A0A087YEF9_POEFO Loading...

Phospholipid-transporting ATPase

AlphaFold DB , UniProt , Accession A0A087YEF9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,138 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
1M34.4Very low34.6Very low227 Ų227120.4 Ų120.4100%1.11861%0.606SS**  0122.10-71.5-177.1-171.100107.4F3M1-F3 PolarHBondContact O-N 3.31Å
2D27.3Very low34.2Very low134 Ų134125.7 Ų125.772%0.71761%0.613SS**  trans-81.896.4-168-150.5-23.6000110.1S4D2-S4 PolarHBondContact O-N 3.48Å; D2-S4 VanDerWaalsContact O-N 3.14Å; D2-S4 WeakPolarHBondContact OD1-CB 3.36Å; D2-S4 PolarHBondContact OD1-OG 2.92Å
3F34.1Very low34.1Very low152 Ų152131.7 Ų131.767%0.66763%0.627SS**THydrogen-bonded Turntrans-69-1.7179.9-85.9-86.6000113.4M1 L5 L6 R7M1-F3 PolarHBondContact O-N 3.31Å; F3-L5 VanDerWaalsContact C-N 3.27Å; F3-L5 PolarHBondContact O-N 2.66Å; F3-L6 HydrophobicContact CD1-CB 4.43Å; F3-L6 HydrophobicContact CD1-CD2 4.2Å; F3-L6 HydrophobicContact CE1-CD2 4.25Å; F3-L6 PolarHBondContact O-N 3.18Å; F3-R7 WeakPolarHBondContact O-CB 3.4Å; F3-R7 PolarHBondContact O-N 3.36Å
4S34.9Very low34.1Very low51 Ų51130.1 Ų130.136%0.35764%0.636SS.*Hα-helixtrans-59.5-38.1173.555.20000111.9D2 R7 N8D2-S4 PolarHBondContact O-N 3.48Å; D2-S4 VanDerWaalsContact O-N 3.14Å; D2-S4 WeakPolarHBondContact OD1-CB 3.36Å; D2-S4 PolarHBondContact OD1-OG 2.92Å; S4-R7 PolarHBondContact O-N 2.87Å; S4-N8 WeakPolarHBondContact O-CB 3.43Å; S4-N8 PolarHBondContact O-N 3.14Å; S4-N8 PolarHBondContact O-ND2 3.39Å
5L37.1Very low34Very low122 Ų122125.6 Ų125.664%0.63963%0.627SS**Hα-helixtrans-70.3-41.1180-137.5112.3000111.9F3 N8 I9F3-L5 VanDerWaalsContact C-N 3.27Å; F3-L5 PolarHBondContact O-N 2.66Å; L5-N8 PolarHBondContact O-N 3.39Å; L5-I9 HydrophobicContact CD2-CD1 4Å; L5-I9 WeakPolarHBondContact O-CD1 3.34Å; L5-I9 WeakPolarHBondContact O-CG1 3.41Å; L5-I9 PolarHBondContact O-N 3.38Å
6L34.1Very low33.8Very low91 Ų91122.4 Ų122.448%0.47664%0.636SS.*Hα-helixtrans-70-36.6177.9-153.985.7000111.5F3 I9 I10F3-L6 HydrophobicContact CD1-CB 4.43Å; F3-L6 HydrophobicContact CD1-CD2 4.2Å; F3-L6 HydrophobicContact CE1-CD2 4.25Å; F3-L6 PolarHBondContact O-N 3.18Å; L6-I9 PolarHBondContact O-N 3.17Å; L6-I10 HydrophobicContact CD2-CD1 4.07Å; L6-I10 HydrophobicContact CG-CD1 4.06Å; L6-I10 WeakPolarHBondContact O-CB 3.19Å; L6-I10 VanDerWaalsContact O-CG1 3.25Å; L6-I10 WeakPolarHBondContact O-CG1 3.46Å; L6-I10 PolarHBondContact O-N 2.82Å
7R37Very low33.7Very low198 Ų198125.1 Ų125.175%0.74765%0.645SS**Hα-helixtrans-64.4-39.9173.2-176.2177.3167.6-175.5-4.7111.7F3 S4 S11F3-R7 WeakPolarHBondContact O-CB 3.4Å; F3-R7 PolarHBondContact O-N 3.36Å; S4-R7 PolarHBondContact O-N 2.87Å; R7-S11 WeakPolarHBondContact O-CB 3.15Å; R7-S11 PolarHBondContact O-N 2.96Å; R7-S11 PolarHBondContact O-OG 3.37Å
8N35.3Very low33.7Very low99 Ų99127.7 Ų127.753%0.52965%0.654SS.*Hα-helixtrans-70.7-32176.1-71.5-9.9000112.4S4 L5 S11 R12S4-N8 WeakPolarHBondContact O-CB 3.43Å; S4-N8 PolarHBondContact O-N 3.14Å; S4-N8 PolarHBondContact O-ND2 3.39Å; L5-N8 PolarHBondContact O-N 3.39Å; N8-S11 PolarHBondContact O-OG 2.88Å; N8-R12 WeakPolarHBondContact O-CB 3.47Å; N8-R12 PolarHBondContact O-N 2.75Å; N8-R12 VanDerWaalsContact O-N 3.09Å
9I32.8Very low33.7Very low84 Ų84128.7 Ų128.743%0.43166%0.66SS.*Hα-helixtrans-74.3-41.9175.8-68.8164.6000110.8L5 L6 R12 Y13L5-I9 HydrophobicContact CD2-CD1 4Å; L5-I9 WeakPolarHBondContact O-CD1 3.34Å; L5-I9 WeakPolarHBondContact O-CG1 3.41Å; L5-I9 PolarHBondContact O-N 3.38Å; L6-I9 PolarHBondContact O-N 3.17Å; I9-R12 PolarHBondContact O-N 3.09Å; I9-Y13 HydrophobicContact CG2-CD2 4.35Å; I9-Y13 WeakPolarHBondContact O-CD2 3.29Å; I9-Y13 PolarHBondContact O-N 2.74Å
10I38.1Very low33.9Very low97 Ų97133.4 Ų133.450%0.49767%0.669SS.*Hα-helixtrans-70-36.1176.9-65.5167000110.8L6 R12 Y13 C14L6-I10 HydrophobicContact CD2-CD1 4.07Å; L6-I10 HydrophobicContact CG-CD1 4.06Å; L6-I10 WeakPolarHBondContact O-CB 3.19Å; L6-I10 VanDerWaalsContact O-CG1 3.25Å; L6-I10 WeakPolarHBondContact O-CG1 3.46Å; L6-I10 PolarHBondContact O-N 2.82Å; I10-R12 VanDerWaalsContact C-N 3.31Å; I10-R12 PolarHBondContact O-N 3.49Å; I10-Y13 PolarHBondContact O-N 3.37Å; I10-C14 WeakPolarHBondContact O-CB 3.47Å; I10-C14 PolarHBondContact O-N 3.34Å; I10-C14 VanDerWaalsContact O-N 3.1Å
11S35.5Very low34.8Very low69 Ų69129.8 Ų129.848%0.48366%0.655SS.*Hα-helixtrans-67.9-32.2173.581.90000112.4R7 N8R7-S11 WeakPolarHBondContact O-CB 3.15Å; R7-S11 PolarHBondContact O-N 2.96Å; R7-S11 PolarHBondContact O-OG 3.37Å; N8-S11 PolarHBondContact O-OG 2.88Å
12R30Very low36Very low184 Ų184126.6 Ų126.669%0.69464%0.642SS**Hα-helixtrans-71-25.3176.4-102.9-177.1169.7174.4-2.5114.9N8 I9 I10N8-R12 WeakPolarHBondContact O-CB 3.47Å; N8-R12 PolarHBondContact O-N 2.75Å; N8-R12 VanDerWaalsContact O-N 3.09Å; I9-R12 PolarHBondContact O-N 3.09Å; I10-R12 VanDerWaalsContact C-N 3.31Å; I10-R12 PolarHBondContact O-N 3.49Å
13Y33.2Very low38.1Very low204 Ų204122.4 Ų122.480%0.862%0.623SS**Hα-helixtrans-108-11.4-176.6-82.6-81000114.4I9 I10I9-Y13 HydrophobicContact CG2-CD2 4.35Å; I9-Y13 WeakPolarHBondContact O-CD2 3.29Å; I9-Y13 PolarHBondContact O-N 2.74Å; I10-Y13 PolarHBondContact O-N 3.37Å
14C33.3Very low40.5Very low110 Ų110115.2 Ų115.274%0.74359%0.592SS**Hα-helixtrans-113-5-179.7-66.90000115.4I10I10-C14 WeakPolarHBondContact O-CB 3.47Å; I10-C14 PolarHBondContact O-N 3.34Å; I10-C14 VanDerWaalsContact O-N 3.1Å
15A32.3Very low42.9Very low62 Ų62113.7 Ų113.751%0.51258%0.58SS.*SBendtrans-124.1115.816600000107.3E17A15-E17 PolarHBondContact O-N 2.82Å; A15-E17 VanDerWaalsContact O-N 3.15Å
16G30.9Very low45.3Very low74 Ų74107.9 Ų107.976%0.76355%0.55SS*.  trans-58119.6169.700000108.5E18G16-E18 PolarHBondContact O-N 3.15Å
17E32.4Very low47.9Very low169 Ų169106 Ų10679%0.7954%0.536SS*.  trans-68.176.7159.4-78.1179.6161.900107.3A15A15-E17 PolarHBondContact O-N 2.82Å; A15-E17 VanDerWaalsContact O-N 3.15Å
18E34.2Very low50.4Low172 Ų17296.6 Ų96.680%0.80450%0.501SS*.  trans-86.3121.2160.7-76.5-176169.500107.4G16 W20G16-E18 PolarHBondContact O-N 3.15Å; E18-W20 PolarHBondContact O-N 3.39Å
19N32.8Very low52.7Low146 Ų14693 Ų9378%0.78149%0.488SS*.  trans-8.4102.2169.3-60.5-29000114.9V21N19-V21 PolarHBondContact O-N 3.3Å
20W38Very low55.1Low222 Ų22293.9 Ų93.984%0.84149%0.49SS*.  trans-63.8108166.4-79.269.1000108E18E18-W20 PolarHBondContact O-N 3.39Å
21V52.2Low57.1Low59 Ų5992.3 Ų92.336%0.35848%0.48SS..  trans-74.4132.2168.2-170.10000106.9N19 S23 Q218N19-V21 PolarHBondContact O-N 3.3Å; V21-S23 WeakPolarHBondContact CG1-O 3.46Å; V21-S23 PolarHBondContact O-N 3.32Å; V21-Q218 PolarHBondContact O-NE2 3.42Å
22D60.7Low58.9Low160 Ų16097 Ų9786%0.85649%0.494SS*.SBendtrans-60.7-15-179.2-73.3-35.2000113.3
23S71.9Confident60.7Low45 Ų4590.2 Ų90.232%0.31547%0.473SS..EExtended strand (participates in β ladder)trans-135.8159.2-177.8590000113.1V21 Q43 C216V21-S23 WeakPolarHBondContact CG1-O 3.46Å; V21-S23 PolarHBondContact O-N 3.32Å; S23-Q43 PolarHBondContact O-NE2 3.38Å; S23-C216 WeakPolarHBondContact CA-O 3.37Å
24R84.1Confident62.4Low2 Ų283.4 Ų83.41%0.00845%0.454CS..EExtended strand (participates in β ladder)trans-114.5146173.673.2-171.8-71.4141.8-7.4110.5Y45 E215 C216 E217 V267 Y268 E272R24-Y45 VanDerWaalsContact NH2-CD1 3.32Å; R24-E215 WeakPolarHBondContact O-CA 3.41Å; R24-C216 VanDerWaalsContact CD-SG 3.51Å; R24-C216 WeakPolarHBondContact CG-SG 3.25Å; R24-C216 PolarHBondContact N-O 2.9Å; R24-C216 PolarHBondContact O-N 3.34Å; R24-E217 WeakPolarHBondContact CD-O 3.3Å; R24-V267 PolarHBondContact NH2-O 3.33Å; R24-Y268 VanDerWaalsContact CZ-CD1 3.45Å; R24-Y268 VanDerWaalsContact NH1-CD1 3.27Å; R24-E272 IonicContact CZ-OE2 3.33Å; R24-E272 IonicContact NH1-OE2 3.64Å; R24-E272 PolarHBondContact NH1-OE2 2.99Å; R24-E272 IonicContact NH2-OE2 3.56Å; R24-E272 PolarHBondContact NH2-OE2 2.74Å
25T85.3Confident63.4Low18 Ų1883.7 Ų83.711%0.1146%0.464CS..EExtended strand (participates in β ladder)trans-124.5122.1179.6-48.10000111.5Y40 Y45 I214 E215T25-Y40 VanDerWaalsContact CB-CE2 3.45Å; T25-Y40 HydrophobicContact CG2-CE2 4.46Å; T25-Y40 PolarHBondContact O-OH 3.43Å; T25-Y45 PolarHBondContact O-OH 3.01Å; T25-I214 CarbonylContact C-O 3.57Å; T25-I214 WeakPolarHBondContact CA-O 3.29Å; T25-E215 HydrophobicContact CG2-CG 3.88Å
26V88.1Confident64.6Low1 Ų184.6 Ų84.61%0.00648%0.48CS..EExtended strand (participates in β ladder)trans-110.4128.7-175.8179.10000110V148 T213 I214 V267V26-V148 HydrophobicContact CB-CG1 4.09Å; V26-V148 HydrophobicContact CG1-CG1 3.62Å; V26-V148 HydrophobicContact CG2-CG1 3.42Å; V26-V148 VanDerWaalsContact CG2-CG1 3.42Å; V26-T213 CarbonylContact O-C 3.56Å; V26-T213 WeakPolarHBondContact O-CA 3.19Å; V26-I214 HydrophobicContact CB-CB 4.3Å; V26-I214 PolarHBondContact N-O 3.22Å; V26-I214 PolarHBondContact O-N 2.84Å; V26-V267 HydrophobicContact CG2-CG1 4.45Å
27Y88.1Confident66Low50 Ų5083.3 Ų83.320%0.19646%0.462CS..EExtended strand (participates in β ladder)trans-91.5120.8173.9-61.1-75.7000109.8G29 H30 K31 P33 Y40 G149 T213Y27-G29 PolarHBondContact O-N 3.49Å; Y27-H30 PolarHBondContact O-N 2.86Å; Y27-K31 WeakPolarHBondContact CD1-O 3.46Å; Y27-P33 HydrophobicContact CE1-CB 4.34Å; Y27-P33 VanDerWaalsContact CE1-CD 3.43Å; Y27-P33 HydrophobicContact CE1-CG 3.77Å; Y27-Y40 AromaticContact CE2-CD1 3.7Å; Y27-Y40 HydrophobicContact CE2-CD1 3.7Å; Y27-Y40 AromaticContact CE2-CE1 3.6Å; Y27-Y40 HydrophobicContact CE2-CE1 3.6Å; Y27-Y40 HydrophobicContact CE2-CG 4.49Å; Y27-Y40 AromaticContact CZ-CD1 3.8Å; Y27-Y40 VanDerWaalsContact OH-CB 3.27Å; Y27-Y40 WeakPolarHBondContact OH-CB 3.32Å; Y27-Y40 WeakPolarHBondContact OH-CD1 3.44Å; Y27-G149 VanDerWaalsContact O-CA 3.24Å; Y27-G149 WeakPolarHBondContact O-CA 3.42Å; Y27-T213 HydrophobicContact CD1-CG2 3.47Å; Y27-T213 VanDerWaalsContact CD1-CG2 3.47Å; Y27-T213 HydrophobicContact CE1-CG2 3.5Å; Y27-T213 VanDerWaalsContact CE1-CG2 3.5Å
28I88.8Confident67Low1 Ų184.3 Ų84.31%0.00547%0.467CS..G310 helixtrans-70.1126.2176.7-54.3-167.4000108.7H30 K31 I151 L167 L210 A212 I214 I230 V265I28-H30 PolarHBondContact O-N 3.16Å; I28-K31 PolarHBondContact O-N 3.37Å; I28-I151 HydrophobicContact CG2-CD1 3.92Å; I28-I151 HydrophobicContact CG2-CG1 3.85Å; I28-L167 HydrophobicContact CD1-CD2 4.26Å; I28-L210 HydrophobicContact CD1-CD2 4.08Å; I28-L210 HydrophobicContact CG2-CD2 4.41Å; I28-A212 HydrophobicContact CD1-CB 3.89Å; I28-A212 HydrophobicContact CG1-CB 4.36Å; I28-A212 WeakPolarHBondContact CG1-O 3.2Å; I28-A212 PolarHBondContact N-O 2.84Å; I28-A212 VanDerWaalsContact N-O 3.17Å; I28-I214 HydrophobicContact CD1-CD1 3.89Å; I28-I214 HydrophobicContact CD1-CG1 4.15Å; I28-I214 HydrophobicContact CG1-CD1 4.15Å; I28-I214 HydrophobicContact CG1-CG1 4.34Å; I28-I230 HydrophobicContact CD1-CD1 3.91Å; I28-V265 HydrophobicContact CB-CG2 4.49Å; I28-V265 HydrophobicContact CD1-CG1 4.17Å; I28-V265 HydrophobicContact CG1-CG1 4.43Å; I28-V265 HydrophobicContact CG1-CG2 4.19Å; I28-V265 HydrophobicContact CG2-CG2 4.22Å
29G83.6Confident67.5Low25 Ų2581.3 Ų81.326%0.25847%0.471SS..G310 helixtrans67.318.7-179.600000114.5Y27 K31 G149Y27-G29 PolarHBondContact O-N 3.49Å; G29-K31 PolarHBondContact O-N 2.94Å; G29-G149 PolarHBondContact N-O 3.36Å
30H83.3Confident68.7Low101 Ų10177.5 Ų77.547%0.46845%0.446SS..G310 helixtrans58.724-176.3-51-72.8000114.7Y27 I28 V148 D150Y27-H30 PolarHBondContact O-N 2.86Å; I28-H30 PolarHBondContact O-N 3.16Å; H30-V148 PolarHBondContact CE1-O 3.25Å; H30-V148 VanDerWaalsContact CE1-O 3.26Å; H30-D150 IonicContact CD2-OD1 2.77Å; H30-D150 IonicContact CE1-OD1 3.96Å; H30-D150 IonicContact NE2-OD1 3.38Å; H30-D150 PolarHBondContact NE2-OD1 3.5Å
31K80.9Confident69.5Low65 Ų6572.4 Ų72.428%0.28343%0.434SS..PPolyproline II helixtrans-83.7122.1178-62.7-179.1-177175.20111.1Y27 I28 G29 D208 S209 L210Y27-K31 WeakPolarHBondContact CD1-O 3.46Å; I28-K31 PolarHBondContact O-N 3.37Å; G29-K31 PolarHBondContact O-N 2.94Å; K31-D208 VanDerWaalsContact CE-O 3.26Å; K31-D208 WeakPolarHBondContact CE-O 3.46Å; K31-D208 PolarHBondContact NZ-O 2.88Å; K31-S209 VanDerWaalsContact NZ-C 3.31Å; K31-S209 PolarHBondContact NZ-O 3.01Å; K31-S209 VanDerWaalsContact NZ-O 3.13Å; K31-L210 PolarHBondContact NZ-O 2.8Å
32E71.8Confident69.8Low167 Ų16774.8 Ų74.878%0.7845%0.451SS*.PPolyproline II helixtrans-63.4145.9175.6-67.7-176.7177.300111.5H211E32-H211 PolarHBondContact O-CE1 2.78Å; E32-H211 VanDerWaalsContact O-CE1 3.26Å; E32-H211 PolarHBondContact O-NE2 3.05Å
33P69.4Low70.1Confident41 Ų4169.4 Ų69.427%0.26642%0.421SS..PPolyproline II helixtrans-71.3156.1-17830.8-30000110.9Y27 A37 T213Y27-P33 HydrophobicContact CE1-CB 4.34Å; Y27-P33 VanDerWaalsContact CE1-CD 3.43Å; Y27-P33 HydrophobicContact CE1-CG 3.77Å; P33-A37 HydrophobicContact CB-CB 4.07Å; P33-A37 HydrophobicContact CG-CB 4.43Å; P33-T213 HydrophobicContact CB-CG2 4.49Å
34P68.6Low70.4Confident61 Ų6178.9 Ų78.940%0.39645%0.45SS..PPolyproline II helixtrans-58.9150.7178.1-19.930.7000113G36 A37 Y233P34-G36 PolarHBondContact O-N 3.11Å; P34-A37 PolarHBondContact O-N 2.97Å; P34-Y233 HydrophobicContact CG-CD1 4.1Å; P34-Y233 HydrophobicContact CG-CG 4.1Å
35A53.9Low70.4Confident116 Ų11681.8 Ų81.896%0.95946%0.461SS*.THydrogen-bonded Turntrans-61.4106.8179.700000111.4
36G57.7Low70.5Confident81 Ų8183.1 Ų83.184%0.83547%0.47SS*.THydrogen-bonded Turntrans137.8-13.5-176.500000115.1P34P34-G36 PolarHBondContact O-N 3.11Å
37A59.1Low70.6Confident47 Ų4788.6 Ų88.639%0.38850%0.499SS..SBendtrans-73.5147.3169.900000111.5P33 P34P33-A37 HydrophobicContact CB-CB 4.07Å; P33-A37 HydrophobicContact CG-CB 4.43Å; P34-A37 PolarHBondContact O-N 2.97Å
38E54.2Low70.8Confident191 Ų19186.2 Ų86.289%0.89349%0.49SS*.  trans-52.6142.6-177.4-70.8-173.7161.800112.8Y40E38-Y40 PolarHBondContact O-N 3.31Å
39A45.1Very low70.9Confident108 Ų10892.9 Ų92.989%0.89352%0.515SS*.  trans-62.3115.2-174.100000112
40Y57.3Low70.9Confident66 Ų6692.7 Ų92.726%0.25951%0.508SS..  trans-93.5139.3179.1177.7-109.3000112.5T25 Y27 E38 Q43 Y45T25-Y40 VanDerWaalsContact CB-CE2 3.45Å; T25-Y40 HydrophobicContact CG2-CE2 4.46Å; T25-Y40 PolarHBondContact O-OH 3.43Å; Y27-Y40 AromaticContact CE2-CD1 3.7Å; Y27-Y40 HydrophobicContact CE2-CD1 3.7Å; Y27-Y40 AromaticContact CE2-CE1 3.6Å; Y27-Y40 HydrophobicContact CE2-CE1 3.6Å; Y27-Y40 HydrophobicContact CE2-CG 4.49Å; Y27-Y40 AromaticContact CZ-CD1 3.8Å; Y27-Y40 VanDerWaalsContact OH-CB 3.27Å; Y27-Y40 WeakPolarHBondContact OH-CB 3.32Å; Y27-Y40 WeakPolarHBondContact OH-CD1 3.44Å; E38-Y40 PolarHBondContact O-N 3.31Å; Y40-Q43 WeakPolarHBondContact OH-CB 3.37Å; Y40-Q43 PolarHBondContact OH-N 2.95Å; Y40-Y45 PolarHBondContact OH-OH 3.03Å
41I56.1Low70.9Confident115 Ų11590.9 Ų90.959%0.5950%0.504SS*.  trans-90120.5169.6-58.6171.2000107.9Q43I41-Q43 PolarHBondContact O-N 2.82Å
42P58.2Low70.7Confident110 Ų11089.2 Ų89.271%0.71450%0.5SS*.  trans-61.4101178.922.7-31.1000111.6
43Q67.1Low71.1Confident46 Ų4682 Ų8222%0.21547%0.469CS..  trans-71.8136.6173.2-66-178-2.500110.4S23 Y40 I41 Y45S23-Q43 PolarHBondContact O-NE2 3.38Å; Y40-Q43 WeakPolarHBondContact OH-CB 3.37Å; Y40-Q43 PolarHBondContact OH-N 2.95Å; I41-Q43 PolarHBondContact O-N 2.82Å; Q43-Y45 HydrophobicContact CB-CE1 4.15Å
44R76.9Confident71.4Confident245 Ų24583.6 Ų83.693%0.92547%0.471SS*.  trans-86.3115.9174.5-72.6-177.3177.7173.81.8109.8
45Y85.7Confident72.1Confident63 Ų6381.2 Ų81.225%0.24745%0.454CS..PPolyproline II helixtrans-89.6149.1175.8-57.4-57.5000112.4R24 T25 Y40 Q43 V148R24-Y45 VanDerWaalsContact NH2-CD1 3.32Å; T25-Y45 PolarHBondContact O-OH 3.01Å; Y40-Y45 PolarHBondContact OH-OH 3.03Å; Q43-Y45 HydrophobicContact CB-CE1 4.15Å; Y45-V148 HydrophobicContact CD1-CG1 4.47Å; Y45-V148 HydrophobicContact CD1-CG2 4.18Å; Y45-V148 HydrophobicContact CD2-CB 3.57Å; Y45-V148 HydrophobicContact CD2-CG1 3.78Å; Y45-V148 HydrophobicContact CD2-CG2 3.99Å; Y45-V148 HydrophobicContact CE1-CG1 4.46Å; Y45-V148 HydrophobicContact CE2-CB 4.08Å; Y45-V148 HydrophobicContact CE2-CG1 3.75Å; Y45-V148 HydrophobicContact CG-CB 3.82Å; Y45-V148 HydrophobicContact CG-CG1 4.14Å; Y45-V148 HydrophobicContact CG-CG2 3.66Å
46P87Confident73.8Confident45 Ų4579 Ų7929%0.29243%0.429SS..PPolyproline II helixtrans-72.2149.9173.530-34.5000111.8T269 E272P46-T269 PolarHBondContact O-OG1 2.67Å; P46-E272 VanDerWaalsContact CD-CD 3.42Å; P46-E272 WeakPolarHBondContact CD-OE1 3.27Å; P46-E272 HydrophobicContact CG-CB 4.17Å; P46-E272 HydrophobicContact CG-CG 3.69Å; P46-E272 WeakPolarHBondContact CG-OE1 3.22Å
47N90.1Very high75.1Confident116 Ų11683.8 Ų83.862%0.6243%0.427SS*.PPolyproline II helixtrans-64.3152.9172.9-71.7-31.6000111.5R49 G270N47-R49 PolarHBondContact O-N 3.15Å; N47-G270 WeakPolarHBondContact O-CA 3.44Å
48N92.7Very high76.6Confident0 Ų092 Ų920%045%0.448CS..SBendtrans-73.728.3178.3-16534.1000115.3S143 L146 P161 R252 T269 G270N48-S143 WeakPolarHBondContact CB-O 3.49Å; N48-S143 PolarHBondContact ND2-O 3.31Å; N48-S143 PolarHBondContact ND2-OG 3.18Å; N48-L146 HydrophobicContact CB-CB 3.99Å; N48-L146 WeakPolarHBondContact CB-O 3.36Å; N48-P161 PolarHBondContact ND2-O 2.75Å; N48-R252 PolarHBondContact OD1-NH1 3.02Å; N48-T269 HydrophobicContact CB-CG2 4.21Å; N48-G270 PolarHBondContact OD1-N 3.35Å
49R89.9Confident78.3Confident141 Ų14185.6 Ų85.653%0.53242%0.42SS..  trans-88.5125.9178.8-170.8179179.2173.11.1110.4N47 V51 N126 H144N47-R49 PolarHBondContact O-N 3.15Å; R49-V51 HydrophobicContact CG-CG2 4.19Å; R49-N126 WeakPolarHBondContact CA-OD1 3.47Å; R49-H144 HydrophobicContact CB-CB 4.48Å
50I84.4Confident80.5Confident21 Ų2182.7 Ų82.711%0.10839%0.387CS..  trans-87.4135.1169.1-65.5-59.9000109.9N126 R252 G270 M271 A276I50-N126 PolarHBondContact N-OD1 3.41Å; I50-N126 PolarHBondContact O-ND2 3.03Å; I50-R252 VanDerWaalsContact CD1-NH1 3.28Å; I50-R252 VanDerWaalsContact CG1-NH1 3.31Å; I50-G270 WeakPolarHBondContact CD1-O 3.46Å; I50-M271 HydrophobicContact CD1-SD 4.12Å; I50-A276 HydrophobicContact CD1-CB 4.15Å
51V83.5Confident82.1Confident64 Ų6485 Ų8539%0.38840%0.403SS..  trans-134.5101.6176.9-174.20000107.9R49 S53R49-V51 HydrophobicContact CG-CG2 4.19Å; V51-S53 WeakPolarHBondContact CG1-OG 3.24Å
52S76.2Confident83.8Confident29 Ų2983.7 Ų83.720%0.20340%0.402CS..  trans-96.5-15.8173.872.60000112.8D122S52-D122 VanDerWaalsContact CB-OD1 3.3Å; S52-D122 WeakPolarHBondContact CB-OD1 3.36Å; S52-D122 PolarHBondContact N-OD1 3.28Å; S52-D122 PolarHBondContact N-OD2 3.24Å; S52-D122 PolarHBondContact OG-OD1 3.18Å; S52-D122 PolarHBondContact OG-OD2 3.28Å; S52-D122 VanDerWaalsContact OG-OD2 3.12Å
53S79.6Confident85.2Confident17 Ų1782.4 Ų82.412%0.11939%0.385CS..  trans-61.6145.1175.449.80000113.5V51 H119 D122V51-S53 WeakPolarHBondContact CG1-OG 3.24Å; S53-H119 WeakPolarHBondContact CB-CE1 3.46Å; S53-H119 WeakPolarHBondContact CB-NE2 3.37Å; S53-H119 PolarHBondContact OG-CE1 3.49Å; S53-H119 PolarHBondContact OG-ND1 2.9Å; S53-H119 PolarHBondContact OG-NE2 2.94Å; S53-D122 PolarHBondContact N-OD2 3.46Å
54K76.7Confident86.2Confident73 Ų7380.3 Ų80.332%0.31738%0.375SS..SBendtrans-86.3-30.8178.7-73-176.6178.3-1790112.3K63 D115K54-K63 PolarHBondContact O-NZ 3.17Å; K54-D115 PolarHBondContact N-OD1 2.8Å; K54-D115 PolarHBondContact N-OD2 3.33Å
55Y83.8Confident86.8Confident12 Ų1271.6 Ų71.65%0.04735%0.347CS..  trans-116.3146.1-176.3-47.2-74.5000110.3N59 F60 K63 N64 E67 D115 H119Y55-N59 WeakPolarHBondContact CA-OD1 3.47Å; Y55-F60 HydrophobicContact CD1-CD2 4.32Å; Y55-F60 AromaticContact CD2-CD2 3.87Å; Y55-F60 HydrophobicContact CD2-CD2 3.87Å; Y55-F60 HydrophobicContact CD2-CE2 4.09Å; Y55-F60 HydrophobicContact CE2-CE2 4.46Å; Y55-F60 AromaticContact CG-CD2 3.73Å; Y55-F60 HydrophobicContact CG-CD2 3.73Å; Y55-F60 HydrophobicContact CG-CE2 4.38Å; Y55-K63 HydrophobicContact CD1-CB 4.19Å; Y55-K63 HydrophobicContact CD1-CD 3.95Å; Y55-K63 HydrophobicContact CD1-CG 4.18Å; Y55-K63 HydrophobicContact CE1-CB 4.33Å; Y55-K63 HydrophobicContact CE1-CD 4.16Å; Y55-K63 HydrophobicContact CE1-CG 4.06Å; Y55-N64 HydrophobicContact CE1-CB 4.43Å; Y55-E67 PolarHBondContact OH-OE2 3.27Å; Y55-D115 WeakPolarHBondContact CB-OD2 3.47Å; Y55-D115 HydrophobicContact CD2-CB 3.81Å; Y55-D115 WeakPolarHBondContact CD2-OD2 3.29Å; Y55-D115 HydrophobicContact CE2-CB 4.39Å; Y55-D115 PolarHBondContact N-OD2 2.85Å; Y55-H119 PolarHBondContact O-CE1 3.49Å; Y55-H119 PolarHBondContact O-NE2 2.92Å
56T87.7Confident86.9Confident68 Ų6875.7 Ų75.742%0.41737%0.366SS..  trans-99.9161.4163.869.10000108.4W58 N59 F60T56-W58 PolarHBondContact O-N 2.77Å; T56-W58 VanDerWaalsContact O-N 3.13Å; T56-N59 PolarHBondContact N-OD1 3Å; T56-N59 PolarHBondContact O-N 3.18Å; T56-N59 PolarHBondContact O-OD1 2.92Å; T56-N59 PolarHBondContact OG1-N 2.92Å; T56-N59 PolarHBondContact OG1-ND2 2.75Å; T56-N59 PolarHBondContact OG1-OD1 2.97Å; T56-F60 WeakPolarHBondContact O-CB 3.49Å; T56-F60 PolarHBondContact O-N 3.06Å
57F86.3Confident86.8Confident183 Ų18375.6 Ų75.680%0.80336%0.362SS*.THydrogen-bonded Turntrans-51-40.1177.8-176.7-99.7000113
58W89.5Confident86.5Confident220 Ų22070.1 Ų70.183%0.83333%0.333SS*.THydrogen-bonded Turntrans-80-40-179.2-67107.6000114.1T56 F60T56-W58 PolarHBondContact O-N 2.77Å; T56-W58 VanDerWaalsContact O-N 3.13Å; W58-F60 VanDerWaalsContact C-N 3.33Å
59N91.4Very high86.3Confident56 Ų5672.6 Ų72.630%0.29934%0.343SS..THydrogen-bonded Turntrans-87.3-5.4-176.179.615.2000113.2Y55 T56 P62 K63Y55-N59 WeakPolarHBondContact CA-OD1 3.47Å; T56-N59 PolarHBondContact N-OD1 3Å; T56-N59 PolarHBondContact O-N 3.18Å; T56-N59 PolarHBondContact O-OD1 2.92Å; T56-N59 PolarHBondContact OG1-N 2.92Å; T56-N59 PolarHBondContact OG1-ND2 2.75Å; T56-N59 PolarHBondContact OG1-OD1 2.97Å; N59-P62 WeakPolarHBondContact O-CD 3.41Å; N59-K63 WeakPolarHBondContact O-CB 3.32Å; N59-K63 PolarHBondContact O-N 3.02Å
60F90.6Very high86Confident47 Ų4772.9 Ų72.921%0.20634%0.344CS..Hα-helixtrans-53.9-59.8-178.3177.9-103.1000110.9Y55 T56 W58 N64 A108Y55-F60 HydrophobicContact CD1-CD2 4.32Å; Y55-F60 AromaticContact CD2-CD2 3.87Å; Y55-F60 HydrophobicContact CD2-CD2 3.87Å; Y55-F60 HydrophobicContact CD2-CE2 4.09Å; Y55-F60 HydrophobicContact CE2-CE2 4.46Å; Y55-F60 AromaticContact CG-CD2 3.73Å; Y55-F60 HydrophobicContact CG-CD2 3.73Å; Y55-F60 HydrophobicContact CG-CE2 4.38Å; T56-F60 WeakPolarHBondContact O-CB 3.49Å; T56-F60 PolarHBondContact O-N 3.06Å; W58-F60 VanDerWaalsContact C-N 3.33Å; F60-N64 HydrophobicContact CE2-CB 4.43Å; F60-N64 WeakPolarHBondContact O-CA 3.25Å; F60-N64 WeakPolarHBondContact O-CB 3.09Å; F60-N64 PolarHBondContact O-N 3.2Å; F60-A108 HydrophobicContact CZ-CB 4.48Å; F60-A108 WeakPolarHBondContact CZ-O 3.47Å
61I90.8Very high85.8Confident114 Ų11474.8 Ų74.859%0.58535%0.35SS*.Hα-helixtrans-60.8-53.3-175.1-59.5172.8000112K63 L65I61-K63 PolarHBondContact O-N 3.17Å; I61-L65 HydrophobicContact CG2-CD1 3.72Å; I61-L65 HydrophobicContact CG2-CG 4.29Å; I61-L65 WeakPolarHBondContact O-CB 3.13Å; I61-L65 VanDerWaalsContact O-CG 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 3.13Å
62P92.1Very high85.7Confident88 Ų8876.1 Ų76.157%0.57135%0.354SS*.Hα-helixtrans-64-41.8-176.9-22.934.8000113.4N59 F66N59-P62 WeakPolarHBondContact O-CD 3.41Å; P62-F66 WeakPolarHBondContact O-CB 3.47Å; P62-F66 PolarHBondContact O-N 3.38Å; P62-F66 VanDerWaalsContact O-N 3.12Å
63K87.8Confident85.9Confident83 Ų8374.8 Ų74.836%0.36135%0.345SS..Hα-helixtrans-73.1-41.3-178.4-169.6175.5173.8-174.90111.4K54 Y55 N59 I61 F66 E67K54-K63 PolarHBondContact O-NZ 3.17Å; Y55-K63 HydrophobicContact CD1-CB 4.19Å; Y55-K63 HydrophobicContact CD1-CD 3.95Å; Y55-K63 HydrophobicContact CD1-CG 4.18Å; Y55-K63 HydrophobicContact CE1-CB 4.33Å; Y55-K63 HydrophobicContact CE1-CD 4.16Å; Y55-K63 HydrophobicContact CE1-CG 4.06Å; N59-K63 WeakPolarHBondContact O-CB 3.32Å; N59-K63 PolarHBondContact O-N 3.02Å; I61-K63 PolarHBondContact O-N 3.17Å; K63-F66 PolarHBondContact O-N 3.4Å; K63-E67 WeakPolarHBondContact CE-OE1 3.39Å; K63-E67 WeakPolarHBondContact O-CB 3.27Å; K63-E67 WeakPolarHBondContact O-CG 3.26Å; K63-E67 PolarHBondContact O-N 3.39Å
64N88.6Confident86.3Confident2 Ų274 Ų741%0.01134%0.34CS..Hα-helixtrans-63.4-48.9177.9-169.8-87.8000111.3Y55 F60 F66 E67 Q68 Q111Y55-N64 HydrophobicContact CE1-CB 4.43Å; F60-N64 HydrophobicContact CE2-CB 4.43Å; F60-N64 WeakPolarHBondContact O-CA 3.25Å; F60-N64 WeakPolarHBondContact O-CB 3.09Å; F60-N64 PolarHBondContact O-N 3.2Å; N64-F66 VanDerWaalsContact C-N 3.33Å; N64-F66 PolarHBondContact O-N 2.9Å; N64-E67 PolarHBondContact O-N 3.43Å; N64-Q68 WeakPolarHBondContact O-CG 3.21Å; N64-Q68 PolarHBondContact O-N 2.74Å; N64-Q68 PolarHBondContact OD1-NE2 2.71Å; N64-Q111 PolarHBondContact ND2-OE1 3.15Å
65L89Confident86.8Confident62 Ų6276.1 Ų76.133%0.32535%0.349SS..Hα-helixtrans-59.8-43.4176.2-71.4176.3000111.7I61 E67 Q68 F69 I104I61-L65 HydrophobicContact CG2-CD1 3.72Å; I61-L65 HydrophobicContact CG2-CG 4.29Å; I61-L65 WeakPolarHBondContact O-CB 3.13Å; I61-L65 VanDerWaalsContact O-CG 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 3.13Å; L65-E67 PolarHBondContact O-N 3.03Å; L65-Q68 PolarHBondContact O-N 2.83Å; L65-F69 HydrophobicContact CB-CD2 4.44Å; L65-F69 HydrophobicContact CD2-CE2 4.21Å; L65-F69 WeakPolarHBondContact O-CD2 3.37Å; L65-F69 PolarHBondContact O-N 2.74Å; L65-I104 HydrophobicContact CD2-CG2 3.55Å
66F88.2Confident87Confident148 Ų14876.8 Ų76.865%0.64935%0.351SS*.Hα-helixtrans-60.3-44.3176.4-179-98.3000112.2P62 K63 N64 F69 R70P62-F66 WeakPolarHBondContact O-CB 3.47Å; P62-F66 PolarHBondContact O-N 3.38Å; P62-F66 VanDerWaalsContact O-N 3.12Å; K63-F66 PolarHBondContact O-N 3.4Å; N64-F66 VanDerWaalsContact C-N 3.33Å; N64-F66 PolarHBondContact O-N 2.9Å; F66-F69 PolarHBondContact O-N 2.9Å; F66-R70 PolarHBondContact O-N 3.29Å
67E83.4Confident87.1Confident44 Ų4473.9 Ų73.921%0.20633%0.333CS..Hα-helixtrans-64.6-39177.3-74.7175.6-172.100112.4Y55 K63 N64 L65Y55-E67 PolarHBondContact OH-OE2 3.27Å; K63-E67 WeakPolarHBondContact CE-OE1 3.39Å; K63-E67 WeakPolarHBondContact O-CB 3.27Å; K63-E67 WeakPolarHBondContact O-CG 3.26Å; K63-E67 PolarHBondContact O-N 3.39Å; N64-E67 PolarHBondContact O-N 3.43Å; L65-E67 PolarHBondContact O-N 3.03Å
68Q85.1Confident87.3Confident1 Ų167.6 Ų67.61%0.00531%0.307CS..Hα-helixtrans-68.9-42.8177.1-70-166.13200112.6N64 L65 R70 R71 N74 I104 T107N64-Q68 WeakPolarHBondContact O-CG 3.21Å; N64-Q68 PolarHBondContact O-N 2.74Å; N64-Q68 PolarHBondContact OD1-NE2 2.71Å; L65-Q68 PolarHBondContact O-N 2.83Å; Q68-R70 VanDerWaalsContact C-N 3.29Å; Q68-R70 PolarHBondContact O-N 3.09Å; Q68-R71 WeakPolarHBondContact O-CB 3.49Å; Q68-R71 PolarHBondContact O-N 3.08Å; Q68-N74 WeakPolarHBondContact O-CB 3.41Å; Q68-N74 PolarHBondContact O-ND2 3.39Å; Q68-I104 HydrophobicContact CB-CD1 4.12Å; Q68-I104 PolarHBondContact NE2-O 3.04Å; Q68-I104 VanDerWaalsContact OE1-CA 3.27Å; Q68-I104 PolarHBondContact OE1-O 3.43Å; Q68-T107 HydrophobicContact CG-CG2 4.19Å
69F87.4Confident87.3Confident51 Ų5160 Ų6022%0.22429%0.285CS..Hα-helixtrans-78.4-9.6178.7-74.1-61.4000114L65 F66 R71 N74 L78 L100 I104L65-F69 HydrophobicContact CB-CD2 4.44Å; L65-F69 HydrophobicContact CD2-CE2 4.21Å; L65-F69 WeakPolarHBondContact O-CD2 3.37Å; L65-F69 PolarHBondContact O-N 2.74Å; F66-F69 PolarHBondContact O-N 2.9Å; F69-R71 PolarHBondContact O-N 3.22Å; F69-N74 HydrophobicContact CD1-CB 3.97Å; F69-N74 HydrophobicContact CE1-CB 4.35Å; F69-L78 HydrophobicContact CD1-CB 4.21Å; F69-L78 HydrophobicContact CD1-CD2 4.01Å; F69-L78 HydrophobicContact CE1-CB 3.86Å; F69-L78 HydrophobicContact CE1-CD1 4.41Å; F69-L78 HydrophobicContact CE1-CD2 4.03Å; F69-L78 HydrophobicContact CE1-CG 4.33Å; F69-L78 HydrophobicContact CG-CD2 4.4Å; F69-L78 HydrophobicContact CZ-CD1 4.43Å; F69-L78 HydrophobicContact CZ-CD2 4.4Å; F69-L100 HydrophobicContact CE1-CD1 4.49Å; F69-I104 HydrophobicContact CE1-CD1 4.21Å; F69-I104 HydrophobicContact CZ-CD1 4.14Å; F69-I104 HydrophobicContact CZ-CG1 4.29Å
70R83.8Confident87.3Confident148 Ų14857.7 Ų57.756%0.55827%0.273SS*.THydrogen-bonded Turntrans-65.5-17.1166-166176.165.6159.4-2.1112.3F66 Q68F66-R70 PolarHBondContact O-N 3.29Å; Q68-R70 VanDerWaalsContact C-N 3.29Å; Q68-R70 PolarHBondContact O-N 3.09Å
71R80.6Confident87.3Confident61 Ų6158.3 Ų58.323%0.2328%0.275CS..SBendtrans-77.3132.1174.4-61.2179.6177176.3-4.5110.4Q68 F69 A73 N74 F75 E369Q68-R71 WeakPolarHBondContact O-CB 3.49Å; Q68-R71 PolarHBondContact O-N 3.08Å; F69-R71 PolarHBondContact O-N 3.22Å; R71-A73 VanDerWaalsContact C-N 3.3Å; R71-A73 PolarHBondContact O-N 3.43Å; R71-N74 HydrophobicContact CB-CB 4.45Å; R71-N74 PolarHBondContact O-N 3Å; R71-F75 PolarHBondContact O-N 3.28Å; R71-E369 IonicContact CZ-OE1 3.89Å; R71-E369 IonicContact NH1-OE1 2.64Å; R71-E369 PolarHBondContact NH1-OE1 3.19Å; R71-E369 IonicContact NH1-OE2 2.62Å; R71-E369 IonicContact NH2-OE1 2.7Å; R71-E369 PolarHBondContact NH2-OE1 3.11Å
72I81.5Confident87.4Confident92 Ų9256.9 Ų56.947%0.47227%0.268SS..Hα-helixtrans-54.6-44.5-174-61.1171.1000111.7F75 Y76 L297I72-F75 PolarHBondContact O-N 3.48Å; I72-Y76 WeakPolarHBondContact O-CB 3.29Å; I72-Y76 PolarHBondContact O-N 2.81Å; I72-L297 HydrophobicContact CG2-CD2 3.9Å
73A81.1Confident87.3Confident0 Ų054 Ų540%025%0.249CC..Hα-helixtrans-65.9-47.3-178.400000113R71 F75 Y76 F77 L297 Y365R71-A73 VanDerWaalsContact C-N 3.3Å; R71-A73 PolarHBondContact O-N 3.43Å; A73-F75 VanDerWaalsContact C-N 3.29Å; A73-F75 PolarHBondContact O-N 2.86Å; A73-Y76 WeakPolarHBondContact O-CB 3.49Å; A73-Y76 PolarHBondContact O-N 2.87Å; A73-Y76 VanDerWaalsContact O-N 3.16Å; A73-F77 HydrophobicContact CB-CE2 4.38Å; A73-F77 WeakPolarHBondContact O-CD2 3.29Å; A73-F77 PolarHBondContact O-N 2.93Å; A73-L297 HydrophobicContact CB-CD1 3.73Å; A73-Y365 HydrophobicContact CB-CD2 3.84Å; A73-Y365 HydrophobicContact CB-CE2 3.19Å
74N86.3Confident87.4Confident2 Ų250.2 Ų50.21%0.01123%0.233CC..Hα-helixtrans-62.5-40.1178.9-71.4-12.4000111.2Q68 F69 R71 F77 L78 I104Q68-N74 WeakPolarHBondContact O-CB 3.41Å; Q68-N74 PolarHBondContact O-ND2 3.39Å; F69-N74 HydrophobicContact CD1-CB 3.97Å; F69-N74 HydrophobicContact CE1-CB 4.35Å; R71-N74 HydrophobicContact CB-CB 4.45Å; R71-N74 PolarHBondContact O-N 3Å; N74-F77 PolarHBondContact O-N 2.95Å; N74-L78 PolarHBondContact O-N 3Å; N74-I104 HydrophobicContact CB-CD1 4.45Å
75F88.3Confident87.5Confident117 Ų11755 Ų5551%0.51326%0.258SS..Hα-helixtrans-63.3-43.9173.7-175.4-106.7000112.1R71 I72 A73 F77 L78 V79R71-F75 PolarHBondContact O-N 3.28Å; I72-F75 PolarHBondContact O-N 3.48Å; A73-F75 VanDerWaalsContact C-N 3.29Å; A73-F75 PolarHBondContact O-N 2.86Å; F75-F77 PolarHBondContact O-N 2.94Å; F75-L78 WeakPolarHBondContact O-CB 3.32Å; F75-L78 PolarHBondContact O-N 3.41Å; F75-V79 HydrophobicContact CD1-CG2 4.36Å; F75-V79 HydrophobicContact CE1-CG2 3.96Å; F75-V79 HydrophobicContact CZ-CG2 4.04Å; F75-V79 WeakPolarHBondContact O-CG2 3.48Å; F75-V79 PolarHBondContact O-N 3.14Å
76Y88.7Confident87.5Confident25 Ų2558.8 Ų58.810%0.09828%0.277CS..Hα-helixtrans-57.5-47.2175.3161.9-97.5000112I72 A73 L78 V79 I80 L301 L304 I360I72-Y76 WeakPolarHBondContact O-CB 3.29Å; I72-Y76 PolarHBondContact O-N 2.81Å; A73-Y76 WeakPolarHBondContact O-CB 3.49Å; A73-Y76 PolarHBondContact O-N 2.87Å; A73-Y76 VanDerWaalsContact O-N 3.16Å; Y76-L78 VanDerWaalsContact C-N 3.32Å; Y76-L78 PolarHBondContact O-N 2.86Å; Y76-V79 WeakPolarHBondContact O-CB 3.46Å; Y76-V79 PolarHBondContact O-N 2.86Å; Y76-I80 HydrophobicContact CD2-CG1 4.24Å; Y76-I80 HydrophobicContact CE1-CG1 4.15Å; Y76-I80 HydrophobicContact CE2-CD1 3.96Å; Y76-I80 HydrophobicContact CE2-CG1 3.69Å; Y76-I80 WeakPolarHBondContact O-CG1 3.43Å; Y76-I80 PolarHBondContact O-N 2.85Å; Y76-L301 HydrophobicContact CD2-CD1 4.06Å; Y76-L301 HydrophobicContact CE2-CD1 3.95Å; Y76-L304 HydrophobicContact CE2-CD2 4.01Å; Y76-L304 WeakPolarHBondContact OH-CD2 3.46Å; Y76-I360 HydrophobicContact CD1-CD1 4.12Å; Y76-I360 HydrophobicContact CE1-CB 4.1Å; Y76-I360 HydrophobicContact CE1-CD1 3.7Å; Y76-I360 HydrophobicContact CE1-CG1 4.35Å; Y76-I360 HydrophobicContact CE1-CG2 4.41Å; Y76-I360 HydrophobicContact CE2-CD1 4.26Å
77F88.6Confident87.5Confident8 Ų853 Ų534%0.03525%0.253CS..Hα-helixtrans-67-33.1178.5-68.6-58.4000113.1A73 N74 F75 I80 F81 L100 I360 V362A73-F77 HydrophobicContact CB-CE2 4.38Å; A73-F77 WeakPolarHBondContact O-CD2 3.29Å; A73-F77 PolarHBondContact O-N 2.93Å; N74-F77 PolarHBondContact O-N 2.95Å; F75-F77 PolarHBondContact O-N 2.94Å; F77-I80 PolarHBondContact O-N 2.99Å; F77-F81 WeakPolarHBondContact O-CB 3.4Å; F77-F81 PolarHBondContact O-N 3.35Å; F77-L100 HydrophobicContact CB-CD1 3.92Å; F77-L100 HydrophobicContact CB-CD2 4.16Å; F77-L100 HydrophobicContact CB-CG 4.48Å; F77-I360 HydrophobicContact CE1-CB 4.47Å; F77-I360 HydrophobicContact CE1-CG2 4.5Å; F77-I360 HydrophobicContact CE2-CG2 4.27Å; F77-I360 HydrophobicContact CZ-CB 4.06Å; F77-I360 HydrophobicContact CZ-CG2 3.68Å; F77-I360 WeakPolarHBondContact CZ-O 3.18Å; F77-V362 HydrophobicContact CD1-CG2 3.58Å; F77-V362 HydrophobicContact CD2-CB 4.44Å; F77-V362 HydrophobicContact CD2-CG1 4.17Å; F77-V362 HydrophobicContact CD2-CG2 4.16Å; F77-V362 HydrophobicContact CE1-CB 4.21Å; F77-V362 HydrophobicContact CE1-CG2 3.15Å; F77-V362 HydrophobicContact CE2-CB 4Å; F77-V362 HydrophobicContact CE2-CG1 4.18Å; F77-V362 HydrophobicContact CE2-CG2 3.81Å; F77-V362 HydrophobicContact CG-CG1 4.48Å; F77-V362 HydrophobicContact CG-CG2 4.07Å; F77-V362 HydrophobicContact CZ-CB 3.86Å; F77-V362 HydrophobicContact CZ-CG1 4.47Å; F77-V362 HydrophobicContact CZ-CG2 3.28Å
78L90.2Very high87.4Confident50 Ų5058.6 Ų58.626%0.26228%0.284SS..Hα-helixtrans-61.6-45.1171.5-179.664.3000111.1F69 N74 F75 Y76 I80 F81 L82 L100F69-L78 HydrophobicContact CD1-CB 4.21Å; F69-L78 HydrophobicContact CD1-CD2 4.01Å; F69-L78 HydrophobicContact CE1-CB 3.86Å; F69-L78 HydrophobicContact CE1-CD1 4.41Å; F69-L78 HydrophobicContact CE1-CD2 4.03Å; F69-L78 HydrophobicContact CE1-CG 4.33Å; F69-L78 HydrophobicContact CG-CD2 4.4Å; F69-L78 HydrophobicContact CZ-CD1 4.43Å; F69-L78 HydrophobicContact CZ-CD2 4.4Å; N74-L78 PolarHBondContact O-N 3Å; F75-L78 WeakPolarHBondContact O-CB 3.32Å; F75-L78 PolarHBondContact O-N 3.41Å; Y76-L78 VanDerWaalsContact C-N 3.32Å; Y76-L78 PolarHBondContact O-N 2.86Å; L78-I80 PolarHBondContact O-N 3.29Å; L78-F81 PolarHBondContact O-N 2.76Å; L78-L82 HydrophobicContact CG-CD1 4.36Å; L78-L82 WeakPolarHBondContact O-CG 3.21Å; L78-L82 PolarHBondContact O-N 2.84Å; L78-L100 HydrophobicContact CB-CD2 4.49Å
79V90.9Very high87.4Confident60 Ų6059.9 Ų59.936%0.36429%0.292SS..Hα-helixtrans-60.6-46176.6172.10000110.9F75 Y76 F81 L82 V83F75-V79 HydrophobicContact CD1-CG2 4.36Å; F75-V79 HydrophobicContact CE1-CG2 3.96Å; F75-V79 HydrophobicContact CZ-CG2 4.04Å; F75-V79 WeakPolarHBondContact O-CG2 3.48Å; F75-V79 PolarHBondContact O-N 3.14Å; Y76-V79 WeakPolarHBondContact O-CB 3.46Å; Y76-V79 PolarHBondContact O-N 2.86Å; V79-F81 VanDerWaalsContact C-N 3.34Å; V79-F81 PolarHBondContact O-N 3.06Å; V79-L82 PolarHBondContact O-N 3.01Å; V79-V83 HydrophobicContact CG1-CG2 4.46Å; V79-V83 VanDerWaalsContact O-CG2 3.31Å; V79-V83 WeakPolarHBondContact O-CG2 3.01Å; V79-V83 PolarHBondContact O-N 3.35Å
