 L147 V161 L222 R488F106-Y143 HydrophobicContact CZ-CD2 4.19Å; Y140-Y143 HydrophobicContact CD1-CD2 4.01Å; Y140-Y143 HydrophobicContact CD1-CE2 4.36Å; Y140-Y143 PolarHBondContact O-N 3.18Å; Y143-A145 VanDerWaalsContact C-N 3.32Å; Y143-D146 PolarHBondContact O-N 2.79Å; Y143-L147 WeakPolarHBondContact O-CB 3.4Å; Y143-L147 VanDerWaalsContact O-CG 3.26Å; Y143-L147 WeakPolarHBondContact O-CG 3.49Å; Y143-L147 PolarHBondContact O-N 3.14Å; Y143-V161 HydrophobicContact CD1-CG1 4.27Å; Y143-V161 HydrophobicContact CD1-CG2 4.32Å; Y143-L222 HydrophobicContact CD1-CD1 4.13Å; Y143-L222 HydrophobicContact CD1-CD2 3.85Å; Y143-L222 HydrophobicContact CD1-CG 4.2Å; Y143-L222 HydrophobicContact CD2-CD2 3.7Å; Y143-L222 HydrophobicContact CD2-CG 4.22Å; Y143-L222 HydrophobicContact CE1-CD1 3.5Å; Y143-L222 VanDerWaalsContact CE1-CD1 3.5Å; Y143-L222 HydrophobicContact CE1-CD2 3.87Å; Y143-L222 HydrophobicContact CE1-CG 3.69Å; Y143-L222 HydrophobicContact CE2-CD1 4.42Å; Y143-L222 HydrophobicContact CE2-CD2 3.7Å; Y143-L222 HydrophobicContact CE2-CG 3.68Å; Y143-L222 HydrophobicContact CG-CD2 3.77Å; Y143-L222 HydrophobicContact CG-CG 4.45Å; Y143-R488 VanDerWaalsContact CE2-NH1 3.26Å; Y143-R488 VanDerWaalsContact CZ-CZ 3.41Å; Y143-R488 VanDerWaalsContact OH-CD 3.31Å; Y143-R488 WeakPolarHBondContact OH-CD 3.46Å; Y143-R488 PolarHBondContact OH-NE 3.06Å
144V91.7Very high88.9Confident14 Ų1464.3 Ų64.39%0.08535%0.348CS..Hα-helixtrans-64.7-40.7176.1176.30000110.2F106 F109 Q136 Y140 G141 E142 L147 A148F106-V144 HydrophobicContact CE2-CG2 4.41Å; F109-V144 HydrophobicContact CE1-CG1 4.46Å; F109-V144 HydrophobicContact CE1-CG2 4.24Å; Q136-V144 HydrophobicContact CB-CG2 4.2Å; Q136-V144 HydrophobicContact CG-CG2 4.16Å; Y140-V144 WeakPolarHBondContact O-CG2 3.39Å; Y140-V144 PolarHBondContact O-N 2.94Å; G141-V144 PolarHBondContact O-N 2.89Å; E142-V144 PolarHBondContact O-N 3.13Å; V144-L147 PolarHBondContact O-N 3.29Å; V144-A148 VanDerWaalsContact O-CB 3.32Å; V144-A148 WeakPolarHBondContact O-CB 3.29Å; V144-A148 PolarHBondContact O-N 3.17Å
145A91Very high88.7Confident38 Ų3862.7 Ų62.731%0.31433%0.327SS..Hα-helixtrans-65.6-41.3175.500000112G141 E142 Y143 A148 R149G141-A145 VanDerWaalsContact O-CB 3.26Å; G141-A145 WeakPolarHBondContact O-CB 3.26Å; G141-A145 PolarHBondContact O-N 3.34Å; E142-A145 PolarHBondContact O-N 3.11Å; Y143-A145 VanDerWaalsContact C-N 3.32Å; A145-A148 PolarHBondContact O-N 2.86Å; A145-R149 WeakPolarHBondContact O-CG 3.37Å; A145-R149 PolarHBondContact O-N 3.39Å
146D88.5Confident88.5Confident52 Ų5258 Ų5828%0.27831%0.305SS..Hα-helixtrans-62.4-45.8175.9-68.3-15000111.4E142 Y143 A148 R149E142-D146 VanDerWaalsContact O-CG 3.26Å; E142-D146 PolarHBondContact O-N 3.46Å; Y143-D146 PolarHBondContact O-N 2.79Å; D146-A148 PolarHBondContact O-N 2.65Å; D146-R149 PolarHBondContact O-N 2.96Å; D146-R149 IonicContact OD1-CZ 3.96Å; D146-R149 IonicContact OD1-NH1 2.89Å; D146-R149 PolarHBondContact OD1-NH1 2.9Å; D146-R149 IonicContact OD1-NH2 3.64Å
147L88.8Confident88Confident3 Ų361.2 Ų61.22%0.01633%0.326CS..Hα-helixtrans-60.4-43.7174.2-72165.2000111.5V110 F125 Y143 V144 R149 M150 V162V110-L147 HydrophobicContact CB-CD1 4.14Å; V110-L147 HydrophobicContact CG1-CD1 3.6Å; V110-L147 HydrophobicContact CG1-CD2 4.22Å; V110-L147 HydrophobicContact CG2-CD1 3.65Å; F125-L147 WeakPolarHBondContact CZ-O 3.47Å; Y143-L147 WeakPolarHBondContact O-CB 3.4Å; Y143-L147 VanDerWaalsContact O-CG 3.26Å; Y143-L147 WeakPolarHBondContact O-CG 3.49Å; Y143-L147 PolarHBondContact O-N 3.14Å; V144-L147 PolarHBondContact O-N 3.29Å; L147-R149 PolarHBondContact O-N 2.79Å; L147-M150 HydrophobicContact CD2-CE 3.98Å; L147-M150 HydrophobicContact CD2-SD 4.04Å; L147-M150 WeakPolarHBondContact O-CB 3.32Å; L147-M150 PolarHBondContact O-N 3.49Å; L147-V162 HydrophobicContact CD2-CG2 4.45Å
148A90.4Very high87.9Confident53 Ų5362.2 Ų62.244%0.43834%0.341SS..Hα-helixtrans-63.1-23.5-179.900000113.6V129 V144 A145 D146V129-A148 HydrophobicContact CG1-CB 3.92Å; V144-A148 VanDerWaalsContact O-CB 3.32Å; V144-A148 WeakPolarHBondContact O-CB 3.29Å; V144-A148 PolarHBondContact O-N 3.17Å; A145-A148 PolarHBondContact O-N 2.86Å; D146-A148 PolarHBondContact O-N 2.65Å
149R90.1Very high87.8Confident166 Ų16657.8 Ų57.863%0.62631%0.312SS*.Hα-helixtrans-76.6-21.6175-68.1-178.7-151.3119.18.9113.1A145 D146 L147A145-R149 WeakPolarHBondContact O-CG 3.37Å; A145-R149 PolarHBondContact O-N 3.39Å; D146-R149 PolarHBondContact O-N 2.96Å; D146-R149 IonicContact OD1-CZ 3.96Å; D146-R149 IonicContact OD1-NH1 2.89Å; D146-R149 PolarHBondContact OD1-NH1 2.9Å; D146-R149 IonicContact OD1-NH2 3.64Å; L147-R149 PolarHBondContact O-N 2.79Å
150M88.9Confident87.6Confident13 Ų1359.2 Ų59.26%0.06433%0.327CS..  trans-70.1139.4-177.6-57.6179.8-165.900111.4L117 F125 L147 D155 L156 S159 V162L117-M150 HydrophobicContact CD1-CB 3.93Å; F125-M150 WeakPolarHBondContact CE1-O 3.37Å; L147-M150 HydrophobicContact CD2-CE 3.98Å; L147-M150 HydrophobicContact CD2-SD 4.04Å; L147-M150 WeakPolarHBondContact O-CB 3.32Å; L147-M150 PolarHBondContact O-N 3.49Å; M150-D155 HydrophobicContact CB-CB 4.01Å; M150-D155 HydrophobicContact CG-CB 4.13Å; M150-L156 HydrophobicContact SD-CD2 3.84Å; M150-S159 VanDerWaalsContact CE-OG 3.23Å; M150-S159 WeakPolarHBondContact CE-OG 3.39Å; M150-V162 HydrophobicContact CE-CG2 3.85Å; M150-V162 HydrophobicContact SD-CG2 3.99Å
151R85.4Confident87.3Confident173 Ų17359.4 Ų59.465%0.65333%0.329SS*.  trans-130.6-25.4-177.5-62.8179.5-179.8-175.20.7113.3D155R151-D155 WeakPolarHBondContact CA-OD2 3.15Å; R151-D155 PolarHBondContact N-OD2 3.5Å
152S83.8Confident87.2Confident40 Ų4057.7 Ų57.728%0.2831%0.311SS..SBendtrans-129.9169.4-172.275.70000112D154 D155 L156S152-D154 PolarHBondContact O-N 2.93Å; S152-D154 PolarHBondContact OG-N 2.92Å; S152-D155 PolarHBondContact N-OD2 3.5Å; S152-D155 PolarHBondContact O-N 3.04Å; S152-D155 PolarHBondContact OG-N 3.43Å; S152-D155 PolarHBondContact OG-OD1 3.32Å; S152-D155 PolarHBondContact OG-OD2 2.85Å; S152-D155 VanDerWaalsContact OG-OD2 3.12Å; S152-L156 PolarHBondContact O-N 2.87Å
153I84.8Confident87.2Confident84 Ų8454.9 Ų54.943%0.43130%0.298SS..Hα-helixtrans-67.5-25.8171.5-160.6166.1000111.7R118 D155 L156 T157R118-I153 HydrophobicContact CG-CD1 4.26Å; I153-D155 VanDerWaalsContact C-N 3.32Å; I153-L156 WeakPolarHBondContact O-CB 3.47Å; I153-L156 PolarHBondContact O-N 2.7Å; I153-T157 PolarHBondContact O-N 2.72Å; I153-T157 VanDerWaalsContact O-N 3.14Å
154D85.7Confident87Confident111 Ų11154.3 Ų54.359%0.59430%0.296SS*.Hα-helixtrans-71.6-31177.7-57.5-35000111.4S152 L156 T157 S158S152-D154 PolarHBondContact O-N 2.93Å; S152-D154 PolarHBondContact OG-N 2.92Å; D154-L156 VanDerWaalsContact C-N 3.31Å; D154-T157 PolarHBondContact O-N 3.25Å; D154-T157 PolarHBondContact O-OG1 2.68Å; D154-S158 WeakPolarHBondContact O-CB 3.28Å; D154-S158 PolarHBondContact O-N 3.26Å; D154-S158 VanDerWaalsContact O-N 3.14Å; D154-S158 PolarHBondContact O-OG 3.48Å
155D87.5Confident86.8Confident56 Ų5653.9 Ų53.930%0.29929%0.293SS..Hα-helixtrans-68.4-34.1172.6-54.2-31.9000110.9M150 R151 S152 I153 S158 S159M150-D155 HydrophobicContact CB-CB 4.01Å; M150-D155 HydrophobicContact CG-CB 4.13Å; R151-D155 WeakPolarHBondContact CA-OD2 3.15Å; R151-D155 PolarHBondContact N-OD2 3.5Å; S152-D155 PolarHBondContact N-OD2 3.5Å; S152-D155 PolarHBondContact O-N 3.04Å; S152-D155 PolarHBondContact OG-N 3.43Å; S152-D155 PolarHBondContact OG-OD1 3.32Å; S152-D155 PolarHBondContact OG-OD2 2.85Å; S152-D155 VanDerWaalsContact OG-OD2 3.12Å; I153-D155 VanDerWaalsContact C-N 3.32Å; D155-S158 WeakPolarHBondContact CA-OG 3.49Å; D155-S158 PolarHBondContact O-OG 2.81Å; D155-S158 VanDerWaalsContact O-OG 3.11Å; D155-S159 WeakPolarHBondContact O-CB 3.23Å; D155-S159 PolarHBondContact O-N 2.93Å; D155-S159 VanDerWaalsContact O-N 3.1Å
156L85.6Confident86.7Confident8 Ų852 Ų524%0.04228%0.278CS..Hα-helixtrans-68-41.6175.5-71.8177.3000112I114 L117 R118 M150 S152 I153 D154 V162I114-L156 HydrophobicContact CG1-CD2 4.25Å; I114-L156 HydrophobicContact CG2-CD1 4.4Å; I114-L156 HydrophobicContact CG2-CD2 4.25Å; L117-L156 HydrophobicContact CB-CD1 3.58Å; L117-L156 HydrophobicContact CB-CD2 4.44Å; L117-L156 HydrophobicContact CB-CG 4.16Å; L117-L156 HydrophobicContact CD1-CD1 4.44Å; L117-L156 HydrophobicContact CD1-CD2 3.88Å; L117-L156 HydrophobicContact CD1-CG 4.11Å; R118-L156 HydrophobicContact CB-CD1 4.26Å; M150-L156 HydrophobicContact SD-CD2 3.84Å; S152-L156 PolarHBondContact O-N 2.87Å; I153-L156 WeakPolarHBondContact O-CB 3.47Å; I153-L156 PolarHBondContact O-N 2.7Å; D154-L156 VanDerWaalsContact C-N 3.31Å; L156-V162 HydrophobicContact CB-CG1 4.44Å; L156-V162 HydrophobicContact CD2-CG1 4.12Å; L156-V162 HydrophobicContact CD2-CG2 3.87Å
157T83.5Confident86.6Confident87 Ų8750.4 Ų50.453%0.53427%0.271SS..Hα-helixtrans-71.2-34.9-177.5550000111.7I153 D154 Q163I153-T157 PolarHBondContact O-N 2.72Å; I153-T157 VanDerWaalsContact O-N 3.14Å; D154-T157 PolarHBondContact O-N 3.25Å; D154-T157 PolarHBondContact O-OG1 2.68Å; T157-Q163 PolarHBondContact O-NE2 3.44Å
158S85.4Confident86.4Confident92 Ų9251.8 Ų51.864%0.64328%0.278SS*.Hα-helixtrans-76.8-25.6176.755.80000113.9D154 D155 S160D154-S158 WeakPolarHBondContact O-CB 3.28Å; D154-S158 PolarHBondContact O-N 3.26Å; D154-S158 VanDerWaalsContact O-N 3.14Å; D154-S158 PolarHBondContact O-OG 3.48Å; D155-S158 WeakPolarHBondContact CA-OG 3.49Å; D155-S158 PolarHBondContact O-OG 2.81Å; D155-S158 VanDerWaalsContact O-OG 3.11Å; S158-S160 PolarHBondContact O-N 2.87Å
159S87.3Confident86.5Confident19 Ų1954 Ų5413%0.13328%0.275CS..  trans-69.6115.7-179.1-179.70000112.7M150 D155 V161 V162 Q163M150-S159 VanDerWaalsContact CE-OG 3.23Å; M150-S159 WeakPolarHBondContact CE-OG 3.39Å; D155-S159 WeakPolarHBondContact O-CB 3.23Å; D155-S159 PolarHBondContact O-N 2.93Å; D155-S159 VanDerWaalsContact O-N 3.1Å; S159-V161 VanDerWaalsContact C-N 3.3Å; S159-V161 PolarHBondContact O-N 2.84Å; S159-V162 PolarHBondContact O-N 3.28Å; S159-V162 PolarHBondContact OG-N 3.12Å; S159-Q163 WeakPolarHBondContact O-CG 3.43Å; S159-Q163 PolarHBondContact O-N 3.24Å
160S83.5Confident86.6Confident67 Ų6746.6 Ų46.647%0.46925%0.248SC..Hα-helixtrans-56.7-43.2172.857.60000111.9S158 V162 Q163 I164S158-S160 PolarHBondContact O-N 2.87Å; S160-V162 PolarHBondContact O-N 3.31Å; S160-Q163 PolarHBondContact O-N 3.27Å; S160-I164 WeakPolarHBondContact O-CD1 3.22Å; S160-I164 WeakPolarHBondContact O-CG1 3.27Å; S160-I164 PolarHBondContact O-N 3.22Å
161V85.4Confident86.9Confident13 Ų1346.8 Ų46.88%0.07925%0.249CC..Hα-helixtrans-57.3-45.9178.9177.10000111.9Y143 S159 I164 L165 L222Y143-V161 HydrophobicContact CD1-CG1 4.27Å; Y143-V161 HydrophobicContact CD1-CG2 4.32Å; S159-V161 VanDerWaalsContact C-N 3.3Å; S159-V161 PolarHBondContact O-N 2.84Å; V161-I164 PolarHBondContact O-N 3.38Å; V161-L165 HydrophobicContact CG1-CD1 4Å; V161-L165 WeakPolarHBondContact O-CG 3.41Å; V161-L165 PolarHBondContact O-N 2.94Å; V161-L222 HydrophobicContact CB-CD1 4.45Å; V161-L222 HydrophobicContact CG1-CD1 3.86Å; V161-L222 HydrophobicContact CG1-CD2 3.79Å; V161-L222 HydrophobicContact CG1-CG 4.5Å; V161-L222 HydrophobicContact CG2-CD1 4.27Å
162V88Confident87.3Confident0 Ų038.6 Ų38.60%022%0.218CC..Hα-helixtrans-64.5-43.1179.11740000110.8F64 I114 L147 M150 L156 S159 S160 I164 L165 R166F64-V162 HydrophobicContact CE2-CG1 4.36Å; I114-V162 HydrophobicContact CD1-CG1 4.08Å; I114-V162 HydrophobicContact CD1-CG2 4.33Å; I114-V162 HydrophobicContact CG1-CG1 4.23Å; I114-V162 HydrophobicContact CG1-CG2 4.28Å; I114-V162 HydrophobicContact CG2-CG1 4.16Å; L147-V162 HydrophobicContact CD2-CG2 4.45Å; M150-V162 HydrophobicContact CE-CG2 3.85Å; M150-V162 HydrophobicContact SD-CG2 3.99Å; L156-V162 HydrophobicContact CB-CG1 4.44Å; L156-V162 HydrophobicContact CD2-CG1 4.12Å; L156-V162 HydrophobicContact CD2-CG2 3.87Å; S159-V162 PolarHBondContact O-N 3.28Å; S159-V162 PolarHBondContact OG-N 3.12Å; S160-V162 PolarHBondContact O-N 3.31Å; V162-I164 VanDerWaalsContact C-N 3.28Å; V162-I164 PolarHBondContact O-N 2.92Å; V162-L165 PolarHBondContact O-N 3.36Å; V162-R166 HydrophobicContact CG1-CG 4.36Å; V162-R166 WeakPolarHBondContact O-CB 3.5Å; V162-R166 WeakPolarHBondContact O-CG 3.31Å; V162-R166 PolarHBondContact O-N 3.3Å
163Q85.3Confident87.8Confident47 Ų4737.6 Ų37.622%0.2221%0.21CC..Hα-helixtrans-60.8-39.5177-63.5-60.4-16.200111.7T157 S159 S160 S167T157-Q163 PolarHBondContact O-NE2 3.44Å; S159-Q163 WeakPolarHBondContact O-CG 3.43Å; S159-Q163 PolarHBondContact O-N 3.24Å; S160-Q163 PolarHBondContact O-N 3.27Å; Q163-S167 WeakPolarHBondContact O-CB 3.41Å; Q163-S167 PolarHBondContact O-N 2.91Å; Q163-S167 PolarHBondContact O-OG 2.91Å
164I85.6Confident88.2Confident4 Ų433.7 Ų33.72%0.02119%0.19CC..Hα-helixtrans-65.3-47177.7-63.6162.9000111S160 V161 V162 R166 S167 N168 L222 T223 Y466S160-I164 WeakPolarHBondContact O-CD1 3.22Å; S160-I164 WeakPolarHBondContact O-CG1 3.27Å; S160-I164 PolarHBondContact O-N 3.22Å; V161-I164 PolarHBondContact O-N 3.38Å; V162-I164 VanDerWaalsContact C-N 3.28Å; V162-I164 PolarHBondContact O-N 2.92Å; I164-R166 VanDerWaalsContact C-N 3.34Å; I164-R166 PolarHBondContact O-N 3.2Å; I164-S167 PolarHBondContact O-OG 2.96Å; I164-S167 VanDerWaalsContact O-OG 3.08Å; I164-N168 PolarHBondContact O-N 3.42Å; I164-N168 PolarHBondContact O-ND2 3.45Å; I164-L222 HydrophobicContact CG2-CB 4.5Å; I164-T223 HydrophobicContact CG2-CG2 4.19Å; I164-Y466 HydrophobicContact CG1-CD1 4.26Å; I164-Y466 HydrophobicContact CG1-CG 4.19Å; I164-Y466 HydrophobicContact CG2-CD1 3.95Å; I164-Y466 HydrophobicContact CG2-CD2 4.03Å; I164-Y466 HydrophobicContact CG2-CG 3.65Å
165L88.9Confident88.7Confident5 Ų528.4 Ų28.43%0.02616%0.161CC..Hα-helixtrans-65.3-37.2179.9-72.5166.9000112.5V110 H111 I114 V161 V162 N168 L222V110-L165 HydrophobicContact CB-CD1 4.49Å; V110-L165 HydrophobicContact CG1-CD1 3.41Å; V110-L165 VanDerWaalsContact CG1-CD1 3.41Å; H111-L165 PolarHBondContact CE1-O 2.82Å; I114-L165 HydrophobicContact CD1-CD1 4.36Å; V161-L165 HydrophobicContact CG1-CD1 4Å; V161-L165 WeakPolarHBondContact O-CG 3.41Å; V161-L165 PolarHBondContact O-N 2.94Å; V162-L165 PolarHBondContact O-N 3.36Å; L165-N168 VanDerWaalsContact O-O 3.06Å; L165-L222 HydrophobicContact CD1-CD2 4.22Å; L165-L222 HydrophobicContact CD2-CB 4.38Å; L165-L222 HydrophobicContact CD2-CD2 4.14Å; L165-L222 VanDerWaalsContact CD2-O 3.24Å; L165-L222 WeakPolarHBondContact CD2-O 3.14Å; L165-L222 HydrophobicContact CG-CD2 4.26Å
166R89Confident89Confident0 Ų027.9 Ų27.90%016%0.16CC..Hα-helixtrans-84.4-21.8-176.9-71.7-77.4173.4161.81.3114F64 R65 H111 I114 D115 V162 I164 H199F64-R166 HydrophobicContact CD1-CB 4.27Å; F64-R166 HydrophobicContact CD2-CB 3.86Å; F64-R166 HydrophobicContact CD2-CG 4.41Å; F64-R166 HydrophobicContact CE1-CB 4.04Å; F64-R166 HydrophobicContact CE1-CG 3.88Å; F64-R166 HydrophobicContact CE2-CB 3.68Å; F64-R166 HydrophobicContact CE2-CG 3.73Å; F64-R166 HydrophobicContact CG-CB 4.17Å; F64-R166 HydrophobicContact CZ-CB 3.79Å; F64-R166 HydrophobicContact CZ-CG 3.44Å; F64-R166 VanDerWaalsContact CZ-CG 3.44Å; R65-R166 WeakPolarHBondContact CB-O 3.34Å; R65-R166 WeakPolarHBondContact CG-O 3.42Å; R65-R166 PolarHBondContact N-O 3.02Å; R65-R166 VanDerWaalsContact O-CD 3.29Å; R65-R166 WeakPolarHBondContact O-CD 3.37Å; R65-R166 PolarHBondContact O-NH1 3.01Å; H111-R166 PolarHBondContact O-NH2 2.86Å; I114-R166 HydrophobicContact CD1-CG 4.43Å; I114-R166 HydrophobicContact CG2-CG 4.44Å; D115-R166 VanDerWaalsContact CG-NH2 3.25Å; D115-R166 IonicContact OD1-CZ 3.89Å; D115-R166 VanDerWaalsContact OD1-CZ 3.31Å; D115-R166 IonicContact OD1-NH1 3.63Å; D115-R166 PolarHBondContact OD1-NH1 3.29Å; D115-R166 VanDerWaalsContact OD1-NH1 3.14Å; D115-R166 IonicContact OD1-NH2 2.77Å; D115-R166 PolarHBondContact OD1-NH2 3.42Å; D115-R166 IonicContact OD2-NH2 3.57Å; V162-R166 HydrophobicContact CG1-CG 4.36Å; V162-R166 WeakPolarHBondContact O-CB 3.5Å; V162-R166 WeakPolarHBondContact O-CG 3.31Å; V162-R166 PolarHBondContact O-N 3.3Å; I164-R166 VanDerWaalsContact C-N 3.34Å; I164-R166 PolarHBondContact O-N 3.2Å; R166-H199 PolarHBondContact NH1-CE1 3.01Å; R166-H199 PolarHBondContact NH1-NE2 3.16Å
167S84.8Confident89.4Confident17 Ų1730.9 Ų30.912%0.11917%0.174CC..Hα-helixtrans-82-23.417453.50000114Q163 I164Q163-S167 WeakPolarHBondContact O-CB 3.41Å; Q163-S167 PolarHBondContact O-N 2.91Å; Q163-S167 PolarHBondContact O-OG 2.91Å; I164-S167 PolarHBondContact O-OG 2.96Å; I164-S167 VanDerWaalsContact O-OG 3.08Å
168N86.3Confident89.9Confident33 Ų3326.8 Ų26.818%0.17615%0.149CC..SBendtrans-112.9170.2-176.4-60.8-70.4000111.7I164 L165 T223 Y466I164-N168 PolarHBondContact O-N 3.42Å; I164-N168 PolarHBondContact O-ND2 3.45Å; L165-N168 VanDerWaalsContact O-O 3.06Å; N168-T223 HydrophobicContact CB-CG2 4.23Å; N168-Y466 WeakPolarHBondContact ND2-CE1 3.36Å; N168-Y466 VanDerWaalsContact ND2-CZ 3.25Å; N168-Y466 PolarHBondContact ND2-OH 3.46Å; N168-Y466 PolarHBondContact OD1-OH 3.28Å
169R91.9Very high90.3Very high98 Ų9826 Ų2637%0.3713%0.134SC..  trans-104.4128164.8-69.9173.775.6128.88.8108.6R65 V171 Q197 H199 I200 C201R65-R169 VanDerWaalsContact NH1-CG 3.29Å; R169-V171 PolarHBondContact O-N 3.23Å; R169-Q197 PolarHBondContact NH1-O 3.21Å; R169-Q197 PolarHBondContact NH2-O 3.33Å; R169-H199 CarbonylContact C-O 3.55Å; R169-H199 WeakPolarHBondContact CA-O 3.4Å; R169-H199 WeakPolarHBondContact CB-O 3.34Å; R169-I200 PolarHBondContact NE-O 2.95Å; R169-I200 PolarHBondContact NH2-O 3.41Å; R169-C201 HydrophobicContact CB-CB 3.92Å
170Y93Very high90.6Very high12 Ų1231.3 Ų31.35%0.04716%0.156CC..EExtended strand (participates in β ladder)trans-64.8120.3175.1-168.1-79.1000109.7F106 P107 Y140 V172 H199 I200 C201 L222 G224F106-Y170 HydrophobicContact CD1-CE2 4.13Å; F106-Y170 HydrophobicContact CE1-CE2 4.29Å; P107-Y170 HydrophobicContact CB-CD1 3.82Å; P107-Y170 HydrophobicContact CB-CD2 3.96Å; P107-Y170 HydrophobicContact CB-CE1 4.27Å; P107-Y170 HydrophobicContact CB-CE2 4.41Å; P107-Y170 HydrophobicContact CB-CG 3.66Å; P107-Y170 HydrophobicContact CG-CD1 3.76Å; P107-Y170 HydrophobicContact CG-CE1 3.88Å; P107-Y170 HydrophobicContact CG-CG 4.14Å; Y140-Y170 PolarHBondContact OH-OH 3.1Å; Y170-V172 HydrophobicContact CD1-CG2 3.58Å; Y170-V172 HydrophobicContact CE1-CG2 3.75Å; Y170-H199 PolarHBondContact N-O 2.5Å; Y170-I200 CarbonylContact O-C 3.59Å; Y170-I200 WeakPolarHBondContact O-CA 3.46Å; Y170-C201 PolarHBondContact O-N 3.2Å; Y170-L222 WeakPolarHBondContact CD2-O 3.48Å; Y170-L222 WeakPolarHBondContact CE2-O 3.39Å; Y170-G224 VanDerWaalsContact CZ-CA 3.42Å
171V94.4Very high91Very high16 Ų1632.7 Ų32.710%0.09715%0.154CC..EExtended strand (participates in β ladder)trans-87.1125.3-176.3-179.80000110.1R169 L173 C201 T223 G224 E225 P227R169-V171 PolarHBondContact O-N 3.23Å; V171-L173 HydrophobicContact CG1-CD1 4.01Å; V171-C201 WeakPolarHBondContact CA-O 3.27Å; V171-C201 HydrophobicContact CG2-CB 4.3Å; V171-T223 PolarHBondContact N-O 2.78Å; V171-G224 WeakPolarHBondContact O-CA 3.45Å; V171-E225 VanDerWaalsContact CB-O 3.32Å; V171-E225 WeakPolarHBondContact CB-O 3.49Å; V171-E225 WeakPolarHBondContact CG1-O 3.2Å; V171-E225 PolarHBondContact O-N 2.74Å; V171-P227 HydrophobicContact CG1-CB 4.4Å
172V94Very high91.4Very high1 Ų132.3 Ų32.31%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-125.4128.7174.8-176.10000109.4A103 L104 Y170 L174 I200 C201 L202 C203A103-V172 HydrophobicContact CB-CG1 4.09Å; L104-V172 HydrophobicContact CD2-CB 4.31Å; L104-V172 HydrophobicContact CD2-CG1 4.25Å; L104-V172 HydrophobicContact CD2-CG2 3.9Å; L104-V172 HydrophobicContact CG-CG1 4.46Å; Y170-V172 HydrophobicContact CD1-CG2 3.58Å; Y170-V172 HydrophobicContact CE1-CG2 3.75Å; V172-L174 HydrophobicContact CG1-CD2 3.92Å; V172-L174 HydrophobicContact CG1-CG 4.17Å; V172-I200 HydrophobicContact CG2-CG2 3.99Å; V172-C201 PolarHBondContact N-O 3.22Å; V172-L202 HydrophobicContact CB-CD2 4.23Å; V172-C203 PolarHBondContact O-N 2.8Å
173L93.6Very high91.6Very high20 Ų2036.5 Ų36.511%0.10517%0.173CC..EExtended strand (participates in β ladder)trans-91.6124173.5-86.368.2000110.8V171 C203 R210 E225 F228V171-L173 HydrophobicContact CG1-CD1 4.01Å; L173-C203 CarbonylContact C-O 3.41Å; L173-C203 WeakPolarHBondContact CA-O 3.38Å; L173-C203 HydrophobicContact CD1-CB 3.93Å; L173-C203 HydrophobicContact CG-CB 4.04Å; L173-R210 PolarHBondContact O-NH2 2.82Å; L173-E225 HydrophobicContact CD1-CB 3.75Å; L173-E225 PolarHBondContact N-OE1 2.79Å; L173-F228 HydrophobicContact CD2-CE1 3.86Å; L173-F228 HydrophobicContact CD2-CZ 3.68Å; L173-F228 HydrophobicContact CG-CE2 4.47Å; L173-F228 HydrophobicContact CG-CZ 3.91Å
174L94.2Very high92Very high1 Ų137.5 Ų37.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-123.4146176.9-61-179000110.4E100 V172 L182 L202 C203 I204 H205E100-L174 HydrophobicContact CB-CD2 3.87Å; E100-L174 WeakPolarHBondContact O-CD2 3.49Å; V172-L174 HydrophobicContact CG1-CD2 3.92Å; V172-L174 HydrophobicContact CG1-CG 4.17Å; L174-L182 HydrophobicContact CD1-CD2 3.79Å; L174-L202 HydrophobicContact CD1-CD1 4.48Å; L174-L202 HydrophobicContact CD1-CD2 3.88Å; L174-C203 PolarHBondContact N-O 2.77Å; L174-I204 VanDerWaalsContact O-CA 3.27Å; L174-I204 WeakPolarHBondContact O-CA 3.45Å; L174-H205 VanDerWaalsContact C-CD2 3.42Å; L174-H205 PolarHBondContact O-CD2 2.79Å; L174-H205 VanDerWaalsContact O-CD2 3.25Å; L174-H205 PolarHBondContact O-N 2.89Å
175S94.5Very high92.2Very high0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-69.3160.9164.161.50000110.6E100 E177 S178 K179 H205E100-S175 PolarHBondContact OE1-N 3.41Å; E100-S175 VanDerWaalsContact OE2-CB 3.28Å; E100-S175 WeakPolarHBondContact OE2-CB 3.32Å; E100-S175 PolarHBondContact OE2-N 2.73Å; E100-S175 PolarHBondContact OE2-OG 3.32Å; S175-E177 PolarHBondContact O-N 2.94Å; S175-S178 PolarHBondContact O-N 3.16Å; S175-S178 WeakPolarHBondContact OG-CB 3.38Å; S175-S178 PolarHBondContact OG-N 2.84Å; S175-S178 PolarHBondContact OG-OG 3.49Å; S175-S178 VanDerWaalsContact OG-OG 3.04Å; S175-K179 PolarHBondContact O-N 2.84Å; S175-H205 PolarHBondContact N-NE2 2.91Å
176V94.6Very high92.3Very high45 Ų4539.3 Ų39.327%0.27319%0.194SC..Hα-helixtrans-55.3-40.3173.7179.20000111.2K179 Q180 I204V176-K179 PolarHBondContact O-N 2.96Å; V176-Q180 WeakPolarHBondContact O-CG 3.43Å; V176-Q180 PolarHBondContact O-N 2.88Å; V176-I204 HydrophobicContact CB-CG2 4.45Å; V176-I204 HydrophobicContact CG2-CG2 3.7Å
177E93.7Very high92.2Very high72 Ų7245 Ų4534%0.33622%0.224SC..Hα-helixtrans-66.5-46.2-180-63.5178.6139.900112R96 L97 S175 K179 Q180 K181R96-E177 IonicContact CZ-OE1 2.74Å; R96-E177 IonicContact CZ-OE2 3.61Å; R96-E177 IonicContact NH1-OE1 2.79Å; R96-E177 IonicContact NH1-OE2 3Å; R96-E177 PolarHBondContact NH1-OE2 2.95Å; R96-E177 IonicContact NH2-OE1 3.22Å; R96-E177 PolarHBondContact NH2-OE1 3.18Å; R96-E177 IonicContact NH2-OE2 3.96Å; R96-E177 PolarHBondContact NH2-OE2 3.13Å; L97-E177 HydrophobicContact CD2-CB 4.05Å; S175-E177 PolarHBondContact O-N 2.94Å; E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 3.33Å; E177-Q180 PolarHBondContact O-N 2.88Å; E177-K181 PolarHBondContact O-N 2.86Å; E177-K181 VanDerWaalsContact O-N 3.1Å
178S94.1Very high92.4Very high0 Ų051.2 Ų51.20%025%0.251CS..Hα-helixtrans-58.4-42.9175.4-67.90000111.6E100 S175 K181 L182E100-S178 VanDerWaalsContact OE2-CB 3.27Å; E100-S178 WeakPolarHBondContact OE2-CB 3.41Å; E100-S178 PolarHBondContact OE2-OG 3.13Å; S175-S178 PolarHBondContact O-N 3.16Å; S175-S178 WeakPolarHBondContact OG-CB 3.38Å; S175-S178 PolarHBondContact OG-N 2.84Å; S175-S178 PolarHBondContact OG-OG 3.49Å; S175-S178 VanDerWaalsContact OG-OG 3.04Å; S178-K181 PolarHBondContact O-N 2.96Å; S178-L182 WeakPolarHBondContact O-CB 3.18Å; S178-L182 PolarHBondContact O-N 3.33Å
179K94.2Very high92.6Very high75 Ų7549.8 Ų49.833%0.32624%0.243SC..Hα-helixtrans-62.4-43.9176.3176.6178.1172.3-1750112.3S175 V176 E177 K181 L182 L183 I204S175-K179 PolarHBondContact O-N 2.84Å; V176-K179 PolarHBondContact O-N 2.96Å; E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 3.33Å; K179-K181 PolarHBondContact O-N 2.81Å; K179-L182 PolarHBondContact O-N 3.1Å; K179-L183 HydrophobicContact CG-CD1 4.1Å; K179-L183 HydrophobicContact CG-CG 4.34Å; K179-L183 WeakPolarHBondContact O-CG 3.48Å; K179-L183 PolarHBondContact O-N 2.95Å; K179-L183 VanDerWaalsContact O-N 3.1Å; K179-I204 HydrophobicContact CD-CD1 3.29Å; K179-I204 HydrophobicContact CD-CG1 3.77Å
180Q93.2Very high92.4Very high131 Ų13152 Ų5261%0.61225%0.252SS*.Hα-helixtrans-60.9-35.6178.9-74.9174.7-1.500111.8V176 E177 P184V176-Q180 WeakPolarHBondContact O-CG 3.43Å; V176-Q180 PolarHBondContact O-N 2.88Å; E177-Q180 PolarHBondContact O-N 2.88Å; Q180-P184 WeakPolarHBondContact O-CD 3.47Å
181K92.9Very high92.2Very high97 Ų9751.6 Ų51.642%0.42225%0.25SS..Hα-helixtrans-75.4-34.6174.9-113.1-66.6-178.6177.60113.6V92 L97 E177 S178 K179V92-K181 HydrophobicContact CG1-CD 4.44Å; V92-K181 HydrophobicContact CG1-CG 4.5Å; L97-K181 HydrophobicContact CD1-CB 4.35Å; L97-K181 HydrophobicContact CD1-CG 4.26Å; E177-K181 PolarHBondContact O-N 2.86Å; E177-K181 VanDerWaalsContact O-N 3.1Å; S178-K181 PolarHBondContact O-N 2.96Å; K179-K181 PolarHBondContact O-N 2.81Å
182L93.9Very high92.1Very high4 Ų450.8 Ų50.82%0.02125%0.246CC..Hα-helixtrans-67.4-43.6-179.6-179.167.6000112.7F85 W88 L101 L104 L174 S178 K179 M185 V186 L202F85-L182 HydrophobicContact CE2-CD1 3.86Å; F85-L182 HydrophobicContact CZ-CD1 4.14Å; W88-L182 HydrophobicContact CH2-CB 4.37Å; W88-L182 HydrophobicContact CH2-CD1 3.83Å; W88-L182 HydrophobicContact CZ3-CD1 3.9Å; L101-L182 HydrophobicContact CD2-CB 4.03Å; L101-L182 HydrophobicContact CD2-CD1 4.23Å; L104-L182 HydrophobicContact CD1-CD1 3.76Å; L104-L182 HydrophobicContact CD1-CD2 3.71Å; L104-L182 HydrophobicContact CD1-CG 4.41Å; L174-L182 HydrophobicContact CD1-CD2 3.79Å; S178-L182 WeakPolarHBondContact O-CB 3.18Å; S178-L182 PolarHBondContact O-N 3.33Å; K179-L182 PolarHBondContact O-N 3.1Å; L182-M185 PolarHBondContact O-N 2.97Å; L182-M185 VanDerWaalsContact O-N 3.12Å; L182-V186 HydrophobicContact CD1-CG2 3.53Å; L182-V186 HydrophobicContact CG-CG2 3.76Å; L182-V186 WeakPolarHBondContact O-CG2 3.26Å; L182-V186 PolarHBondContact O-N 3.11Å; L182-L202 HydrophobicContact CD2-CD1 4.08Å
183L92Very high92Very high88 Ų8851.6 Ų51.646%0.46125%0.251SS..Hα-helixtrans-56-49.6-172.8-75.6167000113.7K179 M185 V186 N187K179-L183 HydrophobicContact CG-CD1 4.1Å; K179-L183 HydrophobicContact CG-CG 4.34Å; K179-L183 WeakPolarHBondContact O-CG 3.48Å; K179-L183 PolarHBondContact O-N 2.95Å; K179-L183 VanDerWaalsContact O-N 3.1Å; L183-M185 VanDerWaalsContact C-N 3.32Å; L183-M185 PolarHBondContact O-N 2.86Å; L183-V186 PolarHBondContact O-N 2.92Å; L183-N187 PolarHBondContact O-N 2.95Å; L183-N187 VanDerWaalsContact O-N 3.14Å; L183-N187 PolarHBondContact O-ND2 2.91Å; L183-N187 PolarHBondContact O-OD1 3.28Å
184P92.2Very high91.9Very high69 Ų6951 Ų5145%0.44825%0.249SC..Hα-helixtrans-59.5-40176.1-24.133.1000113.1Q180 H188Q180-P184 WeakPolarHBondContact O-CD 3.47Å; P184-H188 PolarHBondContact O-CE1 2.98Å; P184-H188 PolarHBondContact O-ND1 2.92Å
185M91Very high91.8Very high35 Ų3551 Ų5117%0.17225%0.249CC..Hα-helixtrans-66.8-48.3-178.9-175.765.2-176.100111.3R84 W88 L182 L183 N187 H188 L189R84-M185 HydrophobicContact CB-CE 4.46Å; W88-M185 HydrophobicContact CB-CE 3.64Å; W88-M185 HydrophobicContact CB-SD 4.21Å; W88-M185 HydrophobicContact CD2-CB 4.09Å; W88-M185 HydrophobicContact CD2-CE 4.47Å; W88-M185 HydrophobicContact CD2-CG 3.57Å; W88-M185 HydrophobicContact CD2-SD 4.13Å; W88-M185 HydrophobicContact CE3-CB 4.42Å; W88-M185 HydrophobicContact CE3-CG 3.86Å; W88-M185 HydrophobicContact CG-CE 3.88Å; W88-M185 HydrophobicContact CG-CG 3.88Å; W88-M185 HydrophobicContact CG-SD 3.78Å; W88-M185 HydrophobicContact CH2-CB 4.14Å; W88-M185 HydrophobicContact CH2-CG 4.47Å; W88-M185 HydrophobicContact CZ2-CB 3.78Å; W88-M185 HydrophobicContact CZ2-CG 4.21Å; W88-M185 HydrophobicContact CZ3-CB 4.45Å; W88-M185 HydrophobicContact CZ3-CG 4.31Å; L182-M185 PolarHBondContact O-N 2.97Å; L182-M185 VanDerWaalsContact O-N 3.12Å; L183-M185 VanDerWaalsContact C-N 3.32Å; L183-M185 PolarHBondContact O-N 2.86Å; M185-N187 VanDerWaalsContact C-N 3.25Å; M185-N187 PolarHBondContact O-N 2.76Å; M185-H188 PolarHBondContact O-N 3.12Å; M185-L189 HydrophobicContact CE-CD1 3.77Å; M185-L189 HydrophobicContact CE-CG 4.27Å; M185-L189 HydrophobicContact CG-CD1 4.35Å
186V89.7Confident91.7Very high12 Ų1251.7 Ų51.77%0.07325%0.253CS..Hα-helixtrans-63.6-33-177.8174.50000111.4F85 L182 L183 H188 L189 S193 I196F85-V186 HydrophobicContact CE2-CG2 4.49Å; L182-V186 HydrophobicContact CD1-CG2 3.53Å; L182-V186 HydrophobicContact CG-CG2 3.76Å; L182-V186 WeakPolarHBondContact O-CG2 3.26Å; L182-V186 PolarHBondContact O-N 3.11Å; L183-V186 PolarHBondContact O-N 2.92Å; V186-H188 PolarHBondContact O-N 3.4Å; V186-H188 VanDerWaalsContact O-N 3.16Å; V186-L189 CarbonylContact O-C 3.56Å; V186-L189 PolarHBondContact O-N 2.79Å; V186-S193 VanDerWaalsContact CG1-CA 3.45Å; V186-S193 VanDerWaalsContact CG1-CB 3.49Å; V186-I196 HydrophobicContact CB-CD1 4.47Å; V186-I196 HydrophobicContact CG1-CD1 3.93Å; V186-I196 HydrophobicContact CG2-CD1 3.6Å
187N88.4Confident91.5Very high120 Ų12055.8 Ų55.864%0.64227%0.269SS*.Hα-helixtrans-61.7-22.8175.2-71.4-15.2000113.7L183 M185L183-N187 PolarHBondContact O-N 2.95Å; L183-N187 VanDerWaalsContact O-N 3.14Å; L183-N187 PolarHBondContact O-ND2 2.91Å; L183-N187 PolarHBondContact O-OD1 3.28Å; M185-N187 VanDerWaalsContact C-N 3.25Å; M185-N187 PolarHBondContact O-N 2.76Å
188H88.5Confident91.3Very high147 Ų14753.2 Ų53.268%0.68126%0.259SS*.THydrogen-bonded Turntrans-90.9-9.3176.5-63.489000113.5P184 M185 V186P184-H188 PolarHBondContact O-CE1 2.98Å; P184-H188 PolarHBondContact O-ND1 2.92Å; M185-H188 PolarHBondContact O-N 3.12Å; V186-H188 PolarHBondContact O-N 3.4Å; V186-H188 VanDerWaalsContact O-N 3.16Å
189L89.7Confident91.2Very high3 Ų353.2 Ų53.22%0.01626%0.259CS..  trans-118.998.6-176.3-59.7179.4000109.6E81 R84 F85 M185 V186 V192 S193E81-L189 HydrophobicContact CB-CD2 4.21Å; E81-L189 HydrophobicContact CG-CD2 4.11Å; R84-L189 HydrophobicContact CB-CD2 4.31Å; F85-L189 HydrophobicContact CB-CD1 3.8Å; F85-L189 HydrophobicContact CD2-CD1 3.92Å; F85-L189 HydrophobicContact CG-CD1 4.35Å; M185-L189 HydrophobicContact CE-CD1 3.77Å; M185-L189 HydrophobicContact CE-CG 4.27Å; M185-L189 HydrophobicContact CG-CD1 4.35Å; V186-L189 CarbonylContact O-C 3.56Å; V186-L189 PolarHBondContact O-N 2.79Å; L189-V192 HydrophobicContact CB-CB 3.86Å; L189-V192 HydrophobicContact CB-CG2 4.18Å; L189-V192 HydrophobicContact CD1-CB 4.34Å; L189-V192 HydrophobicContact CD1-CG2 4.2Å; L189-S193 VanDerWaalsContact O-CB 3.23Å; L189-S193 WeakPolarHBondContact O-CB 3.32Å; L189-S193 PolarHBondContact O-N 3.29Å
190R88.8Confident91.2Very high145 Ų14549.8 Ų49.855%0.54724%0.244SC..Hα-helixtrans-70.5-42.8-167-64.5-179.1-179.6-175.6-2.4112.2E81 A194E81-R190 PolarHBondContact OE1-N 3.16Å; E81-R190 PolarHBondContact OE2-N 3.39Å; E81-R190 VanDerWaalsContact OE2-N 3.08Å; R190-A194 WeakPolarHBondContact O-CB 3.44Å; R190-A194 PolarHBondContact O-N 3.17Å
191L89.3Confident91.2Very high2 Ų245.7 Ų45.71%0.0123%0.229CC..Hα-helixtrans-66.7-47.9178.6-57.9175.3000110.4Y69 C73 L75 L77 C78 E81 L112 S193 A194 V195Y69-L191 HydrophobicContact CD1-CD2 3.75Å; Y69-L191 HydrophobicContact CE1-CB 4.2Å; Y69-L191 HydrophobicContact CE1-CD2 3.52Å; Y69-L191 HydrophobicContact CE1-CG 4.5Å; C73-L191 HydrophobicContact CB-CD2 3.72Å; L75-L191 HydrophobicContact CD1-CD2 4.15Å; L77-L191 HydrophobicContact CB-CD1 4.34Å; C78-L191 HydrophobicContact CB-CD1 4.22Å; E81-L191 WeakPolarHBondContact OE2-CA 3.36Å; E81-L191 VanDerWaalsContact OE2-CB 3.22Å; E81-L191 WeakPolarHBondContact OE2-CB 3.45Å; E81-L191 PolarHBondContact OE2-N 2.89Å; L112-L191 HydrophobicContact CD2-CB 4.49Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 2.83Å; L191-A194 PolarHBondContact O-N 2.91Å; L191-V195 WeakPolarHBondContact O-CG2 3.34Å; L191-V195 PolarHBondContact O-N 2.86Å
192V91.6Very high91.3Very high0 Ų043.7 Ų43.70%022%0.223CC..Hα-helixtrans-60.2-42.5178.2174.20000110.8E81 F85 L108 L189 V195 I196E81-V192 HydrophobicContact CB-CG2 4.28Å; E81-V192 PolarHBondContact OE2-N 3.26Å; F85-V192 HydrophobicContact CD2-CG1 4.09Å; F85-V192 HydrophobicContact CE2-CG1 4.36Å; F85-V192 HydrophobicContact CG-CG1 4.47Å; L108-V192 HydrophobicContact CD1-CG1 3.85Å; L108-V192 HydrophobicContact CD2-CG1 3.9Å; L189-V192 HydrophobicContact CB-CB 3.86Å; L189-V192 HydrophobicContact CB-CG2 4.18Å; L189-V192 HydrophobicContact CD1-CB 4.34Å; L189-V192 HydrophobicContact CD1-CG2 4.2Å; V192-V195 PolarHBondContact O-N 2.98Å; V192-I196 HydrophobicContact CG1-CD1 3.74Å; V192-I196 HydrophobicContact CG1-CG1 4.4Å; V192-I196 VanDerWaalsContact O-CG1 3.29Å; V192-I196 WeakPolarHBondContact O-CG1 3.48Å; V192-I196 PolarHBondContact O-N 2.84Å
193S91.5Very high91.2Very high18 Ų1844.3 Ų44.313%0.12623%0.228CC..Hα-helixtrans-59.9-45.8174.9-176.40000112.5V186 L189 L191 V195 I196 Q197V186-S193 VanDerWaalsContact CG1-CA 3.45Å; V186-S193 VanDerWaalsContact CG1-CB 3.49Å; L189-S193 VanDerWaalsContact O-CB 3.23Å; L189-S193 WeakPolarHBondContact O-CB 3.32Å; L189-S193 PolarHBondContact O-N 3.29Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 2.83Å; S193-V195 PolarHBondContact O-N 3.37Å; S193-I196 PolarHBondContact O-N 2.97Å; S193-Q197 WeakPolarHBondContact O-CB 3.22Å; S193-Q197 VanDerWaalsContact O-CG 3.28Å; S193-Q197 WeakPolarHBondContact O-CG 3.34Å; S193-Q197 PolarHBondContact O-N 2.92Å; S193-Q197 PolarHBondContact OG-NE2 3.07Å
194A91Very high91.3Very high8 Ų843 Ų437%0.06622%0.22CC..Hα-helixtrans-61.6-42.8178.600000112Y69 R190 L191 Q197 S198Y69-A194 HydrophobicContact CD1-CB 3.7Å; Y69-A194 HydrophobicContact CE1-CB 3.82Å; R190-A194 WeakPolarHBondContact O-CB 3.44Å; R190-A194 PolarHBondContact O-N 3.17Å; L191-A194 PolarHBondContact O-N 2.91Å; A194-Q197 PolarHBondContact O-N 3.41Å; A194-S198 VanDerWaalsContact O-CB 3.31Å; A194-S198 WeakPolarHBondContact O-CB 3.43Å; A194-S198 PolarHBondContact O-N 3.23Å; A194-S198 PolarHBondContact O-OG 3.37Å
195V92.3Very high91.3Very high0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-64.2-46.7176.4175.20000111.1T67 L108 H111 L112 L191 V192 S193 Q197 S198 H199T67-V195 HydrophobicContact CG2-CG2 4.1Å; L108-V195 HydrophobicContact CD2-CB 4.09Å; L108-V195 HydrophobicContact CD2-CG1 3.78Å; H111-V195 HydrophobicContact CB-CG1 3.54Å; L112-V195 HydrophobicContact CD2-CG2 3.95Å; L112-V195 HydrophobicContact CG-CG2 4.38Å; L191-V195 WeakPolarHBondContact O-CG2 3.34Å; L191-V195 PolarHBondContact O-N 2.86Å; V192-V195 PolarHBondContact O-N 2.98Å; S193-V195 PolarHBondContact O-N 3.37Å; V195-Q197 VanDerWaalsContact C-N 3.34Å; V195-Q197 PolarHBondContact O-N 2.82Å; V195-S198 PolarHBondContact O-N 3.44Å; V195-H199 PolarHBondContact O-N 3.15Å
196I92.3Very high91Very high14 Ų1447.8 Ų47.87%0.07224%0.236CC..Hα-helixtrans-59.5-46.5178.8-69.9168.5000110.6L108 V186 V192 S193 S198 I200 L202L108-I196 HydrophobicContact CD2-CD1 4.46Å; L108-I196 HydrophobicContact CD2-CG1 3.9Å; V186-I196 HydrophobicContact CB-CD1 4.47Å; V186-I196 HydrophobicContact CG1-CD1 3.93Å; V186-I196 HydrophobicContact CG2-CD1 3.6Å; V192-I196 HydrophobicContact CG1-CD1 3.74Å; V192-I196 HydrophobicContact CG1-CG1 4.4Å; V192-I196 VanDerWaalsContact O-CG1 3.29Å; V192-I196 WeakPolarHBondContact O-CG1 3.48Å; V192-I196 PolarHBondContact O-N 2.84Å; S193-I196 PolarHBondContact O-N 2.97Å; I196-S198 VanDerWaalsContact C-N 3.34Å; I196-S198 PolarHBondContact O-N 2.99Å; I196-I200 HydrophobicContact CG1-CD1 3.97Å; I196-I200 HydrophobicContact CG2-CB 4.45Å; I196-I200 PolarHBondContact O-N 2.89Å; I196-I200 VanDerWaalsContact O-N 3.11Å; I196-I200 VanDerWaalsContact O-O 3.09Å; I196-L202 HydrophobicContact CG2-CD1 4.12Å
197Q91.3Very high90.9Very high132 Ų13248.9 Ų48.962%0.61725%0.249SC*.Hα-helixtrans-65.2-37.9-178.8-71.8176.45.300112.5R169 S193 A194 V195R169-Q197 PolarHBondContact NH1-O 3.21Å; R169-Q197 PolarHBondContact NH2-O 3.33Å; S193-Q197 WeakPolarHBondContact O-CB 3.22Å; S193-Q197 VanDerWaalsContact O-CG 3.28Å; S193-Q197 WeakPolarHBondContact O-CG 3.34Å; S193-Q197 PolarHBondContact O-N 2.92Å; S193-Q197 PolarHBondContact OG-NE2 3.07Å; A194-Q197 PolarHBondContact O-N 3.41Å; V195-Q197 VanDerWaalsContact C-N 3.34Å; V195-Q197 PolarHBondContact O-N 2.82Å
198S90.1Very high91.1Very high18 Ų1848.2 Ų48.213%0.12625%0.252CS..Hα-helixtrans-80.2-44.6-176-54.70000112.7V68 A194 V195 I196V68-S198 PolarHBondContact N-OG 2.85Å; A194-S198 VanDerWaalsContact O-CB 3.31Å; A194-S198 WeakPolarHBondContact O-CB 3.43Å; A194-S198 PolarHBondContact O-N 3.23Å; A194-S198 PolarHBondContact O-OG 3.37Å; V195-S198 PolarHBondContact O-N 3.44Å; I196-S198 VanDerWaalsContact C-N 3.34Å; I196-S198 PolarHBondContact O-N 2.99Å
