A0A096NW43_PAPAN Loading...

Beta-2-syntrophin

Adapter protein that binds to and probably organizes the subcellular localization of a variety of membrane proteins. May link various receptors to the actin cytoskeleton and the dystrophin glycoprotein complex. May play a role in the regulation of secretory granules via its interaction with PTPRN.

AlphaFold DB , UniProt , Accession A0A096NW43, Species PAPAN (Papio anubis, Olive baboon), Gene SNTB2, Length 537 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
1M32.8Very low29.1Very low237 Ų237126.5 Ų126.5100%1.16785%0.846SS**  0118.80-108.2168.9169.300108V3M1-V3 PolarHBondContact O-N 3.48Å
2R28.2Very low29.3Very low259 Ų259124.4 Ų124.498%0.97785%0.845SS**  trans-70.5117.2176.2-77.7177.6170.9171.3-3.3108.4
3V28.9Very low29.8Very low135 Ų135126.2 Ų126.282%0.81884%0.836SS**  trans-107.4123.4171.1-177.10000107.6M1M1-V3 PolarHBondContact O-N 3.48Å
4A25.4Very low30.6Very low90 Ų90122.1 Ų122.174%0.74482%0.816SS**  trans-63141.3-177.800000111.5A6A4-A6 PolarHBondContact O-N 3.01Å; A4-A6 VanDerWaalsContact O-N 3.14Å
5A26.7Very low31.5Very low106 Ų106122.7 Ų122.788%0.87682%0.815SS**  trans-64.7107.8172.400000109.8A7A5-A7 PolarHBondContact O-N 3.24Å
6A26.9Very low32.9Very low99 Ų99120.2 Ų120.282%0.81878%0.784SS**  trans-77106.8163.400000107.6A4 G8A4-A6 PolarHBondContact O-N 3.01Å; A4-A6 VanDerWaalsContact O-N 3.14Å; A6-G8 PolarHBondContact O-N 2.93Å
7A27.8Very low34.7Very low99 Ų99119.8 Ų119.882%0.81878%0.779SS**  trans-55.4122.9167.800000108.7A5 A9A5-A7 PolarHBondContact O-N 3.24Å; A7-A9 PolarHBondContact O-N 2.76Å
8G26Very low37.3Very low79 Ų79119.7 Ų119.781%0.81476%0.76SS**  trans-59110.1179.500000110.5A6 G10A6-G8 PolarHBondContact O-N 2.93Å; G8-G10 PolarHBondContact O-N 2.89Å
9A28.9Very low39.9Very low100 Ų100114.9 Ų114.983%0.82673%0.732SS**PPolyproline II helixtrans-60119.2163.900000107.8A7A7-A9 PolarHBondContact O-N 2.76Å
10G32.8Very low42.5Very low58 Ų58115.2 Ų115.260%0.59873%0.732SS**PPolyproline II helixtrans-55.4158.217100000111G8 A12G8-G10 PolarHBondContact O-N 2.89Å; G10-A12 PolarHBondContact O-N 2.85Å; G10-A12 VanDerWaalsContact O-N 3.11Å
11P35.3Very low44.9Very low130 Ų130112.5 Ų112.584%0.84471%0.71SS**PPolyproline II helixtrans-58.2123.1-177.525.3-32.1000109.1M13P11-M13 PolarHBondContact O-N 2.81Å
12A31.6Very low47.9Very low101 Ų101104.6 Ų104.684%0.83568%0.683SS**  trans-55.7112172.800000108.3G10 A14G10-A12 PolarHBondContact O-N 2.85Å; G10-A12 VanDerWaalsContact O-N 3.11Å; A12-A14 PolarHBondContact O-N 3.32Å
13M36.7Very low51Low148 Ų14893.5 Ų93.573%0.72965%0.649SS**  trans-59.7112.6173.7-83.8-124.5-113.200108P11 V15 P301P11-M13 PolarHBondContact O-N 2.81Å; M13-V15 PolarHBondContact O-N 3.18Å; M13-V15 VanDerWaalsContact O-N 3.13Å; M13-P301 HydrophobicContact CE-CB 4.35Å; M13-P301 HydrophobicContact SD-CB 4.06Å; M13-P301 HydrophobicContact SD-CG 4.21Å
14A41.1Very low54.1Low68 Ų6891.7 Ų91.756%0.56263%0.634SS**  trans-56.6120.316700000107.7A12 W16A12-A14 PolarHBondContact O-N 3.32Å; A14-W16 VanDerWaalsContact C-N 3.34Å; A14-W16 PolarHBondContact O-N 3.4Å
15V43.4Very low57.5Low131 Ų13187.7 Ų87.779%0.79460%0.6SS**  trans-68.598.2172.1177.60000106.5M13 T17M13-V15 PolarHBondContact O-N 3.18Å; M13-V15 VanDerWaalsContact O-N 3.13Å; V15-T17 PolarHBondContact O-N 2.91Å
16W54.5Low60.7Low83 Ų8385.2 Ų85.231%0.31457%0.57SS.*  trans-68.4104.1171.9-62.889000107.6A14 R18 T294 M297 A298 R420A14-W16 VanDerWaalsContact C-N 3.34Å; A14-W16 PolarHBondContact O-N 3.4Å; W16-R18 PolarHBondContact O-N 3.42Å; W16-R18 VanDerWaalsContact O-N 3.13Å; W16-T294 HydrophobicContact CE3-CG2 4.06Å; W16-M297 HydrophobicContact CH2-CB 4.29Å; W16-M297 HydrophobicContact CZ3-CB 4.23Å; W16-A298 HydrophobicContact CB-CB 3.53Å; W16-A298 HydrophobicContact CG-CB 4.19Å; W16-R420 VanDerWaalsContact CH2-NH1 3.27Å
17T63.7Low63.9Low114 Ų11480.5 Ų80.570%0.69953%0.532SS*.  trans-66.5112.6172.746.10000108V15 A19V15-T17 PolarHBondContact O-N 2.91Å; T17-A19 PolarHBondContact O-N 2.95Å
18R81.2Confident66.9Low118 Ų11877.3 Ų77.345%0.44550%0.501SS..  trans-59.9121.5177.4-70.9173.6176.3-165.9-6.2108.9W16 E43W16-R18 PolarHBondContact O-N 3.42Å; W16-R18 VanDerWaalsContact O-N 3.13Å; R18-E43 IonicContact CZ-OE1 3.75Å; R18-E43 IonicContact NH1-OE1 3.88Å; R18-E43 PolarHBondContact NH1-OE1 2.8Å; R18-E43 IonicContact NH2-OE1 2.72Å; R18-E43 PolarHBondContact NH2-OE1 3.03Å
19A85.8Confident69.7Low28 Ų2874.5 Ų74.523%0.23147%0.467CS..  trans-73.5137.1177.400000109.8T17 L40 A291 N295T17-A19 PolarHBondContact O-N 2.95Å; A19-L40 HydrophobicContact CB-CD2 4.37Å; A19-A291 HydrophobicContact CB-CB 3.96Å; A19-N295 PolarHBondContact N-OD1 2.81Å; A19-N295 PolarHBondContact O-ND2 3.06Å
20T91.7Very high72.2Confident120 Ų12079 Ų7974%0.73646%0.462SS*.  trans-113.8136.1165.955.40000108.2L40T20-L40 WeakPolarHBondContact CA-O 3.19Å
21K94.3Very high74.6Confident59 Ų5984.1 Ų84.126%0.25747%0.471SS..EExtended strand (participates in β ladder)trans-155.5135.2-177-166.7176.9173.689.40109.6E39 L40 S287 W288 A291K21-E39 CarbonylContact O-C 3.54Å; K21-L40 HydrophobicContact CB-CB 4.23Å; K21-L40 HydrophobicContact CB-CD2 4.43Å; K21-L40 PolarHBondContact N-O 3.35Å; K21-L40 WeakPolarHBondContact O-CB 3.21Å; K21-L40 PolarHBondContact O-N 2.87Å; K21-S287 PolarHBondContact NZ-OG 2.91Å; K21-W288 HydrophobicContact CB-CE3 4.48Å; K21-W288 HydrophobicContact CB-CH2 4.08Å; K21-W288 HydrophobicContact CB-CZ3 3.95Å; K21-W288 HydrophobicContact CD-CD2 3.6Å; K21-W288 HydrophobicContact CD-CE3 3.64Å; K21-W288 HydrophobicContact CD-CG 4.16Å; K21-W288 HydrophobicContact CD-CH2 4.12Å; K21-W288 HydrophobicContact CD-CZ2 4.1Å; K21-W288 HydrophobicContact CD-CZ3 3.9Å; K21-W288 HydrophobicContact CG-CD2 4.34Å; K21-W288 HydrophobicContact CG-CE3 4.19Å; K21-W288 HydrophobicContact CG-CH2 3.78Å; K21-W288 HydrophobicContact CG-CZ2 3.94Å; K21-W288 HydrophobicContact CG-CZ3 3.92Å; K21-A291 HydrophobicContact CD-CB 4.14Å
22A95.1Very high77Confident72 Ų7287.2 Ų87.260%0.59547%0.466SS*.EExtended strand (participates in β ladder)trans-131145.9173.200000109.9A38 E39A22-A38 CarbonylContact C-O 3.47Å; A22-A38 WeakPolarHBondContact CA-O 3.4Å; A22-E39 HydrophobicContact CB-CG 4.09Å
23G93.7Very high79.7Confident26 Ų2686.3 Ų86.327%0.26844%0.441SS..EExtended strand (participates in β ladder)trans171.8171.7177.500000113.7A38G23-A38 PolarHBondContact N-O 2.8Å; G23-A38 PolarHBondContact O-N 2.79Å
24L94.5Very high82.2Confident97 Ų9780.8 Ų80.851%0.50842%0.415SS..EExtended strand (participates in β ladder)trans-81.2132.4177.2-71.1166.5000110.7V37L24-V37 HydrophobicContact CD2-CG2 3.75Å
25V95.6Very high84.6Confident5 Ų583 Ų833%0.0341%0.409CS..EExtended strand (participates in β ladder)trans-137.9163.8171.6-60.80000109.1V36 A38 L277 W288V25-V36 HydrophobicContact CG2-CG2 3.62Å; V25-V36 PolarHBondContact N-O 3.2Å; V25-V36 PolarHBondContact O-N 3.49Å; V25-A38 HydrophobicContact CG1-CB 4.45Å; V25-A38 HydrophobicContact CG2-CB 3.68Å; V25-L277 HydrophobicContact CG2-CD2 4.17Å; V25-W288 HydrophobicContact CG1-CZ2 4.37Å
26E94.9Very high87Confident55 Ų5576.8 Ų76.826%0.25737%0.371SS..EExtended strand (participates in β ladder)trans-103.5129.4172.2-65.7174.1113.100109.4W33 V34 R35 L277 R278E26-W33 HydrophobicContact CB-CB 4.43Å; E26-W33 HydrophobicContact CB-CE3 3.9Å; E26-V34 CarbonylContact C-O 3.49Å; E26-V34 WeakPolarHBondContact CA-O 3.44Å; E26-R35 HydrophobicContact CG-CG 4.08Å; E26-L277 CarbonylContact O-C 3.56Å; E26-L277 WeakPolarHBondContact O-CA 3.47Å; E26-R278 HydrophobicContact CB-CB 4.2Å; E26-R278 PolarHBondContact N-O 2.75Å; E26-R278 PolarHBondContact O-N 2.99Å; E26-R278 IonicContact OE1-CZ 2.83Å; E26-R278 IonicContact OE1-NH2 3.39Å; E26-R278 PolarHBondContact OE1-NH2 3.41Å; E26-R278 IonicContact OE2-CZ 3.58Å; E26-R278 IonicContact OE2-NE 3.83Å; E26-R278 PolarHBondContact OE2-NE 2.58Å; E26-R278 IonicContact OE2-NH2 3.37Å; E26-R278 PolarHBondContact OE2-NH2 3.28Å
27L93.8Very high88.9Confident0 Ų075.1 Ų75.10%037%0.37CS..EExtended strand (participates in β ladder)trans-102.9130.5178.2176.767.1000109.1L29 V34 V36 L47 L275 L277L27-L29 HydrophobicContact CD2-CD1 3.88Å; L27-L29 HydrophobicContact CD2-CD2 3.73Å; L27-L29 HydrophobicContact CD2-CG 3.77Å; L27-L29 HydrophobicContact CG-CD1 4.43Å; L27-L29 HydrophobicContact CG-CD2 4.02Å; L27-L29 HydrophobicContact CG-CG 3.87Å; L27-L29 PolarHBondContact O-N 2.8Å; L27-V34 PolarHBondContact N-O 2.89Å; L27-V34 PolarHBondContact O-N 2.9Å; L27-V36 HydrophobicContact CB-CG1 4.09Å; L27-V36 HydrophobicContact CB-CG2 3.91Å; L27-V36 HydrophobicContact CD2-CG1 4.33Å; L27-L47 HydrophobicContact CD1-CD1 4.17Å; L27-L47 HydrophobicContact CD2-CD1 4Å; L27-L275 HydrophobicContact CD1-CD2 3.79Å; L27-L277 HydrophobicContact CB-CD2 4.39Å; L27-L277 HydrophobicContact CD1-CD2 3.65Å
28L90.6Very high90.5Very high32 Ų3269.7 Ų69.717%0.16834%0.337CS..EExtended strand (participates in β ladder)trans-77.3116.8171.3-172.367.6000110.2W33 M256 I276L28-W33 HydrophobicContact CB-CE3 4.09Å; L28-W33 HydrophobicContact CB-CH2 4.01Å; L28-W33 HydrophobicContact CB-CZ2 4.48Å; L28-W33 HydrophobicContact CB-CZ3 3.78Å; L28-W33 HydrophobicContact CD1-CD2 4.12Å; L28-W33 HydrophobicContact CD1-CE3 4.48Å; L28-W33 HydrophobicContact CD1-CZ2 4.19Å; L28-M256 HydrophobicContact CD2-CE 3.35Å; L28-I276 HydrophobicContact CB-CB 4.1Å; L28-I276 HydrophobicContact CD2-CD1 4.3Å; L28-I276 PolarHBondContact N-O 3.17Å
29L84.9Confident91.2Very high20 Ų2068 Ų6811%0.10533%0.334CS..EExtended strand (participates in β ladder)trans-130.1120.3175.9-66.9178000109.8L27 E31 R32 V34 L206 V207 L210L27-L29 HydrophobicContact CD2-CD1 3.88Å; L27-L29 HydrophobicContact CD2-CD2 3.73Å; L27-L29 HydrophobicContact CD2-CG 3.77Å; L27-L29 HydrophobicContact CG-CD1 4.43Å; L27-L29 HydrophobicContact CG-CD2 4.02Å; L27-L29 HydrophobicContact CG-CG 3.87Å; L27-L29 PolarHBondContact O-N 2.8Å; L29-E31 VanDerWaalsContact C-N 3.29Å; L29-E31 PolarHBondContact O-N 2.86Å; L29-R32 PolarHBondContact N-O 2.89Å; L29-R32 PolarHBondContact O-N 2.86Å; L29-V34 HydrophobicContact CB-CG2 4.37Å; L29-V34 HydrophobicContact CD1-CB 4.37Å; L29-V34 HydrophobicContact CD1-CG2 4.19Å; L29-L206 HydrophobicContact CD1-CB 3.8Å; L29-L206 WeakPolarHBondContact CD1-O 3.27Å; L29-V207 HydrophobicContact CD1-CG2 4.42Å; L29-L210 HydrophobicContact CD2-CD1 3.48Å; L29-L210 VanDerWaalsContact CD2-CD1 3.48Å
30R81.5Confident91.7Very high194 Ų19467 Ų6773%0.73233%0.325SS*.THydrogen-bonded Turntrans48.450.5177.8-56.8-179.3-179.81713.3112.1R32R30-R32 PolarHBondContact O-N 2.93Å
31E82.1Confident91.5Very high166 Ų16663.9 Ų63.978%0.77631%0.307SS*.THydrogen-bonded Turntrans64.316.3-177.7-51.4-53.6128.800115.6L29L29-E31 VanDerWaalsContact C-N 3.29Å; L29-E31 PolarHBondContact O-N 2.86Å
32R85.9Confident91.2Very high195 Ų19561.6 Ų61.674%0.73630%0.301SS*.EExtended strand (participates in β ladder)trans-125.7137.1177.8-61.5-175.9-177.5-163-1.4111.6L29 R30L29-R32 PolarHBondContact N-O 2.89Å; L29-R32 PolarHBondContact O-N 2.86Å; R30-R32 PolarHBondContact O-N 2.93Å
33W89.6Confident91.1Very high82 Ų8262.7 Ų62.731%0.31129%0.293SS..EExtended strand (participates in β ladder)trans-79123.2173-65.1100.7000109.8E26 L28 L263 I276 R278E26-W33 HydrophobicContact CB-CB 4.43Å; E26-W33 HydrophobicContact CB-CE3 3.9Å; L28-W33 HydrophobicContact CB-CE3 4.09Å; L28-W33 HydrophobicContact CB-CH2 4.01Å; L28-W33 HydrophobicContact CB-CZ2 4.48Å; L28-W33 HydrophobicContact CB-CZ3 3.78Å; L28-W33 HydrophobicContact CD1-CD2 4.12Å; L28-W33 HydrophobicContact CD1-CE3 4.48Å; L28-W33 HydrophobicContact CD1-CZ2 4.19Å; W33-L263 HydrophobicContact CH2-CD2 3.69Å; W33-L263 HydrophobicContact CZ2-CD2 4.29Å; W33-L263 HydrophobicContact CZ3-CD2 4.47Å; W33-I276 HydrophobicContact CH2-CG2 4.13Å; W33-R278 HydrophobicContact CE3-CB 3.8Å; W33-R278 HydrophobicContact CH2-CB 3.71Å; W33-R278 HydrophobicContact CZ2-CB 4.44Å; W33-R278 HydrophobicContact CZ3-CB 3.34Å
34V89.4Confident91.2Very high32 Ų3262.4 Ų62.419%0.19429%0.288CS..EExtended strand (participates in β ladder)trans-118.9129.8178.2-178.20000108.9E26 L27 L29 V36 L206E26-V34 CarbonylContact C-O 3.49Å; E26-V34 WeakPolarHBondContact CA-O 3.44Å; L27-V34 PolarHBondContact N-O 2.89Å; L27-V34 PolarHBondContact O-N 2.9Å; L29-V34 HydrophobicContact CB-CG2 4.37Å; L29-V34 HydrophobicContact CD1-CB 4.37Å; L29-V34 HydrophobicContact CD1-CG2 4.19Å; V34-V36 HydrophobicContact CG1-CG1 4.43Å; V34-V36 PolarHBondContact O-N 2.9Å; V34-L206 HydrophobicContact CG2-CD1 4.17Å
35R91.4Very high91.3Very high114 Ų11457.8 Ų57.843%0.4326%0.263SS..EExtended strand (participates in β ladder)trans-71128175.5-71.5178.254-173.3-12.4110.2E26 D50 A53E26-R35 HydrophobicContact CG-CG 4.08Å; R35-D50 HydrophobicContact CB-CB 4.04Å; R35-D50 IonicContact CZ-OD2 2.81Å; R35-D50 IonicContact NE-OD2 2.9Å; R35-D50 PolarHBondContact NE-OD2 3.33Å; R35-D50 IonicContact NH2-OD2 3.48Å; R35-D50 PolarHBondContact NH2-OD2 3.22Å; R35-D50 WeakPolarHBondContact O-CB 3.37Å; R35-D50 PolarHBondContact O-N 3Å; R35-D50 VanDerWaalsContact O-N 3.12Å; R35-A53 HydrophobicContact CB-CB 4.31Å
36V93.3Very high91.2Very high0 Ų058 Ų580%027%0.265CS..EExtended strand (participates in β ladder)trans-134.4148178.2-59.10000110.3V25 L27 V34 L47 T48 V207V25-V36 HydrophobicContact CG2-CG2 3.62Å; V25-V36 PolarHBondContact N-O 3.2Å; V25-V36 PolarHBondContact O-N 3.49Å; L27-V36 HydrophobicContact CB-CG1 4.09Å; L27-V36 HydrophobicContact CB-CG2 3.91Å; L27-V36 HydrophobicContact CD2-CG1 4.33Å; V34-V36 HydrophobicContact CG1-CG1 4.43Å; V34-V36 PolarHBondContact O-N 2.9Å; V36-L47 HydrophobicContact CG2-CD2 4.18Å; V36-T48 CarbonylContact C-O 3.47Å; V36-T48 VanDerWaalsContact CA-O 3.25Å; V36-T48 WeakPolarHBondContact CA-O 3.27Å; V36-T48 WeakPolarHBondContact CB-O 3.36Å; V36-V207 HydrophobicContact CG1-CG2 3.85Å
37V94.8Very high91.2Very high48 Ų4855.4 Ų55.429%0.29125%0.253SS..EExtended strand (participates in β ladder)trans-83.9116.4165.4-178.40000107.3L24 E39 L47 T48L24-V37 HydrophobicContact CD2-CG2 3.75Å; V37-E39 HydrophobicContact CG1-CG 4.35Å; V37-L47 WeakPolarHBondContact O-CA 3.4Å; V37-T48 PolarHBondContact N-O 2.87Å; V37-T48 PolarHBondContact O-N 2.9Å
38A95.8Very high91Very high0 Ų057.5 Ų57.50%027%0.266CS..EExtended strand (participates in β ladder)trans-95.4133173.300000110.2A22 G23 V25 L45 S46 L47 W288A22-A38 CarbonylContact C-O 3.47Å; A22-A38 WeakPolarHBondContact CA-O 3.4Å; G23-A38 PolarHBondContact N-O 2.8Å; G23-A38 PolarHBondContact O-N 2.79Å; V25-A38 HydrophobicContact CG1-CB 4.45Å; V25-A38 HydrophobicContact CG2-CB 3.68Å; A38-L45 HydrophobicContact CB-CD1 4.23Å; A38-S46 CarbonylContact C-O 3.46Å; A38-S46 WeakPolarHBondContact CA-O 3.33Å; A38-L47 HydrophobicContact CB-CD2 3.73Å; A38-W288 HydrophobicContact CB-CH2 3.81Å; A38-W288 HydrophobicContact CB-CZ2 4.23Å; A38-W288 HydrophobicContact CB-CZ3 4.26Å; A38-W288 WeakPolarHBondContact O-CH2 3.3Å
39E96.1Very high90.7Very high84 Ų8456.6 Ų56.639%0.39327%0.265SS..EExtended strand (participates in β ladder)trans-129.5112.5175.7-64.5-179.716500109.3K21 A22 V37 S46K21-E39 CarbonylContact O-C 3.54Å; A22-E39 HydrophobicContact CB-CG 4.09Å; V37-E39 HydrophobicContact CG1-CG 4.35Å; E39-S46 PolarHBondContact N-O 3.03Å; E39-S46 PolarHBondContact O-N 2.92Å
40L96.5Very high90.1Very high7 Ų757.5 Ų57.54%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-89.6110.4175.4-176.867000109.1A19 T20 K21 L45 L245 W288 A291 I292 N295A19-L40 HydrophobicContact CB-CD2 4.37Å; T20-L40 WeakPolarHBondContact CA-O 3.19Å; K21-L40 HydrophobicContact CB-CB 4.23Å; K21-L40 HydrophobicContact CB-CD2 4.43Å; K21-L40 PolarHBondContact N-O 3.35Å; K21-L40 WeakPolarHBondContact O-CB 3.21Å; K21-L40 PolarHBondContact O-N 2.87Å; L40-L45 HydrophobicContact CB-CD1 4.44Å; L40-L45 HydrophobicContact CD1-CD1 4.46Å; L40-L245 HydrophobicContact CD1-CD1 3.47Å; L40-L245 VanDerWaalsContact CD1-CD1 3.47Å; L40-W288 HydrophobicContact CB-CZ3 4.13Å; L40-A291 HydrophobicContact CD2-CB 3.66Å; L40-I292 HydrophobicContact CD1-CG1 4.26Å; L40-I292 HydrophobicContact CD2-CG1 4.37Å; L40-N295 WeakPolarHBondContact CD2-ND2 3.45Å; L40-N295 VanDerWaalsContact CG-ND2 3.32Å; L40-N295 WeakPolarHBondContact CG-ND2 3.23Å
41S88.1Confident88.8Confident53 Ų5352.7 Ų52.737%0.37127%0.271SS..EExtended strand (participates in β ladder)trans-95152.5160.672.70000108.1E43 S44S41-E43 PolarHBondContact O-N 2.91Å; S41-S44 PolarHBondContact N-O 3.42Å; S41-S44 PolarHBondContact O-N 3.22Å; S41-S44 PolarHBondContact OG-O 3.47Å; S41-S44 PolarHBondContact OG-OG 2.91Å
42G88.3Confident87.2Confident11 Ų1148.1 Ų48.111%0.11326%0.261CS..THydrogen-bonded Turntrans-48.9-20.9-170.900000117.1N295G42-N295 WeakPolarHBondContact CA-ND2 3.37Å
43E92.3Very high85Confident95 Ų9540.9 Ų40.944%0.44424%0.243SC..THydrogen-bonded Turntrans-119.9-9.3-178.2-48.8-173.4158.300113.8R18 S41 L245 L299R18-E43 IonicContact CZ-OE1 3.75Å; R18-E43 IonicContact NH1-OE1 3.88Å; R18-E43 PolarHBondContact NH1-OE1 2.8Å; R18-E43 IonicContact NH2-OE1 2.72Å; R18-E43 PolarHBondContact NH2-OE1 3.03Å; S41-E43 PolarHBondContact O-N 2.91Å; E43-L245 PolarHBondContact O-N 3.21Å; E43-L299 HydrophobicContact CB-CD2 4.48Å; E43-L299 HydrophobicContact CG-CD2 4.11Å
44S95.2Very high82.7Confident21 Ų2140.2 Ų40.215%0.14726%0.255CS..EExtended strand (participates in β ladder)trans-150.3149.5-174.7710000113.5S41 I243S41-S44 PolarHBondContact N-O 3.42Å; S41-S44 PolarHBondContact O-N 3.22Å; S41-S44 PolarHBondContact OG-O 3.47Å; S41-S44 PolarHBondContact OG-OG 2.91Å; S44-I243 CarbonylContact C-O 3.38Å; S44-I243 WeakPolarHBondContact CA-O 3.31Å; S44-I243 WeakPolarHBondContact CB-O 3.2Å
45L96.4Very high80.2Confident0 Ų047 Ų470%029%0.285CS..EExtended strand (participates in β ladder)trans-103118169.1178.466.6000109.2A38 L40 L47 I243 L245 L266 L277 W288 I292A38-L45 HydrophobicContact CB-CD1 4.23Å; L40-L45 HydrophobicContact CB-CD1 4.44Å; L40-L45 HydrophobicContact CD1-CD1 4.46Å; L45-L47 HydrophobicContact CD1-CD2 4.4Å; L45-L47 HydrophobicContact CD2-CD2 4.18Å; L45-L47 HydrophobicContact CG-CD2 4.08Å; L45-L47 HydrophobicContact CG-CG 4.43Å; L45-I243 HydrophobicContact CB-CB 4.26Å; L45-I243 HydrophobicContact CB-CG2 4.42Å; L45-I243 PolarHBondContact N-O 3Å; L45-I243 WeakPolarHBondContact O-CB 3.39Å; L45-I243 PolarHBondContact O-N 3.42Å; L45-L245 HydrophobicContact CB-CD2 4.2Å; L45-L266 HydrophobicContact CD2-CD2 4.09Å; L45-L277 HydrophobicContact CD2-CD1 4.06Å; L45-W288 HydrophobicContact CD1-CZ3 4.48Å; L45-I292 HydrophobicContact CD2-CD1 4.45Å
46S94.5Very high77.6Confident10 Ų1048.9 Ų48.97%0.0730%0.303CS..EExtended strand (participates in β ladder)trans-97.5130.8173.7-61.60000110.1A38 E39 K241A38-S46 CarbonylContact C-O 3.46Å; A38-S46 WeakPolarHBondContact CA-O 3.33Å; E39-S46 PolarHBondContact N-O 3.03Å; E39-S46 PolarHBondContact O-N 2.92Å; S46-K241 CarbonylContact C-O 3.59Å; S46-K241 VanDerWaalsContact CA-O 3.27Å; S46-K241 WeakPolarHBondContact CA-O 3.47Å
47L93.9Very high74.6Confident0 Ų057.5 Ų57.50%034%0.343CS..EExtended strand (participates in β ladder)trans-117125.3176.3-58.2178.3000108.6L27 V36 V37 A38 L45 V207 R240 K241 I243 L275 L277L27-L47 HydrophobicContact CD1-CD1 4.17Å; L27-L47 HydrophobicContact CD2-CD1 4Å; V36-L47 HydrophobicContact CG2-CD2 4.18Å; V37-L47 WeakPolarHBondContact O-CA 3.4Å; A38-L47 HydrophobicContact CB-CD2 3.73Å; L45-L47 HydrophobicContact CD1-CD2 4.4Å; L45-L47 HydrophobicContact CD2-CD2 4.18Å; L45-L47 HydrophobicContact CG-CD2 4.08Å; L45-L47 HydrophobicContact CG-CG 4.43Å; L47-V207 HydrophobicContact CB-CG1 4Å; L47-V207 WeakPolarHBondContact O-CG1 3.37Å; L47-R240 CarbonylContact O-C 3.5Å; L47-R240 VanDerWaalsContact O-CA 3.27Å; L47-R240 WeakPolarHBondContact O-CA 3.22Å; L47-K241 PolarHBondContact N-O 2.94Å; L47-K241 PolarHBondContact O-N 2.8Å; L47-I243 HydrophobicContact CD1-CD1 3.61Å; L47-I243 HydrophobicContact CG-CD1 3.96Å; L47-L275 HydrophobicContact CD1-CD1 4.46Å; L47-L277 HydrophobicContact CD1-CD2 4.45Å; L47-L277 HydrophobicContact CD2-CD2 4.45Å
48T90.8Very high71.6Confident43 Ų4360.6 Ų60.626%0.26436%0.364SS..EExtended strand (participates in β ladder)trans-122.8130.4179.1-49.80000110.3V36 V37 D239 R240V36-T48 CarbonylContact C-O 3.47Å; V36-T48 VanDerWaalsContact CA-O 3.25Å; V36-T48 WeakPolarHBondContact CA-O 3.27Å; V36-T48 WeakPolarHBondContact CB-O 3.36Å; V37-T48 PolarHBondContact N-O 2.87Å; V37-T48 PolarHBondContact O-N 2.9Å; T48-D239 CarbonylContact C-O 3.6Å; T48-D239 VanDerWaalsContact CA-O 3.26Å; T48-D239 WeakPolarHBondContact CA-O 3.48Å; T48-R240 HydrophobicContact CG2-CB 4.43Å; T48-R240 WeakPolarHBondContact OG1-CG 3.21Å
49G82.9Confident68.6Low14 Ų1465.4 Ų65.414%0.14440%0.404CS..EExtended strand (participates in β ladder)trans-61.8135.2179.400000113.2A51 D239G49-A51 PolarHBondContact O-N 2.86Å; G49-D239 WeakPolarHBondContact CA-OD2 3.28Å; G49-D239 PolarHBondContact N-O 2.85Å
50D73.3Confident65.6Low39 Ų3970.1 Ų70.121%0.20943%0.431CS..  trans-81.297.7174.2-172.6-1.3000109.6R35 A52 A53R35-D50 HydrophobicContact CB-CB 4.04Å; R35-D50 IonicContact CZ-OD2 2.81Å; R35-D50 IonicContact NE-OD2 2.9Å; R35-D50 PolarHBondContact NE-OD2 3.33Å; R35-D50 IonicContact NH2-OD2 3.48Å; R35-D50 PolarHBondContact NH2-OD2 3.22Å; R35-D50 WeakPolarHBondContact O-CB 3.37Å; R35-D50 PolarHBondContact O-N 3Å; R35-D50 VanDerWaalsContact O-N 3.12Å; D50-A52 PolarHBondContact O-N 2.84Å; D50-A52 WeakPolarHBondContact OD1-CB 3.37Å; D50-A52 PolarHBondContact OD1-N 2.83Å; D50-A53 PolarHBondContact O-N 3.19Å
51A54.5Low62.2Low93 Ų9373 Ų7377%0.76946%0.462SS*.G310 helixtrans-59.5-17.5-177.600000113.9G49G49-A51 PolarHBondContact O-N 2.86Å
52A47.7Very low59.8Low69 Ų6976.7 Ų76.757%0.5749%0.485SS*.G310 helixtrans-80.5-15.3-17900000114.2D50D50-A52 PolarHBondContact O-N 2.84Å; D50-A52 WeakPolarHBondContact OD1-CB 3.37Å; D50-A52 PolarHBondContact OD1-N 2.83Å
53A41.3Very low56.9Low43 Ų4381 Ų8136%0.35552%0.52SS..G310 helixtrans-82.9-9.8-174.400000114.6R35 D50 E55R35-A53 HydrophobicContact CB-CB 4.31Å; D50-A53 PolarHBondContact O-N 3.19Å; A53-E55 VanDerWaalsContact C-N 3.27Å; A53-E55 PolarHBondContact O-N 3.33Å
54A39.8Very low53.8Low68 Ų6881.4 Ų81.456%0.56254%0.539SS*.G310 helixtrans-83.76.7-178.400000114.5
55E38.1Very low50.6Low176 Ų17685.2 Ų85.282%0.82257%0.572SS**G310 helixtrans-110.50.2-176.4-63.4-161.1159.300114.8A53A53-E55 VanDerWaalsContact C-N 3.27Å; A53-E55 PolarHBondContact O-N 3.33Å
56L35.1Very low47.3Very low152 Ų15290.4 Ų90.480%0.79662%0.615SS**  trans-118.175.4-177.2-88145.9000111.9
57E30.7Very low44.1Very low182 Ų18299 Ų9985%0.8565%0.651SS**  trans-108.2114.2155.6-81.7-74.7157.500107.2
58P33.4Very low40.9Very low112 Ų112106 Ų10673%0.72769%0.689SS**PPolyproline II helixtrans-83.9117.2174.420.5-9.6000110.1L60P58-L60 PolarHBondContact O-N 2.7Å
59A31.9Very low37.9Very low102 Ų102107.3 Ų107.384%0.84371%0.711SS**PPolyproline II helixtrans-62.9124.5164.800000109.8
60L32.4Very low35.2Very low182 Ų182114.4 Ų114.495%0.95375%0.745SS**PPolyproline II helixtrans-66130174.9-77153.8000111.7P58P58-L60 PolarHBondContact O-N 2.7Å
61G26.4Very low33.7Very low68 Ų68117.8 Ų117.870%0.70177%0.769SS**  trans172.6135.5164.900000113
62P37.2Very low32.5Very low130 Ų130120.9 Ų120.984%0.84477%0.772SS**  trans-101.5169.2-15739.3-35.4000116.7
63A27Very low31.6Very low102 Ų102121.3 Ų121.384%0.84378%0.784SS**  trans82.1142.1164.300000116.6
64A27.1Very low31Very low103 Ų103123.4 Ų123.485%0.85181%0.81SS**  cis-158.4167.31.400000109.6
65A27.9Very low30.4Very low102 Ų102124.2 Ų124.284%0.84383%0.825SS**  trans-59.3152.5-174.600000117.3
66A28.2Very low29.9Very low108 Ų108121.3 Ų121.389%0.89383%0.83SS**  trans-157.2149.4136.700000110.5
67F26.5Very low29.7Very low190 Ų190117.7 Ų117.783%0.83383%0.83SS**  trans-119.2173.9-154.8-167.6-96.5000110.3
68N27.9Very low29.6Very low148 Ų148116.4 Ų116.479%0.79183%0.829SS**  trans84.4136.3174.9-69.2-26.6000116.8
69G26.1Very low29.4Very low71 Ų71116.8 Ų116.873%0.73283%0.834SS**  cis167.5134.14.900000108.5
70L27.7Very low29.4Very low162 Ų162119.7 Ų119.785%0.84884%0.835SS**  trans-62.3173.5165.2-90.8125.6000110.7
71P41.7Very low29.8Very low110 Ų110117.2 Ų117.271%0.71483%0.829SS**  cis-155.1172.734.542.3-19.4000120.4
72N29.6Very low29.9Very low158 Ų158117.5 Ų117.585%0.84583%0.832SS**  trans58.1141.9136.5-81.5-2.4000126
73G28.8Very low29.6Very low79 Ų79116.9 Ų116.981%0.81483%0.831SS**  trans128.3113.4151.300000110.8
74G26.8Very low30.3Very low87 Ų87117.6 Ų117.690%0.89783%0.827SS**  cis109.7120.529.200000108.6
75G28.2Very low30.4Very low85 Ų85117.6 Ų117.688%0.87682%0.821SS**  trans135.3121.2162.200000116.4
76A28.4Very low30.4Very low114 Ų114124.9 Ų124.994%0.94283%0.827SS**  trans-73.6169.9179.800000114.6
77G29.3Very low30.4Very low76 Ų76122.9 Ų122.978%0.78482%0.817SS**  trans168.2109.4163.200000114.9
78D28.5Very low30.7Very low156 Ų156122.3 Ų122.383%0.83482%0.821SS**  trans-53.8162.2-177.3-66.7-56.7000118.4
79S30.5Very low30.8Very low119 Ų119118.9 Ų118.983%0.83282%0.821SS**  124.9106.5130-48.40000116.3
80L31Very low31.5Very low164 Ų164121.5 Ų121.586%0.85983%0.825SS**  trans-74.9163.2148.4-81.8167.5000108.7
81P40.7Very low32Very low129 Ų129119.9 Ų119.984%0.83882%0.824SS**  cis-154176.948.139-15.9000118
82G28.2Very low31.6Very low74 Ų74120.1 Ų120.176%0.76383%0.829SS**  trans127.493.1147.200000117.1
83S31.4Very low32.2Very low118 Ų118118.2 Ų118.283%0.82582%0.824SS**  trans-77.4160.5151.7-37.80000108.8
84P40.9Very low32.5Very low116 Ų116120.5 Ų120.575%0.75383%0.825SS**  -154.1175.966.239.8-17.8000117.6
85S29.1Very low32.8Very low104 Ų104120.9 Ų120.973%0.72782%0.82SS**  trans96.9105.3144.7-55.60000120.4
86R29.6Very low33.2Very low254 Ų254122.9 Ų122.996%0.95882%0.817SS**  46.7122.2126.4-77.3-177.4164.5-166.2-3.5119.3
87G27.2Very low33.3Very low66 Ų66125.8 Ų125.868%0.6882%0.816SS**  trans158.1116.1139.600000115.7
88L32.6Very low33.2Very low179 Ų179133.9 Ų133.994%0.93782%0.823SS**  trans76.1106.6144.9-55.4167.2000117.6
89G30.6Very low33.4Very low75 Ų75131.3 Ų131.377%0.77382%0.817SS**PPolyproline II helixtrans-74.5157.7170.200000113.1
90P40.1Very low33.8Very low127 Ų127131.8 Ų131.883%0.82582%0.817SS**PPolyproline II helixtrans-93.4159.7174.434.7-31000113.1
91P37.9Very low34Very low127 Ų127129.1 Ų129.183%0.82582%0.819SS**PPolyproline II helixtrans-89.4157.9-161.235.5-35.2000114.9
92S34.4Very low33.5Very low116 Ų116126.3 Ų126.381%0.81181%0.814SS**PPolyproline II helixtrans-70.5146.9174.6-40.30000113.1
93P41.5Very low33.6Very low117 Ų117132.8 Ų132.876%0.7682%0.824SS**PPolyproline II helixtrans-86.6161.9172.534.6-32.4000112.7
94P36.3Very low33.7Very low127 Ų127132 Ų13283%0.82583%0.825SS**PPolyproline II helixtrans-83.9154.2-166.433.7-34.2000113.9
95A33.2Very low33.8Very low95 Ų95130.6 Ų130.679%0.78583%0.831SS**PPolyproline II helixtrans-72.2144.9176.200000112.6
96P35.6Very low34.1Very low127 Ų127129.9 Ų129.983%0.82583%0.832SS**PPolyproline II helixtrans-90.6153.4168.832.1-26.2000112.9
97L29.8Very low35Very low176 Ų176122 Ų12292%0.92182%0.815SS**PPolyproline II helixtrans-66.2150.8-169.6-70.6129.2000115.3
98R27.9Very low36.5Very low245 Ų245121.2 Ų121.293%0.92580%0.799SS**PPolyproline II helixtrans-58.7126.5173.8-178.7-179.9176.6-150.41.1112.9
99S32.3Very low38.6Very low102 Ų102117.4 Ų117.471%0.71379%0.785SS**PPolyproline II helixtrans-87150.9163.4-21.60000110.7
100P39.8Very low41.1Very low129 Ų129117.4 Ų117.484%0.83877%0.769SS**PPolyproline II helixtrans-80.3154.117133.3-30.8000111.6
101A34.3Very low43.4Very low108 Ų108114.2 Ų114.289%0.89374%0.741SS**PPolyproline II helixtrans-74.6157.8-175.400000113.8
102G30Very low45.8Very low71 Ų71117 Ų11773%0.73274%0.735SS**  trans170.6103.9165.600000115.2
103E31.2Very low48.4Very low209 Ų209111.9 Ų111.998%0.97770%0.699SS**  trans85.6137.9145-61.9-173.2159.100123.3
104A33.4Very low50.6Low102 Ų102113.6 Ų113.684%0.84369%0.69SS**  trans-98157.5-171.200000112.5
105G42.2Very low53Low86 Ų86107.6 Ų107.689%0.88765%0.651SS**  trans79.762.8154.400000117.8
106A36.8Very low55.5Low90 Ų90106.7 Ų106.774%0.74464%0.636SS**  trans-139134.9163.500000110.8
107S48Very low57.8Low87 Ų87102.4 Ų102.461%0.60860%0.604SS**PPolyproline II helixtrans-48.2139.6162.267.50000108.8P109S107-P109 VanDerWaalsContact O-N 3.13Å
108P59.3Low60Low51 Ų5197.4 Ų97.433%0.33158%0.576SS.*PPolyproline II helixtrans-54.3126.5-172.517.9-29000109.4K192 F193P108-K192 HydrophobicContact CG-CG 4.45Å; P108-F193 HydrophobicContact CB-CB 4.45Å; P108-F193 WeakPolarHBondContact CG-O 3.32Å
109P75.5Confident61.7Low98 Ų9894 Ų9464%0.63657%0.571SS**PPolyproline II helixtrans-61.2144.3-174.523.1-32.5000109.8S107 R111S107-P109 VanDerWaalsContact O-N 3.13Å; P109-R111 PolarHBondContact O-N 2.75Å
110V83.4Confident63Low75 Ų7594.4 Ų94.446%0.45558%0.58SS.*PPolyproline II helixtrans-64123.9170.6176.70000107.7L161 E190 K192V110-L161 HydrophobicContact CB-CD1 4.48Å; V110-L161 HydrophobicContact CG1-CD1 3.92Å; V110-L161 HydrophobicContact CG2-CD1 3.74Å; V110-E190 HydrophobicContact CG1-CB 3.99Å; V110-E190 HydrophobicContact CG1-CG 4.5Å; V110-K192 HydrophobicContact CG2-CB 4.48Å
111R89.1Confident64.1Low60 Ų6089.1 Ų89.123%0.22655%0.549CS..EExtended strand (participates in β ladder)trans-101.2127.1-177.8-63.2-176.7-71.9143.2-0.5109.3P109 V113 A153 D158 E190 V191P109-R111 PolarHBondContact O-N 2.75Å; R111-V113 HydrophobicContact CB-CG2 4.34Å; R111-A153 PolarHBondContact NH1-O 3.28Å; R111-D158 IonicContact CZ-OD1 2.65Å; R111-D158 IonicContact CZ-OD2 3.33Å; R111-D158 IonicContact NH2-OD1 3.74Å; R111-D158 PolarHBondContact NH2-OD1 2.9Å; R111-D158 IonicContact NH2-OD2 3.29Å; R111-D158 PolarHBondContact NH2-OD2 3.42Å; R111-E190 CarbonylContact O-C 3.6Å; R111-E190 WeakPolarHBondContact O-CA 3.33Å; R111-V191 HydrophobicContact CB-CG2 3.99Å; R111-V191 PolarHBondContact N-O 2.91Å; R111-V191 PolarHBondContact O-N 3.03Å
112R88.1Confident66.2Low186 Ų18686.3 Ų86.370%0.70253%0.53SS*.EExtended strand (participates in β ladder)trans-88.2119.2168.6-77.7173.8177.4-177.40.5108.9L189 E190R112-L189 CarbonylContact C-O 3.58Å; R112-L189 WeakPolarHBondContact CA-O 3.35Å; R112-E190 HydrophobicContact CG-CG 3.76Å; R112-E190 IonicContact CZ-OE1 2.71Å; R112-E190 VanDerWaalsContact CZ-OE1 3.24Å; R112-E190 IonicContact NE-OE1 3.6Å; R112-E190 PolarHBondContact NE-OE1 2.79Å; R112-E190 IonicContact NH2-OE1 3.78Å; R112-E190 PolarHBondContact NH2-OE1 2.95Å
113V88.8Confident68.7Low8 Ų883.7 Ų83.75%0.04850%0.499CS..EExtended strand (participates in β ladder)trans-122.4119.6-175.4179.10000108.9R111 V115 A153 L154 L189 V191R111-V113 HydrophobicContact CB-CG2 4.34Å; V113-V115 HydrophobicContact CG1-CG2 3.81Å; V113-A153 HydrophobicContact CB-CB 4.33Å; V113-A153 HydrophobicContact CG1-CB 3.38Å; V113-A153 HydrophobicContact CG2-CB 4.03Å; V113-L154 HydrophobicContact CB-CD2 4.06Å; V113-L154 HydrophobicContact CG1-CD2 3.86Å; V113-L154 HydrophobicContact CG1-CG 4.04Å; V113-L154 HydrophobicContact CG2-CD2 4.18Å; V113-L189 HydrophobicContact CB-CB 4.44Å; V113-L189 PolarHBondContact N-O 3.35Å; V113-L189 PolarHBondContact O-N 2.89Å; V113-V191 HydrophobicContact CG2-CG2 3.94Å
114R88.1Confident71.3Confident153 Ų15374.2 Ų74.258%0.57746%0.458SS*.EExtended strand (participates in β ladder)trans-96.4122.4174.3-175.8-172.4-179.8-151.51.6108.7E186 L188R114-E186 WeakPolarHBondContact CD-OE1 3.22Å; R114-E186 HydrophobicContact CG-CG 4.12Å; R114-E186 IonicContact CZ-OE1 2.81Å; R114-E186 IonicContact CZ-OE2 3.91Å; R114-E186 IonicContact NE-OE1 3.06Å; R114-E186 PolarHBondContact NE-OE1 2.86Å; R114-E186 IonicContact NE-OE2 3.14Å; R114-E186 IonicContact NH2-OE1 2.69Å; R114-E186 PolarHBondContact NH2-OE1 2.93Å; R114-E186 IonicContact NH2-OE2 2.87Å; R114-E186 PolarHBondContact NH2-OE2 3.37Å; R114-L188 HydrophobicContact CB-CD1 4.23Å
115V87.1Confident73.8Confident2 Ų270.7 Ų70.71%0.01243%0.425CS..EExtended strand (participates in β ladder)trans-123.4128175.9-170.80000109.3V113 L123 A147 L154 V187 L189V113-V115 HydrophobicContact CG1-CG2 3.81Å; V115-L123 HydrophobicContact CB-CD1 3.72Å; V115-L123 HydrophobicContact CG1-CD1 3.49Å; V115-L123 VanDerWaalsContact CG1-CD1 3.49Å; V115-L123 HydrophobicContact CG2-CD1 4.29Å; V115-A147 HydrophobicContact CG1-CB 3.81Å; V115-L154 HydrophobicContact CG2-CD1 4.14Å; V115-V187 PolarHBondContact N-O 2.82Å; V115-V187 PolarHBondContact O-N 2.84Å; V115-L189 HydrophobicContact CG2-CD1 4.36Å
116V84.4Confident75.9Confident75 Ų7568.7 Ų68.746%0.45540%0.397SS..EExtended strand (participates in β ladder)trans-98.4122.4176.2-175.90000108.3A147 K185V116-A147 VanDerWaalsContact O-CB 3.31Å; V116-A147 WeakPolarHBondContact O-CB 3.27Å; V116-K185 CarbonylContact C-O 3.58Å; V116-K185 WeakPolarHBondContact CA-O 3.48Å; V116-K185 HydrophobicContact CG1-CG 4.19Å
117K83.5Confident78.4Confident38 Ų3865.3 Ų65.317%0.16537%0.366CS..PPolyproline II helixtrans-68.1144.5178.1-62-176-176.2178.90110L180 A183 G184 K185 V187K117-L180 PolarHBondContact NZ-O 2.95Å; K117-A183 WeakPolarHBondContact CE-O 3.43Å; K117-A183 PolarHBondContact NZ-O 3.02Å; K117-G184 WeakPolarHBondContact CD-O 3.21Å; K117-G184 WeakPolarHBondContact CE-O 3.32Å; K117-K185 PolarHBondContact N-O 3.27Å; K117-V187 HydrophobicContact CD-CG2 4.33Å; K117-V187 HydrophobicContact CG-CG2 4.19Å
118Q77.6Confident80Confident70 Ų7066.4 Ų66.433%0.32736%0.36SS..BIsolated β-bridgetrans-78.4152.4174.2-67.5173.714.600110A120 G121 G145Q118-A120 PolarHBondContact O-N 3.44Å; Q118-G121 PolarHBondContact N-O 2.74Å; Q118-G121 PolarHBondContact O-N 3.19Å; Q118-G145 PolarHBondContact NE2-O 3.45Å
119E63.9Low81.2Confident175 Ų17564.3 Ų64.382%0.81835%0.348SS*.THydrogen-bonded Turntrans-65.1-23.6-177.5-62.4-171.4164.400112.9K185E119-K185 IonicContact OE1-NZ 2.83Å; E119-K185 PolarHBondContact OE1-NZ 2.71Å
120A57.7Low81.6Confident109 Ų10959.7 Ų59.790%0.90132%0.318SS*.THydrogen-bonded Turntrans-116.319.4176.600000113.9Q118Q118-A120 PolarHBondContact O-N 3.44Å