80I90.6Very high87Confident9 Ų959.7 Ų59.75%0.04630%0.296CS..Hα-helixtrans-62.7-40.6178.2-67.8-66.3000112Y76 F77 L78 V83 Q84 V354 N357Y76-I80 HydrophobicContact CD2-CG1 4.24Å; Y76-I80 HydrophobicContact CE1-CG1 4.15Å; Y76-I80 HydrophobicContact CE2-CD1 3.96Å; Y76-I80 HydrophobicContact CE2-CG1 3.69Å; Y76-I80 WeakPolarHBondContact O-CG1 3.43Å; Y76-I80 PolarHBondContact O-N 2.85Å; F77-I80 PolarHBondContact O-N 2.99Å; L78-I80 PolarHBondContact O-N 3.29Å; I80-V83 PolarHBondContact O-N 2.99Å; I80-Q84 PolarHBondContact O-N 3.01Å; I80-V354 HydrophobicContact CG2-CG2 4.45Å; I80-N357 HydrophobicContact CG2-CB 4.02Å; I80-N357 VanDerWaalsContact CG2-ND2 3.25Å; I80-N357 WeakPolarHBondContact CG2-ND2 3.41Å
81F91.1Very high87Confident59 Ų5952.7 Ų52.726%0.25927%0.27SS..Hα-helixtrans-62.8-43.6175.1176.5-116.6000111.8F77 L78 V79 V83 Q84 L85 P93F77-F81 WeakPolarHBondContact O-CB 3.4Å; F77-F81 PolarHBondContact O-N 3.35Å; L78-F81 PolarHBondContact O-N 2.76Å; V79-F81 VanDerWaalsContact C-N 3.34Å; V79-F81 PolarHBondContact O-N 3.06Å; F81-V83 VanDerWaalsContact C-N 3.34Å; F81-V83 PolarHBondContact O-N 2.88Å; F81-Q84 PolarHBondContact O-N 2.79Å; F81-L85 HydrophobicContact CD1-CD1 4.27Å; F81-L85 HydrophobicContact CE1-CD1 3.75Å; F81-L85 HydrophobicContact CE2-CD1 4.32Å; F81-L85 HydrophobicContact CE2-CD2 4.43Å; F81-L85 HydrophobicContact CE2-CG 4.35Å; F81-L85 HydrophobicContact CZ-CD1 3.78Å; F81-L85 HydrophobicContact CZ-CD2 4.42Å; F81-L85 HydrophobicContact CZ-CG 4.29Å; F81-L85 WeakPolarHBondContact O-CG 3.45Å; F81-L85 PolarHBondContact O-N 3.46Å; F81-P93 HydrophobicContact CE2-CB 4.4Å
82L91.4Very high87.2Confident84 Ų8452.4 Ų52.444%0.4428%0.277SS..Hα-helixtrans-63.2-39.9175.1-68.5173.9000112L78 V79 Q84 L85 I86L78-L82 HydrophobicContact CG-CD1 4.36Å; L78-L82 WeakPolarHBondContact O-CG 3.21Å; L78-L82 PolarHBondContact O-N 2.84Å; V79-L82 PolarHBondContact O-N 3.01Å; L82-Q84 VanDerWaalsContact C-N 3.33Å; L82-Q84 PolarHBondContact O-N 2.87Å; L82-L85 PolarHBondContact O-N 3.23Å; L82-L85 VanDerWaalsContact O-N 3.16Å; L82-I86 VanDerWaalsContact O-CG1 3.32Å; L82-I86 WeakPolarHBondContact O-CG1 3.38Å; L82-I86 PolarHBondContact O-N 3.11Å; L82-I86 VanDerWaalsContact O-N 3.11Å
83V91.1Very high87.5Confident27 Ų2750.1 Ų50.116%0.16427%0.268CS..Hα-helixtrans-60.9-42.1175.61700000111.3V79 I80 F81 L85 I86 I87 L350 V354V79-V83 HydrophobicContact CG1-CG2 4.46Å; V79-V83 VanDerWaalsContact O-CG2 3.31Å; V79-V83 WeakPolarHBondContact O-CG2 3.01Å; V79-V83 PolarHBondContact O-N 3.35Å; I80-V83 PolarHBondContact O-N 2.99Å; F81-V83 VanDerWaalsContact C-N 3.34Å; F81-V83 PolarHBondContact O-N 2.88Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 2.89Å; V83-I86 PolarHBondContact O-N 3.23Å; V83-I87 HydrophobicContact CG1-CD1 4.19Å; V83-I87 PolarHBondContact O-N 3.26Å; V83-L350 HydrophobicContact CG1-CB 4.18Å; V83-V354 HydrophobicContact CG1-CG2 3.91Å
84Q90.4Very high87.7Confident5 Ų554.2 Ų54.22%0.02329%0.293CS..Hα-helixtrans-64.3-27.2175.6-78.4179.9-1900114I80 F81 L82 T89 T91 P93 S96 V354I80-Q84 PolarHBondContact O-N 3.01Å; F81-Q84 PolarHBondContact O-N 2.79Å; L82-Q84 VanDerWaalsContact C-N 3.33Å; L82-Q84 PolarHBondContact O-N 2.87Å; Q84-T89 HydrophobicContact CG-CG2 4.46Å; Q84-T91 PolarHBondContact NE2-OG1 2.76Å; Q84-P93 HydrophobicContact CB-CB 4.32Å; Q84-P93 HydrophobicContact CB-CG 4.36Å; Q84-S96 PolarHBondContact NE2-OG 2.95Å; Q84-S96 VanDerWaalsContact OE1-CB 3.22Å; Q84-S96 PolarHBondContact OE1-OG 3.11Å; Q84-V354 HydrophobicContact CG-CB 4.46Å; Q84-V354 HydrophobicContact CG-CG1 3.63Å; Q84-V354 HydrophobicContact CG-CG2 3.93Å
85L90.4Very high87.5Confident102 Ų10254.3 Ų54.353%0.53429%0.293SS..Hα-helixtrans-81.2-29.7176.9-68.2176.3000112.9F81 L82 V83 P93F81-L85 HydrophobicContact CD1-CD1 4.27Å; F81-L85 HydrophobicContact CE1-CD1 3.75Å; F81-L85 HydrophobicContact CE2-CD1 4.32Å; F81-L85 HydrophobicContact CE2-CD2 4.43Å; F81-L85 HydrophobicContact CE2-CG 4.35Å; F81-L85 HydrophobicContact CZ-CD1 3.78Å; F81-L85 HydrophobicContact CZ-CD2 4.42Å; F81-L85 HydrophobicContact CZ-CG 4.29Å; F81-L85 WeakPolarHBondContact O-CG 3.45Å; F81-L85 PolarHBondContact O-N 3.46Å; L82-L85 PolarHBondContact O-N 3.23Å; L82-L85 VanDerWaalsContact O-N 3.16Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 2.89Å; L85-P93 HydrophobicContact CD2-CB 3.96Å; L85-P93 HydrophobicContact CD2-CG 4.2Å
86I89Confident87.2Confident141 Ų14149.1 Ų49.172%0.72327%0.271SS*.Hα-helixtrans-87.3-31.8-176.4-65.4166.7000111.5L82 V83L82-I86 VanDerWaalsContact O-CG1 3.32Å; L82-I86 WeakPolarHBondContact O-CG1 3.38Å; L82-I86 PolarHBondContact O-N 3.11Å; L82-I86 VanDerWaalsContact O-N 3.11Å; V83-I86 PolarHBondContact O-N 3.23Å
87I87.2Confident87.1Confident27 Ų2748.5 Ų48.514%0.13827%0.273CS..SBendtrans-118.1141.1-171.2-58-178.6000110.6V83 T89 T347 L350V83-I87 HydrophobicContact CG1-CD1 4.19Å; V83-I87 PolarHBondContact O-N 3.26Å; I87-T89 HydrophobicContact CB-CG2 4.26Å; I87-T89 HydrophobicContact CG2-CG2 4.22Å; I87-T89 PolarHBondContact O-N 3.25Å; I87-T347 HydrophobicContact CG2-CG2 3.5Å; I87-T347 VanDerWaalsContact CG2-CG2 3.5Å; I87-L350 HydrophobicContact CD1-CB 3.98Å; I87-L350 HydrophobicContact CD1-CD1 3.33Å; I87-L350 HydrophobicContact CD1-CG 4.31Å
88D81.4Confident87Confident162 Ų16252.4 Ų52.487%0.86629%0.294SS*.  trans-63.5103166.8-67.9-38.6000109.9
89T85.3Confident86.7Confident28 Ų2850.6 Ų50.617%0.17229%0.285CS..  trans-111.2154.2-175.347.90000110.8Q84 I87 T91 V354Q84-T89 HydrophobicContact CG-CG2 4.46Å; I87-T89 HydrophobicContact CB-CG2 4.26Å; I87-T89 HydrophobicContact CG2-CG2 4.22Å; I87-T89 PolarHBondContact O-N 3.25Å; T89-T91 PolarHBondContact O-N 2.87Å; T89-T91 PolarHBondContact OG1-O 2.9Å; T89-V354 HydrophobicContact CG2-CB 4.27Å; T89-V354 HydrophobicContact CG2-CG1 4.25Å; T89-V354 HydrophobicContact CG2-CG2 4.02Å
90P78.9Confident86.5Confident46 Ų4648.2 Ų48.230%0.29927%0.27SS..SBendtrans-68-18.2-174.326.8-36.3000113.7L355 Q904P90-L355 HydrophobicContact CB-CD1 4.49Å; P90-L355 HydrophobicContact CG-CB 4.45Å; P90-L355 HydrophobicContact CG-CD1 3.98Å; P90-Q904 HydrophobicContact CB-CB 4.4Å; P90-Q904 WeakPolarHBondContact CB-O 3.4Å; P90-Q904 HydrophobicContact CG-CB 4.22Å
91T84.3Confident86.4Confident2 Ų254.7 Ų54.71%0.01230%0.298CS..SBendtrans-115.2140.3-179.355.30000110.3Q84 T89 V354 L355 L913Q84-T91 PolarHBondContact NE2-OG1 2.76Å; T89-T91 PolarHBondContact O-N 2.87Å; T89-T91 PolarHBondContact OG1-O 2.9Å; T91-V354 WeakPolarHBondContact OG1-CG1 3.28Å; T91-L355 HydrophobicContact CG2-CD1 4.48Å; T91-L913 HydrophobicContact CG2-CD1 3.88Å
92S85.2Confident86.2Confident55 Ų5556.5 Ų56.539%0.38531%0.306SS..  trans-60142.8177.11740000112V94 T95S92-V94 PolarHBondContact O-N 3.25Å; S92-V94 PolarHBondContact OG-N 3.19Å; S92-T95 WeakPolarHBondContact O-CB 3.32Å; S92-T95 WeakPolarHBondContact O-CG2 3.39Å; S92-T95 PolarHBondContact O-N 2.93Å; S92-T95 PolarHBondContact O-OG1 2.89Å
93P86.4Confident85.8Confident43 Ų4352.7 Ų52.728%0.27929%0.286SS..THydrogen-bonded Turntrans-55.3-26.7176.2-26.834.4000114.5F81 Q84 L85 T95 S96 G97F81-P93 HydrophobicContact CE2-CB 4.4Å; Q84-P93 HydrophobicContact CB-CB 4.32Å; Q84-P93 HydrophobicContact CB-CG 4.36Å; L85-P93 HydrophobicContact CD2-CB 3.96Å; L85-P93 HydrophobicContact CD2-CG 4.2Å; P93-T95 PolarHBondContact O-N 3.38Å; P93-S96 PolarHBondContact O-N 2.8Å; P93-G97 PolarHBondContact O-N 2.99Å
94V85Confident85.7Confident87 Ų8752.1 Ų52.153%0.52728%0.282SS..Hα-helixtrans-56.8-33175179.30000110.9S92 S96 L98S92-V94 PolarHBondContact O-N 3.25Å; S92-V94 PolarHBondContact OG-N 3.19Å; V94-S96 VanDerWaalsContact C-N 3.28Å; V94-S96 PolarHBondContact O-N 3.18Å; V94-L98 HydrophobicContact CG1-CB 4.36Å; V94-L98 HydrophobicContact CG1-CD1 4.39Å; V94-L98 VanDerWaalsContact O-CB 3.29Å; V94-L98 WeakPolarHBondContact O-CB 3.34Å; V94-L98 PolarHBondContact O-N 3.25Å; V94-L98 VanDerWaalsContact O-N 3.08Å
95T83.4Confident85.7Confident3 Ų354.3 Ų54.32%0.01830%0.296CS..Hα-helixtrans-70.8-19.7-172.166.30000114.6S92 P93 Y358 T910 T914S92-T95 WeakPolarHBondContact O-CB 3.32Å; S92-T95 WeakPolarHBondContact O-CG2 3.39Å; S92-T95 PolarHBondContact O-N 2.93Å; S92-T95 PolarHBondContact O-OG1 2.89Å; P93-T95 PolarHBondContact O-N 3.38Å; T95-Y358 WeakPolarHBondContact CB-OH 3.49Å; T95-Y358 PolarHBondContact O-OH 3.21Å; T95-Y358 PolarHBondContact OG1-OH 3.02Å; T95-Y358 VanDerWaalsContact OG1-OH 3.1Å; T95-T910 HydrophobicContact CG2-CG2 4.16Å; T95-T914 VanDerWaalsContact CA-CG2 3.45Å; T95-T914 HydrophobicContact CG2-CG2 3.93Å
96S82.7Confident85.4Confident8 Ų851 Ų516%0.05628%0.28CS..Hα-helixtrans-114.2-29.9173.4-52.80000112.6Q84 P93 V94 L100 N357Q84-S96 PolarHBondContact NE2-OG 2.95Å; Q84-S96 VanDerWaalsContact OE1-CB 3.22Å; Q84-S96 PolarHBondContact OE1-OG 3.11Å; P93-S96 PolarHBondContact O-N 2.8Å; V94-S96 VanDerWaalsContact C-N 3.28Å; V94-S96 PolarHBondContact O-N 3.18Å; S96-L100 PolarHBondContact O-N 3.44Å; S96-N357 PolarHBondContact OG-ND2 3.19Å
97G86.5Confident85.2Confident13 Ų1344.4 Ų44.413%0.13425%0.246CC..Hα-helixtrans-68.2-42.5177.300000114.1P93 L100 F101P93-G97 PolarHBondContact O-N 2.99Å; G97-L100 PolarHBondContact O-N 3.43Å; G97-F101 WeakPolarHBondContact O-CB 3.31Å; G97-F101 PolarHBondContact O-N 2.98Å
98L85.9Confident85.3Confident90 Ų9044 Ų4447%0.47125%0.247SC..Hα-helixtrans-64.4-48-178.3-176.5155.3000112.9V94 L100 F101 F102 I918V94-L98 HydrophobicContact CG1-CB 4.36Å; V94-L98 HydrophobicContact CG1-CD1 4.39Å; V94-L98 VanDerWaalsContact O-CB 3.29Å; V94-L98 WeakPolarHBondContact O-CB 3.34Å; V94-L98 PolarHBondContact O-N 3.25Å; V94-L98 VanDerWaalsContact O-N 3.08Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 3.07Å; L98-F101 PolarHBondContact O-N 3.4Å; L98-F102 WeakPolarHBondContact O-CB 3.28Å; L98-F102 PolarHBondContact O-N 3.14Å; L98-I918 HydrophobicContact CD2-CD1 3.76Å
99P83.3Confident85.7Confident11 Ų1141.9 Ų41.97%0.07124%0.235CC..Hα-helixtrans-56.7-43.6173.2-20.425.9000113.2F102 V103 V362 I918P99-F102 PolarHBondContact O-N 3.23Å; P99-V103 VanDerWaalsContact O-CG2 3.31Å; P99-V103 WeakPolarHBondContact O-CG2 3.44Å; P99-V103 PolarHBondContact O-N 3.07Å; P99-V362 HydrophobicContact CB-CB 4.37Å; P99-V362 HydrophobicContact CB-CG1 3.97Å; P99-I918 HydrophobicContact CB-CD1 3.84Å; P99-I918 HydrophobicContact CB-CG1 4.38Å; P99-I918 HydrophobicContact CG-CD1 3.84Å
100L86.6Confident85.6Confident10 Ų1041.2 Ų41.25%0.05223%0.229CC..Hα-helixtrans-63.5-49.4179178.860.9000111.2F69 F77 L78 S96 G97 L98 F102 V103 I104F69-L100 HydrophobicContact CE1-CD1 4.49Å; F77-L100 HydrophobicContact CB-CD1 3.92Å; F77-L100 HydrophobicContact CB-CD2 4.16Å; F77-L100 HydrophobicContact CB-CG 4.48Å; L78-L100 HydrophobicContact CB-CD2 4.49Å; S96-L100 PolarHBondContact O-N 3.44Å; G97-L100 PolarHBondContact O-N 3.43Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 3.07Å; L100-F102 VanDerWaalsContact C-N 3.3Å; L100-F102 PolarHBondContact O-N 2.88Å; L100-V103 PolarHBondContact O-N 3.27Å; L100-I104 HydrophobicContact CD1-CD1 4.32Å; L100-I104 HydrophobicContact CD1-CG1 3.98Å; L100-I104 HydrophobicContact CG-CG1 4.36Å; L100-I104 VanDerWaalsContact O-CG1 3.26Å; L100-I104 WeakPolarHBondContact O-CG1 3.2Å; L100-I104 PolarHBondContact O-N 3.15Å
101F88.8Confident85.8Confident146 Ų14640.3 Ų40.364%0.6422%0.221SC*.Hα-helixtrans-58-43.4178177.3-99.3000112G97 L98 I104 T105G97-F101 WeakPolarHBondContact O-CB 3.31Å; G97-F101 PolarHBondContact O-N 2.98Å; L98-F101 PolarHBondContact O-N 3.4Å; F101-I104 PolarHBondContact O-N 2.86Å; F101-T105 VanDerWaalsContact O-CB 3.28Å; F101-T105 WeakPolarHBondContact O-CB 3.36Å; F101-T105 PolarHBondContact O-N 2.97Å; F101-T105 PolarHBondContact O-OG1 3.48Å
102F86.1Confident86Confident97 Ų9741.2 Ų41.243%0.42523%0.231SC..Hα-helixtrans-59.5-49.6176.1176-100.2000111.7L98 P99 L100 I104 T105 V106L98-F102 WeakPolarHBondContact O-CB 3.28Å; L98-F102 PolarHBondContact O-N 3.14Å; P99-F102 PolarHBondContact O-N 3.23Å; L100-F102 VanDerWaalsContact C-N 3.3Å; L100-F102 PolarHBondContact O-N 2.88Å; F102-I104 PolarHBondContact O-N 3.23Å; F102-T105 PolarHBondContact O-N 3.3Å; F102-V106 HydrophobicContact CD2-CG2 4.28Å; F102-V106 HydrophobicContact CE1-CG2 4.17Å; F102-V106 HydrophobicContact CE2-CG2 3.89Å; F102-V106 HydrophobicContact CZ-CG2 3.84Å; F102-V106 WeakPolarHBondContact O-CG2 3.24Å; F102-V106 PolarHBondContact O-N 2.84Å
103V84.1Confident86.1Confident4 Ų443.7 Ų43.72%0.02423%0.232CC..Hα-helixtrans-59.6-47.9179.3166.10000111.9P99 L100 T105 V106 T107 V362 V366P99-V103 VanDerWaalsContact O-CG2 3.31Å; P99-V103 WeakPolarHBondContact O-CG2 3.44Å; P99-V103 PolarHBondContact O-N 3.07Å; L100-V103 PolarHBondContact O-N 3.27Å; V103-T105 VanDerWaalsContact C-N 3.32Å; V103-T105 PolarHBondContact O-N 2.77Å; V103-V106 PolarHBondContact O-N 3.13Å; V103-T107 WeakPolarHBondContact O-CB 3.47Å; V103-T107 PolarHBondContact O-N 2.9Å; V103-T107 PolarHBondContact O-OG1 3.45Å; V103-V362 HydrophobicContact CG2-CG1 4.09Å; V103-V366 HydrophobicContact CB-CB 4.45Å; V103-V366 HydrophobicContact CG1-CB 4.15Å; V103-V366 HydrophobicContact CG2-CB 4.04Å; V103-V366 HydrophobicContact CG2-CG1 3.75Å
104I88.4Confident85.7Confident15 Ų1544 Ų448%0.07723%0.23CC..Hα-helixtrans-63.5-41.4-179.2-64.4-63.6000110.8L65 Q68 F69 N74 L100 F101 F102 T107 A108L65-I104 HydrophobicContact CD2-CG2 3.55Å; Q68-I104 HydrophobicContact CB-CD1 4.12Å; Q68-I104 PolarHBondContact NE2-O 3.04Å; Q68-I104 VanDerWaalsContact OE1-CA 3.27Å; Q68-I104 PolarHBondContact OE1-O 3.43Å; F69-I104 HydrophobicContact CE1-CD1 4.21Å; F69-I104 HydrophobicContact CZ-CD1 4.14Å; F69-I104 HydrophobicContact CZ-CG1 4.29Å; N74-I104 HydrophobicContact CB-CD1 4.45Å; L100-I104 HydrophobicContact CD1-CD1 4.32Å; L100-I104 HydrophobicContact CD1-CG1 3.98Å; L100-I104 HydrophobicContact CG-CG1 4.36Å; L100-I104 VanDerWaalsContact O-CG1 3.26Å; L100-I104 WeakPolarHBondContact O-CG1 3.2Å; L100-I104 PolarHBondContact O-N 3.15Å; F101-I104 PolarHBondContact O-N 2.86Å; F102-I104 PolarHBondContact O-N 3.23Å; I104-T107 PolarHBondContact O-N 3Å; I104-A108 VanDerWaalsContact O-CB 3.28Å; I104-A108 WeakPolarHBondContact O-CB 3.32Å; I104-A108 PolarHBondContact O-N 3.07Å
105T89.8Confident85.6Confident50 Ų5040 Ų4031%0.30721%0.206SC..Hα-helixtrans-65.8-47.8-179.9-58.80000111.8F101 F102 V103 T107 A108 I109F101-T105 VanDerWaalsContact O-CB 3.28Å; F101-T105 WeakPolarHBondContact O-CB 3.36Å; F101-T105 PolarHBondContact O-N 2.97Å; F101-T105 PolarHBondContact O-OG1 3.48Å; F102-T105 PolarHBondContact O-N 3.3Å; V103-T105 VanDerWaalsContact C-N 3.32Å; V103-T105 PolarHBondContact O-N 2.77Å; T105-T107 VanDerWaalsContact C-N 3.33Å; T105-T107 PolarHBondContact O-N 3.03Å; T105-A108 PolarHBondContact O-N 3.39Å; T105-I109 HydrophobicContact CG2-CD1 3.99Å; T105-I109 WeakPolarHBondContact O-CG1 3.24Å; T105-I109 PolarHBondContact O-N 2.88Å
106V86.1Confident85.8Confident33 Ų3346.2 Ų46.220%0.223%0.229CC..Hα-helixtrans-61.7-43.2178.4172.10000110.9F102 V103 A108 I109 K110 V366 M370F102-V106 HydrophobicContact CD2-CG2 4.28Å; F102-V106 HydrophobicContact CE1-CG2 4.17Å; F102-V106 HydrophobicContact CE2-CG2 3.89Å; F102-V106 HydrophobicContact CZ-CG2 3.84Å; F102-V106 WeakPolarHBondContact O-CG2 3.24Å; F102-V106 PolarHBondContact O-N 2.84Å; V103-V106 PolarHBondContact O-N 3.13Å; V106-A108 PolarHBondContact O-N 2.97Å; V106-I109 PolarHBondContact O-N 3.46Å; V106-K110 PolarHBondContact O-N 2.93Å; V106-V366 HydrophobicContact CB-CG2 3.88Å; V106-V366 HydrophobicContact CG1-CG2 3.57Å; V106-M370 HydrophobicContact CG1-CE 4.06Å
107T83.8Confident85.7Confident2 Ų249.5 Ų49.51%0.01225%0.245CC..Hα-helixtrans-62.8-42.5176.9-52.10000111.5Q68 V103 I104 T105 K110 Q111 E369Q68-T107 HydrophobicContact CG-CG2 4.19Å; V103-T107 WeakPolarHBondContact O-CB 3.47Å; V103-T107 PolarHBondContact O-N 2.9Å; V103-T107 PolarHBondContact O-OG1 3.45Å; I104-T107 PolarHBondContact O-N 3Å; T105-T107 VanDerWaalsContact C-N 3.33Å; T105-T107 PolarHBondContact O-N 3.03Å; T107-K110 PolarHBondContact O-N 2.95Å; T107-Q111 WeakPolarHBondContact O-CG 3.36Å; T107-Q111 PolarHBondContact O-N 2.84Å; T107-E369 WeakPolarHBondContact CG2-OE2 3.43Å; T107-E369 PolarHBondContact OG1-OE2 3.2Å
108A89.2Confident85.3Confident19 Ų1952.9 Ų52.916%0.15725%0.254CS..Hα-helixtrans-63.8-44.1177.400000111.2F60 I104 T105 V106 K110 Q111 G112F60-A108 HydrophobicContact CZ-CB 4.48Å; F60-A108 WeakPolarHBondContact CZ-O 3.47Å; I104-A108 VanDerWaalsContact O-CB 3.28Å; I104-A108 WeakPolarHBondContact O-CB 3.32Å; I104-A108 PolarHBondContact O-N 3.07Å; T105-A108 PolarHBondContact O-N 3.39Å; V106-A108 PolarHBondContact O-N 2.97Å; A108-K110 PolarHBondContact O-N 3.11Å; A108-Q111 PolarHBondContact O-N 2.84Å; A108-G112 PolarHBondContact O-N 2.61Å
109I90Very high85.3Confident118 Ų11851.2 Ų51.261%0.60524%0.244SC*.Hα-helixtrans-59.6-46.4177-69.1167000110.8T105 V106 G112 Y113T105-I109 HydrophobicContact CG2-CD1 3.99Å; T105-I109 WeakPolarHBondContact O-CG1 3.24Å; T105-I109 PolarHBondContact O-N 2.88Å; V106-I109 PolarHBondContact O-N 3.46Å; I109-G112 PolarHBondContact O-N 2.93Å; I109-Y113 WeakPolarHBondContact O-CB 3.43Å; I109-Y113 PolarHBondContact O-N 3.43Å
110K84.3Confident85.4Confident13 Ų1357 Ų576%0.05727%0.268CS..Hα-helixtrans-57.9-52.6177-175.5-120-175.5-1640111.5V106 T107 A108 G112 Y113 E114 M370 F373 S399 D400V106-K110 PolarHBondContact O-N 2.93Å; T107-K110 PolarHBondContact O-N 2.95Å; A108-K110 PolarHBondContact O-N 3.11Å; K110-G112 VanDerWaalsContact C-N 3.33Å; K110-G112 PolarHBondContact O-N 2.94Å; K110-Y113 PolarHBondContact O-N 3.45Å; K110-E114 WeakPolarHBondContact CE-OE1 3.48Å; K110-E114 IonicContact NZ-OE1 2.7Å; K110-E114 PolarHBondContact NZ-OE1 3.08Å; K110-E114 IonicContact NZ-OE2 3.31Å; K110-E114 PolarHBondContact O-N 3.02Å; K110-M370 HydrophobicContact CB-CE 4.16Å; K110-M370 HydrophobicContact CG-CE 4.19Å; K110-F373 HydrophobicContact CG-CD2 4.24Å; K110-F373 HydrophobicContact CG-CG 4.35Å; K110-S399 PolarHBondContact NZ-OG 3.3Å; K110-S399 VanDerWaalsContact NZ-OG 3.08Å; K110-D400 IonicContact NZ-OD1 3.88Å; K110-D400 PolarHBondContact NZ-OD1 3.19Å
111Q82.3Confident85Confident28 Ų2858.8 Ų58.813%0.13128%0.284CS..Hα-helixtrans-65.9-35.8-178.7-70.6177.7-5.700112.3N64 T107 A108 D115N64-Q111 PolarHBondContact ND2-OE1 3.15Å; T107-Q111 WeakPolarHBondContact O-CG 3.36Å; T107-Q111 PolarHBondContact O-N 2.84Å; A108-Q111 PolarHBondContact O-N 2.84Å; Q111-D115 WeakPolarHBondContact O-CB 3.39Å; Q111-D115 PolarHBondContact O-N 3.5Å
112G88.1Confident84.7Confident21 Ų2152.3 Ų52.322%0.21626%0.256CS..Hα-helixtrans-65.3-41.217400000112.3A108 I109 K110 D115 W116A108-G112 PolarHBondContact O-N 2.61Å; I109-G112 PolarHBondContact O-N 2.93Å; K110-G112 VanDerWaalsContact C-N 3.33Å; K110-G112 PolarHBondContact O-N 2.94Å; G112-D115 PolarHBondContact O-N 2.92Å; G112-W116 VanDerWaalsContact O-CB 3.3Å; G112-W116 WeakPolarHBondContact O-CB 3.41Å; G112-W116 PolarHBondContact O-N 3.28Å
113Y86.5Confident84.8Confident106 Ų10650.1 Ų50.142%0.41625%0.252SS..Hα-helixtrans-64.8-47.1175.2179-101.7000112.1I109 K110 D115 W116 L117I109-Y113 WeakPolarHBondContact O-CB 3.43Å; I109-Y113 PolarHBondContact O-N 3.43Å; K110-Y113 PolarHBondContact O-N 3.45Å; Y113-D115 VanDerWaalsContact C-N 3.31Å; Y113-D115 PolarHBondContact O-N 3.1Å; Y113-W116 HydrophobicContact CD2-CE3 4.42Å; Y113-W116 HydrophobicContact CE2-CE3 4.28Å; Y113-W116 HydrophobicContact CE2-CZ3 4.34Å; Y113-W116 PolarHBondContact O-N 3.36Å; Y113-L117 HydrophobicContact CD1-CD1 4.27Å; Y113-L117 HydrophobicContact CE1-CD1 3.73Å; Y113-L117 HydrophobicContact CE1-CG 4.31Å; Y113-L117 PolarHBondContact O-N 3.22Å
114E78.8Confident84.8Confident50 Ų5053.4 Ų53.423%0.23428%0.276CS..Hα-helixtrans-59.9-39.8176.4-73.7-179164.700112K110 S399K110-E114 WeakPolarHBondContact CE-OE1 3.48Å; K110-E114 IonicContact NZ-OE1 2.7Å; K110-E114 PolarHBondContact NZ-OE1 3.08Å; K110-E114 IonicContact NZ-OE2 3.31Å; K110-E114 PolarHBondContact O-N 3.02Å; E114-S399 PolarHBondContact OE1-OG 3.43Å
115D83.7Confident84.5Confident3 Ų356.9 Ų56.92%0.01629%0.294CS..Hα-helixtrans-75.6-31.7177.5-151.660.3000112.4K54 Y55 Q111 G112 Y113 L117 R118 H119K54-D115 PolarHBondContact N-OD1 2.8Å; K54-D115 PolarHBondContact N-OD2 3.33Å; Y55-D115 WeakPolarHBondContact CB-OD2 3.47Å; Y55-D115 HydrophobicContact CD2-CB 3.81Å; Y55-D115 WeakPolarHBondContact CD2-OD2 3.29Å; Y55-D115 HydrophobicContact CE2-CB 4.39Å; Y55-D115 PolarHBondContact N-OD2 2.85Å; Q111-D115 WeakPolarHBondContact O-CB 3.39Å; Q111-D115 PolarHBondContact O-N 3.5Å; G112-D115 PolarHBondContact O-N 2.92Å; Y113-D115 VanDerWaalsContact C-N 3.31Å; Y113-D115 PolarHBondContact O-N 3.1Å; D115-L117 VanDerWaalsContact C-N 3.32Å; D115-L117 PolarHBondContact O-N 2.87Å; D115-R118 WeakPolarHBondContact O-CA 3.44Å; D115-R118 WeakPolarHBondContact O-CB 3.46Å; D115-R118 PolarHBondContact O-N 3.46Å; D115-R118 VanDerWaalsContact O-N 3.09Å; D115-R118 IonicContact OD1-NH1 2.87Å; D115-R118 PolarHBondContact OD1-NH1 3.15Å; D115-R118 VanDerWaalsContact OD1-NH1 3.08Å; D115-H119 PolarHBondContact O-CD2 2.88Å; D115-H119 VanDerWaalsContact O-CD2 3.22Å; D115-H119 PolarHBondContact O-N 3.2Å; D115-H119 IonicContact OD2-CD2 3.36Å; D115-H119 IonicContact OD2-NE2 3.11Å
116W86.2Confident84.4Confident134 Ų13454.9 Ų54.951%0.50828%0.281SS..Hα-helixtrans-62.4-37.9172.4175.880.7000112.2G112 Y113 R118 H119 K120G112-W116 VanDerWaalsContact O-CB 3.3Å; G112-W116 WeakPolarHBondContact O-CB 3.41Å; G112-W116 PolarHBondContact O-N 3.28Å; Y113-W116 HydrophobicContact CD2-CE3 4.42Å; Y113-W116 HydrophobicContact CE2-CE3 4.28Å; Y113-W116 HydrophobicContact CE2-CZ3 4.34Å; Y113-W116 PolarHBondContact O-N 3.36Å; W116-R118 VanDerWaalsContact C-N 3.25Å; W116-R118 PolarHBondContact O-N 3.13Å; W116-H119 WeakPolarHBondContact O-CB 3.31Å; W116-H119 PolarHBondContact O-N 3.35Å; W116-K120 HydrophobicContact CH2-CD 4.07Å; W116-K120 HydrophobicContact CZ2-CD 4.45Å; W116-K120 HydrophobicContact CZ3-CD 4.45Å; W116-K120 PolarHBondContact O-N 2.88Å
117L80.5Confident84.6Confident76 Ų7659 Ų5940%0.39830%0.298SS..Hα-helixtrans-60.1-36.8172.4-70.6174.2000111.8Y113 D115 K120 A121Y113-L117 HydrophobicContact CD1-CD1 4.27Å; Y113-L117 HydrophobicContact CE1-CD1 3.73Å; Y113-L117 HydrophobicContact CE1-CG 4.31Å; Y113-L117 PolarHBondContact O-N 3.22Å; D115-L117 VanDerWaalsContact C-N 3.32Å; D115-L117 PolarHBondContact O-N 2.87Å; L117-K120 PolarHBondContact O-N 2.84Å; L117-A121 PolarHBondContact O-N 3.01Å
118R78.8Confident84.7Confident85 Ų8561.5 Ų61.532%0.32132%0.315SS..Hα-helixtrans-66.6-43.9172.8-62.1-174.2-173.91258.3111.9D115 W116 K120 A121 D122D115-R118 WeakPolarHBondContact O-CA 3.44Å; D115-R118 WeakPolarHBondContact O-CB 3.46Å; D115-R118 PolarHBondContact O-N 3.46Å; D115-R118 VanDerWaalsContact O-N 3.09Å; D115-R118 IonicContact OD1-NH1 2.87Å; D115-R118 PolarHBondContact OD1-NH1 3.15Å; D115-R118 VanDerWaalsContact OD1-NH1 3.08Å; W116-R118 VanDerWaalsContact C-N 3.25Å; W116-R118 PolarHBondContact O-N 3.13Å; R118-K120 VanDerWaalsContact C-N 3.3Å; R118-K120 PolarHBondContact O-N 2.83Å; R118-A121 PolarHBondContact O-N 2.89Å; R118-D122 WeakPolarHBondContact O-CB 3.31Å; R118-D122 VanDerWaalsContact O-CG 3.28Å; R118-D122 PolarHBondContact O-N 3.18Å
119H85.3Confident84.8Confident55 Ų5563.9 Ų63.926%0.25533%0.329SS..Hα-helixtrans-58.3-42.3174.1-78.8-73.5000111.9S53 Y55 D115 W116 A121 D122 C123S53-H119 WeakPolarHBondContact CB-CE1 3.46Å; S53-H119 WeakPolarHBondContact CB-NE2 3.37Å; S53-H119 PolarHBondContact OG-CE1 3.49Å; S53-H119 PolarHBondContact OG-ND1 2.9Å; S53-H119 PolarHBondContact OG-NE2 2.94Å; Y55-H119 PolarHBondContact O-CE1 3.49Å; Y55-H119 PolarHBondContact O-NE2 2.92Å; D115-H119 PolarHBondContact O-CD2 2.88Å; D115-H119 VanDerWaalsContact O-CD2 3.22Å; D115-H119 PolarHBondContact O-N 3.2Å; D115-H119 IonicContact OD2-CD2 3.36Å; D115-H119 IonicContact OD2-NE2 3.11Å; W116-H119 WeakPolarHBondContact O-CB 3.31Å; W116-H119 PolarHBondContact O-N 3.35Å; H119-A121 PolarHBondContact O-N 3.46Å; H119-D122 PolarHBondContact O-N 2.98Å; H119-C123 WeakPolarHBondContact O-CB 3.26Å; H119-C123 PolarHBondContact O-N 2.98Å; H119-C123 PolarHBondContact O-SG 3.35Å
120K86.3Confident84.9Confident131 Ų13158.8 Ų58.857%0.5730%0.304SS*.Hα-helixtrans-61.3-43.6176.4-173-180178.3-176.50111.7W116 L117 R118 S124W116-K120 HydrophobicContact CH2-CD 4.07Å; W116-K120 HydrophobicContact CZ2-CD 4.45Å; W116-K120 HydrophobicContact CZ3-CD 4.45Å; W116-K120 PolarHBondContact O-N 2.88Å; L117-K120 PolarHBondContact O-N 2.84Å; R118-K120 VanDerWaalsContact C-N 3.3Å; R118-K120 PolarHBondContact O-N 2.83Å; K120-S124 PolarHBondContact O-N 3.29Å; K120-S124 VanDerWaalsContact O-N 3.12Å
121A78.1Confident85.4Confident49 Ų4958.3 Ų58.341%0.40530%0.302SS..Hα-helixtrans-64.9-46.2175.800000111.8L117 R118 H119 C123 S124 L125L117-A121 PolarHBondContact O-N 3.01Å; R118-A121 PolarHBondContact O-N 2.89Å; H119-A121 PolarHBondContact O-N 3.46Å; A121-C123 PolarHBondContact O-N 3.29Å; A121-S124 PolarHBondContact O-N 2.91Å; A121-S124 PolarHBondContact O-OG 3.32Å; A121-L125 PolarHBondContact O-N 3.46Å
122D83.2Confident86Confident9 Ų957 Ų575%0.04830%0.296CS..Hα-helixtrans-60-44.1176.6-70.7-15.9000111.5S52 S53 R118 H119 S124 L125 N126S52-D122 VanDerWaalsContact CB-OD1 3.3Å; S52-D122 WeakPolarHBondContact CB-OD1 3.36Å; S52-D122 PolarHBondContact N-OD1 3.28Å; S52-D122 PolarHBondContact N-OD2 3.24Å; S52-D122 PolarHBondContact OG-OD1 3.18Å; S52-D122 PolarHBondContact OG-OD2 3.28Å; S52-D122 VanDerWaalsContact OG-OD2 3.12Å; S53-D122 PolarHBondContact N-OD2 3.46Å; R118-D122 WeakPolarHBondContact O-CB 3.31Å; R118-D122 VanDerWaalsContact O-CG 3.28Å; R118-D122 PolarHBondContact O-N 3.18Å; H119-D122 PolarHBondContact O-N 2.98Å; D122-S124 VanDerWaalsContact C-N 3.35Å; D122-S124 PolarHBondContact O-N 3.29Å; D122-L125 PolarHBondContact O-N 2.8Å; D122-N126 VanDerWaalsContact O-CB 3.3Å; D122-N126 WeakPolarHBondContact O-CB 3.39Å; D122-N126 PolarHBondContact O-N 2.93Å; D122-N126 PolarHBondContact O-ND2 3.18Å
123C87.9Confident86.1Confident51 Ų5156.4 Ų56.435%0.34529%0.288SS..Hα-helixtrans-60.3-44.4177-73.10000111.5H119 A121 L125 N126 E127H119-C123 WeakPolarHBondContact O-CB 3.26Å; H119-C123 PolarHBondContact O-N 2.98Å; H119-C123 PolarHBondContact O-SG 3.35Å; A121-C123 PolarHBondContact O-N 3.29Å; C123-L125 VanDerWaalsContact C-N 3.27Å; C123-L125 PolarHBondContact O-N 2.82Å; C123-N126 PolarHBondContact O-N 3.5Å; C123-E127 WeakPolarHBondContact O-CB 3.28Å; C123-E127 WeakPolarHBondContact O-CG 3.35Å; C123-E127 PolarHBondContact O-N 3.07Å
124S84Confident86.1Confident73 Ų7355.7 Ų55.751%0.5129%0.288SS..Hα-helixtrans-58.8-38.2178.272.90000112.8K120 A121 D122 C128K120-S124 PolarHBondContact O-N 3.29Å; K120-S124 VanDerWaalsContact O-N 3.12Å; A121-S124 PolarHBondContact O-N 2.91Å; A121-S124 PolarHBondContact O-OG 3.32Å; D122-S124 VanDerWaalsContact C-N 3.35Å; D122-S124 PolarHBondContact O-N 3.29Å; S124-C128 PolarHBondContact O-N 2.95Å; S124-C128 PolarHBondContact O-SG 3.36Å
125L80.8Confident86.3Confident89 Ų8961.7 Ų61.747%0.46632%0.316SS..Hα-helixtrans-75.1-37.4177-67.9173.8000112.8A121 D122 C123 E127 C128A121-L125 PolarHBondContact O-N 3.46Å; D122-L125 PolarHBondContact O-N 2.8Å; C123-L125 VanDerWaalsContact C-N 3.27Å; C123-L125 PolarHBondContact O-N 2.82Å; L125-E127 VanDerWaalsContact C-N 3.33Å; L125-C128 WeakPolarHBondContact O-CB 3.47Å
126N88.5Confident86.3Confident8 Ų867 Ų674%0.04334%0.341CS..Hα-helixtrans-73.9-26.1-179-73.6-37.9000112.6R49 I50 D122 C123 H144R49-N126 WeakPolarHBondContact CA-OD1 3.47Å; I50-N126 PolarHBondContact N-OD1 3.41Å; I50-N126 PolarHBondContact O-ND2 3.03Å; D122-N126 VanDerWaalsContact O-CB 3.3Å; D122-N126 WeakPolarHBondContact O-CB 3.39Å; D122-N126 PolarHBondContact O-N 2.93Å; D122-N126 PolarHBondContact O-ND2 3.18Å; C123-N126 PolarHBondContact O-N 3.5Å; N126-H144 HydrophobicContact CB-CB 4.09Å; N126-H144 PolarHBondContact O-N 3.45Å; N126-H144 VanDerWaalsContact O-N 3.13Å; N126-H144 PolarHBondContact O-ND1 2.61Å
127E89.4Confident86.4Confident119 Ų11967.8 Ų67.856%0.55635%0.348SS*.THydrogen-bonded Turntrans-92.1-2.4178.5-68.7177.917700113.4C123 L125C123-E127 WeakPolarHBondContact O-CB 3.28Å; C123-E127 WeakPolarHBondContact O-CG 3.35Å; C123-E127 PolarHBondContact O-N 3.07Å; L125-E127 VanDerWaalsContact C-N 3.33Å
128C86.8Confident86.9Confident54 Ų5466.3 Ų66.337%0.36534%0.342SS..  trans-52.6130.7174.4-73.30000110.7S124 L125 S143S124-C128 PolarHBondContact O-N 2.95Å; S124-C128 PolarHBondContact O-SG 3.36Å; L125-C128 WeakPolarHBondContact O-CB 3.47Å; C128-S143 WeakPolarHBondContact O-CB 3.23Å; C128-S143 PolarHBondContact O-N 3.15Å
129P91.2Very high87.5Confident69 Ų6965.1 Ų65.145%0.44834%0.344SS..EExtended strand (participates in β ladder)trans-71.3142.1178.229.8-34.1000110.8R140 T141P129-R140 HydrophobicContact CB-CG 4.11Å; P129-T141 CarbonylContact C-O 3.55Å; P129-T141 VanDerWaalsContact CA-O 3.32Å; P129-T141 WeakPolarHBondContact CA-O 3.21Å
130V92.6Very high87.8Confident12 Ų1268.6 Ų68.67%0.07336%0.355CS..EExtended strand (participates in β ladder)trans-137.4135.5177.5-178.80000109V132 T141 L146 V152 P161V130-V132 HydrophobicContact CG1-CG2 4.35Å; V130-T141 PolarHBondContact N-O 3.2Å; V130-T141 PolarHBondContact O-N 2.77Å; V130-L146 HydrophobicContact CB-CD1 4.43Å; V130-L146 HydrophobicContact CG1-CD1 4.12Å; V130-L146 HydrophobicContact CG1-CD2 4.33Å; V130-L146 HydrophobicContact CG2-CD1 4.23Å; V130-V152 HydrophobicContact CG1-CG1 3.46Å; V130-V152 VanDerWaalsContact CG1-CG1 3.46Å; V130-P161 HydrophobicContact CG1-CG 3.92Å; V130-P161 HydrophobicContact CG2-CB 3.67Å; V130-P161 HydrophobicContact CG2-CG 3.95Å
131D94.8Very high88.1Confident3 Ų363.9 Ų63.92%0.01634%0.337CS..EExtended strand (participates in β ladder)trans-85.7122.3176.2-73.1-5.1000109.6V138 R140 V152 M153 R155D131-V138 HydrophobicContact CB-CG1 3.56Å; D131-R140 WeakPolarHBondContact OD1-CD 3.41Å; D131-R140 VanDerWaalsContact OD1-CG 3.26Å; D131-R140 WeakPolarHBondContact OD1-CG 3.4Å; D131-R140 IonicContact OD1-CZ 2.74Å; D131-R140 IonicContact OD1-NE 2.66Å; D131-R140 IonicContact OD1-NH1 2.66Å; D131-R140 PolarHBondContact OD1-NH1 3.14Å; D131-R140 IonicContact OD2-NH1 3.57Å; D131-V152 WeakPolarHBondContact O-CG1 3.36Å; D131-M153 HydrophobicContact CB-CB 4.24Å; D131-M153 HydrophobicContact CB-CE 3.96Å; D131-M153 WeakPolarHBondContact CB-O 3.47Å; D131-M153 PolarHBondContact O-N 3.46Å; D131-M153 VanDerWaalsContact OD2-CE 3.31Å; D131-M153 WeakPolarHBondContact OD2-CE 3.46Å; D131-R155 IonicContact OD2-CZ 2.67Å; D131-R155 VanDerWaalsContact OD2-CZ 3.25Å; D131-R155 IonicContact OD2-NE 2.93Å; D131-R155 PolarHBondContact OD2-NE 3.43Å; D131-R155 IonicContact OD2-NH2 3.69Å; D131-R155 PolarHBondContact OD2-NH2 2.91Å
132V93.9Very high88.8Confident1 Ų164.7 Ų64.71%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-122.2136.6-177.2-177.10000109.2V130 Q134 V139 T141 L146 D150 I151V130-V132 HydrophobicContact CG1-CG2 4.35Å; V132-Q134 HydrophobicContact CG1-CG 3.98Å; V132-V139 PolarHBondContact N-O 3.4Å; V132-V139 PolarHBondContact O-N 3.34Å; V132-T141 WeakPolarHBondContact CG2-OG1 3.46Å; V132-L146 HydrophobicContact CG2-CD2 3.44Å; V132-L146 VanDerWaalsContact CG2-CD2 3.44Å; V132-D150 HydrophobicContact CG1-CB 4.25Å; V132-I151 CarbonylContact C-O 3.22Å; V132-I151 WeakPolarHBondContact CA-O 3.22Å; V132-I151 VanDerWaalsContact CG1-O 3.3Å; V132-I151 WeakPolarHBondContact CG1-O 3.37Å
133V91.4Very high89.2Confident7 Ų764.4 Ų64.44%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-82.7117.5174.7-1770000108.8K137 I151 E204 D208 Y263V133-K137 WeakPolarHBondContact CA-O 2.94Å; V133-I151 HydrophobicContact CB-CB 4.12Å; V133-I151 HydrophobicContact CB-CG2 3.93Å; V133-I151 HydrophobicContact CG2-CG2 3.92Å; V133-I151 PolarHBondContact N-O 3.19Å; V133-E204 HydrophobicContact CG1-CB 4.11Å; V133-E204 HydrophobicContact CG2-CG 4.48Å; V133-D208 HydrophobicContact CG1-CB 4.07Å; V133-Y263 HydrophobicContact CG2-CD1 4Å; V133-Y263 HydrophobicContact CG2-CE1 3.94Å
134Q86.4Confident89.4Confident91 Ų9164.8 Ų64.843%0.42533%0.328SS..EExtended strand (participates in β ladder)trans-139.4129.3175.6-66.3-174.4-2.700109.6V132 E136 K137 V139V132-Q134 HydrophobicContact CG1-CG 3.98Å; Q134-E136 PolarHBondContact O-N 3.02Å; Q134-K137 PolarHBondContact N-O 3.17Å; Q134-K137 PolarHBondContact O-N 3.01Å; Q134-K137 VanDerWaalsContact O-N 3.16Å; Q134-K137 VanDerWaalsContact O-O 3.08Å; Q134-V139 HydrophobicContact CB-CG2 4.41Å
135Q82.8Confident89.9Confident176 Ų17667 Ų6782%0.82233%0.328SS*.THydrogen-bonded Turntrans51.953.9177.8-58.7-179.2-18.400111.6K137Q135-K137 PolarHBondContact O-N 3.17Å; Q135-K137 VanDerWaalsContact O-N 3.08Å
136E83.8Confident90.4Very high116 Ų11662.8 Ų62.854%0.54231%0.306SS..THydrogen-bonded Turntrans6017.2178.8-57.2172.7-170.700115.2Q134 Q205 D208Q134-E136 PolarHBondContact O-N 3.02Å; E136-Q205 HydrophobicContact CB-CG 3.92Å; E136-Q205 HydrophobicContact CG-CG 4.26Å; E136-D208 PolarHBondContact N-OD2 3.29Å
137K88.2Confident90.6Very high149 Ų14970.1 Ų70.165%0.64833%0.333SS*.EExtended strand (participates in β ladder)trans-135.8148.3-179.9-67.7-179.7-177.4174.60112.2V133 Q134 Q135 V139V133-K137 WeakPolarHBondContact CA-O 2.94Å; Q134-K137 PolarHBondContact N-O 3.17Å; Q134-K137 PolarHBondContact O-N 3.01Å; Q134-K137 VanDerWaalsContact O-N 3.16Å; Q134-K137 VanDerWaalsContact O-O 3.08Å; Q135-K137 PolarHBondContact O-N 3.17Å; Q135-K137 VanDerWaalsContact O-N 3.08Å; K137-V139 PolarHBondContact O-N 3.14Å
138V90.1Very high90.8Very high45 Ų4564.9 Ų64.927%0.27331%0.309SS..EExtended strand (participates in β ladder)trans-77.9117.3168.5-171.20000110D131 M153 E204D131-V138 HydrophobicContact CB-CG1 3.56Å; V138-M153 HydrophobicContact CG1-CE 3.85Å; V138-M153 HydrophobicContact CG1-SD 4.47Å; V138-M153 HydrophobicContact CG2-CE 4.21Å; V138-M153 HydrophobicContact CG2-SD 3.9Å; V138-E204 HydrophobicContact CG2-CG 3.48Å; V138-E204 VanDerWaalsContact CG2-CG 3.48Å; V138-E204 WeakPolarHBondContact CG2-OE1 3.43Å
139V92.6Very high91Very high60 Ų6062.3 Ų62.336%0.36429%0.292SS..EExtended strand (participates in β ladder)trans-111.6124.7174.1-177.10000109V132 Q134 K137 T141V132-V139 PolarHBondContact N-O 3.4Å; V132-V139 PolarHBondContact O-N 3.34Å; Q134-V139 HydrophobicContact CB-CG2 4.41Å; K137-V139 PolarHBondContact O-N 3.14Å; V139-T141 HydrophobicContact CG1-CG2 4.04Å; V139-T141 PolarHBondContact O-N 3.03Å