199H92.3Very high91.2Very high0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-120.1-11.1-164.1-61.9-54.9000115.7R65 T67 H111 R166 R169 Y170 V195R65-H199 PolarHBondContact O-CE1 2.91Å; T67-H199 VanDerWaalsContact CG2-CD2 3.42Å; T67-H199 WeakPolarHBondContact CG2-CD2 3.08Å; T67-H199 WeakPolarHBondContact CG2-NE2 3.19Å; H111-H199 VanDerWaalsContact CE1-CB 3.47Å; H111-H199 WeakPolarHBondContact CE1-CB 3.33Å; H111-H199 AromaticContact CE1-CG 3.45Å; H111-H199 VanDerWaalsContact CE1-CG 3.45Å; H111-H199 AromaticContact CE1-ND1 3.84Å; H111-H199 AromaticContact CG-CD2 3.94Å; H111-H199 AromaticContact CG-CG 3.98Å; H111-H199 AromaticContact ND1-CD2 3.54Å; H111-H199 AromaticContact ND1-CG 3.46Å; H111-H199 WeakPolarHBondContact NE2-CB 3.32Å; H111-H199 AromaticContact NE2-CG 3.94Å; R166-H199 PolarHBondContact NH1-CE1 3.01Å; R166-H199 PolarHBondContact NH1-NE2 3.16Å; R169-H199 CarbonylContact C-O 3.55Å; R169-H199 WeakPolarHBondContact CA-O 3.4Å; R169-H199 WeakPolarHBondContact CB-O 3.34Å; Y170-H199 PolarHBondContact N-O 2.5Å; V195-H199 PolarHBondContact O-N 3.15Å
200I93.3Very high91.3Very high2 Ų243.7 Ų43.71%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-112.5132-175.4-60.8175.6000109.6L104 P107 L108 R169 Y170 V172 I196 L202L104-I200 HydrophobicContact CD2-CD1 4.11Å; L104-I200 HydrophobicContact CD2-CG2 3.96Å; P107-I200 HydrophobicContact CB-CD1 4.04Å; P107-I200 HydrophobicContact CB-CG1 4.32Å; P107-I200 HydrophobicContact CG-CD1 4.1Å; L108-I200 HydrophobicContact CD2-CD1 4.01Å; L108-I200 HydrophobicContact CG-CD1 4.25Å; R169-I200 PolarHBondContact NE-O 2.95Å; R169-I200 PolarHBondContact NH2-O 3.41Å; Y170-I200 CarbonylContact O-C 3.59Å; Y170-I200 WeakPolarHBondContact O-CA 3.46Å; V172-I200 HydrophobicContact CG2-CG2 3.99Å; I196-I200 HydrophobicContact CG1-CD1 3.97Å; I196-I200 HydrophobicContact CG2-CB 4.45Å; I196-I200 PolarHBondContact O-N 2.89Å; I196-I200 VanDerWaalsContact O-N 3.11Å; I196-I200 VanDerWaalsContact O-O 3.09Å; I200-L202 HydrophobicContact CG2-CD2 3.69Å; I200-L202 HydrophobicContact CG2-CG 4.33Å
201C93.6Very high91.5Very high45 Ų4540.8 Ų40.830%0.30423%0.23SC..EExtended strand (participates in β ladder)trans-101.3110.8172-172.20000108.8R169 Y170 V171 V172R169-C201 HydrophobicContact CB-CB 3.92Å; Y170-C201 PolarHBondContact O-N 3.2Å; V171-C201 WeakPolarHBondContact CA-O 3.27Å; V171-C201 HydrophobicContact CG2-CB 4.3Å; V172-C201 PolarHBondContact N-O 3.22Å
202L93.7Very high91.6Very high56 Ų5643.3 Ų43.329%0.29324%0.243SC..EExtended strand (participates in β ladder)trans-89.2107.5178.4-59.5180000109.8L104 V172 L174 L182 I196 I200L104-L202 HydrophobicContact CD2-CD2 4Å; V172-L202 HydrophobicContact CB-CD2 4.23Å; L174-L202 HydrophobicContact CD1-CD1 4.48Å; L174-L202 HydrophobicContact CD1-CD2 3.88Å; L182-L202 HydrophobicContact CD2-CD1 4.08Å; I196-L202 HydrophobicContact CG2-CD1 4.12Å; I200-L202 HydrophobicContact CG2-CD2 3.69Å; I200-L202 HydrophobicContact CG2-CG 4.33Å
203C92.9Very high91.6Very high17 Ų1748.6 Ų48.612%0.11527%0.272CS..EExtended strand (participates in β ladder)trans-93127.2174.3-70.60000109.4V172 L173 L174 F228V172-C203 PolarHBondContact O-N 2.8Å; L173-C203 CarbonylContact C-O 3.41Å; L173-C203 WeakPolarHBondContact CA-O 3.38Å; L173-C203 HydrophobicContact CD1-CB 3.93Å; L173-C203 HydrophobicContact CG-CB 4.04Å; L174-C203 PolarHBondContact N-O 2.77Å; C203-F228 HydrophobicContact CB-CD2 3.99Å; C203-F228 HydrophobicContact CB-CE2 3.63Å; C203-F228 HydrophobicContact CB-CZ 4.45Å
204I93.5Very high91.5Very high60 Ų6050.9 Ų50.931%0.30829%0.285SS..EExtended strand (participates in β ladder)trans-108.2120.4-172.1-54154.6000109.4L174 V176 K179L174-I204 VanDerWaalsContact O-CA 3.27Å; L174-I204 WeakPolarHBondContact O-CA 3.45Å; V176-I204 HydrophobicContact CB-CG2 4.45Å; V176-I204 HydrophobicContact CG2-CG2 3.7Å; K179-I204 HydrophobicContact CD-CD1 3.29Å; K179-I204 HydrophobicContact CD-CG1 3.77Å
205H91.8Very high91.5Very high33 Ų3351 Ų5115%0.15328%0.284CS..EExtended strand (participates in β ladder)trans-99.2149.9174.669.688.8000112E100 L174 S175 G207 P208 F228E100-H205 IonicContact OE1-CE1 2.81Å; E100-H205 IonicContact OE1-NE2 2.92Å; E100-H205 PolarHBondContact OE1-NE2 3.18Å; L174-H205 VanDerWaalsContact C-CD2 3.42Å; L174-H205 PolarHBondContact O-CD2 2.79Å; L174-H205 VanDerWaalsContact O-CD2 3.25Å; L174-H205 PolarHBondContact O-N 2.89Å; S175-H205 PolarHBondContact N-NE2 2.91Å; H205-G207 PolarHBondContact O-N 3.03Å; H205-P208 PolarHBondContact CE1-O 3.34Å; H205-F228 HydrophobicContact CB-CZ 3.84Å
206Q85.4Confident91.5Very high172 Ų17254.7 Ų54.780%0.80430%0.3SS*.SBendtrans-9285.4175.3-60-65.6-18.200108
207G88.5Confident91.3Very high34 Ų3459.7 Ų59.735%0.35132%0.318SS..SBendtrans-174.1170.3-177.500000112.4H205H205-G207 PolarHBondContact O-N 3.03Å
208P91Very high91.3Very high106 Ų10655 Ų5569%0.68830%0.298SS*.SBendtrans-63.7152.2173.329.6-35.1000110.4H205 R210H205-P208 PolarHBondContact CE1-O 3.34Å; P208-R210 PolarHBondContact O-N 2.72Å
209S91.1Very high91.3Very high17 Ų1754.8 Ų54.812%0.11930%0.297CS..PPolyproline II helixtrans-55135.8176.158.40000111.9R96R96-S209 WeakPolarHBondContact O-CB 3.37Å; R96-S209 PolarHBondContact O-OG 3.01Å
210R92.9Very high90.9Very high38 Ų3854.8 Ų54.814%0.14330%0.297CS..PPolyproline II helixtrans-70.1146.8-179-61.5178.6-64.1159.61.2111.3E100 L173 P208 V214 I215 E225E100-R210 HydrophobicContact CG-CB 4.36Å; E100-R210 PolarHBondContact OE1-N 2.64Å; E100-R210 IonicContact OE1-NE 3.59Å; L173-R210 PolarHBondContact O-NH2 2.82Å; P208-R210 PolarHBondContact O-N 2.72Å; R210-V214 HydrophobicContact CB-CG1 4.49Å; R210-I215 HydrophobicContact CB-CD1 4.13Å; R210-I215 HydrophobicContact CB-CG1 3.9Å; R210-E225 IonicContact CZ-OE1 3.79Å; R210-E225 IonicContact CZ-OE2 3.94Å; R210-E225 IonicContact NH1-OE1 3.25Å; R210-E225 IonicContact NH1-OE2 2.71Å; R210-E225 PolarHBondContact NH1-OE2 3.16Å; R210-E225 IonicContact NH2-OE1 3.06Å; R210-E225 PolarHBondContact NH2-OE1 2.96Å; R210-E225 IonicContact NH2-OE2 2.97Å; R210-E225 PolarHBondContact NH2-OE2 2.63Å
211T92.5Very high90.7Very high84 Ų8454.8 Ų54.852%0.51530%0.297SS..PPolyproline II helixtrans-72.8158.1173.858.90000111.1D213 V214 I215T211-D213 VanDerWaalsContact C-N 3.3Å; T211-D213 PolarHBondContact O-N 2.98Å; T211-V214 PolarHBondContact O-N 3.22Å; T211-V214 WeakPolarHBondContact OG1-CG2 3.47Å; T211-I215 PolarHBondContact O-N 2.67Å
212D91.7Very high90.4Very high55 Ų5552.9 Ų52.929%0.29428%0.284SS..Hα-helixtrans-56-42.7178-173.951.9000112.6P99 V214 I215 K216P99-D212 HydrophobicContact CB-CB 4.06Å; P99-D212 HydrophobicContact CG-CB 3.95Å; D212-V214 VanDerWaalsContact C-N 3.33Å; D212-V214 PolarHBondContact O-N 3.41Å; D212-I215 PolarHBondContact O-N 2.81Å; D212-K216 WeakPolarHBondContact O-CB 3.34Å; D212-K216 WeakPolarHBondContact O-CG 3.39Å; D212-K216 PolarHBondContact O-N 2.9Å; D212-K216 WeakPolarHBondContact OD1-CE 3.44Å; D212-K216 IonicContact OD1-NZ 2.93Å; D212-K216 WeakPolarHBondContact OD2-CE 3.5Å; D212-K216 IonicContact OD2-NZ 3.81Å; D212-K216 PolarHBondContact OD2-NZ 3.02Å
213D90Very high90.1Very high112 Ų11250.9 Ų50.960%0.59927%0.274SS*.Hα-helixtrans-59.4-42.3178-61.6-31.4000112.5T211 K216 R217T211-D213 VanDerWaalsContact C-N 3.3Å; T211-D213 PolarHBondContact O-N 2.98Å; D213-K216 PolarHBondContact O-N 2.83Å; D213-R217 WeakPolarHBondContact O-CB 3.4Å; D213-R217 VanDerWaalsContact O-CG 3.3Å; D213-R217 WeakPolarHBondContact O-CG 3.26Å; D213-R217 PolarHBondContact O-N 3.31Å
214V90.2Very high90Very high66 Ų6650.1 Ų50.140%0.427%0.269SS..Hα-helixtrans-66.8-41.3179.8173.50000110.7R210 T211 D212 R217 V218R210-V214 HydrophobicContact CB-CG1 4.49Å; T211-V214 PolarHBondContact O-N 3.22Å; T211-V214 WeakPolarHBondContact OG1-CG2 3.47Å; D212-V214 VanDerWaalsContact C-N 3.33Å; D212-V214 PolarHBondContact O-N 3.41Å; V214-R217 PolarHBondContact O-N 3.39Å; V214-V218 WeakPolarHBondContact O-CG2 3.42Å; V214-V218 PolarHBondContact O-N 2.84Å
215I91.4Very high89.9Confident10 Ų1047.9 Ų47.95%0.05126%0.257CS..Hα-helixtrans-69-42.8178.7-63.8173000110.5P99 E100 A103 R210 T211 D212 R217 V218 S219P99-I215 HydrophobicContact CB-CD1 3.53Å; E100-I215 HydrophobicContact CB-CD1 4.34Å; E100-I215 HydrophobicContact CG-CD1 3.79Å; A103-I215 HydrophobicContact CB-CG2 4.4Å; R210-I215 HydrophobicContact CB-CD1 4.13Å; R210-I215 HydrophobicContact CB-CG1 3.9Å; T211-I215 PolarHBondContact O-N 2.67Å; D212-I215 PolarHBondContact O-N 2.81Å; I215-R217 VanDerWaalsContact C-N 3.26Å; I215-R217 PolarHBondContact O-N 3.11Å; I215-V218 PolarHBondContact O-N 2.95Å; I215-S219 VanDerWaalsContact O-CB 3.25Å; I215-S219 WeakPolarHBondContact O-CB 3.39Å; I215-S219 PolarHBondContact O-N 3.24Å; I215-S219 PolarHBondContact O-OG 3.48Å
216K91.1Very high89.9Confident78 Ų7847 Ų4734%0.33925%0.254SS..Hα-helixtrans-60.8-35.2174.6-77.6176.5175.2167.70111.8D212 D213 V218 S219 K508D212-K216 WeakPolarHBondContact O-CB 3.34Å; D212-K216 WeakPolarHBondContact O-CG 3.39Å; D212-K216 PolarHBondContact O-N 2.9Å; D212-K216 WeakPolarHBondContact OD1-CE 3.44Å; D212-K216 IonicContact OD1-NZ 2.93Å; D212-K216 WeakPolarHBondContact OD2-CE 3.5Å; D212-K216 IonicContact OD2-NZ 3.81Å; D212-K216 PolarHBondContact OD2-NZ 3.02Å; D213-K216 PolarHBondContact O-N 2.83Å; K216-V218 PolarHBondContact O-N 2.8Å; K216-S219 WeakPolarHBondContact CA-OG 3.13Å; K216-S219 PolarHBondContact O-OG 3.36Å; K216-K508 WeakPolarHBondContact O-CE 3.32Å; K216-K508 PolarHBondContact O-NZ 3.01Å
217R89.3Confident90.1Very high119 Ų11939.9 Ų39.945%0.44922%0.223SC..Hα-helixtrans-68.9-28.9176.4-80-179.1177.91803.9115.2D213 V214 I215 G506 L542 D545D213-R217 WeakPolarHBondContact O-CB 3.4Å; D213-R217 VanDerWaalsContact O-CG 3.3Å; D213-R217 WeakPolarHBondContact O-CG 3.26Å; D213-R217 PolarHBondContact O-N 3.31Å; V214-R217 PolarHBondContact O-N 3.39Å; I215-R217 VanDerWaalsContact C-N 3.26Å; I215-R217 PolarHBondContact O-N 3.11Å; R217-G506 WeakPolarHBondContact O-CA 3.46Å; R217-L542 HydrophobicContact CB-CD2 3.88Å; R217-L542 HydrophobicContact CG-CD2 4.38Å; R217-D545 WeakPolarHBondContact CD-OD1 3.41Å; R217-D545 IonicContact CZ-OD1 2.94Å; R217-D545 VanDerWaalsContact CZ-OD1 3.26Å; R217-D545 IonicContact NE-OD1 3.56Å; R217-D545 PolarHBondContact NE-OD1 3.37Å; R217-D545 IonicContact NE-OD2 2.77Å; R217-D545 IonicContact NH1-OD1 3.25Å; R217-D545 IonicContact NH2-OD1 3.69Å
218V90.2Very high90Very high33 Ų3341 Ų4120%0.222%0.219CC..Hα-helixtrans-101.2-23.4-175-177.80000112.6V214 I215 K216 E225 T505 G506V214-V218 WeakPolarHBondContact O-CG2 3.42Å; V214-V218 PolarHBondContact O-N 2.84Å; I215-V218 PolarHBondContact O-N 2.95Å; K216-V218 PolarHBondContact O-N 2.8Å; V218-E225 HydrophobicContact CG1-CG 4.19Å; V218-T505 WeakPolarHBondContact CG1-OG1 3.32Å; V218-G506 WeakPolarHBondContact O-CA 3.36Å; V218-G506 PolarHBondContact O-N 3.26Å; V218-G506 VanDerWaalsContact O-N 3.12Å
219S89.9Confident89.8Confident14 Ų1441.8 Ų41.810%0.09822%0.217CC..  trans-69.7165.7176.952.70000112.9F139 I215 K216 K508F139-S219 VanDerWaalsContact CZ-OG 3.25Å; F139-S219 WeakPolarHBondContact CZ-OG 3.26Å; I215-S219 VanDerWaalsContact O-CB 3.25Å; I215-S219 WeakPolarHBondContact O-CB 3.39Å; I215-S219 PolarHBondContact O-N 3.24Å; I215-S219 PolarHBondContact O-OG 3.48Å; K216-S219 WeakPolarHBondContact CA-OG 3.13Å; K216-S219 PolarHBondContact O-OG 3.36Å; S219-K508 PolarHBondContact O-NZ 3.11Å; S219-K508 PolarHBondContact OG-NZ 2.94Å; S219-K508 VanDerWaalsContact OG-NZ 3.17Å
220G85.9Confident89.6Confident0 Ų042.5 Ų42.50%022%0.219CC..  trans132.3-25.8170.700000114.7R488G220-R488 WeakPolarHBondContact O-CD 3.25Å; G220-R488 PolarHBondContact O-NH1 3.45Å; G220-R488 VanDerWaalsContact O-NH1 3.13Å
221C88Confident89.3Confident1 Ų142 Ų421%0.00722%0.221CC..SBendtrans-76.8147.9175.2-1780000111.9T223 G224 D487 T489 T505C221-T223 VanDerWaalsContact C-N 3.29Å; C221-T223 PolarHBondContact O-N 2.93Å; C221-T223 PolarHBondContact SG-N 3.25Å; C221-T223 PolarHBondContact SG-OG1 3.07Å; C221-G224 PolarHBondContact O-N 3.16Å; C221-D487 PolarHBondContact SG-O 2.91Å; C221-D487 VanDerWaalsContact SG-O 3.34Å; C221-T489 HydrophobicContact CB-CG2 3.93Å; C221-T489 WeakPolarHBondContact SG-CG2 3.47Å; C221-T505 HydrophobicContact CB-CG2 4.4Å
222L86.9Confident89Confident6 Ų645.1 Ų45.13%0.03123%0.23CC..THydrogen-bonded Turntrans-65.2-26.7175.8-78.1166.8000113.9Y143 V161 I164 L165 Y170 G224Y143-L222 HydrophobicContact CD1-CD1 4.13Å; Y143-L222 HydrophobicContact CD1-CD2 3.85Å; Y143-L222 HydrophobicContact CD1-CG 4.2Å; Y143-L222 HydrophobicContact CD2-CD2 3.7Å; Y143-L222 HydrophobicContact CD2-CG 4.22Å; Y143-L222 HydrophobicContact CE1-CD1 3.5Å; Y143-L222 VanDerWaalsContact CE1-CD1 3.5Å; Y143-L222 HydrophobicContact CE1-CD2 3.87Å; Y143-L222 HydrophobicContact CE1-CG 3.69Å; Y143-L222 HydrophobicContact CE2-CD1 4.42Å; Y143-L222 HydrophobicContact CE2-CD2 3.7Å; Y143-L222 HydrophobicContact CE2-CG 3.68Å; Y143-L222 HydrophobicContact CG-CD2 3.77Å; Y143-L222 HydrophobicContact CG-CG 4.45Å; V161-L222 HydrophobicContact CB-CD1 4.45Å; V161-L222 HydrophobicContact CG1-CD1 3.86Å; V161-L222 HydrophobicContact CG1-CD2 3.79Å; V161-L222 HydrophobicContact CG1-CG 4.5Å; V161-L222 HydrophobicContact CG2-CD1 4.27Å; I164-L222 HydrophobicContact CG2-CB 4.5Å; L165-L222 HydrophobicContact CD1-CD2 4.22Å; L165-L222 HydrophobicContact CD2-CB 4.38Å; L165-L222 HydrophobicContact CD2-CD2 4.14Å; L165-L222 VanDerWaalsContact CD2-O 3.24Å; L165-L222 WeakPolarHBondContact CD2-O 3.14Å; L165-L222 HydrophobicContact CG-CD2 4.26Å; Y170-L222 WeakPolarHBondContact CD2-O 3.48Å; Y170-L222 WeakPolarHBondContact CE2-O 3.39Å; L222-G224 VanDerWaalsContact C-N 3.32Å
223T88.3Confident88.8Confident13 Ų1344.1 Ų44.18%0.0823%0.227CC..THydrogen-bonded Turntrans-90.52.5177.256.40000113.4I164 N168 V171 C221 Y466I164-T223 HydrophobicContact CG2-CG2 4.19Å; N168-T223 HydrophobicContact CB-CG2 4.23Å; V171-T223 PolarHBondContact N-O 2.78Å; C221-T223 VanDerWaalsContact C-N 3.29Å; C221-T223 PolarHBondContact O-N 2.93Å; C221-T223 PolarHBondContact SG-N 3.25Å; C221-T223 PolarHBondContact SG-OG1 3.07Å; T223-Y466 HydrophobicContact CG2-CD2 3.86Å; T223-Y466 HydrophobicContact CG2-CE2 3.37Å
224G90.9Very high88.8Confident1 Ų145.8 Ų45.81%0.0123%0.231CC..BIsolated β-bridgetrans81.3-146.1-176.200000112.9Y170 V171 C221 L222Y170-G224 VanDerWaalsContact CZ-CA 3.42Å; V171-G224 WeakPolarHBondContact O-CA 3.45Å; C221-G224 PolarHBondContact O-N 3.16Å; L222-G224 VanDerWaalsContact C-N 3.32Å
225E92Very high88.9Confident13 Ų1343 Ų436%0.06121%0.214CC..SBendtrans-86.9172.8-172.9-61.3-172.6-107.900113.3V171 L173 R210 V218V171-E225 VanDerWaalsContact CB-O 3.32Å; V171-E225 WeakPolarHBondContact CB-O 3.49Å; V171-E225 WeakPolarHBondContact CG1-O 3.2Å; V171-E225 PolarHBondContact O-N 2.74Å; L173-E225 HydrophobicContact CD1-CB 3.75Å; L173-E225 PolarHBondContact N-OE1 2.79Å; R210-E225 IonicContact CZ-OE1 3.79Å; R210-E225 IonicContact CZ-OE2 3.94Å; R210-E225 IonicContact NH1-OE1 3.25Å; R210-E225 IonicContact NH1-OE2 2.71Å; R210-E225 PolarHBondContact NH1-OE2 3.16Å; R210-E225 IonicContact NH2-OE1 3.06Å; R210-E225 PolarHBondContact NH2-OE1 2.96Å; R210-E225 IonicContact NH2-OE2 2.97Å; R210-E225 PolarHBondContact NH2-OE2 2.63Å; V218-E225 HydrophobicContact CG1-CG 4.19Å
226C90.6Very high88.9Confident14 Ų1443.4 Ų43.410%0.09522%0.218CC..PPolyproline II helixtrans-72.1128.2175.4-177.70000111.6L503C226-L503 HydrophobicContact CB-CB 4.36Å; C226-L503 HydrophobicContact CB-CD2 4.49Å; C226-L503 HydrophobicContact CB-CG 4.48Å; C226-L503 WeakPolarHBondContact CB-O 3.39Å; C226-L503 PolarHBondContact SG-O 3.43Å
227P89.1Confident88.9Confident24 Ų2442 Ų4216%0.15621%0.211CC..PPolyproline II helixtrans-76.9150.3175.333.1-36000112.2V171 N229 I230 S231V171-P227 HydrophobicContact CG1-CB 4.4Å; P227-N229 VanDerWaalsContact C-N 3.29Å; P227-N229 VanDerWaalsContact CB-OD1 3.24Å; P227-N229 WeakPolarHBondContact CB-OD1 2.96Å; P227-N229 VanDerWaalsContact CG-OD1 3.26Å; P227-N229 WeakPolarHBondContact CG-OD1 3.24Å; P227-N229 PolarHBondContact O-N 2.87Å; P227-I230 HydrophobicContact CG-CB 4.47Å; P227-I230 HydrophobicContact CG-CD1 3.82Å; P227-I230 HydrophobicContact CG-CG1 4.14Å; P227-I230 PolarHBondContact O-N 3.46Å; P227-S231 PolarHBondContact O-N 3.11Å; P227-S231 VanDerWaalsContact O-N 3.16Å
228F87.2Confident89Confident58 Ų5836.6 Ų36.625%0.25419%0.192SC..Hα-helixtrans-58.9-35.1-172.8-67.3-57.6000114.7L173 C203 H205 I230 S231 E232L173-F228 HydrophobicContact CD2-CE1 3.86Å; L173-F228 HydrophobicContact CD2-CZ 3.68Å; L173-F228 HydrophobicContact CG-CE2 4.47Å; L173-F228 HydrophobicContact CG-CZ 3.91Å; C203-F228 HydrophobicContact CB-CD2 3.99Å; C203-F228 HydrophobicContact CB-CE2 3.63Å; C203-F228 HydrophobicContact CB-CZ 4.45Å; H205-F228 HydrophobicContact CB-CZ 3.84Å; F228-I230 PolarHBondContact O-N 3.12Å; F228-S231 WeakPolarHBondContact CA-OG 3.27Å; F228-S231 PolarHBondContact O-N 3.34Å; F228-S231 PolarHBondContact O-OG 3.48Å; F228-E232 VanDerWaalsContact O-CB 3.32Å; F228-E232 WeakPolarHBondContact O-CB 3.48Å; F228-E232 WeakPolarHBondContact O-CG 3.45Å; F228-E232 PolarHBondContact O-N 3.49Å
229N85.9Confident89.1Confident122 Ų12236.8 Ų36.865%0.65219%0.192SC*.Hα-helixtrans-59.2-29.6178.763.1-32.1000113.1P227P227-N229 VanDerWaalsContact C-N 3.29Å; P227-N229 VanDerWaalsContact CB-OD1 3.24Å; P227-N229 WeakPolarHBondContact CB-OD1 2.96Å; P227-N229 VanDerWaalsContact CG-OD1 3.26Å; P227-N229 WeakPolarHBondContact CG-OD1 3.24Å; P227-N229 PolarHBondContact O-N 2.87Å
230I87.9Confident89.2Confident32 Ų3236.9 Ų36.916%0.16419%0.19CC..Hα-helixtrans-90-42.8176.8-60.2176.1000109.9P227 F228 E232 S233 R502 L503P227-I230 HydrophobicContact CG-CB 4.47Å; P227-I230 HydrophobicContact CG-CD1 3.82Å; P227-I230 HydrophobicContact CG-CG1 4.14Å; P227-I230 PolarHBondContact O-N 3.46Å; F228-I230 PolarHBondContact O-N 3.12Å; I230-E232 VanDerWaalsContact C-N 3.33Å; I230-E232 PolarHBondContact O-N 3.43Å; I230-S233 PolarHBondContact O-OG 2.66Å; I230-R502 PolarHBondContact O-NH1 3.07Å; I230-R502 VanDerWaalsContact O-NH1 3.09Å; I230-L503 HydrophobicContact CG2-CB 4.04Å
231S85.9Confident89.4Confident27 Ų2744.9 Ų44.919%0.18922%0.22CC..Hα-helixtrans-66.3-33.7-177.965.30000113.5P227 F228 R502P227-S231 PolarHBondContact O-N 3.11Å; P227-S231 VanDerWaalsContact O-N 3.16Å; F228-S231 WeakPolarHBondContact CA-OG 3.27Å; F228-S231 PolarHBondContact O-N 3.34Å; F228-S231 PolarHBondContact O-OG 3.48Å; S231-R502 PolarHBondContact O-NH1 3.3Å; S231-R502 VanDerWaalsContact O-NH1 3.12Å; S231-R502 PolarHBondContact O-NH2 3.23Å
232E86.6Confident89.6Confident149 Ų14945.4 Ų45.470%0.69622%0.223SC*.THydrogen-bonded Turntrans-90.4-5.4-174.8-64.9-179.3174.400113.9F228 I230 H234F228-E232 VanDerWaalsContact O-CB 3.32Å; F228-E232 WeakPolarHBondContact O-CB 3.48Å; F228-E232 WeakPolarHBondContact O-CG 3.45Å; F228-E232 PolarHBondContact O-N 3.49Å; I230-E232 VanDerWaalsContact C-N 3.33Å; I230-E232 PolarHBondContact O-N 3.43Å; E232-H234 PolarHBondContact O-N 2.93Å
233S88.5Confident89.8Confident34 Ų3447.6 Ų47.624%0.23824%0.236CC..SBendtrans-62.2142.3179.566.80000110.9I230 V235 V501 R502I230-S233 PolarHBondContact O-OG 2.66Å; S233-V235 PolarHBondContact O-N 2.8Å; S233-V501 PolarHBondContact OG-O 3Å; S233-R502 PolarHBondContact O-NH1 3.05Å; S233-R502 PolarHBondContact O-NH2 3.31Å; S233-R502 PolarHBondContact OG-NH1 3.13Å
234H89.4Confident89.9Confident147 Ų14748.3 Ų48.368%0.68124%0.241SC*.  trans-68.6133.7177.6-178-87.6000111.1E232 S236E232-H234 PolarHBondContact O-N 2.93Å; H234-S236 PolarHBondContact CE1-OG 2.81Å
235V91.9Very high89.8Confident7 Ų750.4 Ų50.44%0.04225%0.252CS..  trans-129.3119.5177.6179.70000109.8S233 Y237 Y480 L492 V501 R502 I537S233-V235 PolarHBondContact O-N 2.8Å; V235-Y237 WeakPolarHBondContact O-CD1 3.45Å; V235-Y237 PolarHBondContact O-N 2.99Å; V235-Y480 HydrophobicContact CG1-CD1 4.48Å; V235-Y480 HydrophobicContact CG1-CE1 3.99Å; V235-Y480 HydrophobicContact CG1-CE2 4.34Å; V235-L492 HydrophobicContact CG1-CD2 3.93Å; V235-V501 HydrophobicContact CG2-CB 3.94Å; V235-V501 HydrophobicContact CG2-CG2 3.89Å; V235-R502 HydrophobicContact CG2-CG 4.27Å; V235-I537 HydrophobicContact CB-CG2 4.44Å; V235-I537 HydrophobicContact CG1-CG2 3.71Å
236S92Very high89.6Confident19 Ų1954.9 Ų54.913%0.13328%0.282CS..  trans-8686.8175.6-58.20000110.6H234 N280 N477 Y480H234-S236 PolarHBondContact CE1-OG 2.81Å; S236-N280 CarbonylContact C-O 3.37Å; S236-N280 VanDerWaalsContact C-O 3.23Å; S236-N280 WeakPolarHBondContact CA-O 3.42Å; S236-N280 VanDerWaalsContact CB-O 3.27Å; S236-N280 WeakPolarHBondContact CB-O 3.47Å; S236-N477 PolarHBondContact O-ND2 2.64Å; S236-N477 VanDerWaalsContact O-ND2 3.09Å; S236-Y480 PolarHBondContact N-OH 2.83Å; S236-Y480 VanDerWaalsContact N-OH 3.12Å; S236-Y480 WeakPolarHBondContact O-CE2 3.38Å
237Y91.3Very high89.4Confident50 Ų5062.2 Ų62.220%0.19632%0.315CS..  trans-89.7-0-177.960.3-95.4000113.9V235 N280 H475 G520 D521V235-Y237 WeakPolarHBondContact O-CD1 3.45Å; V235-Y237 PolarHBondContact O-N 2.99Å; Y237-N280 PolarHBondContact N-O 3.18Å; Y237-N280 PolarHBondContact OH-ND2 3.01Å; Y237-H475 PolarHBondContact O-CE1 3.46Å; Y237-H475 PolarHBondContact O-NE2 3.35Å; Y237-G520 WeakPolarHBondContact CB-O 3.22Å; Y237-D521 HydrophobicContact CD2-CB 3.86Å; Y237-D521 HydrophobicContact CE2-CB 3.84Å
238G91Very high89.1Confident5 Ų562.2 Ų62.25%0.05231%0.314CS..  trans-65.2162.5175.100000112.9N280 N477G238-N280 WeakPolarHBondContact CA-O 3.47Å; G238-N280 PolarHBondContact N-O 3.47Å; G238-N477 WeakPolarHBondContact O-CB 3.34Å; G238-N477 PolarHBondContact O-ND2 3.32Å
239L92.5Very high89Confident37 Ų3761.7 Ų61.719%0.19431%0.313CS..  trans-107.9167.7-170.1-57.3-176.8000112.5T278 S281 P476 N477 H518L239-T278 PolarHBondContact N-OG1 3.31Å; L239-T278 PolarHBondContact O-N 3.43Å; L239-T278 VanDerWaalsContact O-N 3.13Å; L239-T278 PolarHBondContact O-OG1 2.9Å; L239-S281 VanDerWaalsContact O-CB 3.3Å; L239-S281 WeakPolarHBondContact O-CB 3.36Å; L239-P476 HydrophobicContact CD2-CB 3.76Å; L239-P476 HydrophobicContact CD2-CG 4.32Å; L239-N477 HydrophobicContact CD2-CB 4.4Å; L239-H518 WeakPolarHBondContact CD1-O 3.49Å
240F91.6Very high88.9Confident15 Ų1563 Ų637%0.06632%0.315CS..EExtended strand (participates in β ladder)trans-98.7121.8166.2-58.8-64.3000108.9F275 Q276 P277 P282 W284 L289 F435 N477F240-F275 HydrophobicContact CB-CB 4.2Å; F240-F275 HydrophobicContact CB-CD1 4.04Å; F240-Q276 WeakPolarHBondContact CA-O 3.43Å; F240-P277 HydrophobicContact CD1-CB 4.36Å; F240-P277 HydrophobicContact CE1-CB 4.37Å; F240-P282 WeakPolarHBondContact CE1-O 3.42Å; F240-P282 HydrophobicContact CE2-CG 4.43Å; F240-P282 HydrophobicContact CZ-CG 3.97Å; F240-P282 WeakPolarHBondContact CZ-O 3.12Å; F240-W284 HydrophobicContact CB-CE3 4.41Å; F240-W284 HydrophobicContact CB-CZ3 3.96Å; F240-W284 AromaticContact CD1-CE3 3.68Å; F240-W284 HydrophobicContact CD1-CE3 3.68Å; F240-W284 HydrophobicContact CD1-CZ3 4.09Å; F240-W284 AromaticContact CD2-CE3 3.91Å; F240-W284 HydrophobicContact CD2-CE3 3.91Å; F240-W284 AromaticContact CD2-CZ3 3.74Å; F240-W284 HydrophobicContact CD2-CZ3 3.74Å; F240-W284 HydrophobicContact CE1-CB 4.43Å; F240-W284 AromaticContact CE1-CE3 3.78Å; F240-W284 HydrophobicContact CE1-CE3 3.78Å; F240-W284 HydrophobicContact CE2-CE3 4Å; F240-W284 HydrophobicContact CE2-CZ3 4.21Å; F240-W284 AromaticContact CG-CE3 3.74Å; F240-W284 HydrophobicContact CG-CE3 3.74Å; F240-W284 AromaticContact CG-CZ3 3.67Å; F240-W284 HydrophobicContact CG-CZ3 3.67Å; F240-W284 AromaticContact CZ-CE3 3.94Å; F240-W284 HydrophobicContact CZ-CE3 3.94Å; F240-L289 HydrophobicContact CE2-CD1 4.49Å; F240-F435 HydrophobicContact CB-CZ 3.99Å; F240-F435 AromaticContact CD2-CE2 3.69Å; F240-F435 HydrophobicContact CD2-CE2 3.69Å; F240-F435 AromaticContact CD2-CZ 3.89Å; F240-F435 HydrophobicContact CD2-CZ 3.89Å; F240-F435 HydrophobicContact CE2-CE2 4.46Å; F240-F435 HydrophobicContact CG-CZ 4.41Å; F240-N477 HydrophobicContact CD2-CB 4.19Å; F240-N477 HydrophobicContact CE2-CB 4.11Å
241R90.5Very high88.7Confident168 Ų16866.4 Ų66.463%0.63433%0.329SS*.EExtended strand (participates in β ladder)trans-96.7130179.8-173.5175.4-174.8169.95.3110.3V243 F275 Q276 T278R241-V243 PolarHBondContact O-N 2.8Å; R241-F275 CarbonylContact O-C 3.56Å; R241-F275 WeakPolarHBondContact O-CA 3.27Å; R241-Q276 PolarHBondContact N-O 3.2Å; R241-Q276 PolarHBondContact O-N 3.2Å; R241-T278 HydrophobicContact CB-CG2 3.92Å
242F91Very high88.5Confident12 Ų1265.1 Ų65.15%0.05332%0.32CS..EExtended strand (participates in β ladder)trans-71.7123.2171.9-174.3-105.2000110.3P244 F275 Q297 Q300 L301 L304F242-P244 HydrophobicContact CE1-CB 4.1Å; F242-F275 HydrophobicContact CB-CD1 4.05Å; F242-F275 HydrophobicContact CB-CE1 3.74Å; F242-F275 HydrophobicContact CB-CZ 4.09Å; F242-F275 HydrophobicContact CD2-CD2 4.07Å; F242-F275 HydrophobicContact CD2-CE1 4.43Å; F242-F275 AromaticContact CD2-CE2 3.89Å; F242-F275 HydrophobicContact CD2-CE2 3.89Å; F242-F275 HydrophobicContact CD2-CG 4.45Å; F242-F275 HydrophobicContact CD2-CZ 4.09Å; F242-F275 HydrophobicContact CG-CZ 4.49Å; F242-Q297 HydrophobicContact CE2-CB 4.25Å; F242-Q297 HydrophobicContact CE2-CG 4.14Å; F242-Q297 HydrophobicContact CZ-CB 4.21Å; F242-Q300 HydrophobicContact CB-CB 4.15Å; F242-Q300 HydrophobicContact CB-CG 4.21Å; F242-Q300 HydrophobicContact CD1-CB 3.62Å; F242-Q300 HydrophobicContact CD1-CG 4.49Å; F242-Q300 HydrophobicContact CD2-CB 4.09Å; F242-Q300 HydrophobicContact CD2-CG 4.22Å; F242-Q300 HydrophobicContact CE1-CB 3.96Å; F242-Q300 HydrophobicContact CE2-CB 4.41Å; F242-Q300 HydrophobicContact CG-CB 3.68Å; F242-Q300 HydrophobicContact CG-CG 4.06Å; F242-Q300 HydrophobicContact CZ-CB 4.34Å; F242-L301 HydrophobicContact CE1-CD2 4.03Å; F242-L301 HydrophobicContact CE1-CG 4.21Å; F242-L304 HydrophobicContact CD1-CD1 4.13Å
243V92.1Very high88.2Confident52 Ų5259.2 Ų59.232%0.31529%0.293SS..EExtended strand (participates in β ladder)trans-109.8109.2175.2-1790000107.7R241 G273 S274 Q276R241-V243 PolarHBondContact O-N 2.8Å; V243-G273 CarbonylContact O-C 3.56Å; V243-G273 WeakPolarHBondContact O-CA 3.5Å; V243-S274 PolarHBondContact N-O 2.9Å; V243-S274 PolarHBondContact O-N 3.26Å; V243-Q276 HydrophobicContact CB-CG 4.41Å; V243-Q276 HydrophobicContact CG2-CB 4.16Å; V243-Q276 HydrophobicContact CG2-CG 3.9Å
244P89.4Confident88Confident29 Ų2961.8 Ų61.819%0.18830%0.304CS..EExtended strand (participates in β ladder)trans-69.7150.3179.429-34.3000111.2F242 P246 L249 F272 L301 L304F242-P244 HydrophobicContact CE1-CB 4.1Å; P244-P246 WeakPolarHBondContact O-CD 3.38Å; P244-L249 HydrophobicContact CB-CD1 3.87Å; P244-L249 HydrophobicContact CG-CD1 4.02Å; P244-L249 HydrophobicContact CG-CD2 4.1Å; P244-F272 CarbonylContact C-O 3.23Å; P244-F272 WeakPolarHBondContact CA-O 3.29Å; P244-L301 HydrophobicContact CB-CD2 3.92Å; P244-L304 HydrophobicContact CB-CD1 4.47Å; P244-L304 HydrophobicContact CG-CD1 4.03Å
245N89.7Confident87.6Confident45 Ų4555.4 Ų55.424%0.24128%0.275CS..  trans-67.1117171.4-177.2-9.3000109E247 L248 L249 F272N245-E247 PolarHBondContact O-N 3.3Å; N245-E247 PolarHBondContact OD1-N 2.86Å; N245-L248 PolarHBondContact O-N 2.77Å; N245-L249 WeakPolarHBondContact O-CB 3.28Å; N245-L249 PolarHBondContact O-N 3.41Å; N245-F272 PolarHBondContact N-O 2.99Å
246P88.2Confident86.9Confident106 Ų10656.3 Ų56.369%0.68828%0.28SS*.Hα-helixtrans-60.8-32.2-174.824.4-34.8000113.1P244 L248P244-P246 WeakPolarHBondContact O-CD 3.38Å; P246-L248 VanDerWaalsContact C-N 3.3Å; P246-L248 PolarHBondContact O-N 3.09Å
247E85.5Confident86.2Confident169 Ų16960.2 Ų60.279%0.7930%0.299SS*.Hα-helixtrans-67.9-31-178.4-62.9-178.5173.700112.6N245N245-E247 PolarHBondContact O-N 3.3Å; N245-E247 PolarHBondContact OD1-N 2.86Å
248L83.8Confident85.5Confident24 Ų2465.3 Ų65.313%0.12632%0.318CS..Hα-helixtrans-103.1-12.3-176.5-58.5178000113N245 P246 E250 F251 A252 Q270 F272N245-L248 PolarHBondContact O-N 2.77Å; P246-L248 VanDerWaalsContact C-N 3.3Å; P246-L248 PolarHBondContact O-N 3.09Å; L248-E250 PolarHBondContact O-N 3.44Å; L248-F251 PolarHBondContact O-N 2.83Å; L248-A252 VanDerWaalsContact O-CB 3.27Å; L248-A252 WeakPolarHBondContact O-CB 3.17Å; L248-A252 PolarHBondContact O-N 3.36Å; L248-Q270 HydrophobicContact CD1-CB 3.71Å; L248-F272 HydrophobicContact CB-CD1 4.31Å; L248-F272 HydrophobicContact CD1-CD1 4.31Å
249L83.5Confident84.2Confident46 Ų4668.4 Ų68.424%0.24134%0.343CS..Hα-helixtrans-59-51.5-173.6179.560.8000111.1P244 N245 F251 A252 L253 L301P244-L249 HydrophobicContact CB-CD1 3.87Å; P244-L249 HydrophobicContact CG-CD1 4.02Å; P244-L249 HydrophobicContact CG-CD2 4.1Å; N245-L249 WeakPolarHBondContact O-CB 3.28Å; N245-L249 PolarHBondContact O-N 3.41Å; L249-F251 VanDerWaalsContact C-N 3.34Å; L249-F251 PolarHBondContact O-N 3.12Å; L249-A252 PolarHBondContact O-N 3.47Å; L249-L253 HydrophobicContact CD1-CD1 3.8Å; L249-L253 HydrophobicContact CD1-CD2 4.03Å; L249-L253 HydrophobicContact CD1-CG 3.82Å; L249-L253 HydrophobicContact CG-CD1 3.81Å; L249-L253 HydrophobicContact CG-CG 4.23Å; L249-L253 WeakPolarHBondContact O-CB 3.23Å; L249-L253 WeakPolarHBondContact O-CG 3.29Å; L249-L253 PolarHBondContact O-N 3Å; L249-L301 HydrophobicContact CD1-CD2 4.01Å
250E83.6Confident83Confident149 Ų14971.1 Ų71.170%0.69636%0.358SS*.Hα-helixtrans-60.2-45.8-178.3-172172.9-170.500111.7L248 A252 L253 I254L248-E250 PolarHBondContact O-N 3.44Å; E250-A252 PolarHBondContact O-N 2.76Å; E250-L253 PolarHBondContact O-N 3.03Å; E250-I254 HydrophobicContact CG-CD1 4.07Å; E250-I254 WeakPolarHBondContact O-CD1 3.23Å; E250-I254 VanDerWaalsContact O-CG1 3.25Å; E250-I254 WeakPolarHBondContact O-CG1 3.27Å; E250-I254 PolarHBondContact O-N 2.73Å
251F84.8Confident82Confident104 Ų10470.4 Ų70.446%0.45636%0.355SS..Hα-helixtrans-59.1-47.3175.4173.2-91.9000112.2L248 L249 L253 I254 C255 L265 I268L248-F251 PolarHBondContact O-N 2.83Å; L249-F251 VanDerWaalsContact C-N 3.34Å; L249-F251 PolarHBondContact O-N 3.12Å; F251-L253 PolarHBondContact O-N 2.84Å; F251-I254 PolarHBondContact O-N 2.92Å; F251-C255 VanDerWaalsContact CZ-SG 3.56Å; F251-C255 PolarHBondContact O-N 3.46Å; F251-L265 HydrophobicContact CD1-CD2 4.32Å; F251-L265 HydrophobicContact CE1-CD2 3.91Å; F251-I268 HydrophobicContact CD1-CD1 4.41Å; F251-I268 HydrophobicContact CE1-CD1 3.36Å; F251-I268 HydrophobicContact CZ-CD1 3.89Å
252A81.5Confident81.2Confident0 Ų063.4 Ų63.40%033%0.333CS..Hα-helixtrans-63.6-43.3-17900000111.8L248 L249 E250 I254 C255 L256 L265 F272 L301L248-A252 VanDerWaalsContact O-CB 3.27Å; L248-A252 WeakPolarHBondContact O-CB 3.17Å; L248-A252 PolarHBondContact O-N 3.36Å; L249-A252 PolarHBondContact O-N 3.47Å; E250-A252 PolarHBondContact O-N 2.76Å; A252-I254 VanDerWaalsContact C-N 3.33Å; A252-I254 PolarHBondContact O-N 3.4Å; A252-C255 PolarHBondContact O-N 2.96Å; A252-L256 WeakPolarHBondContact O-CB 3.46Å; A252-L256 VanDerWaalsContact O-CG 3.28Å; A252-L256 WeakPolarHBondContact O-CG 3.37Å; A252-L256 PolarHBondContact O-N 3.4Å; A252-L265 HydrophobicContact CB-CD1 4.03Å; A252-L265 HydrophobicContact CB-CD2 4.15Å; A252-F272 HydrophobicContact CB-CD1 4.29Å; A252-F272 HydrophobicContact CB-CE1 4.39Å; A252-L301 HydrophobicContact CB-CD1 3.8Å
253L81.3Confident80.4Confident25 Ų2564 Ų6413%0.13134%0.342CS..Hα-helixtrans-64.1-37176.8-62.3174000111.9L249 E250 F251 N257 L305L249-L253 HydrophobicContact CD1-CD1 3.8Å; L249-L253 HydrophobicContact CD1-CD2 4.03Å; L249-L253 HydrophobicContact CD1-CG 3.82Å; L249-L253 HydrophobicContact CG-CD1 3.81Å; L249-L253 HydrophobicContact CG-CG 4.23Å; L249-L253 WeakPolarHBondContact O-CB 3.23Å; L249-L253 WeakPolarHBondContact O-CG 3.29Å; L249-L253 PolarHBondContact O-N 3Å; E250-L253 PolarHBondContact O-N 3.03Å; F251-L253 PolarHBondContact O-N 2.84Å; L253-N257 PolarHBondContact O-N 3.32Å; L253-N257 PolarHBondContact O-ND2 3.03Å; L253-L305 HydrophobicContact CB-CD2 4.2Å; L253-L305 HydrophobicContact CD2-CD1 3.89Å; L253-L305 HydrophobicContact CD2-CD2 3.33Å; L253-L305 HydrophobicContact CD2-CG 3.35Å; L253-L305 HydrophobicContact CG-CD2 4.23Å
254I82.7Confident79.6Confident89 Ų8966.5 Ų66.546%0.45635%0.349SS..Hα-helixtrans-64.8-45.5174.5-69164.6000110.8E250 F251 A252 N257E250-I254 HydrophobicContact CG-CD1 4.07Å; E250-I254 WeakPolarHBondContact O-CD1 3.23Å; E250-I254 VanDerWaalsContact O-CG1 3.25Å; E250-I254 WeakPolarHBondContact O-CG1 3.27Å; E250-I254 PolarHBondContact O-N 2.73Å; F251-I254 PolarHBondContact O-N 2.92Å; A252-I254 VanDerWaalsContact C-N 3.33Å; A252-I254 PolarHBondContact O-N 3.4Å; I254-N257 PolarHBondContact O-N 3.25Å
255C81Confident79.2Confident13 Ų1365.1 Ų65.19%0.08834%0.34CS..Hα-helixtrans-58.5-50.3176.1-78.50000111.4F251 A252 N257 R258 G261 L265F251-C255 VanDerWaalsContact CZ-SG 3.56Å; F251-C255 PolarHBondContact O-N 3.46Å; A252-C255 PolarHBondContact O-N 2.96Å; C255-N257 PolarHBondContact O-N 2.87Å; C255-R258 WeakPolarHBondContact O-CB 3.39Å; C255-R258 PolarHBondContact O-N 3.46Å; C255-G261 WeakPolarHBondContact O-CA 3.35Å; C255-L265 HydrophobicContact CB-CD2 3.91Å; C255-L265 HydrophobicContact CB-CG 4.15Å
256L78.6Confident78.7Confident25 Ų2564.8 Ų64.813%0.13134%0.338CS..Hα-helixtrans-64.5-18.2-175.9-72.7174000114.8A252 R258 A262 L265 V298 L301 V302 L305A252-L256 WeakPolarHBondContact O-CB 3.46Å; A252-L256 VanDerWaalsContact O-CG 3.28Å; A252-L256 WeakPolarHBondContact O-CG 3.37Å; A252-L256 PolarHBondContact O-N 3.4Å; L256-R258 PolarHBondContact O-N 2.9Å; L256-A262 HydrophobicContact CD2-CB 3.94Å; L256-L265 HydrophobicContact CD1-CD1 4.04Å; L256-L265 HydrophobicContact CD2-CD1 3.75Å; L256-L265 HydrophobicContact CG-CD1 3.64Å; L256-V298 HydrophobicContact CD2-CG1 4.34Å; L256-L301 HydrophobicContact CD1-CB 3.74Å; L256-V302 HydrophobicContact CD1-CG2 3.95Å; L256-V302 HydrophobicContact CD2-CG2 3.6Å; L256-V302 HydrophobicContact CG-CG2 4.35Å; L256-L305 HydrophobicContact CB-CD1 3.3Å; L256-L305 HydrophobicContact CD1-CD1 3.54Å; L256-L305 HydrophobicContact CG-CD1 4.04Å
257N76.1Confident78.3Confident102 Ų10267.2 Ų67.255%0.54534%0.34SS..THydrogen-bonded Turntrans-75.5-9.4171.4-77.2-50.9000113.2L253 I254 C255 K309L253-N257 PolarHBondContact O-N 3.32Å; L253-N257 PolarHBondContact O-ND2 3.03Å; I254-N257 PolarHBondContact O-N 3.25Å; C255-N257 PolarHBondContact O-N 2.87Å; N257-K309 PolarHBondContact OD1-NZ 3.35Å
258R77Confident78.1Confident157 Ų15761.2 Ų61.259%0.59231%0.313SS*.SBendtrans-94.1148.8173.9-56.5179178.9175.6-2109.5C255 L256 D260 G261C255-R258 WeakPolarHBondContact O-CB 3.39Å; C255-R258 PolarHBondContact O-N 3.46Å; L256-R258 PolarHBondContact O-N 2.9Å; R258-D260 PolarHBondContact O-N 3.2Å; R258-D260 VanDerWaalsContact O-N 3.17Å; R258-G261 PolarHBondContact O-N 3.44Å
259A64.2Low77.8Confident70 Ų7067 Ų6758%0.57934%0.344SS*.THydrogen-bonded Turntrans-54.5-37.4-176.200000113.8
260D67.5Low77.8Confident93 Ų9369.8 Ų69.850%0.49736%0.356SS..THydrogen-bonded Turntrans-10218.7179.3-52.6-34.6000113R258 A262 G263 K264R258-D260 PolarHBondContact O-N 3.2Å; R258-D260 VanDerWaalsContact O-N 3.17Å; D260-A262 PolarHBondContact O-N 2.71Å; D260-G263 PolarHBondContact O-N 2.94Å; D260-K264 PolarHBondContact O-N 3.14Å
261G71Confident77.9Confident0 Ų067.2 Ų67.20%035%0.35CS..Hα-helixtrans-58.7-44.2-17300000113.9C255 R258 K264 L265C255-G261 WeakPolarHBondContact O-CA 3.35Å; R258-G261 PolarHBondContact O-N 3.44Å; G261-K264 PolarHBondContact O-N 3.26Å; G261-L265 WeakPolarHBondContact O-CG 2.94Å; G261-L265 PolarHBondContact O-N 3.04Å
262A72.9Confident77.9Confident21 Ų2162.4 Ų62.417%0.17433%0.329CS..Hα-helixtrans-65.1-43.6-177.600000111.9L256 D260 K264 L265 L266 V298L256-A262 HydrophobicContact CD2-CB 3.94Å; D260-A262 PolarHBondContact O-N 2.71Å; A262-K264 VanDerWaalsContact C-N 3.33Å; A262-K264 PolarHBondContact O-N 2.77Å; A262-L265 PolarHBondContact O-N 2.9Å; A262-L265 VanDerWaalsContact O-N 3.12Å; A262-L266 PolarHBondContact O-N 3.35Å; A262-V298 HydrophobicContact CB-CG1 3.94Å
263G73.4Confident78.2Confident24 Ų2463 Ų6325%0.24734%0.336CS..Hα-helixtrans-58.6-43.7176.800000112.4D260 L265 L266D260-G263 PolarHBondContact O-N 2.94Å; G263-L265 VanDerWaalsContact C-N 3.28Å; G263-L265 PolarHBondContact O-N 3.16Å; G263-L266 WeakPolarHBondContact O-CB 3.38Å; G263-L266 PolarHBondContact O-N 3.29Å; G263-L266 VanDerWaalsContact O-N 3.13Å
264K76.7Confident78.5Confident106 Ų10664.9 Ų64.946%0.46135%0.351SS..Hα-helixtrans-63.8-30.9176.9-69.4-177-179.8-176.90113.6D260 G261 A262 L266D260-K264 PolarHBondContact O-N 3.14Å; G261-K264 PolarHBondContact O-N 3.26Å; A262-K264 VanDerWaalsContact C-N 3.33Å; A262-K264 PolarHBondContact O-N 2.77Å; K264-L266 VanDerWaalsContact C-N 3.34Å
265L80.5Confident78.8Confident0 Ų061.9 Ų61.90%034%0.335CS..Hα-helixtrans-71-32176.1-67.8-179.1000112.1F251 A252 C255 L256 G261 A262 G263 E267 I268 F272 V298 L301F251-L265 HydrophobicContact CD1-CD2 4.32Å; F251-L265 HydrophobicContact CE1-CD2 3.91Å; A252-L265 HydrophobicContact CB-CD1 4.03Å; A252-L265 HydrophobicContact CB-CD2 4.15Å; C255-L265 HydrophobicContact CB-CD2 3.91Å; C255-L265 HydrophobicContact CB-CG 4.15Å; L256-L265 HydrophobicContact CD1-CD1 4.04Å; L256-L265 HydrophobicContact CD2-CD1 3.75Å; L256-L265 HydrophobicContact CG-CD1 3.64Å; G261-L265 WeakPolarHBondContact O-CG 2.94Å; G261-L265 PolarHBondContact O-N 3.04Å; A262-L265 PolarHBondContact O-N 2.9Å; A262-L265 VanDerWaalsContact O-N 3.12Å; G263-L265 VanDerWaalsContact C-N 3.28Å; G263-L265 PolarHBondContact O-N 3.16Å; L265-E267 PolarHBondContact O-N 3.23Å; L265-I268 HydrophobicContact CD2-CD1 4.01Å; L265-I268 PolarHBondContact O-N 2.86Å; L265-F272 HydrophobicContact CB-CE2 4.02Å; L265-F272 HydrophobicContact CB-CZ 3.78Å; L265-F272 HydrophobicContact CD2-CE1 3.85Å; L265-F272 HydrophobicContact CD2-CZ 3.77Å; L265-F272 HydrophobicContact CG-CZ 4.27Å; L265-F272 VanDerWaalsContact O-CE2 3.28Å; L265-F272 WeakPolarHBondContact O-CE2 3.45Å; L265-F272 WeakPolarHBondContact O-CZ 3.26Å; L265-V298 HydrophobicContact CB-CG2 3.88Å; L265-V298 HydrophobicContact CD1-CG1 4.41Å; L265-L301 HydrophobicContact CD1-CD1 4.43Å