121G63.9Low81.5Confident19 Ų1964 Ų6420%0.19633%0.326CS..BIsolated β-bridgetrans-156.3134.8-174.800000114.3Q118Q118-G121 PolarHBondContact N-O 2.74Å; Q118-G121 PolarHBondContact O-N 3.19Å
122G78.1Confident81.1Confident48 Ų4865.8 Ų65.850%0.49534%0.337SS..  trans-65.6-176.8173.600000113.2G124G122-G124 PolarHBondContact O-N 2.94Å; G122-G124 VanDerWaalsContact O-N 3.11Å
123L82.5Confident80.5Confident16 Ų1661.8 Ų61.88%0.08433%0.33CS..  trans-57.1-29.7-178.3-175.762.1000113.4V115 I125 A148 L180 V187 L189V115-L123 HydrophobicContact CB-CD1 3.72Å; V115-L123 HydrophobicContact CG1-CD1 3.49Å; V115-L123 VanDerWaalsContact CG1-CD1 3.49Å; V115-L123 HydrophobicContact CG2-CD1 4.29Å; L123-I125 HydrophobicContact CD2-CD1 3.52Å; L123-I125 HydrophobicContact CD2-CG1 3.82Å; L123-I125 HydrophobicContact CG-CD1 4.2Å; L123-I125 HydrophobicContact CG-CG1 4.09Å; L123-A148 WeakPolarHBondContact O-CB 3.3Å; L123-A148 PolarHBondContact O-N 3.23Å; L123-L180 HydrophobicContact CD2-CD2 3.85Å; L123-V187 HydrophobicContact CD1-CG2 4.46Å; L123-L189 HydrophobicContact CD2-CD1 4.45Å
124G84.9Confident79.9Confident11 Ų1173.1 Ų73.111%0.11337%0.372CS..  trans80.830.5174.300000114.9G122 F143G122-G124 PolarHBondContact O-N 2.94Å; G122-G124 VanDerWaalsContact O-N 3.11Å; G124-F143 WeakPolarHBondContact O-CD2 3.34Å; G124-F143 PolarHBondContact O-N 3.08Å
125I87.6Confident79.5Confident27 Ų2767.9 Ų67.914%0.13835%0.354CS..EExtended strand (participates in β ladder)trans-122.9150.3172.763.4177000111.1L123 I127 I139 K141 I142 A148 L154 I160 L180L123-I125 HydrophobicContact CD2-CD1 3.52Å; L123-I125 HydrophobicContact CD2-CG1 3.82Å; L123-I125 HydrophobicContact CG-CD1 4.2Å; L123-I125 HydrophobicContact CG-CG1 4.09Å; I125-I127 HydrophobicContact CD1-CG2 4.15Å; I125-I127 HydrophobicContact CG1-CG2 4.46Å; I125-I139 HydrophobicContact CB-CG2 4.3Å; I125-I139 HydrophobicContact CD1-CD1 4.32Å; I125-I139 HydrophobicContact CD1-CG1 4.39Å; I125-I139 HydrophobicContact CG2-CG2 4.35Å; I125-K141 CarbonylContact C-O 3.54Å; I125-K141 WeakPolarHBondContact CA-O 3.47Å; I125-I142 HydrophobicContact CG2-CG1 4.23Å; I125-A148 HydrophobicContact CG2-CB 3.31Å; I125-L154 HydrophobicContact CG2-CD1 4.09Å; I125-I160 HydrophobicContact CD1-CD1 4.04Å; I125-L180 HydrophobicContact CD1-CD1 4.47Å
126S85.8Confident79.4Confident45 Ų4570.2 Ų70.232%0.31537%0.37SS..EExtended strand (participates in β ladder)trans-110127.2167.2-176.20000109.1S140 K141S126-S140 PolarHBondContact O-N 2.72Å; S126-S140 PolarHBondContact O-OG 3.17Å; S126-S140 PolarHBondContact OG-OG 3.35Å; S126-K141 PolarHBondContact N-O 3.02Å; S126-K141 PolarHBondContact O-N 3.09Å
127I88.2Confident79.7Confident18 Ų1866.8 Ų66.89%0.09235%0.348CS..EExtended strand (participates in β ladder)trans-104150179.757.6161.9000111.6I125 I137 L138 I160 H173 A176 V177 L180I125-I127 HydrophobicContact CD1-CG2 4.15Å; I125-I127 HydrophobicContact CG1-CG2 4.46Å; I127-I137 HydrophobicContact CB-CG2 4.1Å; I127-I137 HydrophobicContact CD1-CG2 3.83Å; I127-I137 HydrophobicContact CG2-CG2 4.27Å; I127-L138 CarbonylContact C-O 3.5Å; I127-L138 WeakPolarHBondContact CA-O 3.25Å; I127-I160 HydrophobicContact CG2-CD1 3.77Å; I127-H173 PolarHBondContact O-CE1 3.45Å; I127-A176 HydrophobicContact CD1-CB 3.92Å; I127-V177 HydrophobicContact CD1-CG2 3.78Å; I127-V177 HydrophobicContact CG1-CG2 4.26Å; I127-L180 HydrophobicContact CD1-CD1 3.83Å; I127-L180 HydrophobicContact CG1-CD1 4.47Å; I127-L180 HydrophobicContact CG2-CD1 4.08Å
128K82.9Confident79.9Confident110 Ų11065.2 Ų65.248%0.47834%0.342SS..EExtended strand (participates in β ladder)trans-130.9165.3170.2-75.9-174178.5-1750109.5I137 L138K128-I137 WeakPolarHBondContact O-CA 3.29Å; K128-L138 PolarHBondContact N-O 2.86Å; K128-L138 PolarHBondContact O-N 3.3Å
129G85Confident80.5Confident8 Ų861.9 Ų61.98%0.08233%0.326CS..EExtended strand (participates in β ladder)trans88.9-179.5-178.300000112.7H173G129-H173 WeakPolarHBondContact O-CB 3.44Å; G129-H173 PolarHBondContact O-ND1 3.14Å
130G83.1Confident81.4Confident0 Ų054.5 Ų54.50%029%0.294CS..EExtended strand (participates in β ladder)trans150.9153.2-168.900000109.8E132 N133 R134 M135G130-E132 PolarHBondContact O-N 2.91Å; G130-N133 CarbonylContact O-C 3.54Å; G130-N133 WeakPolarHBondContact O-CA 3.44Å; G130-N133 PolarHBondContact O-N 3.2Å; G130-R134 PolarHBondContact O-N 3.24Å; G130-M135 CarbonylContact C-O 3.52Å; G130-M135 VanDerWaalsContact C-O 3.26Å; G130-M135 WeakPolarHBondContact CA-O 3.49Å; G130-M135 PolarHBondContact N-O 3.36Å; G130-M135 PolarHBondContact O-N 3.19Å
131R81.8Confident82.5Confident166 Ų16654.8 Ų54.863%0.62628%0.275SS*.G310 helixtrans-53.3-37178.7-179.2176.3173.1-170.5-0.3112.6N133 R134 Q170 A171R131-N133 PolarHBondContact O-N 2.8Å; R131-R134 PolarHBondContact O-N 3.21Å; R131-R134 VanDerWaalsContact O-N 3.07Å; R131-Q170 VanDerWaalsContact CD-O 3.31Å; R131-Q170 WeakPolarHBondContact CD-O 3.43Å; R131-A171 PolarHBondContact N-O 2.85Å
132E79.4Confident83.5Confident97 Ų9755.3 Ų55.345%0.45327%0.273SS..G310 helixtrans-60.8-28.3176.769-75.2177.500113.3G130 T172 H173G130-E132 PolarHBondContact O-N 2.91Å; E132-T172 WeakPolarHBondContact OE2-CA 3.31Å; E132-T172 WeakPolarHBondContact OE2-CB 3.36Å; E132-H173 WeakPolarHBondContact OE1-CB 3.28Å; E132-H173 PolarHBondContact OE1-N 2.78Å; E132-H173 PolarHBondContact OE2-N 2.78Å
133N75.8Confident83.8Confident102 Ų10256.9 Ų56.955%0.54527%0.267SS..G310 helixtrans-9910.1178.8-65.9-49.4000112.6G130 R131 M135G130-N133 CarbonylContact O-C 3.54Å; G130-N133 WeakPolarHBondContact O-CA 3.44Å; G130-N133 PolarHBondContact O-N 3.2Å; R131-N133 PolarHBondContact O-N 2.8Å; N133-M135 HydrophobicContact CB-CB 4.48Å; N133-M135 PolarHBondContact O-N 3.14Å; N133-M135 VanDerWaalsContact O-N 3.11Å
134R77Confident83.7Confident247 Ų24761.2 Ų61.293%0.93230%0.296SS*.THydrogen-bonded Turntrans49.733.1-174.2-58.4-178.4-176.8172.30.9113G130 R131G130-R134 PolarHBondContact O-N 3.24Å; R131-R134 PolarHBondContact O-N 3.21Å; R131-R134 VanDerWaalsContact O-N 3.07Å
135M79.8Confident83.5Confident42 Ų4262.7 Ų62.721%0.20731%0.31CS..EExtended strand (participates in β ladder)trans-134.2137-173.6-175.2-176.6-65.400109.8G130 N133 L138 Y200G130-M135 CarbonylContact C-O 3.52Å; G130-M135 VanDerWaalsContact C-O 3.26Å; G130-M135 WeakPolarHBondContact CA-O 3.49Å; G130-M135 PolarHBondContact N-O 3.36Å; G130-M135 PolarHBondContact O-N 3.19Å; N133-M135 HydrophobicContact CB-CB 4.48Å; N133-M135 PolarHBondContact O-N 3.14Å; N133-M135 VanDerWaalsContact O-N 3.11Å; M135-L138 HydrophobicContact CG-CD1 3.75Å; M135-L138 HydrophobicContact SD-CD1 3.8Å; M135-Y200 HydrophobicContact CE-CD1 3.35Å; M135-Y200 HydrophobicContact CE-CD2 4.42Å; M135-Y200 HydrophobicContact CE-CE1 4.02Å; M135-Y200 HydrophobicContact CE-CG 3.57Å
136P84.8Confident83.4Confident52 Ų5264 Ų6434%0.33832%0.317SS..EExtended strand (participates in β ladder)trans-63.9159.1174.427.9-34.3000111.3L138 A159 I194P136-L138 HydrophobicContact CG-CD1 4.25Å; P136-L138 HydrophobicContact CG-CD2 4.44Å; P136-L138 HydrophobicContact CG-CG 4.27Å; P136-L138 WeakPolarHBondContact O-CD1 3.45Å; P136-L138 WeakPolarHBondContact O-CG 3.49Å; P136-L138 PolarHBondContact O-N 3.41Å; P136-A159 HydrophobicContact CB-CB 4.39Å; P136-I194 HydrophobicContact CG-CD1 4.2Å
137I90Very high83.3Confident2 Ų262 Ų621%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-69.4116.2175.5-54.5-62.2000109.3I127 K128 A159 I160 A176I127-I137 HydrophobicContact CB-CG2 4.1Å; I127-I137 HydrophobicContact CD1-CG2 3.83Å; I127-I137 HydrophobicContact CG2-CG2 4.27Å; K128-I137 WeakPolarHBondContact O-CA 3.29Å; I137-A159 CarbonylContact O-C 3.54Å; I137-A159 VanDerWaalsContact O-CA 3.25Å; I137-A159 WeakPolarHBondContact O-CA 3.46Å; I137-I160 HydrophobicContact CG2-CB 4.31Å; I137-I160 HydrophobicContact CG2-CD1 4.32Å; I137-I160 PolarHBondContact O-N 3.33Å; I137-A176 HydrophobicContact CB-CB 4.43Å; I137-A176 HydrophobicContact CD1-CB 3.55Å; I137-A176 HydrophobicContact CG1-CB 3.68Å; I137-A176 HydrophobicContact CG2-CB 3.93Å
138L89.1Confident83.2Confident5 Ų561.2 Ų61.23%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-122.5143.8-171.9-67.3151.4000112.3I127 K128 M135 P136 S140 D158 A159 V197I127-L138 CarbonylContact C-O 3.5Å; I127-L138 WeakPolarHBondContact CA-O 3.25Å; K128-L138 PolarHBondContact N-O 2.86Å; K128-L138 PolarHBondContact O-N 3.3Å; M135-L138 HydrophobicContact CG-CD1 3.75Å; M135-L138 HydrophobicContact SD-CD1 3.8Å; P136-L138 HydrophobicContact CG-CD1 4.25Å; P136-L138 HydrophobicContact CG-CD2 4.44Å; P136-L138 HydrophobicContact CG-CG 4.27Å; P136-L138 WeakPolarHBondContact O-CD1 3.45Å; P136-L138 WeakPolarHBondContact O-CG 3.49Å; P136-L138 PolarHBondContact O-N 3.41Å; L138-S140 PolarHBondContact O-N 3.06Å; L138-D158 CarbonylContact C-O 3.55Å; L138-D158 WeakPolarHBondContact CA-O 3.37Å; L138-A159 HydrophobicContact CD2-CB 3.76Å; L138-V197 HydrophobicContact CD1-CB 4.33Å; L138-V197 HydrophobicContact CD1-CG1 3.46Å; L138-V197 VanDerWaalsContact CD1-CG1 3.46Å; L138-V197 HydrophobicContact CD2-CB 4.46Å; L138-V197 HydrophobicContact CD2-CG1 4.43Å; L138-V197 HydrophobicContact CD2-CG2 4.5Å
139I89.5Confident83.3Confident0 Ų059.2 Ų59.20%030%0.295CS..EExtended strand (participates in β ladder)trans-77.1109.6171.9-56.4-177.9000109.3I125 I142 L154 L156 G157 D158 I160I125-I139 HydrophobicContact CB-CG2 4.3Å; I125-I139 HydrophobicContact CD1-CD1 4.32Å; I125-I139 HydrophobicContact CD1-CG1 4.39Å; I125-I139 HydrophobicContact CG2-CG2 4.35Å; I139-I142 HydrophobicContact CG2-CD1 4.31Å; I139-I142 HydrophobicContact CG2-CG1 3.76Å; I139-L154 HydrophobicContact CD1-CB 4.09Å; I139-L154 HydrophobicContact CD1-CD1 4.13Å; I139-L154 HydrophobicContact CD1-CD2 3.99Å; I139-L154 HydrophobicContact CD1-CG 4.3Å; I139-L156 HydrophobicContact CG2-CD2 4.48Å; I139-G157 PolarHBondContact O-N 2.95Å; I139-D158 HydrophobicContact CD1-CB 4.03Å; I139-D158 HydrophobicContact CG1-CB 4.34Å; I139-D158 PolarHBondContact N-O 2.95Å; I139-I160 HydrophobicContact CD1-CD1 4.46Å; I139-I160 HydrophobicContact CD1-CG1 4.38Å; I139-I160 HydrophobicContact CG1-CD1 4.05Å; I139-I160 HydrophobicContact CG1-CG1 4.05Å
140S81.8Confident83.2Confident21 Ų2164.6 Ų64.615%0.14732%0.318CS..EExtended strand (participates in β ladder)trans-94-27.6-178.570.80000113.8S126 L138S126-S140 PolarHBondContact O-N 2.72Å; S126-S140 PolarHBondContact O-OG 3.17Å; S126-S140 PolarHBondContact OG-OG 3.35Å; L138-S140 PolarHBondContact O-N 3.06Å
141K82.4Confident83.2Confident114 Ų11466.6 Ų66.650%0.49633%0.331SS..EExtended strand (participates in β ladder)trans-149.7143.8176.1-164.6172.9-178.9175.60110.2I125 S126 F143 L156I125-K141 CarbonylContact C-O 3.54Å; I125-K141 WeakPolarHBondContact CA-O 3.47Å; S126-K141 PolarHBondContact N-O 3.02Å; S126-K141 PolarHBondContact O-N 3.09Å; K141-F143 HydrophobicContact CD-CE1 4.28Å; K141-F143 HydrophobicContact CD-CZ 4.37Å; K141-L156 VanDerWaalsContact CA-CD2 3.48Å
142I85Confident83.1Confident30 Ų3069.2 Ų69.215%0.15434%0.341CS..EExtended strand (participates in β ladder)trans-116.5128.5167.8-60.5174.5000106I125 I139 A148 D149 L154 L156I125-I142 HydrophobicContact CG2-CG1 4.23Å; I139-I142 HydrophobicContact CG2-CD1 4.31Å; I139-I142 HydrophobicContact CG2-CG1 3.76Å; I142-A148 HydrophobicContact CG2-CB 4.14Å; I142-D149 HydrophobicContact CG2-CB 3.83Å; I142-L154 HydrophobicContact CD1-CB 4.06Å; I142-L154 WeakPolarHBondContact CD1-O 3.2Å; I142-L156 HydrophobicContact CD1-CD2 4.49Å; I142-L156 HydrophobicContact CG1-CD2 4.03Å
143F83Confident83.3Confident82 Ų8266.1 Ų66.136%0.3633%0.333SS..  trans-86.4125.7-177.8-71.5-83.9000109.9G124 K141 L146 D149G124-F143 WeakPolarHBondContact O-CD2 3.34Å; G124-F143 PolarHBondContact O-N 3.08Å; K141-F143 HydrophobicContact CD-CE1 4.28Å; K141-F143 HydrophobicContact CD-CZ 4.37Å; F143-L146 HydrophobicContact CB-CD1 3.73Å; F143-L146 HydrophobicContact CB-CG 4.17Å; F143-L146 HydrophobicContact CG-CD1 4.42Å; F143-L146 PolarHBondContact O-N 3.09Å; F143-D149 WeakPolarHBondContact O-CB 3.45Å
144P81.9Confident83.8Confident107 Ų10761.7 Ų61.770%0.69531%0.309SS*.THydrogen-bonded Turntrans-62.7140.4-17626.1-33.8000111.2L146 D149P144-L146 VanDerWaalsContact C-N 3.29Å; P144-L146 PolarHBondContact O-N 3.13Å; P144-D149 WeakPolarHBondContact CA-OD2 3.38Å
145G79.6Confident84.1Confident41 Ų4156.9 Ų56.942%0.42329%0.291SS..THydrogen-bonded Turntrans80.9-4.8177.800000116Q118 D149 Q150Q118-G145 PolarHBondContact NE2-O 3.45Å; G145-D149 PolarHBondContact N-OD2 3.45Å; G145-Q150 PolarHBondContact O-NE2 3Å
146L86.6Confident84.3Confident54 Ų5459.5 Ų59.528%0.28331%0.305SS..SBendtrans-92.9171.8176.1-61.7-171.1000112.6F143 P144 A148 D149 Q150F143-L146 HydrophobicContact CB-CD1 3.73Å; F143-L146 HydrophobicContact CB-CG 4.17Å; F143-L146 HydrophobicContact CG-CD1 4.42Å; F143-L146 PolarHBondContact O-N 3.09Å; P144-L146 VanDerWaalsContact C-N 3.29Å; P144-L146 PolarHBondContact O-N 3.13Å; L146-A148 VanDerWaalsContact C-N 3.3Å; L146-A148 PolarHBondContact O-N 3.01Å; L146-D149 PolarHBondContact O-N 3.35Å; L146-Q150 WeakPolarHBondContact O-CG 3.29Å; L146-Q150 PolarHBondContact O-N 3.27Å
147A83.9Confident84Confident5 Ų557.4 Ų57.44%0.04129%0.293CS..Hα-helixtrans-50.9-42.8-173.600000114.3V115 V116 S151V115-A147 HydrophobicContact CG1-CB 3.81Å; V116-A147 VanDerWaalsContact O-CB 3.31Å; V116-A147 WeakPolarHBondContact O-CB 3.27Å; A147-S151 WeakPolarHBondContact O-CB 3.49Å; A147-S151 PolarHBondContact O-N 2.94Å
148A85.6Confident84Confident1 Ų157.3 Ų57.31%0.00829%0.292CS..Hα-helixtrans-66.1-3917700000113.7L123 I125 I142 L146 S151 L154L123-A148 WeakPolarHBondContact O-CB 3.3Å; L123-A148 PolarHBondContact O-N 3.23Å; I125-A148 HydrophobicContact CG2-CB 3.31Å; I142-A148 HydrophobicContact CG2-CB 4.14Å; L146-A148 VanDerWaalsContact C-N 3.3Å; L146-A148 PolarHBondContact O-N 3.01Å; A148-S151 PolarHBondContact O-OG 3.25Å; A148-L154 HydrophobicContact CB-CD1 3.91Å
149D85.2Confident84Confident68 Ų6857 Ų5736%0.36429%0.291SS..Hα-helixtrans-70.4-44.5177.8-17551.3000111.3I142 F143 P144 G145 L146 S151 R152I142-D149 HydrophobicContact CG2-CB 3.83Å; F143-D149 WeakPolarHBondContact O-CB 3.45Å; P144-D149 WeakPolarHBondContact CA-OD2 3.38Å; G145-D149 PolarHBondContact N-OD2 3.45Å; L146-D149 PolarHBondContact O-N 3.35Å; D149-S151 VanDerWaalsContact C-N 3.26Å; D149-S151 PolarHBondContact O-N 2.93Å; D149-R152 WeakPolarHBondContact O-CG 3.49Å; D149-R152 PolarHBondContact O-N 3.22Å
150Q82.6Confident84.1Confident121 Ų12157.2 Ų57.257%0.56529%0.292SS*.Hα-helixtrans-62.1-34.1177-68.3-179.6-1.200112.5G145 L146 R152G145-Q150 PolarHBondContact O-NE2 3Å; L146-Q150 WeakPolarHBondContact O-CG 3.29Å; L146-Q150 PolarHBondContact O-N 3.27Å; Q150-R152 PolarHBondContact O-N 3.01Å
151S81.6Confident84.5Confident41 Ų4157.4 Ų57.429%0.28729%0.291SS..Hα-helixtrans-63.9-25.917679.40000113.1A147 A148 D149 A153A147-S151 WeakPolarHBondContact O-CB 3.49Å; A147-S151 PolarHBondContact O-N 2.94Å; A148-S151 PolarHBondContact O-OG 3.25Å; D149-S151 VanDerWaalsContact C-N 3.26Å; D149-S151 PolarHBondContact O-N 2.93Å; S151-A153 PolarHBondContact O-N 2.77Å; S151-A153 PolarHBondContact OG-N 3.36Å
152R81.7Confident84.9Confident221 Ų22152.4 Ų52.483%0.83427%0.27SS*.  trans49.18.9-172.8-63.1-172176.1-178.20.6115.7D149 Q150D149-R152 WeakPolarHBondContact O-CG 3.49Å; D149-R152 PolarHBondContact O-N 3.22Å; Q150-R152 PolarHBondContact O-N 3.01Å
153A81.6Confident85.3Confident33 Ų3351.1 Ų51.127%0.27326%0.264SS..  trans-94-26.1-172.800000111.9R111 V113 S151R111-A153 PolarHBondContact NH1-O 3.28Å; V113-A153 HydrophobicContact CB-CB 4.33Å; V113-A153 HydrophobicContact CG1-CB 3.38Å; V113-A153 HydrophobicContact CG2-CB 4.03Å; S151-A153 PolarHBondContact O-N 2.77Å; S151-A153 PolarHBondContact OG-N 3.36Å
154L86.3Confident85.5Confident8 Ų850.7 Ų50.74%0.04227%0.265CS..  trans-88.7143.9173.5-61.3177.8000111.1V113 V115 I125 I139 I142 A148 L189 V191V113-L154 HydrophobicContact CB-CD2 4.06Å; V113-L154 HydrophobicContact CG1-CD2 3.86Å; V113-L154 HydrophobicContact CG1-CG 4.04Å; V113-L154 HydrophobicContact CG2-CD2 4.18Å; V115-L154 HydrophobicContact CG2-CD1 4.14Å; I125-L154 HydrophobicContact CG2-CD1 4.09Å; I139-L154 HydrophobicContact CD1-CB 4.09Å; I139-L154 HydrophobicContact CD1-CD1 4.13Å; I139-L154 HydrophobicContact CD1-CD2 3.99Å; I139-L154 HydrophobicContact CD1-CG 4.3Å; I142-L154 HydrophobicContact CD1-CB 4.06Å; I142-L154 WeakPolarHBondContact CD1-O 3.2Å; A148-L154 HydrophobicContact CB-CD1 3.91Å; L154-L189 HydrophobicContact CD1-CD1 3.75Å; L154-L189 HydrophobicContact CD2-CD1 3.88Å; L154-L189 HydrophobicContact CG-CD1 4.39Å; L154-V191 HydrophobicContact CD2-CG1 3.94Å; L154-V191 HydrophobicContact CD2-CG2 4.31Å
155R84.4Confident85.5Confident146 Ų14648.9 Ų48.955%0.55127%0.266SS*.  trans-128.1153.6179-59.8-179.9-176.3-179.21.1110.5G157 D158R155-G157 PolarHBondContact O-N 3.47Å; R155-D158 PolarHBondContact N-OD2 3.44Å; R155-D158 VanDerWaalsContact O-CB 3.32Å; R155-D158 WeakPolarHBondContact O-CB 3.3Å; R155-D158 PolarHBondContact O-N 3.38Å
156L83.3Confident86Confident98 Ų9850.9 Ų50.951%0.51327%0.27SS..THydrogen-bonded Turntrans-61.9135.1170.1-62.3178.2000109.9I139 K141 I142 D158I139-L156 HydrophobicContact CG2-CD2 4.48Å; K141-L156 VanDerWaalsContact CA-CD2 3.48Å; I142-L156 HydrophobicContact CD1-CD2 4.49Å; I142-L156 HydrophobicContact CG1-CD2 4.03Å; L156-D158 VanDerWaalsContact C-N 3.35Å
157G79.9Confident86.1Confident7 Ų752.5 Ų52.57%0.07228%0.279CS..THydrogen-bonded Turntrans83.75.1-175.500000114.9I139 R155 I194I139-G157 PolarHBondContact O-N 2.95Å; R155-G157 PolarHBondContact O-N 3.47Å; G157-I194 PolarHBondContact O-N 3.32Å
158D88.9Confident86.4Confident0 Ų052.4 Ų52.40%028%0.278CS..EExtended strand (participates in β ladder)trans-68.9128.8167.4-82.1-24.6000110.9R111 L138 I139 R155 L156 V191 F193R111-D158 IonicContact CZ-OD1 2.65Å; R111-D158 IonicContact CZ-OD2 3.33Å; R111-D158 IonicContact NH2-OD1 3.74Å; R111-D158 PolarHBondContact NH2-OD1 2.9Å; R111-D158 IonicContact NH2-OD2 3.29Å; R111-D158 PolarHBondContact NH2-OD2 3.42Å; L138-D158 CarbonylContact C-O 3.55Å; L138-D158 WeakPolarHBondContact CA-O 3.37Å; I139-D158 HydrophobicContact CD1-CB 4.03Å; I139-D158 HydrophobicContact CG1-CB 4.34Å; I139-D158 PolarHBondContact N-O 2.95Å; R155-D158 PolarHBondContact N-OD2 3.44Å; R155-D158 VanDerWaalsContact O-CB 3.32Å; R155-D158 WeakPolarHBondContact O-CB 3.3Å; R155-D158 PolarHBondContact O-N 3.38Å; L156-D158 VanDerWaalsContact C-N 3.35Å; D158-V191 HydrophobicContact CB-CB 4.14Å; D158-F193 VanDerWaalsContact OD1-CA 3.29Å; D158-F193 WeakPolarHBondContact OD1-CA 3.36Å; D158-F193 WeakPolarHBondContact OD1-CB 3.48Å
159A89.4Confident86.4Confident0 Ų059.3 Ų59.30%030%0.304CS..EExtended strand (participates in β ladder)trans-86.1125.9168.100000109.9P136 I137 L138 L161 V191 K192 I194P136-A159 HydrophobicContact CB-CB 4.39Å; I137-A159 CarbonylContact O-C 3.54Å; I137-A159 VanDerWaalsContact O-CA 3.25Å; I137-A159 WeakPolarHBondContact O-CA 3.46Å; L138-A159 HydrophobicContact CD2-CB 3.76Å; A159-L161 PolarHBondContact O-N 2.81Å; A159-V191 CarbonylContact O-C 3.59Å; A159-V191 WeakPolarHBondContact O-CA 3.34Å; A159-K192 PolarHBondContact N-O 3.22Å; A159-K192 PolarHBondContact O-N 2.81Å; A159-I194 HydrophobicContact CB-CD1 3.38Å; A159-I194 HydrophobicContact CB-CG1 3.79Å
160I92.1Very high86.3Confident3 Ų362.2 Ų62.22%0.01532%0.315CS..EExtended strand (participates in β ladder)trans-82.1111175.6-52.5177.4000107.7I125 I127 I137 I139 V163 L168 L180 L189 V191I125-I160 HydrophobicContact CD1-CD1 4.04Å; I127-I160 HydrophobicContact CG2-CD1 3.77Å; I137-I160 HydrophobicContact CG2-CB 4.31Å; I137-I160 HydrophobicContact CG2-CD1 4.32Å; I137-I160 PolarHBondContact O-N 3.33Å; I139-I160 HydrophobicContact CD1-CD1 4.46Å; I139-I160 HydrophobicContact CD1-CG1 4.38Å; I139-I160 HydrophobicContact CG1-CD1 4.05Å; I139-I160 HydrophobicContact CG1-CG1 4.05Å; I160-V163 HydrophobicContact CG2-CG2 3.83Å; I160-L168 HydrophobicContact CG2-CD1 4.08Å; I160-L180 HydrophobicContact CD1-CD1 4.25Å; I160-L189 HydrophobicContact CG2-CD2 4.17Å; I160-V191 HydrophobicContact CG1-CG1 4.32Å
161L90.5Very high86.4Confident26 Ų2657 Ų5714%0.13629%0.292CS..EExtended strand (participates in β ladder)trans-86.1-41.3178.7-58179.5000111.1V110 A159 L168 R169 E190 K192V110-L161 HydrophobicContact CB-CD1 4.48Å; V110-L161 HydrophobicContact CG1-CD1 3.92Å; V110-L161 HydrophobicContact CG2-CD1 3.74Å; A159-L161 PolarHBondContact O-N 2.81Å; L161-L168 PolarHBondContact O-N 2.91Å; L161-R169 HydrophobicContact CD2-CG 4.13Å; L161-E190 WeakPolarHBondContact CA-O 3.44Å; L161-E190 HydrophobicContact CB-CB 4.32Å; L161-E190 WeakPolarHBondContact CB-O 3.35Å; L161-E190 PolarHBondContact N-O 2.9Å; L161-K192 HydrophobicContact CD1-CB 3.95Å; L161-K192 HydrophobicContact CG-CB 4.39Å
162S90.7Very high86.8Confident8 Ų857.1 Ų57.16%0.05629%0.291CS..EExtended strand (participates in β ladder)trans-149.7155.9177.972.80000112.6T166 L189 E190S162-T166 CarbonylContact C-O 3.56Å; S162-T166 WeakPolarHBondContact CA-O 3.49Å; S162-T166 VanDerWaalsContact CB-O 3.26Å; S162-T166 WeakPolarHBondContact CB-O 3.47Å; S162-L189 WeakPolarHBondContact O-CA 3.49Å; S162-E190 PolarHBondContact N-O 2.88Å; S162-E190 PolarHBondContact O-N 3.18Å; S162-E190 VanDerWaalsContact OG-CB 3.26Å; S162-E190 WeakPolarHBondContact OG-CB 3.4Å; S162-E190 VanDerWaalsContact OG-CG 3.3Å; S162-E190 WeakPolarHBondContact OG-CG 3.39Å; S162-E190 PolarHBondContact OG-OE2 3.25Å
163V92.3Very high87.1Confident3 Ų349.3 Ų49.32%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-129.7119.1176.3-178.90000108.8I160 G165 T166 L168 L180 A183 V187 L188 L189I160-V163 HydrophobicContact CG2-CG2 3.83Å; V163-G165 PolarHBondContact O-N 3.07Å; V163-G165 VanDerWaalsContact O-N 3.14Å; V163-T166 PolarHBondContact N-O 3.13Å; V163-T166 VanDerWaalsContact O-CB 3.29Å; V163-T166 WeakPolarHBondContact O-CB 3.41Å; V163-T166 PolarHBondContact O-N 3.15Å; V163-T166 PolarHBondContact O-OG1 3.16Å; V163-L168 HydrophobicContact CB-CD1 4.34Å; V163-L168 HydrophobicContact CG2-CD1 3.4Å; V163-L168 VanDerWaalsContact CG2-CD1 3.4Å; V163-L168 HydrophobicContact CG2-CG 4.27Å; V163-L180 HydrophobicContact CG1-CD2 4.15Å; V163-L180 HydrophobicContact CG2-CD2 3.64Å; V163-L180 HydrophobicContact CG2-CG 4.17Å; V163-A183 HydrophobicContact CG1-CB 4.01Å; V163-V187 HydrophobicContact CG1-CG1 3.8Å; V163-L188 CarbonylContact C-O 3.52Å; V163-L188 WeakPolarHBondContact CA-O 3.21Å; V163-L189 HydrophobicContact CB-CD2 4.33Å; V163-L189 HydrophobicContact CG1-CD2 4.23Å; V163-L189 HydrophobicContact CG2-CD2 3.67Å
164N88.3Confident87.3Confident74 Ų7453 Ų5340%0.39628%0.279SS..THydrogen-bonded Turntrans48.838.7-178.4-70.1-6.5000113.1T166 E186 V187 L188N164-T166 VanDerWaalsContact C-N 3.3Å; N164-T166 PolarHBondContact O-N 3.22Å; N164-E186 PolarHBondContact ND2-O 3.33Å; N164-V187 WeakPolarHBondContact OD1-CA 3.09Å; N164-L188 PolarHBondContact N-O 2.87Å; N164-L188 PolarHBondContact OD1-N 3.36Å
165G81.9Confident87.3Confident69 Ų6957.4 Ų57.471%0.71130%0.3SS*.THydrogen-bonded Turntrans82.1-3.7-177.500000115.5V163V163-G165 PolarHBondContact O-N 3.07Å; V163-G165 VanDerWaalsContact O-N 3.14Å
166T88.9Confident87.5Confident82 Ų8250.5 Ų50.550%0.50327%0.274SS..EExtended strand (participates in β ladder)trans-84117.8172.6-54.20000109.9S162 V163 N164 L168S162-T166 CarbonylContact C-O 3.56Å; S162-T166 WeakPolarHBondContact CA-O 3.49Å; S162-T166 VanDerWaalsContact CB-O 3.26Å; S162-T166 WeakPolarHBondContact CB-O 3.47Å; V163-T166 PolarHBondContact N-O 3.13Å; V163-T166 VanDerWaalsContact O-CB 3.29Å; V163-T166 WeakPolarHBondContact O-CB 3.41Å; V163-T166 PolarHBondContact O-N 3.15Å; V163-T166 PolarHBondContact O-OG1 3.16Å; N164-T166 VanDerWaalsContact C-N 3.3Å; N164-T166 PolarHBondContact O-N 3.22Å; T166-L168 HydrophobicContact CG2-CD2 4.5Å
167D89.2Confident87.8Confident88 Ų8847.7 Ų47.747%0.47126%0.261SS..EExtended strand (participates in β ladder)trans-71.8130.3179.2-166.939.8000111.3R169D167-R169 WeakPolarHBondContact OD1-CD 3.43Å; D167-R169 VanDerWaalsContact OD1-CG 3.28Å; D167-R169 WeakPolarHBondContact OD1-CG 3.47Å; D167-R169 IonicContact OD1-CZ 3.52Å; D167-R169 IonicContact OD1-NE 2.74Å; D167-R169 PolarHBondContact OD1-NE 3.47Å; D167-R169 IonicContact OD2-NE 3.55Å
168L89.6Confident88.1Confident4 Ų452.5 Ų52.52%0.02128%0.281CS..  trans-113.93.8-177.6-64.8-170.9000113.4I160 L161 V163 T166 Q170 A171 A176 A179I160-L168 HydrophobicContact CG2-CD1 4.08Å; L161-L168 PolarHBondContact O-N 2.91Å; V163-L168 HydrophobicContact CB-CD1 4.34Å; V163-L168 HydrophobicContact CG2-CD1 3.4Å; V163-L168 VanDerWaalsContact CG2-CD1 3.4Å; V163-L168 HydrophobicContact CG2-CG 4.27Å; T166-L168 HydrophobicContact CG2-CD2 4.5Å; L168-Q170 PolarHBondContact O-N 2.95Å; L168-Q170 VanDerWaalsContact O-N 3.15Å; L168-A171 HydrophobicContact CB-CB 4.18Å; L168-A171 HydrophobicContact CD2-CB 3.75Å; L168-A171 PolarHBondContact O-N 3.17Å; L168-A171 VanDerWaalsContact O-N 3.16Å; L168-A176 HydrophobicContact CD1-CB 4.02Å; L168-A179 HydrophobicContact CD1-CB 4.45Å; L168-A179 HydrophobicContact CD2-CB 3.99Å
169R86.3Confident88Confident146 Ų14653.1 Ų53.155%0.55129%0.286SS*.THydrogen-bonded Turntrans-57.5-31.2-178.4-66.3171.9-150.9-155.40.7113.8L161 D167L161-R169 HydrophobicContact CD2-CG 4.13Å; D167-R169 WeakPolarHBondContact OD1-CD 3.43Å; D167-R169 VanDerWaalsContact OD1-CG 3.28Å; D167-R169 WeakPolarHBondContact OD1-CG 3.47Å; D167-R169 IonicContact OD1-CZ 3.52Å; D167-R169 IonicContact OD1-NE 2.74Å; D167-R169 PolarHBondContact OD1-NE 3.47Å; D167-R169 IonicContact OD2-NE 3.55Å
170Q83Confident87.9Confident129 Ų12954 Ų5460%0.60329%0.291SS*.THydrogen-bonded Turntrans-118.112.5-179.6-64.8-67.2-17.900112.6R131 L168R131-Q170 VanDerWaalsContact CD-O 3.31Å; R131-Q170 WeakPolarHBondContact CD-O 3.43Å; L168-Q170 PolarHBondContact O-N 2.95Å; L168-Q170 VanDerWaalsContact O-N 3.15Å
171A85.5Confident87.5Confident10 Ų1061.5 Ų61.58%0.08332%0.324CS..  trans-76.9150.9-179.100000111.6R131 L168 Q175R131-A171 PolarHBondContact N-O 2.85Å; L168-A171 HydrophobicContact CB-CB 4.18Å; L168-A171 HydrophobicContact CD2-CB 3.75Å; L168-A171 PolarHBondContact O-N 3.17Å; L168-A171 VanDerWaalsContact O-N 3.16Å; A171-Q175 HydrophobicContact CB-CB 4.09Å
172T88.9Confident87.2Confident44 Ų4469.3 Ų69.327%0.2735%0.351SS..  trans-74.3163.9168.164.80000111.3E132 D174 Q175 A176E132-T172 WeakPolarHBondContact OE2-CA 3.31Å; E132-T172 WeakPolarHBondContact OE2-CB 3.36Å; T172-D174 VanDerWaalsContact C-N 3.29Å; T172-D174 PolarHBondContact O-N 3.43Å; T172-Q175 PolarHBondContact O-N 3.47Å; T172-Q175 VanDerWaalsContact OG1-CG 3.25Å; T172-Q175 WeakPolarHBondContact OG1-CG 3.38Å; T172-Q175 PolarHBondContact OG1-N 3.41Å; T172-A176 PolarHBondContact O-N 3.3Å
173H87.4Confident86.6Confident58 Ų5869.3 Ų69.327%0.26935%0.351SS..Hα-helixtrans-52.5-48.9175.8-176.476.8000112.1I127 G129 E132 Q175 A176 V177I127-H173 PolarHBondContact O-CE1 3.45Å; G129-H173 WeakPolarHBondContact O-CB 3.44Å; G129-H173 PolarHBondContact O-ND1 3.14Å; E132-H173 WeakPolarHBondContact OE1-CB 3.28Å; E132-H173 PolarHBondContact OE1-N 2.78Å; E132-H173 PolarHBondContact OE2-N 2.78Å; H173-Q175 PolarHBondContact O-N 3.19Å; H173-A176 WeakPolarHBondContact O-CB 3.36Å; H173-A176 PolarHBondContact O-N 3.45Å; H173-V177 WeakPolarHBondContact O-CG2 3.44Å; H173-V177 PolarHBondContact O-N 3.37Å
174D86.7Confident85.9Confident109 Ų10971.3 Ų71.358%0.58337%0.373SS*.Hα-helixtrans-64.7-38.7-178.4-67.1-31.9000112.4T172 A176 V177 Q178T172-D174 VanDerWaalsContact C-N 3.29Å; T172-D174 PolarHBondContact O-N 3.43Å; D174-A176 VanDerWaalsContact C-N 3.32Å; D174-A176 PolarHBondContact O-N 2.84Å; D174-V177 PolarHBondContact O-N 3.1Å; D174-Q178 WeakPolarHBondContact O-CB 3.32Å; D174-Q178 VanDerWaalsContact O-CG 3.3Å; D174-Q178 WeakPolarHBondContact O-CG 3.47Å; D174-Q178 PolarHBondContact O-N 3.4Å
175Q86.8Confident85.5Confident102 Ų10273.8 Ų73.848%0.47738%0.38SS..Hα-helixtrans-63.1-39.9175.6-75.2173-13.700111.6A171 T172 H173 Q178 A179A171-Q175 HydrophobicContact CB-CB 4.09Å; T172-Q175 PolarHBondContact O-N 3.47Å; T172-Q175 VanDerWaalsContact OG1-CG 3.25Å; T172-Q175 WeakPolarHBondContact OG1-CG 3.38Å; T172-Q175 PolarHBondContact OG1-N 3.41Å; H173-Q175 PolarHBondContact O-N 3.19Å; Q175-Q178 PolarHBondContact O-N 3.08Å; Q175-A179 WeakPolarHBondContact O-CB 3.26Å; Q175-A179 PolarHBondContact O-N 2.95Å
176A88.4Confident85.7Confident0 Ų074.8 Ų74.80%037%0.366CS..Hα-helixtrans-66.9-42175.900000112.2I127 I137 L168 T172 H173 D174 Q178 A179 L180I127-A176 HydrophobicContact CD1-CB 3.92Å; I137-A176 HydrophobicContact CB-CB 4.43Å; I137-A176 HydrophobicContact CD1-CB 3.55Å; I137-A176 HydrophobicContact CG1-CB 3.68Å; I137-A176 HydrophobicContact CG2-CB 3.93Å; L168-A176 HydrophobicContact CD1-CB 4.02Å; T172-A176 PolarHBondContact O-N 3.3Å; H173-A176 WeakPolarHBondContact O-CB 3.36Å; H173-A176 PolarHBondContact O-N 3.45Å; D174-A176 VanDerWaalsContact C-N 3.32Å; D174-A176 PolarHBondContact O-N 2.84Å; A176-Q178 VanDerWaalsContact C-N 3.34Å; A176-Q178 PolarHBondContact O-N 2.98Å; A176-A179 PolarHBondContact O-N 2.8Å; A176-L180 WeakPolarHBondContact O-CG 3.48Å; A176-L180 PolarHBondContact O-N 3.46Å
177V88.7Confident85.7Confident40 Ų4070.9 Ų70.924%0.24234%0.342CS..Hα-helixtrans-60.8-44.6173.8173.50000110.6I127 H173 D174 L180 K181I127-V177 HydrophobicContact CD1-CG2 3.78Å; I127-V177 HydrophobicContact CG1-CG2 4.26Å; H173-V177 WeakPolarHBondContact O-CG2 3.44Å; H173-V177 PolarHBondContact O-N 3.37Å; D174-V177 PolarHBondContact O-N 3.1Å; V177-L180 PolarHBondContact O-N 3.14Å; V177-K181 HydrophobicContact CG1-CD 4.09Å; V177-K181 HydrophobicContact CG1-CG 4.47Å; V177-K181 WeakPolarHBondContact O-CB 3.38Å; V177-K181 WeakPolarHBondContact O-CG 3.46Å; V177-K181 PolarHBondContact O-N 2.85Å
178Q86.5Confident85.6Confident107 Ų10770.2 Ų70.250%0.534%0.338SS..Hα-helixtrans-63.8-41.8177.4-74.3-177.53.600112.1D174 Q175 A176 L180 K181 R182D174-Q178 WeakPolarHBondContact O-CB 3.32Å; D174-Q178 VanDerWaalsContact O-CG 3.3Å; D174-Q178 WeakPolarHBondContact O-CG 3.47Å; D174-Q178 PolarHBondContact O-N 3.4Å; Q175-Q178 PolarHBondContact O-N 3.08Å; A176-Q178 VanDerWaalsContact C-N 3.34Å; A176-Q178 PolarHBondContact O-N 2.98Å; Q178-L180 PolarHBondContact O-N 2.66Å; Q178-K181 PolarHBondContact O-N 2.64Å; Q178-R182 VanDerWaalsContact O-CB 3.26Å; Q178-R182 WeakPolarHBondContact O-CB 3.45Å; Q178-R182 PolarHBondContact O-N 3.37Å
179A87.1Confident85.7Confident13 Ų1370 Ų7011%0.10734%0.337CS..Hα-helixtrans-61.6-43.3176.600000111.9L168 Q175 A176 R182 A183L168-A179 HydrophobicContact CD1-CB 4.45Å; L168-A179 HydrophobicContact CD2-CB 3.99Å; Q175-A179 WeakPolarHBondContact O-CB 3.26Å; Q175-A179 PolarHBondContact O-N 2.95Å; A176-A179 PolarHBondContact O-N 2.8Å; A179-R182 PolarHBondContact O-N 2.9Å; A179-A183 WeakPolarHBondContact O-CB 3.44Å; A179-A183 PolarHBondContact O-N 2.56Å
180L86.8Confident85.9Confident18 Ų1864.8 Ų64.89%0.09432%0.319CS..Hα-helixtrans-68.7-33.5177.1-70167.7000113.1K117 L123 I125 I127 I160 V163 A176 V177 Q178 L189K117-L180 PolarHBondContact NZ-O 2.95Å; L123-L180 HydrophobicContact CD2-CD2 3.85Å; I125-L180 HydrophobicContact CD1-CD1 4.47Å; I127-L180 HydrophobicContact CD1-CD1 3.83Å; I127-L180 HydrophobicContact CG1-CD1 4.47Å; I127-L180 HydrophobicContact CG2-CD1 4.08Å; I160-L180 HydrophobicContact CD1-CD1 4.25Å; V163-L180 HydrophobicContact CG1-CD2 4.15Å; V163-L180 HydrophobicContact CG2-CD2 3.64Å; V163-L180 HydrophobicContact CG2-CG 4.17Å; A176-L180 WeakPolarHBondContact O-CG 3.48Å; A176-L180 PolarHBondContact O-N 3.46Å; V177-L180 PolarHBondContact O-N 3.14Å; Q178-L180 PolarHBondContact O-N 2.66Å; L180-L189 HydrophobicContact CD2-CD2 3.83Å
181K85Confident86.3Confident162 Ų16258.7 Ų58.770%0.70429%0.29SS*.Hα-helixtrans-72.3-43.2174.6-77.3-178.1178.2-178.80112.1V177 Q178 A183V177-K181 HydrophobicContact CG1-CD 4.09Å; V177-K181 HydrophobicContact CG1-CG 4.47Å; V177-K181 WeakPolarHBondContact O-CB 3.38Å; V177-K181 WeakPolarHBondContact O-CG 3.46Å; V177-K181 PolarHBondContact O-N 2.85Å; Q178-K181 PolarHBondContact O-N 2.64Å; K181-A183 VanDerWaalsContact C-N 3.3Å; K181-A183 PolarHBondContact O-N 3.17Å
182R83.4Confident86.5Confident190 Ų19061.4 Ų61.472%0.71730%0.3SS*.Hα-helixtrans-70.6-25.5179.3-168.7-178.2-67.4121-0.8112.6Q178 A179 G184Q178-R182 VanDerWaalsContact O-CB 3.26Å; Q178-R182 WeakPolarHBondContact O-CB 3.45Å; Q178-R182 PolarHBondContact O-N 3.37Å; A179-R182 PolarHBondContact O-N 2.9Å; R182-G184 PolarHBondContact O-N 3.23Å
183A77.4Confident86.2Confident7 Ų762.3 Ų62.36%0.05830%0.301CS..SBendtrans-56.4125.517100000109.3K117 V163 A179 K181 V187K117-A183 WeakPolarHBondContact CE-O 3.43Å; K117-A183 PolarHBondContact NZ-O 3.02Å; V163-A183 HydrophobicContact CG1-CB 4.01Å; A179-A183 WeakPolarHBondContact O-CB 3.44Å; A179-A183 PolarHBondContact O-N 2.56Å; K181-A183 VanDerWaalsContact C-N 3.3Å; K181-A183 PolarHBondContact O-N 3.17Å; A183-V187 HydrophobicContact CB-CB 4.28Å; A183-V187 HydrophobicContact CB-CG1 3.87Å; A183-V187 HydrophobicContact CB-CG2 3.71Å
184G77.5Confident85.7Confident45 Ų4561.9 Ų61.946%0.46430%0.3SS..  trans-71.1-148.8-173.500000113.7K117 R182 E186K117-G184 WeakPolarHBondContact CD-O 3.21Å; K117-G184 WeakPolarHBondContact CE-O 3.32Å; R182-G184 PolarHBondContact O-N 3.23Å; G184-E186 PolarHBondContact O-N 2.81Å; G184-E186 VanDerWaalsContact O-N 3.15Å
185K81.3Confident84.5Confident127 Ų12766.1 Ų66.155%0.55231%0.307SS*.SBendtrans-56.7-28.7176.6-170169.9-173.1165.20112.1V116 K117 E119V116-K185 CarbonylContact C-O 3.58Å; V116-K185 WeakPolarHBondContact CA-O 3.48Å; V116-K185 HydrophobicContact CG1-CG 4.19Å; K117-K185 PolarHBondContact N-O 3.27Å; E119-K185 IonicContact OE1-NZ 2.83Å; E119-K185 PolarHBondContact OE1-NZ 2.71Å