140R91.9Very high91.1Very high129 Ų12959.8 Ų59.849%0.48727%0.274SS..EExtended strand (participates in β ladder)trans-79.1117175.4-162160.7-175.6107.8-3.3109.8P129 D131 E158P129-R140 HydrophobicContact CB-CG 4.11Å; D131-R140 WeakPolarHBondContact OD1-CD 3.41Å; D131-R140 VanDerWaalsContact OD1-CG 3.26Å; D131-R140 WeakPolarHBondContact OD1-CG 3.4Å; D131-R140 IonicContact OD1-CZ 2.74Å; D131-R140 IonicContact OD1-NE 2.66Å; D131-R140 IonicContact OD1-NH1 2.66Å; D131-R140 PolarHBondContact OD1-NH1 3.14Å; D131-R140 IonicContact OD2-NH1 3.57Å; R140-E158 IonicContact NH2-OE1 3.1Å
141T92.4Very high91.2Very high31 Ų3159.3 Ų59.319%0.1927%0.272CS..EExtended strand (participates in β ladder)trans-121.5-176.9179.867.90000110.8P129 V130 V132 V139P129-T141 CarbonylContact C-O 3.55Å; P129-T141 VanDerWaalsContact CA-O 3.32Å; P129-T141 WeakPolarHBondContact CA-O 3.21Å; V130-T141 PolarHBondContact N-O 3.2Å; V130-T141 PolarHBondContact O-N 2.77Å; V132-T141 WeakPolarHBondContact CG2-OG1 3.46Å; V139-T141 HydrophobicContact CG1-CG2 4.04Å; V139-T141 PolarHBondContact O-N 3.03Å
142Q92.9Very high91.2Very high67 Ų6759.2 Ų59.231%0.31327%0.271SS..EExtended strand (participates in β ladder)trans-100142.4177.2-68.7169.7-43.900109.5H144 K145Q142-H144 VanDerWaalsContact C-N 3.27Å; Q142-H144 PolarHBondContact O-N 3.49Å; Q142-H144 VanDerWaalsContact O-N 3.12Å; Q142-H144 PolarHBondContact OE1-CE1 2.69Å; Q142-K145 HydrophobicContact CB-CD 4.42Å; Q142-K145 HydrophobicContact CB-CG 4.44Å; Q142-K145 WeakPolarHBondContact O-CB 3.2Å; Q142-K145 PolarHBondContact O-N 2.73Å; Q142-K145 VanDerWaalsContact OE1-CE 3.28Å
143S91.6Very high91.2Very high3 Ų359.8 Ų59.82%0.02127%0.274CS..G310 helixtrans-49.6-42.5-176.2-179.60000113.8N48 C128 K145 L146N48-S143 WeakPolarHBondContact CB-O 3.49Å; N48-S143 PolarHBondContact ND2-O 3.31Å; N48-S143 PolarHBondContact ND2-OG 3.18Å; C128-S143 WeakPolarHBondContact O-CB 3.23Å; C128-S143 PolarHBondContact O-N 3.15Å; S143-K145 PolarHBondContact O-N 3.47Å; S143-L146 WeakPolarHBondContact O-CB 3.48Å; S143-L146 WeakPolarHBondContact O-CG 3.33Å; S143-L146 PolarHBondContact O-N 3.04Å
144H92Very high91.4Very high59 Ų5959.6 Ų59.627%0.27327%0.273SS..G310 helixtrans-67.2-15.9-179.972.7-89.5000115.1R49 N126 Q142R49-H144 HydrophobicContact CB-CB 4.48Å; N126-H144 HydrophobicContact CB-CB 4.09Å; N126-H144 PolarHBondContact O-N 3.45Å; N126-H144 VanDerWaalsContact O-N 3.13Å; N126-H144 PolarHBondContact O-ND1 2.61Å; Q142-H144 VanDerWaalsContact C-N 3.27Å; Q142-H144 PolarHBondContact O-N 3.49Å; Q142-H144 VanDerWaalsContact O-N 3.12Å; Q142-H144 PolarHBondContact OE1-CE1 2.69Å
145K93.1Very high91.7Very high118 Ų11860.9 Ų60.951%0.51327%0.274SS..G310 helixtrans-84.2-12.6178.5-64.4-178178.4169.30112.8Q142 S143Q142-K145 HydrophobicContact CB-CD 4.42Å; Q142-K145 HydrophobicContact CB-CG 4.44Å; Q142-K145 WeakPolarHBondContact O-CB 3.2Å; Q142-K145 PolarHBondContact O-N 2.73Å; Q142-K145 VanDerWaalsContact OE1-CE 3.28Å; S143-K145 PolarHBondContact O-N 3.47Å
146L92.5Very high92.1Very high1 Ų155.7 Ų55.71%0.00525%0.249CC..  trans-60.8139.9176.9-67.8172.1000111.4N48 V130 V132 S143 D150 V152 P161N48-L146 HydrophobicContact CB-CB 3.99Å; N48-L146 WeakPolarHBondContact CB-O 3.36Å; V130-L146 HydrophobicContact CB-CD1 4.43Å; V130-L146 HydrophobicContact CG1-CD1 4.12Å; V130-L146 HydrophobicContact CG1-CD2 4.33Å; V130-L146 HydrophobicContact CG2-CD1 4.23Å; V132-L146 HydrophobicContact CG2-CD2 3.44Å; V132-L146 VanDerWaalsContact CG2-CD2 3.44Å; S143-L146 WeakPolarHBondContact O-CB 3.48Å; S143-L146 WeakPolarHBondContact O-CG 3.33Å; S143-L146 PolarHBondContact O-N 3.04Å; L146-D150 WeakPolarHBondContact CA-OD2 3.3Å; L146-D150 HydrophobicContact CD2-CB 4.41Å; L146-V152 HydrophobicContact CD2-CG2 3.98Å; L146-P161 HydrophobicContact CD1-CB 3.64Å; L146-P161 HydrophobicContact CD1-CG 3.54Å
147R92.4Very high92.3Very high163 Ų16354.6 Ų54.662%0.61525%0.247SC*.  trans-122.7154.4176.3-61.2-180-179.3-177.20.1109.6G149 D150R147-G149 PolarHBondContact O-N 3.16Å; R147-D150 PolarHBondContact N-OD2 3.32Å; R147-D150 WeakPolarHBondContact O-CB 3.45Å; R147-D150 PolarHBondContact O-N 3.39Å; R147-D150 VanDerWaalsContact O-N 3.12Å
148V92.4Very high92.4Very high9 Ų950 Ų506%0.05523%0.228CC..THydrogen-bonded Turntrans-57.3129.9171.4176.50000108.9V26 H30 Y45 V267 T269V26-V148 HydrophobicContact CB-CG1 4.09Å; V26-V148 HydrophobicContact CG1-CG1 3.62Å; V26-V148 HydrophobicContact CG2-CG1 3.42Å; V26-V148 VanDerWaalsContact CG2-CG1 3.42Å; H30-V148 PolarHBondContact CE1-O 3.25Å; H30-V148 VanDerWaalsContact CE1-O 3.26Å; Y45-V148 HydrophobicContact CD1-CG1 4.47Å; Y45-V148 HydrophobicContact CD1-CG2 4.18Å; Y45-V148 HydrophobicContact CD2-CB 3.57Å; Y45-V148 HydrophobicContact CD2-CG1 3.78Å; Y45-V148 HydrophobicContact CD2-CG2 3.99Å; Y45-V148 HydrophobicContact CE1-CG1 4.46Å; Y45-V148 HydrophobicContact CE2-CB 4.08Å; Y45-V148 HydrophobicContact CE2-CG1 3.75Å; Y45-V148 HydrophobicContact CG-CB 3.82Å; Y45-V148 HydrophobicContact CG-CG1 4.14Å; Y45-V148 HydrophobicContact CG-CG2 3.66Å; V148-V267 WeakPolarHBondContact CG1-O 3.28Å; V148-V267 WeakPolarHBondContact CG2-O 3.43Å; V148-T269 HydrophobicContact CG2-CG2 3.82Å; V148-T269 VanDerWaalsContact CG2-OG1 3.32Å; V148-T269 WeakPolarHBondContact CG2-OG1 3.39Å
149G91.4Very high92.4Very high0 Ų051.6 Ų51.60%024%0.238CC..THydrogen-bonded Turntrans97.2-12.1-175.200000115.4Y27 G29 R147 A266Y27-G149 VanDerWaalsContact O-CA 3.24Å; Y27-G149 WeakPolarHBondContact O-CA 3.42Å; G29-G149 PolarHBondContact N-O 3.36Å; R147-G149 PolarHBondContact O-N 3.16Å; G149-A266 PolarHBondContact N-O 2.86Å
150D93.4Very high92.4Very high15 Ų1548.8 Ų48.88%0.0822%0.221CC..  trans-66.1136.6174.8-72.6-17.5000111.1H30 V132 L146 R147 V265 A266H30-D150 IonicContact CD2-OD1 2.77Å; H30-D150 IonicContact CE1-OD1 3.96Å; H30-D150 IonicContact NE2-OD1 3.38Å; H30-D150 PolarHBondContact NE2-OD1 3.5Å; V132-D150 HydrophobicContact CG1-CB 4.25Å; L146-D150 WeakPolarHBondContact CA-OD2 3.3Å; L146-D150 HydrophobicContact CD2-CB 4.41Å; R147-D150 PolarHBondContact N-OD2 3.32Å; R147-D150 WeakPolarHBondContact O-CB 3.45Å; R147-D150 PolarHBondContact O-N 3.39Å; R147-D150 VanDerWaalsContact O-N 3.12Å; D150-V265 WeakPolarHBondContact O-CA 3.18Å; D150-A266 PolarHBondContact O-N 3.19Å
151I94.6Very high92.3Very high3 Ų343.3 Ų43.32%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-87.9120.3172.9-60.5160.8000108.1I28 V132 V133 V207 A264I28-I151 HydrophobicContact CG2-CD1 3.92Å; I28-I151 HydrophobicContact CG2-CG1 3.85Å; V132-I151 CarbonylContact C-O 3.22Å; V132-I151 WeakPolarHBondContact CA-O 3.22Å; V132-I151 VanDerWaalsContact CG1-O 3.3Å; V132-I151 WeakPolarHBondContact CG1-O 3.37Å; V133-I151 HydrophobicContact CB-CB 4.12Å; V133-I151 HydrophobicContact CB-CG2 3.93Å; V133-I151 HydrophobicContact CG2-CG2 3.92Å; V133-I151 PolarHBondContact N-O 3.19Å; I151-V207 HydrophobicContact CD1-CG1 4.26Å; I151-V207 HydrophobicContact CG2-CG1 3.72Å; I151-A264 CarbonylContact C-O 3.6Å
152V94.8Very high92.4Very high0 Ų041.8 Ų41.80%019%0.193CC..EExtended strand (participates in β ladder)trans-109.4133.6-176.4-1760000109.2V130 D131 L146 V154 P161 L164 A264V130-V152 HydrophobicContact CG1-CG1 3.46Å; V130-V152 VanDerWaalsContact CG1-CG1 3.46Å; D131-V152 WeakPolarHBondContact O-CG1 3.36Å; L146-V152 HydrophobicContact CD2-CG2 3.98Å; V152-V154 HydrophobicContact CG1-CG2 3.78Å; V152-P161 HydrophobicContact CG1-CG 4.43Å; V152-L164 HydrophobicContact CB-CD1 4.39Å; V152-L164 HydrophobicContact CB-CD2 4.39Å; V152-L164 HydrophobicContact CG1-CD1 4.49Å; V152-L164 HydrophobicContact CG2-CD2 4.08Å; V152-A264 PolarHBondContact N-O 3.46Å; V152-A264 PolarHBondContact O-N 2.99Å
153M94.9Very high92.5Very high14 Ų1438.6 Ų38.67%0.06918%0.178CC..EExtended strand (participates in β ladder)trans-98.8127.1167.5-172.4-171.576.100108.3D131 V138 R155 H261 I262 Y263D131-M153 HydrophobicContact CB-CB 4.24Å; D131-M153 HydrophobicContact CB-CE 3.96Å; D131-M153 WeakPolarHBondContact CB-O 3.47Å; D131-M153 PolarHBondContact O-N 3.46Å; D131-M153 VanDerWaalsContact OD2-CE 3.31Å; D131-M153 WeakPolarHBondContact OD2-CE 3.46Å; V138-M153 HydrophobicContact CG1-CE 3.85Å; V138-M153 HydrophobicContact CG1-SD 4.47Å; V138-M153 HydrophobicContact CG2-CE 4.21Å; V138-M153 HydrophobicContact CG2-SD 3.9Å; M153-R155 HydrophobicContact CE-CG 4.31Å; M153-H261 HydrophobicContact CG-CB 4.46Å; M153-I262 WeakPolarHBondContact CA-O 3.27Å; M153-Y263 HydrophobicContact CB-CD1 4.16Å; M153-Y263 HydrophobicContact CB-CE1 4.07Å; M153-Y263 HydrophobicContact CG-CD1 4.23Å; M153-Y263 HydrophobicContact CG-CE1 3.89Å; M153-Y263 HydrophobicContact SD-CE1 4.16Å
154V94.8Very high92.7Very high3 Ų338.5 Ų38.52%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-121.2130.1-179.2-173.70000108.7V152 E158 F160 L164 L256 H261 I262V152-V154 HydrophobicContact CG1-CG2 3.78Å; V154-E158 HydrophobicContact CG1-CB 3.86Å; V154-F160 HydrophobicContact CB-CD1 4.32Å; V154-F160 HydrophobicContact CB-CE1 4.07Å; V154-F160 HydrophobicContact CG1-CD1 3.91Å; V154-F160 HydrophobicContact CG1-CE1 3.74Å; V154-F160 HydrophobicContact CG2-CD1 3.94Å; V154-F160 HydrophobicContact CG2-CE1 4.1Å; V154-L164 HydrophobicContact CG2-CD1 4.12Å; V154-L256 HydrophobicContact CG1-CB 4.36Å; V154-L256 HydrophobicContact CG1-CD2 4.42Å; V154-L256 WeakPolarHBondContact O-CD2 3.43Å; V154-H261 CarbonylContact O-C 3.47Å; V154-H261 WeakPolarHBondContact O-CA 3.45Å; V154-I262 HydrophobicContact CB-CD1 4.45Å; V154-I262 HydrophobicContact CB-CG1 3.93Å; V154-I262 PolarHBondContact N-O 3.02Å; V154-I262 PolarHBondContact O-N 2.92Å
155R93.9Very high92.9Very high117 Ų11735.7 Ų35.744%0.44216%0.164SC..EExtended strand (participates in β ladder)trans-93.8165.3-179-55.6-179.3-169.3-156.6-2.2111.7D131 M153 D157 E158 L256 Q260D131-R155 IonicContact OD2-CZ 2.67Å; D131-R155 VanDerWaalsContact OD2-CZ 3.25Å; D131-R155 IonicContact OD2-NE 2.93Å; D131-R155 PolarHBondContact OD2-NE 3.43Å; D131-R155 IonicContact OD2-NH2 3.69Å; D131-R155 PolarHBondContact OD2-NH2 2.91Å; M153-R155 HydrophobicContact CE-CG 4.31Å; R155-D157 PolarHBondContact O-N 3.19Å; R155-E158 HydrophobicContact CB-CG 4.2Å; R155-E158 PolarHBondContact N-OE2 3.42Å; R155-E158 VanDerWaalsContact N-OE2 3.07Å; R155-E158 WeakPolarHBondContact O-CB 3.23Å; R155-E158 PolarHBondContact O-N 3.42Å; R155-E158 VanDerWaalsContact O-N 3.14Å; R155-L256 WeakPolarHBondContact O-CD2 3.49Å; R155-Q260 WeakPolarHBondContact CA-O 3.4Å
156E91.5Very high93Very high67 Ų6730 Ų3031%0.31314%0.14SC..THydrogen-bonded Turntrans-51.8139.3173.8-164.9170.4-165.600111.1E158 N258 T259 Q260E156-E158 PolarHBondContact O-N 2.89Å; E156-E158 VanDerWaalsContact O-N 3.14Å; E156-N258 VanDerWaalsContact OE1-CA 3.25Å; E156-N258 WeakPolarHBondContact OE1-CA 3.42Å; E156-N258 PolarHBondContact OE1-N 3.46Å; E156-T259 WeakPolarHBondContact CA-O 3.36Å; E156-T259 VanDerWaalsContact CB-O 3.29Å; E156-T259 WeakPolarHBondContact CB-O 3.33Å; E156-Q260 PolarHBondContact N-O 2.94Å
157D87.6Confident93Very high94 Ų9430 Ų3050%0.50314%0.14SC..THydrogen-bonded Turntrans66.11.5-178-61-43.8000116.3R155 L256 K257R155-D157 PolarHBondContact O-N 3.19Å; D157-L256 VanDerWaalsContact CA-O 3.29Å; D157-L256 WeakPolarHBondContact CA-O 3.47Å; D157-L256 PolarHBondContact N-O 3.47Å; D157-K257 VanDerWaalsContact OD1-CD 3.26Å; D157-K257 WeakPolarHBondContact OD1-CD 3.24Å; D157-K257 WeakPolarHBondContact OD1-CE 3.36Å; D157-K257 IonicContact OD1-NZ 2.58Å; D157-K257 PolarHBondContact OD1-NZ 3.1Å
158E89.9Confident93.1Very high51 Ų5122.3 Ų22.324%0.23811%0.11CC..PPolyproline II helixtrans-81150.4172.7-68-173.3153.200112.3R140 V154 R155 E156 T255 L256R140-E158 IonicContact NH2-OE1 3.1Å; V154-E158 HydrophobicContact CG1-CB 3.86Å; R155-E158 HydrophobicContact CB-CG 4.2Å; R155-E158 PolarHBondContact N-OE2 3.42Å; R155-E158 VanDerWaalsContact N-OE2 3.07Å; R155-E158 WeakPolarHBondContact O-CB 3.23Å; R155-E158 PolarHBondContact O-N 3.42Å; R155-E158 VanDerWaalsContact O-N 3.14Å; E156-E158 PolarHBondContact O-N 2.89Å; E156-E158 VanDerWaalsContact O-N 3.14Å; E158-T255 WeakPolarHBondContact O-CA 3.39Å; E158-L256 PolarHBondContact O-N 2.91Å
159T89.1Confident93.1Very high79 Ų7921.9 Ų21.949%0.48511%0.108SC..BIsolated β-bridgetrans-92.4137.6178.9-52.50000110.6G253 A254 T255T159-G253 VanDerWaalsContact CG2-CA 3.43Å; T159-A254 WeakPolarHBondContact CA-O 3.32Å; T159-T255 HydrophobicContact CG2-CG2 4.29Å; T159-T255 WeakPolarHBondContact OG1-CG2 3.38Å
160F92.8Very high93Very high2 Ų223.5 Ų23.51%0.00912%0.119CC..PPolyproline II helixtrans-66.1127.6177.7-59.9-51.6000111.7V154 L164 V178 L250 L251 R252 G253 A254 L256 I262V154-F160 HydrophobicContact CB-CD1 4.32Å; V154-F160 HydrophobicContact CB-CE1 4.07Å; V154-F160 HydrophobicContact CG1-CD1 3.91Å; V154-F160 HydrophobicContact CG1-CE1 3.74Å; V154-F160 HydrophobicContact CG2-CD1 3.94Å; V154-F160 HydrophobicContact CG2-CE1 4.1Å; F160-L164 HydrophobicContact CD1-CD1 3.96Å; F160-V178 HydrophobicContact CE2-CB 4.47Å; F160-V178 HydrophobicContact CE2-CG1 3.77Å; F160-V178 HydrophobicContact CE2-CG2 3.83Å; F160-V178 HydrophobicContact CZ-CG2 3.96Å; F160-L250 HydrophobicContact CD2-CB 4.02Å; F160-L250 HydrophobicContact CE1-CD1 3.99Å; F160-L250 HydrophobicContact CE2-CB 3.91Å; F160-L250 HydrophobicContact CE2-CD1 4.4Å; F160-L250 HydrophobicContact CE2-CD2 4.26Å; F160-L250 HydrophobicContact CE2-CG 4.43Å; F160-L250 HydrophobicContact CG-CB 4.38Å; F160-L250 HydrophobicContact CZ-CB 4.19Å; F160-L250 HydrophobicContact CZ-CD1 3.86Å; F160-L250 HydrophobicContact CZ-CD2 4.28Å; F160-L250 HydrophobicContact CZ-CG 4.35Å; F160-L251 WeakPolarHBondContact CD2-O 3.37Å; F160-R252 WeakPolarHBondContact O-CA 3.34Å; F160-G253 PolarHBondContact O-N 2.7Å; F160-A254 HydrophobicContact CD2-CB 3.92Å; F160-A254 VanDerWaalsContact CD2-O 3.26Å; F160-A254 WeakPolarHBondContact CD2-O 3.43Å; F160-A254 HydrophobicContact CE2-CB 4.26Å; F160-A254 PolarHBondContact N-O 2.73Å; F160-L256 HydrophobicContact CE1-CB 4.34Å; F160-L256 HydrophobicContact CZ-CB 4.13Å; F160-L256 HydrophobicContact CZ-CD1 4.23Å; F160-I262 HydrophobicContact CE1-CD1 3.74Å; F160-I262 HydrophobicContact CZ-CD1 4.08Å
161P91.2Very high92.6Very high13 Ų1326.9 Ų26.98%0.08413%0.131CC..SBendtrans-80.1-22-17331.4-37.2000114.1N48 V130 L146 V152 R252N48-P161 PolarHBondContact ND2-O 2.75Å; V130-P161 HydrophobicContact CG1-CG 3.92Å; V130-P161 HydrophobicContact CG2-CB 3.67Å; V130-P161 HydrophobicContact CG2-CG 3.95Å; L146-P161 HydrophobicContact CD1-CB 3.64Å; L146-P161 HydrophobicContact CD1-CG 3.54Å; V152-P161 HydrophobicContact CG1-CG 4.43Å; P161-R252 PolarHBondContact O-NE 2.79Å; P161-R252 PolarHBondContact O-NH1 2.96Å
162C93.8Very high91.8Very high0 Ų033.4 Ų33.40%017%0.166CC..SBendtrans-156.5-177.6178.865.40000108.8L164 R252 Y268 T269 T273C162-L164 WeakPolarHBondContact SG-CD2 3.26Å; C162-R252 PolarHBondContact O-N 3.27Å; C162-Y268 VanDerWaalsContact CB-O 3.32Å; C162-Y268 WeakPolarHBondContact CB-O 3.42Å; C162-T269 HydrophobicContact CB-CG2 4.32Å; C162-T273 HydrophobicContact CB-CG2 4.22Å
163D95.2Very high91Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-82.6121.4178.2-57.4-21.9000109.1L249 L250 R252 V267 Y268 T273 K274D163-L249 HydrophobicContact CB-CD1 4.26Å; D163-L250 CarbonylContact C-O 3.38Å; D163-L250 VanDerWaalsContact CA-O 3.29Å; D163-L250 WeakPolarHBondContact CA-O 3.4Å; D163-R252 WeakPolarHBondContact OD1-CB 3.5Å; D163-R252 PolarHBondContact OD1-N 3.03Å; D163-V267 PolarHBondContact O-N 3.3Å; D163-Y268 HydrophobicContact CB-CD2 3.95Å; D163-Y268 HydrophobicContact CB-CG 4.43Å; D163-Y268 PolarHBondContact N-O 2.86Å; D163-Y268 VanDerWaalsContact N-O 3.09Å; D163-Y268 PolarHBondContact O-N 3.04Å; D163-T273 VanDerWaalsContact OD2-CA 3.26Å; D163-T273 WeakPolarHBondContact OD2-CA 3.1Å; D163-K274 PolarHBondContact OD2-N 3.46Å
164L95.8Very high90.4Very high0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-116.7149-171.6-48.9172.1000111.5V152 V154 F160 C162 L249 L250 A264 V265 A266V152-L164 HydrophobicContact CB-CD1 4.39Å; V152-L164 HydrophobicContact CB-CD2 4.39Å; V152-L164 HydrophobicContact CG1-CD1 4.49Å; V152-L164 HydrophobicContact CG2-CD2 4.08Å; V154-L164 HydrophobicContact CG2-CD1 4.12Å; F160-L164 HydrophobicContact CD1-CD1 3.96Å; C162-L164 WeakPolarHBondContact SG-CD2 3.26Å; L164-L249 CarbonylContact O-C 3.51Å; L164-L250 HydrophobicContact CB-CB 4.22Å; L164-L250 PolarHBondContact N-O 2.93Å; L164-L250 PolarHBondContact O-N 3.18Å; L164-A264 HydrophobicContact CB-CB 3.71Å; L164-A264 HydrophobicContact CD1-CB 4Å; L164-A264 HydrophobicContact CG-CB 4.41Å; L164-V265 CarbonylContact C-O 3.6Å; L164-V265 WeakPolarHBondContact CA-O 3.47Å; L164-A266 HydrophobicContact CD2-CB 3.96Å
165I95.7Very high90Very high0 Ų036.8 Ų36.80%019%0.185CC..EExtended strand (participates in β ladder)trans-98126.1166.5-67.3-67.4000109.4L167 I214 F226 L244 N248 L249 A264 V265 V267I165-L167 PolarHBondContact O-N 2.95Å; I165-I214 HydrophobicContact CB-CD1 4.23Å; I165-I214 HydrophobicContact CG1-CD1 4.37Å; I165-I214 HydrophobicContact CG2-CD1 4.27Å; I165-F226 HydrophobicContact CD1-CD1 4.39Å; I165-F226 HydrophobicContact CD1-CE1 3.55Å; I165-F226 HydrophobicContact CD1-CZ 3.72Å; I165-L244 HydrophobicContact CD1-CD1 4.3Å; I165-L244 HydrophobicContact CG1-CD1 4.48Å; I165-L244 HydrophobicContact CG2-CD1 4.24Å; I165-L244 HydrophobicContact CG2-CD2 4.18Å; I165-N248 WeakPolarHBondContact CA-O 3.25Å; I165-L249 HydrophobicContact CD1-CB 4.25Å; I165-L249 HydrophobicContact CD1-CD1 3.8Å; I165-L249 HydrophobicContact CG1-CD1 4.5Å; I165-A264 CarbonylContact O-C 3.51Å; I165-A264 WeakPolarHBondContact O-CA 3.32Å; I165-A264 VanDerWaalsContact O-CB 3.28Å; I165-A264 WeakPolarHBondContact O-CB 3.34Å; I165-V265 HydrophobicContact CB-CG1 3.89Å; I165-V265 HydrophobicContact CG2-CG1 4.47Å; I165-V265 PolarHBondContact N-O 2.94Å; I165-V265 PolarHBondContact O-N 3.09Å; I165-V267 HydrophobicContact CB-CG2 4.26Å; I165-V267 HydrophobicContact CG1-CB 4.45Å; I165-V267 HydrophobicContact CG1-CG2 3.45Å; I165-V267 VanDerWaalsContact CG1-CG2 3.45Å
166F95.2Very high89.8Confident0 Ų031.2 Ų31.20%016%0.164CC..EExtended strand (participates in β ladder)trans-74.4118.7-175.7-178.7-149.5000111.8S168 G174 C176 Y192 Y193 A194 V195 N248 L250 I262F166-S168 VanDerWaalsContact CE2-O 3.24Å; F166-S168 WeakPolarHBondContact CE2-O 3.44Å; F166-G174 WeakPolarHBondContact CE1-O 3.21Å; F166-C176 HydrophobicContact CE1-CB 4.11Å; F166-C176 VanDerWaalsContact CE1-SG 3.56Å; F166-C176 HydrophobicContact CE2-CB 4.32Å; F166-C176 HydrophobicContact CZ-CB 3.79Å; F166-Y192 WeakPolarHBondContact CE1-O 3.4Å; F166-Y193 WeakPolarHBondContact CD1-O 3.33Å; F166-Y193 VanDerWaalsContact CE1-C 3.47Å; F166-A194 HydrophobicContact CD1-CB 4.03Å; F166-A194 HydrophobicContact CE1-CB 3.74Å; F166-A194 HydrophobicContact CE2-CB 4.31Å; F166-A194 HydrophobicContact CG-CB 4.39Å; F166-A194 HydrophobicContact CZ-CB 3.87Å; F166-V195 PolarHBondContact O-N 2.99Å; F166-N248 PolarHBondContact N-O 3.25Å; F166-L250 HydrophobicContact CB-CD1 3.96Å; F166-L250 HydrophobicContact CB-CG 4.12Å; F166-L250 HydrophobicContact CD2-CD1 4.47Å; F166-L250 HydrophobicContact CG-CD1 4.35Å; F166-I262 HydrophobicContact CD2-CB 4.26Å; F166-I262 HydrophobicContact CD2-CD1 4.29Å; F166-I262 HydrophobicContact CD2-CG2 4.48Å; F166-I262 HydrophobicContact CE2-CB 3.86Å; F166-I262 HydrophobicContact CE2-CG2 3.72Å; F166-I262 HydrophobicContact CZ-CG2 4.36Å
167L93.1Very high89.6Confident1 Ų129.4 Ų29.41%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-100.6-50.8-176.9-61.9176.8000112.4I28 I165 A194 T198 V207 L210 I230 Y263 V265I28-L167 HydrophobicContact CD1-CD2 4.26Å; I165-L167 PolarHBondContact O-N 2.95Å; L167-A194 WeakPolarHBondContact O-CB 3.48Å; L167-T198 PolarHBondContact O-OG1 3.39Å; L167-V207 HydrophobicContact CD1-CG1 4.27Å; L167-L210 HydrophobicContact CD1-CD2 4.32Å; L167-L210 HydrophobicContact CD2-CD2 4.46Å; L167-I230 HydrophobicContact CD2-CD1 4.39Å; L167-Y263 WeakPolarHBondContact CB-O 3.44Å; L167-Y263 PolarHBondContact N-O 2.71Å; L167-V265 HydrophobicContact CD1-CB 4.18Å; L167-V265 HydrophobicContact CD1-CG1 4.3Å; L167-V265 HydrophobicContact CD2-CG1 4.29Å; L167-V265 HydrophobicContact CG-CG1 4.35Å
168S93.8Very high89.6Confident0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-158.1160.6-179.268.90000112.2F166 T198 F201 I262 Y263F166-S168 VanDerWaalsContact CE2-O 3.24Å; F166-S168 WeakPolarHBondContact CE2-O 3.44Å; S168-T198 WeakPolarHBondContact CB-O 3.47Å; S168-F201 WeakPolarHBondContact CB-O 3.11Å; S168-F201 PolarHBondContact OG-O 3.49Å; S168-I262 WeakPolarHBondContact O-CA 3.43Å; S168-Y263 PolarHBondContact N-O 3.35Å; S168-Y263 PolarHBondContact O-N 2.85Å; S168-Y263 WeakPolarHBondContact OG-CD2 3.38Å
169S92.6Very high89.2Confident1 Ų122.9 Ų22.91%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-130.9161.2-175.81660000110.9R171 T175 T259S169-R171 PolarHBondContact O-N 2.74Å; S169-R171 PolarHBondContact OG-N 3.1Å; S169-R171 VanDerWaalsContact OG-N 3.16Å; S169-T175 WeakPolarHBondContact CB-O 3.32Å; S169-T175 PolarHBondContact OG-O 3.43Å; S169-T259 VanDerWaalsContact OG-CG2 3.27Å; S169-T259 WeakPolarHBondContact OG-CG2 3.2Å
170S89.4Confident88.4Confident34 Ų3419.2 Ų19.224%0.23810%0.099CC..SBendtrans-61.5-17.5169.768.30000113.5H261S170-H261 VanDerWaalsContact CB-CE1 3.46Å; S170-H261 WeakPolarHBondContact CB-CE1 3.19Å; S170-H261 PolarHBondContact N-O 2.72Å
171R84.8Confident87.1Confident85 Ų8520.7 Ų20.732%0.32111%0.108SC..SBendtrans-87.6140.9-179.7-59.8176.861.292.45.1111.7S169 D173 G174 T259S169-R171 PolarHBondContact O-N 2.74Å; S169-R171 PolarHBondContact OG-N 3.1Å; S169-R171 VanDerWaalsContact OG-N 3.16Å; R171-D173 WeakPolarHBondContact CB-OD1 3.5Å; R171-D173 IonicContact CZ-OD2 2.8Å; R171-D173 IonicContact NE-OD1 3.47Å; R171-D173 PolarHBondContact NE-OD1 3.49Å; R171-D173 IonicContact NE-OD2 2.79Å; R171-D173 PolarHBondContact NE-OD2 3.36Å; R171-D173 VanDerWaalsContact NE-OD2 3.11Å; R171-D173 IonicContact NH2-OD2 3.63Å; R171-D173 PolarHBondContact NH2-OD2 2.85Å; R171-D173 PolarHBondContact O-N 2.67Å; R171-G174 PolarHBondContact O-N 2.96Å; R171-T259 HydrophobicContact CG-CG2 4.41Å
172D78.8Confident85.8Confident140 Ų14022.4 Ų22.475%0.74912%0.12SC*.THydrogen-bonded Turntrans-66.1-22.8178.5-63.8-35.9000113.8G174 K202D172-G174 VanDerWaalsContact C-N 3.27Å; D172-G174 PolarHBondContact O-N 3.29Å; D172-K202 IonicContact OD1-NZ 3.07Å; D172-K202 PolarHBondContact OD1-NZ 3.39Å
173D77.1Confident84.4Confident74 Ų7422.4 Ų22.440%0.39612%0.121SC..THydrogen-bonded Turntrans-80.5-3.4179.760.317.7000113.7R171 T175R171-D173 WeakPolarHBondContact CB-OD1 3.5Å; R171-D173 IonicContact CZ-OD2 2.8Å; R171-D173 IonicContact NE-OD1 3.47Å; R171-D173 PolarHBondContact NE-OD1 3.49Å; R171-D173 IonicContact NE-OD2 2.79Å; R171-D173 PolarHBondContact NE-OD2 3.36Å; R171-D173 VanDerWaalsContact NE-OD2 3.11Å; R171-D173 IonicContact NH2-OD2 3.63Å; R171-D173 PolarHBondContact NH2-OD2 2.85Å; R171-D173 PolarHBondContact O-N 2.67Å; D173-T175 HydrophobicContact CB-CG2 4.39Å; D173-T175 PolarHBondContact O-N 2.6Å; D173-T175 PolarHBondContact OD1-N 2.95Å; D173-T175 PolarHBondContact OD1-OG1 3.38Å; D173-T175 PolarHBondContact OD2-OG1 3.3Å
174G82.4Confident82.6Confident2 Ų222.9 Ų22.92%0.02112%0.123CC..  trans64.723.5-179.500000113.7F166 R171 D172 A194F166-G174 WeakPolarHBondContact CE1-O 3.21Å; R171-G174 PolarHBondContact O-N 2.96Å; D172-G174 VanDerWaalsContact C-N 3.27Å; D172-G174 PolarHBondContact O-N 3.29Å; G174-A194 VanDerWaalsContact O-CB 3.25Å; G174-A194 WeakPolarHBondContact O-CB 3.43Å; G174-A194 PolarHBondContact O-N 3.27Å
175T86.1Confident80.4Confident13 Ų1322.9 Ų22.98%0.0812%0.123CC..EExtended strand (participates in β ladder)trans-107.3158178.768.60000112.2S169 D173 T191 Y192 Y193S169-T175 WeakPolarHBondContact CB-O 3.32Å; S169-T175 PolarHBondContact OG-O 3.43Å; D173-T175 HydrophobicContact CB-CG2 4.39Å; D173-T175 PolarHBondContact O-N 2.6Å; D173-T175 PolarHBondContact OD1-N 2.95Å; D173-T175 PolarHBondContact OD1-OG1 3.38Å; D173-T175 PolarHBondContact OD2-OG1 3.3Å; T175-T191 HydrophobicContact CG2-CG2 4.14Å; T175-Y192 WeakPolarHBondContact CA-O 3.11Å; T175-Y193 HydrophobicContact CG2-CD1 3.8Å; T175-Y193 HydrophobicContact CG2-CE1 3.73Å
176C89.6Confident78.6Confident0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-139.2157.8163.568.90000111F166 T191 Y192 L256 T259 I262F166-C176 HydrophobicContact CE1-CB 4.11Å; F166-C176 VanDerWaalsContact CE1-SG 3.56Å; F166-C176 HydrophobicContact CE2-CB 4.32Å; F166-C176 HydrophobicContact CZ-CB 3.79Å; C176-T191 WeakPolarHBondContact O-CA 3.43Å; C176-Y192 PolarHBondContact N-O 2.74Å; C176-Y192 PolarHBondContact O-N 2.87Å; C176-L256 HydrophobicContact CB-CD1 3.95Å; C176-T259 HydrophobicContact CB-CG2 4Å; C176-I262 HydrophobicContact CB-CG2 3.8Å
177Y88.1Confident76.7Confident29 Ų2928.6 Ų28.611%0.11416%0.156CC..EExtended strand (participates in β ladder)trans-108.7134.6176.7-58.7-87.7000110.6H189 K190 T191 K257 N258 T259 Q482Y177-H189 HydrophobicContact CD1-CB 4.36Å; Y177-K190 CarbonylContact C-O 3.57Å; Y177-K190 WeakPolarHBondContact CA-O 3.31Å; Y177-T191 HydrophobicContact CE1-CG2 4.45Å; Y177-T191 VanDerWaalsContact CE1-OG1 3.32Å; Y177-T191 WeakPolarHBondContact CE1-OG1 3.14Å; Y177-K257 WeakPolarHBondContact CB-O 3.37Å; Y177-K257 PolarHBondContact O-N 3.28Å; Y177-K257 VanDerWaalsContact O-O 3.04Å; Y177-N258 HydrophobicContact CD2-CB 4.09Å; Y177-T259 PolarHBondContact N-OG1 2.92Å; Y177-Q482 PolarHBondContact OH-NE2 3.07Å
178V87.6Confident75.3Confident1 Ų129.6 Ų29.61%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-131.3135.9-175.3175.70000109.5F160 T180 K190 Y192 L250 A254 T255F160-V178 HydrophobicContact CE2-CB 4.47Å; F160-V178 HydrophobicContact CE2-CG1 3.77Å; F160-V178 HydrophobicContact CE2-CG2 3.83Å; F160-V178 HydrophobicContact CZ-CG2 3.96Å; V178-T180 HydrophobicContact CG1-CG2 4.28Å; V178-K190 PolarHBondContact N-O 3.12Å; V178-K190 PolarHBondContact O-N 3.3Å; V178-Y192 HydrophobicContact CB-CD2 3.79Å; V178-Y192 HydrophobicContact CB-CE2 3.72Å; V178-Y192 HydrophobicContact CG1-CE2 4.21Å; V178-Y192 HydrophobicContact CG2-CD2 3.7Å; V178-Y192 HydrophobicContact CG2-CE2 4.07Å; V178-Y192 HydrophobicContact CG2-CG 4.45Å; V178-L250 HydrophobicContact CG2-CD2 3.94Å; V178-A254 HydrophobicContact CG1-CB 3.57Å; V178-T255 WeakPolarHBondContact CA-O 3.4Å
179T82.1Confident74.5Confident6 Ų631.3 Ų31.34%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-98.2121.4167.120.90000110.3T181 S187 H189 A254 T255 K257T179-T181 VanDerWaalsContact C-N 3.31Å; T179-S187 WeakPolarHBondContact CG2-O 3.41Å; T179-H189 VanDerWaalsContact CG2-ND1 3.25Å; T179-H189 WeakPolarHBondContact CG2-ND1 3.48Å; T179-A254 WeakPolarHBondContact O-CA 3.49Å; T179-A254 WeakPolarHBondContact O-CB 3.45Å; T179-T255 PolarHBondContact N-O 3.28Å; T179-T255 PolarHBondContact O-N 2.89Å; T179-T255 PolarHBondContact O-OG1 2.97Å; T179-T255 PolarHBondContact OG1-O 3.44Å; T179-T255 PolarHBondContact OG1-OG1 2.85Å; T179-K257 HydrophobicContact CG2-CG 4.35Å; T179-K257 WeakPolarHBondContact OG1-CE 3.35Å; T179-K257 WeakPolarHBondContact OG1-CG 3.34Å
180T72.3Confident73.8Confident2 Ų233.3 Ų33.31%0.01218%0.18CC..  trans-95.821.8175.453.40000112V178 S182 L183 D184 E186 K190 A254V178-T180 HydrophobicContact CG1-CG2 4.28Å; T180-S182 PolarHBondContact O-N 3.43Å; T180-L183 CarbonylContact O-C 3.59Å; T180-L183 WeakPolarHBondContact O-CA 3.42Å; T180-L183 PolarHBondContact O-N 3.46Å; T180-D184 WeakPolarHBondContact CB-OD1 3.37Å; T180-D184 PolarHBondContact O-N 2.99Å; T180-D184 VanDerWaalsContact OG1-CG 3.25Å; T180-D184 PolarHBondContact OG1-OD1 2.87Å; T180-D184 PolarHBondContact OG1-OD2 2.91Å; T180-D184 VanDerWaalsContact OG1-OD2 3.1Å; T180-E186 CarbonylContact C-O 3.5Å; T180-K190 HydrophobicContact CG2-CD 4.32Å; T180-K190 WeakPolarHBondContact OG1-CE 3.5Å; T180-K190 PolarHBondContact OG1-NZ 3.42Å; T180-A254 HydrophobicContact CG2-CB 3.98Å
181T64.7Low73.5Confident33 Ų3334.2 Ų34.220%0.20218%0.184CC..THydrogen-bonded Turntrans-48.9-39.1178.4-490000112.6T179 L183 E186 E842 G843T179-T181 VanDerWaalsContact C-N 3.31Å; T181-L183 VanDerWaalsContact C-N 3.34Å; T181-E186 VanDerWaalsContact CA-O 3.32Å; T181-E186 WeakPolarHBondContact CA-O 3.27Å; T181-E186 PolarHBondContact N-O 3.1Å; T181-E186 PolarHBondContact OG1-O 2.97Å; T181-E186 VanDerWaalsContact OG1-O 3.07Å; T181-E842 VanDerWaalsContact CA-O 3.27Å; T181-E842 WeakPolarHBondContact CA-O 3.34Å; T181-E842 WeakPolarHBondContact CG2-O 3.49Å; T181-G843 WeakPolarHBondContact O-CA 3.3Å
182S63.4Low73.7Confident49 Ų4931.3 Ų31.334%0.34317%0.173SC..THydrogen-bonded Turntrans-79.9-14176.1-49.30000114.8T180 G253 Q845T180-S182 PolarHBondContact O-N 3.43Å; S182-G253 WeakPolarHBondContact CB-O 3.37Å; S182-G253 PolarHBondContact OG-O 3.31Å; S182-Q845 VanDerWaalsContact O-CD 3.29Å; S182-Q845 WeakPolarHBondContact O-CG 3.35Å; S182-Q845 PolarHBondContact O-NE2 3.41Å
183L65.1Low74.1Confident1 Ų129 Ų291%0.00516%0.155CC..THydrogen-bonded Turntrans-82.1-64.8-179.535.6124.5000120.2T180 T181 L251 R252 A254 M275 Q845T180-L183 CarbonylContact O-C 3.59Å; T180-L183 WeakPolarHBondContact O-CA 3.42Å; T180-L183 PolarHBondContact O-N 3.46Å; T181-L183 VanDerWaalsContact C-N 3.34Å; L183-L251 HydrophobicContact CD1-CB 3.31Å; L183-L251 HydrophobicContact CD1-CD1 3.96Å; L183-L251 HydrophobicContact CD1-CG 4.29Å; L183-R252 VanDerWaalsContact CD1-O 3.29Å; L183-R252 WeakPolarHBondContact CD1-O 3.47Å; L183-R252 WeakPolarHBondContact CD2-O 3.37Å; L183-A254 HydrophobicContact CD1-CB 3.99Å; L183-M275 HydrophobicContact CD2-CB 4.03Å; L183-M275 HydrophobicContact CD2-CE 3.97Å; L183-M275 HydrophobicContact CD2-CG 3.61Å; L183-M275 HydrophobicContact CD2-SD 3.5Å; L183-M275 WeakPolarHBondContact CD2-SD 3.24Å; L183-Q845 PolarHBondContact O-NE2 2.93Å; L183-Q845 PolarHBondContact O-OE1 3.34Å
184D57.1Low74.8Confident9 Ų925.6 Ų25.65%0.04814%0.136CC..THydrogen-bonded Turntrans-130.1-10.4-171.245.914000111.1T180 E186 K190 Y224 A823T180-D184 WeakPolarHBondContact CB-OD1 3.37Å; T180-D184 PolarHBondContact O-N 2.99Å; T180-D184 VanDerWaalsContact OG1-CG 3.25Å; T180-D184 PolarHBondContact OG1-OD1 2.87Å; T180-D184 PolarHBondContact OG1-OD2 2.91Å; T180-D184 VanDerWaalsContact OG1-OD2 3.1Å; D184-E186 HydrophobicContact CB-CG 4.43Å; D184-E186 WeakPolarHBondContact OD1-CB 3.39Å; D184-E186 PolarHBondContact OD1-N 3.12Å; D184-K190 IonicContact OD2-NZ 3.3Å; D184-K190 PolarHBondContact OD2-NZ 2.8Å; D184-Y224 WeakPolarHBondContact CB-OH 3.42Å; D184-Y224 PolarHBondContact OD2-OH 3.08Å; D184-Y224 VanDerWaalsContact OD2-OH 3.09Å; D184-A823 VanDerWaalsContact C-CB 3.49Å; D184-A823 HydrophobicContact CB-CB 4.28Å; D184-A823 WeakPolarHBondContact O-CB 3.22Å; D184-A823 PolarHBondContact O-N 3.06Å
185G50.1Low74.9Confident1 Ų125.6 Ų25.61%0.0114%0.136CC..SBendtrans88.55-169.200000112.2S187 E842G185-S187 PolarHBondContact O-N 3.33Å; G185-E842 CarbonylContact C-O 3.5Å; G185-E842 WeakPolarHBondContact CA-O 3.23Å; G185-E842 CarbonylContact O-C 3.54Å; G185-E842 WeakPolarHBondContact O-CA 3.3Å; G185-E842 WeakPolarHBondContact O-CB 3.05Å; G185-E842 WeakPolarHBondContact O-CG 3.46Å
186E58Low74.8Confident65 Ų6529.2 Ų29.230%0.30416%0.16SC..  trans-84.7117.6-179.2-64.1-179.6-165.100109.9T180 T181 D184 S188 K190T180-E186 CarbonylContact C-O 3.5Å; T181-E186 VanDerWaalsContact CA-O 3.32Å; T181-E186 WeakPolarHBondContact CA-O 3.27Å; T181-E186 PolarHBondContact N-O 3.1Å; T181-E186 PolarHBondContact OG1-O 2.97Å; T181-E186 VanDerWaalsContact OG1-O 3.07Å; D184-E186 HydrophobicContact CB-CG 4.43Å; D184-E186 WeakPolarHBondContact OD1-CB 3.39Å; D184-E186 PolarHBondContact OD1-N 3.12Å; E186-S188 VanDerWaalsContact C-N 3.27Å; E186-K190 IonicContact OE1-NZ 3.87Å; E186-K190 WeakPolarHBondContact OE2-CE 3.24Å; E186-K190 IonicContact OE2-NZ 2.92Å; E186-K190 PolarHBondContact OE2-NZ 2.96Å
187S55.1Low74.6Confident55 Ų5531.7 Ų31.739%0.38517%0.173SC..  trans-79.9-11.8174.257.60000112.7T179 G185T179-S187 WeakPolarHBondContact CG2-O 3.41Å; G185-S187 PolarHBondContact O-N 3.33Å
188S64.1Low74.5Confident21 Ų2130.3 Ų30.315%0.14717%0.168CC..SBendtrans-62.2137.7175.760.90000111.9E186 K190 S508E186-S188 VanDerWaalsContact C-N 3.27Å; S188-K190 PolarHBondContact O-N 2.87Å; S188-S508 WeakPolarHBondContact CB-O 3.05Å
189H76.1Confident74.3Confident36 Ų3633.1 Ų33.117%0.16718%0.182CC..EExtended strand (participates in β ladder)trans-74.8118.1167.6-61-45.4000110.2Y177 T179 I506 S508Y177-H189 HydrophobicContact CD1-CB 4.36Å; T179-H189 VanDerWaalsContact CG2-ND1 3.25Å; T179-H189 WeakPolarHBondContact CG2-ND1 3.48Å; H189-I506 WeakPolarHBondContact CD2-CG2 3.27Å; H189-I506 WeakPolarHBondContact NE2-CG2 3.35Å; H189-S508 WeakPolarHBondContact O-CB 3.18Å
190K78.4Confident74.4Confident43 Ų4336.6 Ų36.619%0.18721%0.211CC..EExtended strand (participates in β ladder)trans-92.8138.7173.9-64.4-179.7-175-176.20109.6Y177 V178 T180 D184 E186 S188 Y192Y177-K190 CarbonylContact C-O 3.57Å; Y177-K190 WeakPolarHBondContact CA-O 3.31Å; V178-K190 PolarHBondContact N-O 3.12Å; V178-K190 PolarHBondContact O-N 3.3Å; T180-K190 HydrophobicContact CG2-CD 4.32Å; T180-K190 WeakPolarHBondContact OG1-CE 3.5Å; T180-K190 PolarHBondContact OG1-NZ 3.42Å; D184-K190 IonicContact OD2-NZ 3.3Å; D184-K190 PolarHBondContact OD2-NZ 2.8Å; E186-K190 IonicContact OE1-NZ 3.87Å; E186-K190 WeakPolarHBondContact OE2-CE 3.24Å; E186-K190 IonicContact OE2-NZ 2.92Å; E186-K190 PolarHBondContact OE2-NZ 2.96Å; S188-K190 PolarHBondContact O-N 2.87Å; K190-Y192 HydrophobicContact CB-CD2 4.34Å; K190-Y192 HydrophobicContact CB-CE2 3.77Å
191T82.5Confident75.1Confident54 Ų5438.7 Ų38.733%0.33122%0.22SC..EExtended strand (participates in β ladder)trans-90.1129.8176.2-52.80000109.9T175 C176 Y177 Y193T175-T191 HydrophobicContact CG2-CG2 4.14Å; C176-T191 WeakPolarHBondContact O-CA 3.43Å; Y177-T191 HydrophobicContact CE1-CG2 4.45Å; Y177-T191 VanDerWaalsContact CE1-OG1 3.32Å; Y177-T191 WeakPolarHBondContact CE1-OG1 3.14Å; T191-Y193 HydrophobicContact CG2-CE1 4.33Å
192Y88.4Confident76Confident24 Ų2441.8 Ų41.89%0.09423%0.23CC..EExtended strand (participates in β ladder)trans-116.1150.7174.3-74.4-100.2000109.8F166 T175 C176 V178 K190 A246 E247 L249 L250F166-Y192 WeakPolarHBondContact CE1-O 3.4Å; T175-Y192 WeakPolarHBondContact CA-O 3.11Å; C176-Y192 PolarHBondContact N-O 2.74Å; C176-Y192 PolarHBondContact O-N 2.87Å; V178-Y192 HydrophobicContact CB-CD2 3.79Å; V178-Y192 HydrophobicContact CB-CE2 3.72Å; V178-Y192 HydrophobicContact CG1-CE2 4.21Å; V178-Y192 HydrophobicContact CG2-CD2 3.7Å; V178-Y192 HydrophobicContact CG2-CE2 4.07Å; V178-Y192 HydrophobicContact CG2-CG 4.45Å; K190-Y192 HydrophobicContact CB-CD2 4.34Å; K190-Y192 HydrophobicContact CB-CE2 3.77Å; Y192-A246 WeakPolarHBondContact CE1-O 3.18Å; Y192-E247 WeakPolarHBondContact CA-O 3.38Å; Y192-E247 VanDerWaalsContact CD1-O 3.25Å; Y192-E247 WeakPolarHBondContact CD1-O 3.36Å; Y192-L249 WeakPolarHBondContact CE1-O 3.49Å; Y192-L250 HydrophobicContact CD1-CD2 3.76Å; Y192-L250 HydrophobicContact CD2-CD2 4.25Å; Y192-L250 HydrophobicContact CE1-CD2 4.34Å; Y192-L250 HydrophobicContact CG-CD2 3.72Å