266L78.7Confident79.3Confident37 Ų3765.9 Ų65.919%0.19435%0.352CS..Hα-helixtrans-66.1-27.8177.9-64171.9000112.6A262 G263 K264 I268 K294 E295 V298A262-L266 PolarHBondContact O-N 3.35Å; G263-L266 WeakPolarHBondContact O-CB 3.38Å; G263-L266 PolarHBondContact O-N 3.29Å; G263-L266 VanDerWaalsContact O-N 3.13Å; K264-L266 VanDerWaalsContact C-N 3.34Å; L266-I268 VanDerWaalsContact C-N 3.25Å; L266-I268 PolarHBondContact O-N 3.13Å; L266-K294 HydrophobicContact CD2-CB 4.18Å; L266-E295 HydrophobicContact CD1-CG 4.48Å; L266-E295 HydrophobicContact CD2-CB 4.47Å; L266-E295 HydrophobicContact CD2-CG 3.91Å; L266-V298 HydrophobicContact CD2-CB 4.37Å; L266-V298 HydrophobicContact CD2-CG2 3.84Å; L266-V298 HydrophobicContact CG-CG2 4.42Å
267E79.5Confident79.8Confident158 Ų15868.4 Ų68.474%0.73837%0.37SS*.THydrogen-bonded Turntrans-73-13.2176.2-64.4178.8175.800113.6L265L265-E267 PolarHBondContact O-N 3.23Å
268I81.3Confident80.5Confident42 Ų4266.4 Ų66.422%0.21536%0.361CS..  trans-86.8131-175.9-60.9174.4000110.3F251 L265 L266 Q270 F272 K294F251-I268 HydrophobicContact CD1-CD1 4.41Å; F251-I268 HydrophobicContact CE1-CD1 3.36Å; F251-I268 HydrophobicContact CZ-CD1 3.89Å; L265-I268 HydrophobicContact CD2-CD1 4.01Å; L265-I268 PolarHBondContact O-N 2.86Å; L266-I268 VanDerWaalsContact C-N 3.25Å; L266-I268 PolarHBondContact O-N 3.13Å; I268-Q270 HydrophobicContact CG2-CB 4.05Å; I268-Q270 HydrophobicContact CG2-CG 4.22Å; I268-Q270 PolarHBondContact O-N 2.84Å; I268-Q270 VanDerWaalsContact O-N 3.11Å; I268-F272 HydrophobicContact CB-CZ 4.05Å; I268-F272 HydrophobicContact CD1-CZ 4.28Å; I268-F272 HydrophobicContact CG2-CZ 4.33Å; I268-K294 PolarHBondContact O-NZ 3.25Å
269D78.4Confident81Confident145 Ų14563 Ų6378%0.77537%0.367SS*.  trans-86.846.6179.6-74.9-26.4000113.7K294D269-K294 IonicContact OD1-NZ 3.24Å; D269-K294 PolarHBondContact OD1-NZ 2.59Å
270Q82.5Confident82.2Confident105 Ų10563.9 Ų63.949%0.49136%0.362SS..SBendtrans-134151.8175.6-64.9-180-12.800110.5L248 I268L248-Q270 HydrophobicContact CD1-CB 3.71Å; I268-Q270 HydrophobicContact CG2-CB 4.05Å; I268-Q270 HydrophobicContact CG2-CG 4.22Å; I268-Q270 PolarHBondContact O-N 2.84Å; I268-Q270 VanDerWaalsContact O-N 3.11Å
271T85.2Confident83.3Confident96 Ų9660.3 Ų60.359%0.58934%0.344SS*.  trans-82.6126.9173.950.30000109.7G273T271-G273 VanDerWaalsContact C-N 3.33Å
272F85Confident84.3Confident3 Ų360.5 Ų60.51%0.01335%0.345CS..  trans-83.9-11.1-177.1-69.1-67.7000113.4P244 N245 L248 A252 L265 I268 Q297 V298 L301P244-F272 CarbonylContact C-O 3.23Å; P244-F272 WeakPolarHBondContact CA-O 3.29Å; N245-F272 PolarHBondContact N-O 2.99Å; L248-F272 HydrophobicContact CB-CD1 4.31Å; L248-F272 HydrophobicContact CD1-CD1 4.31Å; A252-F272 HydrophobicContact CB-CD1 4.29Å; A252-F272 HydrophobicContact CB-CE1 4.39Å; L265-F272 HydrophobicContact CB-CE2 4.02Å; L265-F272 HydrophobicContact CB-CZ 3.78Å; L265-F272 HydrophobicContact CD2-CE1 3.85Å; L265-F272 HydrophobicContact CD2-CZ 3.77Å; L265-F272 HydrophobicContact CG-CZ 4.27Å; L265-F272 VanDerWaalsContact O-CE2 3.28Å; L265-F272 WeakPolarHBondContact O-CE2 3.45Å; L265-F272 WeakPolarHBondContact O-CZ 3.26Å; I268-F272 HydrophobicContact CB-CZ 4.05Å; I268-F272 HydrophobicContact CD1-CZ 4.28Å; I268-F272 HydrophobicContact CG2-CZ 4.33Å; F272-Q297 HydrophobicContact CB-CB 4.35Å; F272-V298 HydrophobicContact CD2-CG2 4.18Å; F272-V298 HydrophobicContact CE2-CG2 4.13Å; F272-L301 HydrophobicContact CB-CD1 3.65Å; F272-L301 HydrophobicContact CB-CG 4.42Å; F272-L301 HydrophobicContact CD1-CD1 4.02Å; F272-L301 HydrophobicContact CD2-CD1 4.47Å; F272-L301 HydrophobicContact CG-CD1 3.79Å
273G87.6Confident85.1Confident13 Ų1365.7 Ų65.713%0.13437%0.366CS..EExtended strand (participates in β ladder)trans167.2-178.5178.300000112.2V243 T271V243-G273 CarbonylContact O-C 3.56Å; V243-G273 WeakPolarHBondContact O-CA 3.5Å; T271-G273 VanDerWaalsContact C-N 3.33Å
274S89Confident85.7Confident64 Ų6468.5 Ų68.545%0.44837%0.369SS..EExtended strand (participates in β ladder)trans-140.1155.417761.70000111.2V243V243-S274 PolarHBondContact N-O 2.9Å; V243-S274 PolarHBondContact O-N 3.26Å
275F89.6Confident86.3Confident26 Ų2669.8 Ų69.811%0.11438%0.381CS..EExtended strand (participates in β ladder)trans-83.6133.1172.7-77.9-85.2000110.2F240 R241 F242 W284 V292 M296 Q300 F435F240-F275 HydrophobicContact CB-CB 4.2Å; F240-F275 HydrophobicContact CB-CD1 4.04Å; R241-F275 CarbonylContact O-C 3.56Å; R241-F275 WeakPolarHBondContact O-CA 3.27Å; F242-F275 HydrophobicContact CB-CD1 4.05Å; F242-F275 HydrophobicContact CB-CE1 3.74Å; F242-F275 HydrophobicContact CB-CZ 4.09Å; F242-F275 HydrophobicContact CD2-CD2 4.07Å; F242-F275 HydrophobicContact CD2-CE1 4.43Å; F242-F275 AromaticContact CD2-CE2 3.89Å; F242-F275 HydrophobicContact CD2-CE2 3.89Å; F242-F275 HydrophobicContact CD2-CG 4.45Å; F242-F275 HydrophobicContact CD2-CZ 4.09Å; F242-F275 HydrophobicContact CG-CZ 4.49Å; F275-W284 HydrophobicContact CB-CE3 4.32Å; F275-W284 HydrophobicContact CB-CH2 3.91Å; F275-W284 HydrophobicContact CB-CZ3 3.56Å; F275-W284 HydrophobicContact CD2-CH2 4.26Å; F275-W284 HydrophobicContact CG-CH2 4.22Å; F275-W284 HydrophobicContact CG-CZ3 4.16Å; F275-V292 HydrophobicContact CD2-CG1 4.14Å; F275-V292 HydrophobicContact CD2-CG2 3.9Å; F275-V292 HydrophobicContact CE2-CG1 3.87Å; F275-V292 HydrophobicContact CE2-CG2 4.32Å; F275-M296 HydrophobicContact CE2-CE 4.11Å; F275-M296 HydrophobicContact CE2-CG 4.48Å; F275-M296 HydrophobicContact CE2-SD 4.23Å; F275-M296 HydrophobicContact CZ-CE 3.92Å; F275-Q300 HydrophobicContact CE1-CG 4.48Å; F275-Q300 HydrophobicContact CE2-CG 4.35Å; F275-Q300 HydrophobicContact CZ-CG 3.67Å; F275-F435 HydrophobicContact CD1-CE1 4.01Å; F275-F435 HydrophobicContact CD1-CZ 4.24Å; F275-F435 HydrophobicContact CD2-CE1 4.12Å; F275-F435 AromaticContact CE1-CE1 3.86Å; F275-F435 HydrophobicContact CE1-CE1 3.86Å; F275-F435 HydrophobicContact CE1-CZ 4.19Å; F275-F435 AromaticContact CE2-CE1 3.97Å; F275-F435 HydrophobicContact CE2-CE1 3.97Å; F275-F435 HydrophobicContact CG-CE1 4.12Å; F275-F435 AromaticContact CZ-CE1 3.83Å; F275-F435 HydrophobicContact CZ-CE1 3.83Å
276Q89.7Confident86.8Confident97 Ų9772 Ų7245%0.45339%0.39SS..EExtended strand (participates in β ladder)trans-120140.8177.8-63.7-174.62.700110.9F240 R241 V243F240-Q276 WeakPolarHBondContact CA-O 3.43Å; R241-Q276 PolarHBondContact N-O 3.2Å; R241-Q276 PolarHBondContact O-N 3.2Å; V243-Q276 HydrophobicContact CB-CG 4.41Å; V243-Q276 HydrophobicContact CG2-CB 4.16Å; V243-Q276 HydrophobicContact CG2-CG 3.9Å
277P89.4Confident87.4Confident77 Ų7770.8 Ų70.850%0.538%0.383SS..EExtended strand (participates in β ladder)trans-65140175.825.6-32.2000111.8F240 S281F240-P277 HydrophobicContact CD1-CB 4.36Å; F240-P277 HydrophobicContact CE1-CB 4.37Å; P277-S281 VanDerWaalsContact CA-OG 3.25Å; P277-S281 WeakPolarHBondContact CA-OG 3.29Å; P277-S281 WeakPolarHBondContact CB-OG 3.49Å
278T90.5Very high88Confident61 Ų6168.1 Ų68.137%0.37438%0.379SS..  trans-98.3-178.4171.566.60000111.6L239 R241 N280 S281L239-T278 PolarHBondContact N-OG1 3.31Å; L239-T278 PolarHBondContact O-N 3.43Å; L239-T278 VanDerWaalsContact O-N 3.13Å; L239-T278 PolarHBondContact O-OG1 2.9Å; R241-T278 HydrophobicContact CB-CG2 3.92Å; T278-N280 PolarHBondContact O-N 3.48Å; T278-S281 PolarHBondContact N-OG 3.16Å; T278-S281 VanDerWaalsContact N-OG 3.11Å; T278-S281 WeakPolarHBondContact O-CB 2.99Å; T278-S281 PolarHBondContact O-N 2.93Å; T278-S281 VanDerWaalsContact O-N 3.15Å; T278-S281 PolarHBondContact O-OG 3.28Å
279A89.1Confident88.3Confident86 Ų8667.4 Ų67.471%0.71138%0.376SS*.THydrogen-bonded Turntrans-53.2138.6169.300000110.9S281A279-S281 PolarHBondContact O-N 3.37Å; A279-S281 VanDerWaalsContact O-N 3.08Å
280N89.3Confident88.7Confident88 Ų8862.9 Ų62.947%0.47135%0.354SS..THydrogen-bonded Turntrans58.211.2-177.2-61.9-22.8000116.2S236 Y237 G238 T278S236-N280 CarbonylContact C-O 3.37Å; S236-N280 VanDerWaalsContact C-O 3.23Å; S236-N280 WeakPolarHBondContact CA-O 3.42Å; S236-N280 VanDerWaalsContact CB-O 3.27Å; S236-N280 WeakPolarHBondContact CB-O 3.47Å; Y237-N280 PolarHBondContact N-O 3.18Å; Y237-N280 PolarHBondContact OH-ND2 3.01Å; G238-N280 WeakPolarHBondContact CA-O 3.47Å; G238-N280 PolarHBondContact N-O 3.47Å; T278-N280 PolarHBondContact O-N 3.48Å
281S89.9Confident88.9Confident18 Ų1863.3 Ų63.313%0.12637%0.369CS..PPolyproline II helixtrans-75.5148.8174.268.20000110.5L239 P277 T278 A279L239-S281 VanDerWaalsContact O-CB 3.3Å; L239-S281 WeakPolarHBondContact O-CB 3.36Å; P277-S281 VanDerWaalsContact CA-OG 3.25Å; P277-S281 WeakPolarHBondContact CA-OG 3.29Å; P277-S281 WeakPolarHBondContact CB-OG 3.49Å; T278-S281 PolarHBondContact N-OG 3.16Å; T278-S281 VanDerWaalsContact N-OG 3.11Å; T278-S281 WeakPolarHBondContact O-CB 2.99Å; T278-S281 PolarHBondContact O-N 2.93Å; T278-S281 VanDerWaalsContact O-N 3.15Å; T278-S281 PolarHBondContact O-OG 3.28Å; A279-S281 PolarHBondContact O-N 3.37Å; A279-S281 VanDerWaalsContact O-N 3.08Å
282P92.5Very high88.8Confident4 Ų460.7 Ų60.73%0.02635%0.353CS..PPolyproline II helixtrans-65.1160.7167.728-31.7000110.9F240 R286 N477 N479F240-P282 WeakPolarHBondContact CE1-O 3.42Å; F240-P282 HydrophobicContact CE2-CG 4.43Å; F240-P282 HydrophobicContact CZ-CG 3.97Å; F240-P282 WeakPolarHBondContact CZ-O 3.12Å; P282-R286 HydrophobicContact CB-CB 4.39Å; P282-R286 VanDerWaalsContact CB-CD 3.44Å; P282-N477 WeakPolarHBondContact CD-ND2 3.17Å; P282-N477 HydrophobicContact CG-CB 4.48Å; P282-N479 HydrophobicContact CG-CB 4.08Å; P282-N479 WeakPolarHBondContact CG-ND2 3.39Å
283E90.2Very high88.8Confident130 Ų13061.8 Ų61.861%0.60736%0.361SS*.PPolyproline II helixtrans-61.5145167.2-61.1-59.9154.500110.6D285 R286E283-D285 WeakPolarHBondContact CB-OD1 3.47Å; E283-D285 PolarHBondContact O-N 3.02Å; E283-R286 WeakPolarHBondContact O-CB 3.26Å; E283-R286 PolarHBondContact O-N 2.97Å; E283-R286 VanDerWaalsContact O-N 3.11Å
284W85.8Confident88.6Confident83 Ų8364.4 Ų64.431%0.31437%0.368SS..THydrogen-bonded Turntrans-61.5-32.5-177.5-175.6-92.1000112.7F240 F275 L289 V292 F435F240-W284 HydrophobicContact CB-CE3 4.41Å; F240-W284 HydrophobicContact CB-CZ3 3.96Å; F240-W284 AromaticContact CD1-CE3 3.68Å; F240-W284 HydrophobicContact CD1-CE3 3.68Å; F240-W284 HydrophobicContact CD1-CZ3 4.09Å; F240-W284 AromaticContact CD2-CE3 3.91Å; F240-W284 HydrophobicContact CD2-CE3 3.91Å; F240-W284 AromaticContact CD2-CZ3 3.74Å; F240-W284 HydrophobicContact CD2-CZ3 3.74Å; F240-W284 HydrophobicContact CE1-CB 4.43Å; F240-W284 AromaticContact CE1-CE3 3.78Å; F240-W284 HydrophobicContact CE1-CE3 3.78Å; F240-W284 HydrophobicContact CE2-CE3 4Å; F240-W284 HydrophobicContact CE2-CZ3 4.21Å; F240-W284 AromaticContact CG-CE3 3.74Å; F240-W284 HydrophobicContact CG-CE3 3.74Å; F240-W284 AromaticContact CG-CZ3 3.67Å; F240-W284 HydrophobicContact CG-CZ3 3.67Å; F240-W284 AromaticContact CZ-CE3 3.94Å; F240-W284 HydrophobicContact CZ-CE3 3.94Å; F275-W284 HydrophobicContact CB-CE3 4.32Å; F275-W284 HydrophobicContact CB-CH2 3.91Å; F275-W284 HydrophobicContact CB-CZ3 3.56Å; F275-W284 HydrophobicContact CD2-CH2 4.26Å; F275-W284 HydrophobicContact CG-CH2 4.22Å; F275-W284 HydrophobicContact CG-CZ3 4.16Å; W284-L289 HydrophobicContact CD2-CD1 4.45Å; W284-L289 HydrophobicContact CH2-CD1 4.42Å; W284-L289 HydrophobicContact CZ2-CD1 4.3Å; W284-V292 HydrophobicContact CH2-CG2 4.03Å; W284-V292 HydrophobicContact CZ2-CG2 3.87Å; W284-F435 AromaticContact CH2-CD1 3.82Å; W284-F435 HydrophobicContact CH2-CD1 3.82Å; W284-F435 AromaticContact CH2-CE1 3.78Å; W284-F435 HydrophobicContact CH2-CE1 3.78Å; W284-F435 HydrophobicContact CH2-CG 4.48Å; W284-F435 HydrophobicContact CH2-CZ 4.41Å; W284-F435 HydrophobicContact CZ3-CD1 4.45Å; W284-F435 HydrophobicContact CZ3-CE1 4.05Å; W284-F435 HydrophobicContact CZ3-CZ 4.25Å
285D88.8Confident88.4Confident133 Ų13362.8 Ų62.871%0.71135%0.354SS*.THydrogen-bonded Turntrans-90.34.8179.969.5-25.9000113.7E283 I287E283-D285 WeakPolarHBondContact CB-OD1 3.47Å; E283-D285 PolarHBondContact O-N 3.02Å; D285-I287 PolarHBondContact O-N 3.42Å
286R91.2Very high88.2Confident47 Ų4762.5 Ų62.518%0.17735%0.353CS..SBendtrans-55.6-36.2178.8-178.7176.4-177.6-100.48.1112.4P282 E283 N479 Y480 D494P282-R286 HydrophobicContact CB-CB 4.39Å; P282-R286 VanDerWaalsContact CB-CD 3.44Å; E283-R286 WeakPolarHBondContact O-CB 3.26Å; E283-R286 PolarHBondContact O-N 2.97Å; E283-R286 VanDerWaalsContact O-N 3.11Å; R286-N479 WeakPolarHBondContact CD-OD1 3.02Å; R286-N479 PolarHBondContact NH1-OD1 2.78Å; R286-N479 VanDerWaalsContact NH1-OD1 3.11Å; R286-Y480 PolarHBondContact NH2-OH 2.61Å; R286-D494 IonicContact CZ-OD1 3.66Å; R286-D494 IonicContact CZ-OD2 3.14Å; R286-D494 IonicContact NH1-OD1 3.7Å; R286-D494 PolarHBondContact NH1-OD1 3.1Å; R286-D494 IonicContact NH1-OD2 3.61Å; R286-D494 IonicContact NH2-OD1 2.92Å; R286-D494 PolarHBondContact NH2-OD1 3.05Å; R286-D494 IonicContact NH2-OD2 3.51Å; R286-D494 PolarHBondContact NH2-OD2 3.36Å
287I91.7Very high88.1Confident11 Ų1158.5 Ų58.56%0.05633%0.334CS..SBendtrans-130.8151.6169.261.1169.4000108.8D285 L289 S478 L495 R496D285-I287 PolarHBondContact O-N 3.42Å; I287-L289 HydrophobicContact CD1-CD2 3.75Å; I287-L289 HydrophobicContact CD1-CG 4.38Å; I287-L289 HydrophobicContact CG1-CD2 3.96Å; I287-L289 HydrophobicContact CG1-CG 4.04Å; I287-L289 PolarHBondContact O-N 3.32Å; I287-S478 WeakPolarHBondContact CD1-O 3.15Å; I287-L495 HydrophobicContact CD1-CD1 4.25Å; I287-R496 HydrophobicContact CG2-CB 4.13Å
288P91.1Very high87.9Confident101 Ų10155 Ų5566%0.65631%0.312SS*.  trans-7498.2178.919.5-16000109.7Y438P288-Y438 WeakPolarHBondContact CG-OH 3.31Å; P288-Y438 WeakPolarHBondContact O-CE2 3.5Å; P288-Y438 PolarHBondContact O-OH 2.81Å
289L88.8Confident87.7Confident28 Ų2853.5 Ų53.515%0.14730%0.301CS..PPolyproline II helixtrans-87.6149.2173.3-66.3177.2000111F240 W284 I287 F435F240-L289 HydrophobicContact CE2-CD1 4.49Å; W284-L289 HydrophobicContact CD2-CD1 4.45Å; W284-L289 HydrophobicContact CH2-CD1 4.42Å; W284-L289 HydrophobicContact CZ2-CD1 4.3Å; I287-L289 HydrophobicContact CD1-CD2 3.75Å; I287-L289 HydrophobicContact CD1-CG 4.38Å; I287-L289 HydrophobicContact CG1-CD2 3.96Å; I287-L289 HydrophobicContact CG1-CG 4.04Å; I287-L289 PolarHBondContact O-N 3.32Å; L289-F435 HydrophobicContact CD1-CD2 4.41Å; L289-F435 HydrophobicContact CD1-CG 4.5Å; L289-F435 HydrophobicContact CD2-CB 4.28Å
290P87.1Confident87.7Confident49 Ų4952 Ų5232%0.31828%0.279SS..PPolyproline II helixtrans-58.7157.9170.5-21.433000112.3
291S84.7Confident87.6Confident114 Ų11447.8 Ų47.880%0.79726%0.257SS*.PPolyproline II helixtrans-64.8141.9167.753.40000110.3S293S291-S293 PolarHBondContact O-N 3.49Å; S291-S293 VanDerWaalsContact O-N 3.13Å
292V84.7Confident87.5Confident42 Ų4248.7 Ų48.726%0.25526%0.261SS..  trans-68112.6-179.5-176.70000109.1F275 W284 M296 Q297F275-V292 HydrophobicContact CD2-CG1 4.14Å; F275-V292 HydrophobicContact CD2-CG2 3.9Å; F275-V292 HydrophobicContact CE2-CG1 3.87Å; F275-V292 HydrophobicContact CE2-CG2 4.32Å; W284-V292 HydrophobicContact CH2-CG2 4.03Å; W284-V292 HydrophobicContact CZ2-CG2 3.87Å; V292-M296 HydrophobicContact CG1-CB 4.09Å; V292-M296 HydrophobicContact CG1-CG 4.18Å; V292-M296 HydrophobicContact CG1-SD 4.01Å; V292-Q297 HydrophobicContact CG1-CG 3.79Å; V292-Q297 PolarHBondContact O-NE2 2.79Å
293S84.8Confident87.2Confident26 Ų2649.4 Ų49.418%0.18227%0.268CS..  trans-64.5154.3179.166.10000111.9S291 E295 M296 Q297S291-S293 PolarHBondContact O-N 3.49Å; S291-S293 VanDerWaalsContact O-N 3.13Å; S293-E295 WeakPolarHBondContact CB-OE2 3.17Å; S293-E295 PolarHBondContact O-N 3.17Å; S293-M296 PolarHBondContact O-N 2.73Å; S293-M296 WeakPolarHBondContact OG-CB 3.41Å; S293-M296 PolarHBondContact OG-N 3.33Å; S293-M296 VanDerWaalsContact OG-N 3.13Å; S293-Q297 WeakPolarHBondContact O-CG 3.2Å; S293-Q297 PolarHBondContact O-N 3.25Å; S293-Q297 VanDerWaalsContact O-N 3.14Å
294K83.4Confident87.1Confident67 Ų6745.1 Ų45.129%0.29125%0.249SC..Hα-helixtrans-59.2-37.8174.7-72.8-168.9-176.5-176.60110.5L266 I268 D269 M296 Q297 V298L266-K294 HydrophobicContact CD2-CB 4.18Å; I268-K294 PolarHBondContact O-NZ 3.25Å; D269-K294 IonicContact OD1-NZ 3.24Å; D269-K294 PolarHBondContact OD1-NZ 2.59Å; K294-M296 VanDerWaalsContact C-N 3.35Å; K294-M296 PolarHBondContact O-N 2.8Å; K294-Q297 WeakPolarHBondContact O-CB 3.42Å; K294-Q297 PolarHBondContact O-N 2.87Å; K294-Q297 VanDerWaalsContact O-N 3.16Å; K294-V298 WeakPolarHBondContact O-CG2 3.36Å; K294-V298 PolarHBondContact O-N 3.02Å
295E83.5Confident87.2Confident30 Ų3042 Ų4214%0.1424%0.238CC..Hα-helixtrans-59.6-43.8176-65.878.2179.600111.9L266 S293 Q297 V298 N299 R395L266-E295 HydrophobicContact CD1-CG 4.48Å; L266-E295 HydrophobicContact CD2-CB 4.47Å; L266-E295 HydrophobicContact CD2-CG 3.91Å; S293-E295 WeakPolarHBondContact CB-OE2 3.17Å; S293-E295 PolarHBondContact O-N 3.17Å; E295-Q297 VanDerWaalsContact C-N 3.34Å; E295-Q297 PolarHBondContact O-N 3.35Å; E295-V298 PolarHBondContact O-N 2.83Å; E295-N299 WeakPolarHBondContact O-CB 3.44Å; E295-N299 VanDerWaalsContact O-CG 3.23Å; E295-N299 PolarHBondContact O-N 2.98Å; E295-R395 IonicContact OE1-CZ 2.65Å; E295-R395 IonicContact OE1-NH2 3.79Å; E295-R395 PolarHBondContact OE1-NH2 2.88Å; E295-R395 IonicContact OE2-CZ 2.64Å; E295-R395 IonicContact OE2-NH2 3.11Å; E295-R395 PolarHBondContact OE2-NH2 3.44Å
296M86.1Confident87.1Confident20 Ų2036.7 Ų36.710%0.09921%0.21CC..Hα-helixtrans-62.1-43.3175.4-171.4175.1-165.900110.9F275 V292 S293 K294 N299 Q300 F435F275-M296 HydrophobicContact CE2-CE 4.11Å; F275-M296 HydrophobicContact CE2-CG 4.48Å; F275-M296 HydrophobicContact CE2-SD 4.23Å; F275-M296 HydrophobicContact CZ-CE 3.92Å; V292-M296 HydrophobicContact CG1-CB 4.09Å; V292-M296 HydrophobicContact CG1-CG 4.18Å; V292-M296 HydrophobicContact CG1-SD 4.01Å; S293-M296 PolarHBondContact O-N 2.73Å; S293-M296 WeakPolarHBondContact OG-CB 3.41Å; S293-M296 PolarHBondContact OG-N 3.33Å; S293-M296 VanDerWaalsContact OG-N 3.13Å; K294-M296 VanDerWaalsContact C-N 3.35Å; K294-M296 PolarHBondContact O-N 2.8Å; M296-N299 PolarHBondContact O-N 3.09Å; M296-Q300 VanDerWaalsContact O-CG 3.27Å; M296-Q300 WeakPolarHBondContact O-CG 3.5Å; M296-Q300 PolarHBondContact O-N 2.77Å; M296-F435 HydrophobicContact CE-CD1 3.37Å; M296-F435 HydrophobicContact CE-CE1 3.61Å; M296-F435 HydrophobicContact CE-CG 4.27Å; M296-F435 HydrophobicContact SD-CD1 4.08Å
297Q87.1Confident86.9Confident14 Ų1439.1 Ų39.17%0.06522%0.223CC..Hα-helixtrans-62.2-44.7177.5-61.1175.933.900112.1F242 F272 V292 S293 K294 E295 Q300 L301F242-Q297 HydrophobicContact CE2-CB 4.25Å; F242-Q297 HydrophobicContact CE2-CG 4.14Å; F242-Q297 HydrophobicContact CZ-CB 4.21Å; F272-Q297 HydrophobicContact CB-CB 4.35Å; V292-Q297 HydrophobicContact CG1-CG 3.79Å; V292-Q297 PolarHBondContact O-NE2 2.79Å; S293-Q297 WeakPolarHBondContact O-CG 3.2Å; S293-Q297 PolarHBondContact O-N 3.25Å; S293-Q297 VanDerWaalsContact O-N 3.14Å; K294-Q297 WeakPolarHBondContact O-CB 3.42Å; K294-Q297 PolarHBondContact O-N 2.87Å; K294-Q297 VanDerWaalsContact O-N 3.16Å; E295-Q297 VanDerWaalsContact C-N 3.34Å; E295-Q297 PolarHBondContact O-N 3.35Å; Q297-Q300 PolarHBondContact O-N 3.45Å; Q297-L301 WeakPolarHBondContact O-CG 3.4Å; Q297-L301 PolarHBondContact O-N 3.15Å
298V86Confident86.7Confident3 Ų345.8 Ų45.82%0.01825%0.252CS..Hα-helixtrans-63.4-42.8176.4174.80000110.6L256 A262 L265 L266 F272 K294 E295 Q300 L301 V302L256-V298 HydrophobicContact CD2-CG1 4.34Å; A262-V298 HydrophobicContact CB-CG1 3.94Å; L265-V298 HydrophobicContact CB-CG2 3.88Å; L265-V298 HydrophobicContact CD1-CG1 4.41Å; L266-V298 HydrophobicContact CD2-CB 4.37Å; L266-V298 HydrophobicContact CD2-CG2 3.84Å; L266-V298 HydrophobicContact CG-CG2 4.42Å; F272-V298 HydrophobicContact CD2-CG2 4.18Å; F272-V298 HydrophobicContact CE2-CG2 4.13Å; K294-V298 WeakPolarHBondContact O-CG2 3.36Å; K294-V298 PolarHBondContact O-N 3.02Å; E295-V298 PolarHBondContact O-N 2.83Å; V298-Q300 VanDerWaalsContact C-N 3.3Å; V298-Q300 PolarHBondContact O-N 3.38Å; V298-L301 WeakPolarHBondContact O-CB 3.4Å; V298-L301 PolarHBondContact O-N 2.99Å; V298-L301 VanDerWaalsContact O-N 3.14Å; V298-V302 WeakPolarHBondContact O-CG2 3.42Å; V298-V302 PolarHBondContact O-N 3.18Å
299N86.6Confident86.5Confident29 Ų2946 Ų4616%0.15524%0.243CC..Hα-helixtrans-61.2-37.8176.2-75.4-9.1000112.2E295 M296 V302 A303 C392E295-N299 WeakPolarHBondContact O-CB 3.44Å; E295-N299 VanDerWaalsContact O-CG 3.23Å; E295-N299 PolarHBondContact O-N 2.98Å; M296-N299 PolarHBondContact O-N 3.09Å; N299-V302 PolarHBondContact O-N 2.98Å; N299-A303 PolarHBondContact O-N 3.26Å; N299-C392 PolarHBondContact ND2-O 3Å
300Q88.7Confident86.4Confident54 Ų5446.9 Ų46.925%0.25224%0.244SC..Hα-helixtrans-67.2-39174.2-68.2-61.1-32.600112.2F242 F275 M296 Q297 V298 V302 A303 L304F242-Q300 HydrophobicContact CB-CB 4.15Å; F242-Q300 HydrophobicContact CB-CG 4.21Å; F242-Q300 HydrophobicContact CD1-CB 3.62Å; F242-Q300 HydrophobicContact CD1-CG 4.49Å; F242-Q300 HydrophobicContact CD2-CB 4.09Å; F242-Q300 HydrophobicContact CD2-CG 4.22Å; F242-Q300 HydrophobicContact CE1-CB 3.96Å; F242-Q300 HydrophobicContact CE2-CB 4.41Å; F242-Q300 HydrophobicContact CG-CB 3.68Å; F242-Q300 HydrophobicContact CG-CG 4.06Å; F242-Q300 HydrophobicContact CZ-CB 4.34Å; F275-Q300 HydrophobicContact CE1-CG 4.48Å; F275-Q300 HydrophobicContact CE2-CG 4.35Å; F275-Q300 HydrophobicContact CZ-CG 3.67Å; M296-Q300 VanDerWaalsContact O-CG 3.27Å; M296-Q300 WeakPolarHBondContact O-CG 3.5Å; M296-Q300 PolarHBondContact O-N 2.77Å; Q297-Q300 PolarHBondContact O-N 3.45Å; V298-Q300 VanDerWaalsContact C-N 3.3Å; V298-Q300 PolarHBondContact O-N 3.38Å; Q300-V302 VanDerWaalsContact C-N 3.33Å; Q300-V302 PolarHBondContact O-N 3.28Å; Q300-A303 WeakPolarHBondContact O-CB 3.17Å; Q300-A303 PolarHBondContact O-N 3.21Å; Q300-L304 WeakPolarHBondContact O-CG 3.21Å; Q300-L304 PolarHBondContact O-N 3.23Å
301L87.4Confident86.2Confident1 Ų152.6 Ų52.61%0.00526%0.264CS..Hα-helixtrans-62.6-40.1172.8-71.3173.6000112.2F242 P244 L249 A252 L256 L265 F272 Q297 V298 A303 L304 L305F242-L301 HydrophobicContact CE1-CD2 4.03Å; F242-L301 HydrophobicContact CE1-CG 4.21Å; P244-L301 HydrophobicContact CB-CD2 3.92Å; L249-L301 HydrophobicContact CD1-CD2 4.01Å; A252-L301 HydrophobicContact CB-CD1 3.8Å; L256-L301 HydrophobicContact CD1-CB 3.74Å; L265-L301 HydrophobicContact CD1-CD1 4.43Å; F272-L301 HydrophobicContact CB-CD1 3.65Å; F272-L301 HydrophobicContact CB-CG 4.42Å; F272-L301 HydrophobicContact CD1-CD1 4.02Å; F272-L301 HydrophobicContact CD2-CD1 4.47Å; F272-L301 HydrophobicContact CG-CD1 3.79Å; Q297-L301 WeakPolarHBondContact O-CG 3.4Å; Q297-L301 PolarHBondContact O-N 3.15Å; V298-L301 WeakPolarHBondContact O-CB 3.4Å; V298-L301 PolarHBondContact O-N 2.99Å; V298-L301 VanDerWaalsContact O-N 3.14Å; L301-A303 VanDerWaalsContact C-N 3.34Å; L301-L304 PolarHBondContact O-N 3.07Å; L301-L305 PolarHBondContact O-N 3.11Å; L301-L305 VanDerWaalsContact O-N 3.11Å
302V86.9Confident86Confident36 Ų3651 Ų5122%0.21825%0.25CS..Hα-helixtrans-63.4-42.5173.4176.90000110.5L256 V298 N299 Q300 L304 L305 D306L256-V302 HydrophobicContact CD1-CG2 3.95Å; L256-V302 HydrophobicContact CD2-CG2 3.6Å; L256-V302 HydrophobicContact CG-CG2 4.35Å; V298-V302 WeakPolarHBondContact O-CG2 3.42Å; V298-V302 PolarHBondContact O-N 3.18Å; N299-V302 PolarHBondContact O-N 2.98Å; Q300-V302 VanDerWaalsContact C-N 3.33Å; Q300-V302 PolarHBondContact O-N 3.28Å; V302-L304 VanDerWaalsContact C-N 3.32Å; V302-L304 PolarHBondContact O-N 3.12Å; V302-L305 WeakPolarHBondContact O-CB 3.15Å; V302-L305 PolarHBondContact O-N 2.86Å; V302-L305 VanDerWaalsContact O-N 3.09Å; V302-D306 PolarHBondContact O-N 2.98Å
303A87.8Confident85.7Confident19 Ų1950.7 Ų50.716%0.15725%0.247CC..Hα-helixtrans-59.4-42176.300000112.1N299 Q300 L301 L305 D306 E307N299-A303 PolarHBondContact O-N 3.26Å; Q300-A303 WeakPolarHBondContact O-CB 3.17Å; Q300-A303 PolarHBondContact O-N 3.21Å; L301-A303 VanDerWaalsContact C-N 3.34Å; A303-L305 VanDerWaalsContact C-N 3.32Å; A303-L305 PolarHBondContact O-N 3.49Å; A303-D306 PolarHBondContact O-N 3.14Å; A303-E307 WeakPolarHBondContact O-CB 3.4Å; A303-E307 PolarHBondContact O-N 2.99Å
304L87.5Confident84.9Confident41 Ų4155.8 Ų55.822%0.21527%0.268CS..Hα-helixtrans-63.6-34.3174.5-69.8174.3000112.8F242 P244 Q300 L301 V302 K308F242-L304 HydrophobicContact CD1-CD1 4.13Å; P244-L304 HydrophobicContact CB-CD1 4.47Å; P244-L304 HydrophobicContact CG-CD1 4.03Å; Q300-L304 WeakPolarHBondContact O-CG 3.21Å; Q300-L304 PolarHBondContact O-N 3.23Å; L301-L304 PolarHBondContact O-N 3.07Å; V302-L304 VanDerWaalsContact C-N 3.32Å; V302-L304 PolarHBondContact O-N 3.12Å; L304-K308 WeakPolarHBondContact O-CG 3.43Å; L304-K308 PolarHBondContact O-N 3.21Å
305L87Confident84.2Confident17 Ų1757.6 Ų57.69%0.08928%0.28CS..Hα-helixtrans-68.3-42.4173.3-81.7170.1000112.4L253 L256 L301 V302 A303 E307 K308 K309L253-L305 HydrophobicContact CB-CD2 4.2Å; L253-L305 HydrophobicContact CD2-CD1 3.89Å; L253-L305 HydrophobicContact CD2-CD2 3.33Å; L253-L305 HydrophobicContact CD2-CG 3.35Å; L253-L305 HydrophobicContact CG-CD2 4.23Å; L256-L305 HydrophobicContact CB-CD1 3.3Å; L256-L305 HydrophobicContact CD1-CD1 3.54Å; L256-L305 HydrophobicContact CG-CD1 4.04Å; L301-L305 PolarHBondContact O-N 3.11Å; L301-L305 VanDerWaalsContact O-N 3.11Å; V302-L305 WeakPolarHBondContact O-CB 3.15Å; V302-L305 PolarHBondContact O-N 2.86Å; V302-L305 VanDerWaalsContact O-N 3.09Å; A303-L305 VanDerWaalsContact C-N 3.32Å; A303-L305 PolarHBondContact O-N 3.49Å; L305-E307 VanDerWaalsContact C-N 3.33Å; L305-K308 PolarHBondContact O-N 3.1Å; L305-K309 WeakPolarHBondContact O-CG 3.37Å; L305-K309 PolarHBondContact O-N 3.39Å
306D86.9Confident83.3Confident22 Ų2260.4 Ų60.412%0.11830%0.296CS..Hα-helixtrans-68.5-34.9177.5-76.4-35.4000111.8V302 A303 K308 K309 R310 R604 R605V302-D306 PolarHBondContact O-N 2.98Å; A303-D306 PolarHBondContact O-N 3.14Å; D306-K308 PolarHBondContact O-N 3.45Å; D306-K309 CarbonylContact O-C 3.47Å; D306-K309 PolarHBondContact O-N 3.47Å; D306-K309 VanDerWaalsContact O-N 3.1Å; D306-R310 PolarHBondContact O-N 3.14Å; D306-R604 HydrophobicContact CB-CB 3.83Å; D306-R605 HydrophobicContact CB-CG 4.29Å; D306-R605 IonicContact OD1-CZ 2.72Å; D306-R605 VanDerWaalsContact OD1-CZ 3.24Å; D306-R605 IonicContact OD1-NE 2.74Å; D306-R605 PolarHBondContact OD1-NE 2.64Å; D306-R605 IonicContact OD1-NH2 2.68Å; D306-R605 PolarHBondContact OD1-NH2 3.3Å
307E88.1Confident81.9Confident97 Ų9765.2 Ų65.245%0.45333%0.329SS..Hα-helixtrans-58.2-45.4171.4-171.8-174.8176.900111.1A303 L305 K309 R310A303-E307 WeakPolarHBondContact O-CB 3.4Å; A303-E307 PolarHBondContact O-N 2.99Å; L305-E307 VanDerWaalsContact C-N 3.33Å; E307-K309 PolarHBondContact O-N 3.21Å; E307-R310 WeakPolarHBondContact O-CB 3.39Å; E307-R310 PolarHBondContact O-N 3.48Å; E307-R310 VanDerWaalsContact O-N 3.12Å
308K86.7Confident81Confident151 Ų15173.6 Ų73.666%0.65737%0.365SS*.Hα-helixtrans-62.9-28.4175.2-71.9179.7-178.3-177.90113.6L304 L305 D306L304-K308 WeakPolarHBondContact O-CG 3.43Å; L304-K308 PolarHBondContact O-N 3.21Å; L305-K308 PolarHBondContact O-N 3.1Å; D306-K308 PolarHBondContact O-N 3.45Å
309K86.1Confident80.4Confident107 Ų10774.9 Ų74.947%0.46537%0.371SS..Hα-helixtrans-92.6-7.1178.8-67.1175-176.4172.60112.5N257 L305 D306 E307N257-K309 PolarHBondContact OD1-NZ 3.35Å; L305-K309 WeakPolarHBondContact O-CG 3.37Å; L305-K309 PolarHBondContact O-N 3.39Å; D306-K309 CarbonylContact O-C 3.47Å; D306-K309 PolarHBondContact O-N 3.47Å; D306-K309 VanDerWaalsContact O-N 3.1Å; E307-K309 PolarHBondContact O-N 3.21Å
310R87.3Confident79.9Confident46 Ų4677.3 Ų77.317%0.17439%0.39CS..PPolyproline II helixtrans-65.8135.4-177-174.9-176.1-64.4171.21.5109.4D306 E307 M560 R604 N606D306-R310 PolarHBondContact O-N 3.14Å; E307-R310 WeakPolarHBondContact O-CB 3.39Å; E307-R310 PolarHBondContact O-N 3.48Å; E307-R310 VanDerWaalsContact O-N 3.12Å; R310-M560 PolarHBondContact NH1-O 3.24Å; R310-R604 PolarHBondContact NE-O 3.36Å; R310-R604 PolarHBondContact NH2-O 2.94Å; R310-N606 WeakPolarHBondContact CD-ND2 3.22Å; R310-N606 HydrophobicContact CG-CB 4.49Å; R310-N606 VanDerWaalsContact CG-ND2 3.34Å; R310-N606 WeakPolarHBondContact CG-ND2 3.31Å
311K84Confident79.8Confident169 Ų16976.5 Ų76.574%0.73539%0.387SS*.PPolyproline II helixtrans-93.4125.7167.6-68.1-175.5178.4-178.50107.9L313 N606K311-L313 PolarHBondContact O-N 3.06Å; K311-N606 PolarHBondContact O-ND2 3.03Å
312P80Confident79.9Confident79 Ų7982.2 Ų82.251%0.51341%0.41SS..PPolyproline II helixtrans-62.5140176.726.7-33.5000109.5Q314 E561P312-Q314 PolarHBondContact O-N 2.72Å; P312-Q314 VanDerWaalsContact O-N 3.12Å; P312-E561 VanDerWaalsContact CA-OE1 3.26Å; P312-E561 WeakPolarHBondContact CA-OE1 3.38Å; P312-E561 WeakPolarHBondContact CB-OE1 3.22Å
313L78.1Confident80Confident36 Ų3683.3 Ų83.319%0.18841%0.412CS..  trans-75.7105.2177.6-69.9175.5000108.1K311 M319 I564 F602 N606K311-L313 PolarHBondContact O-N 3.06Å; L313-M319 HydrophobicContact CD1-CE 4.19Å; L313-M319 HydrophobicContact CD2-CE 4.09Å; L313-I564 HydrophobicContact CB-CD1 3.78Å; L313-I564 HydrophobicContact CD1-CD1 4.03Å; L313-I564 HydrophobicContact CG-CD1 4.48Å; L313-F602 HydrophobicContact CD1-CD1 4.47Å; L313-F602 HydrophobicContact CD1-CE1 3.84Å; L313-F602 HydrophobicContact CD1-CZ 4.45Å; L313-N606 HydrophobicContact CD1-CB 3.97Å; L313-N606 HydrophobicContact CD2-CB 3.82Å; L313-N606 HydrophobicContact CG-CB 3.7Å
314Q68.2Low80Confident134 Ų13487.6 Ų87.663%0.62642%0.424SS*.  trans-77146.4168-67.4-175.3-17.500109.3P312 D316P312-Q314 PolarHBondContact O-N 2.72Å; P312-Q314 VanDerWaalsContact O-N 3.12Å; Q314-D316 PolarHBondContact O-N 3.31Å
315I67.8Low79.9Confident105 Ų10587.9 Ų87.954%0.53843%0.428SS..SBendtrans-73.170.2175.8-52.8170.4000108.1N578 L587I315-N578 WeakPolarHBondContact CD1-ND2 3.31Å; I315-L587 HydrophobicContact CG2-CD1 4.04Å; I315-L587 HydrophobicContact CG2-CD2 3.44Å; I315-L587 VanDerWaalsContact CG2-CD2 3.44Å; I315-L587 HydrophobicContact CG2-CG 4.33Å
316D65.5Low79.7Confident88 Ų8888.1 Ų88.147%0.47143%0.429SS..  trans-114.6140.2-178.4-99.1-10.5000109.9Q314 K318 M319Q314-D316 PolarHBondContact O-N 3.31Å; D316-K318 PolarHBondContact O-N 3.09Å; D316-M319 WeakPolarHBondContact O-CG 3.43Å; D316-M319 PolarHBondContact O-N 2.75Å
317P56.2Low79.1Confident122 Ų12294.1 Ų94.179%0.79246%0.461SS*.THydrogen-bonded Turntrans-67.3-1.7178.527.9-35000113.8
318K68.3Low78.3Confident189 Ų18990.8 Ų90.882%0.82245%0.446SS*.THydrogen-bonded Turntrans-95.415.8-179.6-66.3-176-179.61750113.9D316 S320D316-K318 PolarHBondContact O-N 3.09Å; K318-S320 PolarHBondContact O-N 3.47Å
319M73.4Confident77Confident31 Ų3193.1 Ų93.115%0.15346%0.459CS..  trans-55.6137172.1-68.9-17781.300110.4L313 D316 I564 L576 F590L313-M319 HydrophobicContact CD1-CE 4.19Å; L313-M319 HydrophobicContact CD2-CE 4.09Å; D316-M319 WeakPolarHBondContact O-CG 3.43Å; D316-M319 PolarHBondContact O-N 2.75Å; M319-I564 HydrophobicContact CE-CD1 3.5Å; M319-I564 HydrophobicContact CE-CG2 4.48Å; M319-I564 HydrophobicContact SD-CD1 3.78Å; M319-L576 HydrophobicContact CB-CD1 4.17Å; M319-L576 HydrophobicContact CE-CD1 3.48Å; M319-L576 VanDerWaalsContact CE-CD1 3.48Å; M319-L576 HydrophobicContact SD-CD1 3.63Å; M319-F590 WeakPolarHBondContact O-CZ 3.18Å
320S76.8Confident76.3Confident80 Ų8093.7 Ų93.756%0.55947%0.471SS*.  trans-118143.8177.756.80000109.5K318K318-S320 PolarHBondContact O-N 3.47Å
321I85.6Confident75.8Confident36 Ų3691.6 Ų91.619%0.18546%0.464CS..EExtended strand (participates in β ladder)trans-123.3135.5178.6-55.6-176000107.2V574 L576 F590 L608I321-V574 HydrophobicContact CD1-CB 4.25Å; I321-V574 HydrophobicContact CD1-CG1 3.74Å; I321-L576 HydrophobicContact CD1-CD1 4.23Å; I321-L576 HydrophobicContact CD1-CD2 4.28Å; I321-L576 HydrophobicContact CD1-CG 4.36Å; I321-F590 HydrophobicContact CD1-CB 4.43Å; I321-F590 HydrophobicContact CD1-CD2 3.21Å; I321-F590 HydrophobicContact CD1-CE2 3.43Å; I321-F590 VanDerWaalsContact CD1-CE2 3.43Å; I321-F590 HydrophobicContact CD1-CG 3.85Å; I321-F590 HydrophobicContact CD1-CZ 4.23Å; I321-F590 HydrophobicContact CG1-CD2 4.09Å; I321-F590 HydrophobicContact CG1-CE2 3.94Å; I321-F590 HydrophobicContact CG1-CZ 4.29Å; I321-L608 HydrophobicContact CD1-CD2 3.63Å; I321-L608 HydrophobicContact CG1-CB 4.39Å; I321-L608 HydrophobicContact CG1-CD2 3.89Å; I321-L608 HydrophobicContact CG1-CG 4.42Å; I321-L608 HydrophobicContact CG2-CB 4.34Å; I321-L608 HydrophobicContact CG2-CD2 4.19Å; I321-L608 HydrophobicContact CG2-CG 4.03Å
322Y89.6Confident75.8Confident121 Ų12184.5 Ų84.548%0.47544%0.435SS..EExtended strand (participates in β ladder)trans-94111.6169.1-71.4-94.6000108.2L607 L608 L609 G610Y322-L607 HydrophobicContact CD2-CD1 3.44Å; Y322-L607 VanDerWaalsContact CD2-CD1 3.44Å; Y322-L607 HydrophobicContact CD2-CD2 3.75Å; Y322-L607 HydrophobicContact CD2-CG 3.8Å; Y322-L607 HydrophobicContact CE2-CD1 3.32Å; Y322-L607 HydrophobicContact CE2-CD2 3.98Å; Y322-L607 HydrophobicContact CE2-CG 4.09Å; Y322-L608 PolarHBondContact N-O 2.95Å; Y322-L609 CarbonylContact O-C 3.59Å; Y322-L609 WeakPolarHBondContact O-CA 3.41Å; Y322-G610 PolarHBondContact O-N 3.5Å
323F89.1Confident76.2Confident60 Ų6081 Ų8126%0.26341%0.412SS..EExtended strand (participates in β ladder)trans-104.5118.3177.9-168.8-99.3000110T592 I595 V597 G610F323-T592 HydrophobicContact CD1-CG2 4.28Å; F323-T592 HydrophobicContact CD2-CG2 3.77Å; F323-T592 HydrophobicContact CE1-CG2 4.11Å; F323-T592 HydrophobicContact CE2-CG2 3.61Å; F323-T592 HydrophobicContact CG-CG2 4.11Å; F323-T592 HydrophobicContact CZ-CG2 3.76Å; F323-I595 HydrophobicContact CE1-CB 4.17Å; F323-I595 HydrophobicContact CE1-CD1 4.45Å; F323-I595 HydrophobicContact CE1-CG2 3.94Å; F323-I595 HydrophobicContact CZ-CB 4.41Å; F323-I595 HydrophobicContact CZ-CG2 3.99Å; F323-V597 HydrophobicContact CE2-CG1 4.3Å; F323-V597 HydrophobicContact CE2-CG2 3.99Å; F323-V597 HydrophobicContact CZ-CG2 4.47Å; F323-G610 CarbonylContact C-O 3.51Å; F323-G610 WeakPolarHBondContact CA-O 3.46Å
324Y88.7Confident76.8Confident108 Ų10879.5 Ų79.542%0.42441%0.405SS..EExtended strand (participates in β ladder)trans-99.9138176-61.7-74.6000110.1L609 G610 F611 G612Y324-L609 HydrophobicContact CE2-CD2 4.01Å; Y324-G610 PolarHBondContact N-O 3.47Å; Y324-F611 HydrophobicContact CD2-CD1 4.21Å; Y324-F611 AromaticContact CD2-CE1 3.59Å; Y324-F611 HydrophobicContact CD2-CE1 3.59Å; Y324-F611 AromaticContact CD2-CZ 3.9Å; Y324-F611 HydrophobicContact CD2-CZ 3.9Å; Y324-F611 HydrophobicContact CE2-CE1 4.48Å; Y324-F611 HydrophobicContact CE2-CZ 4.49Å; Y324-F611 HydrophobicContact CG-CD1 4.39Å; Y324-F611 HydrophobicContact CG-CE1 4.01Å; Y324-F611 WeakPolarHBondContact O-CA 3.32Å; Y324-G612 PolarHBondContact O-N 2.93Å
325T85.5Confident77.9Confident47 Ų4773.4 Ų73.429%0.28838%0.377SS..EExtended strand (participates in β ladder)trans-115.6121.5172.1-540000108L327 I595 G612 H614T325-L327 HydrophobicContact CG2-CD2 4.1Å; T325-L327 PolarHBondContact O-N 3.02Å; T325-I595 HydrophobicContact CG2-CD1 3.83Å; T325-I595 HydrophobicContact CG2-CG2 4.49Å; T325-I595 WeakPolarHBondContact OG1-CD1 3.43Å; T325-G612 WeakPolarHBondContact CA-O 3.45Å; T325-H614 HydrophobicContact CG2-CB 3.77Å
326I82.4Confident79.1Confident23 Ų2369 Ų6912%0.11835%0.354CS..EExtended strand (participates in β ladder)trans-76.4117.8172.1-60.8-164000107.8D328 F336 L345 V347 Y357 G612 Y613I326-D328 HydrophobicContact CG2-CB 4.14Å; I326-F336 HydrophobicContact CD1-CD1 4.3Å; I326-F336 HydrophobicContact CD1-CE1 3.51Å; I326-F336 HydrophobicContact CD1-CZ 4.4Å; I326-F336 HydrophobicContact CG1-CE1 4.07Å; I326-L345 HydrophobicContact CD1-CD2 4.33Å; I326-V347 HydrophobicContact CD1-CG1 4.35Å; I326-V347 HydrophobicContact CD1-CG2 3.77Å; I326-Y357 HydrophobicContact CD1-CE2 3.98Å; I326-G612 PolarHBondContact N-O 3.14Å; I326-G612 VanDerWaalsContact N-O 3.16Å; I326-Y613 WeakPolarHBondContact O-CD2 3.28Å
327L74.2Confident80.4Confident148 Ų14866.3 Ų66.378%0.77534%0.34SS*.  trans-98.983.5173.6-60.9175.6000107.5T325 H614T325-L327 HydrophobicContact CG2-CD2 4.1Å; T325-L327 PolarHBondContact O-N 3.02Å; L327-H614 HydrophobicContact CD2-CB 4.45Å
328D70.8Confident82.2Confident26 Ų2661 Ų6114%0.13930%0.304CS..  trans-116.4122.8169.6-161.6-28.1000108.4I326 V330 S331 K375 Y613I326-D328 HydrophobicContact CG2-CB 4.14Å; D328-V330 PolarHBondContact OD1-N 3.44Å; D328-S331 PolarHBondContact OD1-N 3.03Å; D328-S331 PolarHBondContact OD2-OG 2.97Å; D328-K375 IonicContact OD2-NZ 3.71Å; D328-K375 PolarHBondContact OD2-NZ 3.3Å; D328-Y613 PolarHBondContact O-OH 3.46Å