186E84.9Confident83.2Confident90 Ų9069.4 Ų69.442%0.42132%0.323SS..EExtended strand (participates in β ladder)trans-115.6128.6178.6-171.6175.6155.900111.6R114 N164 G184R114-E186 WeakPolarHBondContact CD-OE1 3.22Å; R114-E186 HydrophobicContact CG-CG 4.12Å; R114-E186 IonicContact CZ-OE1 2.81Å; R114-E186 IonicContact CZ-OE2 3.91Å; R114-E186 IonicContact NE-OE1 3.06Å; R114-E186 PolarHBondContact NE-OE1 2.86Å; R114-E186 IonicContact NE-OE2 3.14Å; R114-E186 IonicContact NH2-OE1 2.69Å; R114-E186 PolarHBondContact NH2-OE1 2.93Å; R114-E186 IonicContact NH2-OE2 2.87Å; R114-E186 PolarHBondContact NH2-OE2 3.37Å; N164-E186 PolarHBondContact ND2-O 3.33Å; G184-E186 PolarHBondContact O-N 2.81Å; G184-E186 VanDerWaalsContact O-N 3.15Å
187V88.5Confident81.4Confident0 Ų070.2 Ų70.20%033%0.328CS..EExtended strand (participates in β ladder)trans-122.2115.2178.8-166.20000109.5V115 K117 L123 V163 N164 A183 L189V115-V187 PolarHBondContact N-O 2.82Å; V115-V187 PolarHBondContact O-N 2.84Å; K117-V187 HydrophobicContact CD-CG2 4.33Å; K117-V187 HydrophobicContact CG-CG2 4.19Å; L123-V187 HydrophobicContact CD1-CG2 4.46Å; V163-V187 HydrophobicContact CG1-CG1 3.8Å; N164-V187 WeakPolarHBondContact OD1-CA 3.09Å; A183-V187 HydrophobicContact CB-CB 4.28Å; A183-V187 HydrophobicContact CB-CG1 3.87Å; A183-V187 HydrophobicContact CB-CG2 3.71Å; V187-L189 HydrophobicContact CG1-CD2 3.71Å; V187-L189 HydrophobicContact CG1-CG 3.95Å
188L88.9Confident79.4Confident73 Ų7371.6 Ų71.638%0.38234%0.337SS..EExtended strand (participates in β ladder)trans-95.7117.2170.8-172.569000109R114 V163 N164R114-L188 HydrophobicContact CB-CD1 4.23Å; V163-L188 CarbonylContact C-O 3.52Å; V163-L188 WeakPolarHBondContact CA-O 3.21Å; N164-L188 PolarHBondContact N-O 2.87Å; N164-L188 PolarHBondContact OD1-N 3.36Å
189L91.6Very high77.6Confident0 Ų070.6 Ų70.60%034%0.339CS..EExtended strand (participates in β ladder)trans-111.3131.3-178.1-60.4169.1000109.4R112 V113 V115 L123 L154 I160 S162 V163 L180 V187 V191R112-L189 CarbonylContact C-O 3.58Å; R112-L189 WeakPolarHBondContact CA-O 3.35Å; V113-L189 HydrophobicContact CB-CB 4.44Å; V113-L189 PolarHBondContact N-O 3.35Å; V113-L189 PolarHBondContact O-N 2.89Å; V115-L189 HydrophobicContact CG2-CD1 4.36Å; L123-L189 HydrophobicContact CD2-CD1 4.45Å; L154-L189 HydrophobicContact CD1-CD1 3.75Å; L154-L189 HydrophobicContact CD2-CD1 3.88Å; L154-L189 HydrophobicContact CG-CD1 4.39Å; I160-L189 HydrophobicContact CG2-CD2 4.17Å; S162-L189 WeakPolarHBondContact O-CA 3.49Å; V163-L189 HydrophobicContact CB-CD2 4.33Å; V163-L189 HydrophobicContact CG1-CD2 4.23Å; V163-L189 HydrophobicContact CG2-CD2 3.67Å; L180-L189 HydrophobicContact CD2-CD2 3.83Å; V187-L189 HydrophobicContact CG1-CD2 3.71Å; V187-L189 HydrophobicContact CG1-CG 3.95Å; L189-V191 HydrophobicContact CB-CG1 4.06Å
190E90.3Very high75.7Confident37 Ų3777 Ų7717%0.17336%0.362CS..EExtended strand (participates in β ladder)trans-96.2118160.7-68.8-178.2152.300108.5V110 R111 R112 L161 S162V110-E190 HydrophobicContact CG1-CB 3.99Å; V110-E190 HydrophobicContact CG1-CG 4.5Å; R111-E190 CarbonylContact O-C 3.6Å; R111-E190 WeakPolarHBondContact O-CA 3.33Å; R112-E190 HydrophobicContact CG-CG 3.76Å; R112-E190 IonicContact CZ-OE1 2.71Å; R112-E190 VanDerWaalsContact CZ-OE1 3.24Å; R112-E190 IonicContact NE-OE1 3.6Å; R112-E190 PolarHBondContact NE-OE1 2.79Å; R112-E190 IonicContact NH2-OE1 3.78Å; R112-E190 PolarHBondContact NH2-OE1 2.95Å; L161-E190 WeakPolarHBondContact CA-O 3.44Å; L161-E190 HydrophobicContact CB-CB 4.32Å; L161-E190 WeakPolarHBondContact CB-O 3.35Å; L161-E190 PolarHBondContact N-O 2.9Å; S162-E190 PolarHBondContact N-O 2.88Å; S162-E190 PolarHBondContact O-N 3.18Å; S162-E190 VanDerWaalsContact OG-CB 3.26Å; S162-E190 WeakPolarHBondContact OG-CB 3.4Å; S162-E190 VanDerWaalsContact OG-CG 3.3Å; S162-E190 WeakPolarHBondContact OG-CG 3.39Å; S162-E190 PolarHBondContact OG-OE2 3.25Å
191V91Very high73.9Confident0 Ų079.6 Ų79.60%038%0.375CS..EExtended strand (participates in β ladder)trans-124.2144.3-177.1-59.40000111.7R111 V113 L154 D158 A159 I160 L189R111-V191 HydrophobicContact CB-CG2 3.99Å; R111-V191 PolarHBondContact N-O 2.91Å; R111-V191 PolarHBondContact O-N 3.03Å; V113-V191 HydrophobicContact CG2-CG2 3.94Å; L154-V191 HydrophobicContact CD2-CG1 3.94Å; L154-V191 HydrophobicContact CD2-CG2 4.31Å; D158-V191 HydrophobicContact CB-CB 4.14Å; A159-V191 CarbonylContact O-C 3.59Å; A159-V191 WeakPolarHBondContact O-CA 3.34Å; I160-V191 HydrophobicContact CG1-CG1 4.32Å; L189-V191 HydrophobicContact CB-CG1 4.06Å
192K88.7Confident71.9Confident68 Ų6877 Ų7730%0.29636%0.363SS..EExtended strand (participates in β ladder)trans-122.8128.3171.2-175.7176.9-177.2178.30109P108 V110 A159 L161 I194P108-K192 HydrophobicContact CG-CG 4.45Å; V110-K192 HydrophobicContact CG2-CB 4.48Å; A159-K192 PolarHBondContact N-O 3.22Å; A159-K192 PolarHBondContact O-N 2.81Å; L161-K192 HydrophobicContact CD1-CB 3.95Å; L161-K192 HydrophobicContact CG-CB 4.39Å; K192-I194 PolarHBondContact O-N 2.8Å
193F83.4Confident70Confident63 Ų6375.8 Ų75.828%0.27636%0.364SS..EExtended strand (participates in β ladder)trans-73.1117.1175.6-175.8-111.7000109.1P108 D158 R195P108-F193 HydrophobicContact CB-CB 4.45Å; P108-F193 WeakPolarHBondContact CG-O 3.32Å; D158-F193 VanDerWaalsContact OD1-CA 3.29Å; D158-F193 WeakPolarHBondContact OD1-CA 3.36Å; D158-F193 WeakPolarHBondContact OD1-CB 3.48Å; F193-R195 HydrophobicContact CD1-CG 3.85Å; F193-R195 HydrophobicContact CE1-CG 3.43Å; F193-R195 VanDerWaalsContact CE1-CG 3.43Å; F193-R195 HydrophobicContact CZ-CG 4.43Å
194I77.8Confident68.5Low48 Ų4879.9 Ų79.925%0.24639%0.389CS..  trans-106.8101.4179.7-44.9-174.7000109.5P136 G157 A159 K192 E196 V197P136-I194 HydrophobicContact CG-CD1 4.2Å; G157-I194 PolarHBondContact O-N 3.32Å; A159-I194 HydrophobicContact CB-CD1 3.38Å; A159-I194 HydrophobicContact CB-CG1 3.79Å; K192-I194 PolarHBondContact O-N 2.8Å; I194-E196 VanDerWaalsContact C-N 3.25Å; I194-E196 PolarHBondContact O-N 3.28Å; I194-V197 HydrophobicContact CB-CG2 3.65Å; I194-V197 HydrophobicContact CD1-CG2 4.38Å; I194-V197 HydrophobicContact CG2-CG2 3.37Å; I194-V197 PolarHBondContact O-N 3.18Å
195R61.4Low67.5Low198 Ų19878.8 Ų78.875%0.74738%0.375SS*.G310 helixtrans-59.7-33.2-180-80-179.7129.4-165.5-3.7113.2F193 V197 T198F193-R195 HydrophobicContact CD1-CG 3.85Å; F193-R195 HydrophobicContact CE1-CG 3.43Å; F193-R195 VanDerWaalsContact CE1-CG 3.43Å; F193-R195 HydrophobicContact CZ-CG 4.43Å; R195-V197 VanDerWaalsContact C-N 3.33Å; R195-V197 PolarHBondContact O-N 2.74Å; R195-T198 PolarHBondContact O-OG1 2.77Å
196E57.6Low66.5Low171 Ų17176.5 Ų76.580%0.79937%0.368SS*.G310 helixtrans-79.1-5.9-173.8-68.7176.2178.700114.6I194 P199I194-E196 VanDerWaalsContact C-N 3.25Å; I194-E196 PolarHBondContact O-N 3.28Å; E196-P199 WeakPolarHBondContact O-CD 3.37Å
197V50.5Low65.4Low17 Ų1772.3 Ų72.310%0.10335%0.348CS..G310 helixtrans-97.77.1-176.8-155.30000113.2L138 I194 R195 P199 Y200L138-V197 HydrophobicContact CD1-CB 4.33Å; L138-V197 HydrophobicContact CD1-CG1 3.46Å; L138-V197 VanDerWaalsContact CD1-CG1 3.46Å; L138-V197 HydrophobicContact CD2-CB 4.46Å; L138-V197 HydrophobicContact CD2-CG1 4.43Å; L138-V197 HydrophobicContact CD2-CG2 4.5Å; I194-V197 HydrophobicContact CB-CG2 3.65Å; I194-V197 HydrophobicContact CD1-CG2 4.38Å; I194-V197 HydrophobicContact CG2-CG2 3.37Å; I194-V197 PolarHBondContact O-N 3.18Å; R195-V197 VanDerWaalsContact C-N 3.33Å; R195-V197 PolarHBondContact O-N 2.74Å; V197-P199 VanDerWaalsContact C-N 3.26Å; V197-P199 WeakPolarHBondContact O-CD 3.46Å; V197-Y200 HydrophobicContact CB-CD2 4.31Å; V197-Y200 HydrophobicContact CG1-CD2 3.39Å; V197-Y200 HydrophobicContact CG1-CE2 4.09Å; V197-Y200 HydrophobicContact CG1-CG 4.12Å; V197-Y200 PolarHBondContact O-N 3.01Å; V197-Y200 VanDerWaalsContact O-N 3.13Å
198T48.6Very low64.2Low70 Ų7074.6 Ų74.643%0.42936%0.364SS..Hα-helixtrans-56.6-22.3172.2-42.60000115.4R195 Y200R195-T198 PolarHBondContact O-OG1 2.77Å; T198-Y200 VanDerWaalsContact C-N 3.35Å
199P46.9Very low62.9Low85 Ų8575.7 Ų75.755%0.55237%0.371SS*.Hα-helixtrans-68.5-29.2173.1-18.731.7000113.8E196 V197E196-P199 WeakPolarHBondContact O-CD 3.37Å; V197-P199 VanDerWaalsContact C-N 3.26Å; V197-P199 WeakPolarHBondContact O-CD 3.46Å
200Y47.5Very low61.9Low149 Ų14976.4 Ų76.458%0.58438%0.375SS*.Hα-helixtrans-88.2-10.4-170.5-56.8-86.5000113.9M135 V197 T198M135-Y200 HydrophobicContact CE-CD1 3.35Å; M135-Y200 HydrophobicContact CE-CD2 4.42Å; M135-Y200 HydrophobicContact CE-CE1 4.02Å; M135-Y200 HydrophobicContact CE-CG 3.57Å; V197-Y200 HydrophobicContact CB-CD2 4.31Å; V197-Y200 HydrophobicContact CG1-CD2 3.39Å; V197-Y200 HydrophobicContact CG1-CE2 4.09Å; V197-Y200 HydrophobicContact CG1-CG 4.12Å; V197-Y200 PolarHBondContact O-N 3.01Å; V197-Y200 VanDerWaalsContact O-N 3.13Å; T198-Y200 VanDerWaalsContact C-N 3.35Å
201I49.6Very low60.6Low71 Ų7178.9 Ų78.936%0.36439%0.394SS..Hα-helixtrans-91-17173.7-59.2177.5000110.7
202K42.4Very low59.5Low108 Ų10879.7 Ų79.747%0.4740%0.397SS..SBendtrans-95.4129.8-179.8-67.3178.3-178.3172.30110.3
203K44.6Very low57.8Low165 Ų16585.1 Ų85.172%0.71742%0.423SS*.PPolyproline II helixtrans-54.6135.3164.2-70.1177.8176.6177.90107.5S205K203-S205 PolarHBondContact O-N 2.91Å
204P45.1Very low55.7Low92 Ų9283.7 Ų83.760%0.59743%0.427SS*.PPolyproline II helixtrans-57.9126.7173.223.8-31000108.1L206P204-L206 PolarHBondContact O-N 3.16Å; P204-L206 VanDerWaalsContact O-N 3.11Å
205S56.3Low53.6Low23 Ų2385.8 Ų85.816%0.16145%0.451CS..  trans-69.4107.6173161.80000107.1K203 V207 S208 K238 D239K203-S205 PolarHBondContact O-N 2.91Å; S205-V207 PolarHBondContact O-N 2.95Å; S205-S208 WeakPolarHBondContact CB-OG 3.39Å; S205-S208 PolarHBondContact O-OG 3Å; S205-S208 WeakPolarHBondContact OG-CB 3.43Å; S205-S208 PolarHBondContact OG-N 3.02Å; S205-S208 VanDerWaalsContact OG-N 3.11Å; S205-S208 PolarHBondContact OG-OG 3.43Å; S205-K238 WeakPolarHBondContact CB-O 3.47Å; S205-K238 PolarHBondContact OG-O 2.89Å; S205-K238 VanDerWaalsContact OG-O 3.07Å; S205-D239 WeakPolarHBondContact CB-OD1 3.34Å; S205-D239 WeakPolarHBondContact OG-CA 3.2Å; S205-D239 PolarHBondContact OG-OD1 3.21Å
206L61.5Low52.1Low79 Ų7980.4 Ų80.441%0.41445%0.448SS..THydrogen-bonded Turntrans-68.8-27.7-175.9-62.7176.4000111.2L29 V34 P204L29-L206 HydrophobicContact CD1-CB 3.8Å; L29-L206 WeakPolarHBondContact CD1-O 3.27Å; V34-L206 HydrophobicContact CG2-CD1 4.17Å; P204-L206 PolarHBondContact O-N 3.16Å; P204-L206 VanDerWaalsContact O-N 3.11Å
207V61.1Low50.9Low1 Ų178.1 Ų78.11%0.00645%0.448CS..THydrogen-bonded Turntrans-86.6-35-176.9-1740000111.6L29 V36 L47 S205 D209 L210 D239 K241L29-V207 HydrophobicContact CD1-CG2 4.42Å; V36-V207 HydrophobicContact CG1-CG2 3.85Å; L47-V207 HydrophobicContact CB-CG1 4Å; L47-V207 WeakPolarHBondContact O-CG1 3.37Å; S205-V207 PolarHBondContact O-N 2.95Å; V207-D209 VanDerWaalsContact C-N 3.29Å; V207-D209 PolarHBondContact O-N 2.88Å; V207-L210 WeakPolarHBondContact O-CB 3.33Å; V207-L210 PolarHBondContact O-N 3.13Å; V207-D239 WeakPolarHBondContact CB-OD1 3.4Å; V207-D239 PolarHBondContact N-OD1 3.26Å; V207-K241 HydrophobicContact CG1-CB 3.76Å
208S62.3Low49.9Very low48 Ų4886.4 Ų86.434%0.33649%0.486SS..THydrogen-bonded Turntrans-65.7-33.9178.168.40000113S205 L210S205-S208 WeakPolarHBondContact CB-OG 3.39Å; S205-S208 PolarHBondContact O-OG 3Å; S205-S208 WeakPolarHBondContact OG-CB 3.43Å; S205-S208 PolarHBondContact OG-N 3.02Å; S205-S208 VanDerWaalsContact OG-N 3.11Å; S205-S208 PolarHBondContact OG-OG 3.43Å; S208-L210 PolarHBondContact O-N 3.34Å
209D61.7Low48.9Very low97 Ų9787.9 Ų87.952%0.51950%0.499SS..THydrogen-bonded Turntrans-80.42.9-176-67.7-6000113.2V207 P211V207-D209 VanDerWaalsContact C-N 3.29Å; V207-D209 PolarHBondContact O-N 2.88Å; D209-P211 WeakPolarHBondContact O-CD 3.36Å
210L70.6Confident48Very low15 Ų1589.3 Ų89.38%0.07951%0.508CS..  trans-61.2123.1177.8-175.686.4000110.6L29 V207 S208 W212 K241 I243 L275L29-L210 HydrophobicContact CD2-CD1 3.48Å; L29-L210 VanDerWaalsContact CD2-CD1 3.48Å; V207-L210 WeakPolarHBondContact O-CB 3.33Å; V207-L210 PolarHBondContact O-N 3.13Å; S208-L210 PolarHBondContact O-N 3.34Å; L210-W212 HydrophobicContact CD2-CB 4.37Å; L210-W212 PolarHBondContact O-N 3.15Å; L210-K241 HydrophobicContact CB-CD 4.28Å; L210-K241 HydrophobicContact CB-CG 4.39Å; L210-K241 HydrophobicContact CD2-CD 4.47Å; L210-K241 HydrophobicContact CD2-CG 3.97Å; L210-K241 WeakPolarHBondContact O-CE 3.23Å; L210-K241 PolarHBondContact O-NZ 2.82Å; L210-I243 HydrophobicContact CD2-CD1 4.46Å; L210-L275 HydrophobicContact CD1-CD2 3.4Å; L210-L275 HydrophobicContact CD2-CD1 4.04Å; L210-L275 HydrophobicContact CD2-CD2 3.19Å; L210-L275 HydrophobicContact CD2-CG 4.06Å; L210-L275 HydrophobicContact CG-CD2 3.8Å
211P63.8Low47.1Very low89 Ų8987.3 Ų87.358%0.57852%0.517SS*.  trans-70.5115.317431.1-33.1000108.4D209 N273D209-P211 WeakPolarHBondContact O-CD 3.36Å; P211-N273 WeakPolarHBondContact CB-OD1 3.47Å; P211-N273 WeakPolarHBondContact O-CB 3.46Å; P211-N273 PolarHBondContact O-OD1 3.32Å; P211-N273 VanDerWaalsContact O-OD1 3.12Å
212W68Low46.4Very low16 Ų1694 Ų946%0.06154%0.543CS..  trans-14114.8177.2-163.8-96.8000111.6L210 I243 L266 N273 L275L210-W212 HydrophobicContact CD2-CB 4.37Å; L210-W212 PolarHBondContact O-N 3.15Å; W212-I243 HydrophobicContact CD2-CB 4.5Å; W212-I243 HydrophobicContact CD2-CG1 3.87Å; W212-I243 HydrophobicContact CD2-CG2 4.14Å; W212-I243 HydrophobicContact CG-CG1 3.92Å; W212-I243 HydrophobicContact CH2-CG2 4.13Å; W212-I243 HydrophobicContact CZ2-CB 4.39Å; W212-I243 HydrophobicContact CZ2-CG1 4.48Å; W212-I243 HydrophobicContact CZ2-CG2 3.24Å; W212-L266 HydrophobicContact CH2-CD2 4.16Å; W212-L266 HydrophobicContact CH2-CG 3.93Å; W212-L266 WeakPolarHBondContact CH2-O 3.47Å; W212-L266 HydrophobicContact CZ2-CD2 4.32Å; W212-L266 HydrophobicContact CZ2-CG 4.4Å; W212-L266 WeakPolarHBondContact CZ3-O 3.11Å; W212-N273 HydrophobicContact CE3-CB 3.96Å; W212-N273 HydrophobicContact CZ3-CB 4.25Å; W212-L275 HydrophobicContact CD2-CD1 4.21Å; W212-L275 HydrophobicContact CE3-CD1 3.58Å; W212-L275 HydrophobicContact CE3-CG 3.74Å; W212-L275 HydrophobicContact CH2-CD1 3.86Å; W212-L275 HydrophobicContact CH2-CG 4.23Å; W212-L275 HydrophobicContact CZ2-CD1 4.44Å; W212-L275 HydrophobicContact CZ3-CB 4.25Å; W212-L275 HydrophobicContact CZ3-CD1 3.41Å; W212-L275 VanDerWaalsContact CZ3-CD1 3.41Å; W212-L275 HydrophobicContact CZ3-CG 3.43Å; W212-L275 VanDerWaalsContact CZ3-CG 3.43Å
213E52.2Low45.8Very low183 Ų18393.6 Ų93.686%0.85555%0.554SS**  trans-121.4114177.7-72.6-163.3173.900110.8
214G40.8Very low45.3Very low33 Ų3389.8 Ų89.834%0.3456%0.562SS.*  trans-123.388.4159.300000109.7D270G214-D270 VanDerWaalsContact CA-OD2 3.31Å; G214-D270 WeakPolarHBondContact CA-OD2 3.36Å
215A32.6Very low44.4Very low91 Ų9190.4 Ų90.475%0.75257%0.568SS**  trans46.5119.5161.700000122.2
216A30.4Very low43.4Very low85 Ų8599 Ų9970%0.70261%0.606SS**  -132.8142.312300000108.7Q218A216-Q218 PolarHBondContact O-N 2.89Å
217P33Very low41.7Very low123 Ų123102.3 Ų102.380%0.79962%0.624SS**  trans-69.4118.2-178.227.8-31000109.5S219P217-S219 PolarHBondContact O-N 2.87Å
218Q29.8Very low40.5Very low192 Ų192108.1 Ų108.190%0.89767%0.665SS**  trans-69.4111.1159.6-69.5-172.3-5.700106.8A216A216-Q218 PolarHBondContact O-N 2.89Å
219S27.3Very low38.9Very low100 Ų100109.2 Ų109.270%0.69968%0.683SS**  trans-49137.7165.7-52.60000108.9P217 S221P217-S219 PolarHBondContact O-N 2.87Å; S219-S221 PolarHBondContact O-N 3.06Å
220P28.2Very low37.4Very low115 Ų115109.9 Ų109.975%0.74770%0.696SS**  trans-67.6101.3175.227.7-30.2000107.5F222P220-F222 VanDerWaalsContact C-N 3.28Å; P220-F222 PolarHBondContact O-N 2.88Å
221S28.6Very low35.5Very low108 Ų108115.1 Ų115.176%0.75573%0.731SS**  trans-70.390.4170.453.40000108.5S219 S223S219-S221 PolarHBondContact O-N 3.06Å; S221-S223 VanDerWaalsContact C-N 3.33Å; S221-S223 PolarHBondContact O-N 3.41Å; S221-S223 VanDerWaalsContact O-N 3.16Å
222F33.5Very low33.8Very low210 Ų210120.4 Ų120.492%0.92175%0.745SS**  trans-69.994.4156.1-100.6-92.8000107.5P220P220-F222 VanDerWaalsContact C-N 3.28Å; P220-F222 PolarHBondContact O-N 2.88Å
223S29.6Very low32.2Very low101 Ų101128 Ų12871%0.70678%0.78SS**  trans-128.397.1158.762.60000107.8S221 S225S221-S223 VanDerWaalsContact C-N 3.33Å; S221-S223 PolarHBondContact O-N 3.41Å; S221-S223 VanDerWaalsContact O-N 3.16Å; S223-S225 PolarHBondContact O-N 2.89Å
224G34.8Very low31.2Very low85 Ų85127.3 Ų127.388%0.87678%0.777SS**  trans-63.1124167.300000109.5
225S27.6Very low31Very low105 Ų105131.3 Ų131.373%0.73479%0.791SS**  trans-148.593.3164.2171.90000105.8S223 D227S223-S225 PolarHBondContact O-N 2.89Å; S225-D227 PolarHBondContact O-N 3.39Å; S225-D227 VanDerWaalsContact O-N 3.08Å
226E33.8Very low31.2Very low203 Ų203132.5 Ų132.595%0.94979%0.793SS**  trans-62.3104.7165.9-65.1-178.1116.700107.9
227D26.8Very low32Very low149 Ų149132.5 Ų132.580%0.79779%0.785SS**  trans-143.2133.1151.9-153.63.1000111S225 G229S225-D227 PolarHBondContact O-N 3.39Å; S225-D227 VanDerWaalsContact O-N 3.08Å; D227-G229 PolarHBondContact O-N 3.15Å
228S36.3Very low33Very low123 Ų123132.2 Ų132.286%0.8677%0.771SS**  trans-75.1119.7-168.8-74.20000110.9
229G27.2Very low35Very low70 Ų70125.6 Ų125.672%0.72274%0.742SS**  trans-153.8106.5172.400000111.3D227D227-G229 PolarHBondContact O-N 3.15Å
230S30.1Very low37.8Very low112 Ų112126.5 Ų126.578%0.78373%0.73SS**  trans-49143175.3-65.60000112.4K232S230-K232 PolarHBondContact O-N 3.48Å
231P31.3Very low40.7Very low125 Ų125122.7 Ų122.781%0.81270%0.702SS**  trans-69106.2-178.927.6-31.5000109.6H233P231-H233 PolarHBondContact O-N 2.98Å
232K29Very low43.7Very low200 Ų200121.5 Ų121.587%0.8769%0.686SS**  trans-62.7122.8166.6-73.3179.5177.4175.80108.1S230 Q234S230-K232 PolarHBondContact O-N 3.48Å; K232-Q234 PolarHBondContact O-N 2.84Å
233H33.8Very low46.6Very low175 Ų175111.5 Ų111.581%0.8164%0.642SS**  trans-48.6103.3171.5-89.3-92.3000111.7P231P231-H233 PolarHBondContact O-N 2.98Å
234Q30.3Very low49.7Very low169 Ų169110.1 Ų110.179%0.7963%0.631SS**  trans-92.3104156.8-82.8-173.62.200108.2K232K232-Q234 PolarHBondContact O-N 2.84Å
235N37.2Very low52.6Low117 Ų117106.1 Ų106.163%0.62659%0.589SS**  trans-129.777.9-179.6-13819.6000108K238N235-K238 PolarHBondContact OD1-NZ 3.5Å
236S35.9Very low55.9Low115 Ų115103.8 Ų103.880%0.80457%0.566SS**SBendtrans-166.6-0.2163.366.20000117.5
237T47.9Very low58.8Low86 Ų8694.6 Ų94.653%0.52852%0.523SS..  trans-107.125.6-172.249.20000115.4D239T237-D239 PolarHBondContact O-N 3.41Å
238K54.3Low62.2Low117 Ų11787.6 Ų87.651%0.50949%0.486SS..THydrogen-bonded Turntrans-81.7-4.1-165.2-75.3-178.2179.6162.60116.9S205 N235S205-K238 WeakPolarHBondContact CB-O 3.47Å; S205-K238 PolarHBondContact OG-O 2.89Å; S205-K238 VanDerWaalsContact OG-O 3.07Å; N235-K238 PolarHBondContact OD1-NZ 3.5Å
239D72.6Confident65.1Low53 Ų5382.2 Ų82.228%0.28345%0.447SS..THydrogen-bonded Turntrans-132.334179.8-155.520.3000112.3T48 G49 S205 V207 T237T48-D239 CarbonylContact C-O 3.6Å; T48-D239 VanDerWaalsContact CA-O 3.26Å; T48-D239 WeakPolarHBondContact CA-O 3.48Å; G49-D239 WeakPolarHBondContact CA-OD2 3.28Å; G49-D239 PolarHBondContact N-O 2.85Å; S205-D239 WeakPolarHBondContact CB-OD1 3.34Å; S205-D239 WeakPolarHBondContact OG-CA 3.2Å; S205-D239 PolarHBondContact OG-OD1 3.21Å; V207-D239 WeakPolarHBondContact CB-OD1 3.4Å; V207-D239 PolarHBondContact N-OD1 3.26Å; T237-D239 PolarHBondContact O-N 3.41Å
240R84.7Confident68.4Low118 Ų11878.9 Ų78.945%0.44541%0.413SS..EExtended strand (participates in β ladder)trans-115.3126.1176.6-172.6172.888.31725.3110.8L47 T48L47-R240 CarbonylContact O-C 3.5Å; L47-R240 VanDerWaalsContact O-CA 3.27Å; L47-R240 WeakPolarHBondContact O-CA 3.22Å; T48-R240 HydrophobicContact CG2-CB 4.43Å; T48-R240 WeakPolarHBondContact OG1-CG 3.21Å
241K88.9Confident71.4Confident36 Ų3673.6 Ų73.616%0.15738%0.375CS..EExtended strand (participates in β ladder)trans-107.6134.2170.2-175.175.5-177.9-169.40109.7S46 L47 V207 L210 I243S46-K241 CarbonylContact C-O 3.59Å; S46-K241 VanDerWaalsContact CA-O 3.27Å; S46-K241 WeakPolarHBondContact CA-O 3.47Å; L47-K241 PolarHBondContact N-O 2.94Å; L47-K241 PolarHBondContact O-N 2.8Å; V207-K241 HydrophobicContact CG1-CB 3.76Å; L210-K241 HydrophobicContact CB-CD 4.28Å; L210-K241 HydrophobicContact CB-CG 4.39Å; L210-K241 HydrophobicContact CD2-CD 4.47Å; L210-K241 HydrophobicContact CD2-CG 3.97Å; L210-K241 WeakPolarHBondContact O-CE 3.23Å; L210-K241 PolarHBondContact O-NZ 2.82Å; K241-I243 HydrophobicContact CG-CD1 4.36Å; K241-I243 HydrophobicContact CG-CG1 4.31Å
242I91.6Very high74.2Confident82 Ų8269.4 Ų69.442%0.42134%0.343SS..EExtended strand (participates in β ladder)trans-111.3125.2175.1-53.8176.8000108
243I94.8Very high77Confident0 Ų063.4 Ų63.40%032%0.321CS..EExtended strand (participates in β ladder)trans-111.6110.2-177.7-72.3136.7000108.1S44 L45 L47 L210 W212 K241 L266 L275S44-I243 CarbonylContact C-O 3.38Å; S44-I243 WeakPolarHBondContact CA-O 3.31Å; S44-I243 WeakPolarHBondContact CB-O 3.2Å; L45-I243 HydrophobicContact CB-CB 4.26Å; L45-I243 HydrophobicContact CB-CG2 4.42Å; L45-I243 PolarHBondContact N-O 3Å; L45-I243 WeakPolarHBondContact O-CB 3.39Å; L45-I243 PolarHBondContact O-N 3.42Å; L47-I243 HydrophobicContact CD1-CD1 3.61Å; L47-I243 HydrophobicContact CG-CD1 3.96Å; L210-I243 HydrophobicContact CD2-CD1 4.46Å; W212-I243 HydrophobicContact CD2-CB 4.5Å; W212-I243 HydrophobicContact CD2-CG1 3.87Å; W212-I243 HydrophobicContact CD2-CG2 4.14Å; W212-I243 HydrophobicContact CG-CG1 3.92Å; W212-I243 HydrophobicContact CH2-CG2 4.13Å; W212-I243 HydrophobicContact CZ2-CB 4.39Å; W212-I243 HydrophobicContact CZ2-CG1 4.48Å; W212-I243 HydrophobicContact CZ2-CG2 3.24Å; K241-I243 HydrophobicContact CG-CD1 4.36Å; K241-I243 HydrophobicContact CG-CG1 4.31Å; I243-L266 HydrophobicContact CG2-CD2 3.81Å; I243-L275 HydrophobicContact CD1-CD1 3.18Å; I243-L275 HydrophobicContact CG1-CD1 3.75Å; I243-L275 HydrophobicContact CG2-CD1 4.44Å
244P95.2Very high79.5Confident73 Ų7355.9 Ų55.947%0.47429%0.287SS..EExtended strand (participates in β ladder)trans-63.9137.1171.527.3-34.3000109.7C248P244-C248 PolarHBondContact O-SG 2.86Å
245L96.3Very high82Confident0 Ų051.3 Ų51.30%027%0.273CS..  trans-89.6-12.8-178.5-67.2174.5000113.5L40 E43 L45 M247 C248 L266 I292 N295 I296 L299L40-L245 HydrophobicContact CD1-CD1 3.47Å; L40-L245 VanDerWaalsContact CD1-CD1 3.47Å; E43-L245 PolarHBondContact O-N 3.21Å; L45-L245 HydrophobicContact CB-CD2 4.2Å; L245-M247 PolarHBondContact O-N 3.44Å; L245-M247 VanDerWaalsContact O-N 3.11Å; L245-C248 WeakPolarHBondContact O-CB 3.38Å; L245-C248 PolarHBondContact O-N 3.45Å; L245-L266 HydrophobicContact CD2-CD2 4.14Å; L245-I292 HydrophobicContact CD2-CG2 4.15Å; L245-N295 HydrophobicContact CD1-CB 3.79Å; L245-I296 HydrophobicContact CB-CG1 4.01Å; L245-I296 HydrophobicContact CD2-CG1 4.34Å; L245-L299 HydrophobicContact CB-CD1 4.04Å
246K95.4Very high84.1Confident56 Ų5648 Ų4824%0.24326%0.255CS..THydrogen-bonded Turntrans-54.8119.1-178.4-173.2177.8-179.6175.80110.1C248 P269 L299 V303 E306 W362K246-C248 PolarHBondContact O-N 2.85Å; K246-C248 VanDerWaalsContact O-N 3.16Å; K246-P269 VanDerWaalsContact O-CG 3.23Å; K246-P269 WeakPolarHBondContact O-CG 3.31Å; K246-L299 HydrophobicContact CB-CD1 4.19Å; K246-V303 HydrophobicContact CD-CG2 4.23Å; K246-V303 HydrophobicContact CG-CG2 3.71Å; K246-E306 VanDerWaalsContact NZ-CD 3.31Å; K246-E306 IonicContact NZ-OE1 2.8Å; K246-E306 PolarHBondContact NZ-OE1 3.41Å; K246-E306 IonicContact NZ-OE2 3.33Å; K246-E306 PolarHBondContact NZ-OE2 3.15Å; K246-W362 HydrophobicContact CD-CH2 4.36Å; K246-W362 HydrophobicContact CG-CH2 4.33Å
247M95.7Very high86.3Confident10 Ų1047.4 Ų47.45%0.04925%0.248CC..THydrogen-bonded Turntrans54.825.3-178.5-60.9-53.6-6700115.3L245 P269 L300 V303 I326 W328 L346 M360 W362L245-M247 PolarHBondContact O-N 3.44Å; L245-M247 VanDerWaalsContact O-N 3.11Å; M247-P269 HydrophobicContact CB-CB 4.08Å; M247-P269 HydrophobicContact CB-CG 4.3Å; M247-P269 WeakPolarHBondContact O-CA 3.46Å; M247-P269 WeakPolarHBondContact O-CB 3.09Å; M247-P269 WeakPolarHBondContact O-CG 3.43Å; M247-L300 HydrophobicContact SD-CD1 4.43Å; M247-V303 HydrophobicContact CG-CG1 3.94Å; M247-V303 HydrophobicContact CG-CG2 3.92Å; M247-V303 HydrophobicContact SD-CB 4.26Å; M247-V303 HydrophobicContact SD-CG1 3.76Å; M247-V303 HydrophobicContact SD-CG2 3.96Å; M247-I326 HydrophobicContact CE-CD1 4.27Å; M247-I326 HydrophobicContact CE-CG1 4.17Å; M247-I326 HydrophobicContact CE-CG2 4.26Å; M247-W328 PolarHBondContact O-NE1 3.38Å; M247-L346 HydrophobicContact CE-CD1 3.67Å; M247-M360 HydrophobicContact CB-CG 4.31Å; M247-M360 HydrophobicContact CB-SD 4.37Å; M247-M360 HydrophobicContact CE-SD 3.81Å; M247-M360 HydrophobicContact CG-CE 4.15Å; M247-M360 HydrophobicContact CG-CG 4.41Å; M247-M360 HydrophobicContact CG-SD 4.02Å; M247-W362 HydrophobicContact CB-CH2 4.12Å; M247-W362 HydrophobicContact CB-CZ2 4.33Å; M247-W362 HydrophobicContact CG-CH2 4Å
248C97.4Very high88Confident2 Ų243.9 Ų43.91%0.01423%0.226CC..  trans-74158.1165.5-68.10000110.5P244 L245 K246 L266 H267 I296P244-C248 PolarHBondContact O-SG 2.86Å; L245-C248 WeakPolarHBondContact O-CB 3.38Å; L245-C248 PolarHBondContact O-N 3.45Å; K246-C248 PolarHBondContact O-N 2.85Å; K246-C248 VanDerWaalsContact O-N 3.16Å; C248-L266 HydrophobicContact CB-CD1 3.74Å; C248-L266 HydrophobicContact CB-CG 4.37Å; C248-H267 WeakPolarHBondContact CA-O 3.3Å; C248-H267 WeakPolarHBondContact CB-O 3.43Å; C248-I296 HydrophobicContact CB-CD1 4.08Å; C248-I296 HydrophobicContact CB-CG1 4.49Å; C248-I296 VanDerWaalsContact O-CG2 3.26Å; C248-I296 WeakPolarHBondContact O-CG2 3.01Å
249F97.1Very high89.2Confident10 Ų1046.5 Ų46.54%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-109.8111.3172.8-178.5-147000109.6A251 L254 L266 H267 W328 A330 P344 E417F249-A251 HydrophobicContact CD1-CB 4.33Å; F249-A251 HydrophobicContact CE1-CB 3.89Å; F249-A251 HydrophobicContact CE2-CB 4.16Å; F249-A251 HydrophobicContact CZ-CB 3.78Å; F249-L254 HydrophobicContact CD1-CD2 4.32Å; F249-L254 HydrophobicContact CE1-CD2 3.65Å; F249-L266 CarbonylContact O-C 3.57Å; F249-L266 WeakPolarHBondContact O-CA 3.46Å; F249-H267 HydrophobicContact CB-CB 4.18Å; F249-H267 AromaticContact CD1-CD2 3.75Å; F249-H267 PolarHBondContact N-O 2.81Å; F249-H267 PolarHBondContact O-CD2 2.81Å; F249-H267 PolarHBondContact O-N 2.86Å; F249-W328 HydrophobicContact CB-CB 3.61Å; F249-W328 HydrophobicContact CB-CD2 4.14Å; F249-W328 HydrophobicContact CB-CG 3.63Å; F249-W328 HydrophobicContact CD1-CB 4.25Å; F249-W328 HydrophobicContact CD2-CB 3.42Å; F249-W328 VanDerWaalsContact CD2-CB 3.42Å; F249-W328 HydrophobicContact CD2-CG 4.37Å; F249-W328 HydrophobicContact CE2-CB 4.12Å; F249-W328 HydrophobicContact CG-CB 3.5Å; F249-W328 HydrophobicContact CG-CG 4.05Å; F249-A330 HydrophobicContact CZ-CB 4.49Å; F249-P344 HydrophobicContact CD1-CB 4.06Å; F249-P344 HydrophobicContact CD1-CG 4.38Å; F249-P344 HydrophobicContact CE1-CB 4.21Å; F249-P344 HydrophobicContact CE1-CG 4.45Å; F249-E417 HydrophobicContact CE2-CG 4.03Å
250A96.3Very high89.8Confident1 Ų149.2 Ų49.21%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-90.5120.3170.400000108.6E265 L266 F289 I292 I296 E417A250-E265 CarbonylContact C-O 3.55Å; A250-E265 WeakPolarHBondContact CA-O 3.31Å; A250-L266 HydrophobicContact CB-CD1 4.09Å; A250-F289 HydrophobicContact CB-CE2 4.31Å; A250-I292 HydrophobicContact CB-CG2 4.07Å; A250-I296 HydrophobicContact CB-CD1 3.77Å; A250-E417 WeakPolarHBondContact O-CG 3.26Å
251A94.2Very high89.9Confident0 Ų046.4 Ų46.40%025%0.25CC..EExtended strand (participates in β ladder)trans-133.9167.9-178.700000111.2F249 L254 E265F249-A251 HydrophobicContact CD1-CB 4.33Å; F249-A251 HydrophobicContact CE1-CB 3.89Å; F249-A251 HydrophobicContact CE2-CB 4.16Å; F249-A251 HydrophobicContact CZ-CB 3.78Å; A251-L254 HydrophobicContact CB-CB 4.11Å; A251-L254 HydrophobicContact CB-CD2 4.09Å; A251-E265 PolarHBondContact N-O 2.89Å; A251-E265 PolarHBondContact O-N 3.1Å
252R90.3Very high90.2Very high37 Ų3747.9 Ų47.914%0.1425%0.254CS..SBendtrans-131.2139.9172.9-53.9-173.670.5-166.3-0.4110.2L254 N261 L263 F289 R415 E417R252-L254 PolarHBondContact O-N 3.44Å; R252-N261 PolarHBondContact NH2-O 3.19Å; R252-L263 PolarHBondContact NE-O 2.71Å; R252-F289 HydrophobicContact CG-CD2 3.7Å; R252-F289 HydrophobicContact CG-CE2 3.59Å; R252-F289 HydrophobicContact CG-CG 4.28Å; R252-F289 HydrophobicContact CG-CZ 4.07Å; R252-R415 PolarHBondContact O-NH1 2.87Å; R252-R415 PolarHBondContact O-NH2 2.9Å; R252-E417 PolarHBondContact N-OE2 3.18Å
253N87.3Confident90.3Very high74 Ų7444.4 Ų44.440%0.39624%0.237SC..SBendtrans51.247174.5-167.944.4000111.8M256 P257 D258 E265 R415N253-M256 PolarHBondContact OD1-O 3.49Å; N253-P257 WeakPolarHBondContact OD1-CA 3.34Å; N253-D258 HydrophobicContact CB-CB 4.35Å; N253-D258 PolarHBondContact OD1-N 2.94Å; N253-E265 PolarHBondContact N-OE1 2.91Å; N253-R415 PolarHBondContact O-NH1 3.34Å; N253-R415 VanDerWaalsContact O-NH1 3.17Å
254L86.9Confident90.4Very high18 Ų1844.4 Ų44.49%0.09424%0.237CC..SBendtrans-101.2-61.8-178.7-175.372.7000110F249 A251 R252 E265 A330 W342 P344F249-L254 HydrophobicContact CD1-CD2 4.32Å; F249-L254 HydrophobicContact CE1-CD2 3.65Å; A251-L254 HydrophobicContact CB-CB 4.11Å; A251-L254 HydrophobicContact CB-CD2 4.09Å; R252-L254 PolarHBondContact O-N 3.44Å; L254-E265 PolarHBondContact N-OE1 2.87Å; L254-A330 HydrophobicContact CD1-CB 3.61Å; L254-W342 HydrophobicContact CD1-CB 3.49Å; L254-W342 VanDerWaalsContact CD1-CB 3.49Å; L254-W342 HydrophobicContact CD1-CG 4.49Å; L254-P344 HydrophobicContact CD2-CG 3.85Å
255S82.6Confident90.3Very high72 Ų7241 Ų4150%0.50321%0.214SC..SBendtrans-101.9-28.7178.772.10000112.6E265S255-E265 VanDerWaalsContact CB-OE2 3.32Å; S255-E265 WeakPolarHBondContact CB-OE2 3.39Å; S255-E265 PolarHBondContact N-OE1 3.3Å; S255-E265 PolarHBondContact N-OE2 2.89Å; S255-E265 PolarHBondContact OG-OE2 3.38Å
256M81.6Confident90.4Very high48 Ų4841 Ų4124%0.23621%0.214CC..SBendtrans-114.8124.6179.2-152.7-154.3-67.600111.5L28 N253 D258 L263 E265 I276L28-M256 HydrophobicContact CD2-CE 3.35Å; N253-M256 PolarHBondContact OD1-O 3.49Å; M256-D258 PolarHBondContact O-N 3.47Å; M256-L263 HydrophobicContact CE-CD1 4.49Å; M256-L263 HydrophobicContact SD-CD1 3.59Å; M256-L263 VanDerWaalsContact SD-CD1 3.59Å; M256-E265 PolarHBondContact N-OE1 3.45Å; M256-I276 HydrophobicContact CB-CD1 4.37Å; M256-I276 HydrophobicContact CE-CB 4.19Å; M256-I276 HydrophobicContact CE-CD1 3.35Å; M256-I276 HydrophobicContact CE-CG1 4.31Å; M256-I276 HydrophobicContact CE-CG2 3.66Å
257P81.3Confident90.4Very high103 Ų10338.6 Ų38.667%0.66920%0.204SC*.  trans-57.9126.1174.8-25.534.6000112.5N253N253-P257 WeakPolarHBondContact OD1-CA 3.34Å
258D83.2Confident90.3Very high12 Ų1238.2 Ų38.26%0.06420%0.202CC..  trans-124.579.8-178.8-177.117000111.7N253 M256 E260 N261 R262 L263N253-D258 HydrophobicContact CB-CB 4.35Å; N253-D258 PolarHBondContact OD1-N 2.94Å; M256-D258 PolarHBondContact O-N 3.47Å; D258-E260 PolarHBondContact O-N 3.38Å; D258-E260 PolarHBondContact OD1-N 2.93Å; D258-N261 VanDerWaalsContact CG-CA 3.49Å; D258-N261 PolarHBondContact O-N 3.08Å; D258-N261 WeakPolarHBondContact OD1-CA 3.41Å; D258-N261 PolarHBondContact OD1-N 3.02Å; D258-N261 WeakPolarHBondContact OD2-CA 3.35Å; D258-R262 VanDerWaalsContact CG-N 3.34Å; D258-R262 PolarHBondContact OD1-N 2.8Å; D258-R262 PolarHBondContact OD2-N 3.05Å; D258-L263 HydrophobicContact CB-CB 4.06Å; D258-L263 HydrophobicContact CB-CD1 3.99Å; D258-L263 HydrophobicContact CB-CG 4.01Å; D258-L263 WeakPolarHBondContact OD2-CA 3.34Å; D258-L263 WeakPolarHBondContact OD2-CB 3.35Å; D258-L263 PolarHBondContact OD2-N 3.39Å
259L79.8Confident90.2Very high171 Ų17139.2 Ų39.290%0.89521%0.208SC*.THydrogen-bonded Turntrans-64.4-23.7-179.9-64.3176.2000113.2
260E84.5Confident89.7Confident110 Ų11039.9 Ų39.951%0.51421%0.212SC..THydrogen-bonded Turntrans-97.7-3.7-175.3-60.9176.7159.200112.6D258 R262 T282D258-E260 PolarHBondContact O-N 3.38Å; D258-E260 PolarHBondContact OD1-N 2.93Å; E260-R262 VanDerWaalsContact C-N 3.28Å; E260-R262 HydrophobicContact CB-CG 3.97Å; E260-R262 WeakPolarHBondContact O-CG 3.47Å; E260-R262 PolarHBondContact O-N 3.42Å; E260-R262 IonicContact OE1-NH2 2.6Å; E260-R262 IonicContact OE2-CZ 2.95Å; E260-R262 IonicContact OE2-NE 3.24Å; E260-R262 PolarHBondContact OE2-NE 3.25Å; E260-R262 IonicContact OE2-NH2 3.93Å; E260-R262 PolarHBondContact OE2-NH2 3.14Å; E260-T282 PolarHBondContact O-OG1 3.38Å
261N87.8Confident89.3Confident60 Ų6041.7 Ų41.732%0.32123%0.225SC..SBendtrans52.744.1-175.9-66-73.8000112.2R252 D258 T282R252-N261 PolarHBondContact NH2-O 3.19Å; D258-N261 VanDerWaalsContact CG-CA 3.49Å; D258-N261 PolarHBondContact O-N 3.08Å; D258-N261 WeakPolarHBondContact OD1-CA 3.41Å; D258-N261 PolarHBondContact OD1-N 3.02Å; D258-N261 WeakPolarHBondContact OD2-CA 3.35Å; N261-T282 HydrophobicContact CB-CG2 3.72Å; N261-T282 WeakPolarHBondContact O-CA 3.31Å; N261-T282 WeakPolarHBondContact O-CG2 3.2Å
262R94.1Very high88.9Confident66 Ų6651.3 Ų51.325%0.24926%0.261CS..  trans-113.1-5.6-179.9-60.7-163.8-66.3173-1.5114.3D258 E260 R278 C279 K280D258-R262 VanDerWaalsContact CG-N 3.34Å; D258-R262 PolarHBondContact OD1-N 2.8Å; D258-R262 PolarHBondContact OD2-N 3.05Å; E260-R262 VanDerWaalsContact C-N 3.28Å; E260-R262 HydrophobicContact CB-CG 3.97Å; E260-R262 WeakPolarHBondContact O-CG 3.47Å; E260-R262 PolarHBondContact O-N 3.42Å; E260-R262 IonicContact OE1-NH2 2.6Å; E260-R262 IonicContact OE2-CZ 2.95Å; E260-R262 IonicContact OE2-NE 3.24Å; E260-R262 PolarHBondContact OE2-NE 3.25Å; E260-R262 IonicContact OE2-NH2 3.93Å; E260-R262 PolarHBondContact OE2-NH2 3.14Å; R262-R278 HydrophobicContact CB-CG 4.44Å; R262-C279 PolarHBondContact O-N 3.33Å; R262-K280 WeakPolarHBondContact CD-O 3.42Å; R262-K280 PolarHBondContact NH1-O 3.33Å