193Y87.8Confident77.2Confident91 Ų9141.9 Ų41.936%0.35723%0.229SC..EExtended strand (participates in β ladder)trans-116.4132.7-173.1-63.2-80.3000111.7F166 T175 T191 E247 N248F166-Y193 WeakPolarHBondContact CD1-O 3.33Å; F166-Y193 VanDerWaalsContact CE1-C 3.47Å; T175-Y193 HydrophobicContact CG2-CD1 3.8Å; T175-Y193 HydrophobicContact CG2-CE1 3.73Å; T191-Y193 HydrophobicContact CG2-CE1 4.33Å; Y193-E247 HydrophobicContact CD2-CB 4.3Å; Y193-E247 PolarHBondContact N-O 2.98Å; Y193-N248 PolarHBondContact O-ND2 3.37Å
194A91.3Very high78.2Confident2 Ų245 Ų452%0.01724%0.243CC..  trans-70.8159.9174.400000110.8F166 L167 G174 M199F166-A194 HydrophobicContact CD1-CB 4.03Å; F166-A194 HydrophobicContact CE1-CB 3.74Å; F166-A194 HydrophobicContact CE2-CB 4.31Å; F166-A194 HydrophobicContact CG-CB 4.39Å; F166-A194 HydrophobicContact CZ-CB 3.87Å; L167-A194 WeakPolarHBondContact O-CB 3.48Å; G174-A194 VanDerWaalsContact O-CB 3.25Å; G174-A194 WeakPolarHBondContact O-CB 3.43Å; G174-A194 PolarHBondContact O-N 3.27Å; A194-M199 HydrophobicContact CB-CE 4.14Å; A194-M199 HydrophobicContact CB-CG 3.84Å; A194-M199 VanDerWaalsContact O-CE 3.3Å; A194-M199 WeakPolarHBondContact O-CE 3.43Å
195V86.3Confident79.7Confident3 Ų350.1 Ų50.12%0.01827%0.267CS..  trans-66.1127172.4178.40000108.8F166 D197 T198 M199 I230 L244F166-V195 PolarHBondContact O-N 2.99Å; V195-D197 VanDerWaalsContact C-N 3.32Å; V195-D197 PolarHBondContact O-N 3.04Å; V195-T198 HydrophobicContact CB-CG2 4.4Å; V195-T198 WeakPolarHBondContact CB-OG1 3.43Å; V195-T198 HydrophobicContact CG1-CG2 4.42Å; V195-T198 PolarHBondContact O-N 2.99Å; V195-T198 PolarHBondContact O-OG1 2.84Å; V195-M199 PolarHBondContact O-N 3.44Å; V195-I230 HydrophobicContact CG1-CG2 4Å; V195-I230 HydrophobicContact CG2-CG2 4.38Å; V195-L244 HydrophobicContact CG2-CD2 3.7Å
196P83Confident81.4Confident88 Ų8853.6 Ų53.657%0.57128%0.283SS*.G310 helixtrans-54.9-41.9-171.2-29.635.2000114.6T198 M199P196-T198 PolarHBondContact O-N 2.84Å; P196-M199 PolarHBondContact O-N 3.32Å
197D84.9Confident82.7Confident53 Ų5350.5 Ų50.528%0.28327%0.269SS..G310 helixtrans-72.5-14-178.8-60.7-83000113.3V195 I232 R242V195-D197 VanDerWaalsContact C-N 3.32Å; V195-D197 PolarHBondContact O-N 3.04Å; D197-I232 HydrophobicContact CB-CD1 3.73Å; D197-R242 IonicContact OD1-NH2 3.36Å; D197-R242 PolarHBondContact OD1-NH2 2.89Å; D197-R242 WeakPolarHBondContact OD2-CG 3.31Å; D197-R242 IonicContact OD2-CZ 3.62Å; D197-R242 IonicContact OD2-NE 2.78Å; D197-R242 PolarHBondContact OD2-NE 3.24Å; D197-R242 IonicContact OD2-NH2 3.52Å; D197-R242 PolarHBondContact OD2-NH2 3.42Å
198T86.1Confident84.2Confident0 Ų049.4 Ų49.40%026%0.258CS..G310 helixtrans-106.9-5.4179.363.70000113.3L167 S168 V195 P196 A200 F201 L210 I232L167-T198 PolarHBondContact O-OG1 3.39Å; S168-T198 WeakPolarHBondContact CB-O 3.47Å; V195-T198 HydrophobicContact CB-CG2 4.4Å; V195-T198 WeakPolarHBondContact CB-OG1 3.43Å; V195-T198 HydrophobicContact CG1-CG2 4.42Å; V195-T198 PolarHBondContact O-N 2.99Å; V195-T198 PolarHBondContact O-OG1 2.84Å; P196-T198 PolarHBondContact O-N 2.84Å; T198-A200 PolarHBondContact O-N 3.08Å; T198-A200 VanDerWaalsContact O-N 3.16Å; T198-F201 HydrophobicContact CG2-CD2 4.17Å; T198-F201 HydrophobicContact CG2-CE2 3.84Å; T198-F201 WeakPolarHBondContact O-CB 3.31Å; T198-F201 VanDerWaalsContact O-CD2 3.27Å; T198-F201 WeakPolarHBondContact O-CD2 3.01Å; T198-F201 PolarHBondContact O-N 2.69Å; T198-F201 VanDerWaalsContact O-N 3.09Å; T198-L210 HydrophobicContact CG2-CD1 4.32Å; T198-L210 HydrophobicContact CG2-CD2 4.03Å; T198-I232 HydrophobicContact CG2-CD1 4.01Å
199M83.9Confident85.3Confident60 Ų6052 Ų5230%0.29628%0.277SS..THydrogen-bonded Turntrans-58.1-28.8179.5-75.2-176.4175.500113.6A194 V195 P196 F201A194-M199 HydrophobicContact CB-CE 4.14Å; A194-M199 HydrophobicContact CB-CG 3.84Å; A194-M199 VanDerWaalsContact O-CE 3.3Å; A194-M199 WeakPolarHBondContact O-CE 3.43Å; V195-M199 PolarHBondContact O-N 3.44Å; P196-M199 PolarHBondContact O-N 3.32Å; M199-F201 PolarHBondContact O-N 3.41Å
200A83.9Confident85.8Confident78 Ų7850.8 Ų50.865%0.64527%0.271SS*.THydrogen-bonded Turntrans-70.2-18.8-179.600000113.4T198 K202T198-A200 PolarHBondContact O-N 3.08Å; T198-A200 VanDerWaalsContact O-N 3.16Å; A200-K202 PolarHBondContact O-N 3.05Å
201F86.9Confident86.3Confident47 Ų4751 Ų5121%0.20627%0.273CS..  trans-78.7112.9-176.3-55.9-46.4000111.3S168 T198 M199 E206 V207 L210S168-F201 WeakPolarHBondContact CB-O 3.11Å; S168-F201 PolarHBondContact OG-O 3.49Å; T198-F201 HydrophobicContact CG2-CD2 4.17Å; T198-F201 HydrophobicContact CG2-CE2 3.84Å; T198-F201 WeakPolarHBondContact O-CB 3.31Å; T198-F201 VanDerWaalsContact O-CD2 3.27Å; T198-F201 WeakPolarHBondContact O-CD2 3.01Å; T198-F201 PolarHBondContact O-N 2.69Å; T198-F201 VanDerWaalsContact O-N 3.09Å; M199-F201 PolarHBondContact O-N 3.41Å; F201-E206 WeakPolarHBondContact CA-OE2 3.26Å; F201-E206 HydrophobicContact CB-CB 4.04Å; F201-E206 HydrophobicContact CD1-CB 3.72Å; F201-E206 HydrophobicContact CD1-CG 4.38Å; F201-E206 HydrophobicContact CG-CB 4.21Å; F201-V207 HydrophobicContact CB-CG2 3.71Å; F201-L210 HydrophobicContact CE2-CD1 3.99Å; F201-L210 HydrophobicContact CZ-CD1 4.41Å
202K84.9Confident86.5Confident98 Ų9848.5 Ų48.543%0.42626%0.258SS..  trans-114-21-178.9-65.5-169.7177.8-175.80113.6D172 A200 E206D172-K202 IonicContact OD1-NZ 3.07Å; D172-K202 PolarHBondContact OD1-NZ 3.39Å; A200-K202 PolarHBondContact O-N 3.05Å; K202-E206 PolarHBondContact N-OE2 2.77Å
203T87.4Confident86.5Confident51 Ų5147.6 Ų47.631%0.31325%0.254SS..SBendtrans-106156-178.164.80000111.8Q205 E206 V207T203-Q205 PolarHBondContact O-N 2.75Å; T203-E206 PolarHBondContact N-OE2 3.01Å; T203-E206 PolarHBondContact O-N 3.12Å; T203-E206 VanDerWaalsContact OG1-CG 3.24Å; T203-E206 WeakPolarHBondContact OG1-CG 3.48Å; T203-E206 PolarHBondContact OG1-N 2.87Å; T203-E206 PolarHBondContact OG1-OE1 3.23Å; T203-E206 PolarHBondContact OG1-OE2 3.31Å; T203-V207 WeakPolarHBondContact O-CG2 3.48Å; T203-V207 PolarHBondContact O-N 2.83Å
204E87.1Confident86.6Confident65 Ų6543.2 Ų43.230%0.30424%0.237SC..Hα-helixtrans-61.4-34179.1-57.491.1163.700112.2V133 V138 D208 Y263V133-E204 HydrophobicContact CG1-CB 4.11Å; V133-E204 HydrophobicContact CG2-CG 4.48Å; V138-E204 HydrophobicContact CG2-CG 3.48Å; V138-E204 VanDerWaalsContact CG2-CG 3.48Å; V138-E204 WeakPolarHBondContact CG2-OE1 3.43Å; E204-D208 VanDerWaalsContact O-CB 3.26Å; E204-D208 WeakPolarHBondContact O-CB 3.48Å; E204-D208 PolarHBondContact O-N 2.92Å; E204-Y263 HydrophobicContact CG-CE1 4.1Å
205Q86.8Confident86.4Confident117 Ų11745.3 Ų45.355%0.54725%0.247SC..Hα-helixtrans-63.8-44.3178.3-71.9166.8-5.300111.9E136 T203 D208 S209E136-Q205 HydrophobicContact CB-CG 3.92Å; E136-Q205 HydrophobicContact CG-CG 4.26Å; T203-Q205 PolarHBondContact O-N 2.75Å; Q205-D208 PolarHBondContact O-N 2.93Å; Q205-S209 WeakPolarHBondContact O-CB 3.46Å; Q205-S209 PolarHBondContact O-N 2.82Å
206E85.9Confident86.3Confident74 Ų7445.4 Ų45.435%0.34625%0.248SC..Hα-helixtrans-64.4-45.5178.5-78.5164.7-167.900111.4F201 K202 T203 S209F201-E206 WeakPolarHBondContact CA-OE2 3.26Å; F201-E206 HydrophobicContact CB-CB 4.04Å; F201-E206 HydrophobicContact CD1-CB 3.72Å; F201-E206 HydrophobicContact CD1-CG 4.38Å; F201-E206 HydrophobicContact CG-CB 4.21Å; K202-E206 PolarHBondContact N-OE2 2.77Å; T203-E206 PolarHBondContact N-OE2 3.01Å; T203-E206 PolarHBondContact O-N 3.12Å; T203-E206 VanDerWaalsContact OG1-CG 3.24Å; T203-E206 WeakPolarHBondContact OG1-CG 3.48Å; T203-E206 PolarHBondContact OG1-N 2.87Å; T203-E206 PolarHBondContact OG1-OE1 3.23Å; T203-E206 PolarHBondContact OG1-OE2 3.31Å; E206-S209 PolarHBondContact O-N 2.58Å; E206-S209 PolarHBondContact O-OG 2.95Å
207V86.3Confident86.4Confident1 Ų143.1 Ų43.11%0.00623%0.229CC..Hα-helixtrans-68.3-40.1179-176.10000111I151 L167 F201 T203 S209 L210 Y263I151-V207 HydrophobicContact CD1-CG1 4.26Å; I151-V207 HydrophobicContact CG2-CG1 3.72Å; L167-V207 HydrophobicContact CD1-CG1 4.27Å; F201-V207 HydrophobicContact CB-CG2 3.71Å; T203-V207 WeakPolarHBondContact O-CG2 3.48Å; T203-V207 PolarHBondContact O-N 2.83Å; V207-S209 PolarHBondContact O-N 3.34Å; V207-L210 WeakPolarHBondContact O-CB 3.29Å; V207-L210 PolarHBondContact O-N 3.32Å; V207-Y263 HydrophobicContact CG1-CG 4.48Å; V207-Y263 HydrophobicContact CG2-CD1 4.34Å; V207-Y263 HydrophobicContact CG2-CD2 3.96Å; V207-Y263 HydrophobicContact CG2-CE2 4.44Å; V207-Y263 HydrophobicContact CG2-CG 3.89Å
208D86.7Confident86.5Confident31 Ų3143.1 Ų43.117%0.16623%0.228CC..Hα-helixtrans-68.5-22.6175.9-16337.9000112K31 V133 E136 E204 Q205 L210K31-D208 VanDerWaalsContact CE-O 3.26Å; K31-D208 WeakPolarHBondContact CE-O 3.46Å; K31-D208 PolarHBondContact NZ-O 2.88Å; V133-D208 HydrophobicContact CG1-CB 4.07Å; E136-D208 PolarHBondContact N-OD2 3.29Å; E204-D208 VanDerWaalsContact O-CB 3.26Å; E204-D208 WeakPolarHBondContact O-CB 3.48Å; E204-D208 PolarHBondContact O-N 2.92Å; Q205-D208 PolarHBondContact O-N 2.93Å; D208-L210 VanDerWaalsContact C-N 3.31Å
209S87.2Confident86.5Confident76 Ų7644.5 Ų44.553%0.53124%0.237SC..Hα-helixtrans-73.8-20.1174.580.60000113.5K31 Q205 E206 V207 H211K31-S209 VanDerWaalsContact NZ-C 3.31Å; K31-S209 PolarHBondContact NZ-O 3.01Å; K31-S209 VanDerWaalsContact NZ-O 3.13Å; Q205-S209 WeakPolarHBondContact O-CB 3.46Å; Q205-S209 PolarHBondContact O-N 2.82Å; E206-S209 PolarHBondContact O-N 2.58Å; E206-S209 PolarHBondContact O-OG 2.95Å; V207-S209 PolarHBondContact O-N 3.34Å; S209-H211 PolarHBondContact O-N 2.94Å
210L86.8Confident86.4Confident10 Ų1043.6 Ų43.65%0.05223%0.232CC..  trans-55.7131.9-178.2-177.959.3000111.3I28 K31 L167 T198 F201 V207 D208 A212 I232I28-L210 HydrophobicContact CD1-CD2 4.08Å; I28-L210 HydrophobicContact CG2-CD2 4.41Å; K31-L210 PolarHBondContact NZ-O 2.8Å; L167-L210 HydrophobicContact CD1-CD2 4.32Å; L167-L210 HydrophobicContact CD2-CD2 4.46Å; T198-L210 HydrophobicContact CG2-CD1 4.32Å; T198-L210 HydrophobicContact CG2-CD2 4.03Å; F201-L210 HydrophobicContact CE2-CD1 3.99Å; F201-L210 HydrophobicContact CZ-CD1 4.41Å; V207-L210 WeakPolarHBondContact O-CB 3.29Å; V207-L210 PolarHBondContact O-N 3.32Å; D208-L210 VanDerWaalsContact C-N 3.31Å; L210-A212 HydrophobicContact CD1-CB 4.22Å; L210-A212 HydrophobicContact CG-CB 4.15Å; L210-I232 HydrophobicContact CD1-CG2 3.98Å
211H87.5Confident85.9Confident49 Ų4943.3 Ų43.323%0.22722%0.223CC..  trans-118.9102.3172.5-162.2-172.8000108.6E32 S209 Y233E32-H211 PolarHBondContact O-CE1 2.78Å; E32-H211 VanDerWaalsContact O-CE1 3.26Å; E32-H211 PolarHBondContact O-NE2 3.05Å; S209-H211 PolarHBondContact O-N 2.94Å; H211-Y233 WeakPolarHBondContact O-CD2 3.35Å; H211-Y233 PolarHBondContact O-N 2.97Å
212A87.4Confident85.3Confident1 Ų144.5 Ų44.51%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-151.5155.2-176.100000112.4I28 L210 I230 N231 I232I28-A212 HydrophobicContact CD1-CB 3.89Å; I28-A212 HydrophobicContact CG1-CB 4.36Å; I28-A212 WeakPolarHBondContact CG1-O 3.2Å; I28-A212 PolarHBondContact N-O 2.84Å; I28-A212 VanDerWaalsContact N-O 3.17Å; L210-A212 HydrophobicContact CD1-CB 4.22Å; L210-A212 HydrophobicContact CG-CB 4.15Å; A212-I230 HydrophobicContact CB-CD1 4.22Å; A212-I230 HydrophobicContact CB-CG1 4.13Å; A212-N231 CarbonylContact C-O 3.55Å; A212-N231 WeakPolarHBondContact CA-O 3.41Å; A212-N231 VanDerWaalsContact CB-O 3.32Å; A212-N231 WeakPolarHBondContact CB-O 3.45Å; A212-I232 HydrophobicContact CB-CB 4.42Å; A212-I232 HydrophobicContact CB-CG1 4.03Å
213T88.9Confident84.7Confident4 Ų441.3 Ų41.33%0.02522%0.219CC..EExtended strand (participates in β ladder)trans-121.1135.6174.849.80000110.2V26 Y27 P33 I230 N231 Y233V26-T213 CarbonylContact O-C 3.56Å; V26-T213 WeakPolarHBondContact O-CA 3.19Å; Y27-T213 HydrophobicContact CD1-CG2 3.47Å; Y27-T213 VanDerWaalsContact CD1-CG2 3.47Å; Y27-T213 HydrophobicContact CE1-CG2 3.5Å; Y27-T213 VanDerWaalsContact CE1-CG2 3.5Å; P33-T213 HydrophobicContact CB-CG2 4.49Å; T213-I230 CarbonylContact O-C 3.58Å; T213-I230 WeakPolarHBondContact O-CA 3.42Å; T213-N231 PolarHBondContact N-O 3Å; T213-N231 PolarHBondContact O-N 2.92Å; T213-Y233 HydrophobicContact CG2-CE2 3.86Å; T213-Y233 WeakPolarHBondContact OG1-CE2 3.4Å; T213-Y233 PolarHBondContact OG1-OH 3.41Å
214I88.8Confident84.1Confident0 Ų044.8 Ų44.80%023%0.227CC..EExtended strand (participates in β ladder)trans-106.8125.2175.3-62.9170.4000108.8T25 V26 I28 I165 R229 I230 L244 V265 V267T25-I214 CarbonylContact C-O 3.57Å; T25-I214 WeakPolarHBondContact CA-O 3.29Å; V26-I214 HydrophobicContact CB-CB 4.3Å; V26-I214 PolarHBondContact N-O 3.22Å; V26-I214 PolarHBondContact O-N 2.84Å; I28-I214 HydrophobicContact CD1-CD1 3.89Å; I28-I214 HydrophobicContact CD1-CG1 4.15Å; I28-I214 HydrophobicContact CG1-CD1 4.15Å; I28-I214 HydrophobicContact CG1-CG1 4.34Å; I165-I214 HydrophobicContact CB-CD1 4.23Å; I165-I214 HydrophobicContact CG1-CD1 4.37Å; I165-I214 HydrophobicContact CG2-CD1 4.27Å; I214-R229 CarbonylContact C-O 3.59Å; I214-R229 WeakPolarHBondContact CA-O 3.41Å; I214-I230 HydrophobicContact CD1-CD1 4.49Å; I214-I230 HydrophobicContact CG1-CB 4.17Å; I214-I230 HydrophobicContact CG1-CD1 4.14Å; I214-I230 HydrophobicContact CG1-CG1 3.94Å; I214-L244 HydrophobicContact CG2-CD1 3.78Å; I214-V265 HydrophobicContact CD1-CG1 3.42Å; I214-V265 VanDerWaalsContact CD1-CG1 3.42Å; I214-V267 HydrophobicContact CD1-CG2 4.41Å
215E86.7Confident83.6Confident45 Ų4546.5 Ų46.521%0.2123%0.234CC..EExtended strand (participates in β ladder)trans-108.5129.3170.4-67.4175.6-151.200109.4R24 T25 G228 R229 N231R24-E215 WeakPolarHBondContact O-CA 3.41Å; T25-E215 HydrophobicContact CG2-CG 3.88Å; E215-G228 CarbonylContact O-C 3.51Å; E215-G228 WeakPolarHBondContact O-CA 3.47Å; E215-R229 HydrophobicContact CB-CG 3.89Å; E215-R229 PolarHBondContact N-O 3.44Å; E215-R229 PolarHBondContact O-N 2.88Å; E215-R229 IonicContact OE1-CZ 3.72Å; E215-R229 IonicContact OE1-NE 3.89Å; E215-R229 IonicContact OE1-NH2 2.85Å; E215-R229 PolarHBondContact OE1-NH2 3.41Å; E215-R229 IonicContact OE2-CZ 3.22Å; E215-R229 IonicContact OE2-NE 2.84Å; E215-R229 PolarHBondContact OE2-NE 3.21Å; E215-R229 IonicContact OE2-NH2 3.74Å; E215-R229 PolarHBondContact OE2-NH2 3.4Å; E215-N231 PolarHBondContact OE1-ND2 2.79Å
216C86.1Confident83.5Confident6 Ų641.4 Ų41.44%0.04121%0.21CC..EExtended strand (participates in β ladder)trans-145.9169.6-179.651.10000111.9S23 R24 F226 V267S23-C216 WeakPolarHBondContact CA-O 3.37Å; R24-C216 VanDerWaalsContact CD-SG 3.51Å; R24-C216 WeakPolarHBondContact CG-SG 3.25Å; R24-C216 PolarHBondContact N-O 2.9Å; R24-C216 PolarHBondContact O-N 3.34Å; C216-F226 HydrophobicContact CB-CE2 3.89Å; C216-F226 HydrophobicContact CB-CZ 3.72Å; C216-V267 VanDerWaalsContact SG-CG1 3.51Å
217E85.1Confident83.3Confident39 Ų3942 Ų4218%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-65.9161.1175.364.4-171.6161.400112.5R24 Q220 F226 V227 Y268R24-E217 WeakPolarHBondContact CD-O 3.3Å; E217-Q220 PolarHBondContact OE1-NE2 3.46Å; E217-Q220 PolarHBondContact OE2-NE2 3.39Å; E217-F226 WeakPolarHBondContact OE1-CA 3.2Å; E217-V227 PolarHBondContact N-O 3.4Å; E217-V227 PolarHBondContact OE1-N 2.91Å; E217-V227 VanDerWaalsContact OE1-N 3.17Å; E217-Y268 PolarHBondContact O-OH 3.42Å
218Q86.4Confident83.3Confident53 Ų5342.5 Ų42.525%0.24822%0.224CC..PPolyproline II helixtrans-62.5148.7167.6-69.7-63.3-11.100110.8V21 Q220V21-Q218 PolarHBondContact O-NE2 3.42Å; Q218-Q220 PolarHBondContact O-N 2.85Å
219P86.4Confident83.1Confident30 Ų3046.4 Ų46.420%0.19524%0.236CC..PPolyproline II helixtrans-63.5127-171.426.3-34.1000111.5Y268 E272 L277P219-Y268 HydrophobicContact CB-CD1 3.83Å; P219-Y268 HydrophobicContact CB-CE1 3.73Å; P219-Y268 HydrophobicContact CB-CG 4.32Å; P219-Y268 HydrophobicContact CG-CD1 4.38Å; P219-Y268 HydrophobicContact CG-CE1 4.3Å; P219-E272 HydrophobicContact CB-CB 4.29Å; P219-E272 VanDerWaalsContact CB-O 3.25Å; P219-E272 WeakPolarHBondContact CB-O 3.23Å; P219-E272 HydrophobicContact CG-CB 3.97Å; P219-E272 HydrophobicContact CG-CG 3.84Å; P219-L277 HydrophobicContact CB-CD1 3.96Å
220Q82.1Confident83.1Confident40 Ų4042.8 Ų42.819%0.18721%0.211CC..  trans-117.6151178.566.9-177.2-2800111.2E217 Q218 D222 K225 K274E217-Q220 PolarHBondContact OE1-NE2 3.46Å; E217-Q220 PolarHBondContact OE2-NE2 3.39Å; Q218-Q220 PolarHBondContact O-N 2.85Å; Q220-D222 HydrophobicContact CG-CB 4.44Å; Q220-D222 PolarHBondContact O-N 3.45Å; Q220-K225 PolarHBondContact NE2-O 2.98Å; Q220-K274 WeakPolarHBondContact O-CG 3.39Å
221P73.4Confident83.1Confident72 Ų7243.1 Ų43.147%0.46821%0.213SC..SBendtrans-72-13.4-177.828.8-35.2000114L223 L277 N278P221-L223 PolarHBondContact O-N 3.24Å; P221-L277 HydrophobicContact CB-CB 4.25Å; P221-N278 PolarHBondContact O-ND2 3.12Å
222D72.4Confident83.1Confident73 Ų7341.3 Ų41.339%0.3921%0.205SC..  trans-69114.5178.8-171.2-12.9000111.3Q220 Y224 K225 K274Q220-D222 HydrophobicContact CG-CB 4.44Å; Q220-D222 PolarHBondContact O-N 3.45Å; D222-Y224 VanDerWaalsContact C-N 3.32Å; D222-Y224 PolarHBondContact O-N 3.38Å; D222-Y224 PolarHBondContact OD1-N 3.47Å; D222-K225 HydrophobicContact CB-CB 4.23Å; D222-K274 WeakPolarHBondContact O-CD 3.4Å; D222-K274 WeakPolarHBondContact O-CE 3.43Å; D222-K274 PolarHBondContact O-NZ 3.12Å
223L73.5Confident82.9Confident30 Ų3043.4 Ų43.416%0.15721%0.213CC..SBendtrans-64.9-33.9-177.5-63.9170.8000112.3P221 L251 K274P221-L223 PolarHBondContact O-N 3.24Å; L223-L251 HydrophobicContact CB-CD1 4.28Å; L223-L251 HydrophobicContact CD2-CD1 4.1Å; L223-K274 HydrophobicContact CD2-CB 3.97Å; L223-K274 PolarHBondContact O-NZ 3Å
224Y75.6Confident82.3Confident124 Ų12448.3 Ų48.349%0.48623%0.234SC..SBendtrans-96.1-9.9-169-57.3-73.4000114.3D184 D222 A246D184-Y224 WeakPolarHBondContact CB-OH 3.42Å; D184-Y224 PolarHBondContact OD2-OH 3.08Å; D184-Y224 VanDerWaalsContact OD2-OH 3.09Å; D222-Y224 VanDerWaalsContact C-N 3.32Å; D222-Y224 PolarHBondContact O-N 3.38Å; D222-Y224 PolarHBondContact OD1-N 3.47Å; Y224-A246 WeakPolarHBondContact O-CB 3.5Å
225K76.6Confident81.1Confident102 Ų10256.1 Ų56.144%0.44328%0.276SS..  trans-104.8120179.7-173.3-177.2171.3-162.70111.2Q220 D222 K274Q220-K225 PolarHBondContact NE2-O 2.98Å; D222-K225 HydrophobicContact CB-CB 4.23Å; K225-K274 PolarHBondContact O-NZ 3.11Å
226F84.5Confident79.6Confident9 Ų964.3 Ų64.34%0.03931%0.31CS..  trans-141.7131.8170.5178.6-102.2000109.5I165 C216 E217 L244 G245 A246 L249 Y268I165-F226 HydrophobicContact CD1-CD1 4.39Å; I165-F226 HydrophobicContact CD1-CE1 3.55Å; I165-F226 HydrophobicContact CD1-CZ 3.72Å; C216-F226 HydrophobicContact CB-CE2 3.89Å; C216-F226 HydrophobicContact CB-CZ 3.72Å; E217-F226 WeakPolarHBondContact OE1-CA 3.2Å; F226-L244 HydrophobicContact CD1-CB 4.47Å; F226-L244 HydrophobicContact CE1-CB 3.84Å; F226-L244 HydrophobicContact CE1-CD1 4.46Å; F226-G245 WeakPolarHBondContact CD1-O 3.46Å; F226-A246 HydrophobicContact CB-CB 4.48Å; F226-L249 HydrophobicContact CB-CB 4.43Å; F226-L249 HydrophobicContact CB-CD2 3.91Å; F226-L249 HydrophobicContact CD1-CB 4.27Å; F226-L249 HydrophobicContact CD2-CD1 4.29Å; F226-L249 HydrophobicContact CD2-CD2 3.78Å; F226-L249 HydrophobicContact CD2-CG 4.49Å; F226-L249 HydrophobicContact CE2-CD1 4.22Å; F226-L249 HydrophobicContact CE2-CD2 4.49Å; F226-L249 HydrophobicContact CG-CB 4.22Å; F226-L249 HydrophobicContact CG-CD2 3.88Å; F226-L249 HydrophobicContact CG-CG 4.46Å; F226-L249 HydrophobicContact CZ-CD1 4.47Å; F226-Y268 HydrophobicContact CD2-CE2 4.31Å; F226-Y268 HydrophobicContact CE2-CE2 4.02Å
227V81.8Confident78.4Confident86 Ų8670.3 Ų70.352%0.52134%0.338SS..  trans-126.7122.3176.2-175.80000109.2E217E217-V227 PolarHBondContact N-O 3.4Å; E217-V227 PolarHBondContact OE1-N 2.91Å; E217-V227 VanDerWaalsContact OE1-N 3.17Å
228G85.8Confident77.6Confident12 Ų1276.8 Ų76.812%0.12437%0.368CS..EExtended strand (participates in β ladder)trans-157.2178.5173.500000113.2E215 L244E215-G228 CarbonylContact O-C 3.51Å; E215-G228 WeakPolarHBondContact O-CA 3.47Å; G228-L244 PolarHBondContact N-O 3.4Å; G228-L244 VanDerWaalsContact N-O 3.16Å; G228-L244 PolarHBondContact O-N 3.32Å
229R82.7Confident76.8Confident114 Ų11477.6 Ų77.643%0.4338%0.378SS..EExtended strand (participates in β ladder)trans-140.9147.1170.862.8179.4-179.3174.44.3110.4I214 E215 R242I214-R229 CarbonylContact C-O 3.59Å; I214-R229 WeakPolarHBondContact CA-O 3.41Å; E215-R229 HydrophobicContact CB-CG 3.89Å; E215-R229 PolarHBondContact N-O 3.44Å; E215-R229 PolarHBondContact O-N 2.88Å; E215-R229 IonicContact OE1-CZ 3.72Å; E215-R229 IonicContact OE1-NE 3.89Å; E215-R229 IonicContact OE1-NH2 2.85Å; E215-R229 PolarHBondContact OE1-NH2 3.41Å; E215-R229 IonicContact OE2-CZ 3.22Å; E215-R229 IonicContact OE2-NE 2.84Å; E215-R229 PolarHBondContact OE2-NE 3.21Å; E215-R229 IonicContact OE2-NH2 3.74Å; E215-R229 PolarHBondContact OE2-NH2 3.4Å; R229-R242 CarbonylContact C-O 3.59Å; R229-R242 WeakPolarHBondContact CA-O 3.22Å
230I87.3Confident76.5Confident0 Ų077.8 Ų77.80%038%0.379CS..EExtended strand (participates in β ladder)trans-112129.2170.8-174.7171000108.8I28 L167 V195 A212 T213 I214 I232 S241 R242 L244I28-I230 HydrophobicContact CD1-CD1 3.91Å; L167-I230 HydrophobicContact CD2-CD1 4.39Å; V195-I230 HydrophobicContact CG1-CG2 4Å; V195-I230 HydrophobicContact CG2-CG2 4.38Å; A212-I230 HydrophobicContact CB-CD1 4.22Å; A212-I230 HydrophobicContact CB-CG1 4.13Å; T213-I230 CarbonylContact O-C 3.58Å; T213-I230 WeakPolarHBondContact O-CA 3.42Å; I214-I230 HydrophobicContact CD1-CD1 4.49Å; I214-I230 HydrophobicContact CG1-CB 4.17Å; I214-I230 HydrophobicContact CG1-CD1 4.14Å; I214-I230 HydrophobicContact CG1-CG1 3.94Å; I230-I232 HydrophobicContact CD1-CG1 4.27Å; I230-I232 HydrophobicContact CG1-CG1 4.1Å; I230-S241 CarbonylContact O-C 3.56Å; I230-S241 WeakPolarHBondContact O-CA 3.46Å; I230-R242 HydrophobicContact CG2-CB 3.77Å; I230-R242 PolarHBondContact N-O 2.87Å; I230-R242 PolarHBondContact O-N 3.44Å; I230-L244 HydrophobicContact CB-CD1 4.16Å; I230-L244 HydrophobicContact CB-CD2 4.44Å; I230-L244 HydrophobicContact CB-CG 4.38Å; I230-L244 HydrophobicContact CG2-CD2 4.01Å; I230-L244 HydrophobicContact CG2-CG 4.27Å
231N86.3Confident76.3Confident16 Ų1678.7 Ų78.79%0.08639%0.389CS..EExtended strand (participates in β ladder)trans-108.4113.6174.7-55.2-33.9000107.8A212 T213 E215 S241A212-N231 CarbonylContact C-O 3.55Å; A212-N231 WeakPolarHBondContact CA-O 3.41Å; A212-N231 VanDerWaalsContact CB-O 3.32Å; A212-N231 WeakPolarHBondContact CB-O 3.45Å; T213-N231 PolarHBondContact N-O 3Å; T213-N231 PolarHBondContact O-N 2.92Å; E215-N231 PolarHBondContact OE1-ND2 2.79Å; N231-S241 WeakPolarHBondContact OD1-CB 3.29Å; N231-S241 PolarHBondContact OD1-OG 2.84Å
232I86.3Confident76.7Confident11 Ų1180 Ų806%0.05639%0.385CS..EExtended strand (participates in β ladder)trans-99.9126.7-179.2-57172000108.5D197 T198 L210 A212 I230 P239 V240D197-I232 HydrophobicContact CB-CD1 3.73Å; T198-I232 HydrophobicContact CG2-CD1 4.01Å; L210-I232 HydrophobicContact CD1-CG2 3.98Å; A212-I232 HydrophobicContact CB-CB 4.42Å; A212-I232 HydrophobicContact CB-CG1 4.03Å; I230-I232 HydrophobicContact CD1-CG1 4.27Å; I230-I232 HydrophobicContact CG1-CG1 4.1Å; I232-P239 WeakPolarHBondContact O-CA 3.41Å; I232-V240 PolarHBondContact N-O 3.31Å; I232-V240 PolarHBondContact O-N 3.49Å
233Y84Confident77.1Confident46 Ų4682.7 Ų82.718%0.1840%0.404CS..  trans-98.7121.6179.4-53.9-81.7000109.3P34 H211 T213 P239P34-Y233 HydrophobicContact CG-CD1 4.1Å; P34-Y233 HydrophobicContact CG-CG 4.1Å; H211-Y233 WeakPolarHBondContact O-CD2 3.35Å; H211-Y233 PolarHBondContact O-N 2.97Å; T213-Y233 HydrophobicContact CG2-CE2 3.86Å; T213-Y233 WeakPolarHBondContact OG1-CE2 3.4Å; T213-Y233 PolarHBondContact OG1-OH 3.41Å; Y233-P239 HydrophobicContact CD1-CB 3.84Å; Y233-P239 HydrophobicContact CE1-CB 3.74Å; Y233-P239 HydrophobicContact CE1-CG 4.36Å
234K77Confident77.7Confident107 Ų10781.7 Ų81.747%0.46540%0.399SS..  trans-107.4144.9170.4-68-178.7-178.3175.30108.8K236 E237K234-K236 PolarHBondContact O-N 2.53Å; K234-E237 PolarHBondContact O-N 3.05Å
235D62.4Low78Confident164 Ų16476.8 Ų76.888%0.87739%0.386SS*.THydrogen-bonded Turntrans-58.8105.2178.3-78.8-34.5000110.3
236K56.8Low78.2Confident217 Ų21773.7 Ų73.794%0.94338%0.38SS*.THydrogen-bonded Turntrans90.112.7174.5-50.9172.9-179.4175.70118.4K234K234-K236 PolarHBondContact O-N 2.53Å
237E60.9Low78.3Confident132 Ų13278 Ų7862%0.61740%0.399SS*.SBendtrans-118160.7174-68.7-176.9165.100112.5K234K234-E237 PolarHBondContact O-N 3.05Å
238E66.6Low78.7Confident174 Ų17474.3 Ų74.381%0.81338%0.377SS*.  trans-59.8144.8168.4-75.7-169.8169.800110.4V240E238-V240 PolarHBondContact O-N 3.18Å
239P70.6Confident79.1Confident71 Ų7173.9 Ų73.946%0.46137%0.372SS..  trans-60.8126.5-178.524-32.8000111.3I232 Y233 S241I232-P239 WeakPolarHBondContact O-CA 3.41Å; Y233-P239 HydrophobicContact CD1-CB 3.84Å; Y233-P239 HydrophobicContact CE1-CB 3.74Å; Y233-P239 HydrophobicContact CE1-CG 4.36Å; P239-S241 PolarHBondContact O-N 2.81Å
240V80Confident79.7Confident34 Ų3468.5 Ų68.521%0.20635%0.352CS..EExtended strand (participates in β ladder)trans-80.1110.2176.3-179.20000108.2I232 E238I232-V240 PolarHBondContact N-O 3.31Å; I232-V240 PolarHBondContact O-N 3.49Å; E238-V240 PolarHBondContact O-N 3.18Å
241S78.2Confident79.9Confident58 Ų5869 Ų6941%0.40636%0.355SS..EExtended strand (participates in β ladder)trans-91.9129176-161.50000111.1I230 N231 P239I230-S241 CarbonylContact O-C 3.56Å; I230-S241 WeakPolarHBondContact O-CA 3.46Å; N231-S241 WeakPolarHBondContact OD1-CB 3.29Å; N231-S241 PolarHBondContact OD1-OG 2.84Å; P239-S241 PolarHBondContact O-N 2.81Å
242R82.2Confident80Confident101 Ų10169.1 Ų69.138%0.38135%0.354SS..EExtended strand (participates in β ladder)trans-122.7142172.6-62-62.9-174.7-136.8-3.7110.4D197 R229 I230D197-R242 IonicContact OD1-NH2 3.36Å; D197-R242 PolarHBondContact OD1-NH2 2.89Å; D197-R242 WeakPolarHBondContact OD2-CG 3.31Å; D197-R242 IonicContact OD2-CZ 3.62Å; D197-R242 IonicContact OD2-NE 2.78Å; D197-R242 PolarHBondContact OD2-NE 3.24Å; D197-R242 IonicContact OD2-NH2 3.52Å; D197-R242 PolarHBondContact OD2-NH2 3.42Å; R229-R242 CarbonylContact C-O 3.59Å; R229-R242 WeakPolarHBondContact CA-O 3.22Å; I230-R242 HydrophobicContact CG2-CB 3.77Å; I230-R242 PolarHBondContact N-O 2.87Å; I230-R242 PolarHBondContact O-N 3.44Å
243T80.4Confident79.8Confident129 Ų12969 Ų6979%0.79136%0.355SS*.EExtended strand (participates in β ladder)trans-74.5141.117451.40000110.4
244L85.1Confident80Confident8 Ų866.9 Ų66.94%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-113.1135.1171.9-60172.3000109.2I165 V195 I214 F226 G228 I230 N248I165-L244 HydrophobicContact CD1-CD1 4.3Å; I165-L244 HydrophobicContact CG1-CD1 4.48Å; I165-L244 HydrophobicContact CG2-CD1 4.24Å; I165-L244 HydrophobicContact CG2-CD2 4.18Å; V195-L244 HydrophobicContact CG2-CD2 3.7Å; I214-L244 HydrophobicContact CG2-CD1 3.78Å; F226-L244 HydrophobicContact CD1-CB 4.47Å; F226-L244 HydrophobicContact CE1-CB 3.84Å; F226-L244 HydrophobicContact CE1-CD1 4.46Å; G228-L244 PolarHBondContact N-O 3.4Å; G228-L244 VanDerWaalsContact N-O 3.16Å; G228-L244 PolarHBondContact O-N 3.32Å; I230-L244 HydrophobicContact CB-CD1 4.16Å; I230-L244 HydrophobicContact CB-CD2 4.44Å; I230-L244 HydrophobicContact CB-CG 4.38Å; I230-L244 HydrophobicContact CG2-CD2 4.01Å; I230-L244 HydrophobicContact CG2-CG 4.27Å; L244-N248 HydrophobicContact CD2-CB 4.23Å
245G81.6Confident80.5Confident21 Ų2162.8 Ų62.822%0.21633%0.331CS..  trans-121.8-173.4175.700000112.5F226 E247 N248F226-G245 WeakPolarHBondContact CD1-O 3.46Å; G245-E247 PolarHBondContact O-N 2.88Å; G245-N248 PolarHBondContact N-OD1 3.29Å; G245-N248 PolarHBondContact O-N 2.9Å; G245-N248 VanDerWaalsContact O-N 3.13Å
246A82.4Confident81.8Confident38 Ų3855 Ų5531%0.31429%0.289SS..G310 helixtrans-61.6-26.9177.200000113.1Y192 Y224 F226 N248 L249Y192-A246 WeakPolarHBondContact CE1-O 3.18Å; Y224-A246 WeakPolarHBondContact O-CB 3.5Å; F226-A246 HydrophobicContact CB-CB 4.48Å; A246-N248 PolarHBondContact O-N 3.01Å; A246-L249 PolarHBondContact O-N 3.42Å
247E85.1Confident83.2Confident98 Ų9847.3 Ų47.346%0.45826%0.256SS..G310 helixtrans-68.1-11.6176.364.8-175.6-177.100114.6Y192 Y193 G245Y192-E247 WeakPolarHBondContact CA-O 3.38Å; Y192-E247 VanDerWaalsContact CD1-O 3.25Å; Y192-E247 WeakPolarHBondContact CD1-O 3.36Å; Y193-E247 HydrophobicContact CD2-CB 4.3Å; Y193-E247 PolarHBondContact N-O 2.98Å; G245-E247 PolarHBondContact O-N 2.88Å
248N90.9Very high84.2Confident9 Ų942.6 Ų42.65%0.04824%0.235CC..G310 helixtrans-105.3-11.3176.3-46.3113.5000112.8I165 F166 Y193 L244 G245 A246I165-N248 WeakPolarHBondContact CA-O 3.25Å; F166-N248 PolarHBondContact N-O 3.25Å; Y193-N248 PolarHBondContact O-ND2 3.37Å; L244-N248 HydrophobicContact CD2-CB 4.23Å; G245-N248 PolarHBondContact N-OD1 3.29Å; G245-N248 PolarHBondContact O-N 2.9Å; G245-N248 VanDerWaalsContact O-N 3.13Å; A246-N248 PolarHBondContact O-N 3.01Å
249L93.8Very high85.2Confident4 Ų434.4 Ų34.42%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-95.7115.4-174.4-176.574.6000111.4D163 L164 I165 Y192 F226 A246 L251 K274D163-L249 HydrophobicContact CB-CD1 4.26Å; L164-L249 CarbonylContact O-C 3.51Å; I165-L249 HydrophobicContact CD1-CB 4.25Å; I165-L249 HydrophobicContact CD1-CD1 3.8Å; I165-L249 HydrophobicContact CG1-CD1 4.5Å; Y192-L249 WeakPolarHBondContact CE1-O 3.49Å; F226-L249 HydrophobicContact CB-CB 4.43Å; F226-L249 HydrophobicContact CB-CD2 3.91Å; F226-L249 HydrophobicContact CD1-CB 4.27Å; F226-L249 HydrophobicContact CD2-CD1 4.29Å; F226-L249 HydrophobicContact CD2-CD2 3.78Å; F226-L249 HydrophobicContact CD2-CG 4.49Å; F226-L249 HydrophobicContact CE2-CD1 4.22Å; F226-L249 HydrophobicContact CE2-CD2 4.49Å; F226-L249 HydrophobicContact CG-CB 4.22Å; F226-L249 HydrophobicContact CG-CD2 3.88Å; F226-L249 HydrophobicContact CG-CG 4.46Å; F226-L249 HydrophobicContact CZ-CD1 4.47Å; A246-L249 PolarHBondContact O-N 3.42Å; L249-L251 HydrophobicContact CD2-CD2 3.62Å; L249-L251 HydrophobicContact CG-CD2 4.03Å; L249-K274 HydrophobicContact CD2-CD 4.31Å
250L95Very high86.1Confident0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-93.2119.1174.8-54.4179000109.6F160 D163 L164 F166 V178 Y192 I262 A264F160-L250 HydrophobicContact CD2-CB 4.02Å; F160-L250 HydrophobicContact CE1-CD1 3.99Å; F160-L250 HydrophobicContact CE2-CB 3.91Å; F160-L250 HydrophobicContact CE2-CD1 4.4Å; F160-L250 HydrophobicContact CE2-CD2 4.26Å; F160-L250 HydrophobicContact CE2-CG 4.43Å; F160-L250 HydrophobicContact CG-CB 4.38Å; F160-L250 HydrophobicContact CZ-CB 4.19Å; F160-L250 HydrophobicContact CZ-CD1 3.86Å; F160-L250 HydrophobicContact CZ-CD2 4.28Å; F160-L250 HydrophobicContact CZ-CG 4.35Å; D163-L250 CarbonylContact C-O 3.38Å; D163-L250 VanDerWaalsContact CA-O 3.29Å; D163-L250 WeakPolarHBondContact CA-O 3.4Å; L164-L250 HydrophobicContact CB-CB 4.22Å; L164-L250 PolarHBondContact N-O 2.93Å; L164-L250 PolarHBondContact O-N 3.18Å; F166-L250 HydrophobicContact CB-CD1 3.96Å; F166-L250 HydrophobicContact CB-CG 4.12Å; F166-L250 HydrophobicContact CD2-CD1 4.47Å; F166-L250 HydrophobicContact CG-CD1 4.35Å; V178-L250 HydrophobicContact CG2-CD2 3.94Å; Y192-L250 HydrophobicContact CD1-CD2 3.76Å; Y192-L250 HydrophobicContact CD2-CD2 4.25Å; Y192-L250 HydrophobicContact CE1-CD2 4.34Å; Y192-L250 HydrophobicContact CG-CD2 3.72Å; L250-I262 HydrophobicContact CD1-CD1 3.29Å; L250-A264 HydrophobicContact CD1-CB 4.22Å
251L92.1Very high86.7Confident12 Ų1238.4 Ų38.46%0.06321%0.207CC..PPolyproline II helixtrans-87.4141-171.7-60.2174.4000112F160 L183 L223 L249 G253 A254 K274F160-L251 WeakPolarHBondContact CD2-O 3.37Å; L183-L251 HydrophobicContact CD1-CB 3.31Å; L183-L251 HydrophobicContact CD1-CD1 3.96Å; L183-L251 HydrophobicContact CD1-CG 4.29Å; L223-L251 HydrophobicContact CB-CD1 4.28Å; L223-L251 HydrophobicContact CD2-CD1 4.1Å; L249-L251 HydrophobicContact CD2-CD2 3.62Å; L249-L251 HydrophobicContact CG-CD2 4.03Å; L251-G253 PolarHBondContact O-N 3.19Å; L251-A254 WeakPolarHBondContact O-CB 3.4Å; L251-A254 PolarHBondContact O-N 3.22Å; L251-A254 VanDerWaalsContact O-N 3.14Å; L251-K274 HydrophobicContact CD2-CB 4.4Å; L251-K274 HydrophobicContact CD2-CD 3.83Å; L251-K274 HydrophobicContact CD2-CG 4.35Å
252R89Confident87.5Confident18 Ų1835.7 Ų35.77%0.06819%0.188CC..THydrogen-bonded Turntrans-50.7132172-179.7179.7-175129.516.3110.5N48 I50 F160 P161 C162 D163 L183 A254 T273 M275N48-R252 PolarHBondContact OD1-NH1 3.02Å; I50-R252 VanDerWaalsContact CD1-NH1 3.28Å; I50-R252 VanDerWaalsContact CG1-NH1 3.31Å; F160-R252 WeakPolarHBondContact O-CA 3.34Å; P161-R252 PolarHBondContact O-NE 2.79Å; P161-R252 PolarHBondContact O-NH1 2.96Å; C162-R252 PolarHBondContact O-N 3.27Å; D163-R252 WeakPolarHBondContact OD1-CB 3.5Å; D163-R252 PolarHBondContact OD1-N 3.03Å; L183-R252 VanDerWaalsContact CD1-O 3.29Å; L183-R252 WeakPolarHBondContact CD1-O 3.47Å; L183-R252 WeakPolarHBondContact CD2-O 3.37Å; R252-A254 VanDerWaalsContact C-N 3.3Å; R252-T273 HydrophobicContact CB-CG2 4.23Å; R252-T273 WeakPolarHBondContact CD-OG1 3.31Å; R252-M275 HydrophobicContact CB-CB 4.47Å; R252-M275 HydrophobicContact CG-SD 4.15Å
253G81.6Confident88.1Confident8 Ų831.1 Ų31.18%0.08217%0.171CC..THydrogen-bonded Turntrans87.9-12176.100000114.6T159 F160 S182 L251T159-G253 VanDerWaalsContact CG2-CA 3.43Å; F160-G253 PolarHBondContact O-N 2.7Å; S182-G253 WeakPolarHBondContact CB-O 3.37Å; S182-G253 PolarHBondContact OG-O 3.31Å; L251-G253 PolarHBondContact O-N 3.19Å
254A87.8Confident88.8Confident1 Ų125 Ų251%0.00813%0.133CC..  trans-73.6156163.800000110.4T159 F160 V178 T179 T180 L183 L251 R252T159-A254 WeakPolarHBondContact CA-O 3.32Å; F160-A254 HydrophobicContact CD2-CB 3.92Å; F160-A254 VanDerWaalsContact CD2-O 3.26Å; F160-A254 WeakPolarHBondContact CD2-O 3.43Å; F160-A254 HydrophobicContact CE2-CB 4.26Å; F160-A254 PolarHBondContact N-O 2.73Å; V178-A254 HydrophobicContact CG1-CB 3.57Å; T179-A254 WeakPolarHBondContact O-CA 3.49Å; T179-A254 WeakPolarHBondContact O-CB 3.45Å; T180-A254 HydrophobicContact CG2-CB 3.98Å; L183-A254 HydrophobicContact CD1-CB 3.99Å; L251-A254 WeakPolarHBondContact O-CB 3.4Å; L251-A254 PolarHBondContact O-N 3.22Å; L251-A254 VanDerWaalsContact O-N 3.14Å; R252-A254 VanDerWaalsContact C-N 3.3Å
255T87.6Confident89.3Confident22 Ų2224.6 Ų24.614%0.13513%0.131CC..EExtended strand (participates in β ladder)trans-116.9137.2-173.747.40000111.2E158 T159 V178 T179E158-T255 WeakPolarHBondContact O-CA 3.39Å; T159-T255 HydrophobicContact CG2-CG2 4.29Å; T159-T255 WeakPolarHBondContact OG1-CG2 3.38Å; V178-T255 WeakPolarHBondContact CA-O 3.4Å; T179-T255 PolarHBondContact N-O 3.28Å; T179-T255 PolarHBondContact O-N 2.89Å; T179-T255 PolarHBondContact O-OG1 2.97Å; T179-T255 PolarHBondContact OG1-O 3.44Å; T179-T255 PolarHBondContact OG1-OG1 2.85Å