329Q60.4Low83.3Confident201 Ų20152.3 Ų52.394%0.93927%0.267SS*.SBendtrans-82.9-17.3-179-67.7-175-10.600112.3
330V70.4Confident83.9Confident119 Ų11953.9 Ų53.972%0.72128%0.276SS*.SBendtrans-100.9-47.9-171.6-176.80000110.8D328D328-V330 PolarHBondContact OD1-N 3.44Å
331S76.2Confident84.3Confident2 Ų251.5 Ų51.51%0.01426%0.257CS..  trans-111124.3-176.7650000110.6D328 N349 D351D328-S331 PolarHBondContact OD1-N 3.03Å; D328-S331 PolarHBondContact OD2-OG 2.97Å; S331-N349 PolarHBondContact OG-ND2 3Å; S331-D351 WeakPolarHBondContact CB-OD2 3.43Å
332S85Confident84.5Confident20 Ų2050.7 Ų50.714%0.1426%0.255CS..  trans-89.4121.7174.2-61.20000109.4N349 S350 Y613 I620S332-N349 CarbonylContact O-C 3.43Å; S332-N349 WeakPolarHBondContact O-CA 3.45Å; S332-S350 PolarHBondContact N-OG 3.35Å; S332-S350 PolarHBondContact O-N 3.01Å; S332-S350 PolarHBondContact O-OG 3.43Å; S332-Y613 WeakPolarHBondContact OG-CE1 3.32Å; S332-Y613 PolarHBondContact OG-OH 2.99Å; S332-I620 WeakPolarHBondContact OG-CD1 3.35Å
333P88.7Confident84.3Confident4 Ų446.7 Ų46.73%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-71.1133178.732.3-37.5000110.9F336 V347 Y613P333-F336 HydrophobicContact CB-CE1 4.25Å; P333-F336 HydrophobicContact CB-CE2 4.03Å; P333-F336 HydrophobicContact CB-CZ 3.58Å; P333-F336 HydrophobicContact CG-CE2 4.39Å; P333-F336 HydrophobicContact CG-CZ 3.75Å; P333-V347 HydrophobicContact CB-CG1 3.39Å; P333-Y613 VanDerWaalsContact CD-CE2 3.45Å; P333-Y613 HydrophobicContact CG-CD1 4.16Å; P333-Y613 HydrophobicContact CG-CD2 3.51Å; P333-Y613 HydrophobicContact CG-CE2 4.25Å; P333-Y613 HydrophobicContact CG-CG 3.45Å; P333-Y613 VanDerWaalsContact CG-CG 3.45Å
334C89Confident84.3Confident5 Ų543.9 Ų43.93%0.03423%0.228CC..EExtended strand (participates in β ladder)trans-101.7-34.5177.4-580000111.6G348 S350 V385 Y386 Y554 I620C334-G348 PolarHBondContact N-O 2.81Å; C334-S350 PolarHBondContact SG-N 3.13Å; C334-V385 WeakPolarHBondContact CB-O 3.5Å; C334-Y386 HydrophobicContact CB-CD1 4.3Å; C334-Y554 PolarHBondContact O-OH 3.12Å; C334-I620 VanDerWaalsContact SG-CG2 3.53Å
335C91.3Very high84.4Confident6 Ų639 Ų394%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-148159.4-177.164.30000111.7V347 G348 Y386C335-V347 WeakPolarHBondContact O-CA 3.37Å; C335-G348 PolarHBondContact N-O 3.37Å; C335-G348 PolarHBondContact O-N 2.99Å; C335-Y386 WeakPolarHBondContact CB-O 3.5Å; C335-Y386 PolarHBondContact SG-O 2.95Å; C335-Y386 VanDerWaalsContact SG-O 3.37Å
336F93.4Very high84.8Confident13 Ų1336.7 Ų36.76%0.05720%0.195CC..EExtended strand (participates in β ladder)trans-137.1148.2180-55.3-107000108.2I326 P333 L345 A346 V347 L598 H599 F611I326-F336 HydrophobicContact CD1-CD1 4.3Å; I326-F336 HydrophobicContact CD1-CE1 3.51Å; I326-F336 HydrophobicContact CD1-CZ 4.4Å; I326-F336 HydrophobicContact CG1-CE1 4.07Å; P333-F336 HydrophobicContact CB-CE1 4.25Å; P333-F336 HydrophobicContact CB-CE2 4.03Å; P333-F336 HydrophobicContact CB-CZ 3.58Å; P333-F336 HydrophobicContact CG-CE2 4.39Å; P333-F336 HydrophobicContact CG-CZ 3.75Å; F336-L345 HydrophobicContact CB-CD1 4.4Å; F336-L345 HydrophobicContact CD1-CD1 4.33Å; F336-A346 CarbonylContact C-O 3.6Å; F336-A346 VanDerWaalsContact CA-O 3.31Å; F336-A346 WeakPolarHBondContact CA-O 3.43Å; F336-V347 HydrophobicContact CD1-CG1 4.23Å; F336-V347 HydrophobicContact CD1-CG2 3.76Å; F336-V347 HydrophobicContact CE1-CG1 4.09Å; F336-V347 HydrophobicContact CE1-CG2 4.09Å; F336-V347 HydrophobicContact CZ-CG1 4.49Å; F336-L598 HydrophobicContact CD2-CB 3.81Å; F336-L598 HydrophobicContact CE2-CB 3.51Å; F336-L598 HydrophobicContact CE2-CD1 3.62Å; F336-L598 HydrophobicContact CE2-CG 4.2Å; F336-L598 HydrophobicContact CZ-CD1 4.29Å; F336-H599 HydrophobicContact CB-CB 3.66Å; F336-H599 HydrophobicContact CD2-CB 4.2Å; F336-H599 HydrophobicContact CG-CB 4.09Å; F336-H599 PolarHBondContact O-CD2 3.38Å; F336-F611 HydrophobicContact CD1-CB 4Å; F336-F611 HydrophobicContact CD1-CG 4.41Å; F336-F611 HydrophobicContact CE1-CB 4.05Å; F336-F611 HydrophobicContact CG-CB 4.38Å
337D94.2Very high85.3Confident32 Ų3235.6 Ų35.617%0.17119%0.19CC..EExtended strand (participates in β ladder)trans-142148.1162.9-175.832.8000108.8A346 V388 S389 C390D337-A346 PolarHBondContact N-O 2.96Å; D337-A346 PolarHBondContact O-N 3.29Å; D337-V388 HydrophobicContact CB-CG2 3.81Å; D337-V388 WeakPolarHBondContact CB-O 3.33Å; D337-S389 WeakPolarHBondContact OD2-CA 3.17Å; D337-C390 PolarHBondContact OD2-N 2.96Å
338I92.6Very high86.2Confident9 Ų928.6 Ų28.65%0.04615%0.153CC..EExtended strand (participates in β ladder)trans-131.8139.7-178.4-166.6177.1000109.1L344 L345 L359 H601 L609 F611I338-L344 WeakPolarHBondContact CA-O 3.48Å; I338-L344 WeakPolarHBondContact CG1-O 3.44Å; I338-L345 HydrophobicContact CB-CD1 4.18Å; I338-L345 HydrophobicContact CG1-CD1 4.49Å; I338-L359 HydrophobicContact CD1-CD1 3.52Å; I338-L359 HydrophobicContact CG1-CD1 4.1Å; I338-H601 HydrophobicContact CG2-CB 3.48Å; I338-H601 VanDerWaalsContact CG2-CB 3.48Å; I338-H601 VanDerWaalsContact CG2-ND1 3.31Å; I338-H601 WeakPolarHBondContact CG2-ND1 3.28Å; I338-L609 HydrophobicContact CD1-CD1 3.96Å; I338-F611 HydrophobicContact CD1-CE2 4.19Å; I338-F611 HydrophobicContact CD1-CZ 4.18Å
339T91.1Very high87.2Confident8 Ų827.5 Ų27.55%0.04915%0.147CC..  trans-65.2152178.559.40000111.1D341 S342 E343 L344 C390 K394T339-D341 VanDerWaalsContact CB-OD1 3.29Å; T339-D341 WeakPolarHBondContact CB-OD1 3.39Å; T339-D341 PolarHBondContact O-N 2.9Å; T339-D341 VanDerWaalsContact O-N 3.16Å; T339-D341 PolarHBondContact OG1-OD1 3.37Å; T339-S342 WeakPolarHBondContact O-CA 3.2Å; T339-S342 PolarHBondContact O-N 2.94Å; T339-E343 PolarHBondContact OG1-N 3.08Å; T339-L344 HydrophobicContact CG2-CB 3.78Å; T339-L344 HydrophobicContact CG2-CD2 4.33Å; T339-L344 PolarHBondContact N-O 2.83Å; T339-L344 PolarHBondContact OG1-N 2.94Å; T339-L344 VanDerWaalsContact OG1-N 3.14Å; T339-C390 HydrophobicContact CG2-CB 3.86Å; T339-K394 HydrophobicContact CG2-CD 4.08Å; T339-K394 HydrophobicContact CG2-CG 3.81Å
340D86.6Confident88.6Confident64 Ų6419.5 Ų19.534%0.34211%0.113SC..THydrogen-bonded Turntrans-57.8-29.5-177.5174.763.6000113.8S342 R604D340-S342 VanDerWaalsContact C-N 3.28Å; D340-R604 IonicContact OD2-CZ 2.57Å; D340-R604 IonicContact OD2-NE 3.63Å; D340-R604 PolarHBondContact OD2-NE 3.31Å; D340-R604 IonicContact OD2-NH2 3.85Å; D340-R604 PolarHBondContact OD2-NH2 2.92Å
341D85.7Confident89.5Confident30 Ų3016.1 Ų16.116%0.169%0.092CC..THydrogen-bonded Turntrans-87.14.1173.760.4-3.3000114.3T339 E343 K394T339-D341 VanDerWaalsContact CB-OD1 3.29Å; T339-D341 WeakPolarHBondContact CB-OD1 3.39Å; T339-D341 PolarHBondContact O-N 2.9Å; T339-D341 VanDerWaalsContact O-N 3.16Å; T339-D341 PolarHBondContact OG1-OD1 3.37Å; D341-E343 HydrophobicContact CB-CG 4.28Å; D341-E343 PolarHBondContact O-N 3.17Å; D341-E343 PolarHBondContact OD1-N 2.7Å; D341-K394 IonicContact OD1-NZ 3.81Å; D341-K394 WeakPolarHBondContact OD2-CE 3.12Å; D341-K394 IonicContact OD2-NZ 3.7Å; D341-K394 PolarHBondContact OD2-NZ 2.78Å
342S88.7Confident90.3Very high19 Ų1917.3 Ų17.313%0.13310%0.1CC..SBendtrans60.827.7176.7-39.70000114.3T339 D340 L359 H601 T603T339-S342 WeakPolarHBondContact O-CA 3.2Å; T339-S342 PolarHBondContact O-N 2.94Å; D340-S342 VanDerWaalsContact C-N 3.28Å; S342-L359 WeakPolarHBondContact O-CD1 3.38Å; S342-H601 PolarHBondContact OG-CD2 3.2Å; S342-H601 PolarHBondContact OG-NE2 2.93Å; S342-T603 WeakPolarHBondContact OG-CB 3.45Å; S342-T603 VanDerWaalsContact OG-CG2 3.27Å; S342-T603 WeakPolarHBondContact OG-CG2 3.31Å
343E86.1Confident90.7Very high36 Ų3616.4 Ų16.417%0.1689%0.093CC..  trans-94-32.1-177.8-63.8-168.3158.500114T339 D341 L359 T363 F364 K394T339-E343 PolarHBondContact OG1-N 3.08Å; D341-E343 HydrophobicContact CB-CG 4.28Å; D341-E343 PolarHBondContact O-N 3.17Å; D341-E343 PolarHBondContact OD1-N 2.7Å; E343-L359 PolarHBondContact O-N 3.47Å; E343-T363 HydrophobicContact CB-CG2 3.71Å; E343-T363 WeakPolarHBondContact O-CG2 3.37Å; E343-F364 PolarHBondContact OE2-N 2.64Å; E343-K394 IonicContact OE2-NZ 3.26Å; E343-K394 PolarHBondContact OE2-NZ 3.43Å
344L88.9Confident90.9Very high1 Ų116.2 Ų16.21%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-124.2129.6-177.1-177.574.8000109.8I338 T339 L356 L411I338-L344 WeakPolarHBondContact CA-O 3.48Å; I338-L344 WeakPolarHBondContact CG1-O 3.44Å; T339-L344 HydrophobicContact CG2-CB 3.78Å; T339-L344 HydrophobicContact CG2-CD2 4.33Å; T339-L344 PolarHBondContact N-O 2.83Å; T339-L344 PolarHBondContact OG1-N 2.94Å; T339-L344 VanDerWaalsContact OG1-N 3.14Å; L344-L356 HydrophobicContact CD1-CB 4.28Å; L344-L356 HydrophobicContact CD1-CD2 4.46Å; L344-L356 HydrophobicContact CD2-CD2 4.38Å; L344-L356 HydrophobicContact CG-CD2 4.5Å; L344-L411 HydrophobicContact CD2-CD1 3.81Å; L344-L411 HydrophobicContact CD2-CD2 4.12Å
345L91.4Very high91Very high5 Ų516 Ų163%0.0269%0.091CC..EExtended strand (participates in β ladder)trans-109.5119.2172.2177.175.1000109.1I326 F336 I338 V347 L356 Y357 L359 F611I326-L345 HydrophobicContact CD1-CD2 4.33Å; F336-L345 HydrophobicContact CB-CD1 4.4Å; F336-L345 HydrophobicContact CD1-CD1 4.33Å; I338-L345 HydrophobicContact CB-CD1 4.18Å; I338-L345 HydrophobicContact CG1-CD1 4.49Å; L345-V347 HydrophobicContact CD2-CG2 4.07Å; L345-V347 HydrophobicContact CG-CG2 3.96Å; L345-L356 WeakPolarHBondContact O-CA 3.24Å; L345-Y357 HydrophobicContact CD2-CD2 4.28Å; L345-Y357 PolarHBondContact N-O 3.47Å; L345-Y357 PolarHBondContact O-N 3.27Å; L345-L359 HydrophobicContact CB-CD1 4.11Å; L345-L359 HydrophobicContact CB-CD2 4.49Å; L345-L359 HydrophobicContact CB-CG 4.22Å; L345-F611 HydrophobicContact CD1-CD1 4.38Å; L345-F611 HydrophobicContact CD1-CD2 4.44Å; L345-F611 HydrophobicContact CD1-CE1 4.11Å; L345-F611 HydrophobicContact CD1-CE2 4.16Å; L345-F611 HydrophobicContact CD1-CZ 3.99Å; L345-F611 HydrophobicContact CD2-CD1 3.94Å; L345-F611 HydrophobicContact CD2-CE1 3.61Å; L345-F611 HydrophobicContact CD2-CZ 4.23Å; L345-F611 HydrophobicContact CG-CE1 4.49Å
346A93.4Very high91Very high0 Ų015.8 Ų15.80%09%0.089CC..EExtended strand (participates in β ladder)trans-98138.1170.900000110.4F336 D337 S355 L356 V388 L397F336-A346 CarbonylContact C-O 3.6Å; F336-A346 VanDerWaalsContact CA-O 3.31Å; F336-A346 WeakPolarHBondContact CA-O 3.43Å; D337-A346 PolarHBondContact N-O 2.96Å; D337-A346 PolarHBondContact O-N 3.29Å; A346-S355 CarbonylContact C-O 3.56Å; A346-L356 HydrophobicContact CB-CD2 3.64Å; A346-V388 HydrophobicContact CB-CB 4.44Å; A346-V388 HydrophobicContact CB-CG2 4.26Å; A346-L397 HydrophobicContact CB-CD1 3.81Å
347V93Very high90.8Very high0 Ų017.4 Ų17.40%010%0.095CC..EExtended strand (participates in β ladder)trans-133.9117.9-175.9-175.60000109.1I326 P333 C335 F336 L345 V354 S355 Y357I326-V347 HydrophobicContact CD1-CG1 4.35Å; I326-V347 HydrophobicContact CD1-CG2 3.77Å; P333-V347 HydrophobicContact CB-CG1 3.39Å; C335-V347 WeakPolarHBondContact O-CA 3.37Å; F336-V347 HydrophobicContact CD1-CG1 4.23Å; F336-V347 HydrophobicContact CD1-CG2 3.76Å; F336-V347 HydrophobicContact CE1-CG1 4.09Å; F336-V347 HydrophobicContact CE1-CG2 4.09Å; F336-V347 HydrophobicContact CZ-CG1 4.49Å; L345-V347 HydrophobicContact CD2-CG2 4.07Å; L345-V347 HydrophobicContact CG-CG2 3.96Å; V347-V354 CarbonylContact O-C 3.46Å; V347-V354 WeakPolarHBondContact O-CA 3.36Å; V347-S355 PolarHBondContact N-O 3.2Å; V347-S355 PolarHBondContact O-N 3.39Å; V347-Y357 HydrophobicContact CB-CE2 4.33Å; V347-Y357 HydrophobicContact CG2-CD2 3.88Å; V347-Y357 HydrophobicContact CG2-CE2 3.8Å
348G93Very high90.4Very high0 Ų017.3 Ų17.30%010%0.097CC..EExtended strand (participates in β ladder)trans-86.5131.8171.600000110.2C334 C335C334-G348 PolarHBondContact N-O 2.81Å; C335-G348 PolarHBondContact N-O 3.37Å; C335-G348 PolarHBondContact O-N 2.99Å
349N92.3Very high90Very high3 Ų320.2 Ų20.22%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-112.8159.4-173.4-66.7-39.6000112.9S331 S332 D351 S352 S353 S355 V385S331-N349 PolarHBondContact OG-ND2 3Å; S332-N349 CarbonylContact O-C 3.43Å; S332-N349 WeakPolarHBondContact O-CA 3.45Å; N349-D351 VanDerWaalsContact C-N 3.25Å; N349-D351 WeakPolarHBondContact CB-OD1 3.4Å; N349-D351 PolarHBondContact O-N 2.77Å; N349-S352 PolarHBondContact O-N 2.89Å; N349-S353 WeakPolarHBondContact CB-O 3.39Å; N349-S353 PolarHBondContact N-O 2.78Å; N349-S353 PolarHBondContact ND2-OG 3.15Å; N349-S355 PolarHBondContact ND2-OG 2.8Å; N349-V385 PolarHBondContact O-N 2.94Å
350S90.1Very high89.3Confident33 Ų3321.3 Ų21.323%0.23112%0.12CC..THydrogen-bonded Turntrans-67.8-22.8174.9680000113.7S332 C334 S352 P384S332-S350 PolarHBondContact N-OG 3.35Å; S332-S350 PolarHBondContact O-N 3.01Å; S332-S350 PolarHBondContact O-OG 3.43Å; C334-S350 PolarHBondContact SG-N 3.13Å; S350-S352 PolarHBondContact O-N 3.12Å; S350-P384 WeakPolarHBondContact O-CG 3.24Å
351D89.7Confident88Confident49 Ų4922.2 Ų22.226%0.26213%0.13SC..THydrogen-bonded Turntrans-86.125.2179.174.9-25.2000113S331 N349 S353 K377S331-D351 WeakPolarHBondContact CB-OD2 3.43Å; N349-D351 VanDerWaalsContact C-N 3.25Å; N349-D351 WeakPolarHBondContact CB-OD1 3.4Å; N349-D351 PolarHBondContact O-N 2.77Å; D351-S353 VanDerWaalsContact CG-OG 3.31Å; D351-S353 PolarHBondContact O-N 3.28Å; D351-S353 VanDerWaalsContact O-N 3.13Å; D351-S353 WeakPolarHBondContact OD1-CB 3.04Å; D351-S353 PolarHBondContact OD1-N 3.42Å; D351-S353 PolarHBondContact OD1-OG 2.92Å; D351-S353 PolarHBondContact OD2-OG 2.91Å; D351-K377 IonicContact OD2-NZ 2.61Å; D351-K377 PolarHBondContact OD2-NZ 2.82Å
352S92.3Very high86.7Confident27 Ų2726.5 Ų26.519%0.18914%0.144CC..SBendtrans59.517-178.182.40000116.3N349 S350 H381 N383N349-S352 PolarHBondContact O-N 2.89Å; S350-S352 PolarHBondContact O-N 3.12Å; S352-H381 WeakPolarHBondContact CB-O 3.12Å; S352-H381 WeakPolarHBondContact O-CB 3.33Å; S352-H381 PolarHBondContact OG-O 3.08Å; S352-N383 VanDerWaalsContact CA-O 3.3Å; S352-N383 WeakPolarHBondContact CA-O 3.5Å; S352-N383 WeakPolarHBondContact CB-O 3.19Å
353S92.9Very high85.3Confident0 Ų025.9 Ų25.90%014%0.139CC..EExtended strand (participates in β ladder)trans-103.3159.4177.374.50000113.3N349 D351 K377 L378N349-S353 WeakPolarHBondContact CB-O 3.39Å; N349-S353 PolarHBondContact N-O 2.78Å; N349-S353 PolarHBondContact ND2-OG 3.15Å; D351-S353 VanDerWaalsContact CG-OG 3.31Å; D351-S353 PolarHBondContact O-N 3.28Å; D351-S353 VanDerWaalsContact O-N 3.13Å; D351-S353 WeakPolarHBondContact OD1-CB 3.04Å; D351-S353 PolarHBondContact OD1-N 3.42Å; D351-S353 PolarHBondContact OD1-OG 2.92Å; D351-S353 PolarHBondContact OD2-OG 2.91Å; S353-K377 WeakPolarHBondContact OG-CE 2.9Å; S353-L378 WeakPolarHBondContact CA-O 3.34Å
354V93.4Very high83.8Confident1 Ų126.4 Ų26.41%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-117.5121.8167.9-177.50000108.5V347 L378 V385 V388 L397V347-V354 CarbonylContact O-C 3.46Å; V347-V354 WeakPolarHBondContact O-CA 3.36Å; V354-L378 HydrophobicContact CB-CB 4.19Å; V354-L378 HydrophobicContact CB-CD1 4.48Å; V354-L378 PolarHBondContact N-O 2.87Å; V354-L378 PolarHBondContact O-N 3.11Å; V354-V385 HydrophobicContact CG2-CG1 4.13Å; V354-V385 HydrophobicContact CG2-CG2 4.13Å; V354-V388 HydrophobicContact CG1-CG1 4.1Å; V354-V388 HydrophobicContact CG2-CG1 4.37Å; V354-L397 HydrophobicContact CG1-CD2 4.01Å
355S91.6Very high82.1Confident0 Ų026.5 Ų26.50%014%0.142CC..EExtended strand (participates in β ladder)trans-99.3136.4176.7-60.20000110.4A346 V347 N349 S376A346-S355 CarbonylContact C-O 3.56Å; V347-S355 PolarHBondContact N-O 3.2Å; V347-S355 PolarHBondContact O-N 3.39Å; N349-S355 PolarHBondContact ND2-OG 2.8Å; S355-S376 CarbonylContact C-O 3.53Å; S355-S376 WeakPolarHBondContact CA-O 3.32Å
356L91.2Very high80.2Confident1 Ų126.9 Ų26.91%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-113.5130.5174.5-66177.7000109.2L344 L345 A346 K375 S376 L378 L397 L411 L414L344-L356 HydrophobicContact CD1-CB 4.28Å; L344-L356 HydrophobicContact CD1-CD2 4.46Å; L344-L356 HydrophobicContact CD2-CD2 4.38Å; L344-L356 HydrophobicContact CG-CD2 4.5Å; L345-L356 WeakPolarHBondContact O-CA 3.24Å; A346-L356 HydrophobicContact CB-CD2 3.64Å; L356-K375 WeakPolarHBondContact O-CA 3.46Å; L356-S376 PolarHBondContact N-O 3.28Å; L356-S376 PolarHBondContact O-N 3.3Å; L356-L378 HydrophobicContact CD1-CD1 4.05Å; L356-L378 HydrophobicContact CG-CD1 4.43Å; L356-L397 HydrophobicContact CD2-CD2 3.97Å; L356-L411 HydrophobicContact CD1-CD2 3.57Å; L356-L411 HydrophobicContact CD2-CD2 4.43Å; L356-L414 HydrophobicContact CD1-CD2 3.49Å; L356-L414 VanDerWaalsContact CD1-CD2 3.49Å
357Y88.3Confident77.9Confident48 Ų4829.1 Ų29.119%0.18817%0.168CC..EExtended strand (participates in β ladder)trans-120125.2175.8-61.5-92.2000109.3I326 L345 V347 K375I326-Y357 HydrophobicContact CD1-CE2 3.98Å; L345-Y357 HydrophobicContact CD2-CD2 4.28Å; L345-Y357 PolarHBondContact N-O 3.47Å; L345-Y357 PolarHBondContact O-N 3.27Å; V347-Y357 HydrophobicContact CB-CE2 4.33Å; V347-Y357 HydrophobicContact CG2-CD2 3.88Å; V347-Y357 HydrophobicContact CG2-CE2 3.8Å; Y357-K375 HydrophobicContact CD1-CB 4.21Å; Y357-K375 HydrophobicContact CD1-CG 4.27Å; Y357-K375 HydrophobicContact CE1-CB 4.06Å; Y357-K375 HydrophobicContact CE1-CD 3.72Å; Y357-K375 HydrophobicContact CE1-CG 3.78Å; Y357-K375 VanDerWaalsContact OH-CE 3.25Å; Y357-K375 WeakPolarHBondContact OH-CE 3.3Å; Y357-K375 PolarHBondContact OH-NZ 3.28Å
358S86.3Confident75.2Confident29 Ų2937.5 Ų37.520%0.20321%0.205CC..EExtended strand (participates in β ladder)trans-79.3120.5168.1177.90000109.8S360 T363 M372 G374S358-S360 PolarHBondContact OG-O 3.05Å; S358-T363 WeakPolarHBondContact OG-CG2 3.5Å; S358-T363 PolarHBondContact OG-OG1 3.04Å; S358-M372 WeakPolarHBondContact CB-O 3.47Å; S358-M372 PolarHBondContact OG-O 3.34Å; S358-G374 PolarHBondContact N-O 3.48Å
359L83.1Confident73Confident71 Ų7141.7 Ų41.737%0.37223%0.234SC..SBendtrans-90.2-17.8177.2-63.1177.6000112.4I338 S342 E343 L345I338-L359 HydrophobicContact CD1-CD1 3.52Å; I338-L359 HydrophobicContact CG1-CD1 4.1Å; S342-L359 WeakPolarHBondContact O-CD1 3.38Å; E343-L359 PolarHBondContact O-N 3.47Å; L345-L359 HydrophobicContact CB-CD1 4.11Å; L345-L359 HydrophobicContact CB-CD2 4.49Å; L345-L359 HydrophobicContact CB-CG 4.22Å
360S76.3Confident70.9Confident31 Ų3146.7 Ų46.722%0.21726%0.257CS..SBendtrans-123.8130.5176175.80000109.4S358 Y362 T363S358-S360 PolarHBondContact OG-O 3.05Å; S360-Y362 PolarHBondContact O-N 2.89Å; S360-Y362 PolarHBondContact OG-N 3.38Å; S360-T363 PolarHBondContact O-N 3.31Å
361P59.6Low69.1Low83 Ų8350.6 Ų50.654%0.53927%0.27SS..THydrogen-bonded Turntrans-60.8-11.5178.825.5-33.5000113.6
362Y60Low67.5Low120 Ų12049 Ų4947%0.47126%0.262SS..THydrogen-bonded Turntrans-112.538.2176.9-53.6-76.3000112.1S360 F364S360-Y362 PolarHBondContact O-N 2.89Å; S360-Y362 PolarHBondContact OG-N 3.38Å; Y362-F364 WeakPolarHBondContact O-CD2 3.04Å; Y362-F364 WeakPolarHBondContact O-CE2 3.26Å; Y362-F364 PolarHBondContact O-N 3.21Å
363T57.4Low65.9Low5 Ų555 Ų553%0.03129%0.286CS..  trans-55.6109171.230.30000110.3E343 S358 S360 T365E343-T363 HydrophobicContact CB-CG2 3.71Å; E343-T363 WeakPolarHBondContact O-CG2 3.37Å; S358-T363 WeakPolarHBondContact OG-CG2 3.5Å; S358-T363 PolarHBondContact OG-OG1 3.04Å; S360-T363 PolarHBondContact O-N 3.31Å; T363-T365 PolarHBondContact O-N 2.79Å
364F55.4Low64.8Low47 Ų4757.1 Ų57.121%0.20631%0.309CS..  trans-85102.3173.3-70.8-82.2000109E343 Y362 K394E343-F364 PolarHBondContact OE2-N 2.64Å; Y362-F364 WeakPolarHBondContact O-CD2 3.04Å; Y362-F364 WeakPolarHBondContact O-CE2 3.26Å; Y362-F364 PolarHBondContact O-N 3.21Å; F364-K394 PolarHBondContact O-NZ 3.28Å
365T54.3Low64.3Low3 Ų361.8 Ų61.82%0.01833%0.329CS..  trans-96.791.1164.154.30000108T363 M372 L411T363-T365 PolarHBondContact O-N 2.79Å; T365-M372 HydrophobicContact CG2-CE 4.01Å; T365-L411 HydrophobicContact CG2-CB 4.45Å
366S50.7Low64Low13 Ų1363.3 Ų63.39%0.09134%0.339CS..SBendtrans62.6175.4-179.393.60000116.7F368 E412S366-F368 CarbonylContact O-C 3.5Å; S366-F368 PolarHBondContact O-N 3.12Å; S366-F368 VanDerWaalsContact O-O 3.05Å; S366-E412 WeakPolarHBondContact CB-OE1 3.38Å; S366-E412 WeakPolarHBondContact OG-CG 3.31Å; S366-E412 PolarHBondContact OG-OE1 3.24Å
367G44.3Very low63.9Low47 Ų4768 Ų6849%0.48536%0.36SS..SBendtrans-60.16-168.800000116.9
368F37.4Very low64.1Low177 Ų17766 Ų6678%0.77635%0.353SS*.SBendtrans-110.2121.8163.2-70.2-83.6000108.3S366 Q370S366-F368 CarbonylContact O-C 3.5Å; S366-F368 PolarHBondContact O-N 3.12Å; S366-F368 VanDerWaalsContact O-O 3.05Å; F368-Q370 PolarHBondContact O-N 3.34Å
369S45.5Very low64.4Low88 Ų8870.5 Ų70.562%0.61537%0.374SS*.  trans-61.674.7171.7166.20000110.5K371S369-K371 PolarHBondContact O-N 3.31Å
370Q50Low64.7Low107 Ų10769.2 Ų69.250%0.538%0.378SS..  trans-87.1105.8167.2-163167.5600107.4F368 M372 E412F368-Q370 PolarHBondContact O-N 3.34Å; Q370-M372 PolarHBondContact O-N 3.4Å; Q370-E412 PolarHBondContact OE1-O 3.02Å; Q370-E412 VanDerWaalsContact OE1-O 3.09Å
371K51.8Low65.5Low115 Ų11568.2 Ų68.250%0.537%0.369SS..  trans-65.3101168.8-71.1-176.3173.9-174.50108.2S369 E373S369-K371 PolarHBondContact O-N 3.31Å; K371-E373 VanDerWaalsContact C-N 3.29Å; K371-E373 HydrophobicContact CB-CG 4.22Å; K371-E373 PolarHBondContact O-N 3.3Å; K371-E373 VanDerWaalsContact O-N 3.08Å
372M56.3Low67Low17 Ų1769.3 Ų69.38%0.08438%0.378CS..  trans-72.992.7159.4-75.5-152-160.100107.8S358 T365 Q370 L411 L414S358-M372 WeakPolarHBondContact CB-O 3.47Å; S358-M372 PolarHBondContact OG-O 3.34Å; T365-M372 HydrophobicContact CG2-CE 4.01Å; Q370-M372 PolarHBondContact O-N 3.4Å; M372-L411 WeakPolarHBondContact CE-O 3.17Å; M372-L414 HydrophobicContact CE-CD1 3.96Å; M372-L414 HydrophobicContact CE-CD2 3.53Å; M372-L414 HydrophobicContact CE-CG 3.82Å; M372-L414 HydrophobicContact SD-CD1 4.29Å; M372-L414 HydrophobicContact SD-CD2 4.34Å
373E58.1Low68.6Low151 Ų15166.8 Ų66.871%0.70637%0.373SS*.  trans-86.9111.4169.5-71.9-177.8-177.100108.9K371K371-E373 VanDerWaalsContact C-N 3.29Å; K371-E373 HydrophobicContact CB-CG 4.22Å; K371-E373 PolarHBondContact O-N 3.3Å; K371-E373 VanDerWaalsContact O-N 3.08Å
374G70.4Confident70.3Confident46 Ų4668.1 Ų68.147%0.47438%0.381SS..SBendtrans97.5-140.5168.900000115.5S358S358-G374 PolarHBondContact N-O 3.48Å
375K81.4Confident72.1Confident99 Ų9965.9 Ų65.943%0.4337%0.371SS..EExtended strand (participates in β ladder)trans-107.8125.3-171.6179.1-177-179.9171.30110.3D328 L356 Y357D328-K375 IonicContact OD2-NZ 3.71Å; D328-K375 PolarHBondContact OD2-NZ 3.3Å; L356-K375 WeakPolarHBondContact O-CA 3.46Å; Y357-K375 HydrophobicContact CD1-CB 4.21Å; Y357-K375 HydrophobicContact CD1-CG 4.27Å; Y357-K375 HydrophobicContact CE1-CB 4.06Å; Y357-K375 HydrophobicContact CE1-CD 3.72Å; Y357-K375 HydrophobicContact CE1-CG 3.78Å; Y357-K375 VanDerWaalsContact OH-CE 3.25Å; Y357-K375 WeakPolarHBondContact OH-CE 3.3Å; Y357-K375 PolarHBondContact OH-NZ 3.28Å
376S86.3Confident74Confident31 Ų3167.4 Ų67.422%0.21738%0.377CS..EExtended strand (participates in β ladder)trans-111.1144.1171-660000110.1S355 L356S355-S376 CarbonylContact C-O 3.53Å; S355-S376 WeakPolarHBondContact CA-O 3.32Å; L356-S376 PolarHBondContact N-O 3.28Å; L356-S376 PolarHBondContact O-N 3.3Å
377K88.7Confident76.1Confident99 Ų9966.8 Ų66.843%0.4337%0.373SS..EExtended strand (participates in β ladder)trans-120.9124179.2-166.8175-172.5174.60109.9D351 S353 L379D351-K377 IonicContact OD2-NZ 2.61Å; D351-K377 PolarHBondContact OD2-NZ 2.82Å; S353-K377 WeakPolarHBondContact OG-CE 2.9Å; K377-L379 HydrophobicContact CD-CD2 4.29Å; K377-L379 HydrophobicContact CG-CD2 4.24Å
378L92Very high78.5Confident8 Ų865 Ų654%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-99.6134.8175-58.8172.7000109.1S353 V354 L356 L397 W409 L414S353-L378 WeakPolarHBondContact CA-O 3.34Å; V354-L378 HydrophobicContact CB-CB 4.19Å; V354-L378 HydrophobicContact CB-CD1 4.48Å; V354-L378 PolarHBondContact N-O 2.87Å; V354-L378 PolarHBondContact O-N 3.11Å; L356-L378 HydrophobicContact CD1-CD1 4.05Å; L356-L378 HydrophobicContact CG-CD1 4.43Å; L378-L397 HydrophobicContact CD1-CD2 3.64Å; L378-W409 HydrophobicContact CB-CD2 4.36Å; L378-W409 HydrophobicContact CB-CE3 4.09Å; L378-W409 HydrophobicContact CB-CH2 4.18Å; L378-W409 HydrophobicContact CB-CZ2 4.41Å; L378-W409 HydrophobicContact CB-CZ3 4Å; L378-W409 HydrophobicContact CD1-CB 4.18Å; L378-W409 HydrophobicContact CD1-CD2 3.89Å; L378-W409 HydrophobicContact CD1-CE3 4.09Å; L378-W409 HydrophobicContact CD1-CG 3.92Å; L378-W409 HydrophobicContact CD2-CE3 4.07Å; L378-W409 HydrophobicContact CD2-CZ3 4.44Å; L378-W409 HydrophobicContact CG-CE3 4.32Å; L378-L414 HydrophobicContact CD2-CB 3.87Å; L378-L414 HydrophobicContact CD2-CD2 4.16Å; L378-L414 WeakPolarHBondContact CD2-O 3.35Å
379L92.7Very high81.3Confident123 Ų12357.2 Ų57.264%0.64432%0.32SS*.EExtended strand (participates in β ladder)trans-125.6130.9-177.2-61175.5000109.4K377 W409K377-L379 HydrophobicContact CD-CD2 4.29Å; K377-L379 HydrophobicContact CG-CD2 4.24Å; L379-W409 WeakPolarHBondContact O-CH2 3.19Å
380G89.8Confident83.6Confident44 Ų4453.6 Ų53.645%0.45430%0.295SS..  trans175.2-23.4177.900000115.6
381H93.1Very high85.5Confident9 Ų949.5 Ų49.54%0.04228%0.275CS..  trans-76.8157.1172.3-74.1-70.6000111.8S352 V385 S399 S401 D403 S405 L407S352-H381 WeakPolarHBondContact CB-O 3.12Å; S352-H381 WeakPolarHBondContact O-CB 3.33Å; S352-H381 PolarHBondContact OG-O 3.08Å; H381-V385 HydrophobicContact CB-CG2 4.27Å; H381-V385 VanDerWaalsContact CD2-CG2 3.5Å; H381-V385 WeakPolarHBondContact CD2-CG2 3.19Å; H381-S399 PolarHBondContact CE1-O 2.67Å; H381-S399 WeakPolarHBondContact NE2-CB 3.23Å; H381-S399 PolarHBondContact NE2-O 2.95Å; H381-S399 PolarHBondContact NE2-OG 3.49Å; H381-S401 WeakPolarHBondContact ND1-CB 2.97Å; H381-D403 IonicContact ND1-OD1 3.61Å; H381-D403 IonicContact ND1-OD2 3.31Å; H381-S405 PolarHBondContact ND1-OG 3.47Å; H381-L407 HydrophobicContact CB-CD1 4.45Å; H381-L407 WeakPolarHBondContact CE1-CG 3.47Å
382C92Very high86.9Confident106 Ų10646.9 Ų46.972%0.71627%0.271SS*.SBendtrans-98.5-17.1176-63.70000113.2D403C382-D403 HydrophobicContact CB-CB 4.45Å; C382-D403 PolarHBondContact N-OD2 3.08Å; C382-D403 VanDerWaalsContact N-OD2 3.09Å
383N92.3Very high88.1Confident68 Ų6847 Ų4736%0.36427%0.272SS..SBendtrans-135.4168.9-172.1-85.7-10.4000111.4S352 V385 S401 S402 D403S352-N383 VanDerWaalsContact CA-O 3.3Å; S352-N383 WeakPolarHBondContact CA-O 3.5Å; S352-N383 WeakPolarHBondContact CB-O 3.19Å; N383-V385 PolarHBondContact O-N 3.45Å; N383-S401 VanDerWaalsContact CB-OG 3.31Å; N383-S401 WeakPolarHBondContact CB-OG 3.21Å; N383-S401 PolarHBondContact O-OG 2.73Å; N383-S402 WeakPolarHBondContact CB-OG 3.37Å; N383-D403 HydrophobicContact CB-CB 3.96Å; N383-D403 PolarHBondContact ND2-N 3.02Å
384P92.8Very high89.3Confident32 Ų3240.1 Ų40.121%0.20824%0.24CC..  trans-47.1136175.8-3034.6000113.6S350 Y386 S401 S402S350-P384 WeakPolarHBondContact O-CG 3.24Å; P384-Y386 HydrophobicContact CB-CE1 4.37Å; P384-Y386 HydrophobicContact CB-CE2 3.7Å; P384-Y386 WeakPolarHBondContact O-CD2 3.49Å; P384-S401 VanDerWaalsContact O-CA 3.31Å; P384-S401 WeakPolarHBondContact O-CA 3.5Å; P384-S401 WeakPolarHBondContact O-CB 3.4Å; P384-S401 PolarHBondContact O-OG 2.88Å; P384-S402 PolarHBondContact O-N 2.99Å
385V94.3Very high90.1Very high0 Ų041.8 Ų41.80%023%0.232CC..EExtended strand (participates in β ladder)trans-89.4119.9177.9-177.40000108.8C334 N349 V354 H381 N383 G387 V388 C400C334-V385 WeakPolarHBondContact CB-O 3.5Å; N349-V385 PolarHBondContact O-N 2.94Å; V354-V385 HydrophobicContact CG2-CG1 4.13Å; V354-V385 HydrophobicContact CG2-CG2 4.13Å; H381-V385 HydrophobicContact CB-CG2 4.27Å; H381-V385 VanDerWaalsContact CD2-CG2 3.5Å; H381-V385 WeakPolarHBondContact CD2-CG2 3.19Å; N383-V385 PolarHBondContact O-N 3.45Å; V385-G387 WeakPolarHBondContact CG1-O 3.4Å; V385-V388 HydrophobicContact CG1-CG1 3.89Å; V385-C400 CarbonylContact C-O 3.54Å; V385-C400 WeakPolarHBondContact CA-O 3.36Å; V385-C400 VanDerWaalsContact CG1-O 3.32Å; V385-C400 WeakPolarHBondContact CG1-O 3.47Å
386Y93.8Very high90.6Very high35 Ų3538.5 Ų38.514%0.13722%0.219CC..EExtended strand (participates in β ladder)trans-104.8-19.4-176.4-68.4-70.9000113.8C334 C335 P384 C400 W428 R624C334-Y386 HydrophobicContact CB-CD1 4.3Å; C335-Y386 WeakPolarHBondContact CB-O 3.5Å; C335-Y386 PolarHBondContact SG-O 2.95Å; C335-Y386 VanDerWaalsContact SG-O 3.37Å; P384-Y386 HydrophobicContact CB-CE1 4.37Å; P384-Y386 HydrophobicContact CB-CE2 3.7Å; P384-Y386 WeakPolarHBondContact O-CD2 3.49Å; Y386-C400 PolarHBondContact N-O 2.72Å; Y386-W428 CarbonylContact C-O 3.57Å; Y386-W428 VanDerWaalsContact C-O 3.29Å; Y386-W428 WeakPolarHBondContact CB-O 3.35Å; Y386-W428 AromaticContact CD2-CE3 3.92Å; Y386-W428 HydrophobicContact CD2-CE3 3.92Å; Y386-W428 AromaticContact CD2-CZ3 3.89Å; Y386-W428 HydrophobicContact CD2-CZ3 3.89Å; Y386-W428 HydrophobicContact CE2-CE3 4.46Å; Y386-W428 AromaticContact CE2-CZ3 3.98Å; Y386-W428 HydrophobicContact CE2-CZ3 3.98Å; Y386-W428 HydrophobicContact CG-CE3 4.21Å; Y386-W428 HydrophobicContact CG-CZ3 4.49Å; Y386-R624 VanDerWaalsContact CE2-NH2 3.34Å; Y386-R624 PolarHBondContact OH-NH2 3.37Å; Y386-R624 VanDerWaalsContact OH-NH2 3.1Å
387G94.4Very high91Very high1 Ų137 Ų371%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-136.4141.7175.900000111.4V385 S399 C400V385-G387 WeakPolarHBondContact CG1-O 3.4Å; G387-S399 CarbonylContact O-C 3.57Å; G387-S399 WeakPolarHBondContact O-CA 3.38Å; G387-C400 WeakPolarHBondContact CA-SG 3.38Å; G387-C400 PolarHBondContact N-O 2.93Å; G387-C400 PolarHBondContact N-SG 3.37Å; G387-C400 VanDerWaalsContact N-SG 3.4Å; G387-C400 PolarHBondContact O-N 2.96Å
388V95.9Very high91.3Very high8 Ų832.3 Ų32.35%0.04819%0.188CC..EExtended strand (participates in β ladder)trans-136.4143.5170.3-69.80000107.9D337 A346 V354 V385 F398D337-V388 HydrophobicContact CB-CG2 3.81Å; D337-V388 WeakPolarHBondContact CB-O 3.33Å; A346-V388 HydrophobicContact CB-CB 4.44Å; A346-V388 HydrophobicContact CB-CG2 4.26Å; V354-V388 HydrophobicContact CG1-CG1 4.1Å; V354-V388 HydrophobicContact CG2-CG1 4.37Å; V385-V388 HydrophobicContact CG1-CG1 3.89Å; V388-F398 CarbonylContact C-O 3.56Å; V388-F398 VanDerWaalsContact CA-O 3.27Å; V388-F398 WeakPolarHBondContact CA-O 3.44Å
389S96.1Very high91.6Very high14 Ų1431.9 Ų31.910%0.09819%0.186CC..EExtended strand (participates in β ladder)trans-147.1121.8174.8-177.80000111.4D337 F398 V430 S432D337-S389 WeakPolarHBondContact OD2-CA 3.17Å; S389-F398 PolarHBondContact N-O 2.79Å; S389-F398 PolarHBondContact O-N 3.3Å; S389-V430 WeakPolarHBondContact CB-O 3.49Å; S389-S432 PolarHBondContact OG-N 3.31Å
390C92.8Very high91.7Very high12 Ų1226 Ų268%0.08116%0.155CC..EExtended strand (participates in β ladder)trans-85.1136.7172.1-740000110.5D337 T339 L397D337-C390 PolarHBondContact OD2-N 2.96Å; T339-C390 HydrophobicContact CG2-CB 3.86Å; C390-L397 WeakPolarHBondContact SG-CD1 3.48Å
391Q89.5Confident91.9Very high21 Ų2124 Ų2410%0.09813%0.133CC..  trans-71.3147.2170.1-169.8169.4-53.500110.6D393 K394 L396Q391-D393 VanDerWaalsContact CG-OD1 3.27Å; Q391-D393 WeakPolarHBondContact CG-OD1 3.21Å; Q391-D393 VanDerWaalsContact NE2-CG 3.26Å; Q391-D393 PolarHBondContact NE2-OD1 2.79Å; Q391-D393 VanDerWaalsContact NE2-OD1 3.13Å; Q391-D393 PolarHBondContact NE2-OD2 3.09Å; Q391-D393 PolarHBondContact O-N 2.74Å; Q391-D393 VanDerWaalsContact O-N 3.1Å; Q391-K394 PolarHBondContact O-N 3.11Å; Q391-L396 HydrophobicContact CB-CB 4.19Å; Q391-L396 PolarHBondContact N-O 2.98Å
392C83Confident91.9Very high61 Ų6124.6 Ų24.641%0.41214%0.139SC..THydrogen-bonded Turntrans-60.5-22.3-176.2-61.30000114.9N299 K394N299-C392 PolarHBondContact ND2-O 3Å; C392-K394 VanDerWaalsContact C-N 3.33Å
393D80.5Confident91.9Very high18 Ų1820.6 Ų20.610%0.09611%0.111CC..THydrogen-bonded Turntrans-87.81.5175.866.2-1000113.7Q391 R395Q391-D393 VanDerWaalsContact CG-OD1 3.27Å; Q391-D393 WeakPolarHBondContact CG-OD1 3.21Å; Q391-D393 VanDerWaalsContact NE2-CG 3.26Å; Q391-D393 PolarHBondContact NE2-OD1 2.79Å; Q391-D393 VanDerWaalsContact NE2-OD1 3.13Å; Q391-D393 PolarHBondContact NE2-OD2 3.09Å; Q391-D393 PolarHBondContact O-N 2.74Å; Q391-D393 VanDerWaalsContact O-N 3.1Å; D393-R395 PolarHBondContact O-N 3.18Å; D393-R395 PolarHBondContact OD1-N 3.39Å; D393-R395 VanDerWaalsContact OD1-N 3.13Å
394K83.7Confident91.9Very high8 Ų817.6 Ų17.64%0.03510%0.095CC..SBendtrans56.226.5-179.2-63.9-176.8-97.1164.10114.5T339 D341 E343 F364 Q391 C392 L411T339-K394 HydrophobicContact CG2-CD 4.08Å; T339-K394 HydrophobicContact CG2-CG 3.81Å; D341-K394 IonicContact OD1-NZ 3.81Å; D341-K394 WeakPolarHBondContact OD2-CE 3.12Å; D341-K394 IonicContact OD2-NZ 3.7Å; D341-K394 PolarHBondContact OD2-NZ 2.78Å; E343-K394 IonicContact OE2-NZ 3.26Å; E343-K394 PolarHBondContact OE2-NZ 3.43Å; F364-K394 PolarHBondContact O-NZ 3.28Å; Q391-K394 PolarHBondContact O-N 3.11Å; C392-K394 VanDerWaalsContact C-N 3.33Å; K394-L411 WeakPolarHBondContact O-CB 3.41Å; K394-L411 WeakPolarHBondContact O-CD1 3.48Å
395R86Confident91.9Very high81 Ų8116.4 Ų16.431%0.3069%0.088SC..SBendtrans-93.4-37.4175.2-70.4179.9170.2-180-7.1113.1E295 D393 L411E295-R395 IonicContact OE1-CZ 2.65Å; E295-R395 IonicContact OE1-NH2 3.79Å; E295-R395 PolarHBondContact OE1-NH2 2.88Å; E295-R395 IonicContact OE2-CZ 2.64Å; E295-R395 IonicContact OE2-NH2 3.11Å; E295-R395 PolarHBondContact OE2-NH2 3.44Å; D393-R395 PolarHBondContact O-N 3.18Å; D393-R395 PolarHBondContact OD1-N 3.39Å; D393-R395 VanDerWaalsContact OD1-N 3.13Å; R395-L411 PolarHBondContact O-N 3.49Å
396L92.1Very high92Very high29 Ų2916.4 Ų16.415%0.1529%0.088CC..EExtended strand (participates in β ladder)trans-121.5145.2-172.3-61-179.8000111.1Q391 F398 L408 W409 L417 V453Q391-L396 HydrophobicContact CB-CB 4.19Å; Q391-L396 PolarHBondContact N-O 2.98Å; L396-F398 HydrophobicContact CB-CE2 4.35Å; L396-L408 HydrophobicContact CB-CD1 3.89Å; L396-L408 HydrophobicContact CD1-CD1 4.17Å; L396-L408 HydrophobicContact CD2-CD1 4.03Å; L396-L408 HydrophobicContact CG-CD1 4.23Å; L396-W409 WeakPolarHBondContact CA-O 3.44Å; L396-L417 HydrophobicContact CD2-CD1 3.74Å; L396-V453 HydrophobicContact CD1-CG1 4.33Å
397L94.5Very high92.2Very high0 Ų015 Ų150%08%0.083CC..EExtended strand (participates in β ladder)trans-128.2134.4172.2168.978000108.5A346 V354 L356 L378 C390 W409 L411A346-L397 HydrophobicContact CB-CD1 3.81Å; V354-L397 HydrophobicContact CG1-CD2 4.01Å; L356-L397 HydrophobicContact CD2-CD2 3.97Å; L378-L397 HydrophobicContact CD1-CD2 3.64Å; C390-L397 WeakPolarHBondContact SG-CD1 3.48Å; L397-W409 HydrophobicContact CB-CB 4.2Å; L397-W409 HydrophobicContact CD2-CB 4.41Å; L397-W409 HydrophobicContact CD2-CG 4.35Å; L397-W409 PolarHBondContact N-O 3.19Å; L397-W409 PolarHBondContact O-N 3.38Å; L397-L411 HydrophobicContact CB-CD1 4.41Å; L397-L411 HydrophobicContact CB-CD2 3.92Å; L397-L411 HydrophobicContact CB-CG 4.11Å; L397-L411 HydrophobicContact CD2-CD2 4.32Å
398F96.5Very high92.2Very high0 Ų015.1 Ų15.10%08%0.083CC..EExtended strand (participates in β ladder)trans-106.6141.3173.5-58.5-92.7000109.2V388 S389 L396 L407 L408 V430 S432 F439 V453V388-F398 CarbonylContact C-O 3.56Å; V388-F398 VanDerWaalsContact CA-O 3.27Å; V388-F398 WeakPolarHBondContact CA-O 3.44Å; S389-F398 PolarHBondContact N-O 2.79Å; S389-F398 PolarHBondContact O-N 3.3Å; L396-F398 HydrophobicContact CB-CE2 4.35Å; F398-L407 WeakPolarHBondContact CA-O 3.4Å; F398-L408 HydrophobicContact CD1-CD1 3.94Å; F398-L408 HydrophobicContact CE1-CD1 3.57Å; F398-L408 HydrophobicContact CE2-CD1 4.29Å; F398-L408 HydrophobicContact CG-CD1 4.46Å; F398-L408 HydrophobicContact CZ-CD1 3.75Å; F398-V430 HydrophobicContact CB-CG1 4.25Å; F398-V430 HydrophobicContact CB-CG2 3.72Å; F398-V430 HydrophobicContact CG-CG2 4.44Å; F398-S432 WeakPolarHBondContact CE2-OG 3.39Å; F398-F439 HydrophobicContact CD1-CB 4.19Å; F398-F439 HydrophobicContact CD1-CD1 4Å; F398-F439 AromaticContact CD1-CD2 3.96Å; F398-F439 HydrophobicContact CD1-CD2 3.96Å; F398-F439 HydrophobicContact CD1-CE1 4.33Å; F398-F439 HydrophobicContact CD1-CE2 4.3Å; F398-F439 AromaticContact CD1-CG 3.79Å; F398-F439 HydrophobicContact CD1-CG 3.79Å; F398-F439 HydrophobicContact CD1-CZ 4.47Å; F398-F439 HydrophobicContact CE1-CB 3.95Å; F398-F439 AromaticContact CE1-CD1 3.32Å; F398-F439 HydrophobicContact CE1-CD1 3.32Å; F398-F439 HydrophobicContact CE1-CD2 4.13Å; F398-F439 AromaticContact CE1-CE1 3.73Å; F398-F439 HydrophobicContact CE1-CE1 3.73Å; F398-F439 HydrophobicContact CE1-CE2 4.48Å; F398-F439 AromaticContact CE1-CG 3.54Å; F398-F439 HydrophobicContact CE1-CG 3.54Å; F398-F439 HydrophobicContact CE1-CZ 4.29Å; F398-F439 HydrophobicContact CE2-CB 4.48Å; F398-F439 HydrophobicContact CZ-CB 4.12Å; F398-F439 AromaticContact CZ-CD1 3.93Å; F398-F439 HydrophobicContact CZ-CD1 3.93Å; F398-F439 HydrophobicContact CZ-CG 4.16Å; F398-V453 HydrophobicContact CE1-CG2 4.24Å; F398-V453 HydrophobicContact CZ-CG2 3.87Å