263L94.6Very high88.9Confident10 Ų1050.7 Ų50.75%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-96.4147.9-176.3-54.1-173.1000111.7W33 R252 M256 D258 I276 L277 R278W33-L263 HydrophobicContact CH2-CD2 3.69Å; W33-L263 HydrophobicContact CZ2-CD2 4.29Å; W33-L263 HydrophobicContact CZ3-CD2 4.47Å; R252-L263 PolarHBondContact NE-O 2.71Å; M256-L263 HydrophobicContact CE-CD1 4.49Å; M256-L263 HydrophobicContact SD-CD1 3.59Å; M256-L263 VanDerWaalsContact SD-CD1 3.59Å; D258-L263 HydrophobicContact CB-CB 4.06Å; D258-L263 HydrophobicContact CB-CD1 3.99Å; D258-L263 HydrophobicContact CB-CG 4.01Å; D258-L263 WeakPolarHBondContact OD2-CA 3.34Å; D258-L263 WeakPolarHBondContact OD2-CB 3.35Å; D258-L263 PolarHBondContact OD2-N 3.39Å; L263-I276 HydrophobicContact CD1-CG2 4.43Å; L263-L277 CarbonylContact C-O 3.56Å; L263-L277 VanDerWaalsContact CA-O 3.31Å; L263-L277 WeakPolarHBondContact CA-O 3.31Å; L263-R278 HydrophobicContact CD2-CB 3.52Å; L263-R278 HydrophobicContact CD2-CG 3.73Å
264I95.9Very high89.1Confident0 Ų050 Ų500%026%0.259CS..EExtended strand (participates in β ladder)trans-130.5128.2169.6-56.7168.6000106.5I276 L277 A285 W288 F289I264-I276 WeakPolarHBondContact O-CA 3.25Å; I264-L277 HydrophobicContact CB-CB 4.39Å; I264-L277 PolarHBondContact N-O 2.71Å; I264-L277 PolarHBondContact O-N 3.18Å; I264-A285 WeakPolarHBondContact CD1-O 3.26Å; I264-W288 HydrophobicContact CD1-CB 3.44Å; I264-W288 VanDerWaalsContact CD1-CB 3.44Å; I264-F289 HydrophobicContact CD1-CB 4.12Å; I264-F289 HydrophobicContact CG1-CB 4.24Å; I264-F289 HydrophobicContact CG2-CD2 4.28Å
265E95.1Very high89.5Confident0 Ų049.2 Ų49.20%026%0.255CS..EExtended strand (participates in β ladder)trans-102.4129.2173-61.6176.8-126.900108.2A250 A251 N253 L254 S255 M256 H267 T274 L275 I276A250-E265 CarbonylContact C-O 3.55Å; A250-E265 WeakPolarHBondContact CA-O 3.31Å; A251-E265 PolarHBondContact N-O 2.89Å; A251-E265 PolarHBondContact O-N 3.1Å; N253-E265 PolarHBondContact N-OE1 2.91Å; L254-E265 PolarHBondContact N-OE1 2.87Å; S255-E265 VanDerWaalsContact CB-OE2 3.32Å; S255-E265 WeakPolarHBondContact CB-OE2 3.39Å; S255-E265 PolarHBondContact N-OE1 3.3Å; S255-E265 PolarHBondContact N-OE2 2.89Å; S255-E265 PolarHBondContact OG-OE2 3.38Å; M256-E265 PolarHBondContact N-OE1 3.45Å; E265-H267 IonicContact OE2-CE1 2.8Å; E265-H267 IonicContact OE2-NE2 2.71Å; E265-T274 HydrophobicContact CB-CG2 4.4Å; E265-L275 CarbonylContact C-O 3.52Å; E265-L275 VanDerWaalsContact CA-O 3.31Å; E265-L275 WeakPolarHBondContact CA-O 3.25Å; E265-I276 HydrophobicContact CG-CG1 4.44Å
266L96.6Very high90Very high0 Ų046.7 Ų46.70%024%0.236CC..EExtended strand (participates in β ladder)trans-121.2109.8173.4-175.969.3000108.2L45 W212 I243 L245 C248 F249 A250 T274 L275 I292 I296L45-L266 HydrophobicContact CD2-CD2 4.09Å; W212-L266 HydrophobicContact CH2-CD2 4.16Å; W212-L266 HydrophobicContact CH2-CG 3.93Å; W212-L266 WeakPolarHBondContact CH2-O 3.47Å; W212-L266 HydrophobicContact CZ2-CD2 4.32Å; W212-L266 HydrophobicContact CZ2-CG 4.4Å; W212-L266 WeakPolarHBondContact CZ3-O 3.11Å; I243-L266 HydrophobicContact CG2-CD2 3.81Å; L245-L266 HydrophobicContact CD2-CD2 4.14Å; C248-L266 HydrophobicContact CB-CD1 3.74Å; C248-L266 HydrophobicContact CB-CG 4.37Å; F249-L266 CarbonylContact O-C 3.57Å; F249-L266 WeakPolarHBondContact O-CA 3.46Å; A250-L266 HydrophobicContact CB-CD1 4.09Å; L266-T274 WeakPolarHBondContact O-CA 3.36Å; L266-L275 HydrophobicContact CB-CB 4.24Å; L266-L275 HydrophobicContact CD2-CD1 4.44Å; L266-L275 PolarHBondContact N-O 3.36Å; L266-L275 PolarHBondContact O-N 3.43Å; L266-I292 HydrophobicContact CD1-CG2 4.02Å; L266-I296 HydrophobicContact CD1-CD1 3.9Å
267H95.5Very high90.7Very high7 Ų744.6 Ų44.63%0.03223%0.226CC..EExtended strand (participates in β ladder)trans-95.1140.6179.2-48.5-93.3000110.3C248 F249 E265 N273 T274C248-H267 WeakPolarHBondContact CA-O 3.3Å; C248-H267 WeakPolarHBondContact CB-O 3.43Å; F249-H267 HydrophobicContact CB-CB 4.18Å; F249-H267 AromaticContact CD1-CD2 3.75Å; F249-H267 PolarHBondContact N-O 2.81Å; F249-H267 PolarHBondContact O-CD2 2.81Å; F249-H267 PolarHBondContact O-N 2.86Å; E265-H267 IonicContact OE2-CE1 2.8Å; E265-H267 IonicContact OE2-NE2 2.71Å; H267-N273 CarbonylContact C-O 3.51Å; H267-N273 WeakPolarHBondContact CA-O 3.48Å; H267-T274 VanDerWaalsContact CE1-CG2 3.44Å; H267-T274 WeakPolarHBondContact CE1-CG2 3.5Å; H267-T274 WeakPolarHBondContact ND1-CG2 3.43Å; H267-T274 PolarHBondContact ND1-OG1 3.12Å
268S94.6Very high91.4Very high2 Ų242.4 Ų42.41%0.01420%0.204CC..  trans-68158.7176.153.90000111.7D270 S271 N273S268-D270 VanDerWaalsContact CB-OD1 3.29Å; S268-D270 WeakPolarHBondContact CB-OD1 3.3Å; S268-D270 PolarHBondContact O-N 3.05Å; S268-D270 PolarHBondContact OG-OD1 3.35Å; S268-S271 PolarHBondContact O-N 3.1Å; S268-N273 PolarHBondContact N-O 2.91Å; S268-N273 WeakPolarHBondContact OG-CA 3.43Å; S268-N273 WeakPolarHBondContact OG-CB 3.48Å; S268-N273 PolarHBondContact OG-N 2.81Å; S268-N273 PolarHBondContact OG-O 2.85Å
269P94.5Very high92Very high22 Ų2241.9 Ų41.914%0.14320%0.201CC..THydrogen-bonded Turntrans-63.2-14.3-178.2-2233.4000115K246 M247 W328 M360 W362K246-P269 VanDerWaalsContact O-CG 3.23Å; K246-P269 WeakPolarHBondContact O-CG 3.31Å; M247-P269 HydrophobicContact CB-CB 4.08Å; M247-P269 HydrophobicContact CB-CG 4.3Å; M247-P269 WeakPolarHBondContact O-CA 3.46Å; M247-P269 WeakPolarHBondContact O-CB 3.09Å; M247-P269 WeakPolarHBondContact O-CG 3.43Å; P269-W328 VanDerWaalsContact O-CZ2 3.31Å; P269-W328 WeakPolarHBondContact O-CZ2 3.32Å; P269-M360 HydrophobicContact CB-CB 3.96Å; P269-M360 WeakPolarHBondContact O-CB 3.13Å; P269-M360 PolarHBondContact O-N 3.07Å; P269-W362 HydrophobicContact CB-CZ2 3.86Å; P269-W362 HydrophobicContact CG-CZ2 4.33Å
270D87.4Confident92.7Very high24 Ų2441.8 Ų41.813%0.12819%0.194CC..THydrogen-bonded Turntrans-950.9174.166.6-13.6000112.9G214 S268 R272G214-D270 VanDerWaalsContact CA-OD2 3.31Å; G214-D270 WeakPolarHBondContact CA-OD2 3.36Å; S268-D270 VanDerWaalsContact CB-OD1 3.29Å; S268-D270 WeakPolarHBondContact CB-OD1 3.3Å; S268-D270 PolarHBondContact O-N 3.05Å; S268-D270 PolarHBondContact OG-OD1 3.35Å; D270-R272 HydrophobicContact CB-CG 4.23Å; D270-R272 WeakPolarHBondContact O-CG 3.32Å; D270-R272 PolarHBondContact O-N 2.83Å; D270-R272 PolarHBondContact OD1-N 3.06Å; D270-R272 VanDerWaalsContact OD1-N 3.1Å; D270-R272 WeakPolarHBondContact OD2-CB 3.35Å; D270-R272 VanDerWaalsContact OD2-CD 3.3Å; D270-R272 WeakPolarHBondContact OD2-CD 3.43Å; D270-R272 WeakPolarHBondContact OD2-CG 3.49Å
271S86.8Confident93.2Very high40 Ų4039.2 Ų39.228%0.2818%0.184SC..SBendtrans61.114.7-175.6-153.80000114.6S268 D358S268-S271 PolarHBondContact O-N 3.1Å; S271-D358 WeakPolarHBondContact CB-O 3.46Å
272R87.4Confident93.5Very high201 Ų20139.2 Ų39.276%0.75819%0.186SC*.  trans-94.2-28.3-176-60.8-174-178-175.1-1.2114.3D270D270-R272 HydrophobicContact CB-CG 4.23Å; D270-R272 WeakPolarHBondContact O-CG 3.32Å; D270-R272 PolarHBondContact O-N 2.83Å; D270-R272 PolarHBondContact OD1-N 3.06Å; D270-R272 VanDerWaalsContact OD1-N 3.1Å; D270-R272 WeakPolarHBondContact OD2-CB 3.35Å; D270-R272 VanDerWaalsContact OD2-CD 3.3Å; D270-R272 WeakPolarHBondContact OD2-CD 3.43Å; D270-R272 WeakPolarHBondContact OD2-CG 3.49Å
273N89.5Confident93.5Very high24 Ų2439.6 Ų39.613%0.12820%0.203CC..  trans-116.9137.7-177.7-55.5-72.1000109.6P211 W212 H267 S268P211-N273 WeakPolarHBondContact CB-OD1 3.47Å; P211-N273 WeakPolarHBondContact O-CB 3.46Å; P211-N273 PolarHBondContact O-OD1 3.32Å; P211-N273 VanDerWaalsContact O-OD1 3.12Å; W212-N273 HydrophobicContact CE3-CB 3.96Å; W212-N273 HydrophobicContact CZ3-CB 4.25Å; H267-N273 CarbonylContact C-O 3.51Å; H267-N273 WeakPolarHBondContact CA-O 3.48Å; S268-N273 PolarHBondContact N-O 2.91Å; S268-N273 WeakPolarHBondContact OG-CA 3.43Å; S268-N273 WeakPolarHBondContact OG-CB 3.48Å; S268-N273 PolarHBondContact OG-N 2.81Å; S268-N273 PolarHBondContact OG-O 2.85Å
274T92.4Very high93.6Very high59 Ų5941.2 Ų41.236%0.36221%0.213SC..EExtended strand (participates in β ladder)trans-129.5130.9178-57.50000109.3E265 L266 H267 I276E265-T274 HydrophobicContact CB-CG2 4.4Å; L266-T274 WeakPolarHBondContact O-CA 3.36Å; H267-T274 VanDerWaalsContact CE1-CG2 3.44Å; H267-T274 WeakPolarHBondContact CE1-CG2 3.5Å; H267-T274 WeakPolarHBondContact ND1-CG2 3.43Å; H267-T274 PolarHBondContact ND1-OG1 3.12Å; T274-I276 HydrophobicContact CG2-CD1 4.39Å; T274-I276 HydrophobicContact CG2-CG1 4.01Å
275L93.5Very high93.6Very high2 Ų241.2 Ų41.21%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-104.1132.8170.8-69.1169.8000110.2L27 L47 L210 W212 I243 E265 L266L27-L275 HydrophobicContact CD1-CD2 3.79Å; L47-L275 HydrophobicContact CD1-CD1 4.46Å; L210-L275 HydrophobicContact CD1-CD2 3.4Å; L210-L275 HydrophobicContact CD2-CD1 4.04Å; L210-L275 HydrophobicContact CD2-CD2 3.19Å; L210-L275 HydrophobicContact CD2-CG 4.06Å; L210-L275 HydrophobicContact CG-CD2 3.8Å; W212-L275 HydrophobicContact CD2-CD1 4.21Å; W212-L275 HydrophobicContact CE3-CD1 3.58Å; W212-L275 HydrophobicContact CE3-CG 3.74Å; W212-L275 HydrophobicContact CH2-CD1 3.86Å; W212-L275 HydrophobicContact CH2-CG 4.23Å; W212-L275 HydrophobicContact CZ2-CD1 4.44Å; W212-L275 HydrophobicContact CZ3-CB 4.25Å; W212-L275 HydrophobicContact CZ3-CD1 3.41Å; W212-L275 VanDerWaalsContact CZ3-CD1 3.41Å; W212-L275 HydrophobicContact CZ3-CG 3.43Å; W212-L275 VanDerWaalsContact CZ3-CG 3.43Å; I243-L275 HydrophobicContact CD1-CD1 3.18Å; I243-L275 HydrophobicContact CG1-CD1 3.75Å; I243-L275 HydrophobicContact CG2-CD1 4.44Å; E265-L275 CarbonylContact C-O 3.52Å; E265-L275 VanDerWaalsContact CA-O 3.31Å; E265-L275 WeakPolarHBondContact CA-O 3.25Å; L266-L275 HydrophobicContact CB-CB 4.24Å; L266-L275 HydrophobicContact CD2-CD1 4.44Å; L266-L275 PolarHBondContact N-O 3.36Å; L266-L275 PolarHBondContact O-N 3.43Å
276I95Very high93.5Very high20 Ų2046.2 Ų46.210%0.10324%0.237CC..EExtended strand (participates in β ladder)trans-119.3112.3179.9-47.2-175.1000108.1L28 W33 M256 L263 I264 E265 T274L28-I276 HydrophobicContact CB-CB 4.1Å; L28-I276 HydrophobicContact CD2-CD1 4.3Å; L28-I276 PolarHBondContact N-O 3.17Å; W33-I276 HydrophobicContact CH2-CG2 4.13Å; M256-I276 HydrophobicContact CB-CD1 4.37Å; M256-I276 HydrophobicContact CE-CB 4.19Å; M256-I276 HydrophobicContact CE-CD1 3.35Å; M256-I276 HydrophobicContact CE-CG1 4.31Å; M256-I276 HydrophobicContact CE-CG2 3.66Å; L263-I276 HydrophobicContact CD1-CG2 4.43Å; I264-I276 WeakPolarHBondContact O-CA 3.25Å; E265-I276 HydrophobicContact CG-CG1 4.44Å; T274-I276 HydrophobicContact CG2-CD1 4.39Å; T274-I276 HydrophobicContact CG2-CG1 4.01Å
277L95.8Very high93.5Very high3 Ų348.7 Ų48.72%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-105.4125.8-179.3-55.6176.8000108.9V25 E26 L27 L45 L47 L263 I264 I292V25-L277 HydrophobicContact CG2-CD2 4.17Å; E26-L277 CarbonylContact O-C 3.56Å; E26-L277 WeakPolarHBondContact O-CA 3.47Å; L27-L277 HydrophobicContact CB-CD2 4.39Å; L27-L277 HydrophobicContact CD1-CD2 3.65Å; L45-L277 HydrophobicContact CD2-CD1 4.06Å; L47-L277 HydrophobicContact CD1-CD2 4.45Å; L47-L277 HydrophobicContact CD2-CD2 4.45Å; L263-L277 CarbonylContact C-O 3.56Å; L263-L277 VanDerWaalsContact CA-O 3.31Å; L263-L277 WeakPolarHBondContact CA-O 3.31Å; I264-L277 HydrophobicContact CB-CB 4.39Å; I264-L277 PolarHBondContact N-O 2.71Å; I264-L277 PolarHBondContact O-N 3.18Å; L277-I292 HydrophobicContact CD1-CD1 4.43Å
278R95.9Very high93.6Very high57 Ų5748.8 Ų48.822%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-102.1128170-177.417274.1-175.52.2109.7E26 W33 R262 L263E26-R278 HydrophobicContact CB-CB 4.2Å; E26-R278 PolarHBondContact N-O 2.75Å; E26-R278 PolarHBondContact O-N 2.99Å; E26-R278 IonicContact OE1-CZ 2.83Å; E26-R278 IonicContact OE1-NH2 3.39Å; E26-R278 PolarHBondContact OE1-NH2 3.41Å; E26-R278 IonicContact OE2-CZ 3.58Å; E26-R278 IonicContact OE2-NE 3.83Å; E26-R278 PolarHBondContact OE2-NE 2.58Å; E26-R278 IonicContact OE2-NH2 3.37Å; E26-R278 PolarHBondContact OE2-NH2 3.28Å; W33-R278 HydrophobicContact CE3-CB 3.8Å; W33-R278 HydrophobicContact CH2-CB 3.71Å; W33-R278 HydrophobicContact CZ2-CB 4.44Å; W33-R278 HydrophobicContact CZ3-CB 3.34Å; R262-R278 HydrophobicContact CB-CG 4.44Å; L263-R278 HydrophobicContact CD2-CB 3.52Å; L263-R278 HydrophobicContact CD2-CG 3.73Å
279C96.3Very high93.7Very high1 Ų149 Ų491%0.00726%0.255CS..  trans-98.9162.3176.1-67.10000111R262 D281 T284 A285R262-C279 PolarHBondContact O-N 3.33Å; C279-D281 VanDerWaalsContact C-N 3.3Å; C279-D281 PolarHBondContact O-N 3.44Å; C279-T284 HydrophobicContact CB-CG2 4.09Å; C279-A285 HydrophobicContact CB-CB 3.79Å
280K94.4Very high93.7Very high170 Ų17050.8 Ų50.874%0.73927%0.265SS*.SBendtrans-55.4-45.1179.7-178.9-177.2175.2-174.80112.7R262R262-K280 WeakPolarHBondContact CD-O 3.42Å; R262-K280 PolarHBondContact NH1-O 3.33Å
281D94.3Very high94.2Very high56 Ų5650.1 Ų50.130%0.29926%0.263SS..SBendtrans-148.5167.5-174.855.564.8000111C279 A283 T284 A285C279-D281 VanDerWaalsContact C-N 3.3Å; C279-D281 PolarHBondContact O-N 3.44Å; D281-A283 VanDerWaalsContact C-N 3.3Å; D281-A283 PolarHBondContact O-N 3.07Å; D281-A283 PolarHBondContact OD1-N 3.48Å; D281-T284 PolarHBondContact O-N 3.17Å; D281-T284 VanDerWaalsContact OD1-CB 3.28Å; D281-T284 WeakPolarHBondContact OD1-CB 3.39Å; D281-T284 PolarHBondContact OD1-N 3.43Å; D281-T284 PolarHBondContact OD1-OG1 2.8Å; D281-T284 PolarHBondContact OD2-OG1 3.46Å; D281-A285 PolarHBondContact O-N 2.9Å
282T94.1Very high94.7Very high60 Ų6048.2 Ų48.237%0.36825%0.25SC..Hα-helixtrans-60.2-36.8-177.6-49.10000112.9E260 N261 A285 H286E260-T282 PolarHBondContact O-OG1 3.38Å; N261-T282 HydrophobicContact CB-CG2 3.72Å; N261-T282 WeakPolarHBondContact O-CA 3.31Å; N261-T282 WeakPolarHBondContact O-CG2 3.2Å; T282-A285 PolarHBondContact O-N 2.88Å; T282-H286 WeakPolarHBondContact O-CB 3.49Å; T282-H286 PolarHBondContact O-N 3.44Å
283A94.6Very high95.1Very high73 Ų7339.7 Ų39.760%0.60322%0.218SC*.Hα-helixtrans-68.1-42.218000000111.2D281 H286 S287D281-A283 VanDerWaalsContact C-N 3.3Å; D281-A283 PolarHBondContact O-N 3.07Å; D281-A283 PolarHBondContact OD1-N 3.48Å; A283-H286 PolarHBondContact O-N 2.94Å; A283-S287 WeakPolarHBondContact O-CB 3.4Å; A283-S287 PolarHBondContact O-N 3.46Å
284T95.8Very high95.4Very high44 Ų4440.1 Ų40.127%0.2722%0.222SC..Hα-helixtrans-65.3-43.3175.5-57.90000110.9C279 D281 S287 W288C279-T284 HydrophobicContact CB-CG2 4.09Å; D281-T284 PolarHBondContact O-N 3.17Å; D281-T284 VanDerWaalsContact OD1-CB 3.28Å; D281-T284 WeakPolarHBondContact OD1-CB 3.39Å; D281-T284 PolarHBondContact OD1-N 3.43Å; D281-T284 PolarHBondContact OD1-OG1 2.8Å; D281-T284 PolarHBondContact OD2-OG1 3.46Å; T284-S287 PolarHBondContact O-N 3.33Å; T284-W288 VanDerWaalsContact O-CD1 3.28Å; T284-W288 PolarHBondContact O-N 3.26Å
285A95.6Very high95.6Very high0 Ų037.3 Ų37.30%020%0.204CC..Hα-helixtrans-58.5-49.2174.100000111.7I264 C279 D281 T282 S287 W288 F289I264-A285 WeakPolarHBondContact CD1-O 3.26Å; C279-A285 HydrophobicContact CB-CB 3.79Å; D281-A285 PolarHBondContact O-N 2.9Å; T282-A285 PolarHBondContact O-N 2.88Å; A285-S287 VanDerWaalsContact C-N 3.34Å; A285-S287 PolarHBondContact O-N 3.09Å; A285-W288 PolarHBondContact O-N 3.08Å; A285-F289 VanDerWaalsContact O-CB 3.29Å; A285-F289 WeakPolarHBondContact O-CB 3.41Å; A285-F289 PolarHBondContact O-N 3.38Å
286H94.4Very high95.7Very high106 Ų10637.6 Ų37.649%0.49121%0.206SC..Hα-helixtrans-60.5-43.3177.1-17768.6000112T282 A283 W288 F289 V290T282-H286 WeakPolarHBondContact O-CB 3.49Å; T282-H286 PolarHBondContact O-N 3.44Å; A283-H286 PolarHBondContact O-N 2.94Å; H286-W288 PolarHBondContact O-N 3.02Å; H286-F289 PolarHBondContact O-N 3.28Å; H286-V290 WeakPolarHBondContact O-CB 3.41Å; H286-V290 VanDerWaalsContact O-CG2 3.31Å; H286-V290 WeakPolarHBondContact O-CG2 3.29Å; H286-V290 PolarHBondContact O-N 3.23Å
287S95.9Very high95.7Very high52 Ų5238.3 Ų38.336%0.36421%0.209SC..Hα-helixtrans-63.2-42.1177.7-1770000112.8K21 A283 T284 A285 A291K21-S287 PolarHBondContact NZ-OG 2.91Å; A283-S287 WeakPolarHBondContact O-CB 3.4Å; A283-S287 PolarHBondContact O-N 3.46Å; T284-S287 PolarHBondContact O-N 3.33Å; A285-S287 VanDerWaalsContact C-N 3.34Å; A285-S287 PolarHBondContact O-N 3.09Å; S287-A291 WeakPolarHBondContact O-CB 3.5Å; S287-A291 PolarHBondContact O-N 3.04Å; S287-A291 VanDerWaalsContact O-N 3.15Å
288W97.3Very high95.6Very high8 Ų839 Ų393%0.0322%0.215CC..Hα-helixtrans-65.1-45174.2-87.2111.3000112K21 V25 A38 L40 L45 I264 T284 A285 H286 A291 I292K21-W288 HydrophobicContact CB-CE3 4.48Å; K21-W288 HydrophobicContact CB-CH2 4.08Å; K21-W288 HydrophobicContact CB-CZ3 3.95Å; K21-W288 HydrophobicContact CD-CD2 3.6Å; K21-W288 HydrophobicContact CD-CE3 3.64Å; K21-W288 HydrophobicContact CD-CG 4.16Å; K21-W288 HydrophobicContact CD-CH2 4.12Å; K21-W288 HydrophobicContact CD-CZ2 4.1Å; K21-W288 HydrophobicContact CD-CZ3 3.9Å; K21-W288 HydrophobicContact CG-CD2 4.34Å; K21-W288 HydrophobicContact CG-CE3 4.19Å; K21-W288 HydrophobicContact CG-CH2 3.78Å; K21-W288 HydrophobicContact CG-CZ2 3.94Å; K21-W288 HydrophobicContact CG-CZ3 3.92Å; V25-W288 HydrophobicContact CG1-CZ2 4.37Å; A38-W288 HydrophobicContact CB-CH2 3.81Å; A38-W288 HydrophobicContact CB-CZ2 4.23Å; A38-W288 HydrophobicContact CB-CZ3 4.26Å; A38-W288 WeakPolarHBondContact O-CH2 3.3Å; L40-W288 HydrophobicContact CB-CZ3 4.13Å; L45-W288 HydrophobicContact CD1-CZ3 4.48Å; I264-W288 HydrophobicContact CD1-CB 3.44Å; I264-W288 VanDerWaalsContact CD1-CB 3.44Å; T284-W288 VanDerWaalsContact O-CD1 3.28Å; T284-W288 PolarHBondContact O-N 3.26Å; A285-W288 PolarHBondContact O-N 3.08Å; H286-W288 PolarHBondContact O-N 3.02Å; W288-A291 PolarHBondContact O-N 3.36Å; W288-I292 HydrophobicContact CE3-CD1 4.4Å; W288-I292 WeakPolarHBondContact O-CG1 3.41Å; W288-I292 PolarHBondContact O-N 3.17Å
289F96.6Very high95.6Very high7 Ų736.6 Ų36.63%0.03121%0.207CC..Hα-helixtrans-58.3-51.2178.1174.6-102000111.7A250 R252 I264 A285 H286 A291 I292 H293 E417 T418A250-F289 HydrophobicContact CB-CE2 4.31Å; R252-F289 HydrophobicContact CG-CD2 3.7Å; R252-F289 HydrophobicContact CG-CE2 3.59Å; R252-F289 HydrophobicContact CG-CG 4.28Å; R252-F289 HydrophobicContact CG-CZ 4.07Å; I264-F289 HydrophobicContact CD1-CB 4.12Å; I264-F289 HydrophobicContact CG1-CB 4.24Å; I264-F289 HydrophobicContact CG2-CD2 4.28Å; A285-F289 VanDerWaalsContact O-CB 3.29Å; A285-F289 WeakPolarHBondContact O-CB 3.41Å; A285-F289 PolarHBondContact O-N 3.38Å; H286-F289 PolarHBondContact O-N 3.28Å; F289-A291 VanDerWaalsContact C-N 3.29Å; F289-A291 PolarHBondContact O-N 3.39Å; F289-I292 PolarHBondContact O-N 3.26Å; F289-H293 WeakPolarHBondContact O-CB 3.22Å; F289-H293 PolarHBondContact O-N 3Å; F289-E417 HydrophobicContact CZ-CB 3.79Å; F289-E417 HydrophobicContact CZ-CG 4.18Å; F289-E417 WeakPolarHBondContact CZ-OE2 3.27Å; F289-T418 HydrophobicContact CE1-CG2 4.22Å
290V95.4Very high95.5Very high60 Ų6037.4 Ų37.436%0.36421%0.211SC..Hα-helixtrans-59.1-42.1178.2170.60000110.9H286 T294H286-V290 WeakPolarHBondContact O-CB 3.41Å; H286-V290 VanDerWaalsContact O-CG2 3.31Å; H286-V290 WeakPolarHBondContact O-CG2 3.29Å; H286-V290 PolarHBondContact O-N 3.23Å; V290-T294 WeakPolarHBondContact O-CB 3.26Å; V290-T294 PolarHBondContact O-N 2.49Å; V290-T294 PolarHBondContact O-OG1 2.94Å
291A96.6Very high95.5Very high10 Ų1031.4 Ų31.48%0.08319%0.19CC..Hα-helixtrans-64.5-47.317900000112.3A19 K21 L40 S287 W288 F289 N295A19-A291 HydrophobicContact CB-CB 3.96Å; K21-A291 HydrophobicContact CD-CB 4.14Å; L40-A291 HydrophobicContact CD2-CB 3.66Å; S287-A291 WeakPolarHBondContact O-CB 3.5Å; S287-A291 PolarHBondContact O-N 3.04Å; S287-A291 VanDerWaalsContact O-N 3.15Å; W288-A291 PolarHBondContact O-N 3.36Å; F289-A291 VanDerWaalsContact C-N 3.29Å; F289-A291 PolarHBondContact O-N 3.39Å; A291-N295 PolarHBondContact O-N 2.89Å; A291-N295 VanDerWaalsContact O-N 3.16Å
292I97.4Very high95.6Very high0 Ų033.1 Ų33.10%020%0.196CC..Hα-helixtrans-64-51178.1-67.2166.8000110.2L40 L45 L245 A250 L266 L277 W288 F289 T294 N295 I296L40-I292 HydrophobicContact CD1-CG1 4.26Å; L40-I292 HydrophobicContact CD2-CG1 4.37Å; L45-I292 HydrophobicContact CD2-CD1 4.45Å; L245-I292 HydrophobicContact CD2-CG2 4.15Å; A250-I292 HydrophobicContact CB-CG2 4.07Å; L266-I292 HydrophobicContact CD1-CG2 4.02Å; L277-I292 HydrophobicContact CD1-CD1 4.43Å; W288-I292 HydrophobicContact CE3-CD1 4.4Å; W288-I292 WeakPolarHBondContact O-CG1 3.41Å; W288-I292 PolarHBondContact O-N 3.17Å; F289-I292 PolarHBondContact O-N 3.26Å; I292-T294 VanDerWaalsContact C-N 3.34Å; I292-T294 PolarHBondContact O-N 2.95Å; I292-N295 PolarHBondContact O-N 3.45Å; I292-N295 VanDerWaalsContact O-N 3.14Å; I292-I296 HydrophobicContact CG2-CD1 3.86Å; I292-I296 HydrophobicContact CG2-CG1 4.47Å; I292-I296 WeakPolarHBondContact O-CG1 3.34Å; I292-I296 PolarHBondContact O-N 2.85Å
293H96Very high95.6Very high21 Ų2130.4 Ų30.410%0.09718%0.179CC..Hα-helixtrans-58.8-43.8-179.9-173.5-86.9000111.8F289 N295 I296 M297 D421F289-H293 WeakPolarHBondContact O-CB 3.22Å; F289-H293 PolarHBondContact O-N 3Å; H293-N295 VanDerWaalsContact C-N 3.32Å; H293-N295 PolarHBondContact O-N 2.84Å; H293-I296 PolarHBondContact O-N 3.16Å; H293-M297 WeakPolarHBondContact O-CG 3.42Å; H293-M297 PolarHBondContact O-N 2.89Å; H293-D421 IonicContact CE1-OD1 2.65Å; H293-D421 PolarHBondContact CE1-OD1 2.99Å; H293-D421 IonicContact CE1-OD2 2.72Å; H293-D421 PolarHBondContact CE1-OD2 3.1Å; H293-D421 IonicContact NE2-OD2 2.78Å; H293-D421 PolarHBondContact NE2-OD2 3.18Å
294T95.2Very high95.6Very high33 Ų3328.2 Ų28.220%0.20216%0.157CC..Hα-helixtrans-60.2-41.6176.7-60.90000111.7W16 V290 I292 M297 A298W16-T294 HydrophobicContact CE3-CG2 4.06Å; V290-T294 WeakPolarHBondContact O-CB 3.26Å; V290-T294 PolarHBondContact O-N 2.49Å; V290-T294 PolarHBondContact O-OG1 2.94Å; I292-T294 VanDerWaalsContact C-N 3.34Å; I292-T294 PolarHBondContact O-N 2.95Å; T294-M297 PolarHBondContact O-N 3.44Å; T294-A298 WeakPolarHBondContact O-CB 3.24Å; T294-A298 PolarHBondContact O-N 3.16Å
295N96.8Very high95.5Very high0 Ų029.1 Ų29.10%017%0.169CC..Hα-helixtrans-67.8-40.8177.7-75.54.5000112.4A19 L40 G42 L245 A291 I292 H293 M297 A298 L299A19-N295 PolarHBondContact N-OD1 2.81Å; A19-N295 PolarHBondContact O-ND2 3.06Å; L40-N295 WeakPolarHBondContact CD2-ND2 3.45Å; L40-N295 VanDerWaalsContact CG-ND2 3.32Å; L40-N295 WeakPolarHBondContact CG-ND2 3.23Å; G42-N295 WeakPolarHBondContact CA-ND2 3.37Å; L245-N295 HydrophobicContact CD1-CB 3.79Å; A291-N295 PolarHBondContact O-N 2.89Å; A291-N295 VanDerWaalsContact O-N 3.16Å; I292-N295 PolarHBondContact O-N 3.45Å; I292-N295 VanDerWaalsContact O-N 3.14Å; H293-N295 VanDerWaalsContact C-N 3.32Å; H293-N295 PolarHBondContact O-N 2.84Å; N295-M297 VanDerWaalsContact C-N 3.35Å; N295-A298 PolarHBondContact O-N 2.89Å; N295-L299 WeakPolarHBondContact O-CG 3.38Å; N295-L299 PolarHBondContact O-N 2.92Å
296I96.3Very high95.4Very high8 Ų833.1 Ų33.14%0.04119%0.188CC..Hα-helixtrans-59.3-48.1174-62.8167.5000109.8L245 C248 A250 L266 I292 H293 A298 L299L245-I296 HydrophobicContact CB-CG1 4.01Å; L245-I296 HydrophobicContact CD2-CG1 4.34Å; C248-I296 HydrophobicContact CB-CD1 4.08Å; C248-I296 HydrophobicContact CB-CG1 4.49Å; C248-I296 VanDerWaalsContact O-CG2 3.26Å; C248-I296 WeakPolarHBondContact O-CG2 3.01Å; A250-I296 HydrophobicContact CB-CD1 3.77Å; L266-I296 HydrophobicContact CD1-CD1 3.9Å; I292-I296 HydrophobicContact CG2-CD1 3.86Å; I292-I296 HydrophobicContact CG2-CG1 4.47Å; I292-I296 WeakPolarHBondContact O-CG1 3.34Å; I292-I296 PolarHBondContact O-N 2.85Å; H293-I296 PolarHBondContact O-N 3.16Å; I296-A298 VanDerWaalsContact C-N 3.33Å; I296-A298 PolarHBondContact O-N 3.03Å; I296-L299 WeakPolarHBondContact O-CB 3.27Å; I296-L299 PolarHBondContact O-N 3.11Å
297M94.8Very high95.3Very high35 Ų3528.4 Ų28.417%0.17217%0.166CC..Hα-helixtrans-65.2-34.4178.8-67.3-58.7104.900112.8W16 H293 T294 N295 L299 L300W16-M297 HydrophobicContact CH2-CB 4.29Å; W16-M297 HydrophobicContact CZ3-CB 4.23Å; H293-M297 WeakPolarHBondContact O-CG 3.42Å; H293-M297 PolarHBondContact O-N 2.89Å; T294-M297 PolarHBondContact O-N 3.44Å; N295-M297 VanDerWaalsContact C-N 3.35Å; M297-L299 PolarHBondContact O-N 3.28Å; M297-L300 VanDerWaalsContact O-CB 3.26Å; M297-L300 WeakPolarHBondContact O-CB 3.29Å; M297-L300 PolarHBondContact O-N 3.21Å; M297-L300 VanDerWaalsContact O-N 3.12Å
298A94.6Very high95.1Very high18 Ų1827.9 Ų27.915%0.14916%0.159CC..Hα-helixtrans-64.5-23.4176.400000113.2W16 T294 N295 I296W16-A298 HydrophobicContact CB-CB 3.53Å; W16-A298 HydrophobicContact CG-CB 4.19Å; T294-A298 WeakPolarHBondContact O-CB 3.24Å; T294-A298 PolarHBondContact O-N 3.16Å; N295-A298 PolarHBondContact O-N 2.89Å; I296-A298 VanDerWaalsContact C-N 3.33Å; I296-A298 PolarHBondContact O-N 3.03Å
299L95.4Very high94.8Very high7 Ų730.5 Ų30.54%0.03718%0.183CC..Hα-helixtrans-83.2-15.8176.3-65.7168.5000112.9E43 L245 K246 N295 I296 M297 Q302 V303E43-L299 HydrophobicContact CB-CD2 4.48Å; E43-L299 HydrophobicContact CG-CD2 4.11Å; L245-L299 HydrophobicContact CB-CD1 4.04Å; K246-L299 HydrophobicContact CB-CD1 4.19Å; N295-L299 WeakPolarHBondContact O-CG 3.38Å; N295-L299 PolarHBondContact O-N 2.92Å; I296-L299 WeakPolarHBondContact O-CB 3.27Å; I296-L299 PolarHBondContact O-N 3.11Å; M297-L299 PolarHBondContact O-N 3.28Å; L299-Q302 PolarHBondContact O-N 3.38Å; L299-V303 WeakPolarHBondContact O-CG2 3.26Å; L299-V303 PolarHBondContact O-N 3.24Å; L299-V303 VanDerWaalsContact O-N 3.07Å
300L94.6Very high94.4Very high17 Ų1732.3 Ų32.39%0.08919%0.192CC..Hα-helixtrans-60-42.4-173.8-179.158.4000114.1M247 M297 Q302 V303 L304 I326M247-L300 HydrophobicContact SD-CD1 4.43Å; M297-L300 VanDerWaalsContact O-CB 3.26Å; M297-L300 WeakPolarHBondContact O-CB 3.29Å; M297-L300 PolarHBondContact O-N 3.21Å; M297-L300 VanDerWaalsContact O-N 3.12Å; L300-Q302 VanDerWaalsContact C-N 3.29Å; L300-Q302 PolarHBondContact O-N 3.12Å; L300-V303 WeakPolarHBondContact O-CB 3.49Å; L300-V303 PolarHBondContact O-N 3.1Å; L300-V303 VanDerWaalsContact O-N 3.17Å; L300-L304 HydrophobicContact CD1-CD1 4.33Å; L300-L304 HydrophobicContact CD1-CG 4.09Å; L300-L304 HydrophobicContact CG-CD1 4.14Å; L300-L304 HydrophobicContact CG-CG 4.39Å; L300-L304 WeakPolarHBondContact O-CG 3.3Å; L300-L304 PolarHBondContact O-N 2.72Å; L300-I326 HydrophobicContact CD1-CG2 3.65Å; L300-I326 WeakPolarHBondContact CD1-O 3.5Å
301P95.1Very high94Very high45 Ų4530.9 Ų30.929%0.29218%0.182SC..Hα-helixtrans-59.7-38.5177.2-2535.5000113.2M13 L304 A305M13-P301 HydrophobicContact CE-CB 4.35Å; M13-P301 HydrophobicContact SD-CB 4.06Å; M13-P301 HydrophobicContact SD-CG 4.21Å; P301-L304 PolarHBondContact O-N 2.99Å; P301-A305 PolarHBondContact O-N 3.11Å; P301-A305 VanDerWaalsContact O-N 3.08Å
302Q95.1Very high93.3Very high91 Ų9132.3 Ų32.343%0.42520%0.198SC..Hα-helixtrans-66.5-44.5175.6-178.9-175.3-12.200110.9L299 L300 L304 A305 E306L299-Q302 PolarHBondContact O-N 3.38Å; L300-Q302 VanDerWaalsContact C-N 3.29Å; L300-Q302 PolarHBondContact O-N 3.12Å; Q302-L304 VanDerWaalsContact C-N 3.33Å; Q302-L304 PolarHBondContact O-N 3.05Å; Q302-A305 PolarHBondContact O-N 2.83Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.36Å; Q302-E306 PolarHBondContact NE2-OE1 2.96Å; Q302-E306 WeakPolarHBondContact O-CG 3.15Å; Q302-E306 PolarHBondContact O-N 3.29Å
303V94.9Very high92Very high3 Ų336.1 Ų36.12%0.01823%0.229CC..Hα-helixtrans-57.2-47.3175.9173.40000110.8K246 M247 L299 L300 A305 E306 L307 M360K246-V303 HydrophobicContact CD-CG2 4.23Å; K246-V303 HydrophobicContact CG-CG2 3.71Å; M247-V303 HydrophobicContact CG-CG1 3.94Å; M247-V303 HydrophobicContact CG-CG2 3.92Å; M247-V303 HydrophobicContact SD-CB 4.26Å; M247-V303 HydrophobicContact SD-CG1 3.76Å; M247-V303 HydrophobicContact SD-CG2 3.96Å; L299-V303 WeakPolarHBondContact O-CG2 3.26Å; L299-V303 PolarHBondContact O-N 3.24Å; L299-V303 VanDerWaalsContact O-N 3.07Å; L300-V303 WeakPolarHBondContact O-CB 3.49Å; L300-V303 PolarHBondContact O-N 3.1Å; L300-V303 VanDerWaalsContact O-N 3.17Å; V303-A305 VanDerWaalsContact C-N 3.34Å; V303-A305 PolarHBondContact O-N 2.98Å; V303-E306 PolarHBondContact O-N 2.78Å; V303-L307 HydrophobicContact CG1-CD1 3.73Å; V303-L307 HydrophobicContact CG1-CG 4.11Å; V303-L307 WeakPolarHBondContact O-CB 3.38Å; V303-L307 VanDerWaalsContact O-CG 3.26Å; V303-L307 WeakPolarHBondContact O-CG 3.48Å; V303-L307 PolarHBondContact O-N 3.1Å; V303-M360 HydrophobicContact CG1-CE 4.2Å
304L94.4Very high90.4Very high27 Ų2739.4 Ų39.414%0.14125%0.251CS..Hα-helixtrans-61.6-40.8179.2-74171.8000112.4L300 P301 Q302 L307 N308 V323 I326L300-L304 HydrophobicContact CD1-CD1 4.33Å; L300-L304 HydrophobicContact CD1-CG 4.09Å; L300-L304 HydrophobicContact CG-CD1 4.14Å; L300-L304 HydrophobicContact CG-CG 4.39Å; L300-L304 WeakPolarHBondContact O-CG 3.3Å; L300-L304 PolarHBondContact O-N 2.72Å; P301-L304 PolarHBondContact O-N 2.99Å; Q302-L304 VanDerWaalsContact C-N 3.33Å; Q302-L304 PolarHBondContact O-N 3.05Å; L304-L307 PolarHBondContact O-N 2.9Å; L304-N308 WeakPolarHBondContact O-CB 3.45Å; L304-N308 PolarHBondContact O-N 3.24Å; L304-N308 PolarHBondContact O-ND2 2.88Å; L304-V323 HydrophobicContact CD2-CB 4.3Å; L304-V323 HydrophobicContact CD2-CG1 3.8Å; L304-I326 HydrophobicContact CD2-CB 4.46Å; L304-I326 HydrophobicContact CD2-CG2 3.7Å; L304-I326 HydrophobicContact CG-CG2 4.37Å
305A94.1Very high88.7Confident63 Ų6340.8 Ų40.852%0.52126%0.262SS..Hα-helixtrans-63.5-45.7176.800000111.9P301 Q302 V303 A309P301-A305 PolarHBondContact O-N 3.11Å; P301-A305 VanDerWaalsContact O-N 3.08Å; Q302-A305 PolarHBondContact O-N 2.83Å; V303-A305 VanDerWaalsContact C-N 3.34Å; V303-A305 PolarHBondContact O-N 2.98Å; A305-A309 WeakPolarHBondContact O-CB 3.04Å; A305-A309 PolarHBondContact O-N 2.87Å
306E92.9Very high86.4Confident85 Ų8547.1 Ų47.140%0.39730%0.301SS..Hα-helixtrans-64.5-43177.2-69.2174.9-158.700112.1K246 Q302 V303 A309 M310K246-E306 VanDerWaalsContact NZ-CD 3.31Å; K246-E306 IonicContact NZ-OE1 2.8Å; K246-E306 PolarHBondContact NZ-OE1 3.41Å; K246-E306 IonicContact NZ-OE2 3.33Å; K246-E306 PolarHBondContact NZ-OE2 3.15Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.36Å; Q302-E306 PolarHBondContact NE2-OE1 2.96Å; Q302-E306 WeakPolarHBondContact O-CG 3.15Å; Q302-E306 PolarHBondContact O-N 3.29Å; V303-E306 PolarHBondContact O-N 2.78Å; E306-A309 PolarHBondContact O-N 3.41Å; E306-M310 WeakPolarHBondContact O-CB 3.17Å; E306-M310 PolarHBondContact O-N 3.4Å
307L91Very high83.9Confident7 Ų751.9 Ų51.94%0.03734%0.341CS..Hα-helixtrans-61.3-49.9176.5-75.6174.3000111.6V303 L304 A309 M310 L311 I326 M360V303-L307 HydrophobicContact CG1-CD1 3.73Å; V303-L307 HydrophobicContact CG1-CG 4.11Å; V303-L307 WeakPolarHBondContact O-CB 3.38Å; V303-L307 VanDerWaalsContact O-CG 3.26Å; V303-L307 WeakPolarHBondContact O-CG 3.48Å; V303-L307 PolarHBondContact O-N 3.1Å; L304-L307 PolarHBondContact O-N 2.9Å; L307-A309 VanDerWaalsContact C-N 3.3Å; L307-A309 PolarHBondContact O-N 2.82Å; L307-M310 HydrophobicContact CD2-CE 3.67Å; L307-M310 WeakPolarHBondContact O-CB 3.46Å; L307-M310 PolarHBondContact O-N 3.42Å; L307-L311 WeakPolarHBondContact O-CG 3.4Å; L307-L311 PolarHBondContact O-N 2.78Å; L307-I326 HydrophobicContact CD1-CD1 4.1Å; L307-I326 HydrophobicContact CD1-CG2 4.01Å; L307-M360 HydrophobicContact CD1-CE 4.03Å; L307-M360 HydrophobicContact CD2-CE 3.83Å; L307-M360 HydrophobicContact CG-CE 4.3Å
308N92.5Very high81.6Confident40 Ų4054 Ų5421%0.21437%0.372CS..Hα-helixtrans-66.2-33.3-179.6-76.8-38.8000112L304 G312 V323L304-N308 WeakPolarHBondContact O-CB 3.45Å; L304-N308 PolarHBondContact O-N 3.24Å; L304-N308 PolarHBondContact O-ND2 2.88Å; N308-G312 WeakPolarHBondContact O-CA 3.41Å; N308-G312 PolarHBondContact O-N 3.12Å; N308-V323 PolarHBondContact ND2-O 3.06Å; N308-V323 PolarHBondContact OD1-N 3.3Å
309A90.9Very high79.7Confident64 Ų6455.4 Ų55.453%0.52939%0.389SS..Hα-helixtrans-64.2-44.9171.200000111.8A305 E306 L307 L311 G312 A313A305-A309 WeakPolarHBondContact O-CB 3.04Å; A305-A309 PolarHBondContact O-N 2.87Å; E306-A309 PolarHBondContact O-N 3.41Å; L307-A309 VanDerWaalsContact C-N 3.3Å; L307-A309 PolarHBondContact O-N 2.82Å; A309-L311 PolarHBondContact O-N 3.2Å; A309-G312 PolarHBondContact O-N 2.87Å; A309-A313 WeakPolarHBondContact O-CB 3.34Å; A309-A313 PolarHBondContact O-N 2.88Å; A309-A313 VanDerWaalsContact O-N 3.14Å
310M88.5Confident77.7Confident45 Ų4558.1 Ų58.122%0.22241%0.408CS..Hα-helixtrans-62.1-40.2177.8173.3-95.2-74.500112.5E306 L307 R364E306-M310 WeakPolarHBondContact O-CB 3.17Å; E306-M310 PolarHBondContact O-N 3.4Å; L307-M310 HydrophobicContact CD2-CE 3.67Å; L307-M310 WeakPolarHBondContact O-CB 3.46Å; L307-M310 PolarHBondContact O-N 3.42Å; M310-R364 HydrophobicContact CG-CG 3.91Å; M310-R364 HydrophobicContact SD-CB 4.33Å; M310-R364 HydrophobicContact SD-CG 3.32Å; M310-R364 WeakPolarHBondContact SD-CG 3.5Å
311L87.5Confident76.5Confident29 Ų2962.8 Ų62.815%0.15243%0.428CS..Hα-helixtrans-78.3-34.1178.5-64.6173000112.9L307 A309 V323 W367L307-L311 WeakPolarHBondContact O-CG 3.4Å; L307-L311 PolarHBondContact O-N 2.78Å; A309-L311 PolarHBondContact O-N 3.2Å; L311-V323 HydrophobicContact CD1-CG2 3.69Å; L311-W367 HydrophobicContact CD1-CD2 4.21Å; L311-W367 HydrophobicContact CD1-CG 4.16Å; L311-W367 HydrophobicContact CD2-CB 4.03Å; L311-W367 VanDerWaalsContact CD2-CD1 3.45Å; L311-W367 HydrophobicContact CD2-CG 3.71Å
312G82.1Confident76.2Confident41 Ų4164.1 Ų64.142%0.42343%0.43SS..Hα-helixtrans-76.5-26.3-177.800000114.7N308 A309 T314 S315N308-G312 WeakPolarHBondContact O-CA 3.41Å; N308-G312 PolarHBondContact O-N 3.12Å; A309-G312 PolarHBondContact O-N 2.87Å; G312-T314 PolarHBondContact O-N 3.4Å; G312-S315 PolarHBondContact O-N 2.72Å
313A69.4Low76.2Confident79 Ų7959.9 Ų59.965%0.65341%0.411SS*.THydrogen-bonded Turntrans-59.7-14.5-170.900000116.2A309A309-A313 WeakPolarHBondContact O-CB 3.34Å; A309-A313 PolarHBondContact O-N 2.88Å; A309-A313 VanDerWaalsContact O-N 3.14Å