256L91Very high89.9Confident0 Ų023.6 Ų23.60%012%0.121CC..EExtended strand (participates in β ladder)trans-74137.2175-172.468.1000110V154 R155 D157 E158 F160 C176 I262V154-L256 HydrophobicContact CG1-CB 4.36Å; V154-L256 HydrophobicContact CG1-CD2 4.42Å; V154-L256 WeakPolarHBondContact O-CD2 3.43Å; R155-L256 WeakPolarHBondContact O-CD2 3.49Å; D157-L256 VanDerWaalsContact CA-O 3.29Å; D157-L256 WeakPolarHBondContact CA-O 3.47Å; D157-L256 PolarHBondContact N-O 3.47Å; E158-L256 PolarHBondContact O-N 2.91Å; F160-L256 HydrophobicContact CE1-CB 4.34Å; F160-L256 HydrophobicContact CZ-CB 4.13Å; F160-L256 HydrophobicContact CZ-CD1 4.23Å; C176-L256 HydrophobicContact CB-CD1 3.95Å; L256-I262 HydrophobicContact CD1-CD1 4.19Å; L256-I262 HydrophobicContact CD1-CG1 4.49Å; L256-I262 HydrophobicContact CD1-CG2 4.04Å; L256-I262 HydrophobicContact CD2-CG1 4.1Å; L256-I262 HydrophobicContact CD2-CG2 4.13Å
257K86.1Confident90.5Very high56 Ų5621.8 Ų21.824%0.24311%0.106CC..EExtended strand (participates in β ladder)trans-135.9152.2179.4-66-66.7178.8-179.20111D157 Y177 T179 T259D157-K257 VanDerWaalsContact OD1-CD 3.26Å; D157-K257 WeakPolarHBondContact OD1-CD 3.24Å; D157-K257 WeakPolarHBondContact OD1-CE 3.36Å; D157-K257 IonicContact OD1-NZ 2.58Å; D157-K257 PolarHBondContact OD1-NZ 3.1Å; Y177-K257 WeakPolarHBondContact CB-O 3.37Å; Y177-K257 PolarHBondContact O-N 3.28Å; Y177-K257 VanDerWaalsContact O-O 3.04Å; T179-K257 HydrophobicContact CG2-CG 4.35Å; T179-K257 WeakPolarHBondContact OG1-CE 3.35Å; T179-K257 WeakPolarHBondContact OG1-CG 3.34Å; K257-T259 PolarHBondContact O-N 2.98Å; K257-T259 PolarHBondContact O-OG1 3.09Å
258N81.4Confident90.9Very high33 Ų3317.1 Ų17.118%0.1768%0.084CC..SBendtrans51.227170.1-56.3-21.6000113.9E156 Y177E156-N258 VanDerWaalsContact OE1-CA 3.25Å; E156-N258 WeakPolarHBondContact OE1-CA 3.42Å; E156-N258 PolarHBondContact OE1-N 3.46Å; Y177-N258 HydrophobicContact CD2-CB 4.09Å
259T86.9Confident91Very high2 Ų216.7 Ų16.71%0.0128%0.082CC..  trans-147.2117.7-176.6-47.50000106.9E156 S169 R171 C176 Y177 K257 H261 I262E156-T259 WeakPolarHBondContact CA-O 3.36Å; E156-T259 VanDerWaalsContact CB-O 3.29Å; E156-T259 WeakPolarHBondContact CB-O 3.33Å; S169-T259 VanDerWaalsContact OG-CG2 3.27Å; S169-T259 WeakPolarHBondContact OG-CG2 3.2Å; R171-T259 HydrophobicContact CG-CG2 4.41Å; C176-T259 HydrophobicContact CB-CG2 4Å; Y177-T259 PolarHBondContact N-OG1 2.92Å; K257-T259 PolarHBondContact O-N 2.98Å; K257-T259 PolarHBondContact O-OG1 3.09Å; T259-H261 PolarHBondContact O-N 3.46Å; T259-I262 HydrophobicContact CG2-CG2 3.79Å
260Q89.3Confident90.8Very high141 Ų14116.5 Ų16.566%0.6598%0.081SC*.SBendtrans-60.7-47.4-171-71.1-176.3-12.400112.4R155 E156R155-Q260 WeakPolarHBondContact CA-O 3.4Å; E156-Q260 PolarHBondContact N-O 2.94Å
261H92.8Very high90.4Very high48 Ų4820.7 Ų20.722%0.22210%0.101CC..EExtended strand (participates in β ladder)trans-156.2158173.563.3-81.5000111.7M153 V154 S170 T259 Y263M153-H261 HydrophobicContact CG-CB 4.46Å; V154-H261 CarbonylContact O-C 3.47Å; V154-H261 WeakPolarHBondContact O-CA 3.45Å; S170-H261 VanDerWaalsContact CB-CE1 3.46Å; S170-H261 WeakPolarHBondContact CB-CE1 3.19Å; S170-H261 PolarHBondContact N-O 2.72Å; T259-H261 PolarHBondContact O-N 3.46Å; H261-Y263 AromaticContact CD2-CE2 3.83Å
262I95.4Very high90.3Very high0 Ų022.3 Ų22.30%011%0.109CC..EExtended strand (participates in β ladder)trans-133.9157.1171.865.3166.9000111M153 V154 F160 F166 S168 C176 L250 L256 T259M153-I262 WeakPolarHBondContact CA-O 3.27Å; V154-I262 HydrophobicContact CB-CD1 4.45Å; V154-I262 HydrophobicContact CB-CG1 3.93Å; V154-I262 PolarHBondContact N-O 3.02Å; V154-I262 PolarHBondContact O-N 2.92Å; F160-I262 HydrophobicContact CE1-CD1 3.74Å; F160-I262 HydrophobicContact CZ-CD1 4.08Å; F166-I262 HydrophobicContact CD2-CB 4.26Å; F166-I262 HydrophobicContact CD2-CD1 4.29Å; F166-I262 HydrophobicContact CD2-CG2 4.48Å; F166-I262 HydrophobicContact CE2-CB 3.86Å; F166-I262 HydrophobicContact CE2-CG2 3.72Å; F166-I262 HydrophobicContact CZ-CG2 4.36Å; S168-I262 WeakPolarHBondContact O-CA 3.43Å; C176-I262 HydrophobicContact CB-CG2 3.8Å; L250-I262 HydrophobicContact CD1-CD1 3.29Å; L256-I262 HydrophobicContact CD1-CD1 4.19Å; L256-I262 HydrophobicContact CD1-CG1 4.49Å; L256-I262 HydrophobicContact CD1-CG2 4.04Å; L256-I262 HydrophobicContact CD2-CG1 4.1Å; L256-I262 HydrophobicContact CD2-CG2 4.13Å; T259-I262 HydrophobicContact CG2-CG2 3.79Å
263Y95.1Very high90.3Very high6 Ų621.5 Ų21.52%0.02411%0.105CC..EExtended strand (participates in β ladder)trans-109.9131.3166.1-61-80.4000109.8V133 M153 L167 S168 E204 V207 H261V133-Y263 HydrophobicContact CG2-CD1 4Å; V133-Y263 HydrophobicContact CG2-CE1 3.94Å; M153-Y263 HydrophobicContact CB-CD1 4.16Å; M153-Y263 HydrophobicContact CB-CE1 4.07Å; M153-Y263 HydrophobicContact CG-CD1 4.23Å; M153-Y263 HydrophobicContact CG-CE1 3.89Å; M153-Y263 HydrophobicContact SD-CE1 4.16Å; L167-Y263 WeakPolarHBondContact CB-O 3.44Å; L167-Y263 PolarHBondContact N-O 2.71Å; S168-Y263 PolarHBondContact N-O 3.35Å; S168-Y263 PolarHBondContact O-N 2.85Å; S168-Y263 WeakPolarHBondContact OG-CD2 3.38Å; E204-Y263 HydrophobicContact CG-CE1 4.1Å; V207-Y263 HydrophobicContact CG1-CG 4.48Å; V207-Y263 HydrophobicContact CG2-CD1 4.34Å; V207-Y263 HydrophobicContact CG2-CD2 3.96Å; V207-Y263 HydrophobicContact CG2-CE2 4.44Å; V207-Y263 HydrophobicContact CG2-CG 3.89Å; H261-Y263 AromaticContact CD2-CE2 3.83Å
264A95.3Very high90.5Very high0 Ų021.1 Ų21.10%010%0.101CC..EExtended strand (participates in β ladder)trans-148.3155.8-17800000110.8I151 V152 L164 I165 L250I151-A264 CarbonylContact C-O 3.6Å; V152-A264 PolarHBondContact N-O 3.46Å; V152-A264 PolarHBondContact O-N 2.99Å; L164-A264 HydrophobicContact CB-CB 3.71Å; L164-A264 HydrophobicContact CD1-CB 4Å; L164-A264 HydrophobicContact CG-CB 4.41Å; I165-A264 CarbonylContact O-C 3.51Å; I165-A264 WeakPolarHBondContact O-CA 3.32Å; I165-A264 VanDerWaalsContact O-CB 3.28Å; I165-A264 WeakPolarHBondContact O-CB 3.34Å; L250-A264 HydrophobicContact CD1-CB 4.22Å
265V95.1Very high90.2Very high0 Ų022.5 Ų22.50%011%0.108CC..EExtended strand (participates in β ladder)trans-111136.3-177.760.20000112I28 D150 L164 I165 L167 I214 V267I28-V265 HydrophobicContact CB-CG2 4.49Å; I28-V265 HydrophobicContact CD1-CG1 4.17Å; I28-V265 HydrophobicContact CG1-CG1 4.43Å; I28-V265 HydrophobicContact CG1-CG2 4.19Å; I28-V265 HydrophobicContact CG2-CG2 4.22Å; D150-V265 WeakPolarHBondContact O-CA 3.18Å; L164-V265 CarbonylContact C-O 3.6Å; L164-V265 WeakPolarHBondContact CA-O 3.47Å; I165-V265 HydrophobicContact CB-CG1 3.89Å; I165-V265 HydrophobicContact CG2-CG1 4.47Å; I165-V265 PolarHBondContact N-O 2.94Å; I165-V265 PolarHBondContact O-N 3.09Å; L167-V265 HydrophobicContact CD1-CB 4.18Å; L167-V265 HydrophobicContact CD1-CG1 4.3Å; L167-V265 HydrophobicContact CD2-CG1 4.29Å; L167-V265 HydrophobicContact CG-CG1 4.35Å; I214-V265 HydrophobicContact CD1-CG1 3.42Å; I214-V265 VanDerWaalsContact CD1-CG1 3.42Å; V265-V267 PolarHBondContact O-N 2.74Å
266A95.4Very high89.8Confident0 Ų022 Ų220%011%0.106CC..EExtended strand (participates in β ladder)trans-71.2122.6-179.600000112.6G149 D150 L164 T269G149-A266 PolarHBondContact N-O 2.86Å; D150-A266 PolarHBondContact O-N 3.19Å; L164-A266 HydrophobicContact CD2-CB 3.96Å; A266-T269 HydrophobicContact CB-CG2 4.48Å
267V93.8Very high89.1Confident0 Ų024.9 Ų24.90%012%0.121CC..EExtended strand (participates in β ladder)trans-109.5-51.2179.1174.60000111.9R24 V26 V148 D163 I165 I214 C216 V265R24-V267 PolarHBondContact NH2-O 3.33Å; V26-V267 HydrophobicContact CG2-CG1 4.45Å; V148-V267 WeakPolarHBondContact CG1-O 3.28Å; V148-V267 WeakPolarHBondContact CG2-O 3.43Å; D163-V267 PolarHBondContact O-N 3.3Å; I165-V267 HydrophobicContact CB-CG2 4.26Å; I165-V267 HydrophobicContact CG1-CB 4.45Å; I165-V267 HydrophobicContact CG1-CG2 3.45Å; I165-V267 VanDerWaalsContact CG1-CG2 3.45Å; I214-V267 HydrophobicContact CD1-CG2 4.41Å; C216-V267 VanDerWaalsContact SG-CG1 3.51Å; V265-V267 PolarHBondContact O-N 2.74Å
268Y93.7Very high88.3Confident0 Ų025.6 Ų25.60%013%0.128CC..EExtended strand (participates in β ladder)trans-113.5130.8174.9-53.7-58.7000110.5R24 C162 D163 E217 P219 F226 T273R24-Y268 VanDerWaalsContact CZ-CD1 3.45Å; R24-Y268 VanDerWaalsContact NH1-CD1 3.27Å; C162-Y268 VanDerWaalsContact CB-O 3.32Å; C162-Y268 WeakPolarHBondContact CB-O 3.42Å; D163-Y268 HydrophobicContact CB-CD2 3.95Å; D163-Y268 HydrophobicContact CB-CG 4.43Å; D163-Y268 PolarHBondContact N-O 2.86Å; D163-Y268 VanDerWaalsContact N-O 3.09Å; D163-Y268 PolarHBondContact O-N 3.04Å; E217-Y268 PolarHBondContact O-OH 3.42Å; P219-Y268 HydrophobicContact CB-CD1 3.83Å; P219-Y268 HydrophobicContact CB-CE1 3.73Å; P219-Y268 HydrophobicContact CB-CG 4.32Å; P219-Y268 HydrophobicContact CG-CD1 4.38Å; P219-Y268 HydrophobicContact CG-CE1 4.3Å; F226-Y268 HydrophobicContact CD2-CE2 4.31Å; F226-Y268 HydrophobicContact CE2-CE2 4.02Å; Y268-T273 VanDerWaalsContact O-CG2 3.24Å; Y268-T273 WeakPolarHBondContact O-CG2 3.39Å
269T93.6Very high87.4Confident0 Ų028.3 Ų28.30%014%0.136CC..  trans-122148.9-17748.70000112P46 N48 V148 C162 A266 M271 E272P46-T269 PolarHBondContact O-OG1 2.67Å; N48-T269 HydrophobicContact CB-CG2 4.21Å; V148-T269 HydrophobicContact CG2-CG2 3.82Å; V148-T269 VanDerWaalsContact CG2-OG1 3.32Å; V148-T269 WeakPolarHBondContact CG2-OG1 3.39Å; C162-T269 HydrophobicContact CB-CG2 4.32Å; A266-T269 HydrophobicContact CB-CG2 4.48Å; T269-M271 PolarHBondContact O-N 2.93Å; T269-E272 PolarHBondContact O-N 2.85Å
270G89.4Confident85.8Confident0 Ų035.5 Ų35.50%017%0.17CC..G310 helixtrans63.1-127.7171.200000112.7N47 N48 I50 E272 T273N47-G270 WeakPolarHBondContact O-CA 3.44Å; N48-G270 PolarHBondContact OD1-N 3.35Å; I50-G270 WeakPolarHBondContact CD1-O 3.46Å; G270-E272 PolarHBondContact O-N 3.22Å; G270-T273 PolarHBondContact O-N 3Å; G270-T273 PolarHBondContact O-OG1 3.12Å
271M85.8Confident84Confident87 Ų8734.2 Ų34.243%0.42918%0.177SC..G310 helixtrans-74.8-7.9-177.6-62.2-57.9-63.200114.1I50 T269 A276I50-M271 HydrophobicContact CD1-SD 4.12Å; T269-M271 PolarHBondContact O-N 2.93Å; M271-A276 HydrophobicContact CE-CB 4.44Å; M271-A276 HydrophobicContact SD-CB 4.34Å
272E90.2Very high82.2Confident47 Ų4735.7 Ų35.722%0.2218%0.182CC..G310 helixtrans-85.9-12.3172.8-81-179.6-168.100113.4R24 P46 P219 T269 G270R24-E272 IonicContact CZ-OE2 3.33Å; R24-E272 IonicContact NH1-OE2 3.64Å; R24-E272 PolarHBondContact NH1-OE2 2.99Å; R24-E272 IonicContact NH2-OE2 3.56Å; R24-E272 PolarHBondContact NH2-OE2 2.74Å; P46-E272 VanDerWaalsContact CD-CD 3.42Å; P46-E272 WeakPolarHBondContact CD-OE1 3.27Å; P46-E272 HydrophobicContact CG-CB 4.17Å; P46-E272 HydrophobicContact CG-CG 3.69Å; P46-E272 WeakPolarHBondContact CG-OE1 3.22Å; P219-E272 HydrophobicContact CB-CB 4.29Å; P219-E272 VanDerWaalsContact CB-O 3.25Å; P219-E272 WeakPolarHBondContact CB-O 3.23Å; P219-E272 HydrophobicContact CG-CB 3.97Å; P219-E272 HydrophobicContact CG-CG 3.84Å; T269-E272 PolarHBondContact O-N 2.85Å; G270-E272 PolarHBondContact O-N 3.22Å
273T89.1Confident80.3Confident0 Ų040.7 Ų40.70%022%0.217CC..SBendtrans-60.7144176.657.10000110.5C162 D163 R252 Y268 G270 M275 A276 L277C162-T273 HydrophobicContact CB-CG2 4.22Å; D163-T273 VanDerWaalsContact OD2-CA 3.26Å; D163-T273 WeakPolarHBondContact OD2-CA 3.1Å; R252-T273 HydrophobicContact CB-CG2 4.23Å; R252-T273 WeakPolarHBondContact CD-OG1 3.31Å; Y268-T273 VanDerWaalsContact O-CG2 3.24Å; Y268-T273 WeakPolarHBondContact O-CG2 3.39Å; G270-T273 PolarHBondContact O-N 3Å; G270-T273 PolarHBondContact O-OG1 3.12Å; T273-M275 PolarHBondContact O-N 3.5Å; T273-M275 VanDerWaalsContact O-N 3.15Å; T273-A276 WeakPolarHBondContact O-CA 3.28Å; T273-A276 PolarHBondContact O-N 3.48Å; T273-A276 VanDerWaalsContact OG1-CB 3.29Å; T273-A276 WeakPolarHBondContact OG1-CB 3.36Å; T273-A276 PolarHBondContact OG1-N 3.47Å; T273-L277 PolarHBondContact O-N 3.46Å
274K85.9Confident78.8Confident0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-57.5-35.4-177.4-62.2-164.8176.9-173.40112.3D163 Q220 D222 L223 K225 L249 L251 N278D163-K274 PolarHBondContact OD2-N 3.46Å; Q220-K274 WeakPolarHBondContact O-CG 3.39Å; D222-K274 WeakPolarHBondContact O-CD 3.4Å; D222-K274 WeakPolarHBondContact O-CE 3.43Å; D222-K274 PolarHBondContact O-NZ 3.12Å; L223-K274 HydrophobicContact CD2-CB 3.97Å; L223-K274 PolarHBondContact O-NZ 3Å; K225-K274 PolarHBondContact O-NZ 3.11Å; L249-K274 HydrophobicContact CD2-CD 4.31Å; L251-K274 HydrophobicContact CD2-CB 4.4Å; L251-K274 HydrophobicContact CD2-CD 3.83Å; L251-K274 HydrophobicContact CD2-CG 4.35Å; K274-N278 PolarHBondContact O-N 3.36Å; K274-N278 PolarHBondContact O-ND2 3.44Å
275M81.2Confident77.8Confident30 Ų3047.5 Ų47.515%0.14825%0.248CC..Hα-helixtrans-60.6-44.3173-175.3-170.7-176.600112.5L183 R252 T273 N278 Y279L183-M275 HydrophobicContact CD2-CB 4.03Å; L183-M275 HydrophobicContact CD2-CE 3.97Å; L183-M275 HydrophobicContact CD2-CG 3.61Å; L183-M275 HydrophobicContact CD2-SD 3.5Å; L183-M275 WeakPolarHBondContact CD2-SD 3.24Å; R252-M275 HydrophobicContact CB-CB 4.47Å; R252-M275 HydrophobicContact CG-SD 4.15Å; T273-M275 PolarHBondContact O-N 3.5Å; T273-M275 VanDerWaalsContact O-N 3.15Å; M275-N278 PolarHBondContact O-N 2.96Å; M275-Y279 PolarHBondContact O-N 2.93Å
276A79.7Confident76.9Confident12 Ų1254.9 Ų54.910%0.09928%0.276CS..Hα-helixtrans-72.3-34.6-178.800000112.3I50 M271 T273 N278 Y279I50-A276 HydrophobicContact CD1-CB 4.15Å; M271-A276 HydrophobicContact CE-CB 4.44Å; M271-A276 HydrophobicContact SD-CB 4.34Å; T273-A276 WeakPolarHBondContact O-CA 3.28Å; T273-A276 PolarHBondContact O-N 3.48Å; T273-A276 VanDerWaalsContact OG1-CB 3.29Å; T273-A276 WeakPolarHBondContact OG1-CB 3.36Å; T273-A276 PolarHBondContact OG1-N 3.47Å; A276-N278 VanDerWaalsContact C-N 3.26Å; A276-N278 PolarHBondContact O-N 3.23Å; A276-Y279 WeakPolarHBondContact O-CB 3.42Å; A276-Y279 PolarHBondContact O-N 2.9Å
277L77.3Confident76.3Confident60 Ų6055.1 Ų55.131%0.31428%0.278SS..Hα-helixtrans-63-33.3173.3-68.3-179.5000112.6P219 P221 T273 Y279P219-L277 HydrophobicContact CB-CD1 3.96Å; P221-L277 HydrophobicContact CB-CB 4.25Å; T273-L277 PolarHBondContact O-N 3.46Å; L277-Y279 VanDerWaalsContact C-N 3.25Å; L277-Y279 PolarHBondContact O-N 2.99Å
278N67.9Low75.9Confident71 Ų7156.4 Ų56.438%0.3829%0.288SS..THydrogen-bonded Turntrans-78.7-5.9173.6-76.3-64.3000113.8P221 K274 M275 A276 Q280P221-N278 PolarHBondContact O-ND2 3.12Å; K274-N278 PolarHBondContact O-N 3.36Å; K274-N278 PolarHBondContact O-ND2 3.44Å; M275-N278 PolarHBondContact O-N 2.96Å; A276-N278 VanDerWaalsContact C-N 3.26Å; A276-N278 PolarHBondContact O-N 3.23Å; N278-Q280 PolarHBondContact O-N 3.35Å
279Y63.7Low75.5Confident90 Ų9056.5 Ų56.535%0.35329%0.289SS..SBendtrans-75.424.6176.6-142.5-86.1000112.7M275 A276 L277 S281M275-Y279 PolarHBondContact O-N 2.93Å; A276-Y279 WeakPolarHBondContact O-CB 3.42Å; A276-Y279 PolarHBondContact O-N 2.9Å; L277-Y279 VanDerWaalsContact C-N 3.25Å; L277-Y279 PolarHBondContact O-N 2.99Å; Y279-S281 PolarHBondContact O-N 2.74Å
280Q53.4Low75.1Confident153 Ų15358.8 Ų58.872%0.71530%0.299SS*.  trans-37.1125.6-170.9-76.4-157.2-400111.4N278 K282N278-Q280 PolarHBondContact O-N 3.35Å; Q280-K282 PolarHBondContact O-N 3.18Å
281S51.2Low75Confident115 Ų11566.2 Ų66.280%0.80433%0.332SS*.  trans-48.9110.8-175.455.70000109.7Y279 S283Y279-S281 PolarHBondContact O-N 2.74Å; S281-S283 PolarHBondContact O-N 3.45Å
282K55.3Low75.1Confident79 Ų7963.2 Ų63.234%0.34332%0.32SS..  trans-46.6114.8-179.7-66.6-172.9-179-170.30108.5Q280 Q284 R848 N849 S850Q280-K282 PolarHBondContact O-N 3.18Å; K282-Q284 PolarHBondContact O-N 3.29Å; K282-R848 PolarHBondContact NZ-O 3.37Å; K282-N849 WeakPolarHBondContact CE-O 3.38Å; K282-N849 PolarHBondContact NZ-O 2.64Å; K282-S850 PolarHBondContact NZ-O 2.82Å
283S54.3Low75Confident104 Ų10461.4 Ų61.473%0.72731%0.311SS*.  trans-59.3132.5171.3-176.40000107.7S281 K285S281-S283 PolarHBondContact O-N 3.45Å; S283-K285 PolarHBondContact O-N 2.89Å
284Q63.6Low75Confident103 Ų10363 Ų6348%0.48132%0.32SS..  trans-65.2106.5177.4-83.9177.2-2600109K282K282-Q284 PolarHBondContact O-N 3.29Å
285K74.6Confident75.2Confident46 Ų4664.7 Ų64.720%0.233%0.334CS..  trans-69.4139.5170.1-54.9-168.6-173-179.10108.3S283 L401 I829 A832 H833 D851S283-K285 PolarHBondContact O-N 2.89Å; K285-L401 HydrophobicContact CB-CD1 3.97Å; K285-L401 HydrophobicContact CB-CD2 4.06Å; K285-L401 HydrophobicContact CD-CD1 4.1Å; K285-I829 PolarHBondContact NZ-O 2.99Å; K285-A832 VanDerWaalsContact CE-O 3.25Å; K285-A832 WeakPolarHBondContact CE-O 3.36Å; K285-A832 PolarHBondContact NZ-O 2.93Å; K285-H833 WeakPolarHBondContact CD-O 3.32Å; K285-D851 WeakPolarHBondContact CE-OD2 3.44Å; K285-D851 IonicContact NZ-OD2 3Å; K285-D851 PolarHBondContact NZ-OD2 3.38Å
286R76.1Confident75.7Confident156 Ų15663.5 Ų63.559%0.58933%0.328SS*.  trans-119141.9178.1-66-174.6-177.5179.5-1.6108.9
287S83.6Confident76.1Confident5 Ų563 Ų634%0.03532%0.324CS..  trans-81.2155.7-177.972.50000113V289 E290 K291 E403 E404S287-V289 PolarHBondContact O-N 2.91Å; S287-E290 PolarHBondContact O-N 3.12Å; S287-E290 PolarHBondContact OG-N 2.75Å; S287-K291 PolarHBondContact O-N 3.02Å; S287-E403 WeakPolarHBondContact CB-OE1 3.43Å; S287-E403 PolarHBondContact OG-OE1 3.25Å; S287-E404 VanDerWaalsContact CA-OE2 3.25Å; S287-E404 WeakPolarHBondContact CA-OE2 3.24Å; S287-E404 VanDerWaalsContact CB-OE2 3.24Å; S287-E404 WeakPolarHBondContact CB-OE2 3.45Å
288A84.1Confident76.8Confident26 Ų2663.9 Ų63.922%0.21533%0.327CS..Hα-helixtrans-63.9-32.7174.500000112.1K291 S292 E404 I815A288-K291 PolarHBondContact O-N 3.23Å; A288-S292 PolarHBondContact O-N 3.04Å; A288-S292 VanDerWaalsContact O-N 3.11Å; A288-S292 PolarHBondContact O-OG 3.26Å; A288-E404 PolarHBondContact N-OE2 3.19Å; A288-I815 HydrophobicContact CB-CD1 4.3Å
289V85.7Confident77.9Confident3 Ų362.7 Ų62.72%0.01832%0.323CS..Hα-helixtrans-64.5-43.9175.5173.20000110.9S287 K291 S292 M293 E403 Y872 I875 L956S287-V289 PolarHBondContact O-N 2.91Å; V289-K291 VanDerWaalsContact C-N 3.31Å; V289-K291 PolarHBondContact O-N 3.44Å; V289-S292 PolarHBondContact O-N 2.88Å; V289-S292 VanDerWaalsContact O-N 3.16Å; V289-M293 WeakPolarHBondContact O-CB 3.09Å; V289-M293 PolarHBondContact O-N 3.12Å; V289-E403 HydrophobicContact CB-CG 3.96Å; V289-E403 HydrophobicContact CG2-CB 4.45Å; V289-E403 HydrophobicContact CG2-CG 3.64Å; V289-Y872 HydrophobicContact CG2-CD2 4.36Å; V289-Y872 HydrophobicContact CG2-CE2 4.28Å; V289-I875 HydrophobicContact CG1-CD1 4.14Å; V289-I875 HydrophobicContact CG1-CG1 4.24Å; V289-I875 HydrophobicContact CG1-CG2 4.11Å; V289-I875 HydrophobicContact CG2-CG2 4.17Å; V289-L956 HydrophobicContact CB-CD1 4.16Å; V289-L956 HydrophobicContact CG1-CD1 3.7Å; V289-L956 HydrophobicContact CG2-CD1 3.84Å
290E85.3Confident79.3Confident47 Ų4758.5 Ų58.522%0.2231%0.306CS..Hα-helixtrans-61.6-39.7176.9-167.5-170.3158.900111.8S287 S292 M293 N294S287-E290 PolarHBondContact O-N 3.12Å; S287-E290 PolarHBondContact OG-N 2.75Å; E290-S292 VanDerWaalsContact C-N 3.33Å; E290-S292 PolarHBondContact O-N 2.98Å; E290-M293 HydrophobicContact CG-CE 4.01Å; E290-M293 PolarHBondContact O-N 3.34Å; E290-N294 VanDerWaalsContact O-CG 3.3Å; E290-N294 PolarHBondContact O-N 3.08Å; E290-N294 PolarHBondContact O-ND2 3.44Å; E290-N294 VanDerWaalsContact O-ND2 3.15Å
291K86.8Confident81.1Confident157 Ų15753.8 Ų53.868%0.68329%0.286SS*.Hα-helixtrans-60.9-42.7175.2-172-179.2178.9-176.30111.7S287 A288 V289 N294 A295S287-K291 PolarHBondContact O-N 3.02Å; A288-K291 PolarHBondContact O-N 3.23Å; V289-K291 VanDerWaalsContact C-N 3.31Å; V289-K291 PolarHBondContact O-N 3.44Å; K291-N294 PolarHBondContact O-N 3.45Å; K291-A295 PolarHBondContact O-N 3.15Å; K291-A295 VanDerWaalsContact O-N 3.16Å
292S88.4Confident83.2Confident24 Ų2454.9 Ų54.917%0.16828%0.276CS..Hα-helixtrans-68.6-43.1179-54.20000111.6A288 V289 E290 N294 A295 F296 N953A288-S292 PolarHBondContact O-N 3.04Å; A288-S292 VanDerWaalsContact O-N 3.11Å; A288-S292 PolarHBondContact O-OG 3.26Å; V289-S292 PolarHBondContact O-N 2.88Å; V289-S292 VanDerWaalsContact O-N 3.16Å; E290-S292 VanDerWaalsContact C-N 3.33Å; E290-S292 PolarHBondContact O-N 2.98Å; S292-N294 VanDerWaalsContact C-N 3.33Å; S292-N294 PolarHBondContact O-N 3.05Å; S292-A295 WeakPolarHBondContact O-CB 3.17Å; S292-A295 PolarHBondContact O-N 3.35Å; S292-A295 VanDerWaalsContact O-N 3.07Å; S292-F296 WeakPolarHBondContact O-CG 3.37Å; S292-F296 PolarHBondContact O-N 3.09Å; S292-N953 PolarHBondContact OG-ND2 3.33Å
293M88.3Confident85Confident8 Ų853.5 Ų53.54%0.03927%0.272CS..Hα-helixtrans-58.4-43.2174.8-178.1-178.464.300112V289 E290 A295 F296 L297 M364 Y365 V879V289-M293 WeakPolarHBondContact O-CB 3.09Å; V289-M293 PolarHBondContact O-N 3.12Å; E290-M293 HydrophobicContact CG-CE 4.01Å; E290-M293 PolarHBondContact O-N 3.34Å; M293-A295 VanDerWaalsContact C-N 3.31Å; M293-A295 PolarHBondContact O-N 2.99Å; M293-F296 PolarHBondContact O-N 3.37Å; M293-L297 PolarHBondContact O-N 3.09Å; M293-M364 HydrophobicContact CG-CE 3.52Å; M293-M364 HydrophobicContact CG-SD 4Å; M293-M364 HydrophobicContact SD-CE 3.41Å; M293-M364 WeakPolarHBondContact SD-CE 3.5Å; M293-M364 HydrophobicContact SD-CG 4.28Å; M293-M364 HydrophobicContact SD-SD 3.83Å; M293-Y365 HydrophobicContact CE-CD1 3.69Å; M293-Y365 HydrophobicContact CE-CE1 3.14Å; M293-Y365 HydrophobicContact SD-CE1 4.23Å; M293-V879 HydrophobicContact CG-CG1 4.47Å
294N88.1Confident86.9Confident34 Ų3448.5 Ų48.518%0.18224%0.238CC..Hα-helixtrans-64.4-34.8175.5-71.9-33.6000112.2E290 K291 S292 L297 I298 Y365E290-N294 VanDerWaalsContact O-CG 3.3Å; E290-N294 PolarHBondContact O-N 3.08Å; E290-N294 PolarHBondContact O-ND2 3.44Å; E290-N294 VanDerWaalsContact O-ND2 3.15Å; K291-N294 PolarHBondContact O-N 3.45Å; S292-N294 VanDerWaalsContact C-N 3.33Å; S292-N294 PolarHBondContact O-N 3.05Å; N294-L297 PolarHBondContact O-N 2.9Å; N294-I298 WeakPolarHBondContact O-CG1 3.46Å; N294-I298 PolarHBondContact O-N 3.24Å; N294-Y365 PolarHBondContact OD1-OH 3.08Å
295A90Very high88.4Confident36 Ų3646.6 Ų46.630%0.29823%0.23SC..Hα-helixtrans-65.8-42.4173.900000111.9K291 S292 M293 L297 I298 V299 W958K291-A295 PolarHBondContact O-N 3.15Å; K291-A295 VanDerWaalsContact O-N 3.16Å; S292-A295 WeakPolarHBondContact O-CB 3.17Å; S292-A295 PolarHBondContact O-N 3.35Å; S292-A295 VanDerWaalsContact O-N 3.07Å; M293-A295 VanDerWaalsContact C-N 3.31Å; M293-A295 PolarHBondContact O-N 2.99Å; A295-L297 VanDerWaalsContact C-N 3.35Å; A295-I298 PolarHBondContact O-N 3.39Å; A295-V299 PolarHBondContact O-N 3.29Å; A295-W958 HydrophobicContact CB-CH2 4.48Å; A295-W958 HydrophobicContact CB-CZ2 4.47Å
296F91.5Very high89.4Confident4 Ų447 Ų472%0.01824%0.238CC..Hα-helixtrans-63.2-40.8174.4-61.2-21.6000112.1S292 M293 I298 V299 Y300 V879 F883 L956 W958 F961S292-F296 WeakPolarHBondContact O-CG 3.37Å; S292-F296 PolarHBondContact O-N 3.09Å; M293-F296 PolarHBondContact O-N 3.37Å; F296-I298 VanDerWaalsContact C-N 3.29Å; F296-I298 PolarHBondContact O-N 3.32Å; F296-V299 WeakPolarHBondContact O-CB 3.37Å; F296-V299 PolarHBondContact O-N 3.24Å; F296-V299 VanDerWaalsContact O-N 3.09Å; F296-Y300 WeakPolarHBondContact O-CD2 3.49Å; F296-Y300 PolarHBondContact O-N 2.95Å; F296-V879 HydrophobicContact CD2-CG1 4.47Å; F296-F883 HydrophobicContact CB-CE2 3.82Å; F296-F883 HydrophobicContact CB-CZ 3.87Å; F296-F883 HydrophobicContact CD2-CD2 4.42Å; F296-F883 HydrophobicContact CD2-CE2 4.01Å; F296-F883 HydrophobicContact CG-CE2 4.42Å; F296-L956 HydrophobicContact CE2-CB 4.41Å; F296-L956 HydrophobicContact CE2-CD2 4.14Å; F296-L956 HydrophobicContact CZ-CB 4.42Å; F296-L956 WeakPolarHBondContact CZ-O 3.36Å; F296-W958 HydrophobicContact CD1-CE3 4.38Å; F296-W958 HydrophobicContact CD1-CH2 4.05Å; F296-W958 AromaticContact CD1-CZ3 3.79Å; F296-W958 HydrophobicContact CD1-CZ3 3.79Å; F296-W958 HydrophobicContact CE1-CD2 4.5Å; F296-W958 HydrophobicContact CE1-CE3 4.03Å; F296-W958 HydrophobicContact CE1-CH2 4.27Å; F296-W958 AromaticContact CE1-CZ3 3.9Å; F296-W958 HydrophobicContact CE1-CZ3 3.9Å; F296-F961 HydrophobicContact CB-CD2 4.35Å; F296-F961 HydrophobicContact CB-CE2 3.66Å; F296-F961 HydrophobicContact CB-CZ 3.88Å; F296-F961 HydrophobicContact CD1-CD1 4.01Å; F296-F961 AromaticContact CD1-CD2 3.77Å; F296-F961 HydrophobicContact CD1-CD2 3.77Å; F296-F961 HydrophobicContact CD1-CE1 4.07Å; F296-F961 AromaticContact CD1-CE2 3.82Å; F296-F961 HydrophobicContact CD1-CE2 3.82Å; F296-F961 AromaticContact CD1-CG 3.85Å; F296-F961 HydrophobicContact CD1-CG 3.85Å; F296-F961 AromaticContact CD1-CZ 3.96Å; F296-F961 HydrophobicContact CD1-CZ 3.96Å; F296-F961 AromaticContact CD2-CD2 3.63Å; F296-F961 HydrophobicContact CD2-CD2 3.63Å; F296-F961 AromaticContact CD2-CE2 3.77Å; F296-F961 HydrophobicContact CD2-CE2 3.77Å; F296-F961 HydrophobicContact CD2-CG 4.39Å; F296-F961 HydrophobicContact CE1-CB 3.87Å; F296-F961 HydrophobicContact CE1-CD1 4.02Å; F296-F961 AromaticContact CE1-CD2 3.87Å; F296-F961 HydrophobicContact CE1-CD2 3.87Å; F296-F961 HydrophobicContact CE1-CE2 4.38Å; F296-F961 AromaticContact CE1-CG 3.64Å; F296-F961 HydrophobicContact CE1-CG 3.64Å; F296-F961 HydrophobicContact CE2-CB 4.32Å; F296-F961 AromaticContact CE2-CD2 3.71Å; F296-F961 HydrophobicContact CE2-CD2 3.71Å; F296-F961 HydrophobicContact CE2-CE2 4.32Å; F296-F961 HydrophobicContact CE2-CG 4.2Å; F296-F961 AromaticContact CG-CD2 3.66Å; F296-F961 HydrophobicContact CG-CD2 3.66Å; F296-F961 HydrophobicContact CG-CE1 4.49Å; F296-F961 AromaticContact CG-CE2 3.48Å; F296-F961 HydrophobicContact CG-CE2 3.48Å; F296-F961 VanDerWaalsContact CG-CE2 3.48Å; F296-F961 HydrophobicContact CG-CG 4.23Å; F296-F961 AromaticContact CG-CZ 3.93Å; F296-F961 HydrophobicContact CG-CZ 3.93Å; F296-F961 HydrophobicContact CZ-CB 3.72Å; F296-F961 AromaticContact CZ-CD2 3.82Å; F296-F961 HydrophobicContact CZ-CD2 3.82Å; F296-F961 AromaticContact CZ-CG 3.81Å; F296-F961 HydrophobicContact CZ-CG 3.81Å
297L89.7Confident90.2Very high3 Ų340.2 Ų40.22%0.01621%0.213CC..Hα-helixtrans-59.6-39.5177-173.6129.8000112.2I72 A73 M293 N294 A295 Y300 L301 I360 Y365I72-L297 HydrophobicContact CG2-CD2 3.9Å; A73-L297 HydrophobicContact CB-CD1 3.73Å; M293-L297 PolarHBondContact O-N 3.09Å; N294-L297 PolarHBondContact O-N 2.9Å; A295-L297 VanDerWaalsContact C-N 3.35Å; L297-Y300 PolarHBondContact O-N 3.4Å; L297-L301 PolarHBondContact O-N 2.91Å; L297-I360 HydrophobicContact CD1-CG2 3.67Å; L297-I360 HydrophobicContact CG-CG2 4.25Å; L297-Y365 HydrophobicContact CD1-CE2 3.98Å
298I90.6Very high90.8Very high77 Ų7740 Ų4040%0.39521%0.211SC..Hα-helixtrans-62.5-42.8174.5-68.1166.7000110.9N294 A295 F296 Y300 L301 F302N294-I298 WeakPolarHBondContact O-CG1 3.46Å; N294-I298 PolarHBondContact O-N 3.24Å; A295-I298 PolarHBondContact O-N 3.39Å; F296-I298 VanDerWaalsContact C-N 3.29Å; F296-I298 PolarHBondContact O-N 3.32Å; I298-Y300 PolarHBondContact O-N 3.41Å; I298-L301 WeakPolarHBondContact O-CB 3.44Å; I298-L301 PolarHBondContact O-N 2.85Å; I298-F302 HydrophobicContact CG2-CD2 3.93Å; I298-F302 HydrophobicContact CG2-CE2 3.57Å; I298-F302 WeakPolarHBondContact O-CD2 3.21Å; I298-F302 PolarHBondContact O-N 3.42Å; I298-F302 VanDerWaalsContact O-N 3.09Å
299V92.6Very high91.3Very high47 Ų4741.8 Ų41.829%0.28522%0.22SC..Hα-helixtrans-61.1-44.6175.8174.50000111.1A295 F296 L301 F302 I303 W958 F961A295-V299 PolarHBondContact O-N 3.29Å; F296-V299 WeakPolarHBondContact O-CB 3.37Å; F296-V299 PolarHBondContact O-N 3.24Å; F296-V299 VanDerWaalsContact O-N 3.09Å; V299-L301 VanDerWaalsContact C-N 3.31Å; V299-L301 PolarHBondContact O-N 3.46Å; V299-F302 WeakPolarHBondContact O-CB 3.38Å; V299-F302 PolarHBondContact O-N 3.45Å; V299-F302 VanDerWaalsContact O-N 3.15Å; V299-I303 HydrophobicContact CG1-CD1 4.07Å; V299-I303 WeakPolarHBondContact O-CG1 3.39Å; V299-I303 PolarHBondContact O-N 3.48Å; V299-W958 HydrophobicContact CG2-CH2 3.77Å; V299-W958 HydrophobicContact CG2-CZ3 3.87Å; V299-F961 HydrophobicContact CG1-CE1 4.44Å
300Y92.3Very high91.8Very high1 Ų145.4 Ų45.40%0.00424%0.238CC..Hα-helixtrans-65.8-32176.8-86.5-76.1000113.6F296 L297 I298 F302 I303 L304 I359 F883 V887 F961 T965F296-Y300 WeakPolarHBondContact O-CD2 3.49Å; F296-Y300 PolarHBondContact O-N 2.95Å; L297-Y300 PolarHBondContact O-N 3.4Å; I298-Y300 PolarHBondContact O-N 3.41Å; Y300-F302 VanDerWaalsContact C-N 3.35Å; Y300-I303 HydrophobicContact CD1-CD1 4.31Å; Y300-I303 HydrophobicContact CE1-CD1 4.46Å; Y300-I303 PolarHBondContact O-N 2.66Å; Y300-L304 VanDerWaalsContact O-CB 3.31Å; Y300-L304 WeakPolarHBondContact O-CB 3.4Å; Y300-L304 PolarHBondContact O-N 2.88Å; Y300-I359 HydrophobicContact CD1-CD1 3.83Å; Y300-I359 HydrophobicContact CD1-CG1 3.72Å; Y300-I359 HydrophobicContact CE1-CD1 4.2Å; Y300-I359 HydrophobicContact CE1-CG1 4.02Å; Y300-F883 AromaticContact CD2-CD1 3.4Å; Y300-F883 HydrophobicContact CD2-CD1 3.4Å; Y300-F883 VanDerWaalsContact CD2-CD1 3.4Å; Y300-F883 AromaticContact CD2-CE1 3.45Å; Y300-F883 HydrophobicContact CD2-CE1 3.45Å; Y300-F883 VanDerWaalsContact CD2-CE1 3.45Å; Y300-F883 HydrophobicContact CD2-CG 4.24Å; Y300-F883 HydrophobicContact CD2-CZ 4.32Å; Y300-F883 HydrophobicContact CE2-CB 3.9Å; Y300-F883 AromaticContact CE2-CD1 3.14Å; Y300-F883 HydrophobicContact CE2-CD1 3.14Å; Y300-F883 HydrophobicContact CE2-CD2 4.47Å; Y300-F883 AromaticContact CE2-CE1 3.7Å; Y300-F883 HydrophobicContact CE2-CE1 3.7Å; Y300-F883 AromaticContact CE2-CG 3.6Å; Y300-F883 HydrophobicContact CE2-CG 3.6Å; Y300-F883 HydrophobicContact CG-CD1 4.2Å; Y300-F883 HydrophobicContact CG-CE1 4.22Å; Y300-F883 AromaticContact CZ-CD1 3.79Å; Y300-V887 HydrophobicContact CE1-CG2 3.52Å; Y300-V887 WeakPolarHBondContact OH-CG2 3.18Å; Y300-F961 HydrophobicContact CD2-CE2 4.39Å; Y300-F961 AromaticContact CD2-CZ 3.96Å; Y300-F961 HydrophobicContact CD2-CZ 3.96Å; Y300-F961 AromaticContact CE2-CE2 3.61Å; Y300-F961 HydrophobicContact CE2-CE2 3.61Å; Y300-F961 AromaticContact CE2-CZ 3.37Å; Y300-F961 HydrophobicContact CE2-CZ 3.37Å; Y300-T965 PolarHBondContact OH-OG1 3.35Å
301L92.1Very high92.2Very high55 Ų5543.1 Ų43.129%0.28823%0.228SC..Hα-helixtrans-63.2-41.8171.4-176.765.3000111.2Y76 L297 I298 V299 L304 I305 I360Y76-L301 HydrophobicContact CD2-CD1 4.06Å; Y76-L301 HydrophobicContact CE2-CD1 3.95Å; L297-L301 PolarHBondContact O-N 2.91Å; I298-L301 WeakPolarHBondContact O-CB 3.44Å; I298-L301 PolarHBondContact O-N 2.85Å; V299-L301 VanDerWaalsContact C-N 3.31Å; V299-L301 PolarHBondContact O-N 3.46Å; L301-L304 HydrophobicContact CD1-CD2 4.47Å; L301-L304 WeakPolarHBondContact O-CB 3.47Å; L301-L304 PolarHBondContact O-N 3.07Å; L301-I305 HydrophobicContact CD1-CD1 4.43Å; L301-I305 HydrophobicContact CG-CD1 4.18Å; L301-I305 VanDerWaalsContact O-CG1 3.3Å; L301-I305 WeakPolarHBondContact O-CG1 3.39Å; L301-I305 PolarHBondContact O-N 3.29Å; L301-I360 HydrophobicContact CB-CD1 4.41Å; L301-I360 HydrophobicContact CD1-CD1 4.33Å
302F94.3Very high92.6Very high137 Ų13736.4 Ų36.460%0.60120%0.199SC*.Hα-helixtrans-64.7-42.8173-75.6-66.7000112.3I298 V299 Y300 L304 I305 S306I298-F302 HydrophobicContact CG2-CD2 3.93Å; I298-F302 HydrophobicContact CG2-CE2 3.57Å; I298-F302 WeakPolarHBondContact O-CD2 3.21Å; I298-F302 PolarHBondContact O-N 3.42Å; I298-F302 VanDerWaalsContact O-N 3.09Å; V299-F302 WeakPolarHBondContact O-CB 3.38Å; V299-F302 PolarHBondContact O-N 3.45Å; V299-F302 VanDerWaalsContact O-N 3.15Å; Y300-F302 VanDerWaalsContact C-N 3.35Å; F302-L304 VanDerWaalsContact C-N 3.32Å; F302-L304 PolarHBondContact O-N 3.26Å; F302-I305 PolarHBondContact O-N 3.42Å; F302-S306 WeakPolarHBondContact O-CB 3Å; F302-S306 PolarHBondContact O-N 3.29Å; F302-S306 PolarHBondContact O-OG 2.85Å
303I93.6Very high92.9Very high50 Ų5039.7 Ų39.726%0.25622%0.218SC..Hα-helixtrans-60.4-44175.6-67170000110.4V299 Y300 S306 K307 I359V299-I303 HydrophobicContact CG1-CD1 4.07Å; V299-I303 WeakPolarHBondContact O-CG1 3.39Å; V299-I303 PolarHBondContact O-N 3.48Å; Y300-I303 HydrophobicContact CD1-CD1 4.31Å; Y300-I303 HydrophobicContact CE1-CD1 4.46Å; Y300-I303 PolarHBondContact O-N 2.66Å; I303-S306 WeakPolarHBondContact CA-OG 3.42Å; I303-S306 PolarHBondContact O-N 2.97Å; I303-S306 PolarHBondContact O-OG 3.28Å; I303-K307 HydrophobicContact CG2-CD 4.33Å; I303-K307 WeakPolarHBondContact O-CG 3.45Å; I303-K307 PolarHBondContact O-N 2.96Å; I303-I359 HydrophobicContact CB-CD1 4.48Å; I303-I359 HydrophobicContact CG2-CD1 3.72Å
304L94.4Very high93.2Very high0 Ų042.2 Ų42.20%023%0.232CC..Hα-helixtrans-58.2-53177.1173.861.8000111.8Y76 Y300 L301 F302 S306 K307 A308 M353 F356 I359 I360Y76-L304 HydrophobicContact CE2-CD2 4.01Å; Y76-L304 WeakPolarHBondContact OH-CD2 3.46Å; Y300-L304 VanDerWaalsContact O-CB 3.31Å; Y300-L304 WeakPolarHBondContact O-CB 3.4Å; Y300-L304 PolarHBondContact O-N 2.88Å; L301-L304 HydrophobicContact CD1-CD2 4.47Å; L301-L304 WeakPolarHBondContact O-CB 3.47Å; L301-L304 PolarHBondContact O-N 3.07Å; F302-L304 VanDerWaalsContact C-N 3.32Å; F302-L304 PolarHBondContact O-N 3.26Å; L304-S306 VanDerWaalsContact C-N 3.27Å; L304-S306 PolarHBondContact O-N 3.04Å; L304-K307 PolarHBondContact O-N 3.49Å; L304-A308 PolarHBondContact O-N 2.93Å; L304-M353 HydrophobicContact CD1-SD 4.42Å; L304-M353 HydrophobicContact CD2-CE 3.65Å; L304-M353 HydrophobicContact CD2-SD 4.3Å; L304-M353 HydrophobicContact CG-CE 3.86Å; L304-M353 HydrophobicContact CG-SD 3.86Å; L304-F356 HydrophobicContact CD1-CB 3.42Å; L304-F356 VanDerWaalsContact CD1-CB 3.42Å; L304-F356 WeakPolarHBondContact CD1-O 3.42Å; L304-I359 HydrophobicContact CB-CG2 3.94Å; L304-I359 HydrophobicContact CD1-CG2 4.01Å; L304-I359 HydrophobicContact CD2-CG2 4.48Å; L304-I359 HydrophobicContact CG-CG2 4.36Å; L304-I360 HydrophobicContact CD2-CD1 4.43Å
305I94.6Very high93.4Very high63 Ų6341.4 Ų41.432%0.32323%0.227SC..Hα-helixtrans-59.2-43.6179-67.3166.4000109.7L301 F302 K307 A308 V309 M353L301-I305 HydrophobicContact CD1-CD1 4.43Å; L301-I305 HydrophobicContact CG-CD1 4.18Å; L301-I305 VanDerWaalsContact O-CG1 3.3Å; L301-I305 WeakPolarHBondContact O-CG1 3.39Å; L301-I305 PolarHBondContact O-N 3.29Å; F302-I305 PolarHBondContact O-N 3.42Å; I305-K307 PolarHBondContact O-N 2.87Å; I305-A308 PolarHBondContact O-N 2.85Å; I305-V309 HydrophobicContact CG2-CG2 4.17Å; I305-V309 VanDerWaalsContact O-CG2 3.32Å; I305-V309 WeakPolarHBondContact O-CG2 3.48Å; I305-V309 PolarHBondContact O-N 3.37Å; I305-M353 HydrophobicContact CG1-CE 4.04Å; I305-M353 HydrophobicContact CG1-SD 4.07Å