399S96.8Very high92.2Very high0 Ų015 Ų150%08%0.082CC..EExtended strand (participates in β ladder)trans-138.3138.8171.963.20000111H381 G387 C406 L407 W409H381-S399 PolarHBondContact CE1-O 2.67Å; H381-S399 WeakPolarHBondContact NE2-CB 3.23Å; H381-S399 PolarHBondContact NE2-O 2.95Å; H381-S399 PolarHBondContact NE2-OG 3.49Å; G387-S399 CarbonylContact O-C 3.57Å; G387-S399 WeakPolarHBondContact O-CA 3.38Å; S399-C406 CarbonylContact O-C 3.52Å; S399-C406 VanDerWaalsContact O-CA 3.26Å; S399-C406 WeakPolarHBondContact O-CA 3.32Å; S399-L407 PolarHBondContact N-O 3.26Å; S399-L407 PolarHBondContact O-N 2.9Å; S399-W409 PolarHBondContact OG-NE1 2.78Å
400C95.2Very high92Very high0 Ų015 Ų150%08%0.081CC..EExtended strand (participates in β ladder)trans-124.5147.8178.573.10000112V385 Y386 G387 S405 C406 L427 V430V385-C400 CarbonylContact C-O 3.54Å; V385-C400 WeakPolarHBondContact CA-O 3.36Å; V385-C400 VanDerWaalsContact CG1-O 3.32Å; V385-C400 WeakPolarHBondContact CG1-O 3.47Å; Y386-C400 PolarHBondContact N-O 2.72Å; G387-C400 WeakPolarHBondContact CA-SG 3.38Å; G387-C400 PolarHBondContact N-O 2.93Å; G387-C400 PolarHBondContact N-SG 3.37Å; G387-C400 VanDerWaalsContact N-SG 3.4Å; G387-C400 PolarHBondContact O-N 2.96Å; C400-S405 WeakPolarHBondContact CA-O 3.4Å; C400-C406 HydrophobicContact CB-CB 4.47Å; C400-L427 HydrophobicContact CB-CB 3.75Å; C400-L427 HydrophobicContact CB-CD1 4.04Å; C400-V430 HydrophobicContact CB-CB 4.14Å; C400-V430 HydrophobicContact CB-CG1 4.23Å
401S95Very high91.7Very high0 Ų014.4 Ų14.40%08%0.077CC..EExtended strand (participates in β ladder)trans-134.1163.3-171173.70000111.9H381 N383 P384 D403 G404 S405 L427H381-S401 WeakPolarHBondContact ND1-CB 2.97Å; N383-S401 VanDerWaalsContact CB-OG 3.31Å; N383-S401 WeakPolarHBondContact CB-OG 3.21Å; N383-S401 PolarHBondContact O-OG 2.73Å; P384-S401 VanDerWaalsContact O-CA 3.31Å; P384-S401 WeakPolarHBondContact O-CA 3.5Å; P384-S401 WeakPolarHBondContact O-CB 3.4Å; P384-S401 PolarHBondContact O-OG 2.88Å; S401-D403 WeakPolarHBondContact CB-OD1 3.35Å; S401-D403 PolarHBondContact O-N 2.99Å; S401-D403 PolarHBondContact OG-N 2.78Å; S401-G404 PolarHBondContact O-N 2.65Å; S401-S405 PolarHBondContact N-O 2.84Å; S401-L427 PolarHBondContact O-N 3.25Å; S401-L427 VanDerWaalsContact O-N 3.14Å
402S92.5Very high91.3Very high23 Ų2316.8 Ų16.816%0.1619%0.088CC..THydrogen-bonded Turntrans-68.3-6.4172550000114.6N383 P384 G404N383-S402 WeakPolarHBondContact CB-OG 3.37Å; P384-S402 PolarHBondContact O-N 2.99Å; S402-G404 PolarHBondContact O-N 3.3Å
403D91.9Very high91.3Very high22 Ų2219.1 Ų19.112%0.1189%0.093CC..THydrogen-bonded Turntrans-72.5-0.9168.462.820.3000114.1H381 C382 N383 S401 S405 K421H381-D403 IonicContact ND1-OD1 3.61Å; H381-D403 IonicContact ND1-OD2 3.31Å; C382-D403 HydrophobicContact CB-CB 4.45Å; C382-D403 PolarHBondContact N-OD2 3.08Å; C382-D403 VanDerWaalsContact N-OD2 3.09Å; N383-D403 HydrophobicContact CB-CB 3.96Å; N383-D403 PolarHBondContact ND2-N 3.02Å; S401-D403 WeakPolarHBondContact CB-OD1 3.35Å; S401-D403 PolarHBondContact O-N 2.99Å; S401-D403 PolarHBondContact OG-N 2.78Å; D403-S405 VanDerWaalsContact C-N 3.29Å; D403-S405 VanDerWaalsContact CG-OG 3.23Å; D403-S405 PolarHBondContact O-N 2.83Å; D403-S405 WeakPolarHBondContact OD1-CA 3.41Å; D403-S405 VanDerWaalsContact OD1-CB 3.25Å; D403-S405 WeakPolarHBondContact OD1-CB 3.33Å; D403-S405 PolarHBondContact OD1-N 3.3Å; D403-S405 PolarHBondContact OD1-OG 2.96Å; D403-S405 PolarHBondContact OD2-OG 3.35Å; D403-K421 PolarHBondContact O-NZ 3.41Å
404G91.6Very high91.7Very high4 Ų420.8 Ų20.84%0.04110%0.102CC..SBendtrans798.8-179.900000114.2S401 S402 S425S401-G404 PolarHBondContact O-N 2.65Å; S402-G404 PolarHBondContact O-N 3.3Å; G404-S425 WeakPolarHBondContact CA-O 3.49Å
405S94.7Very high92.1Very high8 Ų827.9 Ų27.96%0.05613%0.128CC..EExtended strand (participates in β ladder)trans-99.5144.7177.973.10000112.3H381 C400 S401 D403H381-S405 PolarHBondContact ND1-OG 3.47Å; C400-S405 WeakPolarHBondContact CA-O 3.4Å; S401-S405 PolarHBondContact N-O 2.84Å; D403-S405 VanDerWaalsContact C-N 3.29Å; D403-S405 VanDerWaalsContact CG-OG 3.23Å; D403-S405 PolarHBondContact O-N 2.83Å; D403-S405 WeakPolarHBondContact OD1-CA 3.41Å; D403-S405 VanDerWaalsContact OD1-CB 3.25Å; D403-S405 WeakPolarHBondContact OD1-CB 3.33Å; D403-S405 PolarHBondContact OD1-N 3.3Å; D403-S405 PolarHBondContact OD1-OG 2.96Å; D403-S405 PolarHBondContact OD2-OG 3.35Å
406C96Very high92.5Very high0 Ų027.6 Ų27.60%013%0.132CC..EExtended strand (participates in β ladder)trans-112.4124.2163.21800000108.5S399 C400 Y420 L427 T441S399-C406 CarbonylContact O-C 3.52Å; S399-C406 VanDerWaalsContact O-CA 3.26Å; S399-C406 WeakPolarHBondContact O-CA 3.32Å; C400-C406 HydrophobicContact CB-CB 4.47Å; C406-Y420 PolarHBondContact N-O 3.36Å; C406-Y420 PolarHBondContact O-N 3.35Å; C406-L427 HydrophobicContact CB-CD1 4.06Å; C406-T441 HydrophobicContact CB-CG2 3.96Å
407L96.5Very high92.5Very high6 Ų630.4 Ų30.43%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-104.3139.5-179.3-61.6-175000110H381 F398 S399 W409 L416 V419H381-L407 HydrophobicContact CB-CD1 4.45Å; H381-L407 WeakPolarHBondContact CE1-CG 3.47Å; F398-L407 WeakPolarHBondContact CA-O 3.4Å; S399-L407 PolarHBondContact N-O 3.26Å; S399-L407 PolarHBondContact O-N 2.9Å; L407-W409 HydrophobicContact CB-CZ2 3.95Å; L407-W409 HydrophobicContact CD1-CH2 4.16Å; L407-W409 HydrophobicContact CD1-CZ2 3.54Å; L407-W409 HydrophobicContact CG-CZ2 4.39Å; L407-L416 HydrophobicContact CB-CD1 3.65Å; L407-L416 HydrophobicContact CD1-CD1 4.19Å; L407-L416 HydrophobicContact CD2-CD1 3.91Å; L407-L416 HydrophobicContact CD2-CD2 4.5Å; L407-L416 HydrophobicContact CG-CD1 4.11Å; L407-V419 HydrophobicContact CD2-CB 4Å; L407-V419 HydrophobicContact CD2-CG1 3.76Å; L407-V419 HydrophobicContact CD2-CG2 3.62Å
408L96.5Very high92.5Very high3 Ų333.1 Ų33.12%0.01616%0.162CC..EExtended strand (participates in β ladder)trans-109.3125.7174.6171.465.5000109.9L396 F398 L416 L417 N418 Y420 V453L396-L408 HydrophobicContact CB-CD1 3.89Å; L396-L408 HydrophobicContact CD1-CD1 4.17Å; L396-L408 HydrophobicContact CD2-CD1 4.03Å; L396-L408 HydrophobicContact CG-CD1 4.23Å; F398-L408 HydrophobicContact CD1-CD1 3.94Å; F398-L408 HydrophobicContact CE1-CD1 3.57Å; F398-L408 HydrophobicContact CE2-CD1 4.29Å; F398-L408 HydrophobicContact CG-CD1 4.46Å; F398-L408 HydrophobicContact CZ-CD1 3.75Å; L408-L416 WeakPolarHBondContact O-CD1 3.41Å; L408-L417 HydrophobicContact CD2-CB 4.22Å; L408-L417 HydrophobicContact CD2-CD1 4.3Å; L408-L417 HydrophobicContact CG-CB 4.17Å; L408-L417 HydrophobicContact CG-CD1 4.29Å; L408-L417 PolarHBondContact O-N 3.42Å; L408-N418 HydrophobicContact CB-CB 4.19Å; L408-N418 HydrophobicContact CD2-CB 4.23Å; L408-N418 PolarHBondContact N-O 3.11Å; L408-N418 PolarHBondContact O-N 3.36Å; L408-Y420 HydrophobicContact CB-CE2 3.84Å; L408-Y420 HydrophobicContact CD2-CE2 4.37Å; L408-V453 HydrophobicContact CD2-CG1 3.79Å
409W94.5Very high92.4Very high6 Ų636.8 Ų36.82%0.02318%0.184CC..EExtended strand (participates in β ladder)trans-114.5142.4-179-4888.2000110.6L378 L379 L396 L397 S399 L407 R415 L416L378-W409 HydrophobicContact CB-CD2 4.36Å; L378-W409 HydrophobicContact CB-CE3 4.09Å; L378-W409 HydrophobicContact CB-CH2 4.18Å; L378-W409 HydrophobicContact CB-CZ2 4.41Å; L378-W409 HydrophobicContact CB-CZ3 4Å; L378-W409 HydrophobicContact CD1-CB 4.18Å; L378-W409 HydrophobicContact CD1-CD2 3.89Å; L378-W409 HydrophobicContact CD1-CE3 4.09Å; L378-W409 HydrophobicContact CD1-CG 3.92Å; L378-W409 HydrophobicContact CD2-CE3 4.07Å; L378-W409 HydrophobicContact CD2-CZ3 4.44Å; L378-W409 HydrophobicContact CG-CE3 4.32Å; L379-W409 WeakPolarHBondContact O-CH2 3.19Å; L396-W409 WeakPolarHBondContact CA-O 3.44Å; L397-W409 HydrophobicContact CB-CB 4.2Å; L397-W409 HydrophobicContact CD2-CB 4.41Å; L397-W409 HydrophobicContact CD2-CG 4.35Å; L397-W409 PolarHBondContact N-O 3.19Å; L397-W409 PolarHBondContact O-N 3.38Å; S399-W409 PolarHBondContact OG-NE1 2.78Å; L407-W409 HydrophobicContact CB-CZ2 3.95Å; L407-W409 HydrophobicContact CD1-CH2 4.16Å; L407-W409 HydrophobicContact CD1-CZ2 3.54Å; L407-W409 HydrophobicContact CG-CZ2 4.39Å; W409-R415 CarbonylContact C-O 3.58Å; W409-R415 VanDerWaalsContact CA-O 3.29Å; W409-R415 WeakPolarHBondContact CA-O 3.18Å; W409-L416 HydrophobicContact CD2-CD1 4.18Å; W409-L416 HydrophobicContact CE3-CB 3.93Å; W409-L416 HydrophobicContact CE3-CD1 4.19Å; W409-L416 HydrophobicContact CH2-CB 4.35Å; W409-L416 HydrophobicContact CH2-CD1 4.13Å; W409-L416 HydrophobicContact CZ2-CD1 4.15Å; W409-L416 HydrophobicContact CZ3-CB 3.73Å; W409-L416 HydrophobicContact CZ3-CD1 4.16Å
410T92.3Very high92.3Very high12 Ų1236.9 Ų36.97%0.07418%0.184CC..EExtended strand (participates in β ladder)trans-85.2129.7162169.60000109.4E412 Q413 L414 R415 L417T410-E412 PolarHBondContact OG1-N 3.23Å; T410-Q413 HydrophobicContact CG2-CB 3.88Å; T410-L414 WeakPolarHBondContact O-CA 3.2Å; T410-L414 PolarHBondContact O-N 3.34Å; T410-R415 HydrophobicContact CG2-CB 3.89Å; T410-R415 WeakPolarHBondContact CG2-O 3.47Å; T410-R415 PolarHBondContact N-O 2.92Å; T410-R415 PolarHBondContact O-N 3.17Å; T410-L417 HydrophobicContact CG2-CD1 4.44Å; T410-L417 HydrophobicContact CG2-CD2 3.84Å; T410-L417 HydrophobicContact CG2-CG 4.03Å
411L86.6Confident92Very high0 Ų041.8 Ų41.80%021%0.206CC..THydrogen-bonded Turntrans-78.8-22.3175.7-69.9174.9000112.5L344 L356 T365 M372 K394 R395 L397 L414L344-L411 HydrophobicContact CD2-CD1 3.81Å; L344-L411 HydrophobicContact CD2-CD2 4.12Å; L356-L411 HydrophobicContact CD1-CD2 3.57Å; L356-L411 HydrophobicContact CD2-CD2 4.43Å; T365-L411 HydrophobicContact CG2-CB 4.45Å; M372-L411 WeakPolarHBondContact CE-O 3.17Å; K394-L411 WeakPolarHBondContact O-CB 3.41Å; K394-L411 WeakPolarHBondContact O-CD1 3.48Å; R395-L411 PolarHBondContact O-N 3.49Å; L397-L411 HydrophobicContact CB-CD1 4.41Å; L397-L411 HydrophobicContact CB-CD2 3.92Å; L397-L411 HydrophobicContact CB-CG 4.11Å; L397-L411 HydrophobicContact CD2-CD2 4.32Å; L411-L414 HydrophobicContact CD2-CD2 4.5Å
412E81.1Confident91.5Very high71 Ų7144.6 Ų44.633%0.33222%0.22SC..THydrogen-bonded Turntrans-68.2-46.4177.3-56.9-177.8161.800111.5S366 Q370 T410S366-E412 WeakPolarHBondContact CB-OE1 3.38Å; S366-E412 WeakPolarHBondContact OG-CG 3.31Å; S366-E412 PolarHBondContact OG-OE1 3.24Å; Q370-E412 PolarHBondContact OE1-O 3.02Å; Q370-E412 VanDerWaalsContact OE1-O 3.09Å; T410-E412 PolarHBondContact OG1-N 3.23Å
413Q83.8Confident91Very high111 Ų11145 Ų4552%0.51923%0.228SC..THydrogen-bonded Turntrans-104.6-5.3-176.7-57-177.23.200113.2T410 R415T410-Q413 HydrophobicContact CG2-CB 3.88Å; Q413-R415 VanDerWaalsContact C-N 3.28Å; Q413-R415 HydrophobicContact CB-CB 4.37Å; Q413-R415 HydrophobicContact CB-CG 4.17Å; Q413-R415 WeakPolarHBondContact O-CG 3.32Å; Q413-R415 PolarHBondContact O-N 2.96Å; Q413-R415 VanDerWaalsContact OE1-NH1 3.1Å
414L87.7Confident90.6Very high53 Ų5351.1 Ų51.128%0.27726%0.26SS..THydrogen-bonded Turntrans52.145.6-173.4-63.9177.2000112.4L356 M372 L378 T410 L411L356-L414 HydrophobicContact CD1-CD2 3.49Å; L356-L414 VanDerWaalsContact CD1-CD2 3.49Å; M372-L414 HydrophobicContact CE-CD1 3.96Å; M372-L414 HydrophobicContact CE-CD2 3.53Å; M372-L414 HydrophobicContact CE-CG 3.82Å; M372-L414 HydrophobicContact SD-CD1 4.29Å; M372-L414 HydrophobicContact SD-CD2 4.34Å; L378-L414 HydrophobicContact CD2-CB 3.87Å; L378-L414 HydrophobicContact CD2-CD2 4.16Å; L378-L414 WeakPolarHBondContact CD2-O 3.35Å; T410-L414 WeakPolarHBondContact O-CA 3.2Å; T410-L414 PolarHBondContact O-N 3.34Å; L411-L414 HydrophobicContact CD2-CD2 4.5Å
415R91.6Very high90.5Very high157 Ų15752.4 Ų52.459%0.59227%0.268SS*.EExtended strand (participates in β ladder)trans-123.3149.9-175.9-75.6173.2-177171.6-4.7111.6W409 T410 Q413W409-R415 CarbonylContact C-O 3.58Å; W409-R415 VanDerWaalsContact CA-O 3.29Å; W409-R415 WeakPolarHBondContact CA-O 3.18Å; T410-R415 HydrophobicContact CG2-CB 3.89Å; T410-R415 WeakPolarHBondContact CG2-O 3.47Å; T410-R415 PolarHBondContact N-O 2.92Å; T410-R415 PolarHBondContact O-N 3.17Å; Q413-R415 VanDerWaalsContact C-N 3.28Å; Q413-R415 HydrophobicContact CB-CB 4.37Å; Q413-R415 HydrophobicContact CB-CG 4.17Å; Q413-R415 WeakPolarHBondContact O-CG 3.32Å; Q413-R415 PolarHBondContact O-N 2.96Å; Q413-R415 VanDerWaalsContact OE1-NH1 3.1Å
416L94.5Very high90.4Very high74 Ų7453.9 Ų53.939%0.38728%0.277SS..EExtended strand (participates in β ladder)trans-69.9128.1169.3-175.969.9000109.5L407 L408 W409 V419L407-L416 HydrophobicContact CB-CD1 3.65Å; L407-L416 HydrophobicContact CD1-CD1 4.19Å; L407-L416 HydrophobicContact CD2-CD1 3.91Å; L407-L416 HydrophobicContact CD2-CD2 4.5Å; L407-L416 HydrophobicContact CG-CD1 4.11Å; L408-L416 WeakPolarHBondContact O-CD1 3.41Å; W409-L416 HydrophobicContact CD2-CD1 4.18Å; W409-L416 HydrophobicContact CE3-CB 3.93Å; W409-L416 HydrophobicContact CE3-CD1 4.19Å; W409-L416 HydrophobicContact CH2-CB 4.35Å; W409-L416 HydrophobicContact CH2-CD1 4.13Å; W409-L416 HydrophobicContact CZ2-CD1 4.15Å; W409-L416 HydrophobicContact CZ3-CB 3.73Å; W409-L416 HydrophobicContact CZ3-CD1 4.16Å; L416-V419 HydrophobicContact CD2-CG2 4.07Å
417L93.4Very high90.3Very high88 Ų8854.5 Ų54.546%0.46128%0.281SS..EExtended strand (participates in β ladder)trans-98.4-53.1174.5-64.7-179.9000111.4L396 L408 T410L396-L417 HydrophobicContact CD2-CD1 3.74Å; L408-L417 HydrophobicContact CD2-CB 4.22Å; L408-L417 HydrophobicContact CD2-CD1 4.3Å; L408-L417 HydrophobicContact CG-CB 4.17Å; L408-L417 HydrophobicContact CG-CD1 4.29Å; L408-L417 PolarHBondContact O-N 3.42Å; T410-L417 HydrophobicContact CG2-CD1 4.44Å; T410-L417 HydrophobicContact CG2-CD2 3.84Å; T410-L417 HydrophobicContact CG2-CG 4.03Å
418N94.1Very high90.2Very high58 Ų5855.4 Ų55.431%0.3128%0.284SS..EExtended strand (participates in β ladder)trans-141.5156.5-172.9-79.3-33.8000112.5L408 Y420L408-N418 HydrophobicContact CB-CB 4.19Å; L408-N418 HydrophobicContact CD2-CB 4.23Å; L408-N418 PolarHBondContact N-O 3.11Å; L408-N418 PolarHBondContact O-N 3.36Å; N418-Y420 HydrophobicContact CB-CE2 3.76Å; N418-Y420 PolarHBondContact ND2-OH 3.3Å
419V94.5Very high90.2Very high76 Ų7655.6 Ų55.646%0.46129%0.285SS..EExtended strand (participates in β ladder)trans-121124.6172.6-175.50000108.2L407 L416L407-V419 HydrophobicContact CD2-CB 4Å; L407-V419 HydrophobicContact CD2-CG1 3.76Å; L407-V419 HydrophobicContact CD2-CG2 3.62Å; L416-V419 HydrophobicContact CD2-CG2 4.07Å
420Y94.2Very high90.3Very high3 Ų355.5 Ų55.51%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-110.3123.5174.6-54.4-92000108.9C406 L408 N418 F439 W451 V453 R455C406-Y420 PolarHBondContact N-O 3.36Å; C406-Y420 PolarHBondContact O-N 3.35Å; L408-Y420 HydrophobicContact CB-CE2 3.84Å; L408-Y420 HydrophobicContact CD2-CE2 4.37Å; N418-Y420 HydrophobicContact CB-CE2 3.76Å; N418-Y420 PolarHBondContact ND2-OH 3.3Å; Y420-F439 HydrophobicContact CD1-CE1 4.43Å; Y420-F439 AromaticContact CD1-CZ 3.81Å; Y420-F439 HydrophobicContact CD1-CZ 3.81Å; Y420-F439 HydrophobicContact CD2-CE1 4.39Å; Y420-F439 HydrophobicContact CD2-CE2 4.36Å; Y420-F439 AromaticContact CD2-CZ 3.61Å; Y420-F439 HydrophobicContact CD2-CZ 3.61Å; Y420-F439 HydrophobicContact CE1-CE1 4.08Å; Y420-F439 AromaticContact CE1-CZ 3.91Å; Y420-F439 HydrophobicContact CE1-CZ 3.91Å; Y420-F439 HydrophobicContact CE2-CE1 4.06Å; Y420-F439 AromaticContact CE2-CZ 3.73Å; Y420-F439 HydrophobicContact CE2-CZ 3.73Å; Y420-F439 HydrophobicContact CG-CE2 4.45Å; Y420-F439 AromaticContact CG-CZ 3.66Å; Y420-F439 HydrophobicContact CG-CZ 3.66Å; Y420-F439 AromaticContact CZ-CE1 3.89Å; Y420-F439 AromaticContact CZ-CZ 3.88Å; Y420-W451 HydrophobicContact CD1-CE3 4Å; Y420-W451 HydrophobicContact CD1-CZ3 4.42Å; Y420-V453 PolarHBondContact OH-O 3.17Å; Y420-R455 WeakPolarHBondContact CE1-O 3.04Å
421K90.1Very high90.5Very high103 Ų10355.5 Ų55.545%0.44829%0.286SS..EExtended strand (participates in β ladder)trans-149.7128.8-179.2-174.1162.1179.7152.60109D403 G423D403-K421 PolarHBondContact O-NZ 3.41Å; K421-G423 VanDerWaalsContact CE-O 3.26Å; K421-G423 WeakPolarHBondContact CE-O 3.35Å
422L84.3Confident90.9Very high59 Ų5956.1 Ų56.131%0.30929%0.291SS..SBendtrans-109-33.4174.3-170.667.6000112V56 L449 W451 P458V56-L422 HydrophobicContact CG2-CD1 4.27Å; L422-L449 HydrophobicContact CB-CD1 4.19Å; L422-L449 HydrophobicContact CD2-CD1 3.63Å; L422-L449 HydrophobicContact CD2-CD2 4.11Å; L422-W451 HydrophobicContact CB-CH2 4.13Å; L422-P458 HydrophobicContact CD1-CG 4.41Å; L422-P458 HydrophobicContact CD2-CG 4.35Å
423G82.3Confident91.6Very high31 Ų3152.8 Ų52.832%0.3228%0.275SS..SBendtrans-158.5-164.8-177.300000112.1K421K421-G423 VanDerWaalsContact CE-O 3.26Å; K421-G423 WeakPolarHBondContact CE-O 3.35Å
424L82.8Confident91.9Very high150 Ų15049.2 Ų49.279%0.78526%0.261SS*.SBendtrans-99.40.6-178.1-61.8176000113.7
425S89.3Confident92.1Very high32 Ų3247.7 Ų47.722%0.22425%0.253CS..SBendtrans-69.8134.5178.5570000111G404 N445G404-S425 WeakPolarHBondContact CA-O 3.49Å; S425-N445 PolarHBondContact OG-ND2 3.05Å
426P92.4Very high92Very high38 Ų3840.3 Ų40.325%0.24723%0.225CC..PPolyproline II helixtrans-53.3140174.5-28.935.2000113.5W428 G443 A444P426-W428 HydrophobicContact CB-CD2 4.34Å; P426-W428 HydrophobicContact CB-CE3 3.86Å; P426-W428 HydrophobicContact CB-CH2 3.31Å; P426-W428 HydrophobicContact CB-CZ2 3.79Å; P426-W428 HydrophobicContact CB-CZ3 3.32Å; P426-W428 HydrophobicContact CG-CH2 3.9Å; P426-W428 HydrophobicContact CG-CZ2 4.36Å; P426-W428 HydrophobicContact CG-CZ3 4.3Å; P426-G443 CarbonylContact O-C 3.53Å; P426-G443 WeakPolarHBondContact O-CA 2.95Å; P426-A444 HydrophobicContact CB-CB 4.29Å; P426-A444 HydrophobicContact CG-CB 4.36Å; P426-A444 PolarHBondContact O-N 3.08Å
427L94.7Very high91.9Very high14 Ų1437.6 Ų37.67%0.07322%0.215CC..EExtended strand (participates in β ladder)trans-99.5131.3168.8-63.1-179.6000109.5C400 S401 C406 T441 A442C400-L427 HydrophobicContact CB-CB 3.75Å; C400-L427 HydrophobicContact CB-CD1 4.04Å; S401-L427 PolarHBondContact O-N 3.25Å; S401-L427 VanDerWaalsContact O-N 3.14Å; C406-L427 HydrophobicContact CB-CD1 4.06Å; L427-T441 HydrophobicContact CD1-CG2 4.28Å; L427-A442 CarbonylContact C-O 3.51Å; L427-A442 WeakPolarHBondContact CA-O 3.19Å
428W93.8Very high91.9Very high25 Ų2534.3 Ų34.310%0.09520%0.197CC..EExtended strand (participates in β ladder)trans-98.9-34.1-176.3-57.9150.2000112.5Y386 P426 A442 A444 D468Y386-W428 CarbonylContact C-O 3.57Å; Y386-W428 VanDerWaalsContact C-O 3.29Å; Y386-W428 WeakPolarHBondContact CB-O 3.35Å; Y386-W428 AromaticContact CD2-CE3 3.92Å; Y386-W428 HydrophobicContact CD2-CE3 3.92Å; Y386-W428 AromaticContact CD2-CZ3 3.89Å; Y386-W428 HydrophobicContact CD2-CZ3 3.89Å; Y386-W428 HydrophobicContact CE2-CE3 4.46Å; Y386-W428 AromaticContact CE2-CZ3 3.98Å; Y386-W428 HydrophobicContact CE2-CZ3 3.98Å; Y386-W428 HydrophobicContact CG-CE3 4.21Å; Y386-W428 HydrophobicContact CG-CZ3 4.49Å; P426-W428 HydrophobicContact CB-CD2 4.34Å; P426-W428 HydrophobicContact CB-CE3 3.86Å; P426-W428 HydrophobicContact CB-CH2 3.31Å; P426-W428 HydrophobicContact CB-CZ2 3.79Å; P426-W428 HydrophobicContact CB-CZ3 3.32Å; P426-W428 HydrophobicContact CG-CH2 3.9Å; P426-W428 HydrophobicContact CG-CZ2 4.36Å; P426-W428 HydrophobicContact CG-CZ3 4.3Å; W428-A442 PolarHBondContact N-O 3.41Å; W428-A444 HydrophobicContact CZ2-CB 3.8Å; W428-D468 PolarHBondContact NE1-OD2 3.37Å
429D95.6Very high92.1Very high7 Ų731.6 Ų31.64%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-149.2156.3-175.6-162.738.6000112.3T441 A442 K471 V472D429-T441 WeakPolarHBondContact O-CA 3.2Å; D429-A442 HydrophobicContact CB-CB 4.36Å; D429-A442 PolarHBondContact N-O 2.9Å; D429-A442 PolarHBondContact O-N 3.41Å; D429-K471 HydrophobicContact CB-CD 3.99Å; D429-K471 VanDerWaalsContact CG-NZ 3.33Å; D429-K471 IonicContact OD1-NZ 2.89Å; D429-K471 PolarHBondContact OD1-NZ 3.23Å; D429-K471 WeakPolarHBondContact OD2-CA 3.39Å; D429-K471 WeakPolarHBondContact OD2-CD 3.45Å; D429-K471 IonicContact OD2-NZ 2.65Å; D429-V472 HydrophobicContact CB-CG1 4.22Å; D429-V472 PolarHBondContact OD2-N 2.91Å
430V96.8Very high92.2Very high4 Ų428 Ų282%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-142.3138.217561.90000108.9S389 F398 C400 F439 A440 T441S389-V430 WeakPolarHBondContact CB-O 3.49Å; F398-V430 HydrophobicContact CB-CG1 4.25Å; F398-V430 HydrophobicContact CB-CG2 3.72Å; F398-V430 HydrophobicContact CG-CG2 4.44Å; C400-V430 HydrophobicContact CB-CB 4.14Å; C400-V430 HydrophobicContact CB-CG1 4.23Å; V430-F439 HydrophobicContact CG2-CD2 4.19Å; V430-A440 CarbonylContact C-O 3.56Å; V430-A440 VanDerWaalsContact CA-O 3.28Å; V430-A440 WeakPolarHBondContact CA-O 3.27Å; V430-A440 WeakPolarHBondContact CG2-O 3.43Å; V430-T441 HydrophobicContact CB-CG2 4.45Å; V430-T441 HydrophobicContact CG2-CG2 4.08Å
431A96.9Very high92.3Very high11 Ų1127.9 Ų27.99%0.09116%0.16CC..EExtended strand (participates in β ladder)trans-134.1134.1175.400000110.6F439 A440 V472 F474A431-F439 CarbonylContact O-C 3.59Å; A431-F439 VanDerWaalsContact O-CA 3.23Å; A431-F439 WeakPolarHBondContact O-CA 3.43Å; A431-F439 WeakPolarHBondContact O-CB 3.44Å; A431-A440 PolarHBondContact N-O 2.98Å; A431-A440 PolarHBondContact O-N 2.96Å; A431-V472 HydrophobicContact CB-CG1 4.29Å; A431-V472 VanDerWaalsContact CB-O 3.24Å; A431-V472 WeakPolarHBondContact CB-O 3.39Å; A431-F474 HydrophobicContact CB-CD2 4.09Å; A431-F474 HydrophobicContact CB-CE2 4.49Å; A431-F474 VanDerWaalsContact O-CE2 3.29Å; A431-F474 WeakPolarHBondContact O-CE2 3.02Å
432S95.7Very high92.5Very high14 Ų1423 Ų2310%0.09814%0.139CC..EExtended strand (participates in β ladder)trans-82.5146169.6-163.20000110.6S389 F398S389-S432 PolarHBondContact OG-N 3.31Å; F398-S432 WeakPolarHBondContact CE2-OG 3.39Å
433A94.8Very high92.8Very high1 Ų120.1 Ų20.11%0.00812%0.124CC..  trans-71.8137.8171.400000110.4F435 G436 Y438 F474A433-F435 VanDerWaalsContact C-N 3.26Å; A433-F435 PolarHBondContact O-N 2.88Å; A433-F435 VanDerWaalsContact O-N 3.16Å; A433-G436 WeakPolarHBondContact O-CA 3.41Å; A433-G436 PolarHBondContact O-N 3.5Å; A433-Y438 VanDerWaalsContact CB-O 3.27Å; A433-Y438 WeakPolarHBondContact CB-O 3.41Å; A433-Y438 PolarHBondContact N-O 3.07Å; A433-F474 HydrophobicContact CB-CD1 3.85Å; A433-F474 HydrophobicContact CB-CD2 4.35Å; A433-F474 HydrophobicContact CB-CE1 3.86Å; A433-F474 HydrophobicContact CB-CE2 4.37Å; A433-F474 HydrophobicContact CB-CG 4.1Å; A433-F474 HydrophobicContact CB-CZ 4.13Å
434P91.5Very high93.1Very high35 Ų3520 Ų2023%0.22712%0.12CC..THydrogen-bonded Turntrans-52.7-35.4178.9-30.331.1000115.8S478P434-S478 VanDerWaalsContact CD-OG 3.22Å; P434-S478 WeakPolarHBondContact CD-OG 3.39Å
435F90.6Very high93.3Very high22 Ų2215.7 Ų15.710%0.09610%0.097CC..THydrogen-bonded Turntrans-91.45.6176.2-66-75.2000113.6F240 F275 W284 L289 M296 A433 S478F240-F435 HydrophobicContact CB-CZ 3.99Å; F240-F435 AromaticContact CD2-CE2 3.69Å; F240-F435 HydrophobicContact CD2-CE2 3.69Å; F240-F435 AromaticContact CD2-CZ 3.89Å; F240-F435 HydrophobicContact CD2-CZ 3.89Å; F240-F435 HydrophobicContact CE2-CE2 4.46Å; F240-F435 HydrophobicContact CG-CZ 4.41Å; F275-F435 HydrophobicContact CD1-CE1 4.01Å; F275-F435 HydrophobicContact CD1-CZ 4.24Å; F275-F435 HydrophobicContact CD2-CE1 4.12Å; F275-F435 AromaticContact CE1-CE1 3.86Å; F275-F435 HydrophobicContact CE1-CE1 3.86Å; F275-F435 HydrophobicContact CE1-CZ 4.19Å; F275-F435 AromaticContact CE2-CE1 3.97Å; F275-F435 HydrophobicContact CE2-CE1 3.97Å; F275-F435 HydrophobicContact CG-CE1 4.12Å; F275-F435 AromaticContact CZ-CE1 3.83Å; F275-F435 HydrophobicContact CZ-CE1 3.83Å; W284-F435 AromaticContact CH2-CD1 3.82Å; W284-F435 HydrophobicContact CH2-CD1 3.82Å; W284-F435 AromaticContact CH2-CE1 3.78Å; W284-F435 HydrophobicContact CH2-CE1 3.78Å; W284-F435 HydrophobicContact CH2-CG 4.48Å; W284-F435 HydrophobicContact CH2-CZ 4.41Å; W284-F435 HydrophobicContact CZ3-CD1 4.45Å; W284-F435 HydrophobicContact CZ3-CE1 4.05Å; W284-F435 HydrophobicContact CZ3-CZ 4.25Å; L289-F435 HydrophobicContact CD1-CD2 4.41Å; L289-F435 HydrophobicContact CD1-CG 4.5Å; L289-F435 HydrophobicContact CD2-CB 4.28Å; M296-F435 HydrophobicContact CE-CD1 3.37Å; M296-F435 HydrophobicContact CE-CE1 3.61Å; M296-F435 HydrophobicContact CE-CG 4.27Å; M296-F435 HydrophobicContact SD-CD1 4.08Å; A433-F435 VanDerWaalsContact C-N 3.26Å; A433-F435 PolarHBondContact O-N 2.88Å; A433-F435 VanDerWaalsContact O-N 3.16Å; F435-S478 VanDerWaalsContact CD2-OG 3.31Å; F435-S478 WeakPolarHBondContact CD2-OG 3.22Å; F435-S478 PolarHBondContact N-OG 3.37Å
436G90.2Very high93.2Very high2 Ų214.3 Ų14.32%0.0219%0.089CC..SBendtrans72.2-170-177.800000114.2A433 Y438A433-G436 WeakPolarHBondContact O-CA 3.41Å; A433-G436 PolarHBondContact O-N 3.5Å; G436-Y438 PolarHBondContact O-N 2.99Å
437G91.1Very high93.2Very high17 Ų1713 Ų1318%0.1758%0.08CC..SBendtrans76.1-31.8177.300000115.1N452 V453G437-N452 WeakPolarHBondContact O-CA 3.26Å; G437-V453 PolarHBondContact O-N 3.41Å
438Y95.1Very high93.2Very high19 Ų1912.4 Ų12.48%0.0758%0.077CC..EExtended strand (participates in β ladder)trans-120.1153.5174.7-56.8-85000111.9P288 A433 G436 V450 W451 N452P288-Y438 WeakPolarHBondContact CG-OH 3.31Å; P288-Y438 WeakPolarHBondContact O-CE2 3.5Å; P288-Y438 PolarHBondContact O-OH 2.81Å; A433-Y438 VanDerWaalsContact CB-O 3.27Å; A433-Y438 WeakPolarHBondContact CB-O 3.41Å; A433-Y438 PolarHBondContact N-O 3.07Å; G436-Y438 PolarHBondContact O-N 2.99Å; Y438-V450 HydrophobicContact CD1-CG1 4.41Å; Y438-W451 VanDerWaalsContact CA-O 3.23Å; Y438-W451 WeakPolarHBondContact CA-O 3.44Å; Y438-W451 WeakPolarHBondContact CD1-O 3.44Å; Y438-N452 HydrophobicContact CD1-CB 4.11Å; Y438-N452 HydrophobicContact CE1-CB 4.04Å
439F96.7Very high93.2Very high0 Ų011.7 Ų11.70%08%0.075CC..EExtended strand (participates in β ladder)trans-145.1160.9166.867.1-83.8000108.8F398 Y420 V430 A431 T441 W451 V453F398-F439 HydrophobicContact CD1-CB 4.19Å; F398-F439 HydrophobicContact CD1-CD1 4Å; F398-F439 AromaticContact CD1-CD2 3.96Å; F398-F439 HydrophobicContact CD1-CD2 3.96Å; F398-F439 HydrophobicContact CD1-CE1 4.33Å; F398-F439 HydrophobicContact CD1-CE2 4.3Å; F398-F439 AromaticContact CD1-CG 3.79Å; F398-F439 HydrophobicContact CD1-CG 3.79Å; F398-F439 HydrophobicContact CD1-CZ 4.47Å; F398-F439 HydrophobicContact CE1-CB 3.95Å; F398-F439 AromaticContact CE1-CD1 3.32Å; F398-F439 HydrophobicContact CE1-CD1 3.32Å; F398-F439 HydrophobicContact CE1-CD2 4.13Å; F398-F439 AromaticContact CE1-CE1 3.73Å; F398-F439 HydrophobicContact CE1-CE1 3.73Å; F398-F439 HydrophobicContact CE1-CE2 4.48Å; F398-F439 AromaticContact CE1-CG 3.54Å; F398-F439 HydrophobicContact CE1-CG 3.54Å; F398-F439 HydrophobicContact CE1-CZ 4.29Å; F398-F439 HydrophobicContact CE2-CB 4.48Å; F398-F439 HydrophobicContact CZ-CB 4.12Å; F398-F439 AromaticContact CZ-CD1 3.93Å; F398-F439 HydrophobicContact CZ-CD1 3.93Å; F398-F439 HydrophobicContact CZ-CG 4.16Å; Y420-F439 HydrophobicContact CD1-CE1 4.43Å; Y420-F439 AromaticContact CD1-CZ 3.81Å; Y420-F439 HydrophobicContact CD1-CZ 3.81Å; Y420-F439 HydrophobicContact CD2-CE1 4.39Å; Y420-F439 HydrophobicContact CD2-CE2 4.36Å; Y420-F439 AromaticContact CD2-CZ 3.61Å; Y420-F439 HydrophobicContact CD2-CZ 3.61Å; Y420-F439 HydrophobicContact CE1-CE1 4.08Å; Y420-F439 AromaticContact CE1-CZ 3.91Å; Y420-F439 HydrophobicContact CE1-CZ 3.91Å; Y420-F439 HydrophobicContact CE2-CE1 4.06Å; Y420-F439 AromaticContact CE2-CZ 3.73Å; Y420-F439 HydrophobicContact CE2-CZ 3.73Å; Y420-F439 HydrophobicContact CG-CE2 4.45Å; Y420-F439 AromaticContact CG-CZ 3.66Å; Y420-F439 HydrophobicContact CG-CZ 3.66Å; Y420-F439 AromaticContact CZ-CE1 3.89Å; Y420-F439 AromaticContact CZ-CZ 3.88Å; V430-F439 HydrophobicContact CG2-CD2 4.19Å; A431-F439 CarbonylContact O-C 3.59Å; A431-F439 VanDerWaalsContact O-CA 3.23Å; A431-F439 WeakPolarHBondContact O-CA 3.43Å; A431-F439 WeakPolarHBondContact O-CB 3.44Å; F439-T441 HydrophobicContact CD2-CG2 4.18Å; F439-T441 HydrophobicContact CE2-CG2 4.06Å; F439-W451 HydrophobicContact CD1-CB 3.75Å; F439-W451 HydrophobicContact CD2-CB 4.02Å; F439-W451 AromaticContact CD2-CD1 3.73Å; F439-W451 HydrophobicContact CD2-CG 4.1Å; F439-W451 HydrophobicContact CE1-CB 3.29Å; F439-W451 HydrophobicContact CE1-CG 4.08Å; F439-W451 HydrophobicContact CE2-CB 3.58Å; F439-W451 AromaticContact CE2-CD1 3.33Å; F439-W451 HydrophobicContact CE2-CD2 4.25Å; F439-W451 AromaticContact CE2-CG 3.45Å; F439-W451 HydrophobicContact CE2-CG 3.45Å; F439-W451 VanDerWaalsContact CE2-CG 3.45Å; F439-W451 HydrophobicContact CG-CB 4.1Å; F439-W451 HydrophobicContact CZ-CB 3.19Å; F439-W451 AromaticContact CZ-CD1 3.85Å; F439-W451 HydrophobicContact CZ-CD2 4.14Å; F439-W451 AromaticContact CZ-CG 3.44Å; F439-W451 HydrophobicContact CZ-CG 3.44Å; F439-W451 VanDerWaalsContact CZ-CG 3.44Å; F439-W451 PolarHBondContact N-O 2.83Å; F439-W451 VanDerWaalsContact N-O 3.1Å; F439-W451 PolarHBondContact O-N 3.44Å; F439-V453 HydrophobicContact CD1-CG2 3.95Å; F439-V453 HydrophobicContact CE1-CG2 4.32Å
440A97Very high93.3Very high0 Ų011.5 Ų11.50%07%0.073CC..EExtended strand (participates in β ladder)trans-128.2146.8-179.800000110.2V430 A431 L449 V450 V472 F474 V481V430-A440 CarbonylContact C-O 3.56Å; V430-A440 VanDerWaalsContact CA-O 3.28Å; V430-A440 WeakPolarHBondContact CA-O 3.27Å; V430-A440 WeakPolarHBondContact CG2-O 3.43Å; A431-A440 PolarHBondContact N-O 2.98Å; A431-A440 PolarHBondContact O-N 2.96Å; A440-L449 CarbonylContact C-O 3.55Å; A440-L449 WeakPolarHBondContact CA-O 3.47Å; A440-V450 HydrophobicContact CB-CG2 4.36Å; A440-V472 HydrophobicContact CB-CG1 4.42Å; A440-V472 HydrophobicContact CB-CG2 3.63Å; A440-F474 HydrophobicContact CB-CE2 3.52Å; A440-F474 HydrophobicContact CB-CZ 3.8Å; A440-V481 HydrophobicContact CB-CG1 4.45Å
441T96.6Very high93.2Very high1 Ų111.5 Ų11.51%0.0067%0.073CC..EExtended strand (participates in β ladder)trans-125.6140.7177.458.50000109.6C406 L427 D429 V430 F439 A448 L449 W451C406-T441 HydrophobicContact CB-CG2 3.96Å; L427-T441 HydrophobicContact CD1-CG2 4.28Å; D429-T441 WeakPolarHBondContact O-CA 3.2Å; V430-T441 HydrophobicContact CB-CG2 4.45Å; V430-T441 HydrophobicContact CG2-CG2 4.08Å; F439-T441 HydrophobicContact CD2-CG2 4.18Å; F439-T441 HydrophobicContact CE2-CG2 4.06Å; T441-A448 CarbonylContact O-C 3.54Å; T441-A448 VanDerWaalsContact O-CA 3.29Å; T441-A448 WeakPolarHBondContact O-CA 3.48Å; T441-L449 PolarHBondContact N-O 3.36Å; T441-L449 PolarHBondContact O-N 3.23Å; T441-W451 PolarHBondContact OG1-NE1 2.89Å
442A94.6Very high93Very high0 Ų011.9 Ų11.90%07%0.074CC..EExtended strand (participates in β ladder)trans-119.5150174.200000110.6L427 W428 D429 V469 V472L427-A442 CarbonylContact C-O 3.51Å; L427-A442 WeakPolarHBondContact CA-O 3.19Å; W428-A442 PolarHBondContact N-O 3.41Å; D429-A442 HydrophobicContact CB-CB 4.36Å; D429-A442 PolarHBondContact N-O 2.9Å; D429-A442 PolarHBondContact O-N 3.41Å; A442-V469 HydrophobicContact CB-CB 3.85Å; A442-V469 HydrophobicContact CB-CG1 3.53Å; A442-V469 WeakPolarHBondContact CB-O 3.16Å; A442-V472 HydrophobicContact CB-CB 3.9Å; A442-V472 HydrophobicContact CB-CG1 3.92Å
443G90.6Very high92.9Very high0 Ų012.4 Ų12.40%08%0.076CC..EExtended strand (participates in β ladder)trans-161.3-171.3-175.800000115.2P426 N445 V469P426-G443 CarbonylContact O-C 3.53Å; P426-G443 WeakPolarHBondContact O-CA 2.95Å; G443-N445 VanDerWaalsContact C-N 3.28Å; G443-N445 PolarHBondContact O-N 2.91Å; G443-V469 PolarHBondContact O-N 3.49Å
444A89.2Confident92.7Very high29 Ų2921 Ų2124%0.2412%0.116CC..THydrogen-bonded Turntrans-76.5-6.7-17000000115.3P426 W428 G446 D468P426-A444 HydrophobicContact CB-CB 4.29Å; P426-A444 HydrophobicContact CG-CB 4.36Å; P426-A444 PolarHBondContact O-N 3.08Å; W428-A444 HydrophobicContact CZ2-CB 3.8Å; A444-G446 VanDerWaalsContact C-N 3.28Å; A444-G446 PolarHBondContact O-N 2.98Å; A444-D468 WeakPolarHBondContact CA-OD2 3.49Å; A444-D468 WeakPolarHBondContact CB-OD2 3.41Å
445N86.1Confident92.6Very high58 Ų5825.8 Ų25.831%0.3113%0.13SC..THydrogen-bonded Turntrans-88.26.6-179.359.73000113.3S425 G443 L447S425-N445 PolarHBondContact OG-ND2 3.05Å; G443-N445 VanDerWaalsContact C-N 3.28Å; G443-N445 PolarHBondContact O-N 2.91Å; N445-L447 HydrophobicContact CB-CG 4.48Å; N445-L447 PolarHBondContact O-N 3.27Å; N445-L447 VanDerWaalsContact OD1-CB 3.32Å; N445-L447 WeakPolarHBondContact OD1-CB 3.25Å; N445-L447 PolarHBondContact OD1-N 3Å
446G87.1Confident92.4Very high4 Ų432.6 Ų32.64%0.04116%0.159CC..SBendtrans69.715.6-174.700000114.1A444 H465 C467A444-G446 VanDerWaalsContact C-N 3.28Å; A444-G446 PolarHBondContact O-N 2.98Å; G446-H465 WeakPolarHBondContact O-CB 3.37Å; G446-C467 WeakPolarHBondContact CA-O 3.35Å
447L92Very high92.4Very high11 Ų1136 Ų366%0.05818%0.182CC..EExtended strand (participates in β ladder)trans-110.7146.5177-51.8176000110.3L58 N445 V461 Q463L58-L447 HydrophobicContact CD1-CD1 3.82Å; L58-L447 HydrophobicContact CD2-CD1 3.56Å; L58-L447 HydrophobicContact CG-CD1 4.34Å; N445-L447 HydrophobicContact CB-CG 4.48Å; N445-L447 PolarHBondContact O-N 3.27Å; N445-L447 VanDerWaalsContact OD1-CB 3.32Å; N445-L447 WeakPolarHBondContact OD1-CB 3.25Å; N445-L447 PolarHBondContact OD1-N 3Å; L447-V461 HydrophobicContact CD1-CG1 4.34Å; L447-V461 HydrophobicContact CD2-CG1 4.35Å; L447-Q463 HydrophobicContact CD2-CB 3.96Å; L447-Q463 HydrophobicContact CD2-CG 3.82Å
448A94.7Very high92.5Very high1 Ų136.4 Ų36.41%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-110.3140.5155.500000109.1T441 L462 T483T441-A448 CarbonylContact O-C 3.54Å; T441-A448 VanDerWaalsContact O-CA 3.29Å; T441-A448 WeakPolarHBondContact O-CA 3.48Å; A448-L462 HydrophobicContact CB-CB 4.07Å; A448-L462 HydrophobicContact CB-CD1 4.06Å; A448-L462 HydrophobicContact CB-CG 4.49Å; A448-L462 PolarHBondContact N-O 3.47Å; A448-L462 WeakPolarHBondContact O-CA 3.47Å; A448-L462 VanDerWaalsContact O-CB 3.28Å; A448-L462 WeakPolarHBondContact O-CB 3.44Å; A448-L462 PolarHBondContact O-N 3.17Å; A448-T483 HydrophobicContact CB-CG2 3.58Å
449L95.2Very high92.4Very high10 Ų1037.1 Ų37.15%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-115.9135.8-179-59.3174.2000108.7L422 A440 T441 W451 P458 V461L422-L449 HydrophobicContact CB-CD1 4.19Å; L422-L449 HydrophobicContact CD2-CD1 3.63Å; L422-L449 HydrophobicContact CD2-CD2 4.11Å; A440-L449 CarbonylContact C-O 3.55Å; A440-L449 WeakPolarHBondContact CA-O 3.47Å; T441-L449 PolarHBondContact N-O 3.36Å; T441-L449 PolarHBondContact O-N 3.23Å; L449-W451 HydrophobicContact CB-CZ2 4.03Å; L449-W451 HydrophobicContact CD1-CH2 4.33Å; L449-W451 HydrophobicContact CD1-CZ2 3.55Å; L449-W451 HydrophobicContact CG-CZ2 4.44Å; L449-P458 HydrophobicContact CB-CB 4.32Å; L449-P458 HydrophobicContact CD2-CB 4.41Å; L449-V461 HydrophobicContact CD2-CB 4.18Å; L449-V461 HydrophobicContact CD2-CG1 3.95Å; L449-V461 HydrophobicContact CD2-CG2 3.84Å
450V96Very high92.3Very high2 Ų240.6 Ų40.61%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-107.9128.8172.8-175.70000108.4Y438 A440 P458 V459 R460 L462 F474 V481 L495Y438-V450 HydrophobicContact CD1-CG1 4.41Å; A440-V450 HydrophobicContact CB-CG2 4.36Å; V450-P458 CarbonylContact O-C 3.55Å; V450-P458 WeakPolarHBondContact O-CA 3.37Å; V450-V459 PolarHBondContact O-N 3.31Å; V450-R460 HydrophobicContact CB-CB 4.07Å; V450-R460 HydrophobicContact CG2-CB 4.3Å; V450-R460 PolarHBondContact N-O 3.09Å; V450-R460 PolarHBondContact O-N 3.23Å; V450-R460 VanDerWaalsContact O-N 3.16Å; V450-L462 HydrophobicContact CG2-CD1 3.78Å; V450-L462 HydrophobicContact CG2-CD2 4.46Å; V450-L462 HydrophobicContact CG2-CG 4.09Å; V450-F474 HydrophobicContact CG1-CZ 4.49Å; V450-V481 HydrophobicContact CG2-CG2 4.4Å; V450-L495 HydrophobicContact CB-CD2 4.25Å; V450-L495 HydrophobicContact CG1-CD2 3.83Å; V450-L495 HydrophobicContact CG2-CD2 3.63Å
451W95.3Very high92.1Very high5 Ų542.7 Ų42.72%0.01921%0.214CC..EExtended strand (participates in β ladder)trans-115.9151.1-175.3-5487.9000109.5Y420 L422 Y438 F439 T441 L449 K456 P458Y420-W451 HydrophobicContact CD1-CE3 4Å; Y420-W451 HydrophobicContact CD1-CZ3 4.42Å; L422-W451 HydrophobicContact CB-CH2 4.13Å; Y438-W451 VanDerWaalsContact CA-O 3.23Å; Y438-W451 WeakPolarHBondContact CA-O 3.44Å; Y438-W451 WeakPolarHBondContact CD1-O 3.44Å; F439-W451 HydrophobicContact CD1-CB 3.75Å; F439-W451 HydrophobicContact CD2-CB 4.02Å; F439-W451 AromaticContact CD2-CD1 3.73Å; F439-W451 HydrophobicContact CD2-CG 4.1Å; F439-W451 HydrophobicContact CE1-CB 3.29Å; F439-W451 HydrophobicContact CE1-CG 4.08Å; F439-W451 HydrophobicContact CE2-CB 3.58Å; F439-W451 AromaticContact CE2-CD1 3.33Å; F439-W451 HydrophobicContact CE2-CD2 4.25Å; F439-W451 AromaticContact CE2-CG 3.45Å; F439-W451 HydrophobicContact CE2-CG 3.45Å; F439-W451 VanDerWaalsContact CE2-CG 3.45Å; F439-W451 HydrophobicContact CG-CB 4.1Å; F439-W451 HydrophobicContact CZ-CB 3.19Å; F439-W451 AromaticContact CZ-CD1 3.85Å; F439-W451 HydrophobicContact CZ-CD2 4.14Å; F439-W451 AromaticContact CZ-CG 3.44Å; F439-W451 HydrophobicContact CZ-CG 3.44Å; F439-W451 VanDerWaalsContact CZ-CG 3.44Å; F439-W451 PolarHBondContact N-O 2.83Å; F439-W451 VanDerWaalsContact N-O 3.1Å; F439-W451 PolarHBondContact O-N 3.44Å; T441-W451 PolarHBondContact OG1-NE1 2.89Å; L449-W451 HydrophobicContact CB-CZ2 4.03Å; L449-W451 HydrophobicContact CD1-CH2 4.33Å; L449-W451 HydrophobicContact CD1-CZ2 3.55Å; L449-W451 HydrophobicContact CG-CZ2 4.44Å; W451-K456 WeakPolarHBondContact CZ3-O 3.45Å; W451-P458 HydrophobicContact CD2-CB 4.17Å; W451-P458 HydrophobicContact CE3-CB 4.03Å; W451-P458 HydrophobicContact CH2-CB 4.28Å; W451-P458 HydrophobicContact CH2-CG 4.36Å; W451-P458 HydrophobicContact CZ2-CB 4.41Å; W451-P458 HydrophobicContact CZ3-CB 4.08Å; W451-P458 VanDerWaalsContact CZ3-CD 3.5Å; W451-P458 HydrophobicContact CZ3-CG 4.29Å