314T62.8Low76.2Confident90 Ų9064.5 Ų64.555%0.55243%0.43SS*.THydrogen-bonded Turntrans-138.118.4175.174.80000113.8G312 T316 R364G312-T314 PolarHBondContact O-N 3.4Å; T314-T316 PolarHBondContact O-N 2.86Å; T314-R364 PolarHBondContact OG1-NH1 2.79Å; T314-R364 PolarHBondContact OG1-NH2 2.83Å
315S58.7Low76.3Confident63 Ų6364.6 Ų64.644%0.44143%0.43SS..  trans-73.8101.5177.688.90000109.3G312 A317G312-S315 PolarHBondContact O-N 2.72Å; S315-A317 PolarHBondContact O-N 3.06Å
316T48.5Very low76.4Confident132 Ų13261.6 Ų61.681%0.8141%0.405SS*.  trans-72.4122.3165.747.50000108.6T314T314-T316 PolarHBondContact O-N 2.86Å
317A44.4Very low76.6Confident108 Ų10857.8 Ų57.889%0.89339%0.388SS*.SBendtrans16.3105.6169.200000117.6S315S315-A317 PolarHBondContact O-N 3.06Å
318G46.1Very low76.9Confident79 Ų7958.4 Ų58.481%0.81439%0.39SS*.SBendtrans120.2-8.3154.800000117.5
319G53.8Low77.1Confident49 Ų4956.6 Ų56.651%0.50538%0.381SS..  trans-126.735.1-172.300000115.5K321G319-K321 PolarHBondContact O-N 2.81Å; G319-K321 VanDerWaalsContact O-N 3.08Å
320S53.9Low77.3Confident64 Ų6453.6 Ų53.645%0.44836%0.356SS..  trans-52.7118.9172.6171.90000109.3E322 E351S320-E322 PolarHBondContact OG-N 2.81Å; S320-E351 VanDerWaalsContact O-OE2 3.11Å; S320-E351 PolarHBondContact OG-OE2 2.92Å; S320-E351 VanDerWaalsContact OG-OE2 3.08Å
321K70.3Confident77.6Confident115 Ų11551.9 Ų51.950%0.535%0.347SS..  trans-105.961.3167.7-70.1-171.5176.1-169.90107.1G319 V323G319-K321 PolarHBondContact O-N 2.81Å; G319-K321 VanDerWaalsContact O-N 3.08Å; K321-V323 PolarHBondContact O-N 2.96Å
322E88.9Confident77.8Confident73 Ų7352.5 Ų52.534%0.34135%0.349SS..  trans-59.8124.7178.3-167.6-166.3145.500108.5S320 K324 T350 E351S320-E322 PolarHBondContact OG-N 2.81Å; E322-K324 PolarHBondContact O-N 2.88Å; E322-K324 IonicContact OE1-NZ 3.64Å; E322-K324 PolarHBondContact OE1-NZ 2.8Å; E322-K324 IonicContact OE2-NZ 2.91Å; E322-K324 PolarHBondContact OE2-NZ 2.8Å; E322-T350 CarbonylContact O-C 3.51Å; E322-T350 WeakPolarHBondContact O-CA 3.47Å; E322-E351 HydrophobicContact CB-CG 3.88Å; E322-E351 PolarHBondContact N-OE2 2.88Å; E322-E351 PolarHBondContact O-N 2.9Å
323V94.1Very high77.9Confident2 Ų251.2 Ų51.21%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-80.7114.5176-172.80000107.3L304 N308 L311 K321 I326 A348 T350 W367L304-V323 HydrophobicContact CD2-CB 4.3Å; L304-V323 HydrophobicContact CD2-CG1 3.8Å; N308-V323 PolarHBondContact ND2-O 3.06Å; N308-V323 PolarHBondContact OD1-N 3.3Å; L311-V323 HydrophobicContact CD1-CG2 3.69Å; K321-V323 PolarHBondContact O-N 2.96Å; V323-I326 HydrophobicContact CG1-CB 4.34Å; V323-A348 HydrophobicContact CG1-CB 4.49Å; V323-T350 HydrophobicContact CG2-CG2 4.49Å; V323-W367 HydrophobicContact CB-CZ2 4.5Å; V323-W367 HydrophobicContact CG1-CH2 4.31Å; V323-W367 HydrophobicContact CG1-CZ2 4.24Å; V323-W367 HydrophobicContact CG2-CH2 4.1Å; V323-W367 HydrophobicContact CG2-CZ2 3.41Å; V323-W367 VanDerWaalsContact CG2-CZ2 3.41Å
324K94.9Very high78.3Confident99 Ų9956.1 Ų56.143%0.4334%0.341SS..EExtended strand (participates in β ladder)trans-86.9-31.9180-61.5-63.8178.7-176.90111.7E322 V349E322-K324 PolarHBondContact O-N 2.88Å; E322-K324 IonicContact OE1-NZ 3.64Å; E322-K324 PolarHBondContact OE1-NZ 2.8Å; E322-K324 IonicContact OE2-NZ 2.91Å; E322-K324 PolarHBondContact OE2-NZ 2.8Å; K324-V349 PolarHBondContact N-O 3.27Å
325H96.9Very high78.9Confident29 Ų2955.6 Ų55.613%0.13434%0.335CS..EExtended strand (participates in β ladder)trans-155.2150177-160.969.4000111.8A348 V349 W425 I428H325-A348 CarbonylContact O-C 3.54Å; H325-A348 WeakPolarHBondContact O-CA 3.09Å; H325-V349 HydrophobicContact CB-CB 4.46Å; H325-V349 PolarHBondContact N-O 3.42Å; H325-V349 VanDerWaalsContact N-O 3.15Å; H325-V349 PolarHBondContact O-N 3.3Å; H325-W425 AromaticContact CD2-CH2 3.62Å; H325-W425 AromaticContact CD2-CZ2 3.76Å; H325-W425 AromaticContact CD2-CZ3 3.82Å; H325-I428 HydrophobicContact CB-CD1 4.13Å; H325-I428 HydrophobicContact CB-CG2 3.85Å
326I96.8Very high79.5Confident0 Ų060.6 Ų60.60%036%0.356CS..EExtended strand (participates in β ladder)trans-151.7131.1173.2-170.9176.6000109.3M247 L300 L304 L307 V323 L346 M347 A348 M360 W367M247-I326 HydrophobicContact CE-CD1 4.27Å; M247-I326 HydrophobicContact CE-CG1 4.17Å; M247-I326 HydrophobicContact CE-CG2 4.26Å; L300-I326 HydrophobicContact CD1-CG2 3.65Å; L300-I326 WeakPolarHBondContact CD1-O 3.5Å; L304-I326 HydrophobicContact CD2-CB 4.46Å; L304-I326 HydrophobicContact CD2-CG2 3.7Å; L304-I326 HydrophobicContact CG-CG2 4.37Å; L307-I326 HydrophobicContact CD1-CD1 4.1Å; L307-I326 HydrophobicContact CD1-CG2 4.01Å; V323-I326 HydrophobicContact CG1-CB 4.34Å; I326-L346 HydrophobicContact CD1-CD1 4.33Å; I326-L346 HydrophobicContact CD1-CD2 3.83Å; I326-L346 HydrophobicContact CD1-CG 4.17Å; I326-L346 HydrophobicContact CG1-CD1 3.95Å; I326-L346 HydrophobicContact CG1-CD2 4.25Å; I326-L346 HydrophobicContact CG1-CG 4.02Å; I326-M347 VanDerWaalsContact CA-O 3.32Å; I326-M347 WeakPolarHBondContact CA-O 3.29Å; I326-A348 HydrophobicContact CB-CB 4.27Å; I326-A348 HydrophobicContact CD1-CB 4.27Å; I326-A348 HydrophobicContact CG1-CB 3.98Å; I326-M360 HydrophobicContact CD1-CE 4.32Å; I326-M360 HydrophobicContact CD1-SD 4.01Å; I326-W367 HydrophobicContact CD1-CH2 3.73Å; I326-W367 HydrophobicContact CD1-CZ3 3.76Å
327A97.2Very high80.5Confident6 Ų658.1 Ų58.15%0.0536%0.357CS..EExtended strand (participates in β ladder)trans-163.4159.8172.300000111.4M347 W425A327-M347 PolarHBondContact N-O 3.31Å; A327-M347 PolarHBondContact O-N 3.28Å; A327-W425 HydrophobicContact CB-CZ2 3.73Å
328W97.7Very high81.7Confident19 Ų1956.2 Ų56.27%0.07235%0.348CS..EExtended strand (participates in β ladder)trans-75.1142.3173.8-73.6105.7000111.5M247 F249 P269 P344 V345 L346 D358M247-W328 PolarHBondContact O-NE1 3.38Å; F249-W328 HydrophobicContact CB-CB 3.61Å; F249-W328 HydrophobicContact CB-CD2 4.14Å; F249-W328 HydrophobicContact CB-CG 3.63Å; F249-W328 HydrophobicContact CD1-CB 4.25Å; F249-W328 HydrophobicContact CD2-CB 3.42Å; F249-W328 VanDerWaalsContact CD2-CB 3.42Å; F249-W328 HydrophobicContact CD2-CG 4.37Å; F249-W328 HydrophobicContact CE2-CB 4.12Å; F249-W328 HydrophobicContact CG-CB 3.5Å; F249-W328 HydrophobicContact CG-CG 4.05Å; P269-W328 VanDerWaalsContact O-CZ2 3.31Å; P269-W328 WeakPolarHBondContact O-CZ2 3.32Å; W328-P344 HydrophobicContact CE3-CB 4.14Å; W328-P344 HydrophobicContact CZ3-CB 4.03Å; W328-V345 VanDerWaalsContact CE3-C 3.43Å; W328-L346 HydrophobicContact CD2-CB 4.1Å; W328-L346 HydrophobicContact CD2-CD1 3.8Å; W328-L346 HydrophobicContact CE3-CB 3.92Å; W328-L346 HydrophobicContact CE3-CD1 4.45Å; W328-L346 HydrophobicContact CG-CD1 3.89Å; W328-L346 HydrophobicContact CH2-CB 3.98Å; W328-L346 HydrophobicContact CZ2-CB 4.14Å; W328-L346 HydrophobicContact CZ2-CD1 4.31Å; W328-L346 HydrophobicContact CZ3-CB 3.87Å; W328-D358 WeakPolarHBondContact CH2-O 3.33Å
329L96.4Very high83Confident3 Ų361.7 Ų61.72%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-139.4171.1178-64.5175.8000109P344 V345 M347 F399 F414 V416 W425L329-P344 CarbonylContact O-C 3.6Å; L329-P344 WeakPolarHBondContact O-CA 3.27Å; L329-V345 HydrophobicContact CB-CG1 4.04Å; L329-V345 PolarHBondContact N-O 3Å; L329-V345 PolarHBondContact O-N 3.19Å; L329-M347 HydrophobicContact CD1-CB 3.84Å; L329-M347 HydrophobicContact CD1-CE 3.72Å; L329-M347 HydrophobicContact CD1-SD 3.98Å; L329-F399 HydrophobicContact CD1-CE1 4.13Å; L329-F399 HydrophobicContact CD1-CZ 3.79Å; L329-F399 HydrophobicContact CD2-CE1 4.42Å; L329-F414 HydrophobicContact CD1-CB 4.38Å; L329-F414 HydrophobicContact CD1-CD1 4.33Å; L329-F414 HydrophobicContact CD1-CG 4.4Å; L329-V416 HydrophobicContact CD2-CB 4.47Å; L329-V416 HydrophobicContact CD2-CG1 3.45Å; L329-V416 VanDerWaalsContact CD2-CG1 3.45Å; L329-W425 HydrophobicContact CD1-CD2 4.33Å; L329-W425 HydrophobicContact CD1-CH2 4.23Å; L329-W425 HydrophobicContact CD1-CZ2 3.79Å; L329-W425 HydrophobicContact CD2-CZ2 4.17Å; L329-W425 VanDerWaalsContact CD2-NE1 3.34Å; L329-W425 HydrophobicContact CG-CZ2 3.96Å
330A95.1Very high84.2Confident0 Ų065.3 Ų65.30%035%0.348CS..EExtended strand (participates in β ladder)trans-106.5124.3165.600000110.1F249 L254 W342 R343 F414 R415F249-A330 HydrophobicContact CZ-CB 4.49Å; L254-A330 HydrophobicContact CD1-CB 3.61Å; A330-W342 HydrophobicContact CB-CB 4.25Å; A330-W342 HydrophobicContact CB-CE3 4.06Å; A330-R343 CarbonylContact C-O 3.42Å; A330-R343 VanDerWaalsContact CA-O 3.28Å; A330-R343 WeakPolarHBondContact CA-O 3.28Å; A330-F414 CarbonylContact O-C 3.59Å; A330-F414 VanDerWaalsContact O-CA 3.27Å; A330-F414 WeakPolarHBondContact O-CA 3.36Å; A330-R415 HydrophobicContact CB-CB 4.06Å; A330-R415 PolarHBondContact N-O 3.37Å; A330-R415 PolarHBondContact O-N 2.82Å
331E94.4Very high85.7Confident9 Ų967.2 Ų67.24%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-98.1138.5174.2-175.7-173.3-156.700110.3A333 W342 R343 V345 H412 F414E331-A333 PolarHBondContact O-N 3.15Å; E331-W342 WeakPolarHBondContact O-CA 3.44Å; E331-R343 HydrophobicContact CB-CG 4.27Å; E331-R343 PolarHBondContact N-O 2.97Å; E331-R343 PolarHBondContact O-N 3.3Å; E331-R343 IonicContact OE1-NH2 3.15Å; E331-R343 IonicContact OE2-CZ 2.95Å; E331-R343 VanDerWaalsContact OE2-CZ 3.25Å; E331-R343 IonicContact OE2-NE 3.9Å; E331-R343 PolarHBondContact OE2-NE 2.73Å; E331-R343 IonicContact OE2-NH2 2.66Å; E331-R343 PolarHBondContact OE2-NH2 2.98Å; E331-V345 HydrophobicContact CB-CB 4.15Å; E331-V345 HydrophobicContact CB-CG1 3.72Å; E331-H412 IonicContact OE1-CE1 3.99Å; E331-H412 IonicContact OE1-CG 3.17Å; E331-H412 IonicContact OE1-ND1 2.64Å; E331-H412 PolarHBondContact OE1-ND1 3.4Å; E331-F414 HydrophobicContact CB-CD1 4.08Å; E331-F414 HydrophobicContact CB-CE1 4.13Å; E331-F414 HydrophobicContact CG-CD1 4.23Å; E331-F414 HydrophobicContact CG-CE1 3.98Å
332Q91.4Very high86.6Confident42 Ų4263.8 Ų63.820%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-76.3106.9172.3-171.617476.700110.2Q340 W342 L413Q332-Q340 HydrophobicContact CG-CB 4.1Å; Q332-Q340 HydrophobicContact CG-CG 4.31Å; Q332-Q340 VanDerWaalsContact NE2-CD 3.28Å; Q332-W342 HydrophobicContact CB-CE3 3.97Å; Q332-W342 HydrophobicContact CB-CH2 4.01Å; Q332-W342 HydrophobicContact CB-CZ3 3.63Å; Q332-L413 HydrophobicContact CB-CB 4.04Å; Q332-L413 HydrophobicContact CB-CD2 4.24Å; Q332-L413 HydrophobicContact CB-CG 4.48Å; Q332-L413 PolarHBondContact N-O 3.02Å
333A85.1Confident86.8Confident15 Ų1565.7 Ų65.712%0.12434%0.338CS..EExtended strand (participates in β ladder)trans-86.1135.5170.100000110.5E331 Q341 R343E331-A333 PolarHBondContact O-N 3.15Å; A333-Q341 PolarHBondContact N-O 3.45Å; A333-Q341 PolarHBondContact O-N 3.02Å; A333-Q341 VanDerWaalsContact O-N 3.1Å; A333-R343 HydrophobicContact CB-CG 4.32Å
334K76.8Confident86.8Confident181 Ų18167.1 Ų67.179%0.78735%0.347SS*.EExtended strand (participates in β ladder)trans-86.6116167.9-69.1-179.3-178175.30108.4
335L74.9Confident86.9Confident79 Ų7962.8 Ų62.841%0.41433%0.329SS..PPolyproline II helixtrans-89159.3172.2-66167.1000110.4G337 G338 R339 Q341L335-G337 PolarHBondContact O-N 3.19Å; L335-G338 PolarHBondContact O-N 2.98Å; L335-G338 VanDerWaalsContact O-N 3.15Å; L335-R339 HydrophobicContact CB-CB 4.41Å; L335-R339 WeakPolarHBondContact CB-O 3.44Å; L335-R339 HydrophobicContact CD1-CB 4.5Å; L335-R339 PolarHBondContact N-O 3.35Å; L335-Q341 HydrophobicContact CD1-CB 3.8Å; L335-Q341 HydrophobicContact CG-CB 4.45Å
336D71.8Confident86.9Confident168 Ų16861.4 Ų61.490%0.89832%0.323SS*.THydrogen-bonded Turntrans-55.4134.3170.4-65.7-37000110.3
337G69.3Low87Confident80 Ų8061.4 Ų61.483%0.82532%0.323SS*.THydrogen-bonded Turntrans86.113.1-174.300000115.1L335 R339L335-G337 PolarHBondContact O-N 3.19Å; G337-R339 VanDerWaalsContact C-N 3.26Å; G337-R339 PolarHBondContact O-N 2.89Å
338G70.6Confident87Confident68 Ų6861.1 Ų61.170%0.70132%0.32SS*.SBendtrans77.86.3169.600000115L335L335-G338 PolarHBondContact O-N 2.98Å; L335-G338 VanDerWaalsContact O-N 3.15Å
339R73Confident86.9Confident194 Ų19460.3 Ų60.373%0.73232%0.317SS*.  trans-72135.8173.6-67.2-176.6178.6-173.90109.7L335 G337L335-R339 HydrophobicContact CB-CB 4.41Å; L335-R339 WeakPolarHBondContact CB-O 3.44Å; L335-R339 HydrophobicContact CD1-CB 4.5Å; L335-R339 PolarHBondContact N-O 3.35Å; G337-R339 VanDerWaalsContact C-N 3.26Å; G337-R339 PolarHBondContact O-N 2.89Å
340Q78.8Confident86.9Confident126 Ų12660.2 Ų60.259%0.58932%0.317SS*.EExtended strand (participates in β ladder)trans-99.3131.6175.4-66.4179-13.500108.7Q332Q332-Q340 HydrophobicContact CG-CB 4.1Å; Q332-Q340 HydrophobicContact CG-CG 4.31Å; Q332-Q340 VanDerWaalsContact NE2-CD 3.28Å
341Q85.4Confident86.8Confident104 Ų10462.4 Ų62.449%0.48633%0.327SS..EExtended strand (participates in β ladder)trans-132138174.2-173.5174.225.500109.9A333 L335A333-Q341 PolarHBondContact N-O 3.45Å; A333-Q341 PolarHBondContact O-N 3.02Å; A333-Q341 VanDerWaalsContact O-N 3.1Å; L335-Q341 HydrophobicContact CD1-CB 3.8Å; L335-Q341 HydrophobicContact CG-CB 4.45Å
342W90.1Very high86.7Confident42 Ų4265.9 Ų65.916%0.15934%0.342CS..EExtended strand (participates in β ladder)trans-80.3128.7171-66.7115.1000109.7L254 A330 E331 Q332 D396 T398 L413 R415L254-W342 HydrophobicContact CD1-CB 3.49Å; L254-W342 VanDerWaalsContact CD1-CB 3.49Å; L254-W342 HydrophobicContact CD1-CG 4.49Å; A330-W342 HydrophobicContact CB-CB 4.25Å; A330-W342 HydrophobicContact CB-CE3 4.06Å; E331-W342 WeakPolarHBondContact O-CA 3.44Å; Q332-W342 HydrophobicContact CB-CE3 3.97Å; Q332-W342 HydrophobicContact CB-CH2 4.01Å; Q332-W342 HydrophobicContact CB-CZ3 3.63Å; W342-D396 PolarHBondContact NE1-OD2 3.48Å; W342-T398 HydrophobicContact CH2-CG2 3.85Å; W342-T398 HydrophobicContact CZ2-CG2 4.17Å; W342-L413 HydrophobicContact CH2-CD2 3.81Å; W342-L413 HydrophobicContact CH2-CG 3.96Å; W342-L413 HydrophobicContact CZ2-CD2 4.5Å; W342-L413 HydrophobicContact CZ3-CG 4.48Å; W342-R415 HydrophobicContact CD2-CB 4.14Å; W342-R415 HydrophobicContact CE3-CB 3.74Å; W342-R415 HydrophobicContact CH2-CB 3.59Å; W342-R415 HydrophobicContact CZ2-CB 3.97Å; W342-R415 HydrophobicContact CZ3-CB 3.45Å; W342-R415 VanDerWaalsContact CZ3-CB 3.45Å
343R91.2Very high86.9Confident113 Ų11365.2 Ų65.243%0.42634%0.34SS..EExtended strand (participates in β ladder)trans-12114417366.4176.1178.4-152.11.6110.7A330 E331 A333 V345A330-R343 CarbonylContact C-O 3.42Å; A330-R343 VanDerWaalsContact CA-O 3.28Å; A330-R343 WeakPolarHBondContact CA-O 3.28Å; E331-R343 HydrophobicContact CB-CG 4.27Å; E331-R343 PolarHBondContact N-O 2.97Å; E331-R343 PolarHBondContact O-N 3.3Å; E331-R343 IonicContact OE1-NH2 3.15Å; E331-R343 IonicContact OE2-CZ 2.95Å; E331-R343 VanDerWaalsContact OE2-CZ 3.25Å; E331-R343 IonicContact OE2-NE 3.9Å; E331-R343 PolarHBondContact OE2-NE 2.73Å; E331-R343 IonicContact OE2-NH2 2.66Å; E331-R343 PolarHBondContact OE2-NH2 2.98Å; A333-R343 HydrophobicContact CB-CG 4.32Å; R343-V345 PolarHBondContact O-N 3.43Å
344P94.4Very high87.4Confident32 Ų3264.5 Ų64.521%0.20833%0.334CS..EExtended strand (participates in β ladder)trans-57.3136.1168.9-19.729.6000111.1F249 L254 W328 L329F249-P344 HydrophobicContact CD1-CB 4.06Å; F249-P344 HydrophobicContact CD1-CG 4.38Å; F249-P344 HydrophobicContact CE1-CB 4.21Å; F249-P344 HydrophobicContact CE1-CG 4.45Å; L254-P344 HydrophobicContact CD2-CG 3.85Å; W328-P344 HydrophobicContact CE3-CB 4.14Å; W328-P344 HydrophobicContact CZ3-CB 4.03Å; L329-P344 CarbonylContact O-C 3.6Å; L329-P344 WeakPolarHBondContact O-CA 3.27Å
345V96.7Very high88.3Confident8 Ų856.1 Ų56.15%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-139.3139168.970.80000108.8W328 L329 E331 R343 L356 Y357 F414W328-V345 VanDerWaalsContact CE3-C 3.43Å; L329-V345 HydrophobicContact CB-CG1 4.04Å; L329-V345 PolarHBondContact N-O 3Å; L329-V345 PolarHBondContact O-N 3.19Å; E331-V345 HydrophobicContact CB-CB 4.15Å; E331-V345 HydrophobicContact CB-CG1 3.72Å; R343-V345 PolarHBondContact O-N 3.43Å; V345-L356 HydrophobicContact CG2-CB 4.05Å; V345-L356 HydrophobicContact CG2-CD2 4.14Å; V345-L356 HydrophobicContact CG2-CG 4.49Å; V345-Y357 WeakPolarHBondContact CG2-O 3.12Å; V345-F414 HydrophobicContact CG1-CD1 4.09Å; V345-F414 HydrophobicContact CG1-CE1 4.04Å
346L97.9Very high89.3Confident0 Ų052.4 Ų52.40%028%0.279CS..EExtended strand (participates in β ladder)trans-93.8117.8171.5-175.175.3000108.4M247 I326 W328 L356 Y357 M360M247-L346 HydrophobicContact CE-CD1 3.67Å; I326-L346 HydrophobicContact CD1-CD1 4.33Å; I326-L346 HydrophobicContact CD1-CD2 3.83Å; I326-L346 HydrophobicContact CD1-CG 4.17Å; I326-L346 HydrophobicContact CG1-CD1 3.95Å; I326-L346 HydrophobicContact CG1-CD2 4.25Å; I326-L346 HydrophobicContact CG1-CG 4.02Å; W328-L346 HydrophobicContact CD2-CB 4.1Å; W328-L346 HydrophobicContact CD2-CD1 3.8Å; W328-L346 HydrophobicContact CE3-CB 3.92Å; W328-L346 HydrophobicContact CE3-CD1 4.45Å; W328-L346 HydrophobicContact CG-CD1 3.89Å; W328-L346 HydrophobicContact CH2-CB 3.98Å; W328-L346 HydrophobicContact CZ2-CB 4.14Å; W328-L346 HydrophobicContact CZ2-CD1 4.31Å; W328-L346 HydrophobicContact CZ3-CB 3.87Å; L346-L356 CarbonylContact O-C 3.26Å; L346-L356 WeakPolarHBondContact O-CA 3.28Å; L346-Y357 PolarHBondContact N-O 3.28Å; L346-Y357 PolarHBondContact O-N 3.15Å; L346-M360 HydrophobicContact CD2-CB 4.45Å; L346-M360 HydrophobicContact CD2-SD 3.73Å
347M97.9Very high90.5Very high0 Ų044.8 Ų44.80%024%0.237CC..EExtended strand (participates in β ladder)trans-102132.7175.7-178-175.6-66.100109.6I326 A327 L329 L354 L355 L356 F399 F414 W425 L429I326-M347 VanDerWaalsContact CA-O 3.32Å; I326-M347 WeakPolarHBondContact CA-O 3.29Å; A327-M347 PolarHBondContact N-O 3.31Å; A327-M347 PolarHBondContact O-N 3.28Å; L329-M347 HydrophobicContact CD1-CB 3.84Å; L329-M347 HydrophobicContact CD1-CE 3.72Å; L329-M347 HydrophobicContact CD1-SD 3.98Å; M347-L354 HydrophobicContact CE-CD1 4.31Å; M347-L354 HydrophobicContact CE-CD2 4.3Å; M347-L354 HydrophobicContact CG-CD2 4.1Å; M347-L354 HydrophobicContact CG-CG 4.15Å; M347-L354 HydrophobicContact SD-CD1 3.99Å; M347-L354 HydrophobicContact SD-CD2 4.35Å; M347-L354 HydrophobicContact SD-CG 4.16Å; M347-L355 WeakPolarHBondContact CA-O 3.42Å; M347-L356 HydrophobicContact CB-CD2 3.91Å; M347-L356 HydrophobicContact CE-CD2 3.96Å; M347-L356 HydrophobicContact CG-CD2 3.91Å; M347-F399 HydrophobicContact CE-CE2 4.25Å; M347-F399 HydrophobicContact CE-CZ 4.1Å; M347-F399 HydrophobicContact SD-CZ 4.43Å; M347-F414 HydrophobicContact CE-CD1 3.88Å; M347-F414 HydrophobicContact CE-CD2 3.72Å; M347-F414 HydrophobicContact CE-CE1 3.55Å; M347-F414 HydrophobicContact CE-CE2 3.32Å; M347-F414 HydrophobicContact CE-CG 3.95Å; M347-F414 HydrophobicContact CE-CZ 3.24Å; M347-W425 HydrophobicContact CB-CH2 3.65Å; M347-W425 HydrophobicContact CB-CZ2 4.31Å; M347-W425 HydrophobicContact CB-CZ3 4.24Å; M347-W425 HydrophobicContact CG-CH2 3.71Å; M347-W425 HydrophobicContact CG-CZ3 3.79Å; M347-W425 HydrophobicContact SD-CE3 3.86Å; M347-W425 HydrophobicContact SD-CH2 3.74Å; M347-W425 HydrophobicContact SD-CZ3 3.3Å; M347-W425 WeakPolarHBondContact SD-CZ3 3.27Å; M347-L429 HydrophobicContact SD-CD2 4.46Å
348A97.6Very high91.7Very high0 Ų045.8 Ų45.80%022%0.224CC..EExtended strand (participates in β ladder)trans-121.4135.1170.800000110.6V323 H325 I326 L355 Y357 W367V323-A348 HydrophobicContact CG1-CB 4.49Å; H325-A348 CarbonylContact O-C 3.54Å; H325-A348 WeakPolarHBondContact O-CA 3.09Å; I326-A348 HydrophobicContact CB-CB 4.27Å; I326-A348 HydrophobicContact CD1-CB 4.27Å; I326-A348 HydrophobicContact CG1-CB 3.98Å; A348-L355 HydrophobicContact CB-CB 4.34Å; A348-L355 PolarHBondContact N-O 2.95Å; A348-L355 PolarHBondContact O-N 3.13Å; A348-Y357 HydrophobicContact CB-CE2 4.31Å; A348-W367 HydrophobicContact CB-CH2 3.51Å; A348-W367 HydrophobicContact CB-CZ2 3.88Å
349V97.1Very high92.8Very high2 Ų244.8 Ų44.81%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-112120.2175.4177.80000107.8K324 H325 L376 W425 I428 L429K324-V349 PolarHBondContact N-O 3.27Å; H325-V349 HydrophobicContact CB-CB 4.46Å; H325-V349 PolarHBondContact N-O 3.42Å; H325-V349 VanDerWaalsContact N-O 3.15Å; H325-V349 PolarHBondContact O-N 3.3Å; V349-L376 HydrophobicContact CG1-CD1 3.95Å; V349-L376 HydrophobicContact CG1-CD2 4.23Å; V349-W425 HydrophobicContact CG2-CZ3 3.93Å; V349-I428 HydrophobicContact CB-CG2 4.21Å; V349-I428 HydrophobicContact CG1-CG2 4.21Å; V349-I428 HydrophobicContact CG2-CG2 4.2Å; V349-L429 HydrophobicContact CG2-CD2 4.02Å
350T95.4Very high93.8Very high2 Ų235.9 Ų35.91%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-100.7-170.8175.968.30000110.4E322 V323 K352 D353 L355 L376E322-T350 CarbonylContact O-C 3.51Å; E322-T350 WeakPolarHBondContact O-CA 3.47Å; V323-T350 HydrophobicContact CG2-CG2 4.49Å; T350-K352 PolarHBondContact O-N 2.94Å; T350-K352 PolarHBondContact OG1-N 2.71Å; T350-D353 PolarHBondContact N-O 3.13Å; T350-D353 WeakPolarHBondContact OG1-CA 3.35Å; T350-D353 PolarHBondContact OG1-N 2.9Å; T350-D353 PolarHBondContact OG1-O 2.94Å; T350-L355 HydrophobicContact CG2-CD1 3.9Å; T350-L355 HydrophobicContact CG2-CG 4.43Å; T350-L376 VanDerWaalsContact O-CD1 3.28Å; T350-L376 WeakPolarHBondContact O-CD1 3.36Å
351E92.6Very high94.4Very high46 Ų4630 Ų3022%0.21515%0.145CC..SBendtrans-63.9-25.4172.5-60.7-175.1100.100113.7S320 E322 A436 L439S320-E351 VanDerWaalsContact O-OE2 3.11Å; S320-E351 PolarHBondContact OG-OE2 2.92Å; S320-E351 VanDerWaalsContact OG-OE2 3.08Å; E322-E351 HydrophobicContact CB-CG 3.88Å; E322-E351 PolarHBondContact N-OE2 2.88Å; E322-E351 PolarHBondContact O-N 2.9Å; E351-A436 WeakPolarHBondContact O-CB 3.44Å; E351-L439 HydrophobicContact CB-CD2 3.84Å
352K92.6Very high94.5Very high81 Ų8130.1 Ų30.135%0.35214%0.141SC..SBendtrans-129.6-27.8-171.8-63.2-177.2-175.6177.50114.3T350 L376 L439T350-K352 PolarHBondContact O-N 2.94Å; T350-K352 PolarHBondContact OG1-N 2.71Å; K352-L376 WeakPolarHBondContact O-CB 3.42Å; K352-L376 PolarHBondContact O-N 2.69Å; K352-L439 HydrophobicContact CD-CD2 4.35Å; K352-L439 VanDerWaalsContact CE-CD2 3.46Å; K352-L439 HydrophobicContact CG-CD2 3.89Å
353D94.7Very high94.5Very high28 Ų2831.9 Ų31.915%0.1516%0.156CC..EExtended strand (participates in β ladder)trans-128.4144.4-168.4-55.3-52.7000112.2T350 L355 Y374T350-D353 PolarHBondContact N-O 3.13Å; T350-D353 WeakPolarHBondContact OG1-CA 3.35Å; T350-D353 PolarHBondContact OG1-N 2.9Å; T350-D353 PolarHBondContact OG1-O 2.94Å; D353-L355 HydrophobicContact CB-CD2 3.75Å; D353-L355 HydrophobicContact CB-CG 4.33Å; D353-Y374 CarbonylContact C-O 3.57Å; D353-Y374 WeakPolarHBondContact CA-O 3.33Å
354L96.1Very high94.3Very high1 Ų130.8 Ų30.81%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-94.3121.8160.6-174.6162.2000107.9M347 L356 Y374 L376 T379 L429M347-L354 HydrophobicContact CE-CD1 4.31Å; M347-L354 HydrophobicContact CE-CD2 4.3Å; M347-L354 HydrophobicContact CG-CD2 4.1Å; M347-L354 HydrophobicContact CG-CG 4.15Å; M347-L354 HydrophobicContact SD-CD1 3.99Å; M347-L354 HydrophobicContact SD-CD2 4.35Å; M347-L354 HydrophobicContact SD-CG 4.16Å; L354-L356 HydrophobicContact CD2-CD2 3.73Å; L354-L356 HydrophobicContact CD2-CG 3.99Å; L354-Y374 HydrophobicContact CD2-CD2 4.07Å; L354-Y374 PolarHBondContact N-O 3.4Å; L354-Y374 PolarHBondContact O-N 3.29Å; L354-L376 HydrophobicContact CB-CD2 3.99Å; L354-T379 HydrophobicContact CD1-CG2 4.39Å; L354-L429 HydrophobicContact CD1-CD2 3.6Å
355L96.4Very high94Very high4 Ų435.3 Ų35.32%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-115.5139.6-176.7-50.5178.1000109.9M347 A348 T350 D353 Y357 W367 P370 H372 S373M347-L355 WeakPolarHBondContact CA-O 3.42Å; A348-L355 HydrophobicContact CB-CB 4.34Å; A348-L355 PolarHBondContact N-O 2.95Å; A348-L355 PolarHBondContact O-N 3.13Å; T350-L355 HydrophobicContact CG2-CD1 3.9Å; T350-L355 HydrophobicContact CG2-CG 4.43Å; D353-L355 HydrophobicContact CB-CD2 3.75Å; D353-L355 HydrophobicContact CB-CG 4.33Å; L355-Y357 HydrophobicContact CB-CE2 3.71Å; L355-Y357 HydrophobicContact CD1-CE2 4.37Å; L355-W367 HydrophobicContact CD1-CZ2 4.21Å; L355-P370 HydrophobicContact CB-CB 4.23Å; L355-P370 HydrophobicContact CD2-CB 4.47Å; L355-P370 HydrophobicContact CD2-CG 4.22Å; L355-H372 WeakPolarHBondContact CA-O 3.41Å; L355-S373 VanDerWaalsContact CD2-OG 3.26Å; L355-S373 WeakPolarHBondContact CD2-OG 3.34Å
356L96.1Very high93.7Very high2 Ų236.8 Ų36.81%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-117.2134.9175-58.1-178.1000110.6V345 L346 M347 L354 C371 H372 Y374 F414V345-L356 HydrophobicContact CG2-CB 4.05Å; V345-L356 HydrophobicContact CG2-CD2 4.14Å; V345-L356 HydrophobicContact CG2-CG 4.49Å; L346-L356 CarbonylContact O-C 3.26Å; L346-L356 WeakPolarHBondContact O-CA 3.28Å; M347-L356 HydrophobicContact CB-CD2 3.91Å; M347-L356 HydrophobicContact CE-CD2 3.96Å; M347-L356 HydrophobicContact CG-CD2 3.91Å; L354-L356 HydrophobicContact CD2-CD2 3.73Å; L354-L356 HydrophobicContact CD2-CG 3.99Å; L356-C371 WeakPolarHBondContact O-CB 3.32Å; L356-C371 PolarHBondContact O-N 3.23Å; L356-H372 HydrophobicContact CB-CB 4.19Å; L356-H372 HydrophobicContact CD1-CB 4.23Å; L356-H372 HydrophobicContact CG-CB 4.4Å; L356-H372 PolarHBondContact N-O 3.4Å; L356-H372 PolarHBondContact O-N 3.41Å; L356-Y374 HydrophobicContact CD1-CE2 4.07Å; L356-F414 HydrophobicContact CD1-CZ 4.35Å; L356-F414 HydrophobicContact CD2-CE1 4.29Å; L356-F414 HydrophobicContact CD2-CZ 4.27Å
357Y96.5Very high93.4Very high7 Ų737.4 Ų37.43%0.02719%0.19CC..EExtended strand (participates in β ladder)trans-129.8153.7176-56.6-96000111.1V345 L346 A348 L355 C359 P361 W367 P370V345-Y357 WeakPolarHBondContact CG2-O 3.12Å; L346-Y357 PolarHBondContact N-O 3.28Å; L346-Y357 PolarHBondContact O-N 3.15Å; A348-Y357 HydrophobicContact CB-CE2 4.31Å; L355-Y357 HydrophobicContact CB-CE2 3.71Å; L355-Y357 HydrophobicContact CD1-CE2 4.37Å; Y357-C359 WeakPolarHBondContact CB-O 3.32Å; Y357-P361 HydrophobicContact CD1-CB 4.16Å; Y357-P361 HydrophobicContact CD1-CG 3.98Å; Y357-P361 HydrophobicContact CD2-CG 4.35Å; Y357-P361 HydrophobicContact CE1-CB 4.08Å; Y357-P361 HydrophobicContact CE1-CG 3.96Å; Y357-P361 HydrophobicContact CE2-CG 4.33Å; Y357-P361 HydrophobicContact CG-CG 4.18Å; Y357-W367 HydrophobicContact CE2-CE3 4.48Å; Y357-W367 HydrophobicContact CE2-CH2 4.1Å; Y357-W367 HydrophobicContact CE2-CZ2 4.44Å; Y357-W367 HydrophobicContact CE2-CZ3 4.14Å; Y357-W367 PolarHBondContact OH-O 2.99Å; Y357-P370 HydrophobicContact CD1-CB 4.29Å; Y357-P370 VanDerWaalsContact CE1-CA 3.44Å; Y357-P370 HydrophobicContact CE1-CB 3.73Å; Y357-P370 HydrophobicContact CE2-CB 4.29Å
358D94.2Very high93Very high101 Ų10141.1 Ų41.154%0.5422%0.221SC..SBendtrans-87.6-2117561-9.7000113.3S271 W328S271-D358 WeakPolarHBondContact CB-O 3.46Å; W328-D358 WeakPolarHBondContact CH2-O 3.33Å
359C93.9Very high92.8Very high47 Ų4745.3 Ų45.332%0.31825%0.25SS..SBendtrans-144.6167.3179.963.30000110.4Y357 P361Y357-C359 WeakPolarHBondContact CB-O 3.32Å; C359-P361 WeakPolarHBondContact O-CD 3.36Å
360M94.5Very high92.7Very high7 Ų746.9 Ų46.93%0.03426%0.261CS..  trans-70.8114.5175.6-177.660.6-169.800111.5M247 P269 V303 L307 I326 L346 W362M247-M360 HydrophobicContact CB-CG 4.31Å; M247-M360 HydrophobicContact CB-SD 4.37Å; M247-M360 HydrophobicContact CE-SD 3.81Å; M247-M360 HydrophobicContact CG-CE 4.15Å; M247-M360 HydrophobicContact CG-CG 4.41Å; M247-M360 HydrophobicContact CG-SD 4.02Å; P269-M360 HydrophobicContact CB-CB 3.96Å; P269-M360 WeakPolarHBondContact O-CB 3.13Å; P269-M360 PolarHBondContact O-N 3.07Å; V303-M360 HydrophobicContact CG1-CE 4.2Å; L307-M360 HydrophobicContact CD1-CE 4.03Å; L307-M360 HydrophobicContact CD2-CE 3.83Å; L307-M360 HydrophobicContact CG-CE 4.3Å; I326-M360 HydrophobicContact CD1-CE 4.32Å; I326-M360 HydrophobicContact CD1-SD 4.01Å; L346-M360 HydrophobicContact CD2-CB 4.45Å; L346-M360 HydrophobicContact CD2-SD 3.73Å; M360-W362 HydrophobicContact CB-CZ2 4.04Å; M360-W362 HydrophobicContact CE-CD2 4.48Å; M360-W362 HydrophobicContact CE-CE3 3.99Å; M360-W362 HydrophobicContact CE-CH2 4.23Å; M360-W362 HydrophobicContact CE-CZ3 3.84Å; M360-W362 HydrophobicContact CG-CD2 3.67Å; M360-W362 HydrophobicContact CG-CE3 4.05Å; M360-W362 HydrophobicContact CG-CG 4.29Å; M360-W362 HydrophobicContact CG-CH2 3.8Å; M360-W362 HydrophobicContact CG-CZ2 3.39Å; M360-W362 HydrophobicContact CG-CZ3 4.1Å; M360-W362 VanDerWaalsContact O-CD1 3.23Å; M360-W362 PolarHBondContact O-N 3.11Å
361P91.9Very high92.6Very high3 Ų349.9 Ų49.92%0.01928%0.281CS..  trans-77.985.3178.732.8-39.8000112.1Y357 C359 T363 A366 W367Y357-P361 HydrophobicContact CD1-CB 4.16Å; Y357-P361 HydrophobicContact CD1-CG 3.98Å; Y357-P361 HydrophobicContact CD2-CG 4.35Å; Y357-P361 HydrophobicContact CE1-CB 4.08Å; Y357-P361 HydrophobicContact CE1-CG 3.96Å; Y357-P361 HydrophobicContact CE2-CG 4.33Å; Y357-P361 HydrophobicContact CG-CG 4.18Å; C359-P361 WeakPolarHBondContact O-CD 3.36Å; P361-T363 VanDerWaalsContact C-N 3.25Å; P361-T363 PolarHBondContact O-N 3.32Å; P361-A366 HydrophobicContact CB-CB 3.7Å; P361-W367 HydrophobicContact CB-CE3 3.85Å; P361-W367 HydrophobicContact CB-CZ3 4.42Å; P361-W367 HydrophobicContact CG-CD2 4.28Å; P361-W367 HydrophobicContact CG-CE3 3.11Å; P361-W367 HydrophobicContact CG-CZ3 3.25Å
362W87.4Confident92.6Very high106 Ų10651.3 Ų51.340%0.40229%0.287SS..  trans-71.7-15.3-179.6-61109.8000114.8K246 M247 P269 M360K246-W362 HydrophobicContact CD-CH2 4.36Å; K246-W362 HydrophobicContact CG-CH2 4.33Å; M247-W362 HydrophobicContact CB-CH2 4.12Å; M247-W362 HydrophobicContact CB-CZ2 4.33Å; M247-W362 HydrophobicContact CG-CH2 4Å; P269-W362 HydrophobicContact CB-CZ2 3.86Å; P269-W362 HydrophobicContact CG-CZ2 4.33Å; M360-W362 HydrophobicContact CB-CZ2 4.04Å; M360-W362 HydrophobicContact CE-CD2 4.48Å; M360-W362 HydrophobicContact CE-CE3 3.99Å; M360-W362 HydrophobicContact CE-CH2 4.23Å; M360-W362 HydrophobicContact CE-CZ3 3.84Å; M360-W362 HydrophobicContact CG-CD2 3.67Å; M360-W362 HydrophobicContact CG-CE3 4.05Å; M360-W362 HydrophobicContact CG-CG 4.29Å; M360-W362 HydrophobicContact CG-CH2 3.8Å; M360-W362 HydrophobicContact CG-CZ2 3.39Å; M360-W362 HydrophobicContact CG-CZ3 4.1Å; M360-W362 VanDerWaalsContact O-CD1 3.23Å; M360-W362 PolarHBondContact O-N 3.11Å
363T89.1Confident92.6Very high79 Ų7950.3 Ų50.349%0.48529%0.291SS..SBendtrans-113.7159.3-178.570.20000111.2P361 D365 A366 W367P361-T363 VanDerWaalsContact C-N 3.25Å; P361-T363 PolarHBondContact O-N 3.32Å; T363-D365 VanDerWaalsContact C-N 3.34Å; T363-D365 PolarHBondContact O-N 2.8Å; T363-A366 PolarHBondContact O-N 2.85Å; T363-A366 WeakPolarHBondContact OG1-CB 3.26Å; T363-A366 PolarHBondContact OG1-N 3.37Å; T363-W367 PolarHBondContact O-N 3.13Å
364R87.7Confident92.6Very high90 Ų9049.2 Ų49.234%0.3429%0.285SS..Hα-helixtrans-62.1-41.4177.7-65.3-174.967.91573.9112.7M310 T314 A366 W367 A368M310-R364 HydrophobicContact CG-CG 3.91Å; M310-R364 HydrophobicContact SD-CB 4.33Å; M310-R364 HydrophobicContact SD-CG 3.32Å; M310-R364 WeakPolarHBondContact SD-CG 3.5Å; T314-R364 PolarHBondContact OG1-NH1 2.79Å; T314-R364 PolarHBondContact OG1-NH2 2.83Å; R364-A366 VanDerWaalsContact C-N 3.35Å; R364-W367 WeakPolarHBondContact O-CB 3.37Å; R364-W367 PolarHBondContact O-N 2.54Å; R364-A368 PolarHBondContact O-N 2.86Å
365D88.2Confident92.5Very high128 Ų12851.7 Ų51.768%0.68430%0.3SS*.Hα-helixtrans-67.2-38.2-180-60-24.7000111.4T363 A368 S369T363-D365 VanDerWaalsContact C-N 3.34Å; T363-D365 PolarHBondContact O-N 2.8Å; D365-A368 PolarHBondContact O-N 2.93Å; D365-S369 PolarHBondContact O-N 3.33Å; D365-S369 PolarHBondContact O-OG 3.31Å; D365-S369 VanDerWaalsContact O-OG 3.06Å
366A90.1Very high92.5Very high38 Ų3851.5 Ų51.531%0.31430%0.299SS..Hα-helixtrans-63.7-41.8172.500000111.1P361 T363 R364 A368 S369P361-A366 HydrophobicContact CB-CB 3.7Å; T363-A366 PolarHBondContact O-N 2.85Å; T363-A366 WeakPolarHBondContact OG1-CB 3.26Å; T363-A366 PolarHBondContact OG1-N 3.37Å; R364-A366 VanDerWaalsContact C-N 3.35Å; A366-A368 VanDerWaalsContact C-N 3.28Å; A366-A368 PolarHBondContact O-N 3.19Å; A366-S369 CarbonylContact O-C 3.49Å; A366-S369 PolarHBondContact O-N 2.78Å; A366-S369 VanDerWaalsContact O-N 3.09Å
367W91.6Very high92.4Very high13 Ų1351.8 Ų51.85%0.04930%0.301CS..Hα-helixtrans-65.3-29.7175.9-161.7-95.1000113.4L311 V323 I326 A348 L355 Y357 P361 T363 R364 S369L311-W367 HydrophobicContact CD1-CD2 4.21Å; L311-W367 HydrophobicContact CD1-CG 4.16Å; L311-W367 HydrophobicContact CD2-CB 4.03Å; L311-W367 VanDerWaalsContact CD2-CD1 3.45Å; L311-W367 HydrophobicContact CD2-CG 3.71Å; V323-W367 HydrophobicContact CB-CZ2 4.5Å; V323-W367 HydrophobicContact CG1-CH2 4.31Å; V323-W367 HydrophobicContact CG1-CZ2 4.24Å; V323-W367 HydrophobicContact CG2-CH2 4.1Å; V323-W367 HydrophobicContact CG2-CZ2 3.41Å; V323-W367 VanDerWaalsContact CG2-CZ2 3.41Å; I326-W367 HydrophobicContact CD1-CH2 3.73Å; I326-W367 HydrophobicContact CD1-CZ3 3.76Å; A348-W367 HydrophobicContact CB-CH2 3.51Å; A348-W367 HydrophobicContact CB-CZ2 3.88Å; L355-W367 HydrophobicContact CD1-CZ2 4.21Å; Y357-W367 HydrophobicContact CE2-CE3 4.48Å; Y357-W367 HydrophobicContact CE2-CH2 4.1Å; Y357-W367 HydrophobicContact CE2-CZ2 4.44Å; Y357-W367 HydrophobicContact CE2-CZ3 4.14Å; Y357-W367 PolarHBondContact OH-O 2.99Å; P361-W367 HydrophobicContact CB-CE3 3.85Å; P361-W367 HydrophobicContact CB-CZ3 4.42Å; P361-W367 HydrophobicContact CG-CD2 4.28Å; P361-W367 HydrophobicContact CG-CE3 3.11Å; P361-W367 HydrophobicContact CG-CZ3 3.25Å; T363-W367 PolarHBondContact O-N 3.13Å; R364-W367 WeakPolarHBondContact O-CB 3.37Å; R364-W367 PolarHBondContact O-N 2.54Å; W367-S369 PolarHBondContact O-N 3.3Å
368A90.3Very high92.3Very high78 Ų7851.7 Ų51.765%0.64530%0.302SS*.THydrogen-bonded Turntrans-72.9-11.1175.500000113.1R364 D365 A366 P370R364-A368 PolarHBondContact O-N 2.86Å; D365-A368 PolarHBondContact O-N 2.93Å; A366-A368 VanDerWaalsContact C-N 3.28Å; A366-A368 PolarHBondContact O-N 3.19Å; A368-P370 WeakPolarHBondContact O-CD 3.49Å