306S95Very high93.5Very high53 Ų5341.9 Ų41.937%0.37122%0.221SC..Hα-helixtrans-60.2-43.2178.675.80000112.6F302 I303 L304 A308 V309 I310F302-S306 WeakPolarHBondContact O-CB 3Å; F302-S306 PolarHBondContact O-N 3.29Å; F302-S306 PolarHBondContact O-OG 2.85Å; I303-S306 WeakPolarHBondContact CA-OG 3.42Å; I303-S306 PolarHBondContact O-N 2.97Å; I303-S306 PolarHBondContact O-OG 3.28Å; L304-S306 VanDerWaalsContact C-N 3.27Å; L304-S306 PolarHBondContact O-N 3.04Å; S306-A308 PolarHBondContact O-N 3.08Å; S306-V309 PolarHBondContact O-N 2.89Å; S306-I310 WeakPolarHBondContact O-CB 3.34Å; S306-I310 WeakPolarHBondContact O-CD1 3.4Å; S306-I310 WeakPolarHBondContact O-CG1 3.44Å; S306-I310 PolarHBondContact O-N 3.3Å
307K93.6Very high93.5Very high14 Ų1444.7 Ų44.76%0.06125%0.245CC..Hα-helixtrans-63-42.9176.5-73.9178.7177-1770111.9I303 L304 I305 N311 F356 I359 F894I303-K307 HydrophobicContact CG2-CD 4.33Å; I303-K307 WeakPolarHBondContact O-CG 3.45Å; I303-K307 PolarHBondContact O-N 2.96Å; L304-K307 PolarHBondContact O-N 3.49Å; I305-K307 PolarHBondContact O-N 2.87Å; K307-N311 WeakPolarHBondContact O-CB 3.41Å; K307-N311 PolarHBondContact O-N 2.96Å; K307-F356 HydrophobicContact CB-CD2 3.99Å; K307-F356 HydrophobicContact CB-CE2 4.25Å; K307-I359 HydrophobicContact CD-CD1 4.45Å; K307-F894 HydrophobicContact CB-CD2 4Å; K307-F894 HydrophobicContact CB-CE2 4.11Å; K307-F894 HydrophobicContact CD-CB 4.5Å; K307-F894 HydrophobicContact CD-CD2 4.19Å; K307-F894 HydrophobicContact CD-CG 4.29Å; K307-F894 HydrophobicContact CG-CD2 3.95Å; K307-F894 HydrophobicContact CG-CE2 4.04Å; K307-F894 HydrophobicContact CG-CG 4.44Å
308A95Very high93.5Very high0 Ų050.1 Ų50.10%027%0.265CS..Hα-helixtrans-66-42.917800000111.8L304 I305 S306 T312 F349 F352 M353L304-A308 PolarHBondContact O-N 2.93Å; I305-A308 PolarHBondContact O-N 2.85Å; S306-A308 PolarHBondContact O-N 3.08Å; A308-T312 WeakPolarHBondContact O-CB 3.44Å; A308-T312 PolarHBondContact O-N 3.07Å; A308-T312 PolarHBondContact O-OG1 2.97Å; A308-F349 HydrophobicContact CB-CD2 3.92Å; A308-F349 HydrophobicContact CB-CE2 3.68Å; A308-F352 HydrophobicContact CB-CB 3.91Å; A308-M353 HydrophobicContact CB-CG 3.83Å; A308-M353 HydrophobicContact CB-SD 3.71Å
309V95.5Very high93.4Very high65 Ų6547.9 Ų47.939%0.39425%0.253SS..Hα-helixtrans-62.6-50.3175.5172.60000110.9I305 S306 N311 T312 V313 F349I305-V309 HydrophobicContact CG2-CG2 4.17Å; I305-V309 VanDerWaalsContact O-CG2 3.32Å; I305-V309 WeakPolarHBondContact O-CG2 3.48Å; I305-V309 PolarHBondContact O-N 3.37Å; S306-V309 PolarHBondContact O-N 2.89Å; V309-N311 VanDerWaalsContact C-N 3.35Å; V309-N311 PolarHBondContact O-N 3.24Å; V309-T312 PolarHBondContact O-N 3.18Å; V309-V313 HydrophobicContact CG1-CG2 4.19Å; V309-V313 WeakPolarHBondContact O-CG2 3.27Å; V309-V313 PolarHBondContact O-N 2.98Å; V309-F349 HydrophobicContact CG2-CD2 4.27Å; V309-F349 HydrophobicContact CG2-CE2 3.71Å
310I95.6Very high93.1Very high78 Ų7856.6 Ų56.640%0.428%0.281SS..Hα-helixtrans-56.2-49.3-179.7-71.4165000110.4S306 T312 V313 L314S306-I310 WeakPolarHBondContact O-CB 3.34Å; S306-I310 WeakPolarHBondContact O-CD1 3.4Å; S306-I310 WeakPolarHBondContact O-CG1 3.44Å; S306-I310 PolarHBondContact O-N 3.3Å; I310-T312 PolarHBondContact O-N 3.06Å; I310-V313 PolarHBondContact O-N 3.48Å; I310-L314 HydrophobicContact CG2-CD1 3.72Å; I310-L314 HydrophobicContact CG2-CG 4.33Å; I310-L314 WeakPolarHBondContact O-CB 3.35Å; I310-L314 VanDerWaalsContact O-CG 3.25Å; I310-L314 WeakPolarHBondContact O-CG 3.49Å; I310-L314 PolarHBondContact O-N 3.47Å
311N94.8Very high92.7Very high0 Ų058.4 Ų58.40%029%0.294CS..Hα-helixtrans-69-32.6-179.6-76.9-12.1000113.2K307 V309 K315 F352 F356 F894 F902K307-N311 WeakPolarHBondContact O-CB 3.41Å; K307-N311 PolarHBondContact O-N 2.96Å; V309-N311 VanDerWaalsContact C-N 3.35Å; V309-N311 PolarHBondContact O-N 3.24Å; N311-K315 WeakPolarHBondContact O-CB 3.4Å; N311-K315 PolarHBondContact O-N 3.23Å; N311-F352 HydrophobicContact CB-CD1 3.98Å; N311-F352 HydrophobicContact CB-CD2 4.2Å; N311-F352 HydrophobicContact CB-CE1 3.78Å; N311-F352 HydrophobicContact CB-CE2 4.02Å; N311-F352 HydrophobicContact CB-CG 4.19Å; N311-F352 HydrophobicContact CB-CZ 3.82Å; N311-F356 VanDerWaalsContact ND2-CE2 3.25Å; N311-F356 WeakPolarHBondContact ND2-CE2 3.46Å; N311-F356 WeakPolarHBondContact ND2-CZ 3.37Å; N311-F894 WeakPolarHBondContact ND2-CD2 3.24Å; N311-F894 WeakPolarHBondContact OD1-CE2 3.36Å; N311-F902 HydrophobicContact CB-CD1 4.23Å
312T94.8Very high92.1Very high15 Ų1560.8 Ų60.89%0.09231%0.313CS..Hα-helixtrans-65.8-49.2173.5-53.80000110.2A308 V309 I310 L314 K315 Y316 F349 F352A308-T312 WeakPolarHBondContact O-CB 3.44Å; A308-T312 PolarHBondContact O-N 3.07Å; A308-T312 PolarHBondContact O-OG1 2.97Å; V309-T312 PolarHBondContact O-N 3.18Å; I310-T312 PolarHBondContact O-N 3.06Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-L314 PolarHBondContact O-N 3.15Å; T312-K315 WeakPolarHBondContact O-CB 3.46Å; T312-K315 PolarHBondContact O-N 3.48Å; T312-Y316 HydrophobicContact CG2-CD2 4.04Å; T312-Y316 HydrophobicContact CG2-CE2 4.08Å; T312-Y316 VanDerWaalsContact O-CD2 3.31Å; T312-Y316 WeakPolarHBondContact O-CD2 3.24Å; T312-Y316 PolarHBondContact O-N 2.95Å; T312-Y316 VanDerWaalsContact O-N 3.1Å; T312-F349 HydrophobicContact CG2-CB 4.29Å; T312-F349 WeakPolarHBondContact OG1-CA 3.43Å; T312-F352 WeakPolarHBondContact OG1-CD2 3.5Å
313V94.8Very high91.4Very high93 Ų9360.9 Ų60.956%0.56432%0.32SS*.Hα-helixtrans-59.7-45.9178.4172.60000110.9V309 I310 Y316 A317V309-V313 HydrophobicContact CG1-CG2 4.19Å; V309-V313 WeakPolarHBondContact O-CG2 3.27Å; V309-V313 PolarHBondContact O-N 2.98Å; I310-V313 PolarHBondContact O-N 3.48Å; V313-Y316 PolarHBondContact O-N 2.97Å; V313-A317 WeakPolarHBondContact O-CB 3.48Å; V313-A317 PolarHBondContact O-N 3.38Å
314L94.6Very high90.7Very high62 Ų6264.6 Ų64.633%0.32533%0.33SS..Hα-helixtrans-67.4-34.6178.4-68.1176.7000112.9I310 T312 A317 W318 F898 F902I310-L314 HydrophobicContact CG2-CD1 3.72Å; I310-L314 HydrophobicContact CG2-CG 4.33Å; I310-L314 WeakPolarHBondContact O-CB 3.35Å; I310-L314 VanDerWaalsContact O-CG 3.25Å; I310-L314 WeakPolarHBondContact O-CG 3.49Å; I310-L314 PolarHBondContact O-N 3.47Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-L314 PolarHBondContact O-N 3.15Å; L314-A317 PolarHBondContact O-N 3.39Å; L314-W318 VanDerWaalsContact O-CB 3.26Å; L314-W318 WeakPolarHBondContact O-CB 3.35Å; L314-W318 PolarHBondContact O-N 3.02Å; L314-F898 HydrophobicContact CD1-CD1 4.36Å; L314-F898 HydrophobicContact CD1-CE1 3.54Å; L314-F898 HydrophobicContact CD1-CZ 4.14Å; L314-F902 HydrophobicContact CB-CD1 4.34Å; L314-F902 HydrophobicContact CB-CD2 4.46Å; L314-F902 HydrophobicContact CB-CE1 3.77Å; L314-F902 HydrophobicContact CB-CE2 3.91Å; L314-F902 HydrophobicContact CB-CZ 3.53Å; L314-F902 HydrophobicContact CD1-CE1 4.07Å; L314-F902 HydrophobicContact CD1-CZ 3.95Å; L314-F902 HydrophobicContact CG-CZ 4.37Å
315K92.9Very high89.9Confident17 Ų1766.6 Ų66.67%0.07434%0.341CS..Hα-helixtrans-57.3-52.9172.2-177.6178.3-176.41710111N311 T312 A317 W318 Q319 D348 F352 F902N311-K315 WeakPolarHBondContact O-CB 3.4Å; N311-K315 PolarHBondContact O-N 3.23Å; T312-K315 WeakPolarHBondContact O-CB 3.46Å; T312-K315 PolarHBondContact O-N 3.48Å; K315-A317 VanDerWaalsContact C-N 3.34Å; K315-A317 PolarHBondContact O-N 3.06Å; K315-W318 PolarHBondContact O-N 3.45Å; K315-Q319 WeakPolarHBondContact O-CB 3.49Å; K315-Q319 WeakPolarHBondContact O-CG 3.22Å; K315-Q319 PolarHBondContact O-N 2.64Å; K315-D348 HydrophobicContact CD-CB 4.47Å; K315-D348 IonicContact NZ-OD1 3.2Å; K315-D348 PolarHBondContact NZ-OD1 3.15Å; K315-D348 IonicContact NZ-OD2 3.33Å; K315-D348 PolarHBondContact NZ-OD2 3.11Å; K315-F352 HydrophobicContact CD-CE2 4.23Å; K315-F902 HydrophobicContact CB-CB 3.58Å; K315-F902 HydrophobicContact CB-CG 4.21Å; K315-F902 HydrophobicContact CD-CB 4.44Å; K315-F902 WeakPolarHBondContact CD-O 3.28Å; K315-F902 HydrophobicContact CG-CB 3.89Å
316Y91.7Very high89.3Confident46 Ų4666.6 Ų66.618%0.1834%0.34CS..Hα-helixtrans-70.8-30.3-178.7-78.9-86.1000112.5T312 V313 W320 V341 R344 A345 D348T312-Y316 HydrophobicContact CG2-CD2 4.04Å; T312-Y316 HydrophobicContact CG2-CE2 4.08Å; T312-Y316 VanDerWaalsContact O-CD2 3.31Å; T312-Y316 WeakPolarHBondContact O-CD2 3.24Å; T312-Y316 PolarHBondContact O-N 2.95Å; T312-Y316 VanDerWaalsContact O-N 3.1Å; V313-Y316 PolarHBondContact O-N 2.97Å; Y316-W320 PolarHBondContact O-N 3.34Å; Y316-V341 HydrophobicContact CE1-CG1 4Å; Y316-R344 VanDerWaalsContact OH-C 3.28Å; Y316-R344 WeakPolarHBondContact OH-CG 3.32Å; Y316-R344 PolarHBondContact OH-NE 2.86Å; Y316-A345 HydrophobicContact CD2-CB 4.29Å; Y316-A345 HydrophobicContact CE1-CB 4.22Å; Y316-A345 HydrophobicContact CE2-CB 3.58Å; Y316-A345 WeakPolarHBondContact OH-CA 3.35Å; Y316-A345 PolarHBondContact OH-N 3.39Å; Y316-D348 HydrophobicContact CE2-CB 4.41Å; Y316-D348 PolarHBondContact OH-OD2 3.04Å
317A91.4Very high88.6Confident63 Ų6365.4 Ų65.452%0.52133%0.331SS..Hα-helixtrans-66.7-40.6170.700000112V313 L314 K315 W320V313-A317 WeakPolarHBondContact O-CB 3.48Å; V313-A317 PolarHBondContact O-N 3.38Å; L314-A317 PolarHBondContact O-N 3.39Å; K315-A317 VanDerWaalsContact C-N 3.34Å; K315-A317 PolarHBondContact O-N 3.06Å; A317-W320 VanDerWaalsContact O-CB 3.29Å; A317-W320 WeakPolarHBondContact O-CB 3.43Å; A317-W320 PolarHBondContact O-N 3.48Å
318W89.3Confident88.2Confident116 Ų11675 Ų7544%0.43937%0.367SS..Hα-helixtrans-68.2-39176.4179.7-96.5000112.6L314 K315 W320 F902L314-W318 VanDerWaalsContact O-CB 3.26Å; L314-W318 WeakPolarHBondContact O-CB 3.35Å; L314-W318 PolarHBondContact O-N 3.02Å; K315-W318 PolarHBondContact O-N 3.45Å; W318-W320 PolarHBondContact O-N 3.31Å; W318-F902 HydrophobicContact CB-CD2 4.28Å; W318-F902 HydrophobicContact CB-CE2 4.41Å
319Q88.6Confident87.7Confident31 Ų3182.7 Ų82.715%0.14540%0.397CS..THydrogen-bonded Turntrans-78.41.3177.4-73.3-177.7-22.700113.9K315 S321 D325K315-Q319 WeakPolarHBondContact O-CB 3.49Å; K315-Q319 WeakPolarHBondContact O-CG 3.22Å; K315-Q319 PolarHBondContact O-N 2.64Å; Q319-S321 PolarHBondContact O-N 3.41Å; Q319-D325 HydrophobicContact CB-CB 4.36Å; Q319-D325 WeakPolarHBondContact CB-OD1 3.3Å
320W86.6Confident87.1Confident230 Ų23084.9 Ų84.987%0.87141%0.406SS*.THydrogen-bonded Turntrans-60.6-33.3178.5-174.9-88.8000112.6Y316 A317 W318Y316-W320 PolarHBondContact O-N 3.34Å; A317-W320 VanDerWaalsContact O-CB 3.29Å; A317-W320 WeakPolarHBondContact O-CB 3.43Å; A317-W320 PolarHBondContact O-N 3.48Å; W318-W320 PolarHBondContact O-N 3.31Å
321S84.6Confident86.5Confident38 Ų3887.4 Ų87.427%0.26642%0.416SS..SBendtrans-79.8127.3174.255.10000110.9Q319 D323 R324 D325Q319-S321 PolarHBondContact O-N 3.41Å; S321-D323 VanDerWaalsContact C-N 3.26Å; S321-D323 PolarHBondContact O-N 3.39Å; S321-R324 PolarHBondContact O-N 3.14Å; S321-R324 WeakPolarHBondContact OG-CB 3.4Å; S321-R324 VanDerWaalsContact OG-CD 3.23Å; S321-R324 WeakPolarHBondContact OG-CD 3.28Å; S321-R324 WeakPolarHBondContact OG-CG 3.48Å; S321-D325 PolarHBondContact O-N 2.76Å
322P78.8Confident85.8Confident105 Ų10590 Ų9068%0.68243%0.426SS*.Hα-helixtrans-59.4-34.8-175.620.6-30.6000113.2R324 D325 E326P322-R324 PolarHBondContact O-N 2.87Å; P322-D325 PolarHBondContact O-N 3.09Å; P322-E326 PolarHBondContact O-N 2.99Å
323D78.9Confident85.2Confident140 Ų14093.3 Ų93.375%0.74945%0.446SS*.Hα-helixtrans-65.4-21.6177.8-57.5-33.1000113.7S321S321-D323 VanDerWaalsContact C-N 3.26Å; S321-D323 PolarHBondContact O-N 3.39Å
324R79.8Confident84.4Confident127 Ų12794.8 Ų94.848%0.47945%0.447SS..Hα-helixtrans-100-20.3178.4-60.9-175.3-176.8177.1-1113.2S321 P322S321-R324 PolarHBondContact O-N 3.14Å; S321-R324 WeakPolarHBondContact OG-CB 3.4Å; S321-R324 VanDerWaalsContact OG-CD 3.23Å; S321-R324 WeakPolarHBondContact OG-CD 3.28Å; S321-R324 WeakPolarHBondContact OG-CG 3.48Å; P322-R324 PolarHBondContact O-N 2.87Å
325D77.8Confident83.6Confident42 Ų4297.8 Ų97.823%0.22546%0.463CS..Hα-helixtrans-72.4-38.5178.7-164.841.2000111.5Q319 S321 P322 R332 R344Q319-D325 HydrophobicContact CB-CB 4.36Å; Q319-D325 WeakPolarHBondContact CB-OD1 3.3Å; S321-D325 PolarHBondContact O-N 2.76Å; P322-D325 PolarHBondContact O-N 3.09Å; D325-R332 VanDerWaalsContact CG-NH1 3.3Å; D325-R332 VanDerWaalsContact CG-NH2 3.31Å; D325-R332 PolarHBondContact O-NH2 2.66Å; D325-R332 VanDerWaalsContact O-NH2 3.08Å; D325-R332 IonicContact OD1-CZ 3.82Å; D325-R332 IonicContact OD1-NH1 2.63Å; D325-R332 PolarHBondContact OD1-NH1 3.04Å; D325-R332 IonicContact OD1-NH2 3.49Å; D325-R332 PolarHBondContact OD1-NH2 3.22Å; D325-R332 IonicContact OD2-CZ 2.72Å; D325-R332 IonicContact OD2-NH1 3.25Å; D325-R332 PolarHBondContact OD2-NH1 3.16Å; D325-R332 IonicContact OD2-NH2 2.84Å; D325-R344 IonicContact OD1-NH2 3.56Å
326E80.6Confident82.9Confident64 Ų64101.6 Ų101.630%0.29948%0.481SS..SBendtrans-140.384.3174.4-168.7173.6-178.400111P322 H331 R332P322-E326 PolarHBondContact O-N 2.99Å; E326-H331 WeakPolarHBondContact OE1-CA 3.21Å; E326-H331 IonicContact OE1-CG 3.88Å; E326-H331 IonicContact OE1-ND1 2.57Å; E326-H331 PolarHBondContact OE1-ND1 2.66Å; E326-R332 HydrophobicContact CG-CG 4.49Å; E326-R332 PolarHBondContact OE1-N 2.78Å
327P81.8Confident82.2Confident28 Ų28107.9 Ų107.918%0.18251%0.505CS..  trans-65151.1176.4-18.531.5000112.1Y329 N330P327-Y329 HydrophobicContact CB-CD1 3.89Å; P327-Y329 HydrophobicContact CB-CE1 3.41Å; P327-Y329 VanDerWaalsContact CB-CE1 3.41Å; P327-Y329 HydrophobicContact CB-CE2 4.31Å; P327-Y329 HydrophobicContact CG-CE1 4.31Å; P327-Y329 PolarHBondContact O-N 2.65Å; P327-N330 CarbonylContact O-C 3.57Å; P327-N330 PolarHBondContact O-N 2.89Å
328W84.8Confident81.7Confident216 Ų216111.8 Ų111.882%0.81851%0.512SS*.THydrogen-bonded Turntrans-55.7-21.9-176.569.5-93.6000115.7H331W328-H331 PolarHBondContact O-NE2 2.87Å
329Y83.9Confident81.3Confident161 Ų161111.8 Ų111.863%0.63151%0.512SS*.THydrogen-bonded Turntrans-98.7-5.6-177.259.2-95000113.6P327P327-Y329 HydrophobicContact CB-CD1 3.89Å; P327-Y329 HydrophobicContact CB-CE1 3.41Å; P327-Y329 VanDerWaalsContact CB-CE1 3.41Å; P327-Y329 HydrophobicContact CB-CE2 4.31Å; P327-Y329 HydrophobicContact CG-CE1 4.31Å; P327-Y329 PolarHBondContact O-N 2.65Å
330N83.8Confident81.2Confident110 Ų110117.1 Ų117.159%0.58854%0.537SS*.SBendtrans-143.176.8-177.9-170.328.5000111.1P327P327-N330 CarbonylContact O-C 3.57Å; P327-N330 PolarHBondContact O-N 2.89Å
331H81.8Confident81.1Confident132 Ų132110.3 Ų110.361%0.61152%0.52SS*.PPolyproline II helixtrans-69.8142178.2-71.8-64.5000112.3E326 W328E326-H331 WeakPolarHBondContact OE1-CA 3.21Å; E326-H331 IonicContact OE1-CG 3.88Å; E326-H331 IonicContact OE1-ND1 2.57Å; E326-H331 PolarHBondContact OE1-ND1 2.66Å; W328-H331 PolarHBondContact O-NE2 2.87Å
332R81.4Confident81.3Confident54 Ų54114.1 Ų114.120%0.20454%0.542CS..PPolyproline II helixtrans-74.4151.2176.6-75.3-177.8172.6154.92.7111.3D325 E326 E336D325-R332 VanDerWaalsContact CG-NH1 3.3Å; D325-R332 VanDerWaalsContact CG-NH2 3.31Å; D325-R332 PolarHBondContact O-NH2 2.66Å; D325-R332 VanDerWaalsContact O-NH2 3.08Å; D325-R332 IonicContact OD1-CZ 3.82Å; D325-R332 IonicContact OD1-NH1 2.63Å; D325-R332 PolarHBondContact OD1-NH1 3.04Å; D325-R332 IonicContact OD1-NH2 3.49Å; D325-R332 PolarHBondContact OD1-NH2 3.22Å; D325-R332 IonicContact OD2-CZ 2.72Å; D325-R332 IonicContact OD2-NH1 3.25Å; D325-R332 PolarHBondContact OD2-NH1 3.16Å; D325-R332 IonicContact OD2-NH2 2.84Å; E326-R332 HydrophobicContact CG-CG 4.49Å; E326-R332 PolarHBondContact OE1-N 2.78Å; R332-E336 HydrophobicContact CB-CB 4.49Å
333T82.6Confident81.7Confident84 Ų84113.1 Ų113.152%0.51553%0.53SS..PPolyproline II helixtrans-69.6146.9172.1-48.80000109.7N335 E336 R337T333-N335 PolarHBondContact O-N 3Å; T333-N335 VanDerWaalsContact O-N 3.14Å; T333-E336 PolarHBondContact N-OE2 3.1Å; T333-E336 VanDerWaalsContact N-OE2 3.16Å; T333-E336 WeakPolarHBondContact O-CA 2.88Å; T333-E336 WeakPolarHBondContact O-CB 3.42Å; T333-E336 PolarHBondContact O-N 3.35Å; T333-R337 PolarHBondContact O-N 3.36Å; T333-R337 VanDerWaalsContact O-N 3.08Å
334E76.4Confident82.1Confident124 Ų124108.5 Ų108.558%0.57950%0.502SS*.Hα-helixtrans-49.6-42.6179.1-159.698.9-143.500112.3E336 R337 Q338E334-E336 VanDerWaalsContact C-N 3.32Å; E334-E336 PolarHBondContact O-N 3.33Å; E334-R337 PolarHBondContact O-N 2.72Å; E334-Q338 WeakPolarHBondContact O-CG 3.24Å; E334-Q338 PolarHBondContact O-N 2.85Å; E334-Q338 VanDerWaalsContact O-N 3.15Å
335N77.4Confident82.6Confident125 Ų125103.6 Ų103.667%0.66849%0.489SS*.Hα-helixtrans-62.9-33.6177.3-69.9-12.4000113.4T333T333-N335 PolarHBondContact O-N 3Å; T333-N335 VanDerWaalsContact O-N 3.14Å
336E78.2Confident83.3Confident98 Ų98107.6 Ų107.646%0.45850%0.504SS..Hα-helixtrans-78.1-33.2178.3-64.9177.7138.900111.5R332 T333 E334 R339R332-E336 HydrophobicContact CB-CB 4.49Å; T333-E336 PolarHBondContact N-OE2 3.1Å; T333-E336 VanDerWaalsContact N-OE2 3.16Å; T333-E336 WeakPolarHBondContact O-CA 2.88Å; T333-E336 WeakPolarHBondContact O-CB 3.42Å; T333-E336 PolarHBondContact O-N 3.35Å; E334-E336 VanDerWaalsContact C-N 3.32Å; E334-E336 PolarHBondContact O-N 3.33Å; E336-R339 PolarHBondContact O-N 2.99Å
337R78.7Confident83.8Confident178 Ų178105.4 Ų105.467%0.67250%0.495SS*.Hα-helixtrans-69-34.1177.5-158.9175.799.1179.22.4112.4T333 E334 R339T333-R337 PolarHBondContact O-N 3.36Å; T333-R337 VanDerWaalsContact O-N 3.08Å; E334-R337 PolarHBondContact O-N 2.72Å; R337-R339 VanDerWaalsContact C-N 3.32Å
338Q79.1Confident84.3Confident144 Ų144105 Ų10567%0.67349%0.491SS*.THydrogen-bonded Turntrans-79.7-11.1178.8-67.9-179.83.800113.7E334E334-Q338 WeakPolarHBondContact O-CG 3.24Å; E334-Q338 PolarHBondContact O-N 2.85Å; E334-Q338 VanDerWaalsContact O-N 3.15Å
339R82.3Confident84.7Confident117 Ų11796.9 Ų96.944%0.44246%0.462SS..SBendtrans-77.8134-174.9-145.7171179.7179.3-1.3111.1E336 R337 V341 I343E336-R339 PolarHBondContact O-N 2.99Å; R337-R339 VanDerWaalsContact C-N 3.32Å; R339-V341 PolarHBondContact O-N 2.95Å; R339-I343 HydrophobicContact CG-CG2 4.35Å
340H86.6Confident85.2Confident142 Ų14290.6 Ų90.666%0.65744%0.439SS*.  trans-58.8137.5176.9-71.2-60.1000112V342 I343 R344H340-V342 VanDerWaalsContact C-N 3.26Å; H340-V342 PolarHBondContact O-N 3.22Å; H340-I343 HydrophobicContact CB-CB 4.47Å; H340-I343 HydrophobicContact CB-CD1 4.15Å; H340-I343 HydrophobicContact CB-CG1 4.22Å; H340-I343 PolarHBondContact O-N 3Å; H340-R344 PolarHBondContact O-N 3.37Å
341V84.7Confident85.6Confident87 Ų8785.7 Ų85.753%0.52741%0.414SS..Hα-helixtrans-55.2-39-177.3-179.20000112.3Y316 R339 R344 A345Y316-V341 HydrophobicContact CE1-CG1 4Å; R339-V341 PolarHBondContact O-N 2.95Å; V341-R344 PolarHBondContact O-N 3.05Å; V341-A345 WeakPolarHBondContact O-CB 3.44Å; V341-A345 PolarHBondContact O-N 3.09Å
342V87.7Confident86.2Confident119 Ų11979.4 Ų79.472%0.72139%0.385SS*.Hα-helixtrans-65.7-42.7178.2-179.80000111.8H340 R344 A345 F346H340-V342 VanDerWaalsContact C-N 3.26Å; H340-V342 PolarHBondContact O-N 3.22Å; V342-R344 VanDerWaalsContact C-N 3.33Å; V342-A345 PolarHBondContact O-N 2.81Å; V342-F346 WeakPolarHBondContact O-CB 3.27Å; V342-F346 PolarHBondContact O-N 3.1Å
343I88.1Confident86.8Confident83 Ų8377.8 Ų77.843%0.42638%0.38SS..Hα-helixtrans-66.9-39.5177.7-62.7176.6000110R339 H340 F346 T347R339-I343 HydrophobicContact CG-CG2 4.35Å; H340-I343 HydrophobicContact CB-CB 4.47Å; H340-I343 HydrophobicContact CB-CD1 4.15Å; H340-I343 HydrophobicContact CB-CG1 4.22Å; H340-I343 PolarHBondContact O-N 3Å; I343-F346 PolarHBondContact O-N 2.92Å; I343-T347 WeakPolarHBondContact O-CB 3.41Å; I343-T347 PolarHBondContact O-N 3.37Å; I343-T347 PolarHBondContact O-OG1 3.04Å
344R87.6Confident87.2Confident43 Ų4373.8 Ų73.816%0.16236%0.355CS..Hα-helixtrans-63-47175.1-167178.971.5-170.913.1111.3Y316 D325 H340 V341 V342 F346 T347 D348Y316-R344 VanDerWaalsContact OH-C 3.28Å; Y316-R344 WeakPolarHBondContact OH-CG 3.32Å; Y316-R344 PolarHBondContact OH-NE 2.86Å; D325-R344 IonicContact OD1-NH2 3.56Å; H340-R344 PolarHBondContact O-N 3.37Å; V341-R344 PolarHBondContact O-N 3.05Å; V342-R344 VanDerWaalsContact C-N 3.33Å; R344-F346 VanDerWaalsContact C-N 3.31Å; R344-F346 PolarHBondContact O-N 3.46Å; R344-T347 WeakPolarHBondContact O-CB 3.11Å; R344-T347 PolarHBondContact O-N 3.01Å; R344-T347 VanDerWaalsContact O-N 3.15Å; R344-D348 WeakPolarHBondContact O-CB 3.26Å; R344-D348 PolarHBondContact O-N 2.87Å
345A90.4Very high88Confident25 Ų2567.9 Ų67.921%0.20733%0.328CS..Hα-helixtrans-62.2-39.5178.100000112.2Y316 V341 V342 D348 F349Y316-A345 HydrophobicContact CD2-CB 4.29Å; Y316-A345 HydrophobicContact CE1-CB 4.22Å; Y316-A345 HydrophobicContact CE2-CB 3.58Å; Y316-A345 WeakPolarHBondContact OH-CA 3.35Å; Y316-A345 PolarHBondContact OH-N 3.39Å; V341-A345 WeakPolarHBondContact O-CB 3.44Å; V341-A345 PolarHBondContact O-N 3.09Å; V342-A345 PolarHBondContact O-N 2.81Å; A345-D348 PolarHBondContact O-N 3.13Å; A345-F349 WeakPolarHBondContact O-CB 3.29Å; A345-F349 PolarHBondContact O-N 2.77Å
346F92.1Very high88.8Confident126 Ų12661.9 Ų61.955%0.55330%0.296SS*.Hα-helixtrans-66.8-40.5174.3-175-107.2000112.4V342 I343 R344 F349 L350V342-F346 WeakPolarHBondContact O-CB 3.27Å; V342-F346 PolarHBondContact O-N 3.1Å; I343-F346 PolarHBondContact O-N 2.92Å; R344-F346 VanDerWaalsContact C-N 3.31Å; R344-F346 PolarHBondContact O-N 3.46Å; F346-F349 PolarHBondContact O-N 2.86Å; F346-L350 HydrophobicContact CD1-CD1 3.97Å; F346-L350 HydrophobicContact CE1-CD1 3.45Å; F346-L350 VanDerWaalsContact CE1-CD1 3.45Å; F346-L350 HydrophobicContact CE1-CG 4.22Å; F346-L350 HydrophobicContact CZ-CD1 3.82Å; F346-L350 HydrophobicContact CZ-CD2 4.45Å; F346-L350 HydrophobicContact CZ-CG 4.25Å; F346-L350 WeakPolarHBondContact O-CG 3.47Å; F346-L350 PolarHBondContact O-N 2.87Å
347T91.1Very high89.4Confident18 Ų1857.4 Ų57.411%0.1128%0.275CS..Hα-helixtrans-64.4-42.9175.7-54.80000111I87 I343 R344 L350 A351I87-T347 HydrophobicContact CG2-CG2 3.5Å; I87-T347 VanDerWaalsContact CG2-CG2 3.5Å; I343-T347 WeakPolarHBondContact O-CB 3.41Å; I343-T347 PolarHBondContact O-N 3.37Å; I343-T347 PolarHBondContact O-OG1 3.04Å; R344-T347 WeakPolarHBondContact O-CB 3.11Å; R344-T347 PolarHBondContact O-N 3.01Å; R344-T347 VanDerWaalsContact O-N 3.15Å; T347-L350 PolarHBondContact O-N 3Å; T347-A351 WeakPolarHBondContact O-CB 3.49Å; T347-A351 PolarHBondContact O-N 3.27Å
348D91.8Very high89.9Confident18 Ų1849.2 Ų49.210%0.09624%0.244CC..Hα-helixtrans-62-42.7175.1-77.4-41.3000112.3K315 Y316 R344 A345 A351 F352 Q904K315-D348 HydrophobicContact CD-CB 4.47Å; K315-D348 IonicContact NZ-OD1 3.2Å; K315-D348 PolarHBondContact NZ-OD1 3.15Å; K315-D348 IonicContact NZ-OD2 3.33Å; K315-D348 PolarHBondContact NZ-OD2 3.11Å; Y316-D348 HydrophobicContact CE2-CB 4.41Å; Y316-D348 PolarHBondContact OH-OD2 3.04Å; R344-D348 WeakPolarHBondContact O-CB 3.26Å; R344-D348 PolarHBondContact O-N 2.87Å; A345-D348 PolarHBondContact O-N 3.13Å; D348-A351 PolarHBondContact O-N 3.33Å; D348-F352 WeakPolarHBondContact O-CD2 3.45Å; D348-F352 PolarHBondContact O-N 3.42Å; D348-Q904 PolarHBondContact OD1-NE2 3.4Å
349F94.3Very high90.5Very high47 Ų4742.4 Ų42.421%0.20621%0.212CC..Hα-helixtrans-59.8-47174.5168.8-100.8000111.5A308 V309 T312 A345 F346 A351 F352 M353A308-F349 HydrophobicContact CB-CD2 3.92Å; A308-F349 HydrophobicContact CB-CE2 3.68Å; V309-F349 HydrophobicContact CG2-CD2 4.27Å; V309-F349 HydrophobicContact CG2-CE2 3.71Å; T312-F349 HydrophobicContact CG2-CB 4.29Å; T312-F349 WeakPolarHBondContact OG1-CA 3.43Å; A345-F349 WeakPolarHBondContact O-CB 3.29Å; A345-F349 PolarHBondContact O-N 2.77Å; F346-F349 PolarHBondContact O-N 2.86Å; F349-A351 VanDerWaalsContact C-N 3.32Å; F349-A351 PolarHBondContact O-N 3.17Å; F349-F352 PolarHBondContact O-N 3.33Å; F349-M353 HydrophobicContact CD1-CG 4.47Å; F349-M353 HydrophobicContact CE1-CG 3.98Å; F349-M353 HydrophobicContact CE2-CG 4.16Å; F349-M353 HydrophobicContact CE2-SD 4.39Å; F349-M353 HydrophobicContact CZ-CG 3.81Å; F349-M353 HydrophobicContact CZ-SD 4.06Å; F349-M353 WeakPolarHBondContact O-CG 3.37Å; F349-M353 PolarHBondContact O-N 2.8Å
350L93.4Very high90.8Very high29 Ų2936.9 Ų36.915%0.15219%0.191CC..Hα-helixtrans-64.4-36.5176-69.2179.7000112.1V83 I87 F346 T347 M353 V354V83-L350 HydrophobicContact CG1-CB 4.18Å; I87-L350 HydrophobicContact CD1-CB 3.98Å; I87-L350 HydrophobicContact CD1-CD1 3.33Å; I87-L350 HydrophobicContact CD1-CG 4.31Å; F346-L350 HydrophobicContact CD1-CD1 3.97Å; F346-L350 HydrophobicContact CE1-CD1 3.45Å; F346-L350 VanDerWaalsContact CE1-CD1 3.45Å; F346-L350 HydrophobicContact CE1-CG 4.22Å; F346-L350 HydrophobicContact CZ-CD1 3.82Å; F346-L350 HydrophobicContact CZ-CD2 4.45Å; F346-L350 HydrophobicContact CZ-CG 4.25Å; F346-L350 WeakPolarHBondContact O-CG 3.47Å; F346-L350 PolarHBondContact O-N 2.87Å; T347-L350 PolarHBondContact O-N 3Å; L350-M353 WeakPolarHBondContact O-CB 3.31Å; L350-M353 PolarHBondContact O-N 3.15Å; L350-V354 WeakPolarHBondContact O-CG2 3.48Å; L350-V354 PolarHBondContact O-N 3.36Å
351A92.3Very high90.7Very high6 Ų630.1 Ų30.15%0.0516%0.16CC..Hα-helixtrans-64.5-40.5174.200000112.2T347 D348 F349 V354 L355 Q904T347-A351 WeakPolarHBondContact O-CB 3.49Å; T347-A351 PolarHBondContact O-N 3.27Å; D348-A351 PolarHBondContact O-N 3.33Å; F349-A351 VanDerWaalsContact C-N 3.32Å; F349-A351 PolarHBondContact O-N 3.17Å; A351-V354 PolarHBondContact O-N 2.91Å; A351-L355 WeakPolarHBondContact O-CB 3.42Å; A351-L355 PolarHBondContact O-N 2.62Å; A351-Q904 HydrophobicContact CB-CG 4.43Å
352F94.4Very high90.6Very high0 Ų026.7 Ų26.70%014%0.139CC..Hα-helixtrans-66.7-37.5172.7-77.3-60.8000112.8A308 N311 T312 K315 D348 F349 V354 L355 F356 Q897 F902 Q904A308-F352 HydrophobicContact CB-CB 3.91Å; N311-F352 HydrophobicContact CB-CD1 3.98Å; N311-F352 HydrophobicContact CB-CD2 4.2Å; N311-F352 HydrophobicContact CB-CE1 3.78Å; N311-F352 HydrophobicContact CB-CE2 4.02Å; N311-F352 HydrophobicContact CB-CG 4.19Å; N311-F352 HydrophobicContact CB-CZ 3.82Å; T312-F352 WeakPolarHBondContact OG1-CD2 3.5Å; K315-F352 HydrophobicContact CD-CE2 4.23Å; D348-F352 WeakPolarHBondContact O-CD2 3.45Å; D348-F352 PolarHBondContact O-N 3.42Å; F349-F352 PolarHBondContact O-N 3.33Å; F352-V354 VanDerWaalsContact C-N 3.29Å; F352-V354 PolarHBondContact O-N 2.9Å; F352-L355 HydrophobicContact CD1-CD2 4.28Å; F352-L355 PolarHBondContact O-N 2.9Å; F352-F356 HydrophobicContact CB-CE2 4.32Å; F352-F356 AromaticContact CD1-CE2 3.98Å; F352-F356 HydrophobicContact CD1-CE2 3.98Å; F352-F356 HydrophobicContact CD1-CZ 4.21Å; F352-F356 VanDerWaalsContact O-CD2 3.26Å; F352-F356 WeakPolarHBondContact O-CD2 3.49Å; F352-F356 PolarHBondContact O-N 2.86Å; F352-Q897 HydrophobicContact CE1-CG 4.18Å; F352-F902 HydrophobicContact CZ-CB 4.09Å; F352-F902 WeakPolarHBondContact CZ-O 3.27Å; F352-Q904 HydrophobicContact CD1-CG 3.82Å; F352-Q904 HydrophobicContact CD2-CG 4.31Å; F352-Q904 HydrophobicContact CE1-CB 4.39Å; F352-Q904 HydrophobicContact CE1-CG 3.49Å; F352-Q904 VanDerWaalsContact CE1-CG 3.49Å; F352-Q904 HydrophobicContact CE2-CG 4.01Å; F352-Q904 HydrophobicContact CG-CG 4.21Å; F352-Q904 HydrophobicContact CZ-CG 3.58Å
353M93.1Very high90.5Very high20 Ų2021.3 Ų21.310%0.09911%0.107CC..Hα-helixtrans-58.8-43.4172.8-76-69.1-64.300111.2L304 I305 A308 F349 L350 N357L304-M353 HydrophobicContact CD1-SD 4.42Å; L304-M353 HydrophobicContact CD2-CE 3.65Å; L304-M353 HydrophobicContact CD2-SD 4.3Å; L304-M353 HydrophobicContact CG-CE 3.86Å; L304-M353 HydrophobicContact CG-SD 3.86Å; I305-M353 HydrophobicContact CG1-CE 4.04Å; I305-M353 HydrophobicContact CG1-SD 4.07Å; A308-M353 HydrophobicContact CB-CG 3.83Å; A308-M353 HydrophobicContact CB-SD 3.71Å; F349-M353 HydrophobicContact CD1-CG 4.47Å; F349-M353 HydrophobicContact CE1-CG 3.98Å; F349-M353 HydrophobicContact CE2-CG 4.16Å; F349-M353 HydrophobicContact CE2-SD 4.39Å; F349-M353 HydrophobicContact CZ-CG 3.81Å; F349-M353 HydrophobicContact CZ-SD 4.06Å; F349-M353 WeakPolarHBondContact O-CG 3.37Å; F349-M353 PolarHBondContact O-N 2.8Å; L350-M353 WeakPolarHBondContact O-CB 3.31Å; L350-M353 PolarHBondContact O-N 3.15Å; M353-N357 PolarHBondContact O-N 3.04Å; M353-N357 VanDerWaalsContact O-N 3.12Å
354V92.7Very high90.5Very high0 Ų017.4 Ų17.40%09%0.087CC..Hα-helixtrans-65.4-46.2175.4168.40000111.3I80 V83 Q84 T89 T91 L350 A351 F352 F356 N357I80-V354 HydrophobicContact CG2-CG2 4.45Å; V83-V354 HydrophobicContact CG1-CG2 3.91Å; Q84-V354 HydrophobicContact CG-CB 4.46Å; Q84-V354 HydrophobicContact CG-CG1 3.63Å; Q84-V354 HydrophobicContact CG-CG2 3.93Å; T89-V354 HydrophobicContact CG2-CB 4.27Å; T89-V354 HydrophobicContact CG2-CG1 4.25Å; T89-V354 HydrophobicContact CG2-CG2 4.02Å; T91-V354 WeakPolarHBondContact OG1-CG1 3.28Å; L350-V354 WeakPolarHBondContact O-CG2 3.48Å; L350-V354 PolarHBondContact O-N 3.36Å; A351-V354 PolarHBondContact O-N 2.91Å; F352-V354 VanDerWaalsContact C-N 3.29Å; F352-V354 PolarHBondContact O-N 2.9Å; V354-F356 PolarHBondContact O-N 3.3Å; V354-N357 WeakPolarHBondContact O-CB 3.24Å; V354-N357 PolarHBondContact O-N 2.79Å; V354-N357 PolarHBondContact O-ND2 2.64Å; V354-N357 PolarHBondContact O-OD1 2.7Å
355L92.3Very high90.3Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-58.7-36.9-179.1-170.369.5000112.3P90 T91 A351 F352 Q893 Q897 Q904 P906P90-L355 HydrophobicContact CB-CD1 4.49Å; P90-L355 HydrophobicContact CG-CB 4.45Å; P90-L355 HydrophobicContact CG-CD1 3.98Å; T91-L355 HydrophobicContact CG2-CD1 4.48Å; A351-L355 WeakPolarHBondContact O-CB 3.42Å; A351-L355 PolarHBondContact O-N 2.62Å; F352-L355 HydrophobicContact CD1-CD2 4.28Å; F352-L355 PolarHBondContact O-N 2.9Å; L355-Q893 HydrophobicContact CG-CG 4.44Å; L355-Q893 VanDerWaalsContact CG-NE2 3.33Å; L355-Q893 PolarHBondContact O-NE2 3.3Å; L355-Q897 HydrophobicContact CD2-CG 4.33Å; L355-Q904 HydrophobicContact CD2-CB 4.41Å; L355-P906 HydrophobicContact CD1-CB 4.14Å
356F93.3Very high90.1Very high0 Ų015.1 Ų15.10%07%0.074CC..THydrogen-bonded Turntrans-98.15.8-178.2-57.8-38.4000114.6L304 K307 N311 F352 V354 Y358 I359 I890 Q893 F894 Q897L304-F356 HydrophobicContact CD1-CB 3.42Å; L304-F356 VanDerWaalsContact CD1-CB 3.42Å; L304-F356 WeakPolarHBondContact CD1-O 3.42Å; K307-F356 HydrophobicContact CB-CD2 3.99Å; K307-F356 HydrophobicContact CB-CE2 4.25Å; N311-F356 VanDerWaalsContact ND2-CE2 3.25Å; N311-F356 WeakPolarHBondContact ND2-CE2 3.46Å; N311-F356 WeakPolarHBondContact ND2-CZ 3.37Å; F352-F356 HydrophobicContact CB-CE2 4.32Å; F352-F356 AromaticContact CD1-CE2 3.98Å; F352-F356 HydrophobicContact CD1-CE2 3.98Å; F352-F356 HydrophobicContact CD1-CZ 4.21Å; F352-F356 VanDerWaalsContact O-CD2 3.26Å; F352-F356 WeakPolarHBondContact O-CD2 3.49Å; F352-F356 PolarHBondContact O-N 2.86Å; V354-F356 PolarHBondContact O-N 3.3Å; F356-Y358 PolarHBondContact O-N 3.28Å; F356-I359 WeakPolarHBondContact O-CB 3.39Å; F356-I359 VanDerWaalsContact O-CG2 3.32Å; F356-I359 WeakPolarHBondContact O-CG2 3.35Å; F356-I359 PolarHBondContact O-N 3.21Å; F356-I359 VanDerWaalsContact O-N 3.09Å; F356-I890 HydrophobicContact CB-CG1 4.3Å; F356-I890 HydrophobicContact CD1-CD1 4.14Å; F356-I890 HydrophobicContact CD1-CG1 4.07Å; F356-Q893 HydrophobicContact CE1-CG 4.37Å; F356-F894 HydrophobicContact CE1-CB 3.99Å; F356-F894 HydrophobicContact CE2-CD2 4.16Å; F356-F894 HydrophobicContact CZ-CB 4.14Å; F356-F894 HydrophobicContact CZ-CD2 4.01Å; F356-Q897 HydrophobicContact CE1-CG 4.31Å; F356-Q897 HydrophobicContact CZ-CG 3.81Å
357N90.9Very high90Very high4 Ų49.6 Ų9.62%0.0215%0.051CC..G310 helixtrans-58.2-27.9-173.672.63000113.5I80 S96 M353 V354 I359 I360I80-N357 HydrophobicContact CG2-CB 4.02Å; I80-N357 VanDerWaalsContact CG2-ND2 3.25Å; I80-N357 WeakPolarHBondContact CG2-ND2 3.41Å; S96-N357 PolarHBondContact OG-ND2 3.19Å; M353-N357 PolarHBondContact O-N 3.04Å; M353-N357 VanDerWaalsContact O-N 3.12Å; V354-N357 WeakPolarHBondContact O-CB 3.24Å; V354-N357 PolarHBondContact O-N 2.79Å; V354-N357 PolarHBondContact O-ND2 2.64Å; V354-N357 PolarHBondContact O-OD1 2.7Å; N357-I359 PolarHBondContact O-N 3.25Å; N357-I359 VanDerWaalsContact O-N 3.13Å; N357-I360 PolarHBondContact O-N 3.13Å; N357-I360 VanDerWaalsContact O-N 3.17Å
358Y89.6Confident90Very high6 Ų69.3 Ų9.32%0.0245%0.049CC..G310 helixtrans-68.4-7-178.8-59.5-76.6000113.8T95 F356 I360 N886 F889 L913T95-Y358 WeakPolarHBondContact CB-OH 3.49Å; T95-Y358 PolarHBondContact O-OH 3.21Å; T95-Y358 PolarHBondContact OG1-OH 3.02Å; T95-Y358 VanDerWaalsContact OG1-OH 3.1Å; F356-Y358 PolarHBondContact O-N 3.28Å; Y358-I360 PolarHBondContact O-N 3.03Å; Y358-N886 PolarHBondContact O-OD1 3.48Å; Y358-F889 HydrophobicContact CD1-CE1 4.37Å; Y358-F889 AromaticContact CG-CE1 3.97Å; Y358-F889 HydrophobicContact CG-CE1 3.97Å; Y358-L913 HydrophobicContact CD2-CD2 4.37Å; Y358-L913 HydrophobicContact CE2-CB 4.28Å; Y358-L913 HydrophobicContact CE2-CD1 4.26Å; Y358-L913 HydrophobicContact CE2-CD2 4.24Å; Y358-L913 HydrophobicContact CE2-CG 4.5Å
359I91.4Very high89.7Confident1 Ų19.1 Ų9.11%0.0055%0.047CC..G310 helixtrans-62.6-30.9169.6-159.9176.5000111.9Y300 I303 L304 K307 F356 N357 I890Y300-I359 HydrophobicContact CD1-CD1 3.83Å; Y300-I359 HydrophobicContact CD1-CG1 3.72Å; Y300-I359 HydrophobicContact CE1-CD1 4.2Å; Y300-I359 HydrophobicContact CE1-CG1 4.02Å; I303-I359 HydrophobicContact CB-CD1 4.48Å; I303-I359 HydrophobicContact CG2-CD1 3.72Å; L304-I359 HydrophobicContact CB-CG2 3.94Å; L304-I359 HydrophobicContact CD1-CG2 4.01Å; L304-I359 HydrophobicContact CD2-CG2 4.48Å; L304-I359 HydrophobicContact CG-CG2 4.36Å; K307-I359 HydrophobicContact CD-CD1 4.45Å; F356-I359 WeakPolarHBondContact O-CB 3.39Å; F356-I359 VanDerWaalsContact O-CG2 3.32Å; F356-I359 WeakPolarHBondContact O-CG2 3.35Å; F356-I359 PolarHBondContact O-N 3.21Å; F356-I359 VanDerWaalsContact O-N 3.09Å; N357-I359 PolarHBondContact O-N 3.25Å; N357-I359 VanDerWaalsContact O-N 3.13Å; I359-I890 HydrophobicContact CB-CG2 3.57Å; I359-I890 HydrophobicContact CD1-CG2 4.14Å; I359-I890 HydrophobicContact CG1-CG2 3.6Å
360I89.4Confident89.4Confident1 Ų18.9 Ų8.91%0.0055%0.047CC..SBendtrans-91.2119.9173.5-58.6-178.6000107.5Y76 F77 L297 L301 L304 N357 Y358 V362Y76-I360 HydrophobicContact CD1-CD1 4.12Å; Y76-I360 HydrophobicContact CE1-CB 4.1Å; Y76-I360 HydrophobicContact CE1-CD1 3.7Å; Y76-I360 HydrophobicContact CE1-CG1 4.35Å; Y76-I360 HydrophobicContact CE1-CG2 4.41Å; Y76-I360 HydrophobicContact CE2-CD1 4.26Å; F77-I360 HydrophobicContact CE1-CB 4.47Å; F77-I360 HydrophobicContact CE1-CG2 4.5Å; F77-I360 HydrophobicContact CE2-CG2 4.27Å; F77-I360 HydrophobicContact CZ-CB 4.06Å; F77-I360 HydrophobicContact CZ-CG2 3.68Å; F77-I360 WeakPolarHBondContact CZ-O 3.18Å; L297-I360 HydrophobicContact CD1-CG2 3.67Å; L297-I360 HydrophobicContact CG-CG2 4.25Å; L301-I360 HydrophobicContact CB-CD1 4.41Å; L301-I360 HydrophobicContact CD1-CD1 4.33Å; L304-I360 HydrophobicContact CD2-CD1 4.43Å; N357-I360 PolarHBondContact O-N 3.13Å; N357-I360 VanDerWaalsContact O-N 3.17Å; Y358-I360 PolarHBondContact O-N 3.03Å; I360-V362 PolarHBondContact O-N 3.5Å; I360-V362 VanDerWaalsContact O-N 3.11Å