452N94Very high91.9Very high19 Ų1942.7 Ų42.710%0.10221%0.214CC..EExtended strand (participates in β ladder)trans-103.3136.2162176.7-57.9000107G437 Y438 E454 R455 V459G437-N452 WeakPolarHBondContact O-CA 3.26Å; Y438-N452 HydrophobicContact CD1-CB 4.11Å; Y438-N452 HydrophobicContact CE1-CB 4.04Å; N452-E454 PolarHBondContact O-N 3Å; N452-E454 VanDerWaalsContact O-N 3.11Å; N452-E454 WeakPolarHBondContact OD1-CB 3.25Å; N452-E454 PolarHBondContact OD1-N 2.9Å; N452-R455 HydrophobicContact CB-CB 4.44Å; N452-R455 HydrophobicContact CB-CG 4.42Å; N452-R455 PolarHBondContact O-N 3.39Å; N452-R455 VanDerWaalsContact O-O 3.06Å; N452-V459 HydrophobicContact CB-CG2 3.61Å
453V92.7Very high91.8Very high24 Ų2449.3 Ų49.315%0.14525%0.245CC..THydrogen-bonded Turntrans-55.1-33.2-175.7178.10000112.2L396 F398 L408 Y420 G437 F439L396-V453 HydrophobicContact CD1-CG1 4.33Å; F398-V453 HydrophobicContact CE1-CG2 4.24Å; F398-V453 HydrophobicContact CZ-CG2 3.87Å; L408-V453 HydrophobicContact CD2-CG1 3.79Å; Y420-V453 PolarHBondContact OH-O 3.17Å; G437-V453 PolarHBondContact O-N 3.41Å; F439-V453 HydrophobicContact CD1-CG2 3.95Å; F439-V453 HydrophobicContact CE1-CG2 4.32Å
454E90.3Very high91.6Very high181 Ų18150.1 Ų50.185%0.84625%0.253SS*.THydrogen-bonded Turntrans-80.4-15.3-178.6-57.5178.6169.200113.6N452N452-E454 PolarHBondContact O-N 3Å; N452-E454 VanDerWaalsContact O-N 3.11Å; N452-E454 WeakPolarHBondContact OD1-CB 3.25Å; N452-E454 PolarHBondContact OD1-N 2.9Å
455R90.1Very high91.7Very high137 Ų13749.4 Ų49.452%0.51725%0.245SC..  trans-109.9135.2-174.9-64.9-172-179.91283.3111.7Y420 N452 S457Y420-R455 WeakPolarHBondContact CE1-O 3.04Å; N452-R455 HydrophobicContact CB-CB 4.44Å; N452-R455 HydrophobicContact CB-CG 4.42Å; N452-R455 PolarHBondContact O-N 3.39Å; N452-R455 VanDerWaalsContact O-O 3.06Å; R455-S457 VanDerWaalsContact C-N 3.34Å
456K86.4Confident91.9Very high164 Ų16449.3 Ų49.371%0.71324%0.241SC*.SBendtrans-77.9-16.8175.2-69.1-168.5175.5-174.70114.3W451W451-K456 WeakPolarHBondContact CZ3-O 3.45Å
457S90.2Very high92Very high73 Ų7350.6 Ų50.651%0.5125%0.249SC..SBendtrans-102150.5176.155.50000111.1R455R455-S457 VanDerWaalsContact C-N 3.34Å
458P92.7Very high92Very high27 Ų2752.1 Ų52.118%0.17526%0.257CS..EExtended strand (participates in β ladder)trans-66.4139.9177.528.7-34.3000110.2L422 L449 V450 W451L422-P458 HydrophobicContact CD1-CG 4.41Å; L422-P458 HydrophobicContact CD2-CG 4.35Å; L449-P458 HydrophobicContact CB-CB 4.32Å; L449-P458 HydrophobicContact CD2-CB 4.41Å; V450-P458 CarbonylContact O-C 3.55Å; V450-P458 WeakPolarHBondContact O-CA 3.37Å; W451-P458 HydrophobicContact CD2-CB 4.17Å; W451-P458 HydrophobicContact CE3-CB 4.03Å; W451-P458 HydrophobicContact CH2-CB 4.28Å; W451-P458 HydrophobicContact CH2-CG 4.36Å; W451-P458 HydrophobicContact CZ2-CB 4.41Å; W451-P458 HydrophobicContact CZ3-CB 4.08Å; W451-P458 VanDerWaalsContact CZ3-CD 3.5Å; W451-P458 HydrophobicContact CZ3-CG 4.29Å
459V93.4Very high92.1Very high34 Ų3452.1 Ų52.121%0.20626%0.257CS..EExtended strand (participates in β ladder)trans-79.1-34.5175.6-179.90000110.8V450 N452V450-V459 PolarHBondContact O-N 3.31Å; N452-V459 HydrophobicContact CB-CG2 3.61Å
460R93.9Very high92Very high72 Ų7252.7 Ų52.727%0.27226%0.26SS..EExtended strand (participates in β ladder)trans-137.5145.8175.1-60.5-68.5178.6-103.67.2111V450 L462 L495 R496V450-R460 HydrophobicContact CB-CB 4.07Å; V450-R460 HydrophobicContact CG2-CB 4.3Å; V450-R460 PolarHBondContact N-O 3.09Å; V450-R460 PolarHBondContact O-N 3.23Å; V450-R460 VanDerWaalsContact O-N 3.16Å; R460-L462 HydrophobicContact CB-CD2 4.32Å; R460-L495 PolarHBondContact NE-O 3.17Å; R460-R496 PolarHBondContact NE-O 3.05Å; R460-R496 PolarHBondContact NH2-O 3.36Å
461V92.7Very high92Very high44 Ų4455.1 Ų55.127%0.26727%0.27SS..EExtended strand (participates in β ladder)trans-110.7114.5167.9-177.70000106.8L29 L447 L449 Q463L29-V461 HydrophobicContact CD1-CG2 3.92Å; L447-V461 HydrophobicContact CD1-CG1 4.34Å; L447-V461 HydrophobicContact CD2-CG1 4.35Å; L449-V461 HydrophobicContact CD2-CB 4.18Å; L449-V461 HydrophobicContact CD2-CG1 3.95Å; L449-V461 HydrophobicContact CD2-CG2 3.84Å; V461-Q463 PolarHBondContact O-N 2.69Å
462L93.7Very high92.1Very high2 Ų254.9 Ų54.91%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-91.589.6178.9-53.3-179.6000107.6A448 V450 R460 V481 W493A448-L462 HydrophobicContact CB-CB 4.07Å; A448-L462 HydrophobicContact CB-CD1 4.06Å; A448-L462 HydrophobicContact CB-CG 4.49Å; A448-L462 PolarHBondContact N-O 3.47Å; A448-L462 WeakPolarHBondContact O-CA 3.47Å; A448-L462 VanDerWaalsContact O-CB 3.28Å; A448-L462 WeakPolarHBondContact O-CB 3.44Å; A448-L462 PolarHBondContact O-N 3.17Å; V450-L462 HydrophobicContact CG2-CD1 3.78Å; V450-L462 HydrophobicContact CG2-CD2 4.46Å; V450-L462 HydrophobicContact CG2-CG 4.09Å; R460-L462 HydrophobicContact CB-CD2 4.32Å; L462-V481 HydrophobicContact CD1-CB 4.15Å; L462-V481 HydrophobicContact CD1-CG1 3.93Å; L462-W493 HydrophobicContact CB-CD2 3.87Å; L462-W493 HydrophobicContact CB-CE3 4.1Å; L462-W493 HydrophobicContact CB-CG 4.2Å; L462-W493 HydrophobicContact CB-CZ2 4.42Å; L462-W493 HydrophobicContact CB-CZ3 4.48Å; L462-W493 HydrophobicContact CD1-CB 3.93Å; L462-W493 HydrophobicContact CD1-CD2 4.33Å; L462-W493 HydrophobicContact CD1-CG 3.75Å; L462-W493 HydrophobicContact CD2-CB 3.8Å; L462-W493 HydrophobicContact CD2-CD2 4.12Å; L462-W493 HydrophobicContact CD2-CE3 4.13Å; L462-W493 HydrophobicContact CD2-CG 3.98Å; L462-W493 HydrophobicContact CG-CB 4.39Å; L462-W493 HydrophobicContact CG-CD2 4.32Å; L462-W493 HydrophobicContact CG-CG 4.19Å
463Q90.8Very high92.2Very high139 Ų13955.5 Ų55.565%0.6527%0.273SS*.EExtended strand (participates in β ladder)trans-100.4130.7-177.1-174.9177.513.400110.7L447 V461 W493L447-Q463 HydrophobicContact CD2-CB 3.96Å; L447-Q463 HydrophobicContact CD2-CG 3.82Å; V461-Q463 PolarHBondContact O-N 2.69Å; Q463-W493 VanDerWaalsContact O-CH2 3.23Å; Q463-W493 WeakPolarHBondContact O-CH2 3.44Å; Q463-W493 WeakPolarHBondContact O-CZ3 3.45Å
464G87.2Confident92.4Very high16 Ų1655.1 Ų55.117%0.16527%0.269CS..  trans162.9-20.8166.800000114.4Y466 R491G464-Y466 WeakPolarHBondContact O-CE2 3.47Å; G464-R491 VanDerWaalsContact CA-NH1 3.27Å; G464-R491 PolarHBondContact O-NH1 3.46Å; G464-R491 PolarHBondContact O-NH2 2.89Å
465H91.4Very high92.7Very high15 Ų1546.5 Ų46.57%0.06923%0.229CC..  trans-64.4150.9169.3-78.5-65000110.8G446 V469 T483 S485 D487 T489G446-H465 WeakPolarHBondContact O-CB 3.37Å; H465-V469 HydrophobicContact CB-CG2 3.94Å; H465-T483 PolarHBondContact CD2-OG1 3.26Å; H465-T483 PolarHBondContact NE2-OG1 3.13Å; H465-S485 VanDerWaalsContact CE1-CB 3.5Å; H465-S485 WeakPolarHBondContact CE1-CB 3.4Å; H465-S485 WeakPolarHBondContact ND1-CB 3.4Å; H465-D487 WeakPolarHBondContact CA-OD2 3.3Å; H465-D487 IonicContact CE1-OD1 2.66Å; H465-D487 IonicContact CE1-OD2 3.53Å; H465-D487 IonicContact CG-OD2 3.82Å; H465-D487 IonicContact ND1-OD1 2.83Å; H465-D487 PolarHBondContact ND1-OD1 2.93Å; H465-D487 IonicContact ND1-OD2 2.9Å; H465-D487 PolarHBondContact ND1-OD2 3.39Å; H465-T489 PolarHBondContact CE1-O 3.25Å; H465-T489 PolarHBondContact CE1-OG1 3.01Å; H465-T489 VanDerWaalsContact CE1-OG1 3.25Å; H465-T489 PolarHBondContact ND1-OG1 3.33Å
466Y89.5Confident92.9Very high56 Ų5641.9 Ų41.922%0.2222%0.216CC..SBendtrans-108.9-18.9-171.7-64.5-66000113.9I164 N168 T223 G464 D487 R491I164-Y466 HydrophobicContact CG1-CD1 4.26Å; I164-Y466 HydrophobicContact CG1-CG 4.19Å; I164-Y466 HydrophobicContact CG2-CD1 3.95Å; I164-Y466 HydrophobicContact CG2-CD2 4.03Å; I164-Y466 HydrophobicContact CG2-CG 3.65Å; N168-Y466 WeakPolarHBondContact ND2-CE1 3.36Å; N168-Y466 VanDerWaalsContact ND2-CZ 3.25Å; N168-Y466 PolarHBondContact ND2-OH 3.46Å; N168-Y466 PolarHBondContact OD1-OH 3.28Å; T223-Y466 HydrophobicContact CG2-CD2 3.86Å; T223-Y466 HydrophobicContact CG2-CE2 3.37Å; G464-Y466 WeakPolarHBondContact O-CE2 3.47Å; Y466-D487 PolarHBondContact N-OD2 3.46Å; Y466-D487 VanDerWaalsContact N-OD2 3.15Å; Y466-R491 VanDerWaalsContact CE2-NH2 3.32Å
467C90.5Very high93.2Very high31 Ų3134.1 Ų34.121%0.20918%0.182CC..SBendtrans-124-178.9173.3-570000108.9G446 S485 D486 D487G446-C467 WeakPolarHBondContact CA-O 3.35Å; C467-S485 PolarHBondContact O-OG 3.26Å; C467-D486 HydrophobicContact CB-CB 3.83Å; C467-D487 HydrophobicContact CB-CB 4.14Å
468D91.8Very high93.4Very high43 Ų4330.6 Ų30.623%0.2316%0.158CC..  trans-47.2138.6176.7-70.932.6000112.4W428 A444 S485 D486W428-D468 PolarHBondContact NE1-OD2 3.37Å; A444-D468 WeakPolarHBondContact CA-OD2 3.49Å; A444-D468 WeakPolarHBondContact CB-OD2 3.41Å; D468-S485 WeakPolarHBondContact O-CA 3.1Å; D468-S485 WeakPolarHBondContact O-CB 3.14Å; D468-S485 PolarHBondContact O-OG 2.99Å; D468-D486 PolarHBondContact O-N 3.5Å; D468-D486 VanDerWaalsContact O-N 3.16Å
469V95.3Very high93.5Very high0 Ų029.3 Ų29.30%015%0.15CC..EExtended strand (participates in β ladder)trans-94.7107.4171.8-173.20000107.4A442 G443 H465 T483 A484A442-V469 HydrophobicContact CB-CB 3.85Å; A442-V469 HydrophobicContact CB-CG1 3.53Å; A442-V469 WeakPolarHBondContact CB-O 3.16Å; G443-V469 PolarHBondContact O-N 3.49Å; H465-V469 HydrophobicContact CB-CG2 3.94Å; V469-T483 HydrophobicContact CG1-CG2 4.14Å; V469-A484 CarbonylContact C-O 3.48Å; V469-A484 WeakPolarHBondContact CA-O 3.49Å; V469-A484 WeakPolarHBondContact CG1-O 3.5Å
470N94.2Very high93.6Very high22 Ų2227.8 Ų27.812%0.11814%0.14CC..EExtended strand (participates in β ladder)trans-77.8-38-173.3-67.7-34.3000113A484 D486 I511N470-A484 PolarHBondContact N-O 3.21Å; N470-D486 VanDerWaalsContact ND2-CG 3.31Å; N470-D486 PolarHBondContact ND2-OD1 2.83Å; N470-I511 WeakPolarHBondContact CB-O 3.47Å; N470-I511 PolarHBondContact ND2-O 2.8Å
471K95.5Very high93.8Very high53 Ų5324.4 Ų24.423%0.2313%0.127CC..EExtended strand (participates in β ladder)trans-139.7146.2-175.5-80.2-61.3-171.8177.50112.3D429 T483 A484 G512 I514D429-K471 HydrophobicContact CB-CD 3.99Å; D429-K471 VanDerWaalsContact CG-NZ 3.33Å; D429-K471 IonicContact OD1-NZ 2.89Å; D429-K471 PolarHBondContact OD1-NZ 3.23Å; D429-K471 WeakPolarHBondContact OD2-CA 3.39Å; D429-K471 WeakPolarHBondContact OD2-CD 3.45Å; D429-K471 IonicContact OD2-NZ 2.65Å; K471-T483 WeakPolarHBondContact O-CA 3.23Å; K471-A484 HydrophobicContact CB-CB 4.29Å; K471-A484 PolarHBondContact N-O 2.95Å; K471-A484 PolarHBondContact O-N 3.25Å; K471-G512 WeakPolarHBondContact CG-O 3.48Å; K471-I514 HydrophobicContact CB-CD1 4.42Å; K471-I514 HydrophobicContact CB-CG1 3.91Å
472V97Very high94Very high1 Ų122.3 Ų22.31%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-135.5132.5174.463.80000109.7D429 A431 A440 A442 V481 A482 T483D429-V472 HydrophobicContact CB-CG1 4.22Å; D429-V472 PolarHBondContact OD2-N 2.91Å; A431-V472 HydrophobicContact CB-CG1 4.29Å; A431-V472 VanDerWaalsContact CB-O 3.24Å; A431-V472 WeakPolarHBondContact CB-O 3.39Å; A440-V472 HydrophobicContact CB-CG1 4.42Å; A440-V472 HydrophobicContact CB-CG2 3.63Å; A442-V472 HydrophobicContact CB-CB 3.9Å; A442-V472 HydrophobicContact CB-CG1 3.92Å; V472-V481 HydrophobicContact CG2-CG1 3.38Å; V472-A482 WeakPolarHBondContact CA-O 3.37Å; V472-T483 HydrophobicContact CG2-CG2 4.15Å
473I97.1Very high94.2Very high32 Ų3222.2 Ų22.216%0.16411%0.114CC..EExtended strand (participates in β ladder)trans-138147.6177.660.9175.3000110.1V481 A482 I514 F516 L523I473-V481 CarbonylContact O-C 3.57Å; I473-V481 WeakPolarHBondContact O-CA 3.24Å; I473-A482 HydrophobicContact CD1-CB 4.35Å; I473-A482 HydrophobicContact CG1-CB 3.87Å; I473-A482 PolarHBondContact N-O 3.48Å; I473-A482 PolarHBondContact O-N 3.33Å; I473-I514 HydrophobicContact CD1-CB 4.1Å; I473-I514 HydrophobicContact CD1-CD1 3.96Å; I473-I514 HydrophobicContact CD1-CG1 3.9Å; I473-I514 HydrophobicContact CG1-CD1 3.73Å; I473-I514 HydrophobicContact CG1-CG1 4.08Å; I473-I514 HydrophobicContact CG2-CG1 4.35Å; I473-F516 HydrophobicContact CD1-CD2 3.42Å; I473-F516 VanDerWaalsContact CD1-CD2 3.42Å; I473-F516 HydrophobicContact CD1-CE2 3.65Å; I473-F516 HydrophobicContact CD1-CG 4.18Å; I473-F516 HydrophobicContact CG1-CD2 3.86Å; I473-F516 HydrophobicContact CG1-CE2 3.65Å; I473-L523 HydrophobicContact CD1-CD1 3.98Å
474F96.9Very high94.5Very high15 Ų1515.6 Ų15.67%0.0668%0.083CC..EExtended strand (participates in β ladder)trans-85142.1169.4-80.4-95.9000110.1A431 A433 A440 V450 V481 L495 F516A431-F474 HydrophobicContact CB-CD2 4.09Å; A431-F474 HydrophobicContact CB-CE2 4.49Å; A431-F474 VanDerWaalsContact O-CE2 3.29Å; A431-F474 WeakPolarHBondContact O-CE2 3.02Å; A433-F474 HydrophobicContact CB-CD1 3.85Å; A433-F474 HydrophobicContact CB-CD2 4.35Å; A433-F474 HydrophobicContact CB-CE1 3.86Å; A433-F474 HydrophobicContact CB-CE2 4.37Å; A433-F474 HydrophobicContact CB-CG 4.1Å; A433-F474 HydrophobicContact CB-CZ 4.13Å; A440-F474 HydrophobicContact CB-CE2 3.52Å; A440-F474 HydrophobicContact CB-CZ 3.8Å; V450-F474 HydrophobicContact CG1-CZ 4.49Å; F474-V481 HydrophobicContact CD1-CG2 3.68Å; F474-V481 HydrophobicContact CD2-CG2 4.47Å; F474-V481 HydrophobicContact CE1-CG2 3.48Å; F474-V481 VanDerWaalsContact CE1-CG2 3.48Å; F474-V481 HydrophobicContact CE2-CG2 4.28Å; F474-V481 HydrophobicContact CG-CG2 4.19Å; F474-V481 HydrophobicContact CZ-CG2 3.8Å; F474-L495 HydrophobicContact CD1-CD1 4.12Å; F474-L495 HydrophobicContact CE1-CD1 3.68Å; F474-L495 HydrophobicContact CE1-CD2 4.42Å; F474-F516 WeakPolarHBondContact O-CD2 3.35Å
475H96.3Very high94.8Very high1 Ų114.8 Ų14.81%0.0058%0.075CC..  trans-65147.1164.1-178.8-91.1000109.5Y237 N477 S478 Y480 F516 G520Y237-H475 PolarHBondContact O-CE1 3.46Å; Y237-H475 PolarHBondContact O-NE2 3.35Å; H475-N477 VanDerWaalsContact CE1-CG 3.43Å; H475-N477 PolarHBondContact CE1-ND2 2.92Å; H475-N477 VanDerWaalsContact CE1-ND2 3.29Å; H475-N477 PolarHBondContact ND1-N 2.83Å; H475-N477 PolarHBondContact ND1-ND2 2.95Å; H475-N477 PolarHBondContact ND1-OD1 2.95Å; H475-N477 PolarHBondContact O-N 3Å; H475-S478 WeakPolarHBondContact O-CA 3.34Å; H475-S478 PolarHBondContact O-N 3.23Å; H475-Y480 WeakPolarHBondContact CB-O 3.32Å; H475-Y480 PolarHBondContact N-O 2.88Å; H475-F516 VanDerWaalsContact CA-CE2 3.43Å; H475-F516 HydrophobicContact CB-CD2 4.38Å; H475-F516 HydrophobicContact CB-CE1 4.48Å; H475-F516 HydrophobicContact CB-CE2 3.85Å; H475-F516 HydrophobicContact CB-CZ 3.9Å; H475-F516 AromaticContact CD2-CD1 3.89Å; H475-F516 AromaticContact CD2-CE1 3.8Å; H475-G520 WeakPolarHBondContact NE2-CA 3.29Å; H475-G520 PolarHBondContact NE2-O 3.5Å
476P93.7Very high94.9Very high40 Ų4015.6 Ų15.626%0.268%0.08SC..THydrogen-bonded Turntrans-58.3-26.6-173.7-25.633.8000114.6L239 S478L239-P476 HydrophobicContact CD2-CB 3.76Å; L239-P476 HydrophobicContact CD2-CG 4.32Å; P476-S478 PolarHBondContact O-N 3.13Å
477N93.3Very high94.9Very high0 Ų013.1 Ų13.10%07%0.071CC..THydrogen-bonded Turntrans-78.63.9172.974.611.4000115.2S236 G238 L239 F240 P282 H475 N479S236-N477 PolarHBondContact O-ND2 2.64Å; S236-N477 VanDerWaalsContact O-ND2 3.09Å; G238-N477 WeakPolarHBondContact O-CB 3.34Å; G238-N477 PolarHBondContact O-ND2 3.32Å; L239-N477 HydrophobicContact CD2-CB 4.4Å; F240-N477 HydrophobicContact CD2-CB 4.19Å; F240-N477 HydrophobicContact CE2-CB 4.11Å; P282-N477 WeakPolarHBondContact CD-ND2 3.17Å; P282-N477 HydrophobicContact CG-CB 4.48Å; H475-N477 VanDerWaalsContact CE1-CG 3.43Å; H475-N477 PolarHBondContact CE1-ND2 2.92Å; H475-N477 VanDerWaalsContact CE1-ND2 3.29Å; H475-N477 PolarHBondContact ND1-N 2.83Å; H475-N477 PolarHBondContact ND1-ND2 2.95Å; H475-N477 PolarHBondContact ND1-OD1 2.95Å; H475-N477 PolarHBondContact O-N 3Å; N477-N479 PolarHBondContact O-N 2.99Å; N477-N479 PolarHBondContact O-ND2 3.29Å; N477-N479 WeakPolarHBondContact OD1-CB 3.44Å; N477-N479 PolarHBondContact OD1-N 3.14Å
478S94.2Very high95.1Very high0 Ų011.8 Ų11.80%06%0.061CC..SBendtrans5512.1-178-58.30000116.4I287 P434 F435 H475 P476 L495I287-S478 WeakPolarHBondContact CD1-O 3.15Å; P434-S478 VanDerWaalsContact CD-OG 3.22Å; P434-S478 WeakPolarHBondContact CD-OG 3.39Å; F435-S478 VanDerWaalsContact CD2-OG 3.31Å; F435-S478 WeakPolarHBondContact CD2-OG 3.22Å; F435-S478 PolarHBondContact N-OG 3.37Å; H475-S478 WeakPolarHBondContact O-CA 3.34Å; H475-S478 PolarHBondContact O-N 3.23Å; P476-S478 PolarHBondContact O-N 3.13Å; S478-L495 WeakPolarHBondContact O-CD1 3.45Å
479N95.1Very high95.2Very high0 Ų09.8 Ų9.80%05%0.05CC..SBendtrans-94.8-16.9-179.1-88.3-95.8000113.8P282 R286 N477 L495P282-N479 HydrophobicContact CG-CB 4.08Å; P282-N479 WeakPolarHBondContact CG-ND2 3.39Å; R286-N479 WeakPolarHBondContact CD-OD1 3.02Å; R286-N479 PolarHBondContact NH1-OD1 2.78Å; R286-N479 VanDerWaalsContact NH1-OD1 3.11Å; N477-N479 PolarHBondContact O-N 2.99Å; N477-N479 PolarHBondContact O-ND2 3.29Å; N477-N479 WeakPolarHBondContact OD1-CB 3.44Å; N477-N479 PolarHBondContact OD1-N 3.14Å; N479-L495 WeakPolarHBondContact O-CB 3.4Å; N479-L495 WeakPolarHBondContact O-CG 3.35Å; N479-L495 PolarHBondContact O-N 3.23Å; N479-L495 VanDerWaalsContact O-N 3.07Å
480Y96.4Very high95.3Very high2 Ų29.8 Ų9.81%0.0085%0.05CC..EExtended strand (participates in β ladder)trans-128.8152.4-179-56.9-88.9000110.6V235 S236 R286 H475 L492 W493 D494 V501V235-Y480 HydrophobicContact CG1-CD1 4.48Å; V235-Y480 HydrophobicContact CG1-CE1 3.99Å; V235-Y480 HydrophobicContact CG1-CE2 4.34Å; S236-Y480 PolarHBondContact N-OH 2.83Å; S236-Y480 VanDerWaalsContact N-OH 3.12Å; S236-Y480 WeakPolarHBondContact O-CE2 3.38Å; R286-Y480 PolarHBondContact NH2-OH 2.61Å; H475-Y480 WeakPolarHBondContact CB-O 3.32Å; H475-Y480 PolarHBondContact N-O 2.88Å; Y480-L492 HydrophobicContact CD1-CD2 4.31Å; Y480-L492 HydrophobicContact CD1-CG 4.29Å; Y480-L492 HydrophobicContact CG-CD2 4.47Å; Y480-L492 HydrophobicContact CG-CG 4.46Å; Y480-W493 WeakPolarHBondContact CA-O 3.45Å; Y480-W493 WeakPolarHBondContact CB-O 3.49Å; Y480-D494 HydrophobicContact CD1-CB 4.15Å; Y480-D494 HydrophobicContact CE1-CB 3.95Å; Y480-V501 HydrophobicContact CD1-CG2 3.97Å; Y480-V501 HydrophobicContact CE1-CG2 4.02Å
481V97.4Very high95.3Very high0 Ų09.6 Ų9.60%05%0.048CC..EExtended strand (participates in β ladder)trans-121.5131.9172.5170.70000107.8A440 V450 L462 V472 I473 F474 T483 L492 W493 L495A440-V481 HydrophobicContact CB-CG1 4.45Å; V450-V481 HydrophobicContact CG2-CG2 4.4Å; L462-V481 HydrophobicContact CD1-CB 4.15Å; L462-V481 HydrophobicContact CD1-CG1 3.93Å; V472-V481 HydrophobicContact CG2-CG1 3.38Å; I473-V481 CarbonylContact O-C 3.57Å; I473-V481 WeakPolarHBondContact O-CA 3.24Å; F474-V481 HydrophobicContact CD1-CG2 3.68Å; F474-V481 HydrophobicContact CD2-CG2 4.47Å; F474-V481 HydrophobicContact CE1-CG2 3.48Å; F474-V481 VanDerWaalsContact CE1-CG2 3.48Å; F474-V481 HydrophobicContact CE2-CG2 4.28Å; F474-V481 HydrophobicContact CG-CG2 4.19Å; F474-V481 HydrophobicContact CZ-CG2 3.8Å; V481-T483 HydrophobicContact CG1-CG2 4.24Å; V481-L492 WeakPolarHBondContact O-CA 3.31Å; V481-W493 PolarHBondContact N-O 3.48Å; V481-W493 VanDerWaalsContact O-CD1 3.29Å; V481-W493 PolarHBondContact O-N 3.06Å; V481-L495 HydrophobicContact CB-CD2 4.4Å; V481-L495 HydrophobicContact CG2-CD1 4.26Å; V481-L495 HydrophobicContact CG2-CD2 3.51Å; V481-L495 HydrophobicContact CG2-CG 4.07Å
482A97.7Very high95.4Very high0 Ų07.1 Ų7.10%04%0.037CC..EExtended strand (participates in β ladder)trans-100.5142167.800000110.4V472 I473 R491 L492 I514 F516 L523V472-A482 WeakPolarHBondContact CA-O 3.37Å; I473-A482 HydrophobicContact CD1-CB 4.35Å; I473-A482 HydrophobicContact CG1-CB 3.87Å; I473-A482 PolarHBondContact N-O 3.48Å; I473-A482 PolarHBondContact O-N 3.33Å; A482-R491 CarbonylContact C-O 3.51Å; A482-R491 WeakPolarHBondContact CA-O 3.41Å; A482-L492 HydrophobicContact CB-CD1 4.08Å; A482-I514 HydrophobicContact CB-CD1 4.02Å; A482-F516 HydrophobicContact CB-CE1 4.39Å; A482-F516 HydrophobicContact CB-CE2 3.79Å; A482-F516 HydrophobicContact CB-CZ 3.47Å; A482-F516 VanDerWaalsContact CB-CZ 3.47Å; A482-L523 HydrophobicContact CB-CD1 4.2Å; A482-L523 HydrophobicContact CB-CD2 4.45Å
483T97.6Very high95.4Very high0 Ų07.3 Ų7.30%04%0.038CC..EExtended strand (participates in β ladder)trans-127.4146.1176.5560000110.1A448 H465 V469 K471 V472 V481 A490 R491 W493A448-T483 HydrophobicContact CB-CG2 3.58Å; H465-T483 PolarHBondContact CD2-OG1 3.26Å; H465-T483 PolarHBondContact NE2-OG1 3.13Å; V469-T483 HydrophobicContact CG1-CG2 4.14Å; K471-T483 WeakPolarHBondContact O-CA 3.23Å; V472-T483 HydrophobicContact CG2-CG2 4.15Å; V481-T483 HydrophobicContact CG1-CG2 4.24Å; T483-A490 CarbonylContact O-C 3.55Å; T483-A490 WeakPolarHBondContact O-CA 3.25Å; T483-R491 PolarHBondContact N-O 3.36Å; T483-R491 PolarHBondContact O-N 3.16Å; T483-W493 PolarHBondContact OG1-NE1 3.13Å
484A96.1Very high95.3Very high0 Ų06.2 Ų6.20%03%0.033CC..EExtended strand (participates in β ladder)trans-125.3139.417600000110V469 N470 K471 I511 I514V469-A484 CarbonylContact C-O 3.48Å; V469-A484 WeakPolarHBondContact CA-O 3.49Å; V469-A484 WeakPolarHBondContact CG1-O 3.5Å; N470-A484 PolarHBondContact N-O 3.21Å; K471-A484 HydrophobicContact CB-CB 4.29Å; K471-A484 PolarHBondContact N-O 2.95Å; K471-A484 PolarHBondContact O-N 3.25Å; A484-I511 HydrophobicContact CB-CB 3.88Å; A484-I511 HydrophobicContact CB-CG2 3.53Å; A484-I514 HydrophobicContact CB-CB 4.42Å; A484-I514 HydrophobicContact CB-CD1 3.86Å; A484-I514 HydrophobicContact CB-CG1 3.98Å; A484-I514 HydrophobicContact CB-CG2 3.65Å
485S94.9Very high95.2Very high0 Ų06.1 Ų6.10%03%0.033CC..EExtended strand (participates in β ladder)trans-138.1159.7-172.1176.90000112.6H465 C467 D468 D487 R488 T489 I511H465-S485 VanDerWaalsContact CE1-CB 3.5Å; H465-S485 WeakPolarHBondContact CE1-CB 3.4Å; H465-S485 WeakPolarHBondContact ND1-CB 3.4Å; C467-S485 PolarHBondContact O-OG 3.26Å; D468-S485 WeakPolarHBondContact O-CA 3.1Å; D468-S485 WeakPolarHBondContact O-CB 3.14Å; D468-S485 PolarHBondContact O-OG 2.99Å; S485-D487 WeakPolarHBondContact CB-OD1 3.38Å; S485-D487 PolarHBondContact O-N 2.98Å; S485-D487 PolarHBondContact OG-N 3.32Å; S485-D487 VanDerWaalsContact OG-N 3.16Å; S485-D487 PolarHBondContact OG-OD1 3.45Å; S485-R488 PolarHBondContact O-N 3.16Å; S485-T489 PolarHBondContact N-O 2.97Å; S485-I511 PolarHBondContact O-N 3.3Å
486D92Very high95Very high32 Ų3213.4 Ų13.417%0.1716%0.06CC..THydrogen-bonded Turntrans-65.8-11.9168.3-71.1-29.3000113.5C467 D468 N470 R488C467-D486 HydrophobicContact CB-CB 3.83Å; D468-D486 PolarHBondContact O-N 3.5Å; D468-D486 VanDerWaalsContact O-N 3.16Å; N470-D486 VanDerWaalsContact ND2-CG 3.31Å; N470-D486 PolarHBondContact ND2-OD1 2.83Å; D486-R488 PolarHBondContact O-N 2.8Å
487D90.8Very high94.8Very high4 Ų415.1 Ų15.12%0.0217%0.067CC..THydrogen-bonded Turntrans-70.16.3171.375.55.8000113.9C221 H465 Y466 C467 S485 T489 R491C221-D487 PolarHBondContact SG-O 2.91Å; C221-D487 VanDerWaalsContact SG-O 3.34Å; H465-D487 WeakPolarHBondContact CA-OD2 3.3Å; H465-D487 IonicContact CE1-OD1 2.66Å; H465-D487 IonicContact CE1-OD2 3.53Å; H465-D487 IonicContact CG-OD2 3.82Å; H465-D487 IonicContact ND1-OD1 2.83Å; H465-D487 PolarHBondContact ND1-OD1 2.93Å; H465-D487 IonicContact ND1-OD2 2.9Å; H465-D487 PolarHBondContact ND1-OD2 3.39Å; Y466-D487 PolarHBondContact N-OD2 3.46Å; Y466-D487 VanDerWaalsContact N-OD2 3.15Å; C467-D487 HydrophobicContact CB-CB 4.14Å; S485-D487 WeakPolarHBondContact CB-OD1 3.38Å; S485-D487 PolarHBondContact O-N 2.98Å; S485-D487 PolarHBondContact OG-N 3.32Å; S485-D487 VanDerWaalsContact OG-N 3.16Å; S485-D487 PolarHBondContact OG-OD1 3.45Å; D487-T489 VanDerWaalsContact C-N 3.25Å; D487-T489 VanDerWaalsContact CG-OG1 3.31Å; D487-T489 PolarHBondContact O-N 3.14Å; D487-T489 WeakPolarHBondContact OD1-CB 3.4Å; D487-T489 PolarHBondContact OD1-N 3.35Å; D487-T489 PolarHBondContact OD1-OG1 3.45Å; D487-T489 PolarHBondContact OD2-OG1 3.18Å; D487-R491 IonicContact OD2-NH2 3.52Å
488R93.9Very high94.7Very high3 Ų315.8 Ų15.81%0.0117%0.074CC..SBendtrans65.125.5-179.7-44.2-174179.4176.3-7113.3F139 E142 Y143 G220 S485 D486 A507 K508F139-R488 PolarHBondContact O-NH1 3.29Å; E142-R488 IonicContact OE2-CZ 3.21Å; E142-R488 IonicContact OE2-NH2 2.69Å; E142-R488 PolarHBondContact OE2-NH2 2.87Å; Y143-R488 VanDerWaalsContact CE2-NH1 3.26Å; Y143-R488 VanDerWaalsContact CZ-CZ 3.41Å; Y143-R488 VanDerWaalsContact OH-CD 3.31Å; Y143-R488 WeakPolarHBondContact OH-CD 3.46Å; Y143-R488 PolarHBondContact OH-NE 3.06Å; G220-R488 WeakPolarHBondContact O-CD 3.25Å; G220-R488 PolarHBondContact O-NH1 3.45Å; G220-R488 VanDerWaalsContact O-NH1 3.13Å; S485-R488 PolarHBondContact O-N 3.16Å; D486-R488 PolarHBondContact O-N 2.8Å; R488-A507 HydrophobicContact CB-CB 4.32Å; R488-K508 PolarHBondContact NE-O 3.05Å; R488-K508 PolarHBondContact NH1-O 3.14Å; R488-K508 VanDerWaalsContact NH1-O 3.12Å
489T94.5Very high94.6Very high0 Ų020.6 Ų20.60%010%0.097CC..  trans-124.4148.2175.373.80000111.6C221 H465 S485 D487 L503 F504 T505 I511C221-T489 HydrophobicContact CB-CG2 3.93Å; C221-T489 WeakPolarHBondContact SG-CG2 3.47Å; H465-T489 PolarHBondContact CE1-O 3.25Å; H465-T489 PolarHBondContact CE1-OG1 3.01Å; H465-T489 VanDerWaalsContact CE1-OG1 3.25Å; H465-T489 PolarHBondContact ND1-OG1 3.33Å; S485-T489 PolarHBondContact N-O 2.97Å; D487-T489 VanDerWaalsContact C-N 3.25Å; D487-T489 VanDerWaalsContact CG-OG1 3.31Å; D487-T489 PolarHBondContact O-N 3.14Å; D487-T489 WeakPolarHBondContact OD1-CB 3.4Å; D487-T489 PolarHBondContact OD1-N 3.35Å; D487-T489 PolarHBondContact OD1-OG1 3.45Å; D487-T489 PolarHBondContact OD2-OG1 3.18Å; T489-L503 HydrophobicContact CG2-CD1 4.01Å; T489-F504 WeakPolarHBondContact CA-O 3.44Å; T489-T505 HydrophobicContact CG2-CG2 4.3Å; T489-I511 VanDerWaalsContact C-CD1 3.45Å
490A95.9Very high94.5Very high0 Ų021.9 Ų21.90%011%0.105CC..EExtended strand (participates in β ladder)trans-108.6143.8159.700000108.6T483 F504 I511 I514 L523T483-A490 CarbonylContact O-C 3.55Å; T483-A490 WeakPolarHBondContact O-CA 3.25Å; A490-F504 HydrophobicContact CB-CB 4.09Å; A490-F504 HydrophobicContact CB-CD2 4.03Å; A490-F504 PolarHBondContact N-O 2.72Å; A490-F504 VanDerWaalsContact N-O 3.14Å; A490-F504 WeakPolarHBondContact O-CA 3.1Å; A490-F504 WeakPolarHBondContact O-CB 3.24Å; A490-F504 PolarHBondContact O-N 3.46Å; A490-I511 HydrophobicContact CB-CD1 3.93Å; A490-I514 HydrophobicContact CB-CG2 4.46Å; A490-L523 HydrophobicContact CB-CD2 4.35Å
491R95.9Very high94.4Very high18 Ų1822.3 Ų22.37%0.06811%0.108CC..EExtended strand (participates in β ladder)trans-128144.3-178.7-67.3-179.3-171.8-154.111.4110.5G464 Y466 A482 T483 D487 W493 R502 L503G464-R491 VanDerWaalsContact CA-NH1 3.27Å; G464-R491 PolarHBondContact O-NH1 3.46Å; G464-R491 PolarHBondContact O-NH2 2.89Å; Y466-R491 VanDerWaalsContact CE2-NH2 3.32Å; A482-R491 CarbonylContact C-O 3.51Å; A482-R491 WeakPolarHBondContact CA-O 3.41Å; T483-R491 PolarHBondContact N-O 3.36Å; T483-R491 PolarHBondContact O-N 3.16Å; D487-R491 IonicContact OD2-NH2 3.52Å; R491-W493 HydrophobicContact CB-CZ2 3.86Å; R491-W493 VanDerWaalsContact CD-CZ2 3.47Å; R491-W493 HydrophobicContact CG-CZ2 4.32Å; R491-R502 WeakPolarHBondContact CA-O 3.49Å; R491-L503 HydrophobicContact CG-CD1 3.61Å
492L97.2Very high94.3Very high1 Ų122.7 Ų22.71%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-109.5129.4170.9-16869.7000109V235 Y480 V481 A482 C500 V501 R502 F504 F516 I537V235-L492 HydrophobicContact CG1-CD2 3.93Å; Y480-L492 HydrophobicContact CD1-CD2 4.31Å; Y480-L492 HydrophobicContact CD1-CG 4.29Å; Y480-L492 HydrophobicContact CG-CD2 4.47Å; Y480-L492 HydrophobicContact CG-CG 4.46Å; V481-L492 WeakPolarHBondContact O-CA 3.31Å; A482-L492 HydrophobicContact CB-CD1 4.08Å; L492-C500 CarbonylContact O-C 3.56Å; L492-C500 WeakPolarHBondContact O-CA 3.35Å; L492-V501 HydrophobicContact CB-CG2 4.12Å; L492-V501 HydrophobicContact CD2-CG2 3.99Å; L492-V501 HydrophobicContact CG-CG2 3.96Å; L492-V501 WeakPolarHBondContact O-CG2 3.4Å; L492-V501 PolarHBondContact O-N 3.28Å; L492-R502 HydrophobicContact CB-CB 3.76Å; L492-R502 HydrophobicContact CB-CG 4.32Å; L492-R502 HydrophobicContact CD2-CB 4.48Å; L492-R502 HydrophobicContact CD2-CG 4.14Å; L492-R502 PolarHBondContact N-O 3.44Å; L492-R502 PolarHBondContact O-N 3.05Å; L492-F504 HydrophobicContact CB-CE2 4.15Å; L492-F516 HydrophobicContact CD1-CE1 4.15Å; L492-F516 HydrophobicContact CD1-CZ 3.66Å; L492-I537 HydrophobicContact CD2-CG2 3.59Å
493W96.5Very high94.2Very high5 Ų523.2 Ų23.22%0.01911%0.113CC..EExtended strand (participates in β ladder)trans-115.8136.2-176.3-52.790.6000110.3L462 Q463 Y480 V481 T483 R491 Q499 C500L462-W493 HydrophobicContact CB-CD2 3.87Å; L462-W493 HydrophobicContact CB-CE3 4.1Å; L462-W493 HydrophobicContact CB-CG 4.2Å; L462-W493 HydrophobicContact CB-CZ2 4.42Å; L462-W493 HydrophobicContact CB-CZ3 4.48Å; L462-W493 HydrophobicContact CD1-CB 3.93Å; L462-W493 HydrophobicContact CD1-CD2 4.33Å; L462-W493 HydrophobicContact CD1-CG 3.75Å; L462-W493 HydrophobicContact CD2-CB 3.8Å; L462-W493 HydrophobicContact CD2-CD2 4.12Å; L462-W493 HydrophobicContact CD2-CE3 4.13Å; L462-W493 HydrophobicContact CD2-CG 3.98Å; L462-W493 HydrophobicContact CG-CB 4.39Å; L462-W493 HydrophobicContact CG-CD2 4.32Å; L462-W493 HydrophobicContact CG-CG 4.19Å; Q463-W493 VanDerWaalsContact O-CH2 3.23Å; Q463-W493 WeakPolarHBondContact O-CH2 3.44Å; Q463-W493 WeakPolarHBondContact O-CZ3 3.45Å; Y480-W493 WeakPolarHBondContact CA-O 3.45Å; Y480-W493 WeakPolarHBondContact CB-O 3.49Å; V481-W493 PolarHBondContact N-O 3.48Å; V481-W493 VanDerWaalsContact O-CD1 3.29Å; V481-W493 PolarHBondContact O-N 3.06Å; T483-W493 PolarHBondContact OG1-NE1 3.13Å; R491-W493 HydrophobicContact CB-CZ2 3.86Å; R491-W493 VanDerWaalsContact CD-CZ2 3.47Å; R491-W493 HydrophobicContact CG-CZ2 4.32Å; W493-Q499 WeakPolarHBondContact CA-O 3.42Å; W493-C500 HydrophobicContact CD2-CB 4.42Å; W493-C500 HydrophobicContact CE3-CB 3.8Å; W493-C500 HydrophobicContact CH2-CB 4.07Å; W493-C500 HydrophobicContact CZ3-CB 3.6Å
494D95Very high94Very high10 Ų1023.3 Ų23.35%0.05311%0.113CC..EExtended strand (participates in β ladder)trans-84.4122.6169.7177.416000110R286 Y480 R496 N497 G498 Q499 V501R286-D494 IonicContact CZ-OD1 3.66Å; R286-D494 IonicContact CZ-OD2 3.14Å; R286-D494 IonicContact NH1-OD1 3.7Å; R286-D494 PolarHBondContact NH1-OD1 3.1Å; R286-D494 IonicContact NH1-OD2 3.61Å; R286-D494 IonicContact NH2-OD1 2.92Å; R286-D494 PolarHBondContact NH2-OD1 3.05Å; R286-D494 IonicContact NH2-OD2 3.51Å; R286-D494 PolarHBondContact NH2-OD2 3.36Å; Y480-D494 HydrophobicContact CD1-CB 4.15Å; Y480-D494 HydrophobicContact CE1-CB 3.95Å; D494-R496 PolarHBondContact O-N 3.09Å; D494-R496 PolarHBondContact OD1-N 3.14Å; D494-R496 VanDerWaalsContact OD1-N 3.09Å; D494-N497 WeakPolarHBondContact CB-OD1 3.38Å; D494-N497 PolarHBondContact O-OD1 3.08Å; D494-G498 VanDerWaalsContact O-CA 3.24Å; D494-G498 WeakPolarHBondContact O-CA 3.29Å; D494-G498 PolarHBondContact O-N 3.21Å; D494-Q499 PolarHBondContact N-O 2.75Å; D494-V501 HydrophobicContact CB-CG1 3.78Å
495L94.1Very high93.9Very high12 Ų1223.7 Ų23.76%0.06312%0.115CC..THydrogen-bonded Turntrans-66-27.7-178.9-70.9177.8000113.2I287 V450 R460 F474 S478 N479 V481I287-L495 HydrophobicContact CD1-CD1 4.25Å; V450-L495 HydrophobicContact CB-CD2 4.25Å; V450-L495 HydrophobicContact CG1-CD2 3.83Å; V450-L495 HydrophobicContact CG2-CD2 3.63Å; R460-L495 PolarHBondContact NE-O 3.17Å; F474-L495 HydrophobicContact CD1-CD1 4.12Å; F474-L495 HydrophobicContact CE1-CD1 3.68Å; F474-L495 HydrophobicContact CE1-CD2 4.42Å; S478-L495 WeakPolarHBondContact O-CD1 3.45Å; N479-L495 WeakPolarHBondContact O-CB 3.4Å; N479-L495 WeakPolarHBondContact O-CG 3.35Å; N479-L495 PolarHBondContact O-N 3.23Å; N479-L495 VanDerWaalsContact O-N 3.07Å; V481-L495 HydrophobicContact CB-CD2 4.4Å; V481-L495 HydrophobicContact CG2-CD1 4.26Å; V481-L495 HydrophobicContact CG2-CD2 3.51Å; V481-L495 HydrophobicContact CG2-CG 4.07Å
496R92.2Very high93.7Very high155 Ų15523.8 Ų23.859%0.58512%0.116SC*.THydrogen-bonded Turntrans-64.1-48.5-177.5-179.8175.1167.6177.1-1.9111.3I287 R460 D494I287-R496 HydrophobicContact CG2-CB 4.13Å; R460-R496 PolarHBondContact NE-O 3.05Å; R460-R496 PolarHBondContact NH2-O 3.36Å; D494-R496 PolarHBondContact O-N 3.09Å; D494-R496 PolarHBondContact OD1-N 3.14Å; D494-R496 VanDerWaalsContact OD1-N 3.09Å
497N90.4Very high93.7Very high75 Ų7522.3 Ų22.340%0.40111%0.108SC..THydrogen-bonded Turntrans-109.6-12.7-174.863.39.6000114.1D494 Q499D494-N497 WeakPolarHBondContact CB-OD1 3.38Å; D494-N497 PolarHBondContact O-OD1 3.08Å; N497-Q499 VanDerWaalsContact C-N 3.27Å; N497-Q499 HydrophobicContact CB-CG 4.3Å; N497-Q499 PolarHBondContact ND2-OE1 3.3Å; N497-Q499 VanDerWaalsContact ND2-OE1 3.14Å; N497-Q499 PolarHBondContact O-N 3.19Å; N497-Q499 WeakPolarHBondContact OD1-CB 3.46Å; N497-Q499 PolarHBondContact OD1-N 3.19Å
498G90.6Very high93.8Very high15 Ų1523.4 Ų23.416%0.15511%0.113CC..  trans74.611.1-175.800000114.6D494D494-G498 VanDerWaalsContact O-CA 3.24Å; D494-G498 WeakPolarHBondContact O-CA 3.29Å; D494-G498 PolarHBondContact O-N 3.21Å
499Q92.4Very high93.7Very high100 Ų10023.7 Ų23.747%0.46712%0.115SC..  trans-87.8148.4-177.4-65.4-176.4-28.900111.7W493 D494 N497 V501W493-Q499 WeakPolarHBondContact CA-O 3.42Å; D494-Q499 PolarHBondContact N-O 2.75Å; N497-Q499 VanDerWaalsContact C-N 3.27Å; N497-Q499 HydrophobicContact CB-CG 4.3Å; N497-Q499 PolarHBondContact ND2-OE1 3.3Å; N497-Q499 VanDerWaalsContact ND2-OE1 3.14Å; N497-Q499 PolarHBondContact O-N 3.19Å; N497-Q499 WeakPolarHBondContact OD1-CB 3.46Å; N497-Q499 PolarHBondContact OD1-N 3.19Å; Q499-V501 PolarHBondContact O-N 2.66Å
500C93.8Very high93.6Very high27 Ų2723.9 Ų23.918%0.18212%0.117CC..EExtended strand (participates in β ladder)trans-72.9115.3169.8-175.10000109.3L492 W493 R502L492-C500 CarbonylContact O-C 3.56Å; L492-C500 WeakPolarHBondContact O-CA 3.35Å; W493-C500 HydrophobicContact CD2-CB 4.42Å; W493-C500 HydrophobicContact CE3-CB 3.8Å; W493-C500 HydrophobicContact CH2-CB 4.07Å; W493-C500 HydrophobicContact CZ3-CB 3.6Å; C500-R502 PolarHBondContact SG-O 2.97Å
501V94.5Very high93.5Very high12 Ų1223.9 Ų23.97%0.07312%0.117CC..EExtended strand (participates in β ladder)trans-102.4-16.3179.9-64.30000113S233 V235 Y480 L492 D494 Q499S233-V501 PolarHBondContact OG-O 3Å; V235-V501 HydrophobicContact CG2-CB 3.94Å; V235-V501 HydrophobicContact CG2-CG2 3.89Å; Y480-V501 HydrophobicContact CD1-CG2 3.97Å; Y480-V501 HydrophobicContact CE1-CG2 4.02Å; L492-V501 HydrophobicContact CB-CG2 4.12Å; L492-V501 HydrophobicContact CD2-CG2 3.99Å; L492-V501 HydrophobicContact CG-CG2 3.96Å; L492-V501 WeakPolarHBondContact O-CG2 3.4Å; L492-V501 PolarHBondContact O-N 3.28Å; D494-V501 HydrophobicContact CB-CG1 3.78Å; Q499-V501 PolarHBondContact O-N 2.66Å
502R95Very high93.3Very high8 Ų823.5 Ų23.53%0.0312%0.119CC..EExtended strand (participates in β ladder)trans-142.6141.5167.5-65.2-69.1179.9-102.67.2110.1I230 S231 S233 V235 R491 L492 C500 F504 I537 G538I230-R502 PolarHBondContact O-NH1 3.07Å; I230-R502 VanDerWaalsContact O-NH1 3.09Å; S231-R502 PolarHBondContact O-NH1 3.3Å; S231-R502 VanDerWaalsContact O-NH1 3.12Å; S231-R502 PolarHBondContact O-NH2 3.23Å; S233-R502 PolarHBondContact O-NH1 3.05Å; S233-R502 PolarHBondContact O-NH2 3.31Å; S233-R502 PolarHBondContact OG-NH1 3.13Å; V235-R502 HydrophobicContact CG2-CG 4.27Å; R491-R502 WeakPolarHBondContact CA-O 3.49Å; L492-R502 HydrophobicContact CB-CB 3.76Å; L492-R502 HydrophobicContact CB-CG 4.32Å; L492-R502 HydrophobicContact CD2-CB 4.48Å; L492-R502 HydrophobicContact CD2-CG 4.14Å; L492-R502 PolarHBondContact N-O 3.44Å; L492-R502 PolarHBondContact O-N 3.05Å; C500-R502 PolarHBondContact SG-O 2.97Å; R502-F504 HydrophobicContact CB-CE1 3.99Å; R502-F504 HydrophobicContact CB-CE2 3.95Å; R502-F504 HydrophobicContact CB-CZ 3.61Å; R502-F504 HydrophobicContact CG-CE1 4.37Å; R502-F504 HydrophobicContact CG-CZ 4.04Å; R502-I537 PolarHBondContact NE-O 3.14Å; R502-G538 PolarHBondContact NH2-O 3.34Å
503L94.5Very high93.2Very high11 Ų1123.7 Ų23.76%0.05812%0.12CC..EExtended strand (participates in β ladder)trans-122.5108.6171.1173.865.5000107.8C226 I230 T489 R491 T505C226-L503 HydrophobicContact CB-CB 4.36Å; C226-L503 HydrophobicContact CB-CD2 4.49Å; C226-L503 HydrophobicContact CB-CG 4.48Å; C226-L503 WeakPolarHBondContact CB-O 3.39Å; C226-L503 PolarHBondContact SG-O 3.43Å; I230-L503 HydrophobicContact CG2-CB 4.04Å; T489-L503 HydrophobicContact CG2-CD1 4.01Å; R491-L503 HydrophobicContact CG-CD1 3.61Å; L503-T505 HydrophobicContact CD2-CG2 4.46Å; L503-T505 HydrophobicContact CG-CG2 4.13Å