369S92.1Very high92.3Very high88 Ų8847.1 Ų47.162%0.61528%0.278SS*.  trans-124.759.3-170.8-50.70000112.5D365 A366 W367D365-S369 PolarHBondContact O-N 3.33Å; D365-S369 PolarHBondContact O-OG 3.31Å; D365-S369 VanDerWaalsContact O-OG 3.06Å; A366-S369 CarbonylContact O-C 3.49Å; A366-S369 PolarHBondContact O-N 2.78Å; A366-S369 VanDerWaalsContact O-N 3.09Å; W367-S369 PolarHBondContact O-N 3.3Å
370P94.8Very high92.3Very high36 Ų3649 Ų4923%0.23428%0.278CS..  trans-63.8150.7174.630.5-36.4000111.3L355 Y357 A368 H372L355-P370 HydrophobicContact CB-CB 4.23Å; L355-P370 HydrophobicContact CD2-CB 4.47Å; L355-P370 HydrophobicContact CD2-CG 4.22Å; Y357-P370 HydrophobicContact CD1-CB 4.29Å; Y357-P370 VanDerWaalsContact CE1-CA 3.44Å; Y357-P370 HydrophobicContact CE1-CB 3.73Å; Y357-P370 HydrophobicContact CE2-CB 4.29Å; A368-P370 WeakPolarHBondContact O-CD 3.49Å; P370-H372 VanDerWaalsContact C-N 3.27Å; P370-H372 PolarHBondContact O-N 3.4Å
371C93.4Very high92.1Very high65 Ų6550.8 Ų50.844%0.43929%0.288SS..SBendtrans-61.6-41.3172.4-55.40000110.7L356L356-C371 WeakPolarHBondContact O-CB 3.32Å; L356-C371 PolarHBondContact O-N 3.23Å
372H92.7Very high91.9Very high75 Ų7554.1 Ų54.135%0.34731%0.308SS..EExtended strand (participates in β ladder)trans-141.7145.7176.7-54.478000110.6L355 L356 P370 Y374L355-H372 WeakPolarHBondContact CA-O 3.41Å; L356-H372 HydrophobicContact CB-CB 4.19Å; L356-H372 HydrophobicContact CD1-CB 4.23Å; L356-H372 HydrophobicContact CG-CB 4.4Å; L356-H372 PolarHBondContact N-O 3.4Å; L356-H372 PolarHBondContact O-N 3.41Å; P370-H372 VanDerWaalsContact C-N 3.27Å; P370-H372 PolarHBondContact O-N 3.4Å; H372-Y374 HydrophobicContact CB-CD2 4.35Å; H372-Y374 HydrophobicContact CB-CE2 3.48Å; H372-Y374 VanDerWaalsContact CB-CE2 3.48Å; H372-Y374 PolarHBondContact CD2-OH 2.81Å
373S94Very high91.8Very high61 Ų6152.8 Ų52.843%0.42731%0.306SS..EExtended strand (participates in β ladder)trans-136.5118.8178.7-1800000109.8L355L355-S373 VanDerWaalsContact CD2-OG 3.26Å; L355-S373 WeakPolarHBondContact CD2-OG 3.34Å
374Y94.2Very high91.6Very high5 Ų551.5 Ų51.52%0.0230%0.3CS..EExtended strand (participates in β ladder)trans-121.9127.8-177-57.1-72.7000111.1D353 L354 L356 H372 L376 T403 E410 H412D353-Y374 CarbonylContact C-O 3.57Å; D353-Y374 WeakPolarHBondContact CA-O 3.33Å; L354-Y374 HydrophobicContact CD2-CD2 4.07Å; L354-Y374 PolarHBondContact N-O 3.4Å; L354-Y374 PolarHBondContact O-N 3.29Å; L356-Y374 HydrophobicContact CD1-CE2 4.07Å; H372-Y374 HydrophobicContact CB-CD2 4.35Å; H372-Y374 HydrophobicContact CB-CE2 3.48Å; H372-Y374 VanDerWaalsContact CB-CE2 3.48Å; H372-Y374 PolarHBondContact CD2-OH 2.81Å; Y374-L376 PolarHBondContact O-N 3.3Å; Y374-T403 VanDerWaalsContact CD1-CB 3.41Å; Y374-T403 HydrophobicContact CD1-CG2 3.97Å; Y374-T403 VanDerWaalsContact CD1-OG1 3.23Å; Y374-T403 WeakPolarHBondContact CD1-OG1 3.31Å; Y374-T403 HydrophobicContact CD2-CG2 4.05Å; Y374-T403 WeakPolarHBondContact CE1-OG1 3.35Å; Y374-T403 HydrophobicContact CG-CG2 3.62Å; Y374-E410 HydrophobicContact CE1-CB 4.35Å; Y374-E410 VanDerWaalsContact CE1-OE2 3.27Å; Y374-E410 WeakPolarHBondContact CE1-OE2 3.47Å; Y374-E410 VanDerWaalsContact CZ-OE2 3.3Å; Y374-E410 PolarHBondContact OH-OE2 2.76Å; Y374-H412 AromaticContact CE2-NE2 3.81Å; Y374-H412 AromaticContact CZ-CE1 4Å; Y374-H412 AromaticContact CZ-NE2 3.45Å; Y374-H412 PolarHBondContact OH-CE1 2.81Å; Y374-H412 VanDerWaalsContact OH-CE1 3.27Å; Y374-H412 PolarHBondContact OH-NE2 3.42Å
375P94Very high91.3Very high52 Ų5248.1 Ų48.134%0.33829%0.293SS..EExtended strand (participates in β ladder)trans-63.7126.9174.9-20.832.4000110.8V377 A378 T379P375-V377 HydrophobicContact CB-CG1 4.14Å; P375-V377 PolarHBondContact O-N 2.83Å; P375-A378 HydrophobicContact CB-CB 4.34Å; P375-A378 CarbonylContact O-C 3.59Å; P375-A378 PolarHBondContact O-N 3.23Å; P375-T379 PolarHBondContact O-N 2.91Å; P375-T379 PolarHBondContact O-OG1 2.92Å
376L95.6Very high90.6Very high0 Ų043.5 Ų43.50%027%0.271CS..G310 helixtrans-59.2-36.8178.4-73.4171.8000111.8V349 T350 K352 L354 Y374 A378 T379 C433 A436V349-L376 HydrophobicContact CG1-CD1 3.95Å; V349-L376 HydrophobicContact CG1-CD2 4.23Å; T350-L376 VanDerWaalsContact O-CD1 3.28Å; T350-L376 WeakPolarHBondContact O-CD1 3.36Å; K352-L376 WeakPolarHBondContact O-CB 3.42Å; K352-L376 PolarHBondContact O-N 2.69Å; L354-L376 HydrophobicContact CB-CD2 3.99Å; Y374-L376 PolarHBondContact O-N 3.3Å; L376-A378 PolarHBondContact O-N 3.21Å; L376-T379 WeakPolarHBondContact O-CB 3.42Å; L376-T379 PolarHBondContact O-N 3.42Å; L376-C433 PolarHBondContact O-SG 3.44Å; L376-A436 HydrophobicContact CB-CB 3.71Å; L376-A436 HydrophobicContact CD1-CB 4.31Å
377V94.6Very high89Confident8 Ų844.9 Ų44.95%0.04829%0.288CS..G310 helixtrans-60.8-28.8177.369.30000112.8P375 I440 V521 T524 F525P375-V377 HydrophobicContact CB-CG1 4.14Å; P375-V377 PolarHBondContact O-N 2.83Å; V377-I440 HydrophobicContact CB-CD1 3.84Å; V377-I440 HydrophobicContact CG1-CD1 3.7Å; V377-V521 HydrophobicContact CG1-CG2 4.16Å; V377-V521 HydrophobicContact CG2-CB 4.4Å; V377-V521 HydrophobicContact CG2-CG1 4.02Å; V377-V521 HydrophobicContact CG2-CG2 4.12Å; V377-V521 WeakPolarHBondContact O-CA 3.44Å; V377-T524 WeakPolarHBondContact O-CB 3.28Å; V377-T524 PolarHBondContact O-OG1 2.83Å; V377-F525 HydrophobicContact CG2-CD1 4Å; V377-F525 HydrophobicContact CG2-CE1 3.46Å; V377-F525 VanDerWaalsContact CG2-CE1 3.46Å; V377-F525 HydrophobicContact CG2-CZ 4.37Å
378A94.6Very high86.8Confident6 Ų647.5 Ų47.55%0.0531%0.308CS..G310 helixtrans-104.619.8176.800000112.1P375 L376 G404 F520 V521P375-A378 HydrophobicContact CB-CB 4.34Å; P375-A378 CarbonylContact O-C 3.59Å; P375-A378 PolarHBondContact O-N 3.23Å; L376-A378 PolarHBondContact O-N 3.21Å; A378-G404 PolarHBondContact O-N 3.38Å; A378-F520 WeakPolarHBondContact O-CD2 3.47Å; A378-V521 HydrophobicContact CB-CG2 4.14Å
379T94.9Very high84.2Confident4 Ų456.7 Ų56.73%0.02533%0.326CS..EExtended strand (participates in β ladder)trans-113.1137179.2-61.90000110L354 P375 L376 T403 C433L354-T379 HydrophobicContact CD1-CG2 4.39Å; P375-T379 PolarHBondContact O-N 2.91Å; P375-T379 PolarHBondContact O-OG1 2.92Å; L376-T379 WeakPolarHBondContact O-CB 3.42Å; L376-T379 PolarHBondContact O-N 3.42Å; T379-T403 HydrophobicContact CG2-CG2 3.68Å; T379-C433 PolarHBondContact O-SG 3.07Å; T379-C433 VanDerWaalsContact O-SG 3.35Å
380R92.3Very high81.5Confident88 Ų8856 Ų5633%0.33232%0.322SS..EExtended strand (participates in β ladder)trans-126.8135176.2-67.2-172.166.9105.2-2.1111.6T401 R402 F520 H523R380-T401 CarbonylContact O-C 3.48Å; R380-T401 VanDerWaalsContact O-CA 3.26Å; R380-T401 WeakPolarHBondContact O-CA 3.38Å; R380-R402 PolarHBondContact N-O 3.03Å; R380-R402 PolarHBondContact O-N 2.62Å; R380-F520 HydrophobicContact CG-CB 4.41Å; R380-F520 HydrophobicContact CG-CD1 4.38Å; R380-F520 HydrophobicContact CG-CD2 3.98Å; R380-F520 HydrophobicContact CG-CE2 4.3Å; R380-F520 HydrophobicContact CG-CG 4.01Å; R380-H523 VanDerWaalsContact NH1-CG 3.33Å; R380-H523 PolarHBondContact NH1-ND1 3.11Å; R380-H523 VanDerWaalsContact NH1-ND1 3.1Å
381L91.9Very high78.8Confident44 Ų4460.4 Ų60.423%0.2335%0.35CS..EExtended strand (participates in β ladder)trans-76.8122.5161.2-169.373.2000108.9F399 T426 L429 V430L381-F399 HydrophobicContact CD1-CB 4.04Å; L381-F399 HydrophobicContact CD1-CD2 3.78Å; L381-F399 HydrophobicContact CD1-CG 4.29Å; L381-T426 HydrophobicContact CD2-CG2 3.57Å; L381-L429 HydrophobicContact CD1-CD1 4.11Å; L381-V430 HydrophobicContact CD2-CG2 4.11Å
382V87.4Confident76.3Confident73 Ų7360.3 Ų60.344%0.44235%0.35SS..EExtended strand (participates in β ladder)trans-109.2-26.9-179-92.70000113.7A400 R402V382-A400 HydrophobicContact CG2-CB 3.84Å; V382-A400 VanDerWaalsContact CG2-O 3.24Å; V382-A400 WeakPolarHBondContact CG2-O 3.39Å; V382-A400 PolarHBondContact N-O 3.17Å; V382-R402 HydrophobicContact CG1-CG 4.09Å; V382-R402 HydrophobicContact CG2-CB 4.49Å; V382-R402 HydrophobicContact CG2-CG 3.73Å
383H84.4Confident73.9Confident78 Ų7865 Ų6536%0.36138%0.377SS..EExtended strand (participates in β ladder)trans-143.6144.3179.2177.572.6000109.2F399 A400H383-F399 CarbonylContact O-C 3.56Å; H383-F399 WeakPolarHBondContact O-CA 3.29Å; H383-F399 VanDerWaalsContact O-CB 3.28Å; H383-F399 WeakPolarHBondContact O-CB 3.48Å; H383-A400 HydrophobicContact CB-CB 4.04Å; H383-A400 PolarHBondContact O-N 3.33Å
384S85.3Confident72Confident52 Ų5265.3 Ų65.336%0.36439%0.389SS..EExtended strand (participates in β ladder)trans-153.2110.7169.6166.30000107.4T398 T426S384-T398 WeakPolarHBondContact CA-O 3.45Å; S384-T426 WeakPolarHBondContact CB-OG1 3.49Å; S384-T426 PolarHBondContact OG-OG1 2.87Å
385G80.4Confident70.7Confident18 Ų1866.4 Ų66.419%0.18640%0.398CS..EExtended strand (participates in β ladder)trans169.8-178.2-179.600000113.9T398G385-T398 PolarHBondContact N-O 2.82Å; G385-T398 PolarHBondContact O-N 2.77Å; G385-T398 VanDerWaalsContact O-O 3.04Å
386S73.9Confident70Confident32 Ų3266.9 Ų66.922%0.22440%0.397CS..EExtended strand (participates in β ladder)trans-78.7138.9164.2165.10000108.9C388 S395S386-C388 PolarHBondContact O-N 2.52Å; S386-C388 PolarHBondContact OG-N 2.82Å; S386-S395 WeakPolarHBondContact OG-CB 3.25Å; S386-S395 PolarHBondContact OG-OG 3.34Å
387G57.3Low69.8Low66 Ų6667.7 Ų67.768%0.6840%0.402SS*.SBendtrans-61.3-11.4177.800000114.8
388C44.9Very low69.8Low68 Ų6867.9 Ų67.946%0.45940%0.403SS..SBendtrans-108.7135.3175.9-73.50000111.7S386 S390S386-C388 PolarHBondContact O-N 2.52Å; S386-C388 PolarHBondContact OG-N 2.82Å; C388-S390 VanDerWaalsContact CB-O 3.27Å; C388-S390 WeakPolarHBondContact CB-O 3.21Å; C388-S390 PolarHBondContact O-N 3.24Å
389R36.7Very low69.8Low271 Ų27167.6 Ų67.6100%1.02340%0.4SS*.SBendtrans-63.51171.4-74.8-174.3176.1-162.8-0.7113.9
390S34.8Very low69.8Low75 Ų7567.7 Ų67.752%0.52440%0.402SS..SBendtrans-135.1136.516954.50000109.4C388 S392C388-S390 VanDerWaalsContact CB-O 3.27Å; C388-S390 WeakPolarHBondContact CB-O 3.21Å; C388-S390 PolarHBondContact O-N 3.24Å; S390-S392 PolarHBondContact O-N 2.86Å
391P37.7Very low69.9Low127 Ų12763.6 Ų63.683%0.82539%0.386SS*.  trans-71.693.8176.727.1-30.5000109.4
392S40.3Very low70Confident63 Ų6365.1 Ų65.144%0.44139%0.389SS..  trans-82.9143.1160.354.60000109.3S390 G394 S395S390-S392 PolarHBondContact O-N 2.86Å; S392-G394 PolarHBondContact O-N 2.95Å; S392-G394 VanDerWaalsContact O-N 3.1Å; S392-S395 PolarHBondContact O-N 3.33Å; S392-S395 PolarHBondContact O-OG 3.36Å
393L43.5Very low70.3Confident175 Ų17561.7 Ų61.792%0.91637%0.369SS*.THydrogen-bonded Turntrans-59.2112.7170.9-14984000107.6
394G53.5Low70.4Confident67 Ų6758.2 Ų58.269%0.69135%0.354SS*.THydrogen-bonded Turntrans103.313.2-178.300000116.3S392S392-G394 PolarHBondContact O-N 2.95Å; S392-G394 VanDerWaalsContact O-N 3.1Å
395S65.9Low70Confident28 Ų2857 Ų5720%0.19635%0.345CS..  trans-76.1130.6167.255.60000111.5S386 S392 L397S386-S395 WeakPolarHBondContact OG-CB 3.25Å; S386-S395 PolarHBondContact OG-OG 3.34Å; S392-S395 PolarHBondContact O-N 3.33Å; S392-S395 PolarHBondContact O-OG 3.36Å; S395-L397 PolarHBondContact O-N 2.81Å
396D81.1Confident69.4Low61 Ų6168.1 Ų68.133%0.32638%0.382SS..  trans-61.1127.4179-73.1-25.9000110.2W342 T398 R415W342-D396 PolarHBondContact NE1-OD2 3.48Å; D396-T398 HydrophobicContact CB-CG2 3.81Å; D396-T398 PolarHBondContact O-N 2.8Å; D396-R415 IonicContact OD1-CZ 3.28Å; D396-R415 IonicContact OD1-NE 3.16Å
397L91.5Very high69.3Low17 Ų1775.5 Ų75.59%0.08941%0.412CS..EExtended strand (participates in β ladder)trans-82.1110.6171.9-60.9178.7000107.7S395 R415 V416 H419 L422S395-L397 PolarHBondContact O-N 2.81Å; L397-R415 CarbonylContact O-C 3.48Å; L397-R415 VanDerWaalsContact O-CA 3.29Å; L397-R415 WeakPolarHBondContact O-CA 3.46Å; L397-V416 HydrophobicContact CB-CG2 3.61Å; L397-V416 WeakPolarHBondContact O-CG2 3.27Å; L397-V416 PolarHBondContact O-N 3.06Å; L397-H419 VanDerWaalsContact CD2-CE1 3.42Å; L397-H419 WeakPolarHBondContact CD2-CE1 3.32Å; L397-L422 HydrophobicContact CB-CD2 4.44Å
398T93.4Very high70.5Confident12 Ų1272.7 Ų72.77%0.07438%0.383CS..EExtended strand (participates in β ladder)trans-129.2151.8-172.967.60000112.9W342 S384 G385 D396 F414 R415W342-T398 HydrophobicContact CH2-CG2 3.85Å; W342-T398 HydrophobicContact CZ2-CG2 4.17Å; S384-T398 WeakPolarHBondContact CA-O 3.45Å; G385-T398 PolarHBondContact N-O 2.82Å; G385-T398 PolarHBondContact O-N 2.77Å; G385-T398 VanDerWaalsContact O-O 3.04Å; D396-T398 HydrophobicContact CB-CG2 3.81Å; D396-T398 PolarHBondContact O-N 2.8Å; T398-F414 CarbonylContact C-O 3.35Å; T398-F414 WeakPolarHBondContact CA-O 3.46Å; T398-F414 VanDerWaalsContact CB-O 3.27Å; T398-F414 WeakPolarHBondContact CB-O 3.49Å; T398-R415 HydrophobicContact CG2-CB 4.2Å
399F95.4Very high72.5Confident0 Ų071.6 Ų71.60%037%0.373CS..EExtended strand (participates in β ladder)trans-134.4151.1164.471.4-92.9000109.7L329 M347 L381 H383 T401 F414 V416 L422 W425 L429L329-F399 HydrophobicContact CD1-CE1 4.13Å; L329-F399 HydrophobicContact CD1-CZ 3.79Å; L329-F399 HydrophobicContact CD2-CE1 4.42Å; M347-F399 HydrophobicContact CE-CE2 4.25Å; M347-F399 HydrophobicContact CE-CZ 4.1Å; M347-F399 HydrophobicContact SD-CZ 4.43Å; L381-F399 HydrophobicContact CD1-CB 4.04Å; L381-F399 HydrophobicContact CD1-CD2 3.78Å; L381-F399 HydrophobicContact CD1-CG 4.29Å; H383-F399 CarbonylContact O-C 3.56Å; H383-F399 WeakPolarHBondContact O-CA 3.29Å; H383-F399 VanDerWaalsContact O-CB 3.28Å; H383-F399 WeakPolarHBondContact O-CB 3.48Å; F399-T401 HydrophobicContact CD2-CG2 4.22Å; F399-T401 HydrophobicContact CE2-CG2 4.05Å; F399-F414 HydrophobicContact CD1-CB 4.12Å; F399-F414 HydrophobicContact CD2-CB 4.33Å; F399-F414 AromaticContact CD2-CD2 3.92Å; F399-F414 HydrophobicContact CD2-CD2 3.92Å; F399-F414 HydrophobicContact CE1-CB 3.71Å; F399-F414 HydrophobicContact CE1-CG 4.46Å; F399-F414 HydrophobicContact CE2-CB 3.94Å; F399-F414 AromaticContact CE2-CD2 3.32Å; F399-F414 HydrophobicContact CE2-CD2 3.32Å; F399-F414 HydrophobicContact CE2-CE2 4.11Å; F399-F414 AromaticContact CE2-CG 3.93Å; F399-F414 HydrophobicContact CE2-CG 3.93Å; F399-F414 HydrophobicContact CG-CB 4.42Å; F399-F414 HydrophobicContact CZ-CB 3.61Å; F399-F414 AromaticContact CZ-CD2 3.74Å; F399-F414 HydrophobicContact CZ-CD2 3.74Å; F399-F414 AromaticContact CZ-CG 3.86Å; F399-F414 HydrophobicContact CZ-CG 3.86Å; F399-F414 PolarHBondContact N-O 2.65Å; F399-F414 PolarHBondContact O-N 3.39Å; F399-V416 HydrophobicContact CD1-CG1 4.03Å; F399-V416 HydrophobicContact CE1-CG1 3.73Å; F399-L422 HydrophobicContact CB-CD1 3.95Å; F399-L422 HydrophobicContact CD1-CD1 4.1Å; F399-W425 HydrophobicContact CD1-CB 4.33Å; F399-W425 HydrophobicContact CE1-CB 3.83Å; F399-W425 AromaticContact CE1-CG 3.99Å; F399-W425 HydrophobicContact CE1-CG 3.99Å; F399-W425 HydrophobicContact CZ-CB 4.17Å; F399-W425 HydrophobicContact CZ-CD2 4.41Å; F399-W425 HydrophobicContact CZ-CG 4.27Å; F399-L429 HydrophobicContact CD2-CD1 3.91Å; F399-L429 HydrophobicContact CE2-CD1 3.45Å; F399-L429 VanDerWaalsContact CE2-CD1 3.45Å; F399-L429 HydrophobicContact CZ-CD1 4.12Å
400A94.5Very high75.1Confident7 Ų761.1 Ų61.16%0.05834%0.335CS..EExtended strand (participates in β ladder)trans-122.1138.1179.400000111V382 H383 H412 L413V382-A400 HydrophobicContact CG2-CB 3.84Å; V382-A400 VanDerWaalsContact CG2-O 3.24Å; V382-A400 WeakPolarHBondContact CG2-O 3.39Å; V382-A400 PolarHBondContact N-O 3.17Å; H383-A400 HydrophobicContact CB-CB 4.04Å; H383-A400 PolarHBondContact O-N 3.33Å; A400-H412 CarbonylContact C-O 3.58Å; A400-H412 WeakPolarHBondContact CA-O 3.35Å; A400-L413 HydrophobicContact CB-CD1 3.9Å
401T95.1Very high77.7Confident1 Ų163.7 Ų63.71%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-109.4145.9171.766.40000110.1R380 F399 M411 H412 F414 L429R380-T401 CarbonylContact O-C 3.48Å; R380-T401 VanDerWaalsContact O-CA 3.26Å; R380-T401 WeakPolarHBondContact O-CA 3.38Å; F399-T401 HydrophobicContact CD2-CG2 4.22Å; F399-T401 HydrophobicContact CE2-CG2 4.05Å; T401-M411 WeakPolarHBondContact O-CA 3.46Å; T401-H412 PolarHBondContact N-O 3.16Å; T401-H412 PolarHBondContact O-N 3.14Å; T401-F414 HydrophobicContact CG2-CD2 4.38Å; T401-F414 HydrophobicContact CG2-CE2 3.99Å; T401-F414 WeakPolarHBondContact OG1-CE2 3.31Å; T401-L429 HydrophobicContact CG2-CD1 4.15Å
402R93.9Very high80.3Confident77 Ų7758.5 Ų58.529%0.29131%0.305SS..EExtended strand (participates in β ladder)trans-117.5120.6164.1-71.3176.377.2-178.51.7108R380 V382 I409 E410 M411 F520R380-R402 PolarHBondContact N-O 3.03Å; R380-R402 PolarHBondContact O-N 2.62Å; V382-R402 HydrophobicContact CG1-CG 4.09Å; V382-R402 HydrophobicContact CG2-CB 4.49Å; V382-R402 HydrophobicContact CG2-CG 3.73Å; R402-I409 HydrophobicContact CB-CG2 3.94Å; R402-I409 HydrophobicContact CG-CG2 4.3Å; R402-E410 CarbonylContact C-O 3.59Å; R402-E410 VanDerWaalsContact CA-O 3.26Å; R402-E410 WeakPolarHBondContact CA-O 3.18Å; R402-M411 HydrophobicContact CG-CB 4.37Å; R402-M411 HydrophobicContact CG-CE 3.83Å; R402-M411 HydrophobicContact CG-CG 4.33Å; R402-F520 HydrophobicContact CB-CE2 3.73Å; R402-F520 HydrophobicContact CB-CZ 3.97Å; R402-F520 WeakPolarHBondContact O-CE2 3.41Å
403T91.9Very high82.8Confident1 Ų157.5 Ų57.51%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-115.8131.7-174.751.90000109Y374 T379 I409 E410Y374-T403 VanDerWaalsContact CD1-CB 3.41Å; Y374-T403 HydrophobicContact CD1-CG2 3.97Å; Y374-T403 VanDerWaalsContact CD1-OG1 3.23Å; Y374-T403 WeakPolarHBondContact CD1-OG1 3.31Å; Y374-T403 HydrophobicContact CD2-CG2 4.05Å; Y374-T403 WeakPolarHBondContact CE1-OG1 3.35Å; Y374-T403 HydrophobicContact CG-CG2 3.62Å; T379-T403 HydrophobicContact CG2-CG2 3.68Å; T403-I409 WeakPolarHBondContact O-CA 3.18Å; T403-E410 PolarHBondContact N-O 3.22Å; T403-E410 PolarHBondContact O-N 2.88Å
404G86.4Confident85.3Confident5 Ų549.2 Ų49.25%0.05225%0.252CS..EExtended strand (participates in β ladder)trans-80.4122.1171.700000110.1A378A378-G404 PolarHBondContact O-N 3.38Å
405S77.8Confident87.3Confident27 Ų2746.9 Ų46.919%0.18922%0.222CC..EExtended strand (participates in β ladder)trans-120.6172172.581.80000110.4Q407 G408 E410S405-Q407 PolarHBondContact O-N 3.07Å; S405-Q407 PolarHBondContact OG-N 2.77Å; S405-G408 PolarHBondContact N-O 3.14Å; S405-G408 PolarHBondContact O-N 3.27Å; S405-G408 VanDerWaalsContact O-N 3.14Å; S405-G408 VanDerWaalsContact O-O 3.11Å; S405-E410 WeakPolarHBondContact CB-OE1 3.37Å; S405-E410 PolarHBondContact OG-OE1 2.9Å
406R69Low88.6Confident251 Ų25145.8 Ų45.895%0.94721%0.214SC*.THydrogen-bonded Turntrans-62.6-19.9174-67.8-178.1179.8-113.91.5112.6
407Q71.7Confident89.2Confident186 Ų18644 Ų4487%0.86920%0.204SC*.THydrogen-bonded Turntrans-93.6-4.4179.9-62-179-1.900112.7S405S405-Q407 PolarHBondContact O-N 3.07Å; S405-Q407 PolarHBondContact OG-N 2.77Å
408G80.8Confident89.2Confident7 Ų744.9 Ų44.97%0.07221%0.21CC..EExtended strand (participates in β ladder)trans131.3-139.5178.100000112.9S405S405-G408 PolarHBondContact N-O 3.14Å; S405-G408 PolarHBondContact O-N 3.27Å; S405-G408 VanDerWaalsContact O-N 3.14Å; S405-G408 VanDerWaalsContact O-O 3.11Å
409I88.3Confident89.1Confident45 Ų4550.6 Ų50.623%0.23124%0.235CC..EExtended strand (participates in β ladder)trans-105.2128172.1-59.9178000108.9R402 T403 K516 F520R402-I409 HydrophobicContact CB-CG2 3.94Å; R402-I409 HydrophobicContact CG-CG2 4.3Å; T403-I409 WeakPolarHBondContact O-CA 3.18Å; I409-K516 HydrophobicContact CD1-CB 3.52Å; I409-K516 HydrophobicContact CD1-CD 3.39Å; I409-K516 HydrophobicContact CD1-CG 3.62Å; I409-K516 HydrophobicContact CG1-CB 3.56Å; I409-K516 HydrophobicContact CG1-CD 3.9Å; I409-K516 HydrophobicContact CG1-CG 4.15Å; I409-F520 HydrophobicContact CD1-CE1 4.19Å; I409-F520 HydrophobicContact CD1-CE2 4.23Å; I409-F520 HydrophobicContact CD1-CZ 3.65Å; I409-F520 HydrophobicContact CG1-CE2 4.4Å; I409-F520 HydrophobicContact CG1-CZ 4.31Å; I409-F520 HydrophobicContact CG2-CE2 4.28Å; I409-F520 HydrophobicContact CG2-CZ 4.42Å
410E90.3Very high89Confident51 Ų5157.7 Ų57.724%0.23826%0.262CS..EExtended strand (participates in β ladder)trans-100.8145.1167.5-70165.2-125.100109.9Y374 R402 T403 S405 H412Y374-E410 HydrophobicContact CE1-CB 4.35Å; Y374-E410 VanDerWaalsContact CE1-OE2 3.27Å; Y374-E410 WeakPolarHBondContact CE1-OE2 3.47Å; Y374-E410 VanDerWaalsContact CZ-OE2 3.3Å; Y374-E410 PolarHBondContact OH-OE2 2.76Å; R402-E410 CarbonylContact C-O 3.59Å; R402-E410 VanDerWaalsContact CA-O 3.26Å; R402-E410 WeakPolarHBondContact CA-O 3.18Å; T403-E410 PolarHBondContact N-O 3.22Å; T403-E410 PolarHBondContact O-N 2.88Å; S405-E410 WeakPolarHBondContact CB-OE1 3.37Å; S405-E410 PolarHBondContact OG-OE1 2.9Å; E410-H412 IonicContact OE2-NE2 3.55Å
411M89.9Confident89Confident129 Ų12958.1 Ų58.164%0.63526%0.263SS*.EExtended strand (participates in β ladder)trans-124.7125.9178.9178.5-177.3-73.900108.9T401 R402T401-M411 WeakPolarHBondContact O-CA 3.46Å; R402-M411 HydrophobicContact CG-CB 4.37Å; R402-M411 HydrophobicContact CG-CE 3.83Å; R402-M411 HydrophobicContact CG-CG 4.33Å
412H91.9Very high89Confident18 Ų1858.6 Ų58.68%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-121.7130177.8-58.2-100.3000109E331 Y374 A400 T401 E410 F414E331-H412 IonicContact OE1-CE1 3.99Å; E331-H412 IonicContact OE1-CG 3.17Å; E331-H412 IonicContact OE1-ND1 2.64Å; E331-H412 PolarHBondContact OE1-ND1 3.4Å; Y374-H412 AromaticContact CE2-NE2 3.81Å; Y374-H412 AromaticContact CZ-CE1 4Å; Y374-H412 AromaticContact CZ-NE2 3.45Å; Y374-H412 PolarHBondContact OH-CE1 2.81Å; Y374-H412 VanDerWaalsContact OH-CE1 3.27Å; Y374-H412 PolarHBondContact OH-NE2 3.42Å; A400-H412 CarbonylContact C-O 3.58Å; A400-H412 WeakPolarHBondContact CA-O 3.35Å; T401-H412 PolarHBondContact N-O 3.16Å; T401-H412 PolarHBondContact O-N 3.14Å; E410-H412 IonicContact OE2-NE2 3.55Å; H412-F414 HydrophobicContact CB-CD2 4.26Å; H412-F414 HydrophobicContact CB-CE1 4.1Å; H412-F414 HydrophobicContact CB-CE2 3.42Å; H412-F414 VanDerWaalsContact CB-CE2 3.42Å; H412-F414 HydrophobicContact CB-CZ 3.31Å; H412-F414 AromaticContact CG-CZ 4Å
413L93.6Very high89Confident43 Ų4358.8 Ų58.823%0.22528%0.279CS..EExtended strand (participates in β ladder)trans-103.4123171.2-177.170.8000108.1Q332 W342 A400Q332-L413 HydrophobicContact CB-CB 4.04Å; Q332-L413 HydrophobicContact CB-CD2 4.24Å; Q332-L413 HydrophobicContact CB-CG 4.48Å; Q332-L413 PolarHBondContact N-O 3.02Å; W342-L413 HydrophobicContact CH2-CD2 3.81Å; W342-L413 HydrophobicContact CH2-CG 3.96Å; W342-L413 HydrophobicContact CZ2-CD2 4.5Å; W342-L413 HydrophobicContact CZ3-CG 4.48Å; A400-L413 HydrophobicContact CB-CD1 3.9Å
414F95.5Very high89.2Confident1 Ų160.9 Ų60.90%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-113.4139.5179.4-57-75.7000109.8L329 A330 E331 V345 M347 L356 T398 F399 T401 H412L329-F414 HydrophobicContact CD1-CB 4.38Å; L329-F414 HydrophobicContact CD1-CD1 4.33Å; L329-F414 HydrophobicContact CD1-CG 4.4Å; A330-F414 CarbonylContact O-C 3.59Å; A330-F414 VanDerWaalsContact O-CA 3.27Å; A330-F414 WeakPolarHBondContact O-CA 3.36Å; E331-F414 HydrophobicContact CB-CD1 4.08Å; E331-F414 HydrophobicContact CB-CE1 4.13Å; E331-F414 HydrophobicContact CG-CD1 4.23Å; E331-F414 HydrophobicContact CG-CE1 3.98Å; V345-F414 HydrophobicContact CG1-CD1 4.09Å; V345-F414 HydrophobicContact CG1-CE1 4.04Å; M347-F414 HydrophobicContact CE-CD1 3.88Å; M347-F414 HydrophobicContact CE-CD2 3.72Å; M347-F414 HydrophobicContact CE-CE1 3.55Å; M347-F414 HydrophobicContact CE-CE2 3.32Å; M347-F414 HydrophobicContact CE-CG 3.95Å; M347-F414 HydrophobicContact CE-CZ 3.24Å; L356-F414 HydrophobicContact CD1-CZ 4.35Å; L356-F414 HydrophobicContact CD2-CE1 4.29Å; L356-F414 HydrophobicContact CD2-CZ 4.27Å; T398-F414 CarbonylContact C-O 3.35Å; T398-F414 WeakPolarHBondContact CA-O 3.46Å; T398-F414 VanDerWaalsContact CB-O 3.27Å; T398-F414 WeakPolarHBondContact CB-O 3.49Å; F399-F414 HydrophobicContact CD1-CB 4.12Å; F399-F414 HydrophobicContact CD2-CB 4.33Å; F399-F414 AromaticContact CD2-CD2 3.92Å; F399-F414 HydrophobicContact CD2-CD2 3.92Å; F399-F414 HydrophobicContact CE1-CB 3.71Å; F399-F414 HydrophobicContact CE1-CG 4.46Å; F399-F414 HydrophobicContact CE2-CB 3.94Å; F399-F414 AromaticContact CE2-CD2 3.32Å; F399-F414 HydrophobicContact CE2-CD2 3.32Å; F399-F414 HydrophobicContact CE2-CE2 4.11Å; F399-F414 AromaticContact CE2-CG 3.93Å; F399-F414 HydrophobicContact CE2-CG 3.93Å; F399-F414 HydrophobicContact CG-CB 4.42Å; F399-F414 HydrophobicContact CZ-CB 3.61Å; F399-F414 AromaticContact CZ-CD2 3.74Å; F399-F414 HydrophobicContact CZ-CD2 3.74Å; F399-F414 AromaticContact CZ-CG 3.86Å; F399-F414 HydrophobicContact CZ-CG 3.86Å; F399-F414 PolarHBondContact N-O 2.65Å; F399-F414 PolarHBondContact O-N 3.39Å; T401-F414 HydrophobicContact CG2-CD2 4.38Å; T401-F414 HydrophobicContact CG2-CE2 3.99Å; T401-F414 WeakPolarHBondContact OG1-CE2 3.31Å; H412-F414 HydrophobicContact CB-CD2 4.26Å; H412-F414 HydrophobicContact CB-CE1 4.1Å; H412-F414 HydrophobicContact CB-CE2 3.42Å; H412-F414 VanDerWaalsContact CB-CE2 3.42Å; H412-F414 HydrophobicContact CB-CZ 3.31Å; H412-F414 AromaticContact CG-CZ 4Å
415R94.6Very high89.7Confident17 Ų1761 Ų616%0.06429%0.292CS..EExtended strand (participates in β ladder)trans-104.9138.7169.5169.4-176.6163.5-154.5-15.7109.2R252 N253 A330 W342 D396 L397 T398 E417R252-R415 PolarHBondContact O-NH1 2.87Å; R252-R415 PolarHBondContact O-NH2 2.9Å; N253-R415 PolarHBondContact O-NH1 3.34Å; N253-R415 VanDerWaalsContact O-NH1 3.17Å; A330-R415 HydrophobicContact CB-CB 4.06Å; A330-R415 PolarHBondContact N-O 3.37Å; A330-R415 PolarHBondContact O-N 2.82Å; W342-R415 HydrophobicContact CD2-CB 4.14Å; W342-R415 HydrophobicContact CE3-CB 3.74Å; W342-R415 HydrophobicContact CH2-CB 3.59Å; W342-R415 HydrophobicContact CZ2-CB 3.97Å; W342-R415 HydrophobicContact CZ3-CB 3.45Å; W342-R415 VanDerWaalsContact CZ3-CB 3.45Å; D396-R415 IonicContact OD1-CZ 3.28Å; D396-R415 IonicContact OD1-NE 3.16Å; L397-R415 CarbonylContact O-C 3.48Å; L397-R415 VanDerWaalsContact O-CA 3.29Å; L397-R415 WeakPolarHBondContact O-CA 3.46Å; T398-R415 HydrophobicContact CG2-CB 4.2Å; R415-E417 IonicContact CZ-OE1 2.58Å; R415-E417 IonicContact NE-OE1 3.74Å; R415-E417 IonicContact NH2-OE1 3.25Å; R415-E417 PolarHBondContact NH2-OE1 2.78Å; R415-E417 IonicContact NH2-OE2 2.95Å; R415-E417 PolarHBondContact NH2-OE2 3.2Å
416V95.1Very high90.5Very high5 Ų561.2 Ų61.23%0.0329%0.293CS..EExtended strand (participates in β ladder)trans-117.1165.4173.3-650000110.2L329 L397 F399 D421 L422L329-V416 HydrophobicContact CD2-CB 4.47Å; L329-V416 HydrophobicContact CD2-CG1 3.45Å; L329-V416 VanDerWaalsContact CD2-CG1 3.45Å; L397-V416 HydrophobicContact CB-CG2 3.61Å; L397-V416 WeakPolarHBondContact O-CG2 3.27Å; L397-V416 PolarHBondContact O-N 3.06Å; F399-V416 HydrophobicContact CD1-CG1 4.03Å; F399-V416 HydrophobicContact CE1-CG1 3.73Å; V416-D421 HydrophobicContact CB-CB 4Å; V416-D421 HydrophobicContact CG1-CB 4.31Å; V416-L422 HydrophobicContact CG2-CB 3.66Å; V416-L422 HydrophobicContact CG2-CD1 4.03Å; V416-L422 HydrophobicContact CG2-CG 4.38Å
417E92.2Very high91.8Very high25 Ų2557 Ų5712%0.11728%0.277CS..SBendtrans-95.9-27.9-169.7-76.4-49.2122.100113.7F249 A250 R252 F289 R415F249-E417 HydrophobicContact CE2-CG 4.03Å; A250-E417 WeakPolarHBondContact O-CG 3.26Å; R252-E417 PolarHBondContact N-OE2 3.18Å; F289-E417 HydrophobicContact CZ-CB 3.79Å; F289-E417 HydrophobicContact CZ-CG 4.18Å; F289-E417 WeakPolarHBondContact CZ-OE2 3.27Å; R415-E417 IonicContact CZ-OE1 2.58Å; R415-E417 IonicContact NE-OE1 3.74Å; R415-E417 IonicContact NH2-OE1 3.25Å; R415-E417 PolarHBondContact NH2-OE1 2.78Å; R415-E417 IonicContact NH2-OE2 2.95Å; R415-E417 PolarHBondContact NH2-OE2 3.2Å
418T92.1Very high92.9Very high34 Ų3449.8 Ų49.821%0.20924%0.244CC..SBendtrans-13515817778.90000113.1F289 R420 D421 L422F289-T418 HydrophobicContact CE1-CG2 4.22Å; T418-R420 PolarHBondContact O-N 2.86Å; T418-R420 PolarHBondContact OG1-N 3.44Å; T418-D421 VanDerWaalsContact CB-OD2 3.31Å; T418-D421 WeakPolarHBondContact CB-OD2 3.44Å; T418-D421 WeakPolarHBondContact CG2-OD2 3.31Å; T418-D421 PolarHBondContact N-OD2 2.85Å; T418-D421 WeakPolarHBondContact O-CB 3.18Å; T418-D421 PolarHBondContact O-N 3.01Å; T418-D421 VanDerWaalsContact O-N 3.07Å; T418-D421 PolarHBondContact OG1-N 2.77Å; T418-D421 VanDerWaalsContact OG1-N 3.14Å; T418-D421 PolarHBondContact OG1-OD1 2.92Å; T418-D421 PolarHBondContact OG1-OD2 3.14Å; T418-L422 PolarHBondContact O-N 3.02Å
419H91.9Very high93.7Very high132 Ų13249.7 Ų49.761%0.61124%0.242SC*.Hα-helixtrans-60.7-29172.5-78.5-80.6000113L397 D421 S423L397-H419 VanDerWaalsContact CD2-CE1 3.42Å; L397-H419 WeakPolarHBondContact CD2-CE1 3.32Å; H419-D421 VanDerWaalsContact C-N 3.35Å; H419-S423 WeakPolarHBondContact O-CB 3.44Å; H419-S423 PolarHBondContact O-N 2.76Å; H419-S423 PolarHBondContact O-OG 2.91Å
420R93Very high94Very high149 Ų14950.3 Ų50.356%0.56225%0.247SC*.Hα-helixtrans-65.8-42174.2-177.3-177.6-67.4-170.40.3110.1W16 T418 S423 S424W16-R420 VanDerWaalsContact CH2-NH1 3.27Å; T418-R420 PolarHBondContact O-N 2.86Å; T418-R420 PolarHBondContact OG1-N 3.44Å; R420-S423 PolarHBondContact O-N 3.42Å; R420-S424 WeakPolarHBondContact O-CB 3.41Å; R420-S424 PolarHBondContact O-N 3.27Å; R420-S424 PolarHBondContact O-OG 3.25Å
421D94.3Very high94.2Very high17 Ų1752.5 Ų52.59%0.09126%0.258CS..Hα-helixtrans-67.1-45.1178.2-52.1-36.6000110.4H293 V416 T418 H419 S423 S424 W425H293-D421 IonicContact CE1-OD1 2.65Å; H293-D421 PolarHBondContact CE1-OD1 2.99Å; H293-D421 IonicContact CE1-OD2 2.72Å; H293-D421 PolarHBondContact CE1-OD2 3.1Å; H293-D421 IonicContact NE2-OD2 2.78Å; H293-D421 PolarHBondContact NE2-OD2 3.18Å; V416-D421 HydrophobicContact CB-CB 4Å; V416-D421 HydrophobicContact CG1-CB 4.31Å; T418-D421 VanDerWaalsContact CB-OD2 3.31Å; T418-D421 WeakPolarHBondContact CB-OD2 3.44Å; T418-D421 WeakPolarHBondContact CG2-OD2 3.31Å; T418-D421 PolarHBondContact N-OD2 2.85Å; T418-D421 WeakPolarHBondContact O-CB 3.18Å; T418-D421 PolarHBondContact O-N 3.01Å; T418-D421 VanDerWaalsContact O-N 3.07Å; T418-D421 PolarHBondContact OG1-N 2.77Å; T418-D421 VanDerWaalsContact OG1-N 3.14Å; T418-D421 PolarHBondContact OG1-OD1 2.92Å; T418-D421 PolarHBondContact OG1-OD2 3.14Å; H419-D421 VanDerWaalsContact C-N 3.35Å; D421-S423 VanDerWaalsContact C-N 3.3Å; D421-S423 PolarHBondContact O-N 3.16Å; D421-S424 PolarHBondContact O-N 3.24Å; D421-S424 VanDerWaalsContact O-N 3.15Å; D421-W425 WeakPolarHBondContact O-CB 3.32Å; D421-W425 VanDerWaalsContact O-CD1 3.25Å; D421-W425 PolarHBondContact O-N 2.77Å
422L95.1Very high94.5Very high11 Ų1147 Ų476%0.05823%0.234CC..Hα-helixtrans-54.9-48.8175.9-173.159.1000111.4L397 F399 V416 T418 S424 T426L397-L422 HydrophobicContact CB-CD2 4.44Å; F399-L422 HydrophobicContact CB-CD1 3.95Å; F399-L422 HydrophobicContact CD1-CD1 4.1Å; V416-L422 HydrophobicContact CG2-CB 3.66Å; V416-L422 HydrophobicContact CG2-CD1 4.03Å; V416-L422 HydrophobicContact CG2-CG 4.38Å; T418-L422 PolarHBondContact O-N 3.02Å; L422-S424 VanDerWaalsContact C-N 3.33Å; L422-S424 PolarHBondContact O-N 3.36Å; L422-T426 WeakPolarHBondContact O-CB 3.42Å; L422-T426 PolarHBondContact O-N 2.85Å; L422-T426 PolarHBondContact O-OG1 3.29Å
423S94.4Very high94.7Very high80 Ų8046.7 Ų46.756%0.55923%0.234SC*.Hα-helixtrans-64.3-40.4179.8-54.90000111.6H419 R420 D421 R427H419-S423 WeakPolarHBondContact O-CB 3.44Å; H419-S423 PolarHBondContact O-N 2.76Å; H419-S423 PolarHBondContact O-OG 2.91Å; R420-S423 PolarHBondContact O-N 3.42Å; D421-S423 VanDerWaalsContact C-N 3.3Å; D421-S423 PolarHBondContact O-N 3.16Å; S423-R427 WeakPolarHBondContact O-CB 3.32Å; S423-R427 PolarHBondContact O-N 2.92Å; S423-R427 VanDerWaalsContact O-N 3.1Å
424S95Very high94.7Very high45 Ų4546 Ų4632%0.31523%0.229SC..Hα-helixtrans-66.4-50.4179.4-580000110.9R420 D421 L422 R427 I428R420-S424 WeakPolarHBondContact O-CB 3.41Å; R420-S424 PolarHBondContact O-N 3.27Å; R420-S424 PolarHBondContact O-OG 3.25Å; D421-S424 PolarHBondContact O-N 3.24Å; D421-S424 VanDerWaalsContact O-N 3.15Å; L422-S424 VanDerWaalsContact C-N 3.33Å; L422-S424 PolarHBondContact O-N 3.36Å; S424-R427 PolarHBondContact O-N 3.04Å; S424-I428 WeakPolarHBondContact O-CB 3.16Å; S424-I428 VanDerWaalsContact O-CD1 3.3Å; S424-I428 WeakPolarHBondContact O-CD1 3.13Å; S424-I428 WeakPolarHBondContact O-CG1 3.21Å; S424-I428 PolarHBondContact O-N 2.81Å
425W96.8Very high94.7Very high7 Ų748.5 Ų48.53%0.02725%0.25CC..Hα-helixtrans-60.6-46.4178.3-83.1111.5000112.7H325 A327 L329 M347 V349 F399 D421 R427 I428 L429H325-W425 AromaticContact CD2-CH2 3.62Å; H325-W425 AromaticContact CD2-CZ2 3.76Å; H325-W425 AromaticContact CD2-CZ3 3.82Å; A327-W425 HydrophobicContact CB-CZ2 3.73Å; L329-W425 HydrophobicContact CD1-CD2 4.33Å; L329-W425 HydrophobicContact CD1-CH2 4.23Å; L329-W425 HydrophobicContact CD1-CZ2 3.79Å; L329-W425 HydrophobicContact CD2-CZ2 4.17Å; L329-W425 VanDerWaalsContact CD2-NE1 3.34Å; L329-W425 HydrophobicContact CG-CZ2 3.96Å; M347-W425 HydrophobicContact CB-CH2 3.65Å; M347-W425 HydrophobicContact CB-CZ2 4.31Å; M347-W425 HydrophobicContact CB-CZ3 4.24Å; M347-W425 HydrophobicContact CG-CH2 3.71Å; M347-W425 HydrophobicContact CG-CZ3 3.79Å; M347-W425 HydrophobicContact SD-CE3 3.86Å; M347-W425 HydrophobicContact SD-CH2 3.74Å; M347-W425 HydrophobicContact SD-CZ3 3.3Å; M347-W425 WeakPolarHBondContact SD-CZ3 3.27Å; V349-W425 HydrophobicContact CG2-CZ3 3.93Å; F399-W425 HydrophobicContact CD1-CB 4.33Å; F399-W425 HydrophobicContact CE1-CB 3.83Å; F399-W425 AromaticContact CE1-CG 3.99Å; F399-W425 HydrophobicContact CE1-CG 3.99Å; F399-W425 HydrophobicContact CZ-CB 4.17Å; F399-W425 HydrophobicContact CZ-CD2 4.41Å; F399-W425 HydrophobicContact CZ-CG 4.27Å; D421-W425 WeakPolarHBondContact O-CB 3.32Å; D421-W425 VanDerWaalsContact O-CD1 3.25Å; D421-W425 PolarHBondContact O-N 2.77Å; W425-R427 VanDerWaalsContact C-N 3.31Å; W425-R427 PolarHBondContact O-N 2.82Å; W425-I428 PolarHBondContact O-N 2.8Å; W425-L429 WeakPolarHBondContact O-CB 3.26Å; W425-L429 VanDerWaalsContact O-CG 3.27Å; W425-L429 WeakPolarHBondContact O-CG 2.94Å; W425-L429 PolarHBondContact O-N 3.28Å