361P83.3Confident89.4Confident0 Ų07.6 Ų7.60%04%0.041CC..  trans-77102.7-172.929.8-35.2000112.1S363 M364 F882 F883 N886P361-S363 VanDerWaalsContact C-N 3.28Å; P361-S363 PolarHBondContact O-N 3.16Å; P361-M364 HydrophobicContact CB-CB 3.8Å; P361-M364 HydrophobicContact CG-CB 3.66Å; P361-M364 HydrophobicContact CG-CE 4.08Å; P361-M364 HydrophobicContact CG-CG 4.31Å; P361-M364 HydrophobicContact CG-SD 3.82Å; P361-M364 WeakPolarHBondContact O-CB 3.44Å; P361-M364 PolarHBondContact O-N 3.49Å; P361-F882 HydrophobicContact CB-CD1 4.03Å; P361-F883 HydrophobicContact CG-CD1 4.27Å; P361-F883 HydrophobicContact CG-CE1 4.1Å; P361-N886 WeakPolarHBondContact CB-ND2 3.24Å
362V83.4Confident89.4Confident14 Ų147.9 Ų7.99%0.0854%0.041CC..Hα-helixtrans-54.4-45.2176.5-174.60000111.5F77 P99 V103 I360 M364F77-V362 HydrophobicContact CD1-CG2 3.58Å; F77-V362 HydrophobicContact CD2-CB 4.44Å; F77-V362 HydrophobicContact CD2-CG1 4.17Å; F77-V362 HydrophobicContact CD2-CG2 4.16Å; F77-V362 HydrophobicContact CE1-CB 4.21Å; F77-V362 HydrophobicContact CE1-CG2 3.15Å; F77-V362 HydrophobicContact CE2-CB 4Å; F77-V362 HydrophobicContact CE2-CG1 4.18Å; F77-V362 HydrophobicContact CE2-CG2 3.81Å; F77-V362 HydrophobicContact CG-CG1 4.48Å; F77-V362 HydrophobicContact CG-CG2 4.07Å; F77-V362 HydrophobicContact CZ-CB 3.86Å; F77-V362 HydrophobicContact CZ-CG1 4.47Å; F77-V362 HydrophobicContact CZ-CG2 3.28Å; P99-V362 HydrophobicContact CB-CB 4.37Å; P99-V362 HydrophobicContact CB-CG1 3.97Å; V103-V362 HydrophobicContact CG2-CG1 4.09Å; I360-V362 PolarHBondContact O-N 3.5Å; I360-V362 VanDerWaalsContact O-N 3.11Å; V362-M364 VanDerWaalsContact C-N 3.31Å; V362-M364 PolarHBondContact O-N 3.14Å
363S85.9Confident89.1Confident7 Ų79.5 Ų9.55%0.0495%0.048CC..Hα-helixtrans-78.6-8.9-174.652.50000114.5P361 Y365 V366 T367 N917P361-S363 VanDerWaalsContact C-N 3.28Å; P361-S363 PolarHBondContact O-N 3.16Å; S363-Y365 PolarHBondContact O-N 3.36Å; S363-V366 VanDerWaalsContact O-CG1 3.23Å; S363-V366 WeakPolarHBondContact O-CG1 3.43Å; S363-V366 PolarHBondContact O-N 2.7Å; S363-T367 WeakPolarHBondContact O-CB 3.21Å; S363-T367 PolarHBondContact O-N 2.77Å; S363-T367 PolarHBondContact O-OG1 3.11Å; S363-N917 WeakPolarHBondContact CB-O 3.46Å; S363-N917 PolarHBondContact OG-O 3.04Å
364M88Confident89Confident0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-59.3-46.6-178.3177.5-174.464.900111.8M293 P361 V362 V366 T367 V368 F882 F883M293-M364 HydrophobicContact CG-CE 3.52Å; M293-M364 HydrophobicContact CG-SD 4Å; M293-M364 HydrophobicContact SD-CE 3.41Å; M293-M364 WeakPolarHBondContact SD-CE 3.5Å; M293-M364 HydrophobicContact SD-CG 4.28Å; M293-M364 HydrophobicContact SD-SD 3.83Å; P361-M364 HydrophobicContact CB-CB 3.8Å; P361-M364 HydrophobicContact CG-CB 3.66Å; P361-M364 HydrophobicContact CG-CE 4.08Å; P361-M364 HydrophobicContact CG-CG 4.31Å; P361-M364 HydrophobicContact CG-SD 3.82Å; P361-M364 WeakPolarHBondContact O-CB 3.44Å; P361-M364 PolarHBondContact O-N 3.49Å; V362-M364 VanDerWaalsContact C-N 3.31Å; V362-M364 PolarHBondContact O-N 3.14Å; M364-V366 PolarHBondContact O-N 2.82Å; M364-T367 PolarHBondContact O-N 3.05Å; M364-V368 HydrophobicContact CG-CG2 4.35Å; M364-V368 WeakPolarHBondContact O-CB 3.3Å; M364-V368 VanDerWaalsContact O-CG2 3.29Å; M364-V368 WeakPolarHBondContact O-CG2 3.07Å; M364-V368 PolarHBondContact O-N 3.36Å; M364-F882 HydrophobicContact CB-CB 4.41Å; M364-F882 HydrophobicContact CB-CD1 3.86Å; M364-F882 HydrophobicContact CB-CE1 4.32Å; M364-F882 HydrophobicContact CB-CG 4.12Å; M364-F882 HydrophobicContact CG-CB 4.17Å; M364-F882 HydrophobicContact CG-CD1 4.42Å; M364-F882 HydrophobicContact CG-CG 4.18Å; M364-F882 HydrophobicContact SD-CB 4.43Å; M364-F883 HydrophobicContact CE-CZ 4.06Å; M364-F883 HydrophobicContact SD-CD2 4.5Å; M364-F883 HydrophobicContact SD-CE2 3.85Å; M364-F883 HydrophobicContact SD-CZ 3.89Å
365Y83.8Confident88.9Confident12 Ų1211.7 Ų11.75%0.0476%0.059CC..Hα-helixtrans-63.5-44.6-177.1-76.7-90.5000112.2A73 M293 N294 L297 S363 T367 V368 E369A73-Y365 HydrophobicContact CB-CD2 3.84Å; A73-Y365 HydrophobicContact CB-CE2 3.19Å; M293-Y365 HydrophobicContact CE-CD1 3.69Å; M293-Y365 HydrophobicContact CE-CE1 3.14Å; M293-Y365 HydrophobicContact SD-CE1 4.23Å; N294-Y365 PolarHBondContact OD1-OH 3.08Å; L297-Y365 HydrophobicContact CD1-CE2 3.98Å; S363-Y365 PolarHBondContact O-N 3.36Å; Y365-T367 VanDerWaalsContact C-N 3.34Å; Y365-T367 PolarHBondContact O-N 2.86Å; Y365-V368 PolarHBondContact O-N 2.98Å; Y365-E369 WeakPolarHBondContact O-CB 3.37Å; Y365-E369 WeakPolarHBondContact O-CG 3.47Å; Y365-E369 PolarHBondContact O-N 3.22Å
366V86.1Confident88.9Confident9 Ų912.1 Ų12.16%0.0556%0.063CC..Hα-helixtrans-67.5-36.9178.371.70000111.6V103 V106 S363 M364 E369 M370V103-V366 HydrophobicContact CB-CB 4.45Å; V103-V366 HydrophobicContact CG1-CB 4.15Å; V103-V366 HydrophobicContact CG2-CB 4.04Å; V103-V366 HydrophobicContact CG2-CG1 3.75Å; V106-V366 HydrophobicContact CB-CG2 3.88Å; V106-V366 HydrophobicContact CG1-CG2 3.57Å; S363-V366 VanDerWaalsContact O-CG1 3.23Å; S363-V366 WeakPolarHBondContact O-CG1 3.43Å; S363-V366 PolarHBondContact O-N 2.7Å; M364-V366 PolarHBondContact O-N 2.82Å; V366-E369 PolarHBondContact O-N 3.04Å; V366-M370 WeakPolarHBondContact O-CB 3.39Å; V366-M370 PolarHBondContact O-N 3.28Å
367T89.8Confident88.8Confident10 Ų1015.6 Ų15.66%0.0618%0.076CC..Hα-helixtrans-68.5-41.9178.4-55.90000111S363 M364 Y365 M370 Q371 L878 F882 L926S363-T367 WeakPolarHBondContact O-CB 3.21Å; S363-T367 PolarHBondContact O-N 2.77Å; S363-T367 PolarHBondContact O-OG1 3.11Å; M364-T367 PolarHBondContact O-N 3.05Å; Y365-T367 VanDerWaalsContact C-N 3.34Å; Y365-T367 PolarHBondContact O-N 2.86Å; T367-M370 PolarHBondContact O-N 3.07Å; T367-Q371 VanDerWaalsContact O-CB 3.23Å; T367-Q371 WeakPolarHBondContact O-CB 3.47Å; T367-Q371 PolarHBondContact O-N 2.93Å; T367-L878 HydrophobicContact CG2-CD1 4.14Å; T367-F882 HydrophobicContact CG2-CE2 3.75Å; T367-F882 HydrophobicContact CG2-CZ 3.85Å; T367-F882 WeakPolarHBondContact OG1-CZ 3.42Å; T367-L926 HydrophobicContact CG2-CB 3.87Å; T367-L926 HydrophobicContact CG2-CD1 3.9Å; T367-L926 HydrophobicContact CG2-CG 4.39Å
368V90.1Very high89Confident11 Ų1119.1 Ų19.17%0.0679%0.091CC..Hα-helixtrans-60.1-46.6172.6168.50000111M364 Y365 Q371 K372 I875 L878 V879M364-V368 HydrophobicContact CG-CG2 4.35Å; M364-V368 WeakPolarHBondContact O-CB 3.3Å; M364-V368 VanDerWaalsContact O-CG2 3.29Å; M364-V368 WeakPolarHBondContact O-CG2 3.07Å; M364-V368 PolarHBondContact O-N 3.36Å; Y365-V368 PolarHBondContact O-N 2.98Å; V368-Q371 WeakPolarHBondContact O-CB 3.42Å; V368-Q371 PolarHBondContact O-N 3.36Å; V368-K372 HydrophobicContact CG1-CD 4.11Å; V368-K372 VanDerWaalsContact O-CG 3.31Å; V368-K372 WeakPolarHBondContact O-CG 3.12Å; V368-K372 PolarHBondContact O-N 2.99Å; V368-I875 HydrophobicContact CG1-CD1 3.85Å; V368-I875 HydrophobicContact CG1-CG1 4.46Å; V368-L878 HydrophobicContact CG2-CD2 3.47Å; V368-L878 VanDerWaalsContact CG2-CD2 3.47Å; V368-V879 HydrophobicContact CG2-CG2 4.33Å
369E86.6Confident89.2Confident15 Ų1518.9 Ų18.97%0.079%0.091CC..Hα-helixtrans-65.4-41.3179.4-75.7-171.8161.400113R71 T107 Y365 V366 Q371 K372 F373R71-E369 IonicContact CZ-OE1 3.89Å; R71-E369 IonicContact NH1-OE1 2.64Å; R71-E369 PolarHBondContact NH1-OE1 3.19Å; R71-E369 IonicContact NH1-OE2 2.62Å; R71-E369 IonicContact NH2-OE1 2.7Å; R71-E369 PolarHBondContact NH2-OE1 3.11Å; T107-E369 WeakPolarHBondContact CG2-OE2 3.43Å; T107-E369 PolarHBondContact OG1-OE2 3.2Å; Y365-E369 WeakPolarHBondContact O-CB 3.37Å; Y365-E369 WeakPolarHBondContact O-CG 3.47Å; Y365-E369 PolarHBondContact O-N 3.22Å; V366-E369 PolarHBondContact O-N 3.04Å; E369-Q371 VanDerWaalsContact C-N 3.33Å; E369-K372 PolarHBondContact O-N 3.21Å; E369-F373 VanDerWaalsContact O-CB 3.3Å; E369-F373 WeakPolarHBondContact O-CB 2.81Å; E369-F373 PolarHBondContact O-N 3.08Å
370M88.6Confident89.2Confident42 Ų4221.7 Ų21.721%0.20711%0.108CC..Hα-helixtrans-64.6-39.6174-87.8-52.711000112.1V106 K110 V366 T367 K372 F373 L374 L926V106-M370 HydrophobicContact CG1-CE 4.06Å; K110-M370 HydrophobicContact CB-CE 4.16Å; K110-M370 HydrophobicContact CG-CE 4.19Å; V366-M370 WeakPolarHBondContact O-CB 3.39Å; V366-M370 PolarHBondContact O-N 3.28Å; T367-M370 PolarHBondContact O-N 3.07Å; M370-K372 VanDerWaalsContact C-N 3.34Å; M370-K372 PolarHBondContact O-N 3.17Å; M370-F373 HydrophobicContact CE-CD1 4.34Å; M370-F373 PolarHBondContact O-N 3.29Å; M370-F373 HydrophobicContact SD-CD1 4.25Å; M370-L374 VanDerWaalsContact O-CB 3.28Å; M370-L374 WeakPolarHBondContact O-CB 3.41Å; M370-L374 VanDerWaalsContact O-CG 3.29Å; M370-L374 WeakPolarHBondContact O-CG 3.42Å; M370-L374 PolarHBondContact O-N 3.28Å; M370-L926 HydrophobicContact CB-CD1 4.2Å
371Q92.6Very high89.4Confident2 Ų229.8 Ų29.81%0.00914%0.139CC..Hα-helixtrans-60.7-45.2176.3-174.4-77.8-28.200111.2T367 V368 E369 G375 L878 L926 S929 L930T367-Q371 VanDerWaalsContact O-CB 3.23Å; T367-Q371 WeakPolarHBondContact O-CB 3.47Å; T367-Q371 PolarHBondContact O-N 2.93Å; V368-Q371 WeakPolarHBondContact O-CB 3.42Å; V368-Q371 PolarHBondContact O-N 3.36Å; E369-Q371 VanDerWaalsContact C-N 3.33Å; Q371-G375 WeakPolarHBondContact O-CA 3.47Å; Q371-G375 PolarHBondContact O-N 3.13Å; Q371-L878 HydrophobicContact CB-CD1 4.35Å; Q371-L878 HydrophobicContact CG-CD1 4.27Å; Q371-L926 HydrophobicContact CB-CD1 4Å; Q371-S929 WeakPolarHBondContact CG-OG 3.41Å; Q371-S929 PolarHBondContact NE2-O 3.32Å; Q371-S929 VanDerWaalsContact NE2-O 3.13Å; Q371-L930 HydrophobicContact CG-CD2 4.22Å; Q371-L930 HydrophobicContact CG-CG 4.46Å; Q371-L930 WeakPolarHBondContact O-CD2 3.32Å
372K91.2Very high90Very high12 Ų1231 Ų315%0.05215%0.145CC..Hα-helixtrans-64.7-46.7177.2-73.3177.2176-153.10112.2V368 E369 M370 G375 S376 D400 N402 E403 I875V368-K372 HydrophobicContact CG1-CD 4.11Å; V368-K372 VanDerWaalsContact O-CG 3.31Å; V368-K372 WeakPolarHBondContact O-CG 3.12Å; V368-K372 PolarHBondContact O-N 2.99Å; E369-K372 PolarHBondContact O-N 3.21Å; M370-K372 VanDerWaalsContact C-N 3.34Å; M370-K372 PolarHBondContact O-N 3.17Å; K372-G375 PolarHBondContact O-N 3.06Å; K372-S376 PolarHBondContact O-N 3.25Å; K372-D400 PolarHBondContact NZ-O 3.33Å; K372-N402 PolarHBondContact O-ND2 3.05Å; K372-E403 VanDerWaalsContact CE-CD 3.47Å; K372-E403 WeakPolarHBondContact CE-OE1 3.46Å; K372-E403 WeakPolarHBondContact CE-OE2 3.33Å; K372-E403 VanDerWaalsContact NZ-CD 3.33Å; K372-E403 IonicContact NZ-OE1 3.86Å; K372-E403 PolarHBondContact NZ-OE1 2.68Å; K372-E403 IonicContact NZ-OE2 2.69Å; K372-E403 PolarHBondContact NZ-OE2 3.34Å; K372-I875 VanDerWaalsContact CE-CD1 3.42Å; K372-I875 HydrophobicContact CG-CD1 4.43Å
373F89.4Confident90.4Very high33 Ų3338.7 Ų38.715%0.14518%0.18CC..Hα-helixtrans-61.6-53.9179176.6-109.4000111.6K110 E369 M370 G375 S376 Y377K110-F373 HydrophobicContact CG-CD2 4.24Å; K110-F373 HydrophobicContact CG-CG 4.35Å; E369-F373 VanDerWaalsContact O-CB 3.3Å; E369-F373 WeakPolarHBondContact O-CB 2.81Å; E369-F373 PolarHBondContact O-N 3.08Å; M370-F373 HydrophobicContact CE-CD1 4.34Å; M370-F373 PolarHBondContact O-N 3.29Å; M370-F373 HydrophobicContact SD-CD1 4.25Å; F373-G375 VanDerWaalsContact C-N 3.33Å; F373-G375 PolarHBondContact O-N 2.99Å; F373-S376 PolarHBondContact O-N 3.46Å; F373-S376 PolarHBondContact O-OG 3.32Å; F373-Y377 HydrophobicContact CD1-CE2 4.44Å; F373-Y377 AromaticContact CE1-CE2 3.93Å; F373-Y377 HydrophobicContact CE1-CE2 3.93Å; F373-Y377 HydrophobicContact CE2-CE2 4.16Å; F373-Y377 AromaticContact CZ-CE2 3.78Å; F373-Y377 HydrophobicContact CZ-CE2 3.78Å; F373-Y377 WeakPolarHBondContact CZ-OH 3.32Å
374L91.3Very high90.6Very high66 Ų6643.2 Ų43.235%0.34620%0.201SC..Hα-helixtrans-65.5-38.2178.8-66.3174.2000111.7M370 S376 Y377 L930M370-L374 VanDerWaalsContact O-CB 3.28Å; M370-L374 WeakPolarHBondContact O-CB 3.41Å; M370-L374 VanDerWaalsContact O-CG 3.29Å; M370-L374 WeakPolarHBondContact O-CG 3.42Å; M370-L374 PolarHBondContact O-N 3.28Å; L374-S376 VanDerWaalsContact C-N 3.3Å; L374-S376 PolarHBondContact O-N 2.8Å; L374-Y377 PolarHBondContact O-N 3.45Å; L374-L930 HydrophobicContact CB-CD1 4.12Å; L374-L930 HydrophobicContact CB-CD2 3.84Å; L374-L930 HydrophobicContact CD1-CD1 3.85Å
375G90.6Very high90.9Very high0 Ų043.2 Ų43.20%020%0.201CC..Hα-helixtrans-60.6-36.6175.400000112.9Q371 K372 F373 Y377 F378 Y871Q371-G375 WeakPolarHBondContact O-CA 3.47Å; Q371-G375 PolarHBondContact O-N 3.13Å; K372-G375 PolarHBondContact O-N 3.06Å; F373-G375 VanDerWaalsContact C-N 3.33Å; F373-G375 PolarHBondContact O-N 2.99Å; G375-Y377 PolarHBondContact O-N 3.33Å; G375-Y377 VanDerWaalsContact O-N 3.1Å; G375-F378 WeakPolarHBondContact O-CB 3.42Å; G375-F378 PolarHBondContact O-N 3.13Å; G375-Y871 PolarHBondContact O-OH 3.37Å
376S91.3Very high91.3Very high10 Ų1047.4 Ų47.47%0.0722%0.219CC..Hα-helixtrans-57.8-30.3-179.872.30000113.7K372 F373 L374 F378 I379 T380 V396 N402K372-S376 PolarHBondContact O-N 3.25Å; F373-S376 PolarHBondContact O-N 3.46Å; F373-S376 PolarHBondContact O-OG 3.32Å; L374-S376 VanDerWaalsContact C-N 3.3Å; L374-S376 PolarHBondContact O-N 2.8Å; S376-F378 VanDerWaalsContact C-N 3.3Å; S376-F378 PolarHBondContact O-N 3.36Å; S376-I379 PolarHBondContact O-N 3Å; S376-T380 PolarHBondContact O-N 3.48Å; S376-T380 PolarHBondContact O-OG1 2.96Å; S376-V396 WeakPolarHBondContact O-CG2 3.07Å; S376-N402 PolarHBondContact N-ND2 2.71Å
377Y92.3Very high91.4Very high72 Ų7247.5 Ų47.528%0.28222%0.219SC..Hα-helixtrans-66.7-29.2175.9-68-73.7000113.2F373 L374 G375 I379 T380 W381F373-Y377 HydrophobicContact CD1-CE2 4.44Å; F373-Y377 AromaticContact CE1-CE2 3.93Å; F373-Y377 HydrophobicContact CE1-CE2 3.93Å; F373-Y377 HydrophobicContact CE2-CE2 4.16Å; F373-Y377 AromaticContact CZ-CE2 3.78Å; F373-Y377 HydrophobicContact CZ-CE2 3.78Å; F373-Y377 WeakPolarHBondContact CZ-OH 3.32Å; L374-Y377 PolarHBondContact O-N 3.45Å; G375-Y377 PolarHBondContact O-N 3.33Å; G375-Y377 VanDerWaalsContact O-N 3.1Å; Y377-I379 VanDerWaalsContact C-N 3.25Å; Y377-I379 PolarHBondContact O-N 3.38Å; Y377-T380 PolarHBondContact O-N 3.22Å; Y377-T380 VanDerWaalsContact O-N 3.15Å; Y377-W381 HydrophobicContact CD1-CZ2 4.17Å; Y377-W381 HydrophobicContact CG-CH2 4.33Å; Y377-W381 HydrophobicContact CG-CZ2 4.21Å; Y377-W381 WeakPolarHBondContact O-CB 3.34Å; Y377-W381 VanDerWaalsContact O-CG 3.26Å; Y377-W381 PolarHBondContact O-N 3.07Å
378F93.9Very high91.3Very high78 Ų7855.7 Ų55.734%0.34226%0.257SS..Hα-helixtrans-68.4-23.9177.4-60.9-32.3000113.2G375 S376 W381 L930G375-F378 WeakPolarHBondContact O-CB 3.42Å; G375-F378 PolarHBondContact O-N 3.13Å; S376-F378 VanDerWaalsContact C-N 3.3Å; S376-F378 PolarHBondContact O-N 3.36Å; F378-W381 HydrophobicContact CD1-CE3 4.05Å; F378-W381 HydrophobicContact CD1-CZ3 4.26Å; F378-W381 HydrophobicContact CE1-CE3 4.44Å; F378-W381 HydrophobicContact CE1-CZ3 4.25Å; F378-L930 HydrophobicContact CE2-CB 4.23Å; F378-L930 HydrophobicContact CE2-CD2 4.19Å; F378-L930 WeakPolarHBondContact CE2-O 3.34Å
379I93.8Very high91Very high1 Ų162.2 Ų62.21%0.00529%0.287CS..Hα-helixtrans-72.3-47.2170-61.4178000109S376 Y377 W381 D382 M385 A394 V396 L405 Y852 Y871S376-I379 PolarHBondContact O-N 3Å; Y377-I379 VanDerWaalsContact C-N 3.25Å; Y377-I379 PolarHBondContact O-N 3.38Å; I379-W381 VanDerWaalsContact C-N 3.32Å; I379-W381 PolarHBondContact O-N 3.31Å; I379-D382 PolarHBondContact O-N 3.02Å; I379-M385 HydrophobicContact CB-CE 4.36Å; I379-M385 HydrophobicContact CG2-CE 3.74Å; I379-M385 VanDerWaalsContact O-CE 3.25Å; I379-M385 WeakPolarHBondContact O-CE 3.34Å; I379-A394 HydrophobicContact CG2-CB 4.15Å; I379-V396 HydrophobicContact CB-CG2 3.78Å; I379-V396 HydrophobicContact CD1-CG2 4.12Å; I379-V396 HydrophobicContact CG1-CG2 4.5Å; I379-V396 HydrophobicContact CG2-CG2 3.83Å; I379-L405 HydrophobicContact CD1-CD1 4.33Å; I379-Y852 HydrophobicContact CD1-CD1 4.38Å; I379-Y852 HydrophobicContact CD1-CE1 3.89Å; I379-Y871 HydrophobicContact CD1-CE2 3.75Å; I379-Y871 HydrophobicContact CG1-CE2 3.81Å
380T92.5Very high90.6Very high61 Ų6164.6 Ų64.637%0.37430%0.3SS..Hα-helixtrans-65.9-32-178.1-51.80000113.1S376 Y377 A394S376-T380 PolarHBondContact O-N 3.48Å; S376-T380 PolarHBondContact O-OG1 2.96Å; Y377-T380 PolarHBondContact O-N 3.22Å; Y377-T380 VanDerWaalsContact O-N 3.15Å; T380-A394 WeakPolarHBondContact CA-O 2.87Å
381W93.8Very high90.4Very high171 Ų17164.9 Ų64.965%0.64831%0.313SS*.THydrogen-bonded Turntrans-88.50.8-179.6-64.3-25.8000114.5Y377 F378 I379 E383Y377-W381 HydrophobicContact CD1-CZ2 4.17Å; Y377-W381 HydrophobicContact CG-CH2 4.33Å; Y377-W381 HydrophobicContact CG-CZ2 4.21Å; Y377-W381 WeakPolarHBondContact O-CB 3.34Å; Y377-W381 VanDerWaalsContact O-CG 3.26Å; Y377-W381 PolarHBondContact O-N 3.07Å; F378-W381 HydrophobicContact CD1-CE3 4.05Å; F378-W381 HydrophobicContact CD1-CZ3 4.26Å; F378-W381 HydrophobicContact CE1-CE3 4.44Å; F378-W381 HydrophobicContact CE1-CZ3 4.25Å; I379-W381 VanDerWaalsContact C-N 3.32Å; I379-W381 PolarHBondContact O-N 3.31Å; W381-E383 PolarHBondContact O-N 3.4Å
382D94.6Very high90Very high25 Ų2567.9 Ų67.913%0.13433%0.327CS..  trans-75.6109.1-179.1-168.7-18.8000111.2I379 E384 M385 K862 H867I379-D382 PolarHBondContact O-N 3.02Å; D382-E384 VanDerWaalsContact C-N 3.27Å; D382-E384 PolarHBondContact O-N 3.07Å; D382-E384 PolarHBondContact OD1-N 3.42Å; D382-E384 VanDerWaalsContact OD1-N 3.16Å; D382-M385 HydrophobicContact CB-CB 4.34Å; D382-M385 HydrophobicContact CB-CE 3.49Å; D382-M385 VanDerWaalsContact CB-CE 3.49Å; D382-M385 HydrophobicContact CB-CG 4.3Å; D382-M385 WeakPolarHBondContact O-CA 3.28Å; D382-M385 PolarHBondContact O-N 3.32Å; D382-K862 IonicContact OD1-NZ 2.95Å; D382-K862 PolarHBondContact OD1-NZ 3.32Å; D382-K862 WeakPolarHBondContact OD2-CD 3.29Å; D382-K862 WeakPolarHBondContact OD2-CE 3.1Å; D382-K862 IonicContact OD2-NZ 3.78Å; D382-K862 PolarHBondContact OD2-NZ 3.42Å; D382-H867 IonicContact OD2-CD2 2.84Å; D382-H867 IonicContact OD2-CE1 3.24Å; D382-H867 IonicContact OD2-NE2 3.05Å; D382-H867 PolarHBondContact OD2-NE2 2.92Å
383E92.2Very high89.9Confident176 Ų17668.3 Ų68.382%0.82234%0.335SS*.G310 helixtrans-61.2-31.1-178.2-65.3-178.2172.100113.3W381 M385 F386W381-E383 PolarHBondContact O-N 3.4Å; E383-M385 PolarHBondContact O-N 3.17Å; E383-F386 VanDerWaalsContact O-CB 3.24Å; E383-F386 WeakPolarHBondContact O-CB 3.43Å; E383-F386 PolarHBondContact O-N 3.05Å; E383-F386 VanDerWaalsContact O-N 3.08Å
384E91.2Very high90.1Very high102 Ų10267 Ų6748%0.47733%0.33SS..G310 helixtrans-75.1-7.6176.6-60.7-179.8-167.700113D382 H859 K862 K941D382-E384 VanDerWaalsContact C-N 3.27Å; D382-E384 PolarHBondContact O-N 3.07Å; D382-E384 PolarHBondContact OD1-N 3.42Å; D382-E384 VanDerWaalsContact OD1-N 3.16Å; E384-H859 PolarHBondContact O-CE1 3.47Å; E384-H859 PolarHBondContact O-ND1 3.45Å; E384-K862 HydrophobicContact CB-CD 4.23Å; E384-K862 IonicContact OE1-NZ 3.01Å; E384-K862 VanDerWaalsContact OE2-CD 3.26Å; E384-K862 WeakPolarHBondContact OE2-CD 3.36Å; E384-K862 VanDerWaalsContact OE2-CE 3.24Å; E384-K862 WeakPolarHBondContact OE2-CE 3.48Å; E384-K862 IonicContact OE2-NZ 3.85Å; E384-K862 PolarHBondContact OE2-NZ 2.94Å; E384-K941 IonicContact OE1-NZ 3.27Å; E384-K941 PolarHBondContact OE1-NZ 3.49Å; E384-K941 WeakPolarHBondContact OE2-CE 3.46Å; E384-K941 IonicContact OE2-NZ 3.81Å; E384-K941 PolarHBondContact OE2-NZ 2.73Å
385M92.8Very high90Very high0 Ų068.7 Ų68.70%034%0.336CS..G310 helixtrans-101.813.5170.8-60.1-164.8-66.400112.6I379 D382 E383 G393 A394 H859 K862 M863 H867I379-M385 HydrophobicContact CB-CE 4.36Å; I379-M385 HydrophobicContact CG2-CE 3.74Å; I379-M385 VanDerWaalsContact O-CE 3.25Å; I379-M385 WeakPolarHBondContact O-CE 3.34Å; D382-M385 HydrophobicContact CB-CB 4.34Å; D382-M385 HydrophobicContact CB-CE 3.49Å; D382-M385 VanDerWaalsContact CB-CE 3.49Å; D382-M385 HydrophobicContact CB-CG 4.3Å; D382-M385 WeakPolarHBondContact O-CA 3.28Å; D382-M385 PolarHBondContact O-N 3.32Å; E383-M385 PolarHBondContact O-N 3.17Å; M385-G393 WeakPolarHBondContact O-CA 3.31Å; M385-A394 HydrophobicContact CB-CB 4.03Å; M385-A394 HydrophobicContact CE-CB 4.29Å; M385-A394 PolarHBondContact O-N 3.44Å; M385-H859 WeakPolarHBondContact CA-ND1 3.35Å; M385-H859 HydrophobicContact CG-CB 4.22Å; M385-H859 HydrophobicContact SD-CB 4.46Å; M385-K862 HydrophobicContact CG-CD 4.32Å; M385-M863 HydrophobicContact SD-CB 4.34Å; M385-H867 WeakPolarHBondContact CE-NE2 3.43Å
386F91.9Very high89.9Confident100 Ų10070 Ų7044%0.43934%0.344SS..EExtended strand (participates in β ladder)trans-91.1136.4169.4-170.4-97.8000110.8E383 G391E383-F386 VanDerWaalsContact O-CB 3.24Å; E383-F386 WeakPolarHBondContact O-CB 3.43Å; E383-F386 PolarHBondContact O-N 3.05Å; E383-F386 VanDerWaalsContact O-N 3.08Å; F386-G391 VanDerWaalsContact CZ-C 3.44Å
387D89.1Confident89.6Confident10 Ų1072.1 Ų72.15%0.05336%0.355CS..EExtended strand (participates in β ladder)trans-108.2120.7174.6-175.679.1000110E389 L390 G391 Q392 P855 K856D387-E389 VanDerWaalsContact C-N 3.34Å; D387-E389 WeakPolarHBondContact OD2-CB 3.41Å; D387-E389 PolarHBondContact OD2-N 2.76Å; D387-L390 HydrophobicContact CB-CB 4.47Å; D387-L390 WeakPolarHBondContact OD2-CB 3.46Å; D387-L390 WeakPolarHBondContact OD2-CG 3.19Å; D387-L390 PolarHBondContact OD2-N 2.84Å; D387-G391 WeakPolarHBondContact O-CA 3.15Å; D387-G391 PolarHBondContact O-N 2.57Å; D387-Q392 PolarHBondContact N-O 2.94Å; D387-Q392 PolarHBondContact O-N 2.88Å; D387-P855 HydrophobicContact CB-CB 3.5Å; D387-P855 HydrophobicContact CB-CG 3.67Å; D387-K856 WeakPolarHBondContact OD1-CE 3.38Å; D387-K856 WeakPolarHBondContact OD1-CG 3.28Å
388E88.1Confident89.1Confident182 Ų18270 Ų7085%0.8535%0.35SS*.THydrogen-bonded Turntrans-69.6-30.6-176.9-65.9-177.1178.200112.5
389E83.3Confident88.6Confident149 Ų14966.8 Ų66.870%0.69634%0.336SS*.THydrogen-bonded Turntrans-69.9-43.2-179.9-59.3-177.7155.400111.7D387 K856D387-E389 VanDerWaalsContact C-N 3.34Å; D387-E389 WeakPolarHBondContact OD2-CB 3.41Å; D387-E389 PolarHBondContact OD2-N 2.76Å; E389-K856 IonicContact OE2-NZ 3.1Å; E389-K856 PolarHBondContact OE2-NZ 2.98Å
390L79.1Confident88.2Confident65 Ų6569.5 Ų69.534%0.3435%0.351SS..THydrogen-bonded Turntrans-85-19.4179.5-68.4167.7000113D387 Q392 M839 P855D387-L390 HydrophobicContact CB-CB 4.47Å; D387-L390 WeakPolarHBondContact OD2-CB 3.46Å; D387-L390 WeakPolarHBondContact OD2-CG 3.19Å; D387-L390 PolarHBondContact OD2-N 2.84Å; L390-Q392 PolarHBondContact O-N 3.37Å; L390-M839 WeakPolarHBondContact CD1-O 3.49Å; L390-P855 HydrophobicContact CD1-CB 3.89Å
391G84.5Confident88.1Confident48 Ų4866.6 Ų66.650%0.49533%0.333SS..THydrogen-bonded Turntrans66.125.5-175.300000113.4F386 D387F386-G391 VanDerWaalsContact CZ-C 3.44Å; D387-G391 WeakPolarHBondContact O-CA 3.15Å; D387-G391 PolarHBondContact O-N 2.57Å
392Q83.4Confident88Confident65 Ų6558.5 Ų58.530%0.30430%0.303SS..EExtended strand (participates in β ladder)trans-135.8146.7-175.6-62-167.3-20.300111.3D387 L390 M839 R844D387-Q392 PolarHBondContact N-O 2.94Å; D387-Q392 PolarHBondContact O-N 2.88Å; L390-Q392 PolarHBondContact O-N 3.37Å; Q392-M839 HydrophobicContact CB-SD 4.39Å; Q392-R844 VanDerWaalsContact NE2-NH2 3.11Å
393G89.9Confident88Confident21 Ų2157.4 Ų57.422%0.21630%0.297CS..EExtended strand (participates in β ladder)trans-102.6-178.4174.400000113.3M385 M839M385-G393 WeakPolarHBondContact O-CA 3.31Å; G393-M839 WeakPolarHBondContact O-CE 3.23Å
394A91.9Very high88Confident4 Ų449.1 Ų49.13%0.03326%0.258CS..  trans-59.3141.7172.600000111.5I379 T380 M385 A853 I854I379-A394 HydrophobicContact CG2-CB 4.15Å; T380-A394 WeakPolarHBondContact CA-O 2.87Å; M385-A394 HydrophobicContact CB-CB 4.03Å; M385-A394 HydrophobicContact CE-CB 4.29Å; M385-A394 PolarHBondContact O-N 3.44Å; A394-A853 CarbonylContact C-O 3.59Å; A394-A853 VanDerWaalsContact CA-O 3.32Å; A394-A853 WeakPolarHBondContact CA-O 3.42Å; A394-I854 HydrophobicContact CB-CG2 4.33Å
395Q89.3Confident88.2Confident103 Ų10344.3 Ų44.348%0.48124%0.235SC..EExtended strand (participates in β ladder)trans-124.1134.1178.7-177.6177.713.100110.4M839 Y852 A853Q395-M839 HydrophobicContact CB-CE 3.67Å; Q395-Y852 CarbonylContact O-C 3.49Å; Q395-Y852 WeakPolarHBondContact O-CA 3.28Å; Q395-A853 HydrophobicContact CB-CB 4.32Å; Q395-A853 PolarHBondContact N-O 3.37Å; Q395-A853 PolarHBondContact O-N 3.02Å
396V90.2Very high88.2Confident26 Ų2644.3 Ų44.316%0.15824%0.235CC..EExtended strand (participates in β ladder)trans-100.5113.5175.3-174.40000109.6S376 I379 T398 Y852S376-V396 WeakPolarHBondContact O-CG2 3.07Å; I379-V396 HydrophobicContact CB-CG2 3.78Å; I379-V396 HydrophobicContact CD1-CG2 4.12Å; I379-V396 HydrophobicContact CG1-CG2 4.5Å; I379-V396 HydrophobicContact CG2-CG2 3.83Å; V396-T398 VanDerWaalsContact CG1-O 3.3Å; V396-T398 WeakPolarHBondContact CG1-O 3.15Å; V396-Y852 HydrophobicContact CB-CD1 4.26Å; V396-Y852 HydrophobicContact CB-CE1 4.36Å; V396-Y852 HydrophobicContact CG1-CD1 3.88Å; V396-Y852 HydrophobicContact CG1-CE1 3.59Å; V396-Y852 HydrophobicContact CG2-CD1 3.95Å; V396-Y852 HydrophobicContact CG2-CE1 4.08Å
397N83.6Confident88.3Confident55 Ų5539.8 Ų39.829%0.29422%0.215SC..SBendtrans-89.3-29.2176-64.3-35.1000112.2A847 S850 D851N397-A847 PolarHBondContact ND2-O 2.88Å; N397-S850 WeakPolarHBondContact CB-O 3.46Å; N397-S850 PolarHBondContact ND2-O 2.84Å; N397-D851 WeakPolarHBondContact CA-O 3.35Å; N397-D851 WeakPolarHBondContact CB-O 3.39Å; N397-D851 PolarHBondContact N-O 2.91Å
398T82.3Confident88.6Confident29 Ų2939.3 Ų39.318%0.17821%0.213CC..  trans-123.6111.6179.7-56.20000109.8V396 D400 L401 D851V396-T398 VanDerWaalsContact CG1-O 3.3Å; V396-T398 WeakPolarHBondContact CG1-O 3.15Å; T398-D400 VanDerWaalsContact C-N 3.35Å; T398-D400 HydrophobicContact CG2-CB 4.43Å; T398-L401 HydrophobicContact CG2-CD1 3.91Å; T398-L401 HydrophobicContact CG2-CG 3.95Å; T398-D851 PolarHBondContact N-O 3.46Å; T398-D851 PolarHBondContact OG1-OD1 3.15Å
399S83.8Confident88.9Confident9 Ų932.7 Ų32.76%0.06318%0.182CC..G310 helixtrans-77.4-17.5-179.4560000114K110 E114 L401 N402K110-S399 PolarHBondContact NZ-OG 3.3Å; K110-S399 VanDerWaalsContact NZ-OG 3.08Å; E114-S399 PolarHBondContact OE1-OG 3.43Å; S399-L401 PolarHBondContact O-N 2.89Å; S399-N402 PolarHBondContact O-ND2 3.14Å
400D84.9Confident89.4Confident58 Ų5825.8 Ų25.831%0.3115%0.15SC..G310 helixtrans-81.7-7.4-168.2-64.4-30.8000115.1K110 K372 T398K110-D400 IonicContact NZ-OD1 3.88Å; K110-D400 PolarHBondContact NZ-OD1 3.19Å; K372-D400 PolarHBondContact NZ-O 3.33Å; T398-D400 VanDerWaalsContact C-N 3.35Å; T398-D400 HydrophobicContact CG2-CB 4.43Å
401L90.1Very high90.2Very high1 Ų122.7 Ų22.71%0.00513%0.133CC..G310 helixtrans-113.39.6-168.5-61.1175.8000114.8K285 T398 S399 E403 E404 D851 Y852K285-L401 HydrophobicContact CB-CD1 3.97Å; K285-L401 HydrophobicContact CB-CD2 4.06Å; K285-L401 HydrophobicContact CD-CD1 4.1Å; T398-L401 HydrophobicContact CG2-CD1 3.91Å; T398-L401 HydrophobicContact CG2-CG 3.95Å; S399-L401 PolarHBondContact O-N 2.89Å; L401-E403 VanDerWaalsContact C-N 3.26Å; L401-E403 PolarHBondContact O-N 2.67Å; L401-E404 HydrophobicContact CB-CB 4.43Å; L401-E404 WeakPolarHBondContact O-CB 3.24Å; L401-E404 PolarHBondContact O-N 3.28Å; L401-D851 HydrophobicContact CD1-CB 4.13Å; L401-Y852 HydrophobicContact CB-CE2 4.44Å; L401-Y852 PolarHBondContact O-OH 3.4Å
402N92.7Very high90.8Very high1 Ų120.4 Ų20.41%0.00511%0.11CC..G310 helixtrans-58-37.4-170.9-65.7-20.1000113.1K372 S376 S399 E404 L405 Y852 Y871K372-N402 PolarHBondContact O-ND2 3.05Å; S376-N402 PolarHBondContact N-ND2 2.71Å; S399-N402 PolarHBondContact O-ND2 3.14Å; N402-E404 VanDerWaalsContact C-N 3.31Å; N402-E404 PolarHBondContact O-N 2.86Å; N402-L405 WeakPolarHBondContact O-CB 3.14Å; N402-Y852 WeakPolarHBondContact CA-OH 3.17Å; N402-Y852 PolarHBondContact N-OH 3.06Å; N402-Y852 PolarHBondContact OD1-OH 2.97Å; N402-Y871 HydrophobicContact CB-CD1 4.17Å; N402-Y871 HydrophobicContact CB-CD2 3.84Å; N402-Y871 HydrophobicContact CB-CE2 4.26Å; N402-Y871 HydrophobicContact CB-CG 3.84Å; N402-Y871 WeakPolarHBondContact O-CB 3.41Å
403E93.1Very high91.4Very high2 Ų217.3 Ų17.31%0.00910%0.095CC..G310 helixtrans-73.7-21.8177.973.9-83.6-16000114S287 V289 K372 L401 L405 G406 I875S287-E403 WeakPolarHBondContact CB-OE1 3.43Å; S287-E403 PolarHBondContact OG-OE1 3.25Å; V289-E403 HydrophobicContact CB-CG 3.96Å; V289-E403 HydrophobicContact CG2-CB 4.45Å; V289-E403 HydrophobicContact CG2-CG 3.64Å; K372-E403 VanDerWaalsContact CE-CD 3.47Å; K372-E403 WeakPolarHBondContact CE-OE1 3.46Å; K372-E403 WeakPolarHBondContact CE-OE2 3.33Å; K372-E403 VanDerWaalsContact NZ-CD 3.33Å; K372-E403 IonicContact NZ-OE1 3.86Å; K372-E403 PolarHBondContact NZ-OE1 2.68Å; K372-E403 IonicContact NZ-OE2 2.69Å; K372-E403 PolarHBondContact NZ-OE2 3.34Å; L401-E403 VanDerWaalsContact C-N 3.26Å; L401-E403 PolarHBondContact O-N 2.67Å; E403-L405 PolarHBondContact O-N 3.47Å; E403-G406 PolarHBondContact O-N 3.28Å; E403-G406 VanDerWaalsContact O-N 3.15Å; E403-I875 HydrophobicContact CB-CB 4.45Å; E403-I875 HydrophobicContact CB-CD1 4.34Å; E403-I875 HydrophobicContact CB-CG2 3.6Å; E403-I875 HydrophobicContact CG-CD1 4.11Å; E403-I875 HydrophobicContact CG-CG2 4.03Å
404E93.9Very high91.4Very high2 Ų216.7 Ų16.71%0.0099%0.087CC..G310 helixtrans-69.3-26.9-178.5-156.369.6-167.500110.8S287 A288 L401 N402 G406 Q407 I815 V834S287-E404 VanDerWaalsContact CA-OE2 3.25Å; S287-E404 WeakPolarHBondContact CA-OE2 3.24Å; S287-E404 VanDerWaalsContact CB-OE2 3.24Å; S287-E404 WeakPolarHBondContact CB-OE2 3.45Å; A288-E404 PolarHBondContact N-OE2 3.19Å; L401-E404 HydrophobicContact CB-CB 4.43Å; L401-E404 WeakPolarHBondContact O-CB 3.24Å; L401-E404 PolarHBondContact O-N 3.28Å; N402-E404 VanDerWaalsContact C-N 3.31Å; N402-E404 PolarHBondContact O-N 2.86Å; E404-G406 PolarHBondContact O-N 3.39Å; E404-Q407 PolarHBondContact O-N 3.08Å; E404-I815 HydrophobicContact CG-CG2 3.86Å; E404-I815 WeakPolarHBondContact OE1-CD1 3.24Å; E404-I815 WeakPolarHBondContact OE1-CG1 3.36Å; E404-I815 WeakPolarHBondContact OE1-CG2 3.32Å; E404-V834 HydrophobicContact CB-CG2 3.84Å; E404-V834 HydrophobicContact CG-CG2 3.72Å
405L94.6Very high91.2Very high0 Ų016.6 Ų16.60%09%0.086CC..G310 helixtrans-58-28.8172.4-65.2170.9000112.6I379 N402 E403 Q407 L817 V834 I836 Y852 M863 L864 Y947I379-L405 HydrophobicContact CD1-CD1 4.33Å; N402-L405 WeakPolarHBondContact O-CB 3.14Å; E403-L405 PolarHBondContact O-N 3.47Å; L405-Q407 VanDerWaalsContact C-N 3.28Å; L405-L817 HydrophobicContact CD2-CD1 4.35Å; L405-V834 HydrophobicContact CD2-CG1 3.86Å; L405-I836 HydrophobicContact CD2-CD1 4.5Å; L405-Y852 HydrophobicContact CD1-CE1 4.26Å; L405-Y852 HydrophobicContact CD1-CE2 4.16Å; L405-Y852 HydrophobicContact CD2-CD2 4.27Å; L405-Y852 HydrophobicContact CD2-CE2 4.01Å; L405-Y852 HydrophobicContact CG-CE2 4.18Å; L405-M863 HydrophobicContact CD1-CE 3.73Å; L405-M863 HydrophobicContact CD1-CG 4.23Å; L405-M863 HydrophobicContact CD2-CE 3.99Å; L405-L864 HydrophobicContact CB-CD2 4.14Å; L405-L864 HydrophobicContact CD2-CD2 3.82Å; L405-L864 WeakPolarHBondContact O-CD2 3.17Å; L405-Y947 PolarHBondContact O-OH 3.35Å
406G93.5Very high90.9Very high0 Ų012.9 Ų12.90%07%0.07CC..G310 helixtrans-82-1.8176.300000114.4E403 E404 G868 Y947 I950E403-G406 PolarHBondContact O-N 3.28Å; E403-G406 VanDerWaalsContact O-N 3.15Å; E404-G406 PolarHBondContact O-N 3.39Å; G406-G868 VanDerWaalsContact CA-C 3.44Å; G406-G868 VanDerWaalsContact CA-O 3.24Å; G406-G868 WeakPolarHBondContact CA-O 3.48Å; G406-Y947 PolarHBondContact O-OH 3.45Å; G406-I950 VanDerWaalsContact O-CD1 3.23Å; G406-I950 WeakPolarHBondContact O-CD1 2.89Å
407Q94.1Very high90.4Very high5 Ų511.9 Ų11.92%0.0237%0.065CC..SBendtrans-120.22.6-173.8-63.4-60.9-67.500113.6E404 L405 E409 I815 Y872 Y947 I950E404-Q407 PolarHBondContact O-N 3.08Å; L405-Q407 VanDerWaalsContact C-N 3.28Å; Q407-E409 PolarHBondContact O-N 3.43Å; Q407-I815 HydrophobicContact CB-CG1 4.12Å; Q407-I815 VanDerWaalsContact O-CB 3.32Å; Q407-I815 WeakPolarHBondContact O-CB 3.44Å; Q407-Y872 VanDerWaalsContact CD-CE2 3.46Å; Q407-Y872 HydrophobicContact CG-CD2 3.73Å; Q407-Y872 HydrophobicContact CG-CE2 4.01Å; Q407-Y872 HydrophobicContact CG-CG 4.48Å; Q407-Y872 VanDerWaalsContact NE2-CG 3.3Å; Q407-Y947 PolarHBondContact N-OH 2.89Å; Q407-I950 PolarHBondContact NE2-O 2.98Å
408V95.1Very high90.6Very high1 Ų19.2 Ų9.21%0.0065%0.051CC..  trans-63.6125.3-176.9177.90000110.6Y410 V411 I815 L817 L864 Y947V408-Y410 WeakPolarHBondContact CG1-O 3.44Å; V408-V411 HydrophobicContact CG1-CG2 3.81Å; V408-I815 HydrophobicContact CG2-CG2 4.46Å; V408-L817 HydrophobicContact CB-CB 4.45Å; V408-L817 HydrophobicContact CG1-CB 3.52Å; V408-L817 HydrophobicContact CG1-CD1 4.27Å; V408-L817 HydrophobicContact CG2-CB 4Å; V408-L817 HydrophobicContact CG2-CD1 3.79Å; V408-L864 HydrophobicContact CG2-CD2 4.18Å; V408-Y947 PolarHBondContact N-OH 3.3Å; V408-Y947 WeakPolarHBondContact O-CE1 3.25Å; V408-Y947 PolarHBondContact O-OH 3.21Å
409E93.1Very high90.9Very high42 Ų427.9 Ų7.920%0.1964%0.043CC..  trans-107.2-30.3175.8-68.4-174.8-122.600112.1Q407 K683 P814 I815 K952Q407-E409 PolarHBondContact O-N 3.43Å; E409-K683 PolarHBondContact O-N 3.26Å; E409-P814 HydrophobicContact CB-CB 4.22Å; E409-I815 PolarHBondContact N-O 3.33Å; E409-K952 WeakPolarHBondContact OE2-CE 3.36Å
410Y94.8Very high91Very high4 Ų47.4 Ų7.42%0.0164%0.04CC..EExtended strand (participates in β ladder)trans-125.1131.4-179.9-73.1-100.2000110.6V408 K683 W685 I807 P814 I815 L817V408-Y410 WeakPolarHBondContact CG1-O 3.44Å; Y410-K683 WeakPolarHBondContact CA-O 3.42Å; Y410-K683 HydrophobicContact CD1-CB 3.9Å; Y410-K683 HydrophobicContact CD1-CD 4.43Å; Y410-K683 HydrophobicContact CE1-CB 3.95Å; Y410-K683 HydrophobicContact CE1-CD 3.66Å; Y410-K683 HydrophobicContact CE1-CG 4.43Å; Y410-K683 HydrophobicContact CE2-CD 4.49Å; Y410-K683 HydrophobicContact CG-CB 4.48Å; Y410-K683 PolarHBondContact OH-NZ 3.37Å; Y410-W685 AromaticContact CD1-CE2 3.88Å; Y410-W685 HydrophobicContact CD1-CZ2 4.12Å; Y410-W685 AromaticContact CD1-NE1 3.81Å; Y410-W685 AromaticContact CE1-CE2 3.78Å; Y410-W685 AromaticContact CE1-CZ2 3.65Å; Y410-W685 HydrophobicContact CE1-CZ2 3.65Å; Y410-W685 AromaticContact CE1-NE1 3.78Å; Y410-I807 HydrophobicContact CD1-CG2 4.2Å; Y410-I807 HydrophobicContact CD2-CG2 4.19Å; Y410-I807 HydrophobicContact CE1-CG2 4.35Å; Y410-I807 HydrophobicContact CE2-CG2 4.36Å; Y410-I807 HydrophobicContact CG-CG2 4.11Å; Y410-P814 HydrophobicContact CD2-CB 3.67Å; Y410-P814 HydrophobicContact CD2-CG 4.01Å; Y410-P814 HydrophobicContact CE2-CB 3.71Å; Y410-P814 HydrophobicContact CE2-CG 3.92Å; Y410-I815 PolarHBondContact N-O 3.43Å; Y410-L817 PolarHBondContact O-N 3.4Å