504F94.5Very high93.2Very high2 Ų224 Ų241%0.00912%0.123CC..EExtended strand (participates in β ladder)trans-90.5115.5179.5-55.8-65000109.2T489 A490 L492 R502 L523 W535 I537T489-F504 WeakPolarHBondContact CA-O 3.44Å; A490-F504 HydrophobicContact CB-CB 4.09Å; A490-F504 HydrophobicContact CB-CD2 4.03Å; A490-F504 PolarHBondContact N-O 2.72Å; A490-F504 VanDerWaalsContact N-O 3.14Å; A490-F504 WeakPolarHBondContact O-CA 3.1Å; A490-F504 WeakPolarHBondContact O-CB 3.24Å; A490-F504 PolarHBondContact O-N 3.46Å; L492-F504 HydrophobicContact CB-CE2 4.15Å; R502-F504 HydrophobicContact CB-CE1 3.99Å; R502-F504 HydrophobicContact CB-CE2 3.95Å; R502-F504 HydrophobicContact CB-CZ 3.61Å; R502-F504 HydrophobicContact CG-CE1 4.37Å; R502-F504 HydrophobicContact CG-CZ 4.04Å; F504-L523 HydrophobicContact CD2-CD2 3.56Å; F504-L523 HydrophobicContact CE2-CD2 3.42Å; F504-L523 VanDerWaalsContact CE2-CD2 3.42Å; F504-L523 HydrophobicContact CG-CD2 4.46Å; F504-L523 HydrophobicContact CZ-CD2 4.23Å; F504-W535 HydrophobicContact CB-CD2 3.88Å; F504-W535 HydrophobicContact CB-CE3 4.27Å; F504-W535 HydrophobicContact CB-CG 4.24Å; F504-W535 HydrophobicContact CB-CH2 4.27Å; F504-W535 HydrophobicContact CB-CZ2 3.93Å; F504-W535 HydrophobicContact CB-CZ3 4.45Å; F504-W535 HydrophobicContact CD1-CB 3.67Å; F504-W535 AromaticContact CD1-CD1 3.79Å; F504-W535 HydrophobicContact CD1-CD2 4Å; F504-W535 AromaticContact CD1-CG 3.55Å; F504-W535 HydrophobicContact CD1-CG 3.55Å; F504-W535 HydrophobicContact CE1-CB 3.78Å; F504-W535 HydrophobicContact CE1-CG 4.19Å; F504-W535 HydrophobicContact CG-CB 4.49Å; F504-W535 HydrophobicContact CG-CD2 4.04Å; F504-W535 HydrophobicContact CG-CE3 4.33Å; F504-W535 HydrophobicContact CG-CG 4.1Å; F504-I537 HydrophobicContact CZ-CG1 4.27Å
505T93Very high93.2Very high8 Ų824.7 Ų24.75%0.04913%0.128CC..  trans-115.9162.7179.647.40000109.6V218 C221 T489 L503 W535V218-T505 WeakPolarHBondContact CG1-OG1 3.32Å; C221-T505 HydrophobicContact CB-CG2 4.4Å; T489-T505 HydrophobicContact CG2-CG2 4.3Å; L503-T505 HydrophobicContact CD2-CG2 4.46Å; L503-T505 HydrophobicContact CG-CG2 4.13Å; T505-W535 PolarHBondContact O-NE1 2.77Å
506G90.6Very high93.3Very high2 Ų224.9 Ų24.92%0.02113%0.128CC..  trans127.6-22.8178.700000114.6R217 V218 K508R217-G506 WeakPolarHBondContact O-CA 3.46Å; V218-G506 WeakPolarHBondContact O-CA 3.36Å; V218-G506 PolarHBondContact O-N 3.26Å; V218-G506 VanDerWaalsContact O-N 3.12Å; G506-K508 WeakPolarHBondContact O-CD 3.31Å; G506-K508 WeakPolarHBondContact O-CE 3.42Å; G506-K508 PolarHBondContact O-N 3.12Å
507A92.6Very high93.4Very high0 Ų017.6 Ų17.60%010%0.101CC..  trans-62.8135.3178.600000111.3R488 I511 T527 L533R488-A507 HydrophobicContact CB-CB 4.32Å; A507-I511 HydrophobicContact CB-CD1 4.08Å; A507-I511 HydrophobicContact CB-CG1 3.97Å; A507-T527 HydrophobicContact CB-CG2 3.85Å; A507-L533 HydrophobicContact CB-CD1 4.1Å
508K91.9Very high93.4Very high28 Ų2817.5 Ų17.512%0.12210%0.098CC..SBendtrans-93-8.4-178.9-53.1-48.5-171170.30113.7F139 K216 S219 R488 G506 E531F139-K508 HydrophobicContact CB-CB 3.93Å; F139-K508 HydrophobicContact CB-CD 3.7Å; F139-K508 HydrophobicContact CB-CG 4.04Å; F139-K508 HydrophobicContact CD1-CD 4.14Å; F139-K508 HydrophobicContact CD2-CD 4.1Å; F139-K508 HydrophobicContact CG-CD 3.74Å; K216-K508 WeakPolarHBondContact O-CE 3.32Å; K216-K508 PolarHBondContact O-NZ 3.01Å; S219-K508 PolarHBondContact O-NZ 3.11Å; S219-K508 PolarHBondContact OG-NZ 2.94Å; S219-K508 VanDerWaalsContact OG-NZ 3.17Å; R488-K508 PolarHBondContact NE-O 3.05Å; R488-K508 PolarHBondContact NH1-O 3.14Å; R488-K508 VanDerWaalsContact NH1-O 3.12Å; G506-K508 WeakPolarHBondContact O-CD 3.31Å; G506-K508 WeakPolarHBondContact O-CE 3.42Å; G506-K508 PolarHBondContact O-N 3.12Å; K508-E531 WeakPolarHBondContact CB-OE2 3.34Å; K508-E531 VanDerWaalsContact CG-OE2 3.31Å; K508-E531 WeakPolarHBondContact CG-OE2 3.29Å
509S92.3Very high93.4Very high8 Ų819.1 Ų19.16%0.05611%0.11CC..SBendtrans-144172.6176-168.10000109.1
510G92.2Very high93.4Very high4 Ų414.3 Ų14.34%0.0419%0.087CC..  trans-54.5150.9178.100000111.7T527 L528G510-T527 CarbonylContact O-C 3.49Å; G510-T527 WeakPolarHBondContact O-CA 3.35Å; G510-T527 WeakPolarHBondContact O-CB 3.45Å; G510-L528 WeakPolarHBondContact O-CG 3.17Å; G510-L528 PolarHBondContact O-N 3.49Å
511I94.9Very high93.4Very high0 Ų015.9 Ų15.90%09%0.094CC..EExtended strand (participates in β ladder)trans-96.9114.4179.6-54.5-177.7000108.7N470 A484 S485 T489 A490 A507 S513 I514 W535N470-I511 WeakPolarHBondContact CB-O 3.47Å; N470-I511 PolarHBondContact ND2-O 2.8Å; A484-I511 HydrophobicContact CB-CB 3.88Å; A484-I511 HydrophobicContact CB-CG2 3.53Å; S485-I511 PolarHBondContact O-N 3.3Å; T489-I511 VanDerWaalsContact C-CD1 3.45Å; A490-I511 HydrophobicContact CB-CD1 3.93Å; A507-I511 HydrophobicContact CB-CD1 4.08Å; A507-I511 HydrophobicContact CB-CG1 3.97Å; I511-S513 WeakPolarHBondContact CG2-O 3.31Å; I511-I514 HydrophobicContact CG2-CG2 4.02Å; I511-W535 HydrophobicContact CD1-CH2 4.44Å
512G92.1Very high93.3Very high11 Ų1115.9 Ų15.911%0.1139%0.094CC..EExtended strand (participates in β ladder)trans-91.7-26.4-178.700000113.7K471 G526K471-G512 WeakPolarHBondContact CG-O 3.48Å; G512-G526 PolarHBondContact N-O 3.05Å
513S93.6Very high93.3Very high4 Ų415.5 Ų15.53%0.0289%0.093CC..EExtended strand (participates in β ladder)trans-143.6148.1-177.258.60000112.6I511 S525 G526 T553 Y554I511-S513 WeakPolarHBondContact CG2-O 3.31Å; S513-S525 CarbonylContact O-C 3.51Å; S513-S525 WeakPolarHBondContact O-CA 3.18Å; S513-G526 PolarHBondContact N-O 2.99Å; S513-G526 VanDerWaalsContact N-O 3.16Å; S513-G526 PolarHBondContact O-N 3.14Å; S513-T553 PolarHBondContact OG-O 3.18Å; S513-Y554 WeakPolarHBondContact CB-O 3.02Å
514I96.5Very high93.4Very high13 Ų1315 Ų157%0.0679%0.09CC..EExtended strand (participates in β ladder)trans-142.3150.8174.446.7171.7000110.7K471 I473 A482 A484 A490 I511 L523 A524K471-I514 HydrophobicContact CB-CD1 4.42Å; K471-I514 HydrophobicContact CB-CG1 3.91Å; I473-I514 HydrophobicContact CD1-CB 4.1Å; I473-I514 HydrophobicContact CD1-CD1 3.96Å; I473-I514 HydrophobicContact CD1-CG1 3.9Å; I473-I514 HydrophobicContact CG1-CD1 3.73Å; I473-I514 HydrophobicContact CG1-CG1 4.08Å; I473-I514 HydrophobicContact CG2-CG1 4.35Å; A482-I514 HydrophobicContact CB-CD1 4.02Å; A484-I514 HydrophobicContact CB-CB 4.42Å; A484-I514 HydrophobicContact CB-CD1 3.86Å; A484-I514 HydrophobicContact CB-CG1 3.98Å; A484-I514 HydrophobicContact CB-CG2 3.65Å; A490-I514 HydrophobicContact CB-CG2 4.46Å; I511-I514 HydrophobicContact CG2-CG2 4.02Å; I514-L523 HydrophobicContact CB-CD1 4.38Å; I514-A524 CarbonylContact C-O 3.53Å; I514-A524 VanDerWaalsContact CA-O 3.24Å; I514-A524 WeakPolarHBondContact CA-O 3.31Å
515S95.9Very high93.4Very high24 Ų2414.9 Ų14.917%0.1689%0.09CC..EExtended strand (participates in β ladder)trans-153.8139.6176.6-168.70000111A524S515-A524 PolarHBondContact N-O 3.16Å; S515-A524 PolarHBondContact O-N 3.44Å
516F95.6Very high93.5Very high16 Ų1614.5 Ų14.57%0.079%0.088CC..EExtended strand (participates in β ladder)trans-85.1149.9172.4-74.7-69.8000110.8I473 F474 H475 A482 L492 S522 L523 I537 Y558I473-F516 HydrophobicContact CD1-CD2 3.42Å; I473-F516 VanDerWaalsContact CD1-CD2 3.42Å; I473-F516 HydrophobicContact CD1-CE2 3.65Å; I473-F516 HydrophobicContact CD1-CG 4.18Å; I473-F516 HydrophobicContact CG1-CD2 3.86Å; I473-F516 HydrophobicContact CG1-CE2 3.65Å; F474-F516 WeakPolarHBondContact O-CD2 3.35Å; H475-F516 VanDerWaalsContact CA-CE2 3.43Å; H475-F516 HydrophobicContact CB-CD2 4.38Å; H475-F516 HydrophobicContact CB-CE1 4.48Å; H475-F516 HydrophobicContact CB-CE2 3.85Å; H475-F516 HydrophobicContact CB-CZ 3.9Å; H475-F516 AromaticContact CD2-CD1 3.89Å; H475-F516 AromaticContact CD2-CE1 3.8Å; A482-F516 HydrophobicContact CB-CE1 4.39Å; A482-F516 HydrophobicContact CB-CE2 3.79Å; A482-F516 HydrophobicContact CB-CZ 3.47Å; A482-F516 VanDerWaalsContact CB-CZ 3.47Å; L492-F516 HydrophobicContact CD1-CE1 4.15Å; L492-F516 HydrophobicContact CD1-CZ 3.66Å; F516-S522 WeakPolarHBondContact CA-O 3.38Å; F516-L523 HydrophobicContact CD1-CB 4.33Å; F516-L523 HydrophobicContact CD1-CD1 3.72Å; F516-L523 HydrophobicContact CD2-CD1 4.45Å; F516-L523 HydrophobicContact CE1-CB 4.38Å; F516-L523 HydrophobicContact CE1-CD1 3.69Å; F516-L523 HydrophobicContact CE2-CD1 4.44Å; F516-L523 HydrophobicContact CG-CD1 4.12Å; F516-L523 HydrophobicContact CZ-CD1 4.09Å; F516-I537 HydrophobicContact CD1-CD1 3.69Å; F516-I537 HydrophobicContact CE1-CD1 3.46Å; F516-I537 VanDerWaalsContact CE1-CD1 3.46Å; F516-I537 HydrophobicContact CE1-CG1 4.48Å; F516-Y558 VanDerWaalsContact O-CD2 3.29Å; F516-Y558 WeakPolarHBondContact O-CD2 3.14Å
517S93.8Very high93.7Very high1 Ų114.4 Ų14.41%0.0079%0.087CC..  trans-62.4151.1160.848.30000110.4A519 G520 D521 S522S517-A519 PolarHBondContact O-N 3.26Å; S517-G520 WeakPolarHBondContact O-CA 3.36Å; S517-G520 PolarHBondContact O-N 3.49Å; S517-G520 PolarHBondContact OG-N 3.07Å; S517-D521 PolarHBondContact OG-N 3.21Å; S517-D521 PolarHBondContact OG-OD1 2.91Å; S517-S522 WeakPolarHBondContact CB-OG 3.47Å; S517-S522 PolarHBondContact N-O 3.3Å; S517-S522 PolarHBondContact OG-N 3.24Å; S517-S522 PolarHBondContact OG-O 3.38Å; S517-S522 PolarHBondContact OG-OG 3.11Å
518H91.7Very high93.6Very high74 Ų7415.8 Ų15.834%0.3439%0.094SC..THydrogen-bonded Turntrans-64.4-25.7174.1-69.3-77.4000112.2L239 G520 Y558 S559 D562L239-H518 WeakPolarHBondContact CD1-O 3.49Å; H518-G520 VanDerWaalsContact C-N 3.29Å; H518-Y558 PolarHBondContact NE2-O 3.27Å; H518-S559 PolarHBondContact CD2-O 2.9Å; H518-D562 IonicContact CD2-OD1 2.8Å; H518-D562 PolarHBondContact CD2-OD1 3Å; H518-D562 IonicContact CG-OD1 3.26Å; H518-D562 VanDerWaalsContact N-CG 3.33Å; H518-D562 PolarHBondContact N-OD1 3.04Å; H518-D562 PolarHBondContact N-OD2 3.26Å; H518-D562 VanDerWaalsContact N-OD2 3.09Å
519A90.7Very high93.6Very high48 Ų4817 Ų1740%0.39710%0.101SC..THydrogen-bonded Turntrans-72.7-16.5170.400000113.9S517 D521 D562S517-A519 PolarHBondContact O-N 3.26Å; A519-D521 VanDerWaalsContact C-N 3.3Å; A519-D521 PolarHBondContact O-N 3.19Å; A519-D562 WeakPolarHBondContact CB-OD2 3.29Å; A519-D562 PolarHBondContact N-OD2 3.38Å
520G92.2Very high93.5Very high0 Ų016.6 Ų16.60%010%0.099CC..SBendtrans78.31.7176.400000115.4Y237 H475 S517 H518 I537Y237-G520 WeakPolarHBondContact CB-O 3.22Å; H475-G520 WeakPolarHBondContact NE2-CA 3.29Å; H475-G520 PolarHBondContact NE2-O 3.5Å; S517-G520 WeakPolarHBondContact O-CA 3.36Å; S517-G520 PolarHBondContact O-N 3.49Å; S517-G520 PolarHBondContact OG-N 3.07Å; H518-G520 VanDerWaalsContact C-N 3.29Å; G520-I537 VanDerWaalsContact O-CD1 3.31Å; G520-I537 WeakPolarHBondContact O-CD1 3.35Å
521D92.7Very high93.5Very high59 Ų5918.8 Ų18.832%0.31611%0.108SC..SBendtrans-89.4-20.2-176.562.4-17.2000114.5Y237 S517 A519 H536 I537Y237-D521 HydrophobicContact CD2-CB 3.86Å; Y237-D521 HydrophobicContact CE2-CB 3.84Å; S517-D521 PolarHBondContact OG-N 3.21Å; S517-D521 PolarHBondContact OG-OD1 2.91Å; A519-D521 VanDerWaalsContact C-N 3.3Å; A519-D521 PolarHBondContact O-N 3.19Å; D521-H536 PolarHBondContact O-ND1 3.16Å; D521-I537 WeakPolarHBondContact O-CB 3.23Å; D521-I537 PolarHBondContact O-N 3.38Å
522S93.4Very high93.5Very high13 Ų1318.8 Ų18.89%0.09111%0.108CC..EExtended strand (participates in β ladder)trans-126.7152.8-17480.70000113.1F516 S517 W535 Y558F516-S522 WeakPolarHBondContact CA-O 3.38Å; S517-S522 WeakPolarHBondContact CB-OG 3.47Å; S517-S522 PolarHBondContact N-O 3.3Å; S517-S522 PolarHBondContact OG-N 3.24Å; S517-S522 PolarHBondContact OG-O 3.38Å; S517-S522 PolarHBondContact OG-OG 3.11Å; S522-W535 CarbonylContact C-O 3.5Å; S522-W535 WeakPolarHBondContact CA-O 3.31Å; S522-W535 WeakPolarHBondContact CB-O 3.43Å; S522-Y558 PolarHBondContact OG-OH 2.99Å
523L95.3Very high93.6Very high0 Ų018.5 Ų18.50%010%0.104CC..EExtended strand (participates in β ladder)trans-128.2124.1176.2-178.774.5000108.4I473 A482 A490 F504 I514 F516 C534 W535 I537I473-L523 HydrophobicContact CD1-CD1 3.98Å; A482-L523 HydrophobicContact CB-CD1 4.2Å; A482-L523 HydrophobicContact CB-CD2 4.45Å; A490-L523 HydrophobicContact CB-CD2 4.35Å; F504-L523 HydrophobicContact CD2-CD2 3.56Å; F504-L523 HydrophobicContact CE2-CD2 3.42Å; F504-L523 VanDerWaalsContact CE2-CD2 3.42Å; F504-L523 HydrophobicContact CG-CD2 4.46Å; F504-L523 HydrophobicContact CZ-CD2 4.23Å; I514-L523 HydrophobicContact CB-CD1 4.38Å; F516-L523 HydrophobicContact CD1-CB 4.33Å; F516-L523 HydrophobicContact CD1-CD1 3.72Å; F516-L523 HydrophobicContact CD2-CD1 4.45Å; F516-L523 HydrophobicContact CE1-CB 4.38Å; F516-L523 HydrophobicContact CE1-CD1 3.69Å; F516-L523 HydrophobicContact CE2-CD1 4.44Å; F516-L523 HydrophobicContact CG-CD1 4.12Å; F516-L523 HydrophobicContact CZ-CD1 4.09Å; L523-C534 CarbonylContact O-C 3.53Å; L523-C534 VanDerWaalsContact O-CA 3.32Å; L523-C534 WeakPolarHBondContact O-CA 3.27Å; L523-W535 HydrophobicContact CD2-CE3 4.34Å; L523-W535 HydrophobicContact CG-CE3 4.46Å; L523-W535 PolarHBondContact N-O 2.79Å; L523-W535 PolarHBondContact O-N 2.59Å; L523-I537 HydrophobicContact CB-CG1 4.43Å
524A95.2Very high93.6Very high0 Ų018.4 Ų18.40%010%0.103CC..EExtended strand (participates in β ladder)trans-96.3149.7167.700000110.7I514 S515 M532 L533 L556 Y558 L565I514-A524 CarbonylContact C-O 3.53Å; I514-A524 VanDerWaalsContact CA-O 3.24Å; I514-A524 WeakPolarHBondContact CA-O 3.31Å; S515-A524 PolarHBondContact N-O 3.16Å; S515-A524 PolarHBondContact O-N 3.44Å; A524-M532 HydrophobicContact CB-CE 4.47Å; A524-L533 CarbonylContact C-O 3.29Å; A524-L533 WeakPolarHBondContact CA-O 3.37Å; A524-L556 HydrophobicContact CB-CD1 4.18Å; A524-Y558 HydrophobicContact CB-CE2 3.65Å; A524-Y558 WeakPolarHBondContact CB-OH 3.49Å; A524-L565 HydrophobicContact CB-CD1 4.34Å; A524-L565 HydrophobicContact CB-CD2 3.72Å
525S95.5Very high93.5Very high0 Ų018 Ų180%010%0.101CC..EExtended strand (participates in β ladder)trans-138.2150.416969.10000112.4S513 M532 L533 W535S513-S525 CarbonylContact O-C 3.51Å; S513-S525 WeakPolarHBondContact O-CA 3.18Å; S525-M532 WeakPolarHBondContact O-CA 3.27Å; S525-M532 WeakPolarHBondContact O-CE 3.38Å; S525-L533 PolarHBondContact N-O 3.35Å; S525-L533 PolarHBondContact O-N 3.44Å; S525-L533 PolarHBondContact OG-O 2.96Å; S525-W535 VanDerWaalsContact CB-CZ3 3.47Å; S525-W535 WeakPolarHBondContact OG-CH2 3.44Å; S525-W535 WeakPolarHBondContact OG-CZ3 3.15Å
526G94.3Very high93.4Very high0 Ų018.2 Ų18.20%010%0.099CC..EExtended strand (participates in β ladder)trans-120.1129175.500000109.7G512 S513 M532G512-G526 PolarHBondContact N-O 3.05Å; S513-G526 PolarHBondContact N-O 2.99Å; S513-G526 VanDerWaalsContact N-O 3.16Å; S513-G526 PolarHBondContact O-N 3.14Å; G526-M532 VanDerWaalsContact CA-SD 3.57Å
527T94.6Very high93.2Very high0 Ų017.5 Ų17.50%010%0.096CC..EExtended strand (participates in β ladder)trans-95.2167.4-176.460.70000112.2A507 G510 N529 G530 E531 L533 C552 T553A507-T527 HydrophobicContact CB-CG2 3.85Å; G510-T527 CarbonylContact O-C 3.49Å; G510-T527 WeakPolarHBondContact O-CA 3.35Å; G510-T527 WeakPolarHBondContact O-CB 3.45Å; T527-N529 VanDerWaalsContact CB-OD1 3.26Å; T527-N529 WeakPolarHBondContact CB-OD1 3.25Å; T527-N529 PolarHBondContact O-N 3.16Å; T527-N529 PolarHBondContact OG1-OD1 3.44Å; T527-G530 PolarHBondContact O-N 3.15Å; T527-G530 VanDerWaalsContact O-N 3.15Å; T527-G530 PolarHBondContact OG1-N 3.35Å; T527-E531 HydrophobicContact CG2-CB 4.31Å; T527-E531 PolarHBondContact N-O 2.86Å; T527-E531 WeakPolarHBondContact OG1-CA 3.35Å; T527-E531 WeakPolarHBondContact OG1-CB 3.45Å; T527-E531 PolarHBondContact OG1-N 2.71Å; T527-E531 PolarHBondContact OG1-O 2.77Å; T527-L533 HydrophobicContact CG2-CD1 3.61Å; T527-C552 WeakPolarHBondContact O-CA 3.09Å; T527-T553 PolarHBondContact O-N 2.93Å
528L92Very high93Very high29 Ų2918.5 Ų18.515%0.15211%0.106CC..THydrogen-bonded Turntrans-67.4-21.2176.7-57.4179.3000113.3G510 K551 C552 A625G510-L528 WeakPolarHBondContact O-CG 3.17Å; G510-L528 PolarHBondContact O-N 3.49Å; L528-K551 CarbonylContact O-C 3.47Å; L528-C552 HydrophobicContact CD2-CB 4.25Å; L528-C552 VanDerWaalsContact CD2-SG 3.53Å; L528-C552 WeakPolarHBondContact O-CA 3.26Å; L528-C552 PolarHBondContact O-N 2.87Å; L528-A625 HydrophobicContact CD1-CB 4.27Å
529N90.4Very high92.7Very high53 Ų5321 Ų2128%0.28312%0.118SC..THydrogen-bonded Turntrans-91.50.4174.168.1-17.1000113.8T527 E531T527-N529 VanDerWaalsContact CB-OD1 3.26Å; T527-N529 WeakPolarHBondContact CB-OD1 3.25Å; T527-N529 PolarHBondContact O-N 3.16Å; T527-N529 PolarHBondContact OG1-OD1 3.44Å; N529-E531 PolarHBondContact ND2-OE1 3.06Å; N529-E531 PolarHBondContact ND2-OE2 2.89Å
530G91.2Very high92.5Very high0 Ų020 Ų200%011%0.108CC..SBendtrans87.69.4176.500000115.5T527 L548 H549 K551 T553T527-G530 PolarHBondContact O-N 3.15Å; T527-G530 VanDerWaalsContact O-N 3.15Å; T527-G530 PolarHBondContact OG1-N 3.35Å; G530-L548 PolarHBondContact O-N 3.49Å; G530-H549 WeakPolarHBondContact CA-O 3.24Å; G530-H549 PolarHBondContact O-N 3.37Å; G530-H549 VanDerWaalsContact O-N 3.16Å; G530-K551 WeakPolarHBondContact CA-O 3.37Å; G530-K551 PolarHBondContact N-O 2.8Å; G530-T553 WeakPolarHBondContact CA-OG1 3.13Å
531E93Very high92.2Very high50 Ų5026.1 Ų26.123%0.23414%0.135CC..EExtended strand (participates in β ladder)trans-75.4142.2170-65.8175167.300110.6K508 T527 N529 L533 L547K508-E531 WeakPolarHBondContact CB-OE2 3.34Å; K508-E531 VanDerWaalsContact CG-OE2 3.31Å; K508-E531 WeakPolarHBondContact CG-OE2 3.29Å; T527-E531 HydrophobicContact CG2-CB 4.31Å; T527-E531 PolarHBondContact N-O 2.86Å; T527-E531 WeakPolarHBondContact OG1-CA 3.35Å; T527-E531 WeakPolarHBondContact OG1-CB 3.45Å; T527-E531 PolarHBondContact OG1-N 2.71Å; T527-E531 PolarHBondContact OG1-O 2.77Å; N529-E531 PolarHBondContact ND2-OE1 3.06Å; N529-E531 PolarHBondContact ND2-OE2 2.89Å; E531-L533 HydrophobicContact CB-CD1 4.47Å; E531-L547 HydrophobicContact CG-CB 4.49Å; E531-L547 HydrophobicContact CG-CD1 3.66Å
532M93.9Very high92.2Very high0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-111.4129.1175.6-71.9-53.8-52.500109.2A524 S525 G526 D545 R546 L548 T553 L556 L565 T567 M584A524-M532 HydrophobicContact CB-CE 4.47Å; S525-M532 WeakPolarHBondContact O-CA 3.27Å; S525-M532 WeakPolarHBondContact O-CE 3.38Å; G526-M532 VanDerWaalsContact CA-SD 3.57Å; M532-D545 CarbonylContact O-C 3.57Å; M532-D545 VanDerWaalsContact O-CA 3.24Å; M532-D545 WeakPolarHBondContact O-CA 3.34Å; M532-R546 WeakPolarHBondContact CB-O 3.35Å; M532-R546 PolarHBondContact N-O 2.99Å; M532-R546 PolarHBondContact O-N 2.88Å; M532-L548 HydrophobicContact CB-CD1 4.12Å; M532-L548 HydrophobicContact CG-CB 4.29Å; M532-L548 HydrophobicContact CG-CD1 3.52Å; M532-L548 HydrophobicContact CG-CG 4.06Å; M532-T553 HydrophobicContact SD-CG2 3.65Å; M532-L556 HydrophobicContact CE-CD1 3.78Å; M532-L556 HydrophobicContact CE-CD2 3.17Å; M532-L556 HydrophobicContact CE-CG 4.11Å; M532-L556 HydrophobicContact SD-CD2 3.6Å; M532-L556 VanDerWaalsContact SD-CD2 3.6Å; M532-L565 HydrophobicContact CE-CD2 3.92Å; M532-T567 HydrophobicContact CE-CG2 3.95Å; M532-T567 HydrophobicContact CG-CG2 4.14Å; M532-T567 HydrophobicContact SD-CG2 3.94Å; M532-M584 HydrophobicContact CB-CE 3.99Å; M532-M584 HydrophobicContact CB-SD 3.78Å; M532-M584 HydrophobicContact CG-CE 4.22Å
533L93.9Very high92Very high4 Ų426.5 Ų26.52%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-124.3133.5174.8-60.897.2000109.6A507 A524 S525 T527 E531 W535 L542A507-L533 HydrophobicContact CB-CD1 4.1Å; A524-L533 CarbonylContact C-O 3.29Å; A524-L533 WeakPolarHBondContact CA-O 3.37Å; S525-L533 PolarHBondContact N-O 3.35Å; S525-L533 PolarHBondContact O-N 3.44Å; S525-L533 PolarHBondContact OG-O 2.96Å; T527-L533 HydrophobicContact CG2-CD1 3.61Å; E531-L533 HydrophobicContact CB-CD1 4.47Å; L533-W535 HydrophobicContact CB-CH2 3.56Å; L533-W535 HydrophobicContact CB-CZ2 3.53Å; L533-W535 HydrophobicContact CB-CZ3 4.07Å; L533-W535 HydrophobicContact CD2-CZ2 3.86Å; L533-W535 HydrophobicContact CG-CH2 4.45Å; L533-W535 HydrophobicContact CG-CZ2 4.24Å; L533-L542 HydrophobicContact CB-CD1 3.81Å; L533-L542 HydrophobicContact CD2-CD1 3.87Å; L533-L542 HydrophobicContact CD2-CD2 4.47Å; L533-L542 HydrophobicContact CG-CD1 4.29Å
534C94.4Very high91.7Very high3 Ų326.9 Ų26.92%0.0214%0.138CC..EExtended strand (participates in β ladder)trans-121.6128.6175.6-66.90000109.9L523 L543 A544 L579L523-C534 CarbonylContact O-C 3.53Å; L523-C534 VanDerWaalsContact O-CA 3.32Å; L523-C534 WeakPolarHBondContact O-CA 3.27Å; C534-L543 WeakPolarHBondContact O-CB 3.48Å; C534-L543 PolarHBondContact O-N 3.24Å; C534-A544 PolarHBondContact N-O 3.48Å; C534-A544 PolarHBondContact O-N 2.92Å; C534-L579 HydrophobicContact CB-CD2 4.44Å
535W93.8Very high91.4Very high4 Ų429.9 Ų29.92%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-117.8149.8178.3-57.3-93.3000111.8F504 T505 I511 S522 L523 S525 L533 K541 L542F504-W535 HydrophobicContact CB-CD2 3.88Å; F504-W535 HydrophobicContact CB-CE3 4.27Å; F504-W535 HydrophobicContact CB-CG 4.24Å; F504-W535 HydrophobicContact CB-CH2 4.27Å; F504-W535 HydrophobicContact CB-CZ2 3.93Å; F504-W535 HydrophobicContact CB-CZ3 4.45Å; F504-W535 HydrophobicContact CD1-CB 3.67Å; F504-W535 AromaticContact CD1-CD1 3.79Å; F504-W535 HydrophobicContact CD1-CD2 4Å; F504-W535 AromaticContact CD1-CG 3.55Å; F504-W535 HydrophobicContact CD1-CG 3.55Å; F504-W535 HydrophobicContact CE1-CB 3.78Å; F504-W535 HydrophobicContact CE1-CG 4.19Å; F504-W535 HydrophobicContact CG-CB 4.49Å; F504-W535 HydrophobicContact CG-CD2 4.04Å; F504-W535 HydrophobicContact CG-CE3 4.33Å; F504-W535 HydrophobicContact CG-CG 4.1Å; T505-W535 PolarHBondContact O-NE1 2.77Å; I511-W535 HydrophobicContact CD1-CH2 4.44Å; S522-W535 CarbonylContact C-O 3.5Å; S522-W535 WeakPolarHBondContact CA-O 3.31Å; S522-W535 WeakPolarHBondContact CB-O 3.43Å; L523-W535 HydrophobicContact CD2-CE3 4.34Å; L523-W535 HydrophobicContact CG-CE3 4.46Å; L523-W535 PolarHBondContact N-O 2.79Å; L523-W535 PolarHBondContact O-N 2.59Å; S525-W535 VanDerWaalsContact CB-CZ3 3.47Å; S525-W535 WeakPolarHBondContact OG-CH2 3.44Å; S525-W535 WeakPolarHBondContact OG-CZ3 3.15Å; L533-W535 HydrophobicContact CB-CH2 3.56Å; L533-W535 HydrophobicContact CB-CZ2 3.53Å; L533-W535 HydrophobicContact CB-CZ3 4.07Å; L533-W535 HydrophobicContact CD2-CZ2 3.86Å; L533-W535 HydrophobicContact CG-CH2 4.45Å; L533-W535 HydrophobicContact CG-CZ2 4.24Å; W535-K541 WeakPolarHBondContact CA-O 3.39Å; W535-L542 HydrophobicContact CD2-CD1 4.26Å; W535-L542 HydrophobicContact CG-CD1 4.25Å; W535-L542 HydrophobicContact CZ2-CD1 4.39Å
536H93.3Very high91.2Very high29 Ų2934 Ų3413%0.13417%0.17CC..EExtended strand (participates in β ladder)trans-88.1124.9163.3-170.7-31.7000109.3D521 G538 Q539 S540 K541 L543D521-H536 PolarHBondContact O-ND1 3.16Å; H536-G538 PolarHBondContact ND1-N 3.47Å; H536-G538 VanDerWaalsContact ND1-N 3.11Å; H536-Q539 HydrophobicContact CB-CB 4.36Å; H536-S540 WeakPolarHBondContact O-CA 3.32Å; H536-S540 PolarHBondContact O-N 2.86Å; H536-K541 PolarHBondContact N-O 3.38Å; H536-L543 HydrophobicContact CB-CD1 3.95Å; H536-L543 HydrophobicContact CB-CD2 4.02Å; H536-L543 HydrophobicContact CB-CG 3.98Å
537I93Very high91.1Very high0 Ų038.6 Ų38.60%019%0.194CC..THydrogen-bonded Turntrans-66.6-51.3-176.4-64.2166.3000111.6V235 L492 R502 F504 F516 G520 D521 L523 Q539 S540V235-I537 HydrophobicContact CB-CG2 4.44Å; V235-I537 HydrophobicContact CG1-CG2 3.71Å; L492-I537 HydrophobicContact CD2-CG2 3.59Å; R502-I537 PolarHBondContact NE-O 3.14Å; F504-I537 HydrophobicContact CZ-CG1 4.27Å; F516-I537 HydrophobicContact CD1-CD1 3.69Å; F516-I537 HydrophobicContact CE1-CD1 3.46Å; F516-I537 VanDerWaalsContact CE1-CD1 3.46Å; F516-I537 HydrophobicContact CE1-CG1 4.48Å; G520-I537 VanDerWaalsContact O-CD1 3.31Å; G520-I537 WeakPolarHBondContact O-CD1 3.35Å; D521-I537 WeakPolarHBondContact O-CB 3.23Å; D521-I537 PolarHBondContact O-N 3.38Å; L523-I537 HydrophobicContact CB-CG1 4.43Å; I537-Q539 PolarHBondContact O-N 3.48Å; I537-S540 PolarHBondContact O-N 3.27Å
538G88.9Confident90.9Very high22 Ų2239.4 Ų39.423%0.22720%0.198CC..THydrogen-bonded Turntrans-54.5-50178.900000113.3R502 H536R502-G538 PolarHBondContact NH2-O 3.34Å; H536-G538 PolarHBondContact ND1-N 3.47Å; H536-G538 VanDerWaalsContact ND1-N 3.11Å
539Q85.9Confident90.8Very high126 Ų12638 Ų3859%0.58919%0.191SC*.THydrogen-bonded Turntrans-84.8-10.9-175.6-58.7179.314.400114.3H536 I537 K541H536-Q539 HydrophobicContact CB-CB 4.36Å; I537-Q539 PolarHBondContact O-N 3.48Å; Q539-K541 HydrophobicContact CB-CB 4.19Å; Q539-K541 PolarHBondContact O-N 3.01Å; Q539-K541 VanDerWaalsContact O-N 3.17Å
540S86.2Confident90.8Very high27 Ų2742.3 Ų42.319%0.18921%0.214CC..THydrogen-bonded Turntrans53.929.9-172.7-167.10000113.7H536 I537H536-S540 WeakPolarHBondContact O-CA 3.32Å; H536-S540 PolarHBondContact O-N 2.86Å; I537-S540 PolarHBondContact O-N 3.27Å
541K86.2Confident90.7Very high129 Ų12947.9 Ų47.956%0.56124%0.239SC*.EExtended strand (participates in β ladder)trans-109.7137.8-174.9-172.8180175.5-174.80110.5W535 H536 Q539 L543W535-K541 WeakPolarHBondContact CA-O 3.39Å; H536-K541 PolarHBondContact N-O 3.38Å; Q539-K541 HydrophobicContact CB-CB 4.19Å; Q539-K541 PolarHBondContact O-N 3.01Å; Q539-K541 VanDerWaalsContact O-N 3.17Å; K541-L543 PolarHBondContact O-N 3.44Å
542L91.1Very high90.5Very high24 Ų2445.9 Ų45.913%0.12623%0.23CC..EExtended strand (participates in β ladder)trans-68.8117.7167.6-176.472.6000109.1R217 L533 W535 D545R217-L542 HydrophobicContact CB-CD2 3.88Å; R217-L542 HydrophobicContact CG-CD2 4.38Å; L533-L542 HydrophobicContact CB-CD1 3.81Å; L533-L542 HydrophobicContact CD2-CD1 3.87Å; L533-L542 HydrophobicContact CD2-CD2 4.47Å; L533-L542 HydrophobicContact CG-CD1 4.29Å; W535-L542 HydrophobicContact CD2-CD1 4.26Å; W535-L542 HydrophobicContact CG-CD1 4.25Å; W535-L542 HydrophobicContact CZ2-CD1 4.39Å; L542-D545 HydrophobicContact CD2-CB 4.18Å
543L89.9Confident90.4Very high57 Ų5745.9 Ų45.930%0.29823%0.23SC..EExtended strand (participates in β ladder)trans-83.6-44.5-180-66.9177.6000111.5C534 H536 K541 G582C534-L543 WeakPolarHBondContact O-CB 3.48Å; C534-L543 PolarHBondContact O-N 3.24Å; H536-L543 HydrophobicContact CB-CD1 3.95Å; H536-L543 HydrophobicContact CB-CD2 4.02Å; H536-L543 HydrophobicContact CB-CG 3.98Å; K541-L543 PolarHBondContact O-N 3.44Å; L543-G582 WeakPolarHBondContact O-CA 3.33Å
544A89.1Confident90.2Very high7 Ų748.7 Ų48.76%0.05824%0.241CC..EExtended strand (participates in β ladder)trans-152.6146-178.700000110.9C534 M584C534-A544 PolarHBondContact N-O 3.48Å; C534-A544 PolarHBondContact O-N 2.92Å; A544-M584 HydrophobicContact CB-CB 3.84Å
545D89.8Confident90.2Very high64 Ų6449.1 Ų49.134%0.34224%0.243SC..EExtended strand (participates in β ladder)trans-132.3133.5171.357.4-53000109.2R217 M532 L542R217-D545 WeakPolarHBondContact CD-OD1 3.41Å; R217-D545 IonicContact CZ-OD1 2.94Å; R217-D545 VanDerWaalsContact CZ-OD1 3.26Å; R217-D545 IonicContact NE-OD1 3.56Å; R217-D545 PolarHBondContact NE-OD1 3.37Å; R217-D545 IonicContact NE-OD2 2.77Å; R217-D545 IonicContact NH1-OD1 3.25Å; R217-D545 IonicContact NH2-OD1 3.69Å; M532-D545 CarbonylContact O-C 3.57Å; M532-D545 VanDerWaalsContact O-CA 3.24Å; M532-D545 WeakPolarHBondContact O-CA 3.34Å; L542-D545 HydrophobicContact CD2-CB 4.18Å
546R91Very high90.2Very high85 Ų8549.7 Ų49.732%0.32125%0.246SC..EExtended strand (participates in β ladder)trans-155.2134.1178.6-173.7165175.1150.64.1112.4M532 L548 M584 Q586M532-R546 WeakPolarHBondContact CB-O 3.35Å; M532-R546 PolarHBondContact N-O 2.99Å; M532-R546 PolarHBondContact O-N 2.88Å; R546-L548 HydrophobicContact CB-CG 4.49Å; R546-L548 HydrophobicContact CG-CD2 3.74Å; R546-L548 HydrophobicContact CG-CG 4.13Å; R546-L548 PolarHBondContact O-N 2.87Å; R546-M584 HydrophobicContact CB-CB 4.24Å; R546-M584 HydrophobicContact CB-CG 4.44Å; R546-M584 HydrophobicContact CB-SD 3.99Å; R546-M584 WeakPolarHBondContact CD-O 3.35Å; R546-M584 PolarHBondContact NH1-O 3.33Å; R546-Q586 VanDerWaalsContact CZ-CB 3.49Å
547L91.5Very high90.2Very high97 Ų9748.8 Ų48.851%0.50824%0.244SC..EExtended strand (participates in β ladder)trans-75.6114.6166.1-171.872.5000109.2E531 H549E531-L547 HydrophobicContact CG-CB 4.49Å; E531-L547 HydrophobicContact CG-CD1 3.66Å; L547-H549 WeakPolarHBondContact CD1-O 3.42Å
548L90Very high90.2Very high17 Ų1749 Ų499%0.08925%0.245CC..  trans-114-31.4179.1-67.3178.2000112.9G530 M532 R546 T567 T575 M584 Q586G530-L548 PolarHBondContact O-N 3.49Å; M532-L548 HydrophobicContact CB-CD1 4.12Å; M532-L548 HydrophobicContact CG-CB 4.29Å; M532-L548 HydrophobicContact CG-CD1 3.52Å; M532-L548 HydrophobicContact CG-CG 4.06Å; R546-L548 HydrophobicContact CB-CG 4.49Å; R546-L548 HydrophobicContact CG-CD2 3.74Å; R546-L548 HydrophobicContact CG-CG 4.13Å; R546-L548 PolarHBondContact O-N 2.87Å; L548-T567 HydrophobicContact CD1-CG2 4.12Å; L548-T575 HydrophobicContact CB-CG2 4.44Å; L548-M584 HydrophobicContact CD1-CE 3.41Å; L548-M584 VanDerWaalsContact CD1-CE 3.41Å; L548-M584 HydrophobicContact CD1-SD 3.97Å; L548-Q586 HydrophobicContact CD2-CB 3.99Å; L548-Q586 HydrophobicContact CD2-CG 4.21Å
549H90.2Very high90.3Very high0 Ų048 Ų480%023%0.234CC..  trans-117.3154.2-179-67.5-78.3000110.6G530 L547 K551 T553 T567 G569 D571 T573G530-H549 WeakPolarHBondContact CA-O 3.24Å; G530-H549 PolarHBondContact O-N 3.37Å; G530-H549 VanDerWaalsContact O-N 3.16Å; L547-H549 WeakPolarHBondContact CD1-O 3.42Å; H549-K551 WeakPolarHBondContact CB-O 3.46Å; H549-T553 PolarHBondContact CD2-OG1 2.8Å; H549-T553 VanDerWaalsContact CD2-OG1 3.31Å; H549-T567 WeakPolarHBondContact NE2-CB 3.32Å; H549-T567 PolarHBondContact NE2-O 2.98Å; H549-T567 PolarHBondContact NE2-OG1 3.5Å; H549-G569 PolarHBondContact CE1-N 3.18Å; H549-G569 VanDerWaalsContact CE1-N 3.32Å; H549-D571 WeakPolarHBondContact CA-OD2 3.42Å; H549-D571 WeakPolarHBondContact CB-OD2 3.28Å; H549-D571 IonicContact CE1-OD1 2.83Å; H549-D571 IonicContact CG-OD1 3.48Å; H549-D571 IonicContact CG-OD2 3.5Å; H549-D571 IonicContact ND1-OD1 2.61Å; H549-D571 PolarHBondContact ND1-OD1 3.03Å; H549-D571 IonicContact ND1-OD2 2.78Å; H549-D571 PolarHBondContact ND1-OD2 3.33Å; H549-T573 PolarHBondContact CE1-O 2.97Å; H549-T573 PolarHBondContact CE1-OG1 2.91Å; H549-T573 VanDerWaalsContact CE1-OG1 3.26Å; H549-T573 PolarHBondContact ND1-OG1 2.95Å
550N89.7Confident90.5Very high143 Ų14343.6 Ų43.677%0.76521%0.214SC*.SBendtrans-92.6-3.3175.4-67-34.4000112.9D571N550-D571 PolarHBondContact N-OD2 2.84Å
551K89.6Confident90.5Very high118 Ų11846.2 Ų46.251%0.51322%0.223SC..SBendtrans-142.2178178.9-66.4-178179.41770108.6L528 G530 H549 T553 L570 D571L528-K551 CarbonylContact O-C 3.47Å; G530-K551 WeakPolarHBondContact CA-O 3.37Å; G530-K551 PolarHBondContact N-O 2.8Å; H549-K551 WeakPolarHBondContact CB-O 3.46Å; K551-T553 PolarHBondContact O-N 3.25Å; K551-L570 HydrophobicContact CB-CB 4.17Å; K551-L570 HydrophobicContact CD-CB 4.42Å; K551-L570 VanDerWaalsContact CD-O 3.29Å; K551-L570 WeakPolarHBondContact CD-O 3.27Å; K551-D571 HydrophobicContact CB-CB 4.12Å; K551-D571 HydrophobicContact CD-CB 4.27Å; K551-D571 HydrophobicContact CG-CB 4.2Å
552C89.8Confident90.6Very high7 Ų741.6 Ų41.65%0.04721%0.205CC..  trans-45.3125.5179.6176.60000113.2T527 L528 Y554 G569 L570T527-C552 WeakPolarHBondContact O-CA 3.09Å; L528-C552 HydrophobicContact CD2-CB 4.25Å; L528-C552 VanDerWaalsContact CD2-SG 3.53Å; L528-C552 WeakPolarHBondContact O-CA 3.26Å; L528-C552 PolarHBondContact O-N 2.87Å; C552-Y554 PolarHBondContact O-N 3.5Å; C552-G569 WeakPolarHBondContact O-CA 3.23Å; C552-L570 HydrophobicContact CB-CD1 3.84Å; C552-L570 HydrophobicContact CB-CG 4.17Å; C552-L570 PolarHBondContact O-N 2.73Å
553T92Very high90.4Very high0 Ų042.1 Ų42.10%021%0.21CC..EExtended strand (participates in β ladder)trans-81.5104.3168-530000108.8S513 T527 G530 M532 H549 K551 L556S513-T553 PolarHBondContact OG-O 3.18Å; T527-T553 PolarHBondContact O-N 2.93Å; G530-T553 WeakPolarHBondContact CA-OG1 3.13Å; M532-T553 HydrophobicContact SD-CG2 3.65Å; H549-T553 PolarHBondContact CD2-OG1 2.8Å; H549-T553 VanDerWaalsContact CD2-OG1 3.31Å; K551-T553 PolarHBondContact O-N 3.25Å; T553-L556 HydrophobicContact CG2-CD2 3.74Å
554Y89.3Confident90.4Very high64 Ų6439.5 Ų39.525%0.25120%0.196SC..EExtended strand (participates in β ladder)trans-89-25.2-170.8-166.7-98.2000113.3C334 S513 C552 G568 L598C334-Y554 PolarHBondContact O-OH 3.12Å; S513-Y554 WeakPolarHBondContact CB-O 3.02Å; C552-Y554 PolarHBondContact O-N 3.5Å; Y554-G568 PolarHBondContact N-O 3.31Å; Y554-L598 HydrophobicContact CD1-CB 4.34Å; Y554-L598 HydrophobicContact CD1-CD2 3.99Å; Y554-L598 VanDerWaalsContact CD1-O 3.23Å; Y554-L598 WeakPolarHBondContact CD1-O 2.95Å; Y554-L598 HydrophobicContact CE1-CB 4.23Å; Y554-L598 HydrophobicContact CE1-CD2 3.93Å; Y554-L598 WeakPolarHBondContact CE1-O 3.45Å
555T93Very high90.6Very high12 Ų1239.1 Ų39.17%0.07419%0.193CC..EExtended strand (participates in β ladder)trans-144.8147.2-176.1-176.10000112.6T567 G568 V597 H599 L600T555-T567 WeakPolarHBondContact O-CA 3.46Å; T555-G568 PolarHBondContact N-O 2.87Å; T555-G568 PolarHBondContact O-N 3.36Å; T555-V597 HydrophobicContact CG2-CG1 3.87Å; T555-H599 WeakPolarHBondContact OG1-CA 3.27Å; T555-L600 HydrophobicContact CG2-CB 4.16Å; T555-L600 HydrophobicContact CG2-CD1 3.91Å; T555-L600 HydrophobicContact CG2-CG 3.71Å; T555-L600 PolarHBondContact OG1-N 3.49Å
556L94.5Very high90.8Very high16 Ų1636.1 Ų36.18%0.08418%0.177CC..EExtended strand (participates in β ladder)trans-138.6135.9-176.9-59.2175.5000109.5A524 M532 T553 L565 A566 T567A524-L556 HydrophobicContact CB-CD1 4.18Å; M532-L556 HydrophobicContact CE-CD1 3.78Å; M532-L556 HydrophobicContact CE-CD2 3.17Å; M532-L556 HydrophobicContact CE-CG 4.11Å; M532-L556 HydrophobicContact SD-CD2 3.6Å; M532-L556 VanDerWaalsContact SD-CD2 3.6Å; T553-L556 HydrophobicContact CG2-CD2 3.74Å; L556-L565 HydrophobicContact CB-CD1 4.44Å; L556-A566 WeakPolarHBondContact CA-O 3.41Å; L556-T567 HydrophobicContact CD2-CG2 3.51Å
557A93.8Very high91Very high9 Ų932 Ų327%0.07416%0.162CC..EExtended strand (participates in β ladder)trans-141.6123.7174.800000110.9A566 L600 F602A557-A566 PolarHBondContact N-O 3.43Å; A557-A566 PolarHBondContact O-N 3.39Å; A557-L600 HydrophobicContact CB-CB 3.91Å; A557-F602 HydrophobicContact CB-CD2 3.92Å; A557-F602 HydrophobicContact CB-CE2 4.35Å; A557-F602 WeakPolarHBondContact O-CE2 3.17Å
558Y92.9Very high91Very high6 Ų627.4 Ų27.42%0.02414%0.138CC..EExtended strand (participates in β ladder)trans-78.5138.5169-81.4-92.8000110.6F516 H518 S522 A524 D562 L565 L579 F602F516-Y558 VanDerWaalsContact O-CD2 3.29Å; F516-Y558 WeakPolarHBondContact O-CD2 3.14Å; H518-Y558 PolarHBondContact NE2-O 3.27Å; S522-Y558 PolarHBondContact OG-OH 2.99Å; A524-Y558 HydrophobicContact CB-CE2 3.65Å; A524-Y558 WeakPolarHBondContact CB-OH 3.49Å; Y558-D562 HydrophobicContact CD1-CB 4.33Å; Y558-L565 HydrophobicContact CD1-CD1 4.29Å; Y558-L565 HydrophobicContact CD2-CD1 3.72Å; Y558-L565 HydrophobicContact CE1-CD1 4.38Å; Y558-L565 HydrophobicContact CE2-CD1 3.77Å; Y558-L565 HydrophobicContact CG-CD1 3.99Å; Y558-L579 HydrophobicContact CD1-CD1 4.23Å; Y558-L579 HydrophobicContact CE1-CD1 3.33Å; Y558-F602 VanDerWaalsContact C-CD2 3.43Å; Y558-F602 VanDerWaalsContact O-CD2 3.26Å; Y558-F602 WeakPolarHBondContact O-CD2 3.44Å
559S91.8Very high91Very high0 Ų026.6 Ų26.60%013%0.133CC..  trans-60.2154.2164.467.60000110.3H518 E561 D562 S563 I564H518-S559 PolarHBondContact CD2-O 2.9Å; S559-E561 PolarHBondContact O-N 3.34Å; S559-D562 WeakPolarHBondContact O-CA 3.42Å; S559-D562 PolarHBondContact O-N 2.91Å; S559-D562 PolarHBondContact OG-N 2.59Å; S559-S563 PolarHBondContact OG-N 3.21Å; S559-I564 WeakPolarHBondContact CB-O 3.49Å; S559-I564 PolarHBondContact N-O 2.94Å; S559-I564 PolarHBondContact OG-N 3.48Å; S559-I564 VanDerWaalsContact OG-N 3.07Å; S559-I564 PolarHBondContact OG-O 3.17Å
560M89.8Confident91Very high34 Ų3427.3 Ų27.317%0.16714%0.137CC..THydrogen-bonded Turntrans-66.3-8.2-176.8-56.8-62-6600114.8R310 N606R310-M560 PolarHBondContact NH1-O 3.24Å; M560-N606 WeakPolarHBondContact CB-OD1 3.36Å; M560-N606 PolarHBondContact N-OD1 3.36Å
561E85.7Confident91Very high82 Ų8221.8 Ų21.838%0.38311%0.108SC..THydrogen-bonded Turntrans-105.42.5174.6-67.7169.4-175.200112.2P312 S559 S563P312-E561 VanDerWaalsContact CA-OE1 3.26Å; P312-E561 WeakPolarHBondContact CA-OE1 3.38Å; P312-E561 WeakPolarHBondContact CB-OE1 3.22Å; S559-E561 PolarHBondContact O-N 3.34Å; E561-S563 PolarHBondContact O-N 2.99Å
562D87.8Confident91Very high32 Ų3218.2 Ų18.217%0.1719%0.094CC..SBendtrans56.511.6-175-62.1-39.1000116H518 A519 Y558 S559H518-D562 IonicContact CD2-OD1 2.8Å; H518-D562 PolarHBondContact CD2-OD1 3Å; H518-D562 IonicContact CG-OD1 3.26Å; H518-D562 VanDerWaalsContact N-CG 3.33Å; H518-D562 PolarHBondContact N-OD1 3.04Å; H518-D562 PolarHBondContact N-OD2 3.26Å; H518-D562 VanDerWaalsContact N-OD2 3.09Å; A519-D562 WeakPolarHBondContact CB-OD2 3.29Å; A519-D562 PolarHBondContact N-OD2 3.38Å; Y558-D562 HydrophobicContact CD1-CB 4.33Å; S559-D562 WeakPolarHBondContact O-CA 3.42Å; S559-D562 PolarHBondContact O-N 2.91Å; S559-D562 PolarHBondContact OG-N 2.59Å