426T95.3Very high94.7Very high33 Ų3347.7 Ų47.720%0.20225%0.247CC..Hα-helixtrans-56.7-45.8175.3-74.30000111.5L381 S384 L422 V430L381-T426 HydrophobicContact CD2-CG2 3.57Å; S384-T426 WeakPolarHBondContact CB-OG1 3.49Å; S384-T426 PolarHBondContact OG-OG1 2.87Å; L422-T426 WeakPolarHBondContact O-CB 3.42Å; L422-T426 PolarHBondContact O-N 2.85Å; L422-T426 PolarHBondContact O-OG1 3.29Å; T426-V430 VanDerWaalsContact O-CG2 3.29Å; T426-V430 WeakPolarHBondContact O-CG2 3.43Å; T426-V430 PolarHBondContact O-N 3.49Å; T426-V430 VanDerWaalsContact O-N 3.12Å
427R95.3Very high94.7Very high161 Ų16147.4 Ų47.461%0.60825%0.245SC*.Hα-helixtrans-65.2-47.3177.5-178.5175.4178.6147-1.1112.1S423 S424 W425 L429 V430 Q431S423-R427 WeakPolarHBondContact O-CB 3.32Å; S423-R427 PolarHBondContact O-N 2.92Å; S423-R427 VanDerWaalsContact O-N 3.1Å; S424-R427 PolarHBondContact O-N 3.04Å; W425-R427 VanDerWaalsContact C-N 3.31Å; W425-R427 PolarHBondContact O-N 2.82Å; R427-L429 VanDerWaalsContact C-N 3.32Å; R427-L429 PolarHBondContact O-N 2.84Å; R427-V430 PolarHBondContact O-N 3.32Å; R427-Q431 HydrophobicContact CG-CG 4.13Å; R427-Q431 VanDerWaalsContact O-CB 3.25Å; R427-Q431 WeakPolarHBondContact O-CB 3.5Å; R427-Q431 VanDerWaalsContact O-CG 3.25Å; R427-Q431 WeakPolarHBondContact O-CG 3.49Å; R427-Q431 PolarHBondContact O-N 3.04Å
428I96.4Very high94.7Very high36 Ų3650.3 Ų50.319%0.18526%0.259CS..Hα-helixtrans-61.5-42.4-177.9-71.7160.7000110.8H325 V349 S424 W425 G432H325-I428 HydrophobicContact CB-CD1 4.13Å; H325-I428 HydrophobicContact CB-CG2 3.85Å; V349-I428 HydrophobicContact CB-CG2 4.21Å; V349-I428 HydrophobicContact CG1-CG2 4.21Å; V349-I428 HydrophobicContact CG2-CG2 4.2Å; S424-I428 WeakPolarHBondContact O-CB 3.16Å; S424-I428 VanDerWaalsContact O-CD1 3.3Å; S424-I428 WeakPolarHBondContact O-CD1 3.13Å; S424-I428 WeakPolarHBondContact O-CG1 3.21Å; S424-I428 PolarHBondContact O-N 2.81Å; W425-I428 PolarHBondContact O-N 2.8Å; I428-G432 WeakPolarHBondContact O-CA 3.3Å; I428-G432 PolarHBondContact O-N 3.17Å
429L96.6Very high94.7Very high4 Ų452.6 Ų52.62%0.02127%0.269CS..Hα-helixtrans-67.6-48.6178.9-70.5169.5000111.6M347 V349 L354 L381 F399 T401 W425 R427 G432 C433M347-L429 HydrophobicContact SD-CD2 4.46Å; V349-L429 HydrophobicContact CG2-CD2 4.02Å; L354-L429 HydrophobicContact CD1-CD2 3.6Å; L381-L429 HydrophobicContact CD1-CD1 4.11Å; F399-L429 HydrophobicContact CD2-CD1 3.91Å; F399-L429 HydrophobicContact CE2-CD1 3.45Å; F399-L429 VanDerWaalsContact CE2-CD1 3.45Å; F399-L429 HydrophobicContact CZ-CD1 4.12Å; T401-L429 HydrophobicContact CG2-CD1 4.15Å; W425-L429 WeakPolarHBondContact O-CB 3.26Å; W425-L429 VanDerWaalsContact O-CG 3.27Å; W425-L429 WeakPolarHBondContact O-CG 2.94Å; W425-L429 PolarHBondContact O-N 3.28Å; R427-L429 VanDerWaalsContact C-N 3.32Å; R427-L429 PolarHBondContact O-N 2.84Å; L429-G432 PolarHBondContact O-N 3.42Å; L429-C433 WeakPolarHBondContact O-CB 3.11Å; L429-C433 PolarHBondContact O-N 3.22Å; L429-C433 PolarHBondContact O-SG 3.33Å
430V94.4Very high94.7Very high58 Ų5848.5 Ų48.535%0.35225%0.252SS..Hα-helixtrans-62.8-49.1179.3173.10000111.1L381 T426 R427 G432 C433 H434L381-V430 HydrophobicContact CD2-CG2 4.11Å; T426-V430 VanDerWaalsContact O-CG2 3.29Å; T426-V430 WeakPolarHBondContact O-CG2 3.43Å; T426-V430 PolarHBondContact O-N 3.49Å; T426-V430 VanDerWaalsContact O-N 3.12Å; R427-V430 PolarHBondContact O-N 3.32Å; V430-G432 VanDerWaalsContact C-N 3.32Å; V430-G432 PolarHBondContact O-N 2.81Å; V430-C433 PolarHBondContact O-N 3.48Å; V430-H434 PolarHBondContact O-N 3.44Å; V430-H434 VanDerWaalsContact O-N 3.1Å
431Q94.9Very high94.7Very high98 Ų9847.2 Ų47.246%0.45825%0.25SS..Hα-helixtrans-65.7-36.7178.7-67.5-173.9-2700111.8R427 H434 A435R427-Q431 HydrophobicContact CG-CG 4.13Å; R427-Q431 VanDerWaalsContact O-CB 3.25Å; R427-Q431 WeakPolarHBondContact O-CB 3.5Å; R427-Q431 VanDerWaalsContact O-CG 3.25Å; R427-Q431 WeakPolarHBondContact O-CG 3.49Å; R427-Q431 PolarHBondContact O-N 3.04Å; Q431-H434 PolarHBondContact O-N 3.11Å; Q431-A435 WeakPolarHBondContact O-CB 3.26Å; Q431-A435 PolarHBondContact O-N 2.97Å
432G95.6Very high94.7Very high13 Ų1351.6 Ų51.613%0.13427%0.27CS..Hα-helixtrans-62.4-44.8174.400000112.3I428 L429 V430 H434 A435 A436I428-G432 WeakPolarHBondContact O-CA 3.3Å; I428-G432 PolarHBondContact O-N 3.17Å; L429-G432 PolarHBondContact O-N 3.42Å; V430-G432 VanDerWaalsContact C-N 3.32Å; V430-G432 PolarHBondContact O-N 2.81Å; G432-H434 VanDerWaalsContact C-N 3.34Å; G432-H434 PolarHBondContact O-N 2.72Å; G432-A435 PolarHBondContact O-N 2.65Å; G432-A436 WeakPolarHBondContact O-CB 3.5Å; G432-A436 PolarHBondContact O-N 3.07Å
433C96Very high94.7Very high11 Ų1152.4 Ų52.47%0.07428%0.275CS..Hα-helixtrans-60.1-42.1174.3-69.20000112.2L376 T379 L429 V430 A437 T524L376-C433 PolarHBondContact O-SG 3.44Å; T379-C433 PolarHBondContact O-SG 3.07Å; T379-C433 VanDerWaalsContact O-SG 3.35Å; L429-C433 WeakPolarHBondContact O-CB 3.11Å; L429-C433 PolarHBondContact O-N 3.22Å; L429-C433 PolarHBondContact O-SG 3.33Å; V430-C433 PolarHBondContact O-N 3.48Å; C433-A437 PolarHBondContact O-N 2.95Å; C433-T524 HydrophobicContact CB-CG2 4.02Å; C433-T524 WeakPolarHBondContact O-CG2 3.28Å
434H95.3Very high94.7Very high29 Ų2951.4 Ų51.413%0.13427%0.268CS..Hα-helixtrans-67.8-47.2177.5-65.9177.1000112.2V430 Q431 G432 A436 A437 E438 S527 A528 T531V430-H434 PolarHBondContact O-N 3.44Å; V430-H434 VanDerWaalsContact O-N 3.1Å; Q431-H434 PolarHBondContact O-N 3.11Å; G432-H434 VanDerWaalsContact C-N 3.34Å; G432-H434 PolarHBondContact O-N 2.72Å; H434-A436 VanDerWaalsContact C-N 3.31Å; H434-A436 PolarHBondContact O-N 2.97Å; H434-A437 WeakPolarHBondContact O-CB 3.38Å; H434-A437 PolarHBondContact O-N 2.88Å; H434-A437 VanDerWaalsContact O-N 3.14Å; H434-E438 PolarHBondContact O-N 3Å; H434-E438 VanDerWaalsContact O-N 3.1Å; H434-S527 PolarHBondContact NE2-OG 3.42Å; H434-A528 HydrophobicContact CB-CB 3.92Å; H434-T531 PolarHBondContact CE1-OG1 3.11Å
435A94.6Very high94.6Very high53 Ų5350.7 Ų50.744%0.43826%0.261SS..Hα-helixtrans-61.3-40.2176.500000111.8Q431 G432 A437 E438 L439Q431-A435 WeakPolarHBondContact O-CB 3.26Å; Q431-A435 PolarHBondContact O-N 2.97Å; G432-A435 PolarHBondContact O-N 2.65Å; A435-A437 VanDerWaalsContact C-N 3.32Å; A435-A437 PolarHBondContact O-N 2.86Å; A435-E438 PolarHBondContact O-N 2.88Å; A435-L439 WeakPolarHBondContact O-CB 3.48Å; A435-L439 PolarHBondContact O-N 3.39Å
436A94.7Very high94.4Very high0 Ų052.4 Ų52.40%028%0.281CS..Hα-helixtrans-62.4-39.317500000111.8E351 L376 G432 H434 L439 I440E351-A436 WeakPolarHBondContact O-CB 3.44Å; L376-A436 HydrophobicContact CB-CB 3.71Å; L376-A436 HydrophobicContact CD1-CB 4.31Å; G432-A436 WeakPolarHBondContact O-CB 3.5Å; G432-A436 PolarHBondContact O-N 3.07Å; H434-A436 VanDerWaalsContact C-N 3.31Å; H434-A436 PolarHBondContact O-N 2.97Å; A436-L439 PolarHBondContact O-N 2.88Å; A436-I440 HydrophobicContact CB-CD1 4.4Å; A436-I440 VanDerWaalsContact O-CB 3.25Å; A436-I440 WeakPolarHBondContact O-CB 3.44Å; A436-I440 WeakPolarHBondContact O-CD1 3.36Å; A436-I440 VanDerWaalsContact O-CG1 3.22Å; A436-I440 WeakPolarHBondContact O-CG1 3.38Å; A436-I440 PolarHBondContact O-N 2.71Å
437A94.4Very high94.4Very high0 Ų050.9 Ų50.90%027%0.272CS..Hα-helixtrans-62.7-43.9175.400000112.4C433 H434 A435 L439 K441 Y460 T524 F525 A528C433-A437 PolarHBondContact O-N 2.95Å; H434-A437 WeakPolarHBondContact O-CB 3.38Å; H434-A437 PolarHBondContact O-N 2.88Å; H434-A437 VanDerWaalsContact O-N 3.14Å; A435-A437 VanDerWaalsContact C-N 3.32Å; A435-A437 PolarHBondContact O-N 2.86Å; A437-L439 VanDerWaalsContact C-N 3.31Å; A437-L439 PolarHBondContact O-N 3.39Å; A437-K441 PolarHBondContact O-N 3.16Å; A437-Y460 HydrophobicContact CB-CD2 4.44Å; A437-Y460 HydrophobicContact CB-CE2 4.42Å; A437-T524 HydrophobicContact CB-CG2 4.15Å; A437-F525 HydrophobicContact CB-CD1 3.57Å; A437-F525 HydrophobicContact CB-CE1 3.74Å; A437-A528 HydrophobicContact CB-CB 4.21Å
438E92.1Very high94.4Very high85 Ų8546.7 Ų46.740%0.39726%0.26SS..Hα-helixtrans-66.3-33.4177.2-66.7-170.8159.800112.9H434 A435 K441 Y460H434-E438 PolarHBondContact O-N 3Å; H434-E438 VanDerWaalsContact O-N 3.1Å; A435-E438 PolarHBondContact O-N 2.88Å; E438-K441 WeakPolarHBondContact O-CG 3.35Å; E438-Y460 HydrophobicContact CG-CE1 3.84Å; E438-Y460 PolarHBondContact OE1-OH 2.89Å
439L92.7Very high94.4Very high82 Ų8245.3 Ų45.343%0.42925%0.253SS..Hα-helixtrans-77.2-44.6178.4-176.963000112.5E351 K352 A435 A436 A437E351-L439 HydrophobicContact CB-CD2 3.84Å; K352-L439 HydrophobicContact CD-CD2 4.35Å; K352-L439 VanDerWaalsContact CE-CD2 3.46Å; K352-L439 HydrophobicContact CG-CD2 3.89Å; A435-L439 WeakPolarHBondContact O-CB 3.48Å; A435-L439 PolarHBondContact O-N 3.39Å; A436-L439 PolarHBondContact O-N 2.88Å; A437-L439 VanDerWaalsContact C-N 3.31Å; A437-L439 PolarHBondContact O-N 3.39Å
440I92.4Very high94.1Very high47 Ų4751.4 Ų51.424%0.24129%0.285CS..Hα-helixtrans-71-37.6-177.5-70.6166.5000110.6V377 A436 E442 V443V377-I440 HydrophobicContact CB-CD1 3.84Å; V377-I440 HydrophobicContact CG1-CD1 3.7Å; A436-I440 HydrophobicContact CB-CD1 4.4Å; A436-I440 VanDerWaalsContact O-CB 3.25Å; A436-I440 WeakPolarHBondContact O-CB 3.44Å; A436-I440 WeakPolarHBondContact O-CD1 3.36Å; A436-I440 VanDerWaalsContact O-CG1 3.22Å; A436-I440 WeakPolarHBondContact O-CG1 3.38Å; A436-I440 PolarHBondContact O-N 2.71Å; I440-E442 VanDerWaalsContact CG2-O 3.29Å; I440-E442 WeakPolarHBondContact CG2-O 3.32Å; I440-E442 PolarHBondContact O-N 2.79Å; I440-V443 HydrophobicContact CG2-CG2 4.04Å
441K92.8Very high93.8Very high122 Ų12252 Ų5253%0.5330%0.303SS..  trans59.6-35.2180-63.9-173.4176179.30116.7A437 E438 H459 Y460A437-K441 PolarHBondContact O-N 3.16Å; E438-K441 WeakPolarHBondContact O-CG 3.35Å; K441-H459 CarbonylContact O-C 3.51Å; K441-H459 WeakPolarHBondContact O-CA 3.32Å; K441-Y460 VanDerWaalsContact O-CB 3.3Å; K441-Y460 WeakPolarHBondContact O-CB 3.18Å; K441-Y460 PolarHBondContact O-N 3.4Å
442E94.4Very high93.7Very high108 Ų10851.8 Ų51.851%0.50530%0.302SS..EExtended strand (participates in β ladder)trans-146.6143.9-178.263177.8-158.500112.4I440 T457 I458 H459I440-E442 VanDerWaalsContact CG2-O 3.29Å; I440-E442 WeakPolarHBondContact CG2-O 3.32Å; I440-E442 PolarHBondContact O-N 2.79Å; E442-T457 HydrophobicContact CB-CG2 4.47Å; E442-I458 CarbonylContact C-O 3.59Å; E442-I458 VanDerWaalsContact CA-O 3.3Å; E442-I458 WeakPolarHBondContact CA-O 3.47Å; E442-H459 HydrophobicContact CB-CB 4.34Å; E442-H459 IonicContact OE2-CD2 3.97Å
443V94.4Very high93.6Very high29 Ų2958.6 Ų58.618%0.17633%0.33CS..EExtended strand (participates in β ladder)trans-127.3128.2171.4177.50000107.5I440 T457 I458 I518 V521 F525I440-V443 HydrophobicContact CG2-CG2 4.04Å; V443-T457 WeakPolarHBondContact O-CA 3.42Å; V443-I458 PolarHBondContact N-O 3.46Å; V443-I458 PolarHBondContact O-N 2.85Å; V443-I518 HydrophobicContact CG1-CD1 4.19Å; V443-V521 HydrophobicContact CB-CG1 4.05Å; V443-V521 HydrophobicContact CG2-CG1 3.73Å; V443-V521 HydrophobicContact CG2-CG2 4.46Å; V443-F525 HydrophobicContact CG2-CZ 4.18Å
444S94.1Very high93.6Very high58 Ų5858.3 Ų58.341%0.40633%0.328SS..EExtended strand (participates in β ladder)trans-122.2142.7179.4-64.60000111.1L456 T457S444-L456 CarbonylContact C-O 3.59Å; S444-L456 VanDerWaalsContact CA-O 3.27Å; S444-L456 WeakPolarHBondContact CA-O 3.37Å; S444-T457 WeakPolarHBondContact OG-CB 3.45Å; S444-T457 WeakPolarHBondContact OG-CG2 3.03Å; S444-T457 PolarHBondContact OG-OG1 3.36Å
445L93.1Very high93.6Very high30 Ų3062.1 Ų62.116%0.15734%0.342CS..EExtended strand (participates in β ladder)trans-144.3149.9175.665.2159.3000111.5R455 L456 L511 I518L445-R455 CarbonylContact O-C 3.49Å; L445-R455 WeakPolarHBondContact O-CA 3.39Å; L445-L456 HydrophobicContact CD2-CB 3.96Å; L445-L456 HydrophobicContact CD2-CD2 3.98Å; L445-L456 HydrophobicContact CD2-CG 4.02Å; L445-L456 HydrophobicContact CG-CB 4.29Å; L445-L456 PolarHBondContact N-O 2.8Å; L445-L456 PolarHBondContact O-N 2.87Å; L445-L511 HydrophobicContact CD1-CB 4.41Å; L445-L511 HydrophobicContact CD1-CD1 3.8Å; L445-L511 HydrophobicContact CD1-CD2 3.65Å; L445-L511 HydrophobicContact CD1-CG 4.16Å; L445-I518 HydrophobicContact CD1-CD1 3.93Å; L445-I518 HydrophobicContact CD1-CG1 3.65Å; L445-I518 HydrophobicContact CD2-CD1 3.71Å; L445-I518 HydrophobicContact CD2-CG1 4.13Å; L445-I518 HydrophobicContact CG-CD1 4.35Å
446G93.6Very high93.7Very high44 Ų4459.6 Ų59.645%0.45432%0.321SS..EExtended strand (participates in β ladder)trans-82.7140.6169.800000110.9
447C94.8Very high93.7Very high1 Ų160.5 Ų60.51%0.00733%0.326CS..EExtended strand (participates in β ladder)trans-156.8165.5-179.253.20000111V454 M509 D510 L511C447-V454 PolarHBondContact N-O 3.34Å; C447-V454 PolarHBondContact O-N 2.92Å; C447-V454 PolarHBondContact SG-O 3.15Å; C447-M509 WeakPolarHBondContact SG-CE 3.5Å; C447-D510 CarbonylContact C-O 3.5Å; C447-D510 WeakPolarHBondContact CA-O 3.38Å; C447-D510 WeakPolarHBondContact CB-O 3.26Å; C447-L511 HydrophobicContact CB-CD2 3.47Å; C447-L511 VanDerWaalsContact CB-CD2 3.47Å
448M96Very high93.8Very high72 Ų7260.6 Ų60.636%0.35533%0.327SS..EExtended strand (participates in β ladder)trans-98.3133.3170.4-63.4-168.2-67.500111.3Q452 M509 D510M448-Q452 WeakPolarHBondContact CA-O 3.43Å; M448-M509 WeakPolarHBondContact O-CA 3.39Å; M448-D510 HydrophobicContact CB-CB 4.24Å; M448-D510 HydrophobicContact CE-CB 4.26Å; M448-D510 PolarHBondContact N-O 3.24Å; M448-D510 PolarHBondContact O-N 3.27Å
449L94.5Very high94Very high7 Ų758.2 Ų58.24%0.03732%0.315CS..EExtended strand (participates in β ladder)trans-125.9121.7170.2178.264.6000108.1G451 Q452 V454 I466 Y478 L507 T508 M509L449-G451 PolarHBondContact O-N 3.3Å; L449-Q452 PolarHBondContact N-O 2.75Å; L449-Q452 PolarHBondContact O-N 3.35Å; L449-V454 HydrophobicContact CB-CG1 4.33Å; L449-V454 HydrophobicContact CB-CG2 3.69Å; L449-I466 HydrophobicContact CD2-CD1 4.33Å; L449-I466 HydrophobicContact CD2-CG2 4.18Å; L449-Y478 HydrophobicContact CD2-CD2 4.29Å; L449-Y478 HydrophobicContact CD2-CE2 3.88Å; L449-L507 HydrophobicContact CD1-CB 4.36Å; L449-T508 WeakPolarHBondContact CD1-O 3.41Å; L449-M509 HydrophobicContact CD1-CG 4.3Å
450N90.6Very high94Very high132 Ų13254.6 Ų54.671%0.70630%0.296SS*.THydrogen-bonded Turntrans51.139.2-178.6-59.8-18.5000113.6Q452N450-Q452 VanDerWaalsContact C-N 3.28Å; N450-Q452 PolarHBondContact O-N 2.91Å
451G89.7Confident94Very high70 Ų7056.1 Ų56.172%0.72230%0.302SS*.THydrogen-bonded Turntrans75.59.2-179.100000115.1L449L449-G451 PolarHBondContact O-N 3.3Å
452Q91.7Very high93.9Very high95 Ų9555 Ų5544%0.44430%0.302SS..EExtended strand (participates in β ladder)trans-114.5138.3178-62.3-172.8-4000110.9M448 L449 N450 V454M448-Q452 WeakPolarHBondContact CA-O 3.43Å; L449-Q452 PolarHBondContact N-O 2.75Å; L449-Q452 PolarHBondContact O-N 3.35Å; N450-Q452 VanDerWaalsContact C-N 3.28Å; N450-Q452 PolarHBondContact O-N 2.91Å; Q452-V454 PolarHBondContact O-N 2.95Å
453E94.6Very high93.9Very high156 Ų15649.9 Ų49.973%0.72928%0.278SS*.EExtended strand (participates in β ladder)trans-71.1124.8175.1-168.7174.2-166.700110.1
454V95.6Very high94Very high5 Ų548.5 Ų48.53%0.0327%0.27CS..EExtended strand (participates in β ladder)trans-137.1157-179.5-58.90000109.8C447 L449 Q452 I466 S467 L477 M509C447-V454 PolarHBondContact N-O 3.34Å; C447-V454 PolarHBondContact O-N 2.92Å; C447-V454 PolarHBondContact SG-O 3.15Å; L449-V454 HydrophobicContact CB-CG1 4.33Å; L449-V454 HydrophobicContact CB-CG2 3.69Å; Q452-V454 PolarHBondContact O-N 2.95Å; V454-I466 HydrophobicContact CB-CG2 3.91Å; V454-I466 HydrophobicContact CG1-CG2 4.34Å; V454-I466 HydrophobicContact CG2-CG2 3.87Å; V454-S467 CarbonylContact C-O 3.51Å; V454-S467 VanDerWaalsContact CA-O 3.3Å; V454-S467 WeakPolarHBondContact CA-O 3.49Å; V454-S467 WeakPolarHBondContact CB-O 3.41Å; V454-L477 HydrophobicContact CG1-CD1 3.65Å; V454-M509 HydrophobicContact CG2-CE 4.5Å
455R95.6Very high94.1Very high109 Ų10946.6 Ų46.641%0.41126%0.256SS..EExtended strand (participates in β ladder)trans-103.9118170.5-178.9174.1-65.7158.112.9109.2L445 I466 S467 E469L445-R455 CarbonylContact O-C 3.49Å; L445-R455 WeakPolarHBondContact O-CA 3.39Å; R455-I466 WeakPolarHBondContact O-CA 3.35Å; R455-S467 PolarHBondContact N-O 2.84Å; R455-S467 PolarHBondContact O-N 2.78Å; R455-S467 PolarHBondContact O-OG 3.31Å; R455-E469 IonicContact CZ-OE2 3.64Å; R455-E469 IonicContact NH1-OE2 3.49Å; R455-E469 IonicContact NH2-OE2 2.8Å; R455-E469 PolarHBondContact NH2-OE2 2.91Å
456L95.4Very high94.2Very high0 Ų045.2 Ų45.20%025%0.249CC..EExtended strand (participates in β ladder)trans-85.1125.4166.6176.158.5000108.6S444 L445 I458 F464 I466 L496 M509S444-L456 CarbonylContact C-O 3.59Å; S444-L456 VanDerWaalsContact CA-O 3.27Å; S444-L456 WeakPolarHBondContact CA-O 3.37Å; L445-L456 HydrophobicContact CD2-CB 3.96Å; L445-L456 HydrophobicContact CD2-CD2 3.98Å; L445-L456 HydrophobicContact CD2-CG 4.02Å; L445-L456 HydrophobicContact CG-CB 4.29Å; L445-L456 PolarHBondContact N-O 2.8Å; L445-L456 PolarHBondContact O-N 2.87Å; L456-I458 HydrophobicContact CD1-CG1 4.46Å; L456-I458 HydrophobicContact CG-CG1 4.29Å; L456-F464 HydrophobicContact CD1-CD1 4.45Å; L456-I466 HydrophobicContact CD1-CG1 4.04Å; L456-L496 HydrophobicContact CD2-CD2 3.89Å; L456-M509 HydrophobicContact CB-CE 3.64Å; L456-M509 HydrophobicContact CD1-CE 4.04Å; L456-M509 HydrophobicContact CD1-SD 4.43Å; L456-M509 HydrophobicContact CD2-CE 3.82Å; L456-M509 HydrophobicContact CD2-SD 3.97Å; L456-M509 HydrophobicContact CG-CE 4.02Å
457T96.3Very high94.3Very high19 Ų1943.5 Ų43.512%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-119.8122.6172.5-61.80000108.7E442 V443 S444 F464 T465E442-T457 HydrophobicContact CB-CG2 4.47Å; V443-T457 WeakPolarHBondContact O-CA 3.42Å; S444-T457 WeakPolarHBondContact OG-CB 3.45Å; S444-T457 WeakPolarHBondContact OG-CG2 3.03Å; S444-T457 PolarHBondContact OG-OG1 3.36Å; T457-F464 CarbonylContact O-C 3.56Å; T457-F464 WeakPolarHBondContact O-CA 3.26Å; T457-T465 PolarHBondContact N-O 3.03Å; T457-T465 PolarHBondContact O-N 3.37Å
458I95.8Very high94.2Very high1 Ų146.3 Ų46.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-105.2113.8172.3-51.5177.8000106.5E442 V443 L456 F464 F482 I518 F525E442-I458 CarbonylContact C-O 3.59Å; E442-I458 VanDerWaalsContact CA-O 3.3Å; E442-I458 WeakPolarHBondContact CA-O 3.47Å; V443-I458 PolarHBondContact N-O 3.46Å; V443-I458 PolarHBondContact O-N 2.85Å; L456-I458 HydrophobicContact CD1-CG1 4.46Å; L456-I458 HydrophobicContact CG-CG1 4.29Å; I458-F464 HydrophobicContact CD1-CE1 4.19Å; I458-F464 HydrophobicContact CG1-CD1 4.05Å; I458-F464 HydrophobicContact CG1-CE1 4.07Å; I458-F464 HydrophobicContact CG2-CE1 4.18Å; I458-F482 HydrophobicContact CG2-CE1 4.48Å; I458-F482 HydrophobicContact CG2-CZ 4.01Å; I458-I518 HydrophobicContact CD1-CG2 3.65Å; I458-F525 HydrophobicContact CG2-CD2 3.88Å; I458-F525 HydrophobicContact CG2-CE2 4.19Å; I458-F525 WeakPolarHBondContact O-CE2 3.34Å
459H95.6Very high93.8Very high35 Ų3548.4 Ų48.416%0.16225%0.249CC..EExtended strand (participates in β ladder)trans-111.1132180-176.4-63.5000109.7K441 E442 E461 N462 G463 F482K441-H459 CarbonylContact O-C 3.51Å; K441-H459 WeakPolarHBondContact O-CA 3.32Å; E442-H459 HydrophobicContact CB-CB 4.34Å; E442-H459 IonicContact OE2-CD2 3.97Å; H459-E461 VanDerWaalsContact C-N 3.3Å; H459-E461 PolarHBondContact ND1-N 3.47Å; H459-E461 PolarHBondContact O-N 3.33Å; H459-N462 HydrophobicContact CB-CB 4.09Å; H459-N462 PolarHBondContact CE1-ND2 3.43Å; H459-N462 PolarHBondContact ND1-N 3.2Å; H459-N462 VanDerWaalsContact ND1-N 3.17Å; H459-N462 PolarHBondContact O-N 2.97Å; H459-G463 PolarHBondContact N-O 2.74Å; H459-G463 WeakPolarHBondContact O-CA 3.49Å; H459-G463 PolarHBondContact O-N 3.03Å; H459-F482 VanDerWaalsContact O-CE2 3.29Å; H459-F482 WeakPolarHBondContact O-CE2 3.29Å
460Y93.8Very high93Very high6 Ų652.9 Ų52.92%0.02427%0.273CS..THydrogen-bonded Turntrans-49.7-44.3-174.8-178.7-117.4000113.6A437 E438 K441 F482 F525 A528 K529A437-Y460 HydrophobicContact CB-CD2 4.44Å; A437-Y460 HydrophobicContact CB-CE2 4.42Å; E438-Y460 HydrophobicContact CG-CE1 3.84Å; E438-Y460 PolarHBondContact OE1-OH 2.89Å; K441-Y460 VanDerWaalsContact O-CB 3.3Å; K441-Y460 WeakPolarHBondContact O-CB 3.18Å; K441-Y460 PolarHBondContact O-N 3.4Å; Y460-F482 WeakPolarHBondContact O-CE2 3.41Å; Y460-F525 HydrophobicContact CD2-CB 4.08Å; Y460-F525 HydrophobicContact CD2-CD1 4.19Å; Y460-F525 HydrophobicContact CD2-CD2 4.4Å; Y460-F525 AromaticContact CD2-CG 3.99Å; Y460-F525 HydrophobicContact CD2-CG 3.99Å; Y460-F525 WeakPolarHBondContact CE2-O 3.22Å; Y460-A528 HydrophobicContact CE2-CB 3.85Å; Y460-K529 HydrophobicContact CE2-CB 4.25Å; Y460-K529 PolarHBondContact OH-N 3.36Å
461E91.4Very high91.9Very high79 Ų7951.1 Ų51.137%0.36929%0.286SS..THydrogen-bonded Turntrans-91-52174.5-58.1-65.2178.300114H459 G463 R532H459-E461 VanDerWaalsContact C-N 3.3Å; H459-E461 PolarHBondContact ND1-N 3.47Å; H459-E461 PolarHBondContact O-N 3.33Å; E461-G463 VanDerWaalsContact C-N 3.28Å; E461-G463 PolarHBondContact O-N 3.34Å; E461-R532 VanDerWaalsContact CD-NH2 3.27Å; E461-R532 IonicContact OE1-CZ 3.7Å; E461-R532 IonicContact OE1-NH1 3.53Å; E461-R532 PolarHBondContact OE1-NH1 3.45Å; E461-R532 IonicContact OE1-NH2 3.44Å; E461-R532 PolarHBondContact OE1-NH2 3.23Å; E461-R532 IonicContact OE2-CZ 3.83Å; E461-R532 IonicContact OE2-NH2 2.85Å; E461-R532 PolarHBondContact OE2-NH2 3.38Å
462N92Very high91.2Very high99 Ų9951.4 Ų51.453%0.52929%0.288SS..THydrogen-bonded Turntrans-79.4-5.9-166.8-59.3-36.7000114.5H459H459-N462 HydrophobicContact CB-CB 4.09Å; H459-N462 PolarHBondContact CE1-ND2 3.43Å; H459-N462 PolarHBondContact ND1-N 3.2Å; H459-N462 VanDerWaalsContact ND1-N 3.17Å; H459-N462 PolarHBondContact O-N 2.97Å
463G94.3Very high90.5Very high0 Ų050.4 Ų50.40%029%0.292CS..EExtended strand (participates in β ladder)trans77.1-134.7-178.600000112.5H459 E461 Y480H459-G463 PolarHBondContact N-O 2.74Å; H459-G463 WeakPolarHBondContact O-CA 3.49Å; H459-G463 PolarHBondContact O-N 3.03Å; E461-G463 VanDerWaalsContact C-N 3.28Å; E461-G463 PolarHBondContact O-N 3.34Å; G463-Y480 CarbonylContact C-O 3.55Å
464F96.2Very high90.1Very high1 Ų146.7 Ų46.70%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-101.1132.1-170.1-55.8-94000110.4L456 T457 I458 R479 Y480 F482 L485 L498 F500 L522L456-F464 HydrophobicContact CD1-CD1 4.45Å; T457-F464 CarbonylContact O-C 3.56Å; T457-F464 WeakPolarHBondContact O-CA 3.26Å; I458-F464 HydrophobicContact CD1-CE1 4.19Å; I458-F464 HydrophobicContact CG1-CD1 4.05Å; I458-F464 HydrophobicContact CG1-CE1 4.07Å; I458-F464 HydrophobicContact CG2-CE1 4.18Å; F464-R479 CarbonylContact O-C 3.43Å; F464-R479 VanDerWaalsContact O-CA 3.28Å; F464-R479 WeakPolarHBondContact O-CA 3.4Å; F464-Y480 PolarHBondContact N-O 3.22Å; F464-Y480 PolarHBondContact O-N 2.79Å; F464-F482 AromaticContact CE2-CD1 3.63Å; F464-F482 HydrophobicContact CE2-CD1 3.63Å; F464-F482 AromaticContact CE2-CE1 3.82Å; F464-F482 HydrophobicContact CE2-CE1 3.82Å; F464-F482 HydrophobicContact CE2-CG 4.28Å; F464-F482 AromaticContact CZ-CD1 3.93Å; F464-F482 HydrophobicContact CZ-CD1 3.93Å; F464-F482 AromaticContact CZ-CE1 3.72Å; F464-F482 HydrophobicContact CZ-CE1 3.72Å; F464-L485 HydrophobicContact CE2-CB 4.33Å; F464-L485 HydrophobicContact CE2-CD2 4.25Å; F464-L485 HydrophobicContact CZ-CD2 3.9Å; F464-L498 HydrophobicContact CD1-CD1 4.29Å; F464-L498 HydrophobicContact CE1-CD1 4.4Å; F464-F500 HydrophobicContact CB-CE1 4.37Å; F464-F500 HydrophobicContact CB-CZ 4Å; F464-F500 HydrophobicContact CD1-CZ 4.03Å; F464-F500 AromaticContact CD2-CE1 3.48Å; F464-F500 HydrophobicContact CD2-CE1 3.48Å; F464-F500 VanDerWaalsContact CD2-CE1 3.48Å; F464-F500 AromaticContact CD2-CZ 3.78Å; F464-F500 HydrophobicContact CD2-CZ 3.78Å; F464-F500 AromaticContact CE2-CE1 3.89Å; F464-F500 HydrophobicContact CE2-CE1 3.89Å; F464-F500 HydrophobicContact CE2-CZ 4.32Å; F464-F500 AromaticContact CG-CE1 3.87Å; F464-F500 HydrophobicContact CG-CE1 3.87Å; F464-F500 AromaticContact CG-CZ 3.65Å; F464-F500 HydrophobicContact CG-CZ 3.65Å; F464-L522 HydrophobicContact CE1-CD1 3.53Å; F464-L522 HydrophobicContact CZ-CD1 3.44Å; F464-L522 VanDerWaalsContact CZ-CD1 3.44Å; F464-L522 HydrophobicContact CZ-CG 4.37Å
465T96.2Very high89.9Confident18 Ų1848.9 Ų48.911%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-127.2126.4168.3-62.60000108.4T457 I476 Y478 R479T457-T465 PolarHBondContact N-O 3.03Å; T457-T465 PolarHBondContact O-N 3.37Å; T465-I476 HydrophobicContact CG2-CD1 4.48Å; T465-I476 HydrophobicContact CG2-CG1 4.09Å; T465-I476 HydrophobicContact CG2-CG2 4Å; T465-Y478 WeakPolarHBondContact CA-O 3.29Å; T465-R479 PolarHBondContact OG1-NE 3.45Å
466I95.6Very high89.8Confident1 Ų147.8 Ų47.81%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-108.1120.7171.9-57.2172.8000106.3L449 V454 R455 L456 L477 Y478 L507 M509L449-I466 HydrophobicContact CD2-CD1 4.33Å; L449-I466 HydrophobicContact CD2-CG2 4.18Å; V454-I466 HydrophobicContact CB-CG2 3.91Å; V454-I466 HydrophobicContact CG1-CG2 4.34Å; V454-I466 HydrophobicContact CG2-CG2 3.87Å; R455-I466 WeakPolarHBondContact O-CA 3.35Å; L456-I466 HydrophobicContact CD1-CG1 4.04Å; I466-L477 HydrophobicContact CG2-CD1 4.33Å; I466-L477 PolarHBondContact O-N 2.96Å; I466-Y478 HydrophobicContact CB-CD2 4.09Å; I466-Y478 HydrophobicContact CD1-CD2 3.99Å; I466-Y478 HydrophobicContact CG2-CD2 4.27Å; I466-Y478 PolarHBondContact N-O 3.46Å; I466-Y478 PolarHBondContact O-N 3.32Å; I466-Y478 VanDerWaalsContact O-N 3.17Å; I466-L507 HydrophobicContact CD1-CD1 3.7Å; I466-M509 HydrophobicContact CD1-CE 4.15Å; I466-M509 HydrophobicContact CD1-SD 4.37Å; I466-M509 HydrophobicContact CG1-CE 4.3Å
467S95.4Very high89.7Confident8 Ų850.5 Ų50.56%0.05631%0.314CS..EExtended strand (participates in β ladder)trans-126.5154.3-17757.30000111V454 R455 S475V454-S467 CarbonylContact C-O 3.51Å; V454-S467 VanDerWaalsContact CA-O 3.3Å; V454-S467 WeakPolarHBondContact CA-O 3.49Å; V454-S467 WeakPolarHBondContact CB-O 3.41Å; R455-S467 PolarHBondContact N-O 2.84Å; R455-S467 PolarHBondContact O-N 2.78Å; R455-S467 PolarHBondContact O-OG 3.31Å; S467-S475 CarbonylContact C-O 3.59Å; S467-S475 VanDerWaalsContact CA-O 3.27Å; S467-S475 WeakPolarHBondContact CA-O 3.25Å
468R93.2Very high89.5Confident60 Ų6051.9 Ų51.923%0.22632%0.318CS..EExtended strand (participates in β ladder)trans-115.8133.1172.1-177.5-179.1-56.2156.213.3108.6S474 S475 L477R468-S474 CarbonylContact O-C 3.59Å; R468-S474 WeakPolarHBondContact O-CA 3.43Å; R468-S475 PolarHBondContact N-O 3.35Å; R468-S475 PolarHBondContact O-N 3.03Å; R468-S475 PolarHBondContact O-OG 2.78Å; R468-L477 HydrophobicContact CB-CD1 4.17Å; R468-L477 HydrophobicContact CB-CD2 4.36Å; R468-L477 HydrophobicContact CB-CG 4.28Å
469E85.9Confident89.5Confident115 Ų11559.2 Ų59.254%0.53735%0.345SS..EExtended strand (participates in β ladder)trans-94113.6175-164.5162.4-171.400108.4R455R455-E469 IonicContact CZ-OE2 3.64Å; R455-E469 IonicContact NH1-OE2 3.49Å; R455-E469 IonicContact NH2-OE2 2.8Å; R455-E469 PolarHBondContact NH2-OE2 2.91Å
470N79.2Confident89.5Confident102 Ų10259.2 Ų59.255%0.54534%0.344SS..EExtended strand (participates in β ladder)trans-127.2113.3178.3-1089.3000109.1G472 S473N470-G472 VanDerWaalsContact C-N 3.32Å; N470-G472 PolarHBondContact O-N 2.79Å; N470-S473 PolarHBondContact N-O 3.4Å; N470-S473 PolarHBondContact O-N 3.45Å; N470-S473 VanDerWaalsContact O-O 3.13Å; N470-S473 PolarHBondContact O-OG 2.85Å
471G67.1Low89.5Confident94 Ų9461.7 Ų61.797%0.96936%0.361SS*.THydrogen-bonded Turntrans57.137.1171.500000115S473G471-S473 VanDerWaalsContact C-N 3.32Å; G471-S473 PolarHBondContact O-N 2.76Å
472G73.7Confident89.4Confident76 Ų7658.5 Ų58.578%0.78435%0.346SS*.THydrogen-bonded Turntrans83.6-1.5-178.300000115.2N470N470-G472 VanDerWaalsContact C-N 3.32Å; N470-G472 PolarHBondContact O-N 2.79Å
473S78.4Confident89.3Confident74 Ų7460.3 Ų60.352%0.51735%0.351SS..EExtended strand (participates in β ladder)trans-108.9133.1171.673.60000110.8N470 G471N470-S473 PolarHBondContact N-O 3.4Å; N470-S473 PolarHBondContact O-N 3.45Å; N470-S473 VanDerWaalsContact O-O 3.13Å; N470-S473 PolarHBondContact O-OG 2.85Å; G471-S473 VanDerWaalsContact C-N 3.32Å; G471-S473 PolarHBondContact O-N 2.76Å
474S84.8Confident89.3Confident78 Ų7867.5 Ų67.555%0.54538%0.379SS..EExtended strand (participates in β ladder)trans-96.6110.6176.7172.60000109.9R468R468-S474 CarbonylContact O-C 3.59Å; R468-S474 WeakPolarHBondContact O-CA 3.43Å
475S92.1Very high89.1Confident51 Ų5169 Ų6936%0.35739%0.386SS..EExtended strand (participates in β ladder)trans-92.6127173.761.80000110.5S467 R468S467-S475 CarbonylContact C-O 3.59Å; S467-S475 VanDerWaalsContact CA-O 3.27Å; S467-S475 WeakPolarHBondContact CA-O 3.25Å; R468-S475 PolarHBondContact N-O 3.35Å; R468-S475 PolarHBondContact O-N 3.03Å; R468-S475 PolarHBondContact O-OG 2.78Å
476I94.2Very high88.9Confident87 Ų8775.4 Ų75.445%0.44641%0.413SS..EExtended strand (participates in β ladder)trans-77.6123.5174.5-63.1165.6000108.6T465 R479T465-I476 HydrophobicContact CG2-CD1 4.48Å; T465-I476 HydrophobicContact CG2-CG1 4.09Å; T465-I476 HydrophobicContact CG2-CG2 4Å; I476-R479 HydrophobicContact CG2-CB 4.49Å
477L93Very high88.6Confident56 Ų5679.2 Ų79.229%0.29343%0.431SS..EExtended strand (participates in β ladder)trans-88.3-48.8174.9-57.6179.5000110.6V454 I466 R468V454-L477 HydrophobicContact CG1-CD1 3.65Å; I466-L477 HydrophobicContact CG2-CD1 4.33Å; I466-L477 PolarHBondContact O-N 2.96Å; R468-L477 HydrophobicContact CB-CD1 4.17Å; R468-L477 HydrophobicContact CB-CD2 4.36Å; R468-L477 HydrophobicContact CB-CG 4.28Å
478Y92.8Very high88.5Confident49 Ų4980.9 Ų80.919%0.19244%0.443CS..EExtended strand (participates in β ladder)trans-139.3146.4-176.1-54.6-74.8000111L449 T465 I466 Y480 E504L449-Y478 HydrophobicContact CD2-CD2 4.29Å; L449-Y478 HydrophobicContact CD2-CE2 3.88Å; T465-Y478 WeakPolarHBondContact CA-O 3.29Å; I466-Y478 HydrophobicContact CB-CD2 4.09Å; I466-Y478 HydrophobicContact CD1-CD2 3.99Å; I466-Y478 HydrophobicContact CG2-CD2 4.27Å; I466-Y478 PolarHBondContact N-O 3.46Å; I466-Y478 PolarHBondContact O-N 3.32Å; I466-Y478 VanDerWaalsContact O-N 3.17Å; Y478-Y480 HydrophobicContact CD1-CE2 4.32Å; Y478-Y480 HydrophobicContact CG-CE2 4.18Å; Y478-E504 HydrophobicContact CE1-CG 3.84Å; Y478-E504 PolarHBondContact OH-OE2 3.24Å
479R94.9Very high88.5Confident154 Ų15479.7 Ų79.758%0.58145%0.446SS*.EExtended strand (participates in β ladder)trans-140.4123.2171-178.1172.2-80165.4-7.2109.8F464 T465 I476F464-R479 CarbonylContact O-C 3.43Å; F464-R479 VanDerWaalsContact O-CA 3.28Å; F464-R479 WeakPolarHBondContact O-CA 3.4Å; T465-R479 PolarHBondContact OG1-NE 3.45Å; I476-R479 HydrophobicContact CG2-CB 4.49Å
480Y95.1Very high88.8Confident36 Ų3676.9 Ų76.914%0.14144%0.435CS..EExtended strand (participates in β ladder)trans-131.2130.2-179.8-61-73.6000110.2G463 F464 Y478 F500 L507G463-Y480 CarbonylContact C-O 3.55Å; F464-Y480 PolarHBondContact N-O 3.22Å; F464-Y480 PolarHBondContact O-N 2.79Å; Y478-Y480 HydrophobicContact CD1-CE2 4.32Å; Y478-Y480 HydrophobicContact CG-CE2 4.18Å; Y480-F500 VanDerWaalsContact CB-CD1 3.44Å; Y480-F500 HydrophobicContact CD1-CB 3.73Å; Y480-F500 HydrophobicContact CD1-CD1 4.22Å; Y480-F500 HydrophobicContact CD1-CD2 4.44Å; Y480-F500 AromaticContact CD1-CG 3.88Å; Y480-F500 HydrophobicContact CD1-CG 3.88Å; Y480-F500 HydrophobicContact CD2-CB 4.29Å; Y480-F500 HydrophobicContact CD2-CD1 4.06Å; Y480-F500 AromaticContact CD2-CD2 3.45Å; Y480-F500 HydrophobicContact CD2-CD2 3.45Å; Y480-F500 VanDerWaalsContact CD2-CD2 3.45Å; Y480-F500 HydrophobicContact CD2-CE1 4.25Å; Y480-F500 AromaticContact CD2-CE2 3.67Å; Y480-F500 HydrophobicContact CD2-CE2 3.67Å; Y480-F500 AromaticContact CD2-CG 3.66Å; Y480-F500 HydrophobicContact CD2-CG 3.66Å; Y480-F500 HydrophobicContact CD2-CZ 4.06Å; Y480-F500 HydrophobicContact CE1-CB 3.91Å; Y480-F500 HydrophobicContact CE1-CG 4.33Å; Y480-F500 HydrophobicContact CE2-CB 4.43Å; Y480-F500 AromaticContact CE2-CD2 3.69Å; Y480-F500 HydrophobicContact CE2-CD2 3.69Å; Y480-F500 HydrophobicContact CE2-CE2 4.16Å; Y480-F500 HydrophobicContact CE2-CG 4.11Å; Y480-F500 HydrophobicContact CG-CB 3.94Å; Y480-F500 AromaticContact CG-CD1 3.66Å; Y480-F500 HydrophobicContact CG-CD1 3.66Å; Y480-F500 AromaticContact CG-CD2 3.86Å; Y480-F500 HydrophobicContact CG-CD2 3.86Å; Y480-F500 HydrophobicContact CG-CE1 4.09Å; Y480-F500 HydrophobicContact CG-CE2 4.27Å; Y480-F500 AromaticContact CG-CG 3.53Å; Y480-F500 HydrophobicContact CG-CG 3.53Å; Y480-F500 HydrophobicContact CG-CZ 4.38Å; Y480-L507 HydrophobicContact CE2-CD1 4.2Å
481P93.3Very high89.4Confident58 Ų5874.6 Ų74.638%0.37742%0.422SS..  trans-73.8164170.936.8-39.1000110.4E483 R484P481-E483 WeakPolarHBondContact CB-OE2 3.48Å; P481-E483 PolarHBondContact O-N 2.8Å; P481-R484 HydrophobicContact CG-CB 4.31Å; P481-R484 HydrophobicContact CG-CG 3.73Å; P481-R484 PolarHBondContact O-N 3.42Å; P481-R484 VanDerWaalsContact O-N 3.13Å
482F90.9Very high90.3Very high11 Ų1171.1 Ų71.15%0.04839%0.387CS..G310 helixtrans-58.7-34-178.6-85-73.8000113.2I458 H459 Y460 F464 R484 L485 F525 L526I458-F482 HydrophobicContact CG2-CE1 4.48Å; I458-F482 HydrophobicContact CG2-CZ 4.01Å; H459-F482 VanDerWaalsContact O-CE2 3.29Å; H459-F482 WeakPolarHBondContact O-CE2 3.29Å; Y460-F482 WeakPolarHBondContact O-CE2 3.41Å; F464-F482 AromaticContact CE2-CD1 3.63Å; F464-F482 HydrophobicContact CE2-CD1 3.63Å; F464-F482 AromaticContact CE2-CE1 3.82Å; F464-F482 HydrophobicContact CE2-CE1 3.82Å; F464-F482 HydrophobicContact CE2-CG 4.28Å; F464-F482 AromaticContact CZ-CD1 3.93Å; F464-F482 HydrophobicContact CZ-CD1 3.93Å; F464-F482 AromaticContact CZ-CE1 3.72Å; F464-F482 HydrophobicContact CZ-CE1 3.72Å; F482-R484 PolarHBondContact O-N 3.03Å; F482-R484 VanDerWaalsContact O-N 3.15Å; F482-L485 WeakPolarHBondContact O-CB 3.34Å; F482-L485 PolarHBondContact O-N 3.29Å; F482-L485 VanDerWaalsContact O-N 3.07Å; F482-F525 HydrophobicContact CZ-CB 4.03Å; F482-F525 HydrophobicContact CZ-CD2 4.2Å; F482-L526 HydrophobicContact CB-CD2 4.14Å; F482-L526 HydrophobicContact CD1-CD2 3.4Å; F482-L526 HydrophobicContact CD1-CG 3.91Å; F482-L526 HydrophobicContact CE1-CD2 3.96Å; F482-L526 HydrophobicContact CE1-CG 3.98Å; F482-L526 HydrophobicContact CG-CD2 3.93Å
483E89.4Confident91Very high137 Ų13773.5 Ų73.564%0.6438%0.38SS*.G310 helixtrans-68.3-13.5-177.2-58.172.9-157.100112.6P481 K529P481-E483 WeakPolarHBondContact CB-OE2 3.48Å; P481-E483 PolarHBondContact O-N 2.8Å; E483-K529 IonicContact OE1-NZ 3.69Å; E483-K529 PolarHBondContact OE1-NZ 3.23Å
484R93.1Very high91.7Very high152 Ų15276.1 Ų76.157%0.57438%0.379SS*.G310 helixtrans-88.6-17174.4-73.3-73.1-172.4148.40.6113.2P481 F482 K486 F500P481-R484 HydrophobicContact CG-CB 4.31Å; P481-R484 HydrophobicContact CG-CG 3.73Å; P481-R484 PolarHBondContact O-N 3.42Å; P481-R484 VanDerWaalsContact O-N 3.13Å; F482-R484 PolarHBondContact O-N 3.03Å; F482-R484 VanDerWaalsContact O-N 3.15Å; R484-K486 PolarHBondContact O-N 2.71Å; R484-K486 VanDerWaalsContact O-N 3.13Å; R484-F500 HydrophobicContact CB-CB 4.49Å; R484-F500 HydrophobicContact CB-CD1 4.24Å; R484-F500 CarbonylContact O-C 3.5Å; R484-F500 WeakPolarHBondContact O-CA 3.49Å
485L92.4Very high92.1Very high31 Ų3173.7 Ų73.716%0.16236%0.36CS..  trans-70.3108.8-179.3-176.269.8000109.7F464 F482 M487 L498 F500 L522F464-L485 HydrophobicContact CE2-CB 4.33Å; F464-L485 HydrophobicContact CE2-CD2 4.25Å; F464-L485 HydrophobicContact CZ-CD2 3.9Å; F482-L485 WeakPolarHBondContact O-CB 3.34Å; F482-L485 PolarHBondContact O-N 3.29Å; F482-L485 VanDerWaalsContact O-N 3.07Å; L485-M487 WeakPolarHBondContact CD1-O 3.48Å; L485-L498 HydrophobicContact CD1-CB 4.32Å; L485-L498 HydrophobicContact CD1-CD2 3.97Å; L485-F500 HydrophobicContact CB-CD1 4.19Å; L485-F500 HydrophobicContact CB-CE1 3.99Å; L485-F500 HydrophobicContact CD1-CD1 4.12Å; L485-F500 HydrophobicContact CD1-CE1 3.64Å; L485-F500 HydrophobicContact CD1-CZ 3.96Å; L485-F500 HydrophobicContact CG-CE1 4.42Å; L485-L522 HydrophobicContact CD2-CD1 3.93Å; L485-L522 HydrophobicContact CD2-CD2 4.22Å
486K91.4Very high92.3Very high154 Ų15471.4 Ų71.467%0.6734%0.344SS*.  trans-88.1-40178.4-69.4-172176.9178.70111.9R484 D499R484-K486 PolarHBondContact O-N 2.71Å; R484-K486 VanDerWaalsContact O-N 3.13Å; K486-D499 PolarHBondContact N-O 2.97Å
487M90.3Very high92.4Very high81 Ų8169.9 Ų69.940%0.39933%0.333SS..EExtended strand (participates in β ladder)trans-145.5139.6-177.6-170-109.3-76.600110.2L485 A489 D499 E506L485-M487 WeakPolarHBondContact CD1-O 3.48Å; M487-A489 HydrophobicContact SD-CB 3.78Å; M487-D499 HydrophobicContact CB-CB 4.14Å; M487-D499 PolarHBondContact N-O 3.32Å; M487-D499 PolarHBondContact O-N 3.26Å; M487-E506 VanDerWaalsContact CE-OE2 3.31Å; M487-E506 WeakPolarHBondContact CE-OE2 3.4Å
488S93Very high92.5Very high42 Ų4267.3 Ų67.329%0.29432%0.319SS..EExtended strand (participates in β ladder)trans-129.7127.5167.860.50000108.5Y497S488-Y497 WeakPolarHBondContact CA-O 3.37Å
489A93.1Very high92.6Very high36 Ų3666.8 Ų66.830%0.29832%0.32SS..EExtended strand (participates in β ladder)trans-138.3164.7177.100000111M487 Y497M487-A489 HydrophobicContact SD-CB 3.78Å; A489-Y497 HydrophobicContact CB-CD2 4.31Å; A489-Y497 PolarHBondContact N-O 2.84Å; A489-Y497 PolarHBondContact O-N 2.93Å
490D93Very high92.6Very high55 Ų5559.8 Ų59.829%0.29429%0.293SS..EExtended strand (participates in β ladder)trans-144.9149.7177.477.892000111.5G492 N495 P515 V519D490-G492 VanDerWaalsContact C-N 3.27Å; D490-G492 WeakPolarHBondContact OD1-CA 3.44Å; D490-G492 PolarHBondContact OD1-N 3.12Å; D490-N495 WeakPolarHBondContact CA-O 3.49Å; D490-P515 HydrophobicContact CB-CB 4Å; D490-P515 HydrophobicContact CB-CG 3.56Å; D490-V519 HydrophobicContact CB-CG2 4.16Å
491D91.5Very high92.2Very high54 Ų5459.6 Ų59.629%0.28930%0.302SS..  trans-85.2-1.1175.668.6-0.5000113I493 R494 N495 Y497D491-I493 PolarHBondContact O-N 2.92Å; D491-I493 WeakPolarHBondContact OD1-CA 3.35Å; D491-I493 PolarHBondContact OD1-N 2.92Å; D491-R494 PolarHBondContact OD1-N 2.76Å; D491-N495 HydrophobicContact CB-CB 4.5Å; D491-N495 VanDerWaalsContact CG-N 3.33Å; D491-N495 PolarHBondContact N-O 3.21Å; D491-N495 PolarHBondContact OD1-N 2.72Å; D491-N495 WeakPolarHBondContact OD2-CB 3.48Å; D491-N495 PolarHBondContact OD2-N 3.1Å; D491-N495 PolarHBondContact OD2-ND2 3.04Å; D491-Y497 HydrophobicContact CB-CE2 4.16Å
492G86.4Confident91.7Very high22 Ų2258.1 Ų58.123%0.22730%0.298CS..SBendtrans70.5-0.5-174.800000115.3D490 C514D490-G492 VanDerWaalsContact C-N 3.27Å; D490-G492 WeakPolarHBondContact OD1-CA 3.44Å; D490-G492 PolarHBondContact OD1-N 3.12Å; G492-C514 PolarHBondContact O-SG 2.88Å; G492-C514 VanDerWaalsContact O-SG 3.37Å
493I88.6Confident91.4Very high126 Ų12663.9 Ų63.965%0.64634%0.336SS*.SBendtrans-116.8-62.6-171.9-58.8170.5000110.6D491 S513 C514D491-I493 PolarHBondContact O-N 2.92Å; D491-I493 WeakPolarHBondContact OD1-CA 3.35Å; D491-I493 PolarHBondContact OD1-N 2.92Å; I493-S513 CarbonylContact O-C 3.54Å; I493-C514 WeakPolarHBondContact O-CA 3.37Å; I493-C514 PolarHBondContact O-N 3.5Å
494R91.6Very high91.1Very high129 Ų12962 Ų6249%0.48733%0.327SS..SBendtrans-151.3-24.6-177.271.2179.7-175.1-175.3-0.4115.7D491 D510 L511 S513D491-R494 PolarHBondContact OD1-N 2.76Å; R494-D510 IonicContact CZ-OD2 2.76Å; R494-D510 IonicContact NE-OD2 3.8Å; R494-D510 IonicContact NH1-OD2 3.53Å; R494-L511 PolarHBondContact O-N 2.84Å; R494-S513 WeakPolarHBondContact CA-O 3.39Å
495N94.6Very high90.8Very high26 Ų2656.3 Ų56.314%0.13932%0.316CS..EExtended strand (participates in β ladder)trans-94.9131-172.8-61-58.8000111.5D490 D491 Y497 M509 P515D490-N495 WeakPolarHBondContact CA-O 3.49Å; D491-N495 HydrophobicContact CB-CB 4.5Å; D491-N495 VanDerWaalsContact CG-N 3.33Å; D491-N495 PolarHBondContact N-O 3.21Å; D491-N495 PolarHBondContact OD1-N 2.72Å; D491-N495 WeakPolarHBondContact OD2-CB 3.48Å; D491-N495 PolarHBondContact OD2-N 3.1Å; D491-N495 PolarHBondContact OD2-ND2 3.04Å; N495-Y497 HydrophobicContact CB-CE1 4.32Å; N495-Y497 HydrophobicContact CB-CE2 3.85Å; N495-Y497 WeakPolarHBondContact CB-OH 3.09Å; N495-M509 WeakPolarHBondContact CA-O 3.31Å; N495-P515 WeakPolarHBondContact O-CG 3.3Å
496L95.8Very high90.9Very high4 Ų459 Ų592%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-105.6131167.8178.170.7000108.9L456 L498 M509 L511 P515 I518 V519L456-L496 HydrophobicContact CD2-CD2 3.89Å; L496-L498 HydrophobicContact CD1-CD2 4.33Å; L496-L498 HydrophobicContact CD2-CD1 4.06Å; L496-L498 HydrophobicContact CD2-CD2 4.38Å; L496-L498 HydrophobicContact CD2-CG 4.18Å; L496-L498 HydrophobicContact CG-CD2 4.27Å; L496-L498 HydrophobicContact CG-CG 4.12Å; L496-M509 HydrophobicContact CB-CB 4.44Å; L496-M509 PolarHBondContact N-O 2.79Å; L496-M509 PolarHBondContact O-N 2.9Å; L496-L511 HydrophobicContact CB-CD1 3.98Å; L496-L511 HydrophobicContact CB-CD2 4.38Å; L496-L511 HydrophobicContact CB-CG 4.14Å; L496-L511 HydrophobicContact CD2-CD1 4.38Å; L496-P515 HydrophobicContact CB-CB 4.19Å; L496-I518 HydrophobicContact CD2-CG2 4.09Å; L496-V519 HydrophobicContact CD1-CG2 3.84Å
497Y95.7Very high91.1Very high55 Ų5552 Ų5222%0.21630%0.298CS..EExtended strand (participates in β ladder)trans-112123.9178.9-53.1-85.6000109.1S488 A489 D491 N495 E506 L507 T508S488-Y497 WeakPolarHBondContact CA-O 3.37Å; A489-Y497 HydrophobicContact CB-CD2 4.31Å; A489-Y497 PolarHBondContact N-O 2.84Å; A489-Y497 PolarHBondContact O-N 2.93Å; D491-Y497 HydrophobicContact CB-CE2 4.16Å; N495-Y497 HydrophobicContact CB-CE1 4.32Å; N495-Y497 HydrophobicContact CB-CE2 3.85Å; N495-Y497 WeakPolarHBondContact CB-OH 3.09Å; Y497-E506 HydrophobicContact CD1-CG 4.46Å; Y497-E506 WeakPolarHBondContact CD1-OE1 3.35Å; Y497-L507 WeakPolarHBondContact CA-O 3.27Å; Y497-T508 HydrophobicContact CD1-CG2 4.06Å; Y497-T508 HydrophobicContact CE1-CG2 3.66Å
498L95.5Very high91.3Very high1 Ų150.8 Ų50.81%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-129.3120.2178.1-60.1176000110.1F464 L485 L496 F500 L507 M509F464-L498 HydrophobicContact CD1-CD1 4.29Å; F464-L498 HydrophobicContact CE1-CD1 4.4Å; L485-L498 HydrophobicContact CD1-CB 4.32Å; L485-L498 HydrophobicContact CD1-CD2 3.97Å; L496-L498 HydrophobicContact CD1-CD2 4.33Å; L496-L498 HydrophobicContact CD2-CD1 4.06Å; L496-L498 HydrophobicContact CD2-CD2 4.38Å; L496-L498 HydrophobicContact CD2-CG 4.18Å; L496-L498 HydrophobicContact CG-CD2 4.27Å; L496-L498 HydrophobicContact CG-CG 4.12Å; L498-F500 HydrophobicContact CB-CD2 4.46Å; L498-F500 HydrophobicContact CB-CE2 3.68Å; L498-F500 HydrophobicContact CB-CZ 4.04Å; L498-F500 HydrophobicContact CD1-CE2 4.26Å; L498-F500 HydrophobicContact CD1-CZ 4.13Å; L498-L507 PolarHBondContact N-O 3.42Å; L498-L507 WeakPolarHBondContact O-CB 3.31Å; L498-L507 PolarHBondContact O-N 2.91Å; L498-M509 HydrophobicContact CD1-SD 4.02Å
499D94.9Very high91.4Very high39 Ų3948.8 Ų48.821%0.20928%0.281CS..EExtended strand (participates in β ladder)trans-109.4121173.8179.913.1000110.5K486 M487 G501K486-D499 PolarHBondContact N-O 2.97Å; M487-D499 HydrophobicContact CB-CB 4.14Å; M487-D499 PolarHBondContact N-O 3.32Å; M487-D499 PolarHBondContact O-N 3.26Å; D499-G501 WeakPolarHBondContact OD1-CA 3.25Å; D499-G501 PolarHBondContact OD1-N 2.92Å
500F94.3Very high91.6Very high6 Ų648 Ų483%0.02627%0.272CS..  trans-1044178-62.1-78000113.6F464 Y480 R484 L485 L498 G502 L507F464-F500 HydrophobicContact CB-CE1 4.37Å; F464-F500 HydrophobicContact CB-CZ 4Å; F464-F500 HydrophobicContact CD1-CZ 4.03Å; F464-F500 AromaticContact CD2-CE1 3.48Å; F464-F500 HydrophobicContact CD2-CE1 3.48Å; F464-F500 VanDerWaalsContact CD2-CE1 3.48Å; F464-F500 AromaticContact CD2-CZ 3.78Å; F464-F500 HydrophobicContact CD2-CZ 3.78Å; F464-F500 AromaticContact CE2-CE1 3.89Å; F464-F500 HydrophobicContact CE2-CE1 3.89Å; F464-F500 HydrophobicContact CE2-CZ 4.32Å; F464-F500 AromaticContact CG-CE1 3.87Å; F464-F500 HydrophobicContact CG-CE1 3.87Å; F464-F500 AromaticContact CG-CZ 3.65Å; F464-F500 HydrophobicContact CG-CZ 3.65Å; Y480-F500 VanDerWaalsContact CB-CD1 3.44Å; Y480-F500 HydrophobicContact CD1-CB 3.73Å; Y480-F500 HydrophobicContact CD1-CD1 4.22Å; Y480-F500 HydrophobicContact CD1-CD2 4.44Å; Y480-F500 AromaticContact CD1-CG 3.88Å; Y480-F500 HydrophobicContact CD1-CG 3.88Å; Y480-F500 HydrophobicContact CD2-CB 4.29Å; Y480-F500 HydrophobicContact CD2-CD1 4.06Å; Y480-F500 AromaticContact CD2-CD2 3.45Å; Y480-F500 HydrophobicContact CD2-CD2 3.45Å; Y480-F500 VanDerWaalsContact CD2-CD2 3.45Å; Y480-F500 HydrophobicContact CD2-CE1 4.25Å; Y480-F500 AromaticContact CD2-CE2 3.67Å; Y480-F500 HydrophobicContact CD2-CE2 3.67Å; Y480-F500 AromaticContact CD2-CG 3.66Å; Y480-F500 HydrophobicContact CD2-CG 3.66Å; Y480-F500 HydrophobicContact CD2-CZ 4.06Å; Y480-F500 HydrophobicContact CE1-CB 3.91Å; Y480-F500 HydrophobicContact CE1-CG 4.33Å; Y480-F500 HydrophobicContact CE2-CB 4.43Å; Y480-F500 AromaticContact CE2-CD2 3.69Å; Y480-F500 HydrophobicContact CE2-CD2 3.69Å; Y480-F500 HydrophobicContact CE2-CE2 4.16Å; Y480-F500 HydrophobicContact CE2-CG 4.11Å; Y480-F500 HydrophobicContact CG-CB 3.94Å; Y480-F500 AromaticContact CG-CD1 3.66Å; Y480-F500 HydrophobicContact CG-CD1 3.66Å; Y480-F500 AromaticContact CG-CD2 3.86Å; Y480-F500 HydrophobicContact CG-CD2 3.86Å; Y480-F500 HydrophobicContact CG-CE1 4.09Å; Y480-F500 HydrophobicContact CG-CE2 4.27Å; Y480-F500 AromaticContact CG-CG 3.53Å; Y480-F500 HydrophobicContact CG-CG 3.53Å; Y480-F500 HydrophobicContact CG-CZ 4.38Å; R484-F500 HydrophobicContact CB-CB 4.49Å; R484-F500 HydrophobicContact CB-CD1 4.24Å; R484-F500 CarbonylContact O-C 3.5Å; R484-F500 WeakPolarHBondContact O-CA 3.49Å; L485-F500 HydrophobicContact CB-CD1 4.19Å; L485-F500 HydrophobicContact CB-CE1 3.99Å; L485-F500 HydrophobicContact CD1-CD1 4.12Å; L485-F500 HydrophobicContact CD1-CE1 3.64Å; L485-F500 HydrophobicContact CD1-CZ 3.96Å; L485-F500 HydrophobicContact CG-CE1 4.42Å; L498-F500 HydrophobicContact CB-CD2 4.46Å; L498-F500 HydrophobicContact CB-CE2 3.68Å; L498-F500 HydrophobicContact CB-CZ 4.04Å; L498-F500 HydrophobicContact CD1-CE2 4.26Å; L498-F500 HydrophobicContact CD1-CZ 4.13Å; F500-G502 PolarHBondContact O-N 3.5Å; F500-L507 HydrophobicContact CD2-CD1 4.08Å; F500-L507 HydrophobicContact CE2-CD1 4.04Å
501G87.2Confident91.5Very high32 Ų3245.7 Ų45.733%0.3326%0.26SS..SBendtrans65.323.4-177.500000114.5D499D499-G501 WeakPolarHBondContact OD1-CA 3.25Å; D499-G501 PolarHBondContact OD1-N 2.92Å
502G82.9Confident91.5Very high27 Ų2748.8 Ų48.828%0.27827%0.272SS..SBendtrans-90.2177.6175.600000112.8F500 E504 G505F500-G502 PolarHBondContact O-N 3.5Å; G502-E504 PolarHBondContact O-N 3.42Å; G502-G505 PolarHBondContact O-N 3.44Å
503P83.8Confident91.6Very high133 Ų13350.5 Ų50.586%0.86428%0.281SS*.THydrogen-bonded Turntrans-64.1-20.9178.127.9-35.4000113.4G505P503-G505 PolarHBondContact O-N 3.3Å
504E83.6Confident91.7Very high96 Ų9645.9 Ų45.945%0.44926%0.259SS..THydrogen-bonded Turntrans-68-17.6177.4-47-63.7153.500113Y478 G502 L507Y478-E504 HydrophobicContact CE1-CG 3.84Å; Y478-E504 PolarHBondContact OH-OE2 3.24Å; G502-E504 PolarHBondContact O-N 3.42Å; E504-L507 HydrophobicContact CB-CD2 3.97Å
505G88.2Confident91.7Very high33 Ų3339.8 Ų39.834%0.3424%0.236SC..  trans67.8-148.6-171.900000112.9G502 P503G502-G505 PolarHBondContact O-N 3.44Å; P503-G505 PolarHBondContact O-N 3.3Å
506E94Very high91.5Very high89 Ų8941.7 Ų41.742%0.41624%0.243SC..EExtended strand (participates in β ladder)trans-74.2122.7176.6-177.5-177.977.400110.8M487 Y497M487-E506 VanDerWaalsContact CE-OE2 3.31Å; M487-E506 WeakPolarHBondContact CE-OE2 3.4Å; Y497-E506 HydrophobicContact CD1-CG 4.46Å; Y497-E506 WeakPolarHBondContact CD1-OE1 3.35Å
507L94.3Very high91.3Very high6 Ų642.5 Ų42.53%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-83.3117173.8-58.1-178.6000109.4L449 I466 Y480 Y497 L498 F500 E504L449-L507 HydrophobicContact CD1-CB 4.36Å; I466-L507 HydrophobicContact CD1-CD1 3.7Å; Y480-L507 HydrophobicContact CE2-CD1 4.2Å; Y497-L507 WeakPolarHBondContact CA-O 3.27Å; L498-L507 PolarHBondContact N-O 3.42Å; L498-L507 WeakPolarHBondContact O-CB 3.31Å; L498-L507 PolarHBondContact O-N 2.91Å; F500-L507 HydrophobicContact CD2-CD1 4.08Å; F500-L507 HydrophobicContact CE2-CD1 4.04Å; E504-L507 HydrophobicContact CB-CD2 3.97Å
508T95.9Very high91.1Very high55 Ų5540.9 Ų40.934%0.33724%0.244SC..EExtended strand (participates in β ladder)trans-96.6118.9173.5-59.50000110L449 Y497L449-T508 WeakPolarHBondContact CD1-O 3.41Å; Y497-T508 HydrophobicContact CD1-CG2 4.06Å; Y497-T508 HydrophobicContact CE1-CG2 3.66Å
509M95.6Very high90.9Very high0 Ų041.5 Ų41.50%025%0.248CC..EExtended strand (participates in β ladder)trans-119.5118.7-175-51.8-179.272.900110.2C447 M448 L449 V454 L456 I466 N495 L496 L498 L511C447-M509 WeakPolarHBondContact SG-CE 3.5Å; M448-M509 WeakPolarHBondContact O-CA 3.39Å; L449-M509 HydrophobicContact CD1-CG 4.3Å; V454-M509 HydrophobicContact CG2-CE 4.5Å; L456-M509 HydrophobicContact CB-CE 3.64Å; L456-M509 HydrophobicContact CD1-CE 4.04Å; L456-M509 HydrophobicContact CD1-SD 4.43Å; L456-M509 HydrophobicContact CD2-CE 3.82Å; L456-M509 HydrophobicContact CD2-SD 3.97Å; L456-M509 HydrophobicContact CG-CE 4.02Å; I466-M509 HydrophobicContact CD1-CE 4.15Å; I466-M509 HydrophobicContact CD1-SD 4.37Å; I466-M509 HydrophobicContact CG1-CE 4.3Å; N495-M509 WeakPolarHBondContact CA-O 3.31Å; L496-M509 HydrophobicContact CB-CB 4.44Å; L496-M509 PolarHBondContact N-O 2.79Å; L496-M509 PolarHBondContact O-N 2.9Å; L498-M509 HydrophobicContact CD1-SD 4.02Å; M509-L511 HydrophobicContact CB-CD2 4.19Å
510D95.4Very high90.9Very high20 Ų2040.4 Ų40.411%0.10724%0.241CC..EExtended strand (participates in β ladder)trans-85.5112.7174-171.7-17.1000109.4C447 M448 R494 H512C447-D510 CarbonylContact C-O 3.5Å; C447-D510 WeakPolarHBondContact CA-O 3.38Å; C447-D510 WeakPolarHBondContact CB-O 3.26Å; M448-D510 HydrophobicContact CB-CB 4.24Å; M448-D510 HydrophobicContact CE-CB 4.26Å; M448-D510 PolarHBondContact N-O 3.24Å; M448-D510 PolarHBondContact O-N 3.27Å; R494-D510 IonicContact CZ-OD2 2.76Å; R494-D510 IonicContact NE-OD2 3.8Å; R494-D510 IonicContact NH1-OD2 3.53Å; D510-H512 PolarHBondContact OD1-N 3.49Å
511L92.1Very high90.8Very high7 Ų740.3 Ų40.34%0.03724%0.241CC..  trans-90-0-176.9-53.4-169.3000113.4L445 C447 R494 L496 M509 S513 P515 I518L445-L511 HydrophobicContact CD1-CB 4.41Å; L445-L511 HydrophobicContact CD1-CD1 3.8Å; L445-L511 HydrophobicContact CD1-CD2 3.65Å; L445-L511 HydrophobicContact CD1-CG 4.16Å; C447-L511 HydrophobicContact CB-CD2 3.47Å; C447-L511 VanDerWaalsContact CB-CD2 3.47Å; R494-L511 PolarHBondContact O-N 2.84Å; L496-L511 HydrophobicContact CB-CD1 3.98Å; L496-L511 HydrophobicContact CB-CD2 4.38Å; L496-L511 HydrophobicContact CB-CG 4.14Å; L496-L511 HydrophobicContact CD2-CD1 4.38Å; M509-L511 HydrophobicContact CB-CD2 4.19Å; L511-S513 PolarHBondContact O-N 3.34Å; L511-S513 PolarHBondContact O-OG 3.32Å; L511-P515 HydrophobicContact CD1-CB 3.73Å; L511-I518 HydrophobicContact CD1-CG1 4.21Å
512H90.4Very high91.1Very high118 Ų11839.1 Ų39.155%0.54623%0.227SC..SBendtrans569.4-173.8-4694.8000114.7D510D510-H512 PolarHBondContact OD1-N 3.49Å
513S90.1Very high91.5Very high59 Ų5941 Ų4141%0.41323%0.229SC..SBendtrans-160.1164.2-17360.10000109.5I493 R494 L511 P515I493-S513 CarbonylContact O-C 3.54Å; R494-S513 WeakPolarHBondContact CA-O 3.39Å; L511-S513 PolarHBondContact O-N 3.34Å; L511-S513 PolarHBondContact O-OG 3.32Å; S513-P515 WeakPolarHBondContact O-CD 3.43Å
514C90.1Very high92Very high29 Ų2935.1 Ų35.120%0.19619%0.19CC..  trans-54.1124.5-179-171.50000110.6G492 I493 K516 P517G492-C514 PolarHBondContact O-SG 2.88Å; G492-C514 VanDerWaalsContact O-SG 3.37Å; I493-C514 WeakPolarHBondContact O-CA 3.37Å; I493-C514 PolarHBondContact O-N 3.5Å; C514-K516 VanDerWaalsContact C-N 3.3Å; C514-K516 PolarHBondContact O-N 2.88Å; C514-P517 WeakPolarHBondContact O-CD 3.49Å
515P91.8Very high92.6Very high0 Ų030.5 Ų30.50%017%0.168CC..SBendtrans-75.9-16-176.128.6-38000114.7D490 N495 L496 L511 S513 P517 I518 V519D490-P515 HydrophobicContact CB-CB 4Å; D490-P515 HydrophobicContact CB-CG 3.56Å; N495-P515 WeakPolarHBondContact O-CG 3.3Å; L496-P515 HydrophobicContact CB-CB 4.19Å; L511-P515 HydrophobicContact CD1-CB 3.73Å; S513-P515 WeakPolarHBondContact O-CD 3.43Å; P515-P517 VanDerWaalsContact C-CD 3.47Å; P515-I518 WeakPolarHBondContact O-CB 3.5Å; P515-I518 PolarHBondContact O-N 3.4Å; P515-V519 PolarHBondContact O-N 3.3Å; P515-V519 VanDerWaalsContact O-N 3.13Å
516K90.6Very high92.7Very high66 Ų6631.6 Ų31.629%0.28717%0.166SC..Hα-helixtrans-54.4-41-176-83.3154.6162.51750116I409 C514 I518 V519 F520I409-K516 HydrophobicContact CD1-CB 3.52Å; I409-K516 HydrophobicContact CD1-CD 3.39Å; I409-K516 HydrophobicContact CD1-CG 3.62Å; I409-K516 HydrophobicContact CG1-CB 3.56Å; I409-K516 HydrophobicContact CG1-CD 3.9Å; I409-K516 HydrophobicContact CG1-CG 4.15Å; C514-K516 VanDerWaalsContact C-N 3.3Å; C514-K516 PolarHBondContact O-N 2.88Å; K516-I518 VanDerWaalsContact C-N 3.26Å; K516-I518 PolarHBondContact O-N 3.49Å; K516-V519 PolarHBondContact O-N 2.94Å; K516-F520 WeakPolarHBondContact O-CD1 3.46Å; K516-F520 WeakPolarHBondContact O-CG 3.36Å; K516-F520 PolarHBondContact O-N 2.74Å
517P91.1Very high92.6Very high21 Ų2129.5 Ų29.514%0.13616%0.161CC..Hα-helixtrans-57.8-38.3174.4-24.836.3000112.6C514 P515 F520 V521C514-P517 WeakPolarHBondContact O-CD 3.49Å; P515-P517 VanDerWaalsContact C-CD 3.47Å; P517-F520 WeakPolarHBondContact O-CB 3.37Å; P517-F520 PolarHBondContact O-N 3.49Å; P517-V521 WeakPolarHBondContact O-CG2 3.44Å; P517-V521 PolarHBondContact O-N 2.96Å
518I92.1Very high92.5Very high22 Ų2229.3 Ų29.311%0.11316%0.16CC..Hα-helixtrans-70.6-40.2177.1-64.1-56.4000111.4V443 L445 I458 L496 L511 P515 K516 F520 V521 L522V443-I518 HydrophobicContact CG1-CD1 4.19Å; L445-I518 HydrophobicContact CD1-CD1 3.93Å; L445-I518 HydrophobicContact CD1-CG1 3.65Å; L445-I518 HydrophobicContact CD2-CD1 3.71Å; L445-I518 HydrophobicContact CD2-CG1 4.13Å; L445-I518 HydrophobicContact CG-CD1 4.35Å; I458-I518 HydrophobicContact CD1-CG2 3.65Å; L496-I518 HydrophobicContact CD2-CG2 4.09Å; L511-I518 HydrophobicContact CD1-CG1 4.21Å; P515-I518 WeakPolarHBondContact O-CB 3.5Å; P515-I518 PolarHBondContact O-N 3.4Å; K516-I518 VanDerWaalsContact C-N 3.26Å; K516-I518 PolarHBondContact O-N 3.49Å; I518-F520 PolarHBondContact O-N 3.29Å; I518-V521 WeakPolarHBondContact O-CB 3.33Å; I518-V521 PolarHBondContact O-N 3Å; I518-L522 WeakPolarHBondContact O-CB 3.04Å; I518-L522 PolarHBondContact O-N 2.88Å
519V91.3Very high92.2Very high14 Ų1427.6 Ų27.69%0.08515%0.148CC..Hα-helixtrans-59.5-37.8172.1177.30000110.8D490 L496 P515 K516 L522 H523D490-V519 HydrophobicContact CB-CG2 4.16Å; L496-V519 HydrophobicContact CD1-CG2 3.84Å; P515-V519 PolarHBondContact O-N 3.3Å; P515-V519 VanDerWaalsContact O-N 3.13Å; K516-V519 PolarHBondContact O-N 2.94Å; V519-L522 PolarHBondContact O-N 2.83Å; V519-H523 VanDerWaalsContact O-CG 3.29Å; V519-H523 PolarHBondContact O-N 3.17Å
520F93.1Very high91.8Very high15 Ų1529.6 Ų29.67%0.06616%0.16CC..Hα-helixtrans-65.5-46.2175.7-75.111.1000111.7A378 R380 R402 I409 K516 P517 I518 L522 H523 T524A378-F520 WeakPolarHBondContact O-CD2 3.47Å; R380-F520 HydrophobicContact CG-CB 4.41Å; R380-F520 HydrophobicContact CG-CD1 4.38Å; R380-F520 HydrophobicContact CG-CD2 3.98Å; R380-F520 HydrophobicContact CG-CE2 4.3Å; R380-F520 HydrophobicContact CG-CG 4.01Å; R402-F520 HydrophobicContact CB-CE2 3.73Å; R402-F520 HydrophobicContact CB-CZ 3.97Å; R402-F520 WeakPolarHBondContact O-CE2 3.41Å; I409-F520 HydrophobicContact CD1-CE1 4.19Å; I409-F520 HydrophobicContact CD1-CE2 4.23Å; I409-F520 HydrophobicContact CD1-CZ 3.65Å; I409-F520 HydrophobicContact CG1-CE2 4.4Å; I409-F520 HydrophobicContact CG1-CZ 4.31Å; I409-F520 HydrophobicContact CG2-CE2 4.28Å; I409-F520 HydrophobicContact CG2-CZ 4.42Å; K516-F520 WeakPolarHBondContact O-CD1 3.46Å; K516-F520 WeakPolarHBondContact O-CG 3.36Å; K516-F520 PolarHBondContact O-N 2.74Å; P517-F520 WeakPolarHBondContact O-CB 3.37Å; P517-F520 PolarHBondContact O-N 3.49Å; I518-F520 PolarHBondContact O-N 3.29Å; F520-L522 VanDerWaalsContact C-N 3.32Å; F520-L522 PolarHBondContact O-N 2.96Å; F520-H523 PolarHBondContact O-N 2.9Å; F520-T524 PolarHBondContact O-N 2.65Å; F520-T524 PolarHBondContact O-OG1 3.02Å
521V93.8Very high91.5Very high5 Ų531.6 Ų31.63%0.0317%0.173CC..Hα-helixtrans-55.3-47.8174170.30000111.2V377 A378 V443 P517 I518 H523 T524 F525V377-V521 HydrophobicContact CG1-CG2 4.16Å; V377-V521 HydrophobicContact CG2-CB 4.4Å; V377-V521 HydrophobicContact CG2-CG1 4.02Å; V377-V521 HydrophobicContact CG2-CG2 4.12Å; V377-V521 WeakPolarHBondContact O-CA 3.44Å; A378-V521 HydrophobicContact CB-CG2 4.14Å; V443-V521 HydrophobicContact CB-CG1 4.05Å; V443-V521 HydrophobicContact CG2-CG1 3.73Å; V443-V521 HydrophobicContact CG2-CG2 4.46Å; P517-V521 WeakPolarHBondContact O-CG2 3.44Å; P517-V521 PolarHBondContact O-N 2.96Å; I518-V521 WeakPolarHBondContact O-CB 3.33Å; I518-V521 PolarHBondContact O-N 3Å; V521-H523 PolarHBondContact O-N 3.37Å; V521-T524 PolarHBondContact O-N 2.81Å; V521-T524 VanDerWaalsContact O-N 3.15Å; V521-F525 HydrophobicContact CG1-CD1 4.32Å; V521-F525 HydrophobicContact CG1-CE1 4.15Å; V521-F525 HydrophobicContact CG1-CE2 4.33Å; V521-F525 HydrophobicContact CG1-CZ 4.15Å; V521-F525 PolarHBondContact O-N 3.32Å
522L93.1Very high91.2Very high6 Ų637 Ų373%0.03119%0.193CC..Hα-helixtrans-57.2-48.6178.8179.8137.3000111.5F464 L485 I518 V519 F520 T524 F525 L526F464-L522 HydrophobicContact CE1-CD1 3.53Å; F464-L522 HydrophobicContact CZ-CD1 3.44Å; F464-L522 VanDerWaalsContact CZ-CD1 3.44Å; F464-L522 HydrophobicContact CZ-CG 4.37Å; L485-L522 HydrophobicContact CD2-CD1 3.93Å; L485-L522 HydrophobicContact CD2-CD2 4.22Å; I518-L522 WeakPolarHBondContact O-CB 3.04Å; I518-L522 PolarHBondContact O-N 2.88Å; V519-L522 PolarHBondContact O-N 2.83Å; F520-L522 VanDerWaalsContact C-N 3.32Å; F520-L522 PolarHBondContact O-N 2.96Å; L522-T524 VanDerWaalsContact C-N 3.35Å; L522-T524 PolarHBondContact O-N 2.69Å; L522-F525 PolarHBondContact O-N 3.04Å; L522-L526 HydrophobicContact CD2-CD1 3.71Å; L522-L526 HydrophobicContact CG-CD1 4.25Å; L522-L526 WeakPolarHBondContact O-CB 3.47Å; L522-L526 WeakPolarHBondContact O-CG 3.35Å; L522-L526 PolarHBondContact O-N 2.94Å
523H91.4Very high90.9Very high68 Ų6836 Ų3632%0.31519%0.19SC..Hα-helixtrans-66.4-35.9177.2-65.4163.5000113R380 V519 F520 V521 S527R380-H523 VanDerWaalsContact NH1-CG 3.33Å; R380-H523 PolarHBondContact NH1-ND1 3.11Å; R380-H523 VanDerWaalsContact NH1-ND1 3.1Å; V519-H523 VanDerWaalsContact O-CG 3.29Å; V519-H523 PolarHBondContact O-N 3.17Å; F520-H523 PolarHBondContact O-N 2.9Å; V521-H523 PolarHBondContact O-N 3.37Å; H523-S527 WeakPolarHBondContact O-CB 3.34Å; H523-S527 PolarHBondContact O-N 2.87Å
524T94.3Very high90.5Very high8 Ų835.8 Ų35.85%0.04920%0.197CC..Hα-helixtrans-65.1-44.7176.7-56.90000110.5V377 C433 A437 F520 V521 L522 S527 A528V377-T524 WeakPolarHBondContact O-CB 3.28Å; V377-T524 PolarHBondContact O-OG1 2.83Å; C433-T524 HydrophobicContact CB-CG2 4.02Å; C433-T524 WeakPolarHBondContact O-CG2 3.28Å; A437-T524 HydrophobicContact CB-CG2 4.15Å; F520-T524 PolarHBondContact O-N 2.65Å; F520-T524 PolarHBondContact O-OG1 3.02Å; V521-T524 PolarHBondContact O-N 2.81Å; V521-T524 VanDerWaalsContact O-N 3.15Å; L522-T524 VanDerWaalsContact C-N 3.35Å; L522-T524 PolarHBondContact O-N 2.69Å; T524-S527 PolarHBondContact O-N 2.6Å; T524-A528 VanDerWaalsContact O-CB 3.31Å; T524-A528 WeakPolarHBondContact O-CB 3.49Å; T524-A528 PolarHBondContact O-N 2.96Å
525F95.1Very high89.7Confident0 Ų040.2 Ų40.20%022%0.218CC..Hα-helixtrans-60.9-47.9176.2-79.413.9000111.4V377 A437 V443 I458 Y460 F482 V521 L522 A528 K529V377-F525 HydrophobicContact CG2-CD1 4Å; V377-F525 HydrophobicContact CG2-CE1 3.46Å; V377-F525 VanDerWaalsContact CG2-CE1 3.46Å; V377-F525 HydrophobicContact CG2-CZ 4.37Å; A437-F525 HydrophobicContact CB-CD1 3.57Å; A437-F525 HydrophobicContact CB-CE1 3.74Å; V443-F525 HydrophobicContact CG2-CZ 4.18Å; I458-F525 HydrophobicContact CG2-CD2 3.88Å; I458-F525 HydrophobicContact CG2-CE2 4.19Å; I458-F525 WeakPolarHBondContact O-CE2 3.34Å; Y460-F525 HydrophobicContact CD2-CB 4.08Å; Y460-F525 HydrophobicContact CD2-CD1 4.19Å; Y460-F525 HydrophobicContact CD2-CD2 4.4Å; Y460-F525 AromaticContact CD2-CG 3.99Å; Y460-F525 HydrophobicContact CD2-CG 3.99Å; Y460-F525 WeakPolarHBondContact CE2-O 3.22Å; F482-F525 HydrophobicContact CZ-CB 4.03Å; F482-F525 HydrophobicContact CZ-CD2 4.2Å; V521-F525 HydrophobicContact CG1-CD1 4.32Å; V521-F525 HydrophobicContact CG1-CE1 4.15Å; V521-F525 HydrophobicContact CG1-CE2 4.33Å; V521-F525 HydrophobicContact CG1-CZ 4.15Å; V521-F525 PolarHBondContact O-N 3.32Å; L522-F525 PolarHBondContact O-N 3.04Å; F525-A528 PolarHBondContact O-N 3.3Å; F525-K529 VanDerWaalsContact O-CB 3.31Å; F525-K529 WeakPolarHBondContact O-CB 3.4Å; F525-K529 PolarHBondContact O-N 3.33Å
526L91Very high88.2Confident55 Ų5545.3 Ų45.329%0.28825%0.245SC..Hα-helixtrans-60.5-48.7176.2-75.9171000111.7F482 L522 A528 K529 V530F482-L526 HydrophobicContact CB-CD2 4.14Å; F482-L526 HydrophobicContact CD1-CD2 3.4Å; F482-L526 HydrophobicContact CD1-CG 3.91Å; F482-L526 HydrophobicContact CE1-CD2 3.96Å; F482-L526 HydrophobicContact CE1-CG 3.98Å; F482-L526 HydrophobicContact CG-CD2 3.93Å; L522-L526 HydrophobicContact CD2-CD1 3.71Å; L522-L526 HydrophobicContact CG-CD1 4.25Å; L522-L526 WeakPolarHBondContact O-CB 3.47Å; L522-L526 WeakPolarHBondContact O-CG 3.35Å; L522-L526 PolarHBondContact O-N 2.94Å; L526-A528 PolarHBondContact O-N 2.81Å; L526-K529 PolarHBondContact O-N 2.8Å; L526-V530 WeakPolarHBondContact O-CB 3.38Å; L526-V530 WeakPolarHBondContact O-CG2 3.41Å; L526-V530 PolarHBondContact O-N 2.66Å
527S91.8Very high85.9Confident46 Ų4652.3 Ų52.332%0.32229%0.292SS..Hα-helixtrans-60.2-46.8179.8177.70000111.8H434 H523 T524 V530 T531H434-S527 PolarHBondContact NE2-OG 3.42Å; H523-S527 WeakPolarHBondContact O-CB 3.34Å; H523-S527 PolarHBondContact O-N 2.87Å; T524-S527 PolarHBondContact O-N 2.6Å; S527-V530 PolarHBondContact O-N 3.15Å; S527-T531 WeakPolarHBondContact O-CB 3.46Å; S527-T531 PolarHBondContact O-N 2.99Å; S527-T531 PolarHBondContact O-OG1 2.96Å; S527-T531 VanDerWaalsContact O-OG1 3.09Å
528A92.6Very high85.7Confident1 Ų153.9 Ų53.91%0.00830%0.3CS..Hα-helixtrans-63.4-42.6177.900000111.7H434 A437 Y460 T524 F525 L526 V530 T531 R532H434-A528 HydrophobicContact CB-CB 3.92Å; A437-A528 HydrophobicContact CB-CB 4.21Å; Y460-A528 HydrophobicContact CE2-CB 3.85Å; T524-A528 VanDerWaalsContact O-CB 3.31Å; T524-A528 WeakPolarHBondContact O-CB 3.49Å; T524-A528 PolarHBondContact O-N 2.96Å; F525-A528 PolarHBondContact O-N 3.3Å; L526-A528 PolarHBondContact O-N 2.81Å; A528-V530 PolarHBondContact O-N 3.48Å; A528-T531 PolarHBondContact O-N 3.29Å; A528-R532 WeakPolarHBondContact O-CB 3.31Å; A528-R532 PolarHBondContact O-N 2.95Å
529K89.2Confident85.3Confident19 Ų1955.5 Ų55.58%0.08331%0.31CS..Hα-helixtrans-61.1-44.7177-163.1-175.4-177.4-175.10111.3Y460 E483 F525 L526 R532 M533Y460-K529 HydrophobicContact CE2-CB 4.25Å; Y460-K529 PolarHBondContact OH-N 3.36Å; E483-K529 IonicContact OE1-NZ 3.69Å; E483-K529 PolarHBondContact OE1-NZ 3.23Å; F525-K529 VanDerWaalsContact O-CB 3.31Å; F525-K529 WeakPolarHBondContact O-CB 3.4Å; F525-K529 PolarHBondContact O-N 3.33Å; L526-K529 PolarHBondContact O-N 2.8Å; K529-R532 PolarHBondContact O-N 3.25Å; K529-M533 HydrophobicContact CD-CE 4.5Å; K529-M533 HydrophobicContact CG-CE 4.03Å; K529-M533 VanDerWaalsContact O-CG 3.31Å; K529-M533 WeakPolarHBondContact O-CG 3.34Å; K529-M533 PolarHBondContact O-N 2.76Å
530V87.8Confident85Confident42 Ų4257.8 Ų57.826%0.25532%0.322SS..Hα-helixtrans-66.2-43.9179.1175.50000111.4L526 S527 A528 M533 G534 L535 L536L526-V530 WeakPolarHBondContact O-CB 3.38Å; L526-V530 WeakPolarHBondContact O-CG2 3.41Å; L526-V530 PolarHBondContact O-N 2.66Å; S527-V530 PolarHBondContact O-N 3.15Å; A528-V530 PolarHBondContact O-N 3.48Å; V530-M533 PolarHBondContact O-N 2.87Å; V530-G534 PolarHBondContact O-N 3.38Å; V530-L535 HydrophobicContact CG1-CB 3.75Å; V530-L535 PolarHBondContact O-N 3.23Å; V530-L535 VanDerWaalsContact O-N 3.17Å; V530-L536 HydrophobicContact CB-CD1 4.14Å; V530-L536 HydrophobicContact CG1-CB 4.27Å; V530-L536 HydrophobicContact CG1-CD1 3.36Å; V530-L536 HydrophobicContact CG1-CG 3.52Å
531T87.9Confident84.5Confident62 Ų6260.4 Ų60.438%0.3834%0.337SS..Hα-helixtrans-61-44.1174.9-64.40000111.3H434 S527 A528 M533 G534H434-T531 PolarHBondContact CE1-OG1 3.11Å; S527-T531 WeakPolarHBondContact O-CB 3.46Å; S527-T531 PolarHBondContact O-N 2.99Å; S527-T531 PolarHBondContact O-OG1 2.96Å; S527-T531 VanDerWaalsContact O-OG1 3.09Å; A528-T531 PolarHBondContact O-N 3.29Å; T531-M533 VanDerWaalsContact C-N 3.29Å; T531-M533 PolarHBondContact O-N 2.82Å; T531-G534 PolarHBondContact O-N 3.4Å
532R87.1Confident83.9Confident121 Ų12163.8 Ų63.846%0.45736%0.357SS..Hα-helixtrans-62.2-35.1176.9-172.3-177.470.4174.1-1.3112.9E461 A528 K529 G534E461-R532 VanDerWaalsContact CD-NH2 3.27Å; E461-R532 IonicContact OE1-CZ 3.7Å; E461-R532 IonicContact OE1-NH1 3.53Å; E461-R532 PolarHBondContact OE1-NH1 3.45Å; E461-R532 IonicContact OE1-NH2 3.44Å; E461-R532 PolarHBondContact OE1-NH2 3.23Å; E461-R532 IonicContact OE2-CZ 3.83Å; E461-R532 IonicContact OE2-NH2 2.85Å; E461-R532 PolarHBondContact OE2-NH2 3.38Å; A528-R532 WeakPolarHBondContact O-CB 3.31Å; A528-R532 PolarHBondContact O-N 2.95Å; K529-R532 PolarHBondContact O-N 3.25Å; R532-G534 PolarHBondContact O-N 2.9Å
533M84.4Confident83.3Confident98 Ų9867.7 Ų67.748%0.48338%0.378SS..THydrogen-bonded Turntrans-77.4-2.7176-68.7-174-62.700113.4K529 V530 T531 L535K529-M533 HydrophobicContact CD-CE 4.5Å; K529-M533 HydrophobicContact CG-CE 4.03Å; K529-M533 VanDerWaalsContact O-CG 3.31Å; K529-M533 WeakPolarHBondContact O-CG 3.34Å; K529-M533 PolarHBondContact O-N 2.76Å; V530-M533 PolarHBondContact O-N 2.87Å; T531-M533 VanDerWaalsContact C-N 3.29Å; T531-M533 PolarHBondContact O-N 2.82Å; M533-L535 HydrophobicContact CB-CD1 4.03Å; M533-L535 HydrophobicContact CB-CG 3.92Å; M533-L535 HydrophobicContact CE-CD1 3.86Å; M533-L535 PolarHBondContact O-N 3.21Å; M533-L535 HydrophobicContact SD-CD1 4.5Å
534G81Confident82.8Confident53 Ų5367.6 Ų67.655%0.54638%0.383SS..THydrogen-bonded Turntrans69.120.7-179.400000113.9V530 T531 R532V530-G534 PolarHBondContact O-N 3.38Å; T531-G534 PolarHBondContact O-N 3.4Å; R532-G534 PolarHBondContact O-N 2.9Å
535L73.2Confident81.9Confident122 Ų12272.2 Ų72.264%0.63941%0.408SS*.  trans-87.3-6.1-176.5-65178.4000113.4V530 M533V530-L535 HydrophobicContact CG1-CB 3.75Å; V530-L535 PolarHBondContact O-N 3.23Å; V530-L535 VanDerWaalsContact O-N 3.17Å; M533-L535 HydrophobicContact CB-CD1 4.03Å; M533-L535 HydrophobicContact CB-CG 3.92Å; M533-L535 HydrophobicContact CE-CD1 3.86Å; M533-L535 PolarHBondContact O-N 3.21Å; M533-L535 HydrophobicContact SD-CD1 4.5Å
536L59.7Low80.8Confident108 Ų10878.3 Ų78.357%0.56544%0.443SS*.  trans-126.1117.7170.4-74.8164.9000107.5V530V530-L536 HydrophobicContact CB-CD1 4.14Å; V530-L536 HydrophobicContact CG1-CB 4.27Å; V530-L536 HydrophobicContact CG1-CD1 3.36Å; V530-L536 HydrophobicContact CG1-CG 3.52Å
537V43.8Very low79.8Confident212 Ų21280.4 Ų80.4100%1.28546%0.457SS*.  trans-95.90172.2179.20000109.4

Retrieved 537 of 537 residues in 358 ms (Link to these results)

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