563S87.1Confident91.1Very high35 Ų3518.6 Ų18.625%0.24510%0.096CC..SBendtrans-75.5-36.5178.958.10000112.8S559 E561 N578 L579S559-S563 PolarHBondContact OG-N 3.21Å; E561-S563 PolarHBondContact O-N 2.99Å; S563-N578 WeakPolarHBondContact O-CA 3.48Å; S563-N578 PolarHBondContact O-OD1 3.4Å; S563-L579 PolarHBondContact O-N 2.79Å
564I90.4Very high91.2Very high1 Ų118.7 Ų18.71%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-119.8131.9-176.4-58.1-179.4000110.3L313 M319 S559 L576 S577 L587L313-I564 HydrophobicContact CB-CD1 3.78Å; L313-I564 HydrophobicContact CD1-CD1 4.03Å; L313-I564 HydrophobicContact CG-CD1 4.48Å; M319-I564 HydrophobicContact CE-CD1 3.5Å; M319-I564 HydrophobicContact CE-CG2 4.48Å; M319-I564 HydrophobicContact SD-CD1 3.78Å; S559-I564 WeakPolarHBondContact CB-O 3.49Å; S559-I564 PolarHBondContact N-O 2.94Å; S559-I564 PolarHBondContact OG-N 3.48Å; S559-I564 VanDerWaalsContact OG-N 3.07Å; S559-I564 PolarHBondContact OG-O 3.17Å; I564-L576 HydrophobicContact CG2-CB 4.14Å; I564-S577 CarbonylContact C-O 3.55Å; I564-S577 VanDerWaalsContact CA-O 3.27Å; I564-S577 WeakPolarHBondContact CA-O 3.1Å; I564-S577 WeakPolarHBondContact CG2-O 3.33Å; I564-L587 HydrophobicContact CD1-CD1 4.07Å; I564-L587 HydrophobicContact CG1-CD1 4.26Å
565L93Very high91.4Very high0 Ų015.7 Ų15.70%09%0.085CC..EExtended strand (participates in β ladder)trans-105.1122167.2-178.466.4000109.6A524 M532 L556 Y558 T567 S577 L579 M584A524-L565 HydrophobicContact CB-CD1 4.34Å; A524-L565 HydrophobicContact CB-CD2 3.72Å; M532-L565 HydrophobicContact CE-CD2 3.92Å; L556-L565 HydrophobicContact CB-CD1 4.44Å; Y558-L565 HydrophobicContact CD1-CD1 4.29Å; Y558-L565 HydrophobicContact CD2-CD1 3.72Å; Y558-L565 HydrophobicContact CE1-CD1 4.38Å; Y558-L565 HydrophobicContact CE2-CD1 3.77Å; Y558-L565 HydrophobicContact CG-CD1 3.99Å; L565-T567 HydrophobicContact CD2-CG2 4.26Å; L565-T567 HydrophobicContact CG-CG2 4.09Å; L565-S577 PolarHBondContact N-O 2.97Å; L565-S577 PolarHBondContact O-N 3Å; L565-S577 PolarHBondContact O-OG 2.94Å; L565-L579 HydrophobicContact CB-CD1 3.7Å; L565-L579 HydrophobicContact CB-CG 4.18Å; L565-L579 HydrophobicContact CD2-CD1 4.17Å; L565-L579 HydrophobicContact CG-CD1 4.48Å; L565-M584 HydrophobicContact CD2-CE 3.69Å; L565-M584 HydrophobicContact CG-CE 4.44Å
566A93.6Very high91.4Very high0 Ų015.2 Ų15.20%08%0.082CC..EExtended strand (participates in β ladder)trans-94.6132171.400000110L556 A557 T575 L576 L600 F602 L608L556-A566 WeakPolarHBondContact CA-O 3.41Å; A557-A566 PolarHBondContact N-O 3.43Å; A557-A566 PolarHBondContact O-N 3.39Å; A566-T575 WeakPolarHBondContact CA-O 3.26Å; A566-L576 HydrophobicContact CB-CD2 3.41Å; A566-L576 VanDerWaalsContact CB-CD2 3.41Å; A566-L600 HydrophobicContact CB-CD1 4.01Å; A566-F602 HydrophobicContact CB-CE2 3.61Å; A566-F602 HydrophobicContact CB-CZ 4Å; A566-L608 HydrophobicContact CB-CD1 4.03Å; A566-L608 HydrophobicContact CB-CD2 3.63Å
567T94.9Very high91.2Very high0 Ų014.4 Ų14.40%08%0.078CC..EExtended strand (participates in β ladder)trans-125.5137.1-179.570.10000110M532 L548 H549 T555 L556 L565 V574 T575 L600M532-T567 HydrophobicContact CE-CG2 3.95Å; M532-T567 HydrophobicContact CG-CG2 4.14Å; M532-T567 HydrophobicContact SD-CG2 3.94Å; L548-T567 HydrophobicContact CD1-CG2 4.12Å; H549-T567 WeakPolarHBondContact NE2-CB 3.32Å; H549-T567 PolarHBondContact NE2-O 2.98Å; H549-T567 PolarHBondContact NE2-OG1 3.5Å; T555-T567 WeakPolarHBondContact O-CA 3.46Å; L556-T567 HydrophobicContact CD2-CG2 3.51Å; L565-T567 HydrophobicContact CD2-CG2 4.26Å; L565-T567 HydrophobicContact CG-CG2 4.09Å; T567-V574 CarbonylContact O-C 3.53Å; T567-V574 VanDerWaalsContact O-CA 3.26Å; T567-V574 WeakPolarHBondContact O-CA 3.23Å; T567-T575 PolarHBondContact N-O 2.93Å; T567-T575 PolarHBondContact O-N 3.11Å; T567-T575 PolarHBondContact OG1-O 3.17Å; T567-T575 PolarHBondContact OG1-OG1 3.46Å; T567-L600 VanDerWaalsContact C-CD1 3.43Å
568G92.5Very high91Very high0 Ų015.3 Ų15.30%08%0.082CC..EExtended strand (participates in β ladder)trans-120127179.100000110.6Y554 T555Y554-G568 PolarHBondContact N-O 3.31Å; T555-G568 PolarHBondContact N-O 2.87Å; T555-G568 PolarHBondContact O-N 3.36Å
569G90.2Very high90.5Very high0 Ų016.9 Ų16.90%09%0.09CC..EExtended strand (participates in β ladder)trans-110.5162-177.600000113.7H549 C552 D571 T573 V597H549-G569 PolarHBondContact CE1-N 3.18Å; H549-G569 VanDerWaalsContact CE1-N 3.32Å; C552-G569 WeakPolarHBondContact O-CA 3.23Å; G569-D571 PolarHBondContact O-N 3.29Å; G569-T573 PolarHBondContact N-O 2.76Å; G569-V597 PolarHBondContact O-N 2.91Å
570L88.8Confident89.7Confident15 Ų1519.6 Ų19.68%0.07911%0.109CC..THydrogen-bonded Turntrans-74.74164.9-62.2-174.2000113.2K551 C552 D572 P596 L598 I621 V623K551-L570 HydrophobicContact CB-CB 4.17Å; K551-L570 HydrophobicContact CD-CB 4.42Å; K551-L570 VanDerWaalsContact CD-O 3.29Å; K551-L570 WeakPolarHBondContact CD-O 3.27Å; C552-L570 HydrophobicContact CB-CD1 3.84Å; C552-L570 HydrophobicContact CB-CG 4.17Å; C552-L570 PolarHBondContact O-N 2.73Å; L570-D572 VanDerWaalsContact C-N 3.27Å; L570-P596 HydrophobicContact CD2-CB 3.82Å; L570-L598 HydrophobicContact CD2-CD2 4.34Å; L570-I621 HydrophobicContact CD1-CG2 3.49Å; L570-I621 VanDerWaalsContact CD1-CG2 3.49Å; L570-I621 HydrophobicContact CD2-CD1 4.34Å; L570-I621 HydrophobicContact CD2-CG2 3.61Å; L570-I621 HydrophobicContact CG-CG2 4.21Å; L570-V623 HydrophobicContact CD1-CG2 3.5Å
571D89.5Confident88.5Confident27 Ų2727.5 Ų27.514%0.14415%0.146CC..THydrogen-bonded Turntrans-91.115.3172.765.3-3.1000113.1H549 N550 K551 G569 T573H549-D571 WeakPolarHBondContact CA-OD2 3.42Å; H549-D571 WeakPolarHBondContact CB-OD2 3.28Å; H549-D571 IonicContact CE1-OD1 2.83Å; H549-D571 IonicContact CG-OD1 3.48Å; H549-D571 IonicContact CG-OD2 3.5Å; H549-D571 IonicContact ND1-OD1 2.61Å; H549-D571 PolarHBondContact ND1-OD1 3.03Å; H549-D571 IonicContact ND1-OD2 2.78Å; H549-D571 PolarHBondContact ND1-OD2 3.33Å; N550-D571 PolarHBondContact N-OD2 2.84Å; K551-D571 HydrophobicContact CB-CB 4.12Å; K551-D571 HydrophobicContact CD-CB 4.27Å; K551-D571 HydrophobicContact CG-CB 4.2Å; G569-D571 PolarHBondContact O-N 3.29Å; D571-T573 VanDerWaalsContact C-N 3.27Å; D571-T573 VanDerWaalsContact CG-OG1 3.3Å; D571-T573 PolarHBondContact O-N 2.76Å; D571-T573 PolarHBondContact OD1-N 2.78Å; D571-T573 PolarHBondContact OD1-OG1 3.1Å; D571-T573 PolarHBondContact OD2-OG1 3.35Å
572D90.9Very high87.6Confident42 Ų4226.1 Ų26.123%0.22515%0.153CC..SBendtrans62.334.4178.2-43.5-42.9000112.8L570 K591 T592 S594 I595L570-D572 VanDerWaalsContact C-N 3.27Å; D572-K591 WeakPolarHBondContact O-CA 3.22Å; D572-T592 WeakPolarHBondContact CA-OG1 3.31Å; D572-T592 PolarHBondContact O-N 3.29Å; D572-T592 PolarHBondContact O-OG1 2.98Å; D572-S594 WeakPolarHBondContact OD2-CA 3.21Å; D572-I595 VanDerWaalsContact OD1-C 3.3Å
573T92.6Very high87Confident16 Ų1626.7 Ų26.710%0.09816%0.163CC..EExtended strand (participates in β ladder)trans-130.6147.5178.172.20000113.2H549 G569 D571 T589 F590 K591H549-T573 PolarHBondContact CE1-O 2.97Å; H549-T573 PolarHBondContact CE1-OG1 2.91Å; H549-T573 VanDerWaalsContact CE1-OG1 3.26Å; H549-T573 PolarHBondContact ND1-OG1 2.95Å; G569-T573 PolarHBondContact N-O 2.76Å; D571-T573 VanDerWaalsContact C-N 3.27Å; D571-T573 VanDerWaalsContact CG-OG1 3.3Å; D571-T573 PolarHBondContact O-N 2.76Å; D571-T573 PolarHBondContact OD1-N 2.78Å; D571-T573 PolarHBondContact OD1-OG1 3.1Å; D571-T573 PolarHBondContact OD2-OG1 3.35Å; T573-T589 HydrophobicContact CG2-CG2 4.09Å; T573-F590 CarbonylContact C-O 3.57Å; T573-F590 VanDerWaalsContact CA-O 3.26Å; T573-F590 WeakPolarHBondContact CA-O 3.31Å; T573-K591 HydrophobicContact CG2-CG 4.31Å
574V93.3Very high86.8Confident2 Ų225.5 Ų25.51%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-110.1124163-178.20000107.4I321 T567 L576 T589 F590 T592 V597 L600 L608I321-V574 HydrophobicContact CD1-CB 4.25Å; I321-V574 HydrophobicContact CD1-CG1 3.74Å; T567-V574 CarbonylContact O-C 3.53Å; T567-V574 VanDerWaalsContact O-CA 3.26Å; T567-V574 WeakPolarHBondContact O-CA 3.23Å; V574-L576 HydrophobicContact CG1-CD2 4.35Å; V574-T589 CarbonylContact O-C 3.47Å; V574-T589 WeakPolarHBondContact O-CA 3.44Å; V574-F590 HydrophobicContact CB-CB 4.47Å; V574-F590 PolarHBondContact N-O 3.3Å; V574-F590 PolarHBondContact O-N 2.94Å; V574-T592 HydrophobicContact CG2-CG2 4.13Å; V574-V597 HydrophobicContact CG2-CB 4.44Å; V574-V597 HydrophobicContact CG2-CG1 4.06Å; V574-V597 HydrophobicContact CG2-CG2 3.62Å; V574-L600 HydrophobicContact CG1-CD1 4.08Å; V574-L600 HydrophobicContact CG1-CD2 4.05Å; V574-L600 HydrophobicContact CG2-CD2 4.16Å; V574-L608 HydrophobicContact CG1-CD2 4.39Å
575T93.1Very high86.5Confident1 Ų128 Ų281%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-109139.117286.70000110.6L548 A566 T567 C588 T589L548-T575 HydrophobicContact CB-CG2 4.44Å; A566-T575 WeakPolarHBondContact CA-O 3.26Å; T567-T575 PolarHBondContact N-O 2.93Å; T567-T575 PolarHBondContact O-N 3.11Å; T567-T575 PolarHBondContact OG1-O 3.17Å; T567-T575 PolarHBondContact OG1-OG1 3.46Å; T575-C588 WeakPolarHBondContact CA-O 3.29Å; T575-T589 HydrophobicContact CG2-CG2 3.97Å
576L92.4Very high86.2Confident1 Ų131.7 Ų31.71%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-107.9134.5171.2-55.9-173.3000108.3M319 I321 I564 A566 V574 L587 C588 F590 L608M319-L576 HydrophobicContact CB-CD1 4.17Å; M319-L576 HydrophobicContact CE-CD1 3.48Å; M319-L576 VanDerWaalsContact CE-CD1 3.48Å; M319-L576 HydrophobicContact SD-CD1 3.63Å; I321-L576 HydrophobicContact CD1-CD1 4.23Å; I321-L576 HydrophobicContact CD1-CD2 4.28Å; I321-L576 HydrophobicContact CD1-CG 4.36Å; I564-L576 HydrophobicContact CG2-CB 4.14Å; A566-L576 HydrophobicContact CB-CD2 3.41Å; A566-L576 VanDerWaalsContact CB-CD2 3.41Å; V574-L576 HydrophobicContact CG1-CD2 4.35Å; L576-L587 PolarHBondContact O-N 3.4Å; L576-C588 PolarHBondContact N-O 3.42Å; L576-C588 PolarHBondContact O-N 3.39Å; L576-F590 HydrophobicContact CD1-CE2 3.85Å; L576-F590 HydrophobicContact CG-CE2 4.13Å; L576-L608 HydrophobicContact CD2-CD2 3.52Å
577S90.9Very high85.9Confident0 Ų034.3 Ų34.30%020%0.2CC..EExtended strand (participates in β ladder)trans-134.9140.5-17660.20000110.2I564 L565 M584 T585I564-S577 CarbonylContact C-O 3.55Å; I564-S577 VanDerWaalsContact CA-O 3.27Å; I564-S577 WeakPolarHBondContact CA-O 3.1Å; I564-S577 WeakPolarHBondContact CG2-O 3.33Å; L565-S577 PolarHBondContact N-O 2.97Å; L565-S577 PolarHBondContact O-N 3Å; L565-S577 PolarHBondContact O-OG 2.94Å; S577-M584 WeakPolarHBondContact OG-CE 3.43Å; S577-T585 CarbonylContact C-O 3.42Å; S577-T585 WeakPolarHBondContact CA-O 3.19Å
578N88.7Confident85.5Confident28 Ų2835.7 Ų35.715%0.1521%0.209CC..EExtended strand (participates in β ladder)trans-88.9133.3170.1177.817.8000108.9I315 S563 T585 L587I315-N578 WeakPolarHBondContact CD1-ND2 3.31Å; S563-N578 WeakPolarHBondContact O-CA 3.48Å; S563-N578 PolarHBondContact O-OD1 3.4Å; N578-T585 PolarHBondContact N-O 3.2Å; N578-T585 PolarHBondContact O-N 3.3Å; N578-L587 HydrophobicContact CB-CD1 4.07Å; N578-L587 HydrophobicContact CB-CD2 3.93Å; N578-L587 HydrophobicContact CB-CG 4.09Å
579L82.9Confident85.4Confident39 Ų3938.6 Ų38.620%0.20423%0.227CC..EExtended strand (participates in β ladder)trans-101.991.2174.7-69.8170.6000108.7C534 Y558 S563 L565 M584C534-L579 HydrophobicContact CB-CD2 4.44Å; Y558-L579 HydrophobicContact CD1-CD1 4.23Å; Y558-L579 HydrophobicContact CE1-CD1 3.33Å; S563-L579 PolarHBondContact O-N 2.79Å; L565-L579 HydrophobicContact CB-CD1 3.7Å; L565-L579 HydrophobicContact CB-CG 4.18Å; L565-L579 HydrophobicContact CD2-CD1 4.17Å; L565-L579 HydrophobicContact CG-CD1 4.48Å; L579-M584 HydrophobicContact CD2-CB 4.14Å; L579-M584 HydrophobicContact CD2-CE 4.38Å; L579-M584 HydrophobicContact CD2-CG 3.89Å; L579-M584 HydrophobicContact CD2-SD 4.37Å
580S75.5Confident85.5Confident57 Ų5741.6 Ų41.640%0.39924%0.24SC..EExtended strand (participates in β ladder)trans-95.3145.8165.553.20000109.5G582 A583S580-G582 PolarHBondContact O-N 2.6Å; S580-A583 PolarHBondContact N-O 2.72Å; S580-A583 PolarHBondContact O-N 2.82Å; S580-A583 PolarHBondContact OG-O 3.04Å; S580-A583 VanDerWaalsContact OG-O 3.12Å
581E64.4Low85.6Confident199 Ų19949.5 Ų49.593%0.9327%0.274SS*.THydrogen-bonded Turntrans-47111.5178.4-68.1-175.1169.800111.4
582G66.1Low85.5Confident53 Ų5348.8 Ų48.855%0.54627%0.271SS..THydrogen-bonded Turntrans94.1-6.717600000116.9L543 S580L543-G582 WeakPolarHBondContact O-CA 3.33Å; S580-G582 PolarHBondContact O-N 2.6Å
583A75.3Confident85.2Confident45 Ų4555.9 Ų55.937%0.37230%0.299SS..EExtended strand (participates in β ladder)trans-152129.6175.600000112.9S580S580-A583 PolarHBondContact N-O 2.72Å; S580-A583 PolarHBondContact O-N 2.82Å; S580-A583 PolarHBondContact OG-O 3.04Å; S580-A583 VanDerWaalsContact OG-O 3.12Å
584M82.8Confident84.9Confident9 Ų959.8 Ų59.84%0.04433%0.327CS..EExtended strand (participates in β ladder)trans-88.5113.2168.2-173177.6-161.800109M532 A544 R546 L548 L565 S577 L579M532-M584 HydrophobicContact CB-CE 3.99Å; M532-M584 HydrophobicContact CB-SD 3.78Å; M532-M584 HydrophobicContact CG-CE 4.22Å; A544-M584 HydrophobicContact CB-CB 3.84Å; R546-M584 HydrophobicContact CB-CB 4.24Å; R546-M584 HydrophobicContact CB-CG 4.44Å; R546-M584 HydrophobicContact CB-SD 3.99Å; R546-M584 WeakPolarHBondContact CD-O 3.35Å; R546-M584 PolarHBondContact NH1-O 3.33Å; L548-M584 HydrophobicContact CD1-CE 3.41Å; L548-M584 VanDerWaalsContact CD1-CE 3.41Å; L548-M584 HydrophobicContact CD1-SD 3.97Å; L565-M584 HydrophobicContact CD2-CE 3.69Å; L565-M584 HydrophobicContact CG-CE 4.44Å; S577-M584 WeakPolarHBondContact OG-CE 3.43Å; L579-M584 HydrophobicContact CD2-CB 4.14Å; L579-M584 HydrophobicContact CD2-CE 4.38Å; L579-M584 HydrophobicContact CD2-CG 3.89Å; L579-M584 HydrophobicContact CD2-SD 4.37Å
585T85.1Confident84.7Confident54 Ų5460.3 Ų60.333%0.33133%0.33SS..EExtended strand (participates in β ladder)trans-105.8114.5-178.654.70000110.6S577 N578 L587S577-T585 CarbonylContact C-O 3.42Å; S577-T585 WeakPolarHBondContact CA-O 3.19Å; N578-T585 PolarHBondContact N-O 3.2Å; N578-T585 PolarHBondContact O-N 3.3Å; T585-L587 PolarHBondContact O-N 2.99Å
586Q87Confident84.5Confident77 Ų7761 Ų6136%0.3633%0.334SS..EExtended strand (participates in β ladder)trans-66.6121.5174.4-176.4-173.5-17.700109.3R546 L548 T589R546-Q586 VanDerWaalsContact CZ-CB 3.49Å; L548-Q586 HydrophobicContact CD2-CB 3.99Å; L548-Q586 HydrophobicContact CD2-CG 4.21Å; Q586-T589 PolarHBondContact NE2-OG1 3.07Å
587L86.5Confident84.4Confident56 Ų5661 Ų6129%0.29333%0.334SS..EExtended strand (participates in β ladder)trans-88.3-51-179.8-60.1-178.6000110.9I315 I564 L576 N578 T585I315-L587 HydrophobicContact CG2-CD1 4.04Å; I315-L587 HydrophobicContact CG2-CD2 3.44Å; I315-L587 VanDerWaalsContact CG2-CD2 3.44Å; I315-L587 HydrophobicContact CG2-CG 4.33Å; I564-L587 HydrophobicContact CD1-CD1 4.07Å; I564-L587 HydrophobicContact CG1-CD1 4.26Å; L576-L587 PolarHBondContact O-N 3.4Å; N578-L587 HydrophobicContact CB-CD1 4.07Å; N578-L587 HydrophobicContact CB-CD2 3.93Å; N578-L587 HydrophobicContact CB-CG 4.09Å; T585-L587 PolarHBondContact O-N 2.99Å
588C87.1Confident84.4Confident29 Ų2961.3 Ų61.320%0.19634%0.336CS..EExtended strand (participates in β ladder)trans-157.2161-178.753.60000111.7T575 L576 F590T575-C588 WeakPolarHBondContact CA-O 3.29Å; L576-C588 PolarHBondContact N-O 3.42Å; L576-C588 PolarHBondContact O-N 3.39Å; C588-F590 HydrophobicContact CB-CE2 4.26Å; C588-F590 HydrophobicContact CB-CZ 4.49Å; C588-F590 WeakPolarHBondContact SG-CE2 3.42Å
589T91.2Very high84.6Confident60 Ų6061.4 Ų61.437%0.36834%0.336SS..EExtended strand (participates in β ladder)trans-132128.7176.4-61.90000109.3T573 V574 T575 Q586T573-T589 HydrophobicContact CG2-CG2 4.09Å; V574-T589 CarbonylContact O-C 3.47Å; V574-T589 WeakPolarHBondContact O-CA 3.44Å; T575-T589 HydrophobicContact CG2-CG2 3.97Å; Q586-T589 PolarHBondContact NE2-OG1 3.07Å
590F91.3Very high85.1Confident63 Ų6359.8 Ų59.828%0.27633%0.327SS..EExtended strand (participates in β ladder)trans-108.8133176.8-58.8-90.2000109.2M319 I321 T573 V574 L576 C588M319-F590 WeakPolarHBondContact O-CZ 3.18Å; I321-F590 HydrophobicContact CD1-CB 4.43Å; I321-F590 HydrophobicContact CD1-CD2 3.21Å; I321-F590 HydrophobicContact CD1-CE2 3.43Å; I321-F590 VanDerWaalsContact CD1-CE2 3.43Å; I321-F590 HydrophobicContact CD1-CG 3.85Å; I321-F590 HydrophobicContact CD1-CZ 4.23Å; I321-F590 HydrophobicContact CG1-CD2 4.09Å; I321-F590 HydrophobicContact CG1-CE2 3.94Å; I321-F590 HydrophobicContact CG1-CZ 4.29Å; T573-F590 CarbonylContact C-O 3.57Å; T573-F590 VanDerWaalsContact CA-O 3.26Å; T573-F590 WeakPolarHBondContact CA-O 3.31Å; V574-F590 HydrophobicContact CB-CB 4.47Å; V574-F590 PolarHBondContact N-O 3.3Å; V574-F590 PolarHBondContact O-N 2.94Å; L576-F590 HydrophobicContact CD1-CE2 3.85Å; L576-F590 HydrophobicContact CG-CE2 4.13Å; C588-F590 HydrophobicContact CB-CE2 4.26Å; C588-F590 HydrophobicContact CB-CZ 4.49Å; C588-F590 WeakPolarHBondContact SG-CE2 3.42Å
591K91.1Very high86Confident182 Ų18258.2 Ų58.279%0.79131%0.313SS*.EExtended strand (participates in β ladder)trans-93.3137.6174.6-65.1-173.7175.9-175.10110.3D572 T573D572-K591 WeakPolarHBondContact O-CA 3.22Å; T573-K591 HydrophobicContact CG2-CG 4.31Å
592T87.2Confident87.3Confident12 Ų1249.1 Ų49.17%0.07427%0.271CS..  trans-102.531.2-172.749.10000113.8F323 D572 V574 S594 I595 V597F323-T592 HydrophobicContact CD1-CG2 4.28Å; F323-T592 HydrophobicContact CD2-CG2 3.77Å; F323-T592 HydrophobicContact CE1-CG2 4.11Å; F323-T592 HydrophobicContact CE2-CG2 3.61Å; F323-T592 HydrophobicContact CG-CG2 4.11Å; F323-T592 HydrophobicContact CZ-CG2 3.76Å; D572-T592 WeakPolarHBondContact CA-OG1 3.31Å; D572-T592 PolarHBondContact O-N 3.29Å; D572-T592 PolarHBondContact O-OG1 2.98Å; V574-T592 HydrophobicContact CG2-CG2 4.13Å; T592-S594 PolarHBondContact O-N 3.08Å; T592-I595 WeakPolarHBondContact CB-O 3.39Å; T592-I595 WeakPolarHBondContact O-CB 3.4Å; T592-I595 PolarHBondContact O-N 3.03Å; T592-I595 PolarHBondContact OG1-O 2.76Å; T592-V597 HydrophobicContact CG2-CG2 3.85Å
593K85.3Confident88.5Confident190 Ų19047.4 Ų47.483%0.82625%0.25SC*.SBendtrans51.648.1179.5-61.2-177.3177.7178.10113.3I595K593-I595 VanDerWaalsContact C-N 3.3Å; K593-I595 PolarHBondContact O-N 3.02Å
594S85.7Confident89.2Confident99 Ų9945.9 Ų45.969%0.69224%0.235SC*.SBendtrans65.429.5179-56.80000114.8D572 T592D572-S594 WeakPolarHBondContact OD2-CA 3.21Å; T592-S594 PolarHBondContact O-N 3.08Å
595I88.3Confident89.3Confident13 Ų1351.7 Ų51.77%0.06726%0.256CS..  trans-113.5120.6175.6-60169000108.2F323 T325 D572 T592 K593 H614F323-I595 HydrophobicContact CE1-CB 4.17Å; F323-I595 HydrophobicContact CE1-CD1 4.45Å; F323-I595 HydrophobicContact CE1-CG2 3.94Å; F323-I595 HydrophobicContact CZ-CB 4.41Å; F323-I595 HydrophobicContact CZ-CG2 3.99Å; T325-I595 HydrophobicContact CG2-CD1 3.83Å; T325-I595 HydrophobicContact CG2-CG2 4.49Å; T325-I595 WeakPolarHBondContact OG1-CD1 3.43Å; D572-I595 VanDerWaalsContact OD1-C 3.3Å; T592-I595 WeakPolarHBondContact CB-O 3.39Å; T592-I595 WeakPolarHBondContact O-CB 3.4Å; T592-I595 PolarHBondContact O-N 3.03Å; T592-I595 PolarHBondContact OG1-O 2.76Å; K593-I595 VanDerWaalsContact C-N 3.3Å; K593-I595 PolarHBondContact O-N 3.02Å; I595-H614 HydrophobicContact CD1-CB 4.24Å; I595-H614 HydrophobicContact CG1-CB 4.28Å
596P89Confident89.4Confident15 Ų1549.7 Ų49.710%0.09724%0.243CC..  trans-65.3145.1178.725.5-32.8000110.9L570 G612 I621L570-P596 HydrophobicContact CD2-CB 3.82Å; P596-G612 WeakPolarHBondContact O-CA 3.4Å; P596-I621 HydrophobicContact CB-CD1 4.08Å; P596-I621 HydrophobicContact CG-CD1 3.48Å; P596-I621 VanDerWaalsContact CG-CD1 3.48Å
597V90.9Very high89.5Confident0 Ų048.9 Ų48.90%024%0.241CC..EExtended strand (participates in β ladder)trans-91113-179.2-173.30000108.9F323 T555 G569 V574 T592 L600F323-V597 HydrophobicContact CE2-CG1 4.3Å; F323-V597 HydrophobicContact CE2-CG2 3.99Å; F323-V597 HydrophobicContact CZ-CG2 4.47Å; T555-V597 HydrophobicContact CG2-CG1 3.87Å; G569-V597 PolarHBondContact O-N 2.91Å; V574-V597 HydrophobicContact CG2-CB 4.44Å; V574-V597 HydrophobicContact CG2-CG1 4.06Å; V574-V597 HydrophobicContact CG2-CG2 3.62Å; T592-V597 HydrophobicContact CG2-CG2 3.85Å; V597-L600 HydrophobicContact CG1-CD1 4.46Å; V597-L600 HydrophobicContact CG1-CD2 4.01Å; V597-L600 HydrophobicContact CG1-CG 3.96Å
598L90.2Very high89.7Confident8 Ų846.5 Ų46.54%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-100.5-24.5-174.4-61.8177.7000112.7F336 Y554 L570 F611 I621F336-L598 HydrophobicContact CD2-CB 3.81Å; F336-L598 HydrophobicContact CE2-CB 3.51Å; F336-L598 HydrophobicContact CE2-CD1 3.62Å; F336-L598 HydrophobicContact CE2-CG 4.2Å; F336-L598 HydrophobicContact CZ-CD1 4.29Å; Y554-L598 HydrophobicContact CD1-CB 4.34Å; Y554-L598 HydrophobicContact CD1-CD2 3.99Å; Y554-L598 VanDerWaalsContact CD1-O 3.23Å; Y554-L598 WeakPolarHBondContact CD1-O 2.95Å; Y554-L598 HydrophobicContact CE1-CB 4.23Å; Y554-L598 HydrophobicContact CE1-CD2 3.93Å; Y554-L598 WeakPolarHBondContact CE1-O 3.45Å; L570-L598 HydrophobicContact CD2-CD2 4.34Å; L598-F611 PolarHBondContact N-O 3.16Å; L598-I621 HydrophobicContact CD2-CD1 4.38Å
599H93.1Very high90Very high30 Ų3045.6 Ų45.614%0.13922%0.222CC..EExtended strand (participates in β ladder)trans-153.3142.1176.9-168.4-87.3000112F336 T555 G610 F611F336-H599 HydrophobicContact CB-CB 3.66Å; F336-H599 HydrophobicContact CD2-CB 4.2Å; F336-H599 HydrophobicContact CG-CB 4.09Å; F336-H599 PolarHBondContact O-CD2 3.38Å; T555-H599 WeakPolarHBondContact OG1-CA 3.27Å; H599-G610 CarbonylContact O-C 3.54Å; H599-G610 WeakPolarHBondContact O-CA 3.28Å; H599-F611 HydrophobicContact CB-CB 4.32Å; H599-F611 HydrophobicContact CB-CD2 4.42Å; H599-F611 PolarHBondContact N-O 3.31Å; H599-F611 PolarHBondContact O-N 3.03Å
600L94.3Very high90Very high5 Ų542.8 Ų42.83%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-125.8143173.2-71.8171.9000109.6T555 A557 A566 T567 V574 V597 L608 L609T555-L600 HydrophobicContact CG2-CB 4.16Å; T555-L600 HydrophobicContact CG2-CD1 3.91Å; T555-L600 HydrophobicContact CG2-CG 3.71Å; T555-L600 PolarHBondContact OG1-N 3.49Å; A557-L600 HydrophobicContact CB-CB 3.91Å; A566-L600 HydrophobicContact CB-CD1 4.01Å; T567-L600 VanDerWaalsContact C-CD1 3.43Å; V574-L600 HydrophobicContact CG1-CD1 4.08Å; V574-L600 HydrophobicContact CG1-CD2 4.05Å; V574-L600 HydrophobicContact CG2-CD2 4.16Å; V597-L600 HydrophobicContact CG1-CD1 4.46Å; V597-L600 HydrophobicContact CG1-CD2 4.01Å; V597-L600 HydrophobicContact CG1-CG 3.96Å; L600-L608 HydrophobicContact CB-CD1 4.27Å; L600-L608 HydrophobicContact CD2-CD1 4.15Å; L600-L608 HydrophobicContact CD2-CD2 4.47Å; L600-L608 HydrophobicContact CD2-CG 4.37Å; L600-L609 CarbonylContact C-O 3.59Å; L600-L609 WeakPolarHBondContact CA-O 3.23Å
601H93.8Very high90Very high24 Ų2439.9 Ų39.911%0.11119%0.192CC..EExtended strand (participates in β ladder)trans-147.8129.1176.6175.579.3000111.1I338 S342 L609I338-H601 HydrophobicContact CG2-CB 3.48Å; I338-H601 VanDerWaalsContact CG2-CB 3.48Å; I338-H601 VanDerWaalsContact CG2-ND1 3.31Å; I338-H601 WeakPolarHBondContact CG2-ND1 3.28Å; S342-H601 PolarHBondContact OG-CD2 3.2Å; S342-H601 PolarHBondContact OG-NE2 2.93Å; H601-L609 PolarHBondContact N-O 3.04Å; H601-L609 PolarHBondContact O-N 3.1Å
602F92.7Very high89.9Confident7 Ų731.2 Ų31.23%0.03115%0.154CC..EExtended strand (participates in β ladder)trans-86.9123.2166-80.6-79.8000109.4L313 A557 Y558 A566 L607 L608L313-F602 HydrophobicContact CD1-CD1 4.47Å; L313-F602 HydrophobicContact CD1-CE1 3.84Å; L313-F602 HydrophobicContact CD1-CZ 4.45Å; A557-F602 HydrophobicContact CB-CD2 3.92Å; A557-F602 HydrophobicContact CB-CE2 4.35Å; A557-F602 WeakPolarHBondContact O-CE2 3.17Å; Y558-F602 VanDerWaalsContact C-CD2 3.43Å; Y558-F602 VanDerWaalsContact O-CD2 3.26Å; Y558-F602 WeakPolarHBondContact O-CD2 3.44Å; A566-F602 HydrophobicContact CB-CE2 3.61Å; A566-F602 HydrophobicContact CB-CZ 4Å; F602-L607 WeakPolarHBondContact CA-O 3.42Å; F602-L608 HydrophobicContact CD1-CB 4.1Å; F602-L608 HydrophobicContact CD1-CD1 4.25Å; F602-L608 HydrophobicContact CD2-CD1 3.93Å; F602-L608 HydrophobicContact CE1-CB 3.78Å; F602-L608 HydrophobicContact CE1-CD1 4.16Å; F602-L608 HydrophobicContact CE1-CD2 4.46Å; F602-L608 HydrophobicContact CE1-CG 4.36Å; F602-L608 HydrophobicContact CE2-CD1 3.84Å; F602-L608 HydrophobicContact CG-CD1 4.15Å; F602-L608 HydrophobicContact CZ-CB 4.22Å; F602-L608 HydrophobicContact CZ-CD1 3.96Å; F602-L608 HydrophobicContact CZ-CD2 4.08Å; F602-L608 HydrophobicContact CZ-CG 4.33Å
603T91.5Very high89.7Confident18 Ų1832.1 Ų32.111%0.1116%0.156CC..  trans-67.1161.8169.375.70000110.1S342 R605 N606 L607 L609S342-T603 WeakPolarHBondContact OG-CB 3.45Å; S342-T603 VanDerWaalsContact OG-CG2 3.27Å; S342-T603 WeakPolarHBondContact OG-CG2 3.31Å; T603-R605 PolarHBondContact O-N 2.81Å; T603-R605 PolarHBondContact OG1-N 2.96Å; T603-N606 PolarHBondContact O-N 3.21Å; T603-L607 HydrophobicContact CG2-CB 3.95Å; T603-L607 WeakPolarHBondContact CG2-O 3.48Å; T603-L607 PolarHBondContact N-O 3.05Å; T603-L607 WeakPolarHBondContact OG1-CB 3.27Å; T603-L607 PolarHBondContact OG1-N 3.1Å; T603-L609 HydrophobicContact CG2-CD1 3.91Å; T603-L609 HydrophobicContact CG2-CD2 4.46Å; T603-L609 HydrophobicContact CG2-CG 3.95Å
604R88.8Confident89Confident13 Ų1329.1 Ų29.15%0.04915%0.145CC..THydrogen-bonded Turntrans-53.5-18.9175.2-64.7176.9175.4173.3-0.8114.7D306 R310 D340D306-R604 HydrophobicContact CB-CB 3.83Å; R310-R604 PolarHBondContact NE-O 3.36Å; R310-R604 PolarHBondContact NH2-O 2.94Å; D340-R604 IonicContact OD2-CZ 2.57Å; D340-R604 IonicContact OD2-NE 3.63Å; D340-R604 PolarHBondContact OD2-NE 3.31Å; D340-R604 IonicContact OD2-NH2 3.85Å; D340-R604 PolarHBondContact OD2-NH2 2.92Å
605R85.9Confident88Confident131 Ų13125.7 Ų25.749%0.49413%0.126SC..THydrogen-bonded Turntrans-102.118.6178-60.5-174.2-174.8163.56.4113.5D306 T603 L607D306-R605 HydrophobicContact CB-CG 4.29Å; D306-R605 IonicContact OD1-CZ 2.72Å; D306-R605 VanDerWaalsContact OD1-CZ 3.24Å; D306-R605 IonicContact OD1-NE 2.74Å; D306-R605 PolarHBondContact OD1-NE 2.64Å; D306-R605 IonicContact OD1-NH2 2.68Å; D306-R605 PolarHBondContact OD1-NH2 3.3Å; T603-R605 PolarHBondContact O-N 2.81Å; T603-R605 PolarHBondContact OG1-N 2.96Å; R605-L607 VanDerWaalsContact C-N 3.31Å; R605-L607 PolarHBondContact O-N 3.2Å
606N87Confident86.2Confident11 Ų1131.2 Ų31.26%0.05916%0.159CC..SBendtrans65.124.7179.8-69.3-22.5000115.1R310 K311 L313 M560 T603R310-N606 WeakPolarHBondContact CD-ND2 3.22Å; R310-N606 HydrophobicContact CG-CB 4.49Å; R310-N606 VanDerWaalsContact CG-ND2 3.34Å; R310-N606 WeakPolarHBondContact CG-ND2 3.31Å; K311-N606 PolarHBondContact O-ND2 3.03Å; L313-N606 HydrophobicContact CD1-CB 3.97Å; L313-N606 HydrophobicContact CD2-CB 3.82Å; L313-N606 HydrophobicContact CG-CB 3.7Å; M560-N606 WeakPolarHBondContact CB-OD1 3.36Å; M560-N606 PolarHBondContact N-OD1 3.36Å; T603-N606 PolarHBondContact O-N 3.21Å
607L88.9Confident84.1Confident61 Ų6134.1 Ų34.132%0.31918%0.178SC..PPolyproline II helixtrans-84.3126.7170.4-170.571.4000109.6Y322 F602 T603 R605 L609Y322-L607 HydrophobicContact CD2-CD1 3.44Å; Y322-L607 VanDerWaalsContact CD2-CD1 3.44Å; Y322-L607 HydrophobicContact CD2-CD2 3.75Å; Y322-L607 HydrophobicContact CD2-CG 3.8Å; Y322-L607 HydrophobicContact CE2-CD1 3.32Å; Y322-L607 HydrophobicContact CE2-CD2 3.98Å; Y322-L607 HydrophobicContact CE2-CG 4.09Å; F602-L607 WeakPolarHBondContact CA-O 3.42Å; T603-L607 HydrophobicContact CG2-CB 3.95Å; T603-L607 WeakPolarHBondContact CG2-O 3.48Å; T603-L607 PolarHBondContact N-O 3.05Å; T603-L607 WeakPolarHBondContact OG1-CB 3.27Å; T603-L607 PolarHBondContact OG1-N 3.1Å; R605-L607 VanDerWaalsContact C-N 3.31Å; R605-L607 PolarHBondContact O-N 3.2Å; L607-L609 HydrophobicContact CD2-CD2 3.72Å; L607-L609 HydrophobicContact CG-CD2 4.1Å
608L91.6Very high81.4Confident5 Ų537.5 Ų37.53%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-88.2119.7175.2-174.957.8000110.8I321 Y322 A566 V574 L576 L600 F602I321-L608 HydrophobicContact CD1-CD2 3.63Å; I321-L608 HydrophobicContact CG1-CB 4.39Å; I321-L608 HydrophobicContact CG1-CD2 3.89Å; I321-L608 HydrophobicContact CG1-CG 4.42Å; I321-L608 HydrophobicContact CG2-CB 4.34Å; I321-L608 HydrophobicContact CG2-CD2 4.19Å; I321-L608 HydrophobicContact CG2-CG 4.03Å; Y322-L608 PolarHBondContact N-O 2.95Å; A566-L608 HydrophobicContact CB-CD1 4.03Å; A566-L608 HydrophobicContact CB-CD2 3.63Å; V574-L608 HydrophobicContact CG1-CD2 4.39Å; L576-L608 HydrophobicContact CD2-CD2 3.52Å; L600-L608 HydrophobicContact CB-CD1 4.27Å; L600-L608 HydrophobicContact CD2-CD1 4.15Å; L600-L608 HydrophobicContact CD2-CD2 4.47Å; L600-L608 HydrophobicContact CD2-CG 4.37Å; F602-L608 HydrophobicContact CD1-CB 4.1Å; F602-L608 HydrophobicContact CD1-CD1 4.25Å; F602-L608 HydrophobicContact CD2-CD1 3.93Å; F602-L608 HydrophobicContact CE1-CB 3.78Å; F602-L608 HydrophobicContact CE1-CD1 4.16Å; F602-L608 HydrophobicContact CE1-CD2 4.46Å; F602-L608 HydrophobicContact CE1-CG 4.36Å; F602-L608 HydrophobicContact CE2-CD1 3.84Å; F602-L608 HydrophobicContact CG-CD1 4.15Å; F602-L608 HydrophobicContact CZ-CB 4.22Å; F602-L608 HydrophobicContact CZ-CD1 3.96Å; F602-L608 HydrophobicContact CZ-CD2 4.08Å; F602-L608 HydrophobicContact CZ-CG 4.33Å
609L92.2Very high78.8Confident11 Ų1143.3 Ų43.36%0.05824%0.237CC..EExtended strand (participates in β ladder)trans-102.2129.6171.1-51.8-173.5000108.8Y322 Y324 I338 L600 H601 T603 L607 F611Y322-L609 CarbonylContact O-C 3.59Å; Y322-L609 WeakPolarHBondContact O-CA 3.41Å; Y324-L609 HydrophobicContact CE2-CD2 4.01Å; I338-L609 HydrophobicContact CD1-CD1 3.96Å; L600-L609 CarbonylContact C-O 3.59Å; L600-L609 WeakPolarHBondContact CA-O 3.23Å; H601-L609 PolarHBondContact N-O 3.04Å; H601-L609 PolarHBondContact O-N 3.1Å; T603-L609 HydrophobicContact CG2-CD1 3.91Å; T603-L609 HydrophobicContact CG2-CD2 4.46Å; T603-L609 HydrophobicContact CG2-CG 3.95Å; L607-L609 HydrophobicContact CD2-CD2 3.72Å; L607-L609 HydrophobicContact CG-CD2 4.1Å; L609-F611 HydrophobicContact CB-CE2 3.93Å; L609-F611 HydrophobicContact CB-CZ 4.29Å
610G91.7Very high76.4Confident0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-118.3143.1171.200000111.3Y322 F323 Y324 H599Y322-G610 PolarHBondContact O-N 3.5Å; F323-G610 CarbonylContact C-O 3.51Å; F323-G610 WeakPolarHBondContact CA-O 3.46Å; Y324-G610 PolarHBondContact N-O 3.47Å; H599-G610 CarbonylContact O-C 3.54Å; H599-G610 WeakPolarHBondContact O-CA 3.28Å
611F91.7Very high73.7Confident3 Ų345.8 Ų45.81%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-124.5136.6178.8-60.4-88.5000110.1Y324 F336 I338 L345 L598 H599 L609Y324-F611 HydrophobicContact CD2-CD1 4.21Å; Y324-F611 AromaticContact CD2-CE1 3.59Å; Y324-F611 HydrophobicContact CD2-CE1 3.59Å; Y324-F611 AromaticContact CD2-CZ 3.9Å; Y324-F611 HydrophobicContact CD2-CZ 3.9Å; Y324-F611 HydrophobicContact CE2-CE1 4.48Å; Y324-F611 HydrophobicContact CE2-CZ 4.49Å; Y324-F611 HydrophobicContact CG-CD1 4.39Å; Y324-F611 HydrophobicContact CG-CE1 4.01Å; Y324-F611 WeakPolarHBondContact O-CA 3.32Å; F336-F611 HydrophobicContact CD1-CB 4Å; F336-F611 HydrophobicContact CD1-CG 4.41Å; F336-F611 HydrophobicContact CE1-CB 4.05Å; F336-F611 HydrophobicContact CG-CB 4.38Å; I338-F611 HydrophobicContact CD1-CE2 4.19Å; I338-F611 HydrophobicContact CD1-CZ 4.18Å; L345-F611 HydrophobicContact CD1-CD1 4.38Å; L345-F611 HydrophobicContact CD1-CD2 4.44Å; L345-F611 HydrophobicContact CD1-CE1 4.11Å; L345-F611 HydrophobicContact CD1-CE2 4.16Å; L345-F611 HydrophobicContact CD1-CZ 3.99Å; L345-F611 HydrophobicContact CD2-CD1 3.94Å; L345-F611 HydrophobicContact CD2-CE1 3.61Å; L345-F611 HydrophobicContact CD2-CZ 4.23Å; L345-F611 HydrophobicContact CG-CE1 4.49Å; L598-F611 PolarHBondContact N-O 3.16Å; H599-F611 HydrophobicContact CB-CB 4.32Å; H599-F611 HydrophobicContact CB-CD2 4.42Å; H599-F611 PolarHBondContact N-O 3.31Å; H599-F611 PolarHBondContact O-N 3.03Å; L609-F611 HydrophobicContact CB-CE2 3.93Å; L609-F611 HydrophobicContact CB-CZ 4.29Å
612G87.8Confident70.9Confident0 Ų048.2 Ų48.20%027%0.267CS..EExtended strand (participates in β ladder)trans-145.8174.3173.700000111.8Y324 T325 I326 P596Y324-G612 PolarHBondContact O-N 2.93Å; T325-G612 WeakPolarHBondContact CA-O 3.45Å; I326-G612 PolarHBondContact N-O 3.14Å; I326-G612 VanDerWaalsContact N-O 3.16Å; P596-G612 WeakPolarHBondContact O-CA 3.4Å
613Y83Confident68.1Low30 Ų3051.4 Ų51.412%0.11829%0.287CS..EExtended strand (participates in β ladder)trans-131.1129.3-178.4175.3-117.6000111.5I326 D328 S332 P333 G615I326-Y613 WeakPolarHBondContact O-CD2 3.28Å; D328-Y613 PolarHBondContact O-OH 3.46Å; S332-Y613 WeakPolarHBondContact OG-CE1 3.32Å; S332-Y613 PolarHBondContact OG-OH 2.99Å; P333-Y613 VanDerWaalsContact CD-CE2 3.45Å; P333-Y613 HydrophobicContact CG-CD1 4.16Å; P333-Y613 HydrophobicContact CG-CD2 3.51Å; P333-Y613 HydrophobicContact CG-CE2 4.25Å; P333-Y613 HydrophobicContact CG-CG 3.45Å; P333-Y613 VanDerWaalsContact CG-CG 3.45Å; Y613-G615 PolarHBondContact O-N 3.38Å
614H72.1Confident65.4Low127 Ų12753.3 Ų53.359%0.58829%0.292SS*.  trans-96.787.1177-175.3-64.4000109.3T325 L327 I595T325-H614 HydrophobicContact CG2-CB 3.77Å; L327-H614 HydrophobicContact CD2-CB 4.45Å; I595-H614 HydrophobicContact CD1-CB 4.24Å; I595-H614 HydrophobicContact CG1-CB 4.28Å
615G64.4Low62.5Low28 Ų2855.5 Ų55.529%0.28931%0.313SS..SBendtrans-155158.617300000110.3Y613 P617Y613-G615 PolarHBondContact O-N 3.38Å; G615-P617 WeakPolarHBondContact O-CD 3.07Å
616V49.7Very low59.7Low128 Ų12853.8 Ų53.878%0.77633%0.327SS*.  trans-59.4111.7179.9-176.30000108.2A618V616-A618 HydrophobicContact CG1-CB 3.97Å; V616-A618 PolarHBondContact O-N 3.12Å
617P44.2Very low57Low77 Ų7765.2 Ų65.250%0.539%0.386SS..  trans-85.564.917834.8-27000107.1G615 I621G615-P617 WeakPolarHBondContact O-CD 3.07Å; P617-I621 HydrophobicContact CB-CB 4.07Å; P617-I621 HydrophobicContact CB-CD1 3.51Å; P617-I621 HydrophobicContact CB-CG1 3.72Å; P617-I621 HydrophobicContact CG-CD1 4.37Å
618A34.5Very low55.4Low70 Ų7065.4 Ų65.458%0.57939%0.39SS*.SBendtrans-80.1-40.817500000110.3V616V616-A618 HydrophobicContact CG1-CB 3.97Å; V616-A618 PolarHBondContact O-N 3.12Å
619D35.9Very low53.5Low131 Ų13168.6 Ų68.670%0.70141%0.409SS*.SBendtrans-129.1-5.9-171-60.5-40.7000114.8V622D619-V622 WeakPolarHBondContact O-CG2 3.42Å
620I42.2Very low51.3Low45 Ų4571.8 Ų71.823%0.23143%0.428CS..SBendtrans-108.4-29.4-163.5-54.2-178.9000112.1S332 C334 V622S332-I620 WeakPolarHBondContact OG-CD1 3.35Å; C334-I620 VanDerWaalsContact SG-CG2 3.53Å; I620-V622 VanDerWaalsContact C-N 3.27Å; I620-V622 PolarHBondContact O-N 3.39Å
621I39Very low49Very low41 Ų4176 Ų7621%0.2145%0.454CS..SBendtrans-95.767.2164.4-48.7-179000106.1L570 P596 L598 P617 V623L570-I621 HydrophobicContact CD1-CG2 3.49Å; L570-I621 VanDerWaalsContact CD1-CG2 3.49Å; L570-I621 HydrophobicContact CD2-CD1 4.34Å; L570-I621 HydrophobicContact CD2-CG2 3.61Å; L570-I621 HydrophobicContact CG-CG2 4.21Å; P596-I621 HydrophobicContact CB-CD1 4.08Å; P596-I621 HydrophobicContact CG-CD1 3.48Å; P596-I621 VanDerWaalsContact CG-CD1 3.48Å; L598-I621 HydrophobicContact CD2-CD1 4.38Å; P617-I621 HydrophobicContact CB-CB 4.07Å; P617-I621 HydrophobicContact CB-CD1 3.51Å; P617-I621 HydrophobicContact CB-CG1 3.72Å; P617-I621 HydrophobicContact CG-CD1 4.37Å; I621-V623 PolarHBondContact O-N 3.35Å
622V35.2Very low46.3Very low76 Ų7680.6 Ų80.646%0.46148%0.481SS..  trans-67.298.1166.1-166.30000104.6D619 I620 R624D619-V622 WeakPolarHBondContact O-CG2 3.42Å; I620-V622 VanDerWaalsContact C-N 3.27Å; I620-V622 PolarHBondContact O-N 3.39Å; V622-R624 HydrophobicContact CB-CG 3.65Å; V622-R624 HydrophobicContact CG1-CB 4.23Å; V622-R624 HydrophobicContact CG1-CG 3.37Å; V622-R624 PolarHBondContact O-N 2.71Å
623V33.5Very low43.5Very low73 Ų7385.9 Ų85.944%0.44251%0.513SS..  trans-50.289.4142.7175.30000103.7L570 I621 A625L570-V623 HydrophobicContact CD1-CG2 3.5Å; I621-V623 PolarHBondContact O-N 3.35Å; V623-A625 HydrophobicContact CG1-CB 4.09Å; V623-A625 PolarHBondContact O-N 3.48Å
624R35.1Very low40.7Very low58 Ų5889.9 Ų89.922%0.21954%0.542CS..  trans-7662.8178.1-73.8-171.8-178.1130.30.3107.5Y386 V622Y386-R624 VanDerWaalsContact CE2-NH2 3.34Å; Y386-R624 PolarHBondContact OH-NH2 3.37Å; Y386-R624 VanDerWaalsContact OH-NH2 3.1Å; V622-R624 HydrophobicContact CB-CG 3.65Å; V622-R624 HydrophobicContact CG1-CB 4.23Å; V622-R624 HydrophobicContact CG1-CG 3.37Å; V622-R624 PolarHBondContact O-N 2.71Å
625A26.8Very low38.3Very low59 Ų5987.1 Ų87.149%0.48854%0.538SS..  trans-96.1108.2159.800000105.4L528 V623L528-A625 HydrophobicContact CD1-CB 4.27Å; V623-A625 HydrophobicContact CG1-CB 4.09Å; V623-A625 PolarHBondContact O-N 3.48Å
626A27.7Very low36.1Very low95 Ų9592 Ų9279%0.78556%0.559SS**  trans60.698.1166.100000117.3
627L29.9Very low34.9Very low251 Ų25188.7 Ų88.7100%1.31454%0.539SS*.  -96.20121.9-91.5168.1000108.1

Retrieved 627 of 627 residues in 395.2 ms (Link to these results)

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