411V96.6Very high90.8Very high0 Ų07.8 Ų7.80%04%0.04CC..EExtended strand (participates in β ladder)trans-114.6114.61721730000108.4V408 I682 K683 V684 W685 L817 V819 L860 L864V408-V411 HydrophobicContact CG1-CG2 3.81Å; V411-I682 HydrophobicContact CB-CG2 4.25Å; V411-I682 HydrophobicContact CG2-CG2 3.54Å; V411-K683 PolarHBondContact N-O 3.02Å; V411-V684 HydrophobicContact CB-CG2 4.39Å; V411-V684 CarbonylContact O-C 3.56Å; V411-V684 WeakPolarHBondContact O-CA 3.38Å; V411-W685 PolarHBondContact O-N 3.21Å; V411-L817 CarbonylContact C-O 3.5Å; V411-L817 WeakPolarHBondContact CA-O 3.5Å; V411-L817 HydrophobicContact CG1-CD2 4.09Å; V411-L817 HydrophobicContact CG2-CB 4.29Å; V411-L817 HydrophobicContact CG2-CD2 4.23Å; V411-V819 HydrophobicContact CG1-CG2 4.23Å; V411-L860 HydrophobicContact CG1-CD2 4.36Å; V411-L864 HydrophobicContact CG2-CD1 4.33Å
412F96.6Very high90.1Very high0 Ų09 Ų90%05%0.046CC..EExtended strand (participates in β ladder)trans-92120.1169.3-56.6-74.1000108.3W685 L687 I803 V804 I807 T816 L817 A818 V819 M828F412-W685 CarbonylContact C-O 3.47Å; F412-W685 WeakPolarHBondContact CA-O 3.48Å; F412-W685 HydrophobicContact CD1-CB 3.77Å; F412-W685 HydrophobicContact CD1-CD2 4.37Å; F412-W685 HydrophobicContact CD1-CE3 4.12Å; F412-W685 HydrophobicContact CD1-CG 4.31Å; F412-W685 HydrophobicContact CE1-CB 4.13Å; F412-W685 AromaticContact CE1-CD2 3.83Å; F412-W685 HydrophobicContact CE1-CD2 3.83Å; F412-W685 AromaticContact CE1-CE3 3.46Å; F412-W685 HydrophobicContact CE1-CE3 3.46Å; F412-W685 VanDerWaalsContact CE1-CE3 3.46Å; F412-W685 HydrophobicContact CE1-CG 4.17Å; F412-W685 HydrophobicContact CE1-CZ3 4.04Å; F412-W685 HydrophobicContact CZ-CE3 4.49Å; F412-L687 HydrophobicContact CB-CD1 4.15Å; F412-L687 HydrophobicContact CD1-CD1 3.94Å; F412-L687 HydrophobicContact CD1-CG 4.34Å; F412-L687 HydrophobicContact CG-CD1 4.32Å; F412-I803 HydrophobicContact CD1-CG2 4.41Å; F412-I803 HydrophobicContact CE1-CG2 3.94Å; F412-V804 HydrophobicContact CB-CG2 4.36Å; F412-V804 HydrophobicContact CD1-CG2 4.44Å; F412-V804 HydrophobicContact CD2-CB 4.37Å; F412-V804 HydrophobicContact CD2-CG1 4.25Å; F412-V804 HydrophobicContact CD2-CG2 3.6Å; F412-V804 HydrophobicContact CE2-CB 4.24Å; F412-V804 HydrophobicContact CE2-CG1 4.09Å; F412-V804 HydrophobicContact CE2-CG2 3.91Å; F412-V804 HydrophobicContact CG-CG2 3.88Å; F412-V804 HydrophobicContact CZ-CG2 4.48Å; F412-I807 HydrophobicContact CE1-CG1 4.44Å; F412-I807 HydrophobicContact CZ-CB 3.9Å; F412-I807 HydrophobicContact CZ-CG1 3.97Å; F412-I807 HydrophobicContact CZ-CG2 4.08Å; F412-T816 HydrophobicContact CE2-CG2 3.73Å; F412-T816 HydrophobicContact CZ-CG2 4.4Å; F412-L817 WeakPolarHBondContact CD2-O 3.47Å; F412-L817 PolarHBondContact N-O 3.06Å; F412-A818 CarbonylContact O-C 3.5Å; F412-A818 VanDerWaalsContact O-CA 3.3Å; F412-A818 WeakPolarHBondContact O-CA 3.15Å; F412-V819 PolarHBondContact O-N 3.44Å; F412-M828 HydrophobicContact CB-SD 3.84Å
413T94.7Very high89.4Confident0 Ų012.9 Ų12.90%07%0.067CC..EExtended strand (participates in β ladder)trans-121143.1-179.4-173.30000109.9T418 L419 V684 W685 V686 L687T413-T418 WeakPolarHBondContact OG1-CG2 3.37Å; T413-L419 HydrophobicContact CG2-CD1 4.12Å; T413-L419 HydrophobicContact CG2-CD2 4.49Å; T413-L419 HydrophobicContact CG2-CG 4.38Å; T413-V684 HydrophobicContact CG2-CG1 4.01Å; T413-W685 PolarHBondContact N-O 2.66Å; T413-V686 HydrophobicContact CG2-CB 4.43Å; T413-V686 HydrophobicContact CG2-CG2 3.76Å; T413-V686 WeakPolarHBondContact O-CA 3.24Å; T413-L687 PolarHBondContact O-N 3.13Å
414D90.6Very high88.9Confident9 Ų913.3 Ų13.35%0.0487%0.069CC..  trans-76.4162.5162.6-165.159.1000110.9T416 T418 K800 V819 D825D414-T416 PolarHBondContact OD2-N 3.23Å; D414-T418 WeakPolarHBondContact O-CB 3.2Å; D414-T418 WeakPolarHBondContact O-CG2 3.47Å; D414-K800 IonicContact OD1-NZ 3.67Å; D414-K800 PolarHBondContact OD1-NZ 3.19Å; D414-V819 PolarHBondContact N-O 3.45Å; D414-D825 WeakPolarHBondContact CB-OD2 3.46Å
415K88.3Confident88.5Confident1 Ų114.3 Ų14.30%0.0047%0.074CC..SBendtrans-89.7-54.2177.3-171.7-121.381.51770111.3L419 T420 D664 V686 T688 D690 T698K415-L419 WeakPolarHBondContact O-CB 3.21Å; K415-L419 PolarHBondContact O-N 3.26Å; K415-T420 PolarHBondContact O-N 3.24Å; K415-T420 VanDerWaalsContact O-N 3.15Å; K415-D664 IonicContact NZ-OD2 3.73Å; K415-D664 PolarHBondContact NZ-OD2 3.39Å; K415-V686 HydrophobicContact CB-CG1 4.08Å; K415-T688 HydrophobicContact CB-CG2 4.44Å; K415-D690 VanDerWaalsContact CD-OD2 3.27Å; K415-D690 WeakPolarHBondContact CD-OD2 3.5Å; K415-D690 VanDerWaalsContact CE-OD2 3.28Å; K415-D690 WeakPolarHBondContact CE-OD2 3.42Å; K415-D690 IonicContact NZ-OD2 2.85Å; K415-D690 PolarHBondContact NZ-OD2 3.38Å; K415-T698 HydrophobicContact CD-CG2 4.34Å; K415-T698 HydrophobicContact CG-CG2 3.87Å
416T82.4Confident88.1Confident25 Ų2514.4 Ų14.415%0.1537%0.074CC..THydrogen-bonded Turntrans-82.4134.1-170.3-56.70000108.4D414 T418 D690D414-T416 PolarHBondContact OD2-N 3.23Å; T416-T418 PolarHBondContact O-N 3.45Å; T416-D690 PolarHBondContact OG1-OD2 3.45Å
417G79.2Confident87.7Confident5 Ų516 Ų165%0.0528%0.082CC..THydrogen-bonded Turntrans69.9-15.2179.400000115.7T420 Q667 D821G417-T420 CarbonylContact C-O 3.59Å; G417-T420 VanDerWaalsContact C-O 3.22Å; G417-T420 VanDerWaalsContact CA-O 3.28Å; G417-T420 WeakPolarHBondContact CA-O 3.38Å; G417-T420 PolarHBondContact N-O 3.04Å; G417-T420 PolarHBondContact N-OG1 2.96Å; G417-Q667 PolarHBondContact O-NE2 3.08Å; G417-D821 WeakPolarHBondContact CA-OD2 3.26Å
418T87.4Confident87.5Confident0 Ų016.7 Ų16.70%09%0.086CC..THydrogen-bonded Turntrans-102.4-61.1174.2-65.30000112.9T413 D414 T416 Q667 V819 G820 D821 I838 F857T413-T418 WeakPolarHBondContact OG1-CG2 3.37Å; D414-T418 WeakPolarHBondContact O-CB 3.2Å; D414-T418 WeakPolarHBondContact O-CG2 3.47Å; T416-T418 PolarHBondContact O-N 3.45Å; T418-Q667 WeakPolarHBondContact O-CG 3.44Å; T418-Q667 PolarHBondContact O-NE2 3.39Å; T418-Q667 VanDerWaalsContact O-NE2 3.14Å; T418-V819 HydrophobicContact CG2-CB 4.42Å; T418-V819 HydrophobicContact CG2-CG1 3.92Å; T418-G820 WeakPolarHBondContact OG1-CA 3.41Å; T418-D821 PolarHBondContact OG1-N 3.07Å; T418-D821 PolarHBondContact OG1-OD1 3.21Å; T418-I838 HydrophobicContact CG2-CD1 3.62Å; T418-F857 HydrophobicContact CG2-CD2 3.81Å; T418-F857 HydrophobicContact CG2-CE2 4.16Å; T418-F857 WeakPolarHBondContact O-CB 3.3Å
419L89.1Confident87.2Confident0 Ų016.7 Ų16.70%09%0.085CC..THydrogen-bonded Turntrans-83.7-28.5175.5-68.1179.9000111.8T413 K415 L666 Q667 I674 V686 F857T413-L419 HydrophobicContact CG2-CD1 4.12Å; T413-L419 HydrophobicContact CG2-CD2 4.49Å; T413-L419 HydrophobicContact CG2-CG 4.38Å; K415-L419 WeakPolarHBondContact O-CB 3.21Å; K415-L419 PolarHBondContact O-N 3.26Å; L419-L666 HydrophobicContact CB-CD2 4.46Å; L419-L666 CarbonylContact O-C 3.55Å; L419-L666 WeakPolarHBondContact O-CA 3.23Å; L419-L666 WeakPolarHBondContact O-CD2 3.5Å; L419-Q667 PolarHBondContact O-N 2.94Å; L419-I674 HydrophobicContact CD1-CD1 4.43Å; L419-I674 HydrophobicContact CD2-CD1 3.87Å; L419-V686 HydrophobicContact CD1-CG2 4.04Å; L419-F857 HydrophobicContact CD2-CD1 4.14Å; L419-F857 HydrophobicContact CD2-CD2 4.25Å; L419-F857 HydrophobicContact CD2-CE1 3.75Å; L419-F857 HydrophobicContact CD2-CE2 3.87Å; L419-F857 HydrophobicContact CD2-CG 4.38Å; L419-F857 HydrophobicContact CD2-CZ 3.6Å
420T86.5Confident87.1Confident0 Ų014.8 Ų14.80%08%0.077CC..EExtended strand (participates in β ladder)trans-106.3157.9174.369.60000111.5K415 G417 N422 D664 R665 L666 Q667 T698K415-T420 PolarHBondContact O-N 3.24Å; K415-T420 VanDerWaalsContact O-N 3.15Å; G417-T420 CarbonylContact C-O 3.59Å; G417-T420 VanDerWaalsContact C-O 3.22Å; G417-T420 VanDerWaalsContact CA-O 3.28Å; G417-T420 WeakPolarHBondContact CA-O 3.38Å; G417-T420 PolarHBondContact N-O 3.04Å; G417-T420 PolarHBondContact N-OG1 2.96Å; T420-N422 VanDerWaalsContact C-N 3.25Å; T420-D664 WeakPolarHBondContact CB-OD1 3.41Å; T420-D664 HydrophobicContact CG2-CB 4.44Å; T420-D664 PolarHBondContact OG1-OD1 3.37Å; T420-D664 PolarHBondContact OG1-OD2 2.97Å; T420-D664 VanDerWaalsContact OG1-OD2 3.12Å; T420-R665 CarbonylContact C-O 3.48Å; T420-R665 WeakPolarHBondContact CA-O 3.17Å; T420-R665 VanDerWaalsContact CB-O 3.3Å; T420-R665 WeakPolarHBondContact CB-O 3.25Å; T420-L666 HydrophobicContact CG2-CD2 4.23Å; T420-Q667 PolarHBondContact O-NE2 3.23Å; T420-T698 HydrophobicContact CG2-CG2 4.19Å
421E81Confident86.8Confident65 Ų6514.7 Ų14.730%0.3048%0.077SC..EExtended strand (participates in β ladder)trans-84.8-0.9179.2-64.5-176169.900112.8N423 R665 Q667 E668E421-N423 HydrophobicContact CB-CB 4.3Å; E421-N423 PolarHBondContact O-N 2.86Å; E421-N423 VanDerWaalsContact O-N 3.16Å; E421-R665 PolarHBondContact N-O 2.97Å; E421-Q667 HydrophobicContact CG-CB 4.05Å; E421-Q667 HydrophobicContact CG-CG 3.67Å; E421-Q667 WeakPolarHBondContact OE1-CA 2.9Å; E421-E668 PolarHBondContact OE1-N 3.01Å
422N74.7Confident86.3Confident28 Ų2816.8 Ų16.815%0.159%0.088CC..EExtended strand (participates in β ladder)trans5132.6-171-164.842.6000112.2T420 M424 E842T420-N422 VanDerWaalsContact C-N 3.25Å; N422-M424 WeakPolarHBondContact OD1-CE 3.49Å; N422-E842 PolarHBondContact ND2-OE1 3.21Å
423N78.8Confident85.3Confident82 Ų8217.9 Ų17.944%0.43910%0.099SC..EExtended strand (participates in β ladder)trans-107.4103.7175.2-173.618.2000107.3E421E421-N423 HydrophobicContact CB-CB 4.3Å; E421-N423 PolarHBondContact O-N 2.86Å; E421-N423 VanDerWaalsContact O-N 3.16Å
424M82.4Confident84.7Confident10 Ų1020 Ų205%0.04911%0.11CC..EExtended strand (participates in β ladder)trans-82.9128-175.3-60.7-56.4158.200109.4N422 P510 D511 A514 R608 V662 E663 D664N422-M424 WeakPolarHBondContact OD1-CE 3.49Å; M424-P510 HydrophobicContact CG-CB 3.93Å; M424-P510 HydrophobicContact CG-CG 4.12Å; M424-D511 WeakPolarHBondContact CG-OD1 3.32Å; M424-A514 HydrophobicContact CB-CB 3.68Å; M424-A514 VanDerWaalsContact O-CB 3.23Å; M424-A514 WeakPolarHBondContact O-CB 3.38Å; M424-R608 VanDerWaalsContact CE-NH2 3.3Å; M424-V662 HydrophobicContact CB-CG1 3.7Å; M424-V662 HydrophobicContact CG-CG1 4.38Å; M424-V662 HydrophobicContact SD-CG1 4.37Å; M424-E663 WeakPolarHBondContact CA-O 3.38Å; M424-D664 HydrophobicContact CE-CB 4.1Å; M424-D664 HydrophobicContact SD-CB 3.77Å
425E83.9Confident84.3Confident24 Ų2422.3 Ų22.311%0.11213%0.125CC..EExtended strand (participates in β ladder)trans-121.9134.1173.6-170.8171.3-149.400111.2I427 H439 R521 V662 E663 R665E425-I427 HydrophobicContact CB-CD1 4.18Å; E425-I427 HydrophobicContact CG-CD1 4Å; E425-I427 PolarHBondContact O-N 2.97Å; E425-H439 IonicContact OE1-CE1 3.23Å; E425-H439 PolarHBondContact OE1-CE1 2.95Å; E425-H439 IonicContact OE1-NE2 2.74Å; E425-H439 PolarHBondContact OE1-NE2 3.28Å; E425-H439 IonicContact OE2-NE2 3.82Å; E425-R521 IonicContact OE1-CZ 3.1Å; E425-R521 IonicContact OE1-NH1 3.96Å; E425-R521 PolarHBondContact OE1-NH1 3.45Å; E425-R521 IonicContact OE1-NH2 3.93Å; E425-V662 CarbonylContact O-C 2.85Å; E425-V662 VanDerWaalsContact O-CA 3.29Å; E425-V662 WeakPolarHBondContact O-CA 3.22Å; E425-V662 WeakPolarHBondContact O-CG1 3.45Å; E425-E663 PolarHBondContact N-O 3.29Å; E425-E663 PolarHBondContact O-N 3.38Å; E425-R665 IonicContact OE1-NH2 3.63Å; E425-R665 IonicContact OE2-CZ 3.32Å; E425-R665 IonicContact OE2-NE 3.69Å; E425-R665 PolarHBondContact OE2-NE 3.2Å; E425-R665 IonicContact OE2-NH2 2.8Å; E425-R665 PolarHBondContact OE2-NH2 2.9Å
426F88Confident83.9Confident2 Ų224.5 Ų24.51%0.00913%0.133CC..EExtended strand (participates in β ladder)trans-77.3107.6173.2-179.6-110.8000110.3C429 P438 A514 L515 L522 T660 V662F426-C429 HydrophobicContact CE2-CB 4.04Å; F426-C429 HydrophobicContact CZ-CB 3.66Å; F426-P438 HydrophobicContact CD1-CB 4.49Å; F426-P438 HydrophobicContact CD1-CG 3.51Å; F426-P438 HydrophobicContact CE1-CG 3.37Å; F426-P438 HydrophobicContact CZ-CG 4.47Å; F426-A514 WeakPolarHBondContact CB-O 3.18Å; F426-L515 HydrophobicContact CD2-CD2 3.68Å; F426-L515 HydrophobicContact CE2-CD2 3.89Å; F426-L522 HydrophobicContact CE1-CD1 4Å; F426-T660 HydrophobicContact CE2-CG2 3.81Å; F426-V662 HydrophobicContact CD2-CG2 4.29Å
427I85.2Confident83.6Confident32 Ų3225.8 Ų25.816%0.16414%0.139CC..EExtended strand (participates in β ladder)trans-92.7-45.9-173.1-61.9-54.8000111.9E425 P438 L607 A661 E663E425-I427 HydrophobicContact CB-CD1 4.18Å; E425-I427 HydrophobicContact CG-CD1 4Å; E425-I427 PolarHBondContact O-N 2.97Å; I427-P438 VanDerWaalsContact O-CD 3.32Å; I427-P438 WeakPolarHBondContact O-CD 3.3Å; I427-L607 HydrophobicContact CG1-CD2 4.32Å; I427-A661 PolarHBondContact N-O 3.16Å; I427-A661 VanDerWaalsContact N-O 3.13Å; I427-E663 HydrophobicContact CD1-CB 4.1Å; I427-E663 HydrophobicContact CG1-CB 3.48Å; I427-E663 VanDerWaalsContact CG1-CB 3.48Å
428E88.2Confident82.7Confident21 Ų2125.8 Ų25.810%0.09814%0.138CC..EExtended strand (participates in β ladder)trans-158.2164.4-177.563.1172.8-148.200112.4Y436 I437 H598 N602 L607 A661E428-Y436 CarbonylContact C-O 3.57Å; E428-Y436 VanDerWaalsContact CA-O 3.24Å; E428-Y436 WeakPolarHBondContact CA-O 3.35Å; E428-Y436 WeakPolarHBondContact CB-O 3.5Å; E428-I437 HydrophobicContact CB-CG1 4.19Å; E428-H598 IonicContact OE1-CE1 3.03Å; E428-H598 PolarHBondContact OE1-CE1 3.29Å; E428-H598 VanDerWaalsContact OE1-CE1 3.26Å; E428-H598 IonicContact OE1-NE2 2.75Å; E428-H598 PolarHBondContact OE1-NE2 2.8Å; E428-N602 PolarHBondContact OE1-ND2 3.4Å; E428-N602 PolarHBondContact OE1-OD1 2.83Å; E428-L607 HydrophobicContact CG-CD1 4.33Å; E428-A661 HydrophobicContact CG-CB 3.65Å; E428-A661 PolarHBondContact N-O 3.49Å; E428-A661 PolarHBondContact O-N 3.16Å
429C89.9Confident81.2Confident0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-142.3153.4168.460.70000111.8F426 V435 Y436 F471 A659 T660F426-C429 HydrophobicContact CE2-CB 4.04Å; F426-C429 HydrophobicContact CZ-CB 3.66Å; C429-V435 CarbonylContact O-C 3.41Å; C429-V435 WeakPolarHBondContact O-CA 3.32Å; C429-Y436 PolarHBondContact N-O 3.09Å; C429-Y436 PolarHBondContact O-N 3.25Å; C429-F471 HydrophobicContact CB-CE1 3.95Å; C429-F471 HydrophobicContact CB-CZ 3.98Å; C429-A659 CarbonylContact C-O 3.47Å; C429-A659 WeakPolarHBondContact CA-O 3.25Å; C429-A659 WeakPolarHBondContact CB-O 3.17Å; C429-T660 HydrophobicContact CB-CG2 4.26Å
430C90.4Very high79.2Confident2 Ų230.6 Ų30.61%0.01416%0.162CC..EExtended strand (participates in β ladder)trans-110.8119171.91770000109.6G433 N434 H598 G658 A659C430-G433 VanDerWaalsContact SG-C 3.59Å; C430-G433 VanDerWaalsContact SG-CA 3.58Å; C430-N434 CarbonylContact C-O 3.46Å; C430-N434 WeakPolarHBondContact CA-O 3.37Å; C430-H598 WeakPolarHBondContact CB-CD2 3.5Å; C430-G658 CarbonylContact O-C 3.47Å; C430-G658 WeakPolarHBondContact O-CA 3.15Å; C430-A659 PolarHBondContact N-O 2.99Å; C430-A659 PolarHBondContact O-N 3Å
431V89.3Confident77.4Confident3 Ų333 Ų332%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-119.2120.9-178.9-1690000109.2G433 N434 Y436 F471V431-G433 PolarHBondContact O-N 3.38Å; V431-G433 VanDerWaalsContact O-N 3.11Å; V431-N434 PolarHBondContact N-O 2.82Å; V431-N434 PolarHBondContact O-N 3.47Å; V431-N434 PolarHBondContact O-ND2 2.79Å; V431-Y436 HydrophobicContact CB-CD2 4.24Å; V431-Y436 HydrophobicContact CB-CE2 3.82Å; V431-Y436 HydrophobicContact CG2-CD2 4Å; V431-Y436 HydrophobicContact CG2-CE2 4.03Å; V431-F471 HydrophobicContact CB-CD1 4.49Å; V431-F471 HydrophobicContact CB-CG 4.45Å; V431-F471 HydrophobicContact CG1-CB 3.72Å; V431-F471 HydrophobicContact CG1-CD1 4.32Å; V431-F471 HydrophobicContact CG1-CD2 4.38Å; V431-F471 HydrophobicContact CG1-CG 3.9Å; V431-F471 HydrophobicContact CG2-CB 4.36Å; V431-F471 HydrophobicContact CG2-CD1 3.38Å; V431-F471 HydrophobicContact CG2-CD2 4.25Å; V431-F471 HydrophobicContact CG2-CE1 3.57Å; V431-F471 HydrophobicContact CG2-CE2 4.38Å; V431-F471 HydrophobicContact CG2-CG 3.75Å; V431-F471 HydrophobicContact CG2-CZ 4.05Å
432D84.9Confident75.3Confident44 Ų4433.8 Ų33.824%0.23519%0.187CC..THydrogen-bonded Turntrans46.140.4-174.8-169.942.8000113.7N434 K591 L657D432-N434 PolarHBondContact O-ND2 3.03Å; D432-K591 VanDerWaalsContact CG-NZ 3.27Å; D432-K591 WeakPolarHBondContact O-CD 3.24Å; D432-K591 PolarHBondContact O-NZ 3.28Å; D432-K591 WeakPolarHBondContact OD1-CD 3.49Å; D432-K591 WeakPolarHBondContact OD1-CE 3.48Å; D432-K591 IonicContact OD1-NZ 3.39Å; D432-K591 PolarHBondContact OD1-NZ 3.43Å; D432-K591 IonicContact OD2-NZ 2.75Å; D432-K591 PolarHBondContact OD2-NZ 3.14Å; D432-L657 PolarHBondContact N-O 2.99Å
433G76.6Confident73.5Confident22 Ų2240.5 Ų40.523%0.22722%0.222CC..THydrogen-bonded Turntrans84.5-0.2179.400000115.9C430 V431C430-G433 VanDerWaalsContact SG-C 3.59Å; C430-G433 VanDerWaalsContact SG-CA 3.58Å; V431-G433 PolarHBondContact O-N 3.38Å; V431-G433 VanDerWaalsContact O-N 3.11Å
434N82Confident71.8Confident45 Ų4539.9 Ų39.924%0.24124%0.235CC..EExtended strand (participates in β ladder)trans-105.9139.1178.6-43.5-74.3000110.6C430 V431 D432 Y436C430-N434 CarbonylContact C-O 3.46Å; C430-N434 WeakPolarHBondContact CA-O 3.37Å; V431-N434 PolarHBondContact N-O 2.82Å; V431-N434 PolarHBondContact O-N 3.47Å; V431-N434 PolarHBondContact O-ND2 2.79Å; D432-N434 PolarHBondContact O-ND2 3.03Å; N434-Y436 HydrophobicContact CB-CE2 4.12Å; N434-Y436 WeakPolarHBondContact O-CD2 3.5Å
435V82.7Confident69.7Low58 Ų5846.7 Ų46.735%0.35227%0.267SS..EExtended strand (participates in β ladder)trans-94.2133.6-176.3-175.20000110.8C429 I437 H598C429-V435 CarbonylContact O-C 3.41Å; C429-V435 WeakPolarHBondContact O-CA 3.32Å; V435-I437 HydrophobicContact CG1-CG1 4.39Å; V435-H598 VanDerWaalsContact CG2-CE1 3.42Å; V435-H598 WeakPolarHBondContact CG2-CE1 3.46Å
436Y78.7Confident67.8Low46 Ų4650 Ų5018%0.1828%0.284CS..EExtended strand (participates in β ladder)trans-121.6128.7177.4-65.5-103.4000109.2E428 C429 V431 N434 P438 E468E428-Y436 CarbonylContact C-O 3.57Å; E428-Y436 VanDerWaalsContact CA-O 3.24Å; E428-Y436 WeakPolarHBondContact CA-O 3.35Å; E428-Y436 WeakPolarHBondContact CB-O 3.5Å; C429-Y436 PolarHBondContact N-O 3.09Å; C429-Y436 PolarHBondContact O-N 3.25Å; V431-Y436 HydrophobicContact CB-CD2 4.24Å; V431-Y436 HydrophobicContact CB-CE2 3.82Å; V431-Y436 HydrophobicContact CG2-CD2 4Å; V431-Y436 HydrophobicContact CG2-CE2 4.03Å; N434-Y436 HydrophobicContact CB-CE2 4.12Å; N434-Y436 WeakPolarHBondContact O-CD2 3.5Å; Y436-P438 WeakPolarHBondContact O-CD 3.48Å; Y436-E468 PolarHBondContact OH-OE2 3.39Å
437I76Confident65.7Low53 Ų5354.4 Ų54.427%0.27231%0.308SS..  trans-115.8101.6178.7-55.8173.8000108.4E428 V435 H439 A440 I453E428-I437 HydrophobicContact CB-CG1 4.19Å; V435-I437 HydrophobicContact CG1-CG1 4.39Å; I437-H439 HydrophobicContact CG2-CB 4.29Å; I437-H439 PolarHBondContact O-N 2.79Å; I437-H439 VanDerWaalsContact O-N 3.14Å; I437-A440 HydrophobicContact CB-CB 4.38Å; I437-A440 WeakPolarHBondContact O-CB 3.39Å; I437-A440 PolarHBondContact O-N 3.42Å; I437-I453 HydrophobicContact CD1-CD1 4.42Å
438P60.3Low63.2Low4 Ų458 Ų583%0.02634%0.335CS..G310 helixtrans-47.6-37.8176.3-29.228.6000114.9F426 I427 Y436 A440 I441 L522F426-P438 HydrophobicContact CD1-CB 4.49Å; F426-P438 HydrophobicContact CD1-CG 3.51Å; F426-P438 HydrophobicContact CE1-CG 3.37Å; F426-P438 HydrophobicContact CZ-CG 4.47Å; I427-P438 VanDerWaalsContact O-CD 3.32Å; I427-P438 WeakPolarHBondContact O-CD 3.3Å; Y436-P438 WeakPolarHBondContact O-CD 3.48Å; P438-A440 PolarHBondContact O-N 2.97Å; P438-I441 PolarHBondContact O-N 2.71Å; P438-I441 VanDerWaalsContact O-N 3.11Å; P438-I441 VanDerWaalsContact O-O 3.13Å; P438-L522 HydrophobicContact CB-CD2 4.25Å; P438-L522 HydrophobicContact CB-CG 4.48Å; P438-L522 HydrophobicContact CG-CD1 4.23Å; P438-L522 HydrophobicContact CG-CD2 4.19Å; P438-L522 HydrophobicContact CG-CG 4.25Å
439H56.4Low60.8Low88 Ų8861.5 Ų61.541%0.40737%0.369SS..G310 helixtrans-67.4-17.9179.8-71.9-71.1000114.6E425 I437 R521E425-H439 IonicContact OE1-CE1 3.23Å; E425-H439 PolarHBondContact OE1-CE1 2.95Å; E425-H439 IonicContact OE1-NE2 2.74Å; E425-H439 PolarHBondContact OE1-NE2 3.28Å; E425-H439 IonicContact OE2-NE2 3.82Å; I437-H439 HydrophobicContact CG2-CB 4.29Å; I437-H439 PolarHBondContact O-N 2.79Å; I437-H439 VanDerWaalsContact O-N 3.14Å; H439-R521 PolarHBondContact CE1-NH1 3.23Å
440A48.3Very low58.4Low14 Ų1462.4 Ų62.412%0.11638%0.376CS..G310 helixtrans-85.4-13.6174.800000112.7I437 P438 I446 L447 A450I437-A440 HydrophobicContact CB-CB 4.38Å; I437-A440 WeakPolarHBondContact O-CB 3.39Å; I437-A440 PolarHBondContact O-N 3.42Å; P438-A440 PolarHBondContact O-N 2.97Å; A440-I446 VanDerWaalsContact O-CA 3.32Å; A440-I446 WeakPolarHBondContact O-CA 3.5Å; A440-L447 PolarHBondContact O-N 3.04Å; A440-A450 HydrophobicContact CB-CB 3.84Å
441I47.1Very low55.9Low50 Ų5067 Ų6726%0.25641%0.408SS..EExtended strand (participates in β ladder)trans-121.198-170.8-54.3172.9000109P438P438-I441 PolarHBondContact O-N 2.71Å; P438-I441 VanDerWaalsContact O-N 3.11Å; P438-I441 VanDerWaalsContact O-O 3.13Å
442C37.3Very low53.4Low82 Ų8271.8 Ų71.855%0.55444%0.441SS*.EExtended strand (participates in β ladder)trans-99.6122.9167.8-89.90000109.1G444 Q445C442-G444 PolarHBondContact O-N 3.1Å; C442-G444 VanDerWaalsContact O-N 3.17Å; C442-Q445 PolarHBondContact N-O 3.37Å; C442-Q445 VanDerWaalsContact N-O 3.17Å; C442-Q445 PolarHBondContact O-N 2.97Å
443N36Very low51.5Low169 Ų16974.3 Ų74.390%0.90445%0.454SS*.THydrogen-bonded Turntrans51.338.9176.6-63.6-12.3000113.9Q445N443-Q445 VanDerWaalsContact C-N 3.32Å; N443-Q445 PolarHBondContact O-N 2.67Å
444G44.5Very low49.5Very low69 Ų6981.3 Ų81.371%0.71149%0.486SS*.THydrogen-bonded Turntrans75.410.7179.700000115.6C442C442-G444 PolarHBondContact O-N 3.1Å; C442-G444 VanDerWaalsContact O-N 3.17Å
445Q37.1Very low47.6Very low152 Ų15287.1 Ų87.171%0.7151%0.514SS*.EExtended strand (participates in β ladder)trans-116.5136.4173.7-67.4-175.4-9.200111.7C442 N443C442-Q445 PolarHBondContact N-O 3.37Å; C442-Q445 VanDerWaalsContact N-O 3.17Å; C442-Q445 PolarHBondContact O-N 2.97Å; N443-Q445 VanDerWaalsContact C-N 3.32Å; N443-Q445 PolarHBondContact O-N 2.67Å
446I45.3Very low45.7Very low93 Ų9388.2 Ų88.248%0.47752%0.517SS..EExtended strand (participates in β ladder)trans-78.3124.6179-60.2170.6000109.6A440 A450 I456A440-I446 VanDerWaalsContact O-CA 3.32Å; A440-I446 WeakPolarHBondContact O-CA 3.5Å; I446-A450 HydrophobicContact CG2-CB 4.46Å; I446-I456 HydrophobicContact CD1-CG2 4.22Å
447L43Very low43.8Very low95 Ų9590.7 Ų90.750%0.49753%0.533SS..  trans-68.7127.7172.1-84.3148.3000110.6A440 A449 A450A440-L447 PolarHBondContact O-N 3.04Å; L447-A449 PolarHBondContact O-N 2.93Å; L447-A450 PolarHBondContact O-N 3.39Å
448S33.6Very low42.1Very low107 Ų10793 Ų9375%0.74855%0.554SS**G310 helixtrans-49.4-25.5-174.81790000115.5A450 S451S448-A450 VanDerWaalsContact C-N 3.3Å; S448-A450 PolarHBondContact O-N 2.9Å; S448-S451 PolarHBondContact O-N 3.32Å; S448-S451 PolarHBondContact O-OG 3.21Å
449A37.9Very low41.1Very low96 Ų9696 Ų9679%0.79358%0.576SS**G310 helixtrans-71.3-16.1178.400000114.9L447L447-A449 PolarHBondContact O-N 2.93Å
450A39.7Very low40.4Very low18 Ų1897.7 Ų97.715%0.14959%0.594CS.*G310 helixtrans-90.81.9179.400000114.1A440 I446 L447 S448 S452A440-A450 HydrophobicContact CB-CB 3.84Å; I446-A450 HydrophobicContact CG2-CB 4.46Å; L447-A450 PolarHBondContact O-N 3.39Å; S448-A450 VanDerWaalsContact C-N 3.3Å; S448-A450 PolarHBondContact O-N 2.9Å; A450-S452 PolarHBondContact O-N 3.32Å; A450-S452 VanDerWaalsContact O-N 3.09Å
451S36.7Very low40.1Very low100 Ų10098.9 Ų98.970%0.69961%0.608SS**THydrogen-bonded Turntrans-72.13.5-17756.90000115.4S448S448-S451 PolarHBondContact O-N 3.32Å; S448-S451 PolarHBondContact O-OG 3.21Å
452S37.7Very low40.2Very low102 Ų102100 Ų10071%0.71363%0.632SS**THydrogen-bonded Turntrans-103.85-178.753.10000114.4A450A450-S452 PolarHBondContact O-N 3.32Å; A450-S452 VanDerWaalsContact O-N 3.09Å
453I44.7Very low40.8Very low97 Ų97104.4 Ų104.450%0.49764%0.638SS.*SBendtrans-103.2108.3175.3-57.4169.8000108I437 M455I437-I453 HydrophobicContact CD1-CD1 4.42Å; I453-M455 PolarHBondContact O-N 2.69Å
454D34.5Very low41.8Very low170 Ų170100.6 Ų100.691%0.90961%0.611SS**THydrogen-bonded Turntrans-6522.3-172.8-91.5-21.2000116.1
455M41.1Very low42.8Very low166 Ų166105.6 Ų105.682%0.81861%0.609SS**THydrogen-bonded Turntrans-14137.6-177.8-70.9-155.3-156.900115.3I453I453-M455 PolarHBondContact O-N 2.69Å
456I44.4Very low44.7Very low82 Ų82102.6 Ų102.642%0.42160%0.595SS.*  trans-100.976.9163.8-51.7177.3000108.5I446 S458I446-I456 HydrophobicContact CD1-CG2 4.22Å; I456-S458 PolarHBondContact O-N 3.42Å
457D38.5Very low46.4Very low97 Ų97101.2 Ų101.252%0.51958%0.584SS.*  trans-73.8103.4173.7177.928.3000109.9S459 R464D457-S459 VanDerWaalsContact C-N 3.29Å; D457-S459 PolarHBondContact O-N 2.84Å; D457-S459 WeakPolarHBondContact OD1-CB 3.3Å; D457-S459 PolarHBondContact OD1-N 3.03Å; D457-S459 PolarHBondContact OD1-OG 3.07Å; D457-R464 IonicContact OD2-CZ 3.69Å; D457-R464 IonicContact OD2-NH1 2.92Å; D457-R464 PolarHBondContact OD2-NH1 2.88Å; D457-R464 IonicContact OD2-NH2 3.48Å; D457-R464 PolarHBondContact OD2-NH2 3.3Å
458S40.6Very low48.5Very low102 Ų10298.1 Ų98.171%0.71357%0.567SS**  trans-90.628.9-178.138.60000113.4I456 P460I456-S458 PolarHBondContact O-N 3.42Å; S458-P460 WeakPolarHBondContact O-CD 3.25Å
459S38.1Very low51Low68 Ų6894.8 Ų94.848%0.47654%0.54SS..  trans-84.3117.3179.7-55.30000112.4D457 G461 R464D457-S459 VanDerWaalsContact C-N 3.29Å; D457-S459 PolarHBondContact O-N 2.84Å; D457-S459 WeakPolarHBondContact OD1-CB 3.3Å; D457-S459 PolarHBondContact OD1-N 3.03Å; D457-S459 PolarHBondContact OD1-OG 3.07Å; S459-G461 PolarHBondContact O-N 2.7Å; S459-R464 PolarHBondContact O-NH1 2.83Å
460P42.3Very low53.5Low122 Ų12290.6 Ų90.679%0.79251%0.505SS*.  trans-88.5100.2-175.633.3-29.5000111.6S458S458-P460 WeakPolarHBondContact O-CD 3.25Å
461G40.9Very low56Low40 Ų4089.7 Ų89.741%0.41250%0.498SS..  trans-93.9132.1162.800000110.3S459 Y463 R464S459-G461 PolarHBondContact O-N 2.7Å; G461-Y463 PolarHBondContact O-N 3.06Å; G461-Y463 VanDerWaalsContact O-N 3.14Å; G461-R464 WeakPolarHBondContact O-CA 3.47Å; G461-R464 WeakPolarHBondContact O-CB 3.28Å; G461-R464 PolarHBondContact O-N 2.89Å
462G50.9Low58.6Low74 Ų7485 Ų8576%0.76347%0.465SS*.Hα-helixtrans-57.4-28.5-177.200000115.1R464G462-R464 VanDerWaalsContact C-N 3.31Å
463Y49.4Very low61.1Low173 Ų17383.1 Ų83.168%0.67844%0.442SS*.Hα-helixtrans-74.3-20.8174.7-150.1-100.6000113.1G461 Y467G461-Y463 PolarHBondContact O-N 3.06Å; G461-Y463 VanDerWaalsContact O-N 3.14Å; Y463-Y467 HydrophobicContact CD1-CE2 4.27Å; Y463-Y467 AromaticContact CE1-CE2 3.83Å; Y463-Y467 HydrophobicContact CE1-CE2 3.83Å
464R57.1Low63.4Low89 Ų8978.6 Ų78.634%0.33642%0.419SS..Hα-helixtrans-78.6-31.4-177.1-153.3177.9-140.2176.6-0.7112D457 S459 G461 G462D457-R464 IonicContact OD2-CZ 3.69Å; D457-R464 IonicContact OD2-NH1 2.92Å; D457-R464 PolarHBondContact OD2-NH1 2.88Å; D457-R464 IonicContact OD2-NH2 3.48Å; D457-R464 PolarHBondContact OD2-NH2 3.3Å; S459-R464 PolarHBondContact O-NH1 2.83Å; G461-R464 WeakPolarHBondContact O-CA 3.47Å; G461-R464 WeakPolarHBondContact O-CB 3.28Å; G461-R464 PolarHBondContact O-N 2.89Å; G462-R464 VanDerWaalsContact C-N 3.31Å
465R66.1Low66.2Low175 Ų17570.7 Ų70.766%0.6638%0.376SS*.Hα-helixtrans-67.3-35.9176.9-95.5-175.3-178178.6-2.3113.2Y467 E468 D469R465-Y467 PolarHBondContact O-N 2.93Å; R465-E468 PolarHBondContact O-N 3.45Å; R465-D469 WeakPolarHBondContact O-CB 3.16Å; R465-D469 VanDerWaalsContact O-CG 3.25Å; R465-D469 PolarHBondContact O-N 3.31Å
466E76.9Confident68.7Low89 Ų8962.8 Ų62.842%0.41634%0.337SS..Hα-helixtrans-64.9-42.8-174.1-164.9-179.9168.100112.3L470 R616E466-L470 HydrophobicContact CG-CD1 4.33Å; E466-L470 WeakPolarHBondContact O-CB 3.45Å; E466-L470 WeakPolarHBondContact O-CD1 3.3Å; E466-L470 VanDerWaalsContact O-CG 3.24Å; E466-L470 WeakPolarHBondContact O-CG 3.45Å; E466-L470 PolarHBondContact O-N 3.07Å; E466-R616 IonicContact OE1-NH2 3.31Å; E466-R616 PolarHBondContact OE1-NH2 3.48Å
467Y81.3Confident70.9Confident63 Ų6358.9 Ų58.925%0.24732%0.317CS..Hα-helixtrans-71.9-33.1177-76.5-81.3000113.2Y463 R465 F471 Y614 V655 L657Y463-Y467 HydrophobicContact CD1-CE2 4.27Å; Y463-Y467 AromaticContact CE1-CE2 3.83Å; Y463-Y467 HydrophobicContact CE1-CE2 3.83Å; R465-Y467 PolarHBondContact O-N 2.93Å; Y467-F471 WeakPolarHBondContact O-CB 3.28Å; Y467-F471 PolarHBondContact O-N 3.16Å; Y467-Y614 HydrophobicContact CE1-CE1 4.26Å; Y467-V655 HydrophobicContact CE1-CG1 4.49Å; Y467-L657 HydrophobicContact CD1-CD2 3.86Å
468E85.3Confident73.6Confident31 Ų3154.3 Ų54.315%0.14529%0.293CS..Hα-helixtrans-64.1-51.6173.7-176.4-177.7148.600111Y436 R465 L470 F471 F472 K539Y436-E468 PolarHBondContact OH-OE2 3.39Å; R465-E468 PolarHBondContact O-N 3.45Å; E468-L470 VanDerWaalsContact C-N 3.3Å; E468-L470 PolarHBondContact O-N 3.05Å; E468-F471 WeakPolarHBondContact O-CB 3.41Å; E468-F471 PolarHBondContact O-N 3.26Å; E468-F471 VanDerWaalsContact O-N 3.15Å; E468-F472 HydrophobicContact CG-CD2 3.91Å; E468-F472 HydrophobicContact CG-CE2 3.34Å; E468-F472 HydrophobicContact CG-CZ 3.78Å; E468-F472 WeakPolarHBondContact O-CD2 3.32Å; E468-F472 WeakPolarHBondContact O-CG 3.44Å; E468-F472 PolarHBondContact O-N 2.91Å; E468-F472 VanDerWaalsContact OE1-CE2 3.29Å; E468-F472 WeakPolarHBondContact OE1-CE2 3.18Å; E468-K539 IonicContact OE1-NZ 2.88Å; E468-K539 PolarHBondContact OE1-NZ 2.92Å
469D86.9Confident76Confident36 Ų3649.9 Ų49.919%0.19326%0.261CS..Hα-helixtrans-64.9-36179.8-64.7-16.4000111.2R465 F472 R473 Y524R465-D469 WeakPolarHBondContact O-CB 3.16Å; R465-D469 VanDerWaalsContact O-CG 3.25Å; R465-D469 PolarHBondContact O-N 3.31Å; D469-F472 PolarHBondContact O-N 3.19Å; D469-R473 WeakPolarHBondContact O-CB 3.25Å; D469-R473 WeakPolarHBondContact O-CG 3.12Å; D469-R473 PolarHBondContact O-N 3.32Å; D469-Y524 WeakPolarHBondContact CB-OH 3.44Å; D469-Y524 VanDerWaalsContact CG-OH 3.26Å; D469-Y524 PolarHBondContact OD1-OH 3.03Å; D469-Y524 VanDerWaalsContact OD1-OH 3.06Å
470L90Very high78.3Confident8 Ų849 Ų494%0.04225%0.253CS..Hα-helixtrans-63.6-41172.8-81.6167.7000112.7E466 E468 A474 Y614 L657E466-L470 HydrophobicContact CG-CD1 4.33Å; E466-L470 WeakPolarHBondContact O-CB 3.45Å; E466-L470 WeakPolarHBondContact O-CD1 3.3Å; E466-L470 VanDerWaalsContact O-CG 3.24Å; E466-L470 WeakPolarHBondContact O-CG 3.45Å; E466-L470 PolarHBondContact O-N 3.07Å; E468-L470 VanDerWaalsContact C-N 3.3Å; E468-L470 PolarHBondContact O-N 3.05Å; L470-A474 VanDerWaalsContact O-CB 3.31Å; L470-A474 WeakPolarHBondContact O-CB 3.37Å; L470-A474 PolarHBondContact O-N 3.21Å; L470-Y614 HydrophobicContact CD1-CE2 4.15Å; L470-L657 HydrophobicContact CB-CD1 4.44Å; L470-L657 HydrophobicContact CB-CD2 4.23Å
471F92.3Very high80.4Confident0 Ų043.4 Ų43.40%022%0.216CC..Hα-helixtrans-64.2-43.9176.5179.1-93.8000111.7C429 V431 Y467 E468 A474 L475 V612 L657 T660C429-F471 HydrophobicContact CB-CE1 3.95Å; C429-F471 HydrophobicContact CB-CZ 3.98Å; V431-F471 HydrophobicContact CB-CD1 4.49Å; V431-F471 HydrophobicContact CB-CG 4.45Å; V431-F471 HydrophobicContact CG1-CB 3.72Å; V431-F471 HydrophobicContact CG1-CD1 4.32Å; V431-F471 HydrophobicContact CG1-CD2 4.38Å; V431-F471 HydrophobicContact CG1-CG 3.9Å; V431-F471 HydrophobicContact CG2-CB 4.36Å; V431-F471 HydrophobicContact CG2-CD1 3.38Å; V431-F471 HydrophobicContact CG2-CD2 4.25Å; V431-F471 HydrophobicContact CG2-CE1 3.57Å; V431-F471 HydrophobicContact CG2-CE2 4.38Å; V431-F471 HydrophobicContact CG2-CG 3.75Å; V431-F471 HydrophobicContact CG2-CZ 4.05Å; Y467-F471 WeakPolarHBondContact O-CB 3.28Å; Y467-F471 PolarHBondContact O-N 3.16Å; E468-F471 WeakPolarHBondContact O-CB 3.41Å; E468-F471 PolarHBondContact O-N 3.26Å; E468-F471 VanDerWaalsContact O-N 3.15Å; F471-A474 WeakPolarHBondContact O-CB 3.36Å; F471-A474 PolarHBondContact O-N 2.75Å; F471-L475 HydrophobicContact CD1-CD1 4.09Å; F471-L475 HydrophobicContact CE1-CD1 3.48Å; F471-L475 VanDerWaalsContact CE1-CD1 3.48Å; F471-L475 HydrophobicContact CE1-CG 4.37Å; F471-L475 HydrophobicContact CZ-CD1 3.87Å; F471-L475 PolarHBondContact O-N 2.94Å; F471-L475 VanDerWaalsContact O-N 3.11Å; F471-V612 HydrophobicContact CD2-CB 4.04Å; F471-V612 HydrophobicContact CD2-CG1 4.33Å; F471-V612 HydrophobicContact CD2-CG2 4.48Å; F471-V612 HydrophobicContact CE2-CB 3.72Å; F471-V612 HydrophobicContact CE2-CG1 4.42Å; F471-V612 HydrophobicContact CE2-CG2 3.77Å; F471-V612 HydrophobicContact CZ-CG2 4.32Å; F471-L657 HydrophobicContact CB-CB 4.23Å; F471-L657 HydrophobicContact CB-CD1 4.48Å; F471-L657 HydrophobicContact CD2-CB 3.75Å; F471-L657 HydrophobicContact CG-CB 4.49Å; F471-T660 HydrophobicContact CE1-CG2 4.32Å; F471-T660 HydrophobicContact CZ-CG2 3.63Å
472F90.8Very high82.4Confident2 Ų244.8 Ų44.81%0.00921%0.212CC..Hα-helixtrans-66.2-42177.4-66.6-22.7000112.7E468 D469 A474 L475 C476 M519 L522 Y524E468-F472 HydrophobicContact CG-CD2 3.91Å; E468-F472 HydrophobicContact CG-CE2 3.34Å; E468-F472 HydrophobicContact CG-CZ 3.78Å; E468-F472 WeakPolarHBondContact O-CD2 3.32Å; E468-F472 WeakPolarHBondContact O-CG 3.44Å; E468-F472 PolarHBondContact O-N 2.91Å; E468-F472 VanDerWaalsContact OE1-CE2 3.29Å; E468-F472 WeakPolarHBondContact OE1-CE2 3.18Å; D469-F472 PolarHBondContact O-N 3.19Å; F472-A474 VanDerWaalsContact C-N 3.34Å; F472-A474 PolarHBondContact O-N 3.32Å; F472-L475 PolarHBondContact O-N 3.01Å; F472-C476 PolarHBondContact O-N 2.9Å; F472-C476 VanDerWaalsContact O-N 3.15Å; F472-M519 HydrophobicContact CB-CE 3.37Å; F472-M519 HydrophobicContact CB-SD 4.49Å; F472-M519 HydrophobicContact CD1-CE 3.19Å; F472-M519 HydrophobicContact CD1-SD 3.63Å; F472-M519 HydrophobicContact CD2-CE 4.18Å; F472-M519 HydrophobicContact CE1-CE 3.99Å; F472-M519 HydrophobicContact CE1-SD 4.24Å; F472-M519 HydrophobicContact CG-CE 3.31Å; F472-M519 HydrophobicContact CG-SD 4.33Å; F472-L522 HydrophobicContact CE1-CD1 3.82Å; F472-L522 HydrophobicContact CZ-CD1 4.07Å; F472-Y524 HydrophobicContact CB-CD1 4.4Å; F472-Y524 HydrophobicContact CB-CD2 3.68Å; F472-Y524 HydrophobicContact CB-CE1 4.49Å; F472-Y524 HydrophobicContact CB-CE2 3.77Å; F472-Y524 HydrophobicContact CB-CG 4.01Å; F472-Y524 AromaticContact CD2-CD2 3.81Å; F472-Y524 HydrophobicContact CD2-CD2 3.81Å; F472-Y524 AromaticContact CD2-CE2 3.55Å; F472-Y524 HydrophobicContact CD2-CE2 3.55Å; F472-Y524 HydrophobicContact CG-CD2 4.06Å; F472-Y524 HydrophobicContact CG-CE2 4.11Å
473R91.7Very high84Confident62 Ų6242.8 Ų42.823%0.23419%0.185CC..Hα-helixtrans-59.9-43.2170.2-74170.1176.1153.46111.6D469 L475 C476 L477 Y524 I536 E544D469-R473 WeakPolarHBondContact O-CB 3.25Å; D469-R473 WeakPolarHBondContact O-CG 3.12Å; D469-R473 PolarHBondContact O-N 3.32Å; R473-L475 VanDerWaalsContact C-N 3.3Å; R473-L475 PolarHBondContact O-N 3.43Å; R473-C476 PolarHBondContact O-N 3.24Å; R473-L477 HydrophobicContact CB-CD1 4.27Å; R473-L477 VanDerWaalsContact O-CB 3.3Å; R473-L477 WeakPolarHBondContact O-CB 3.47Å; R473-L477 VanDerWaalsContact O-CG 3.23Å; R473-L477 WeakPolarHBondContact O-CG 3.45Å; R473-L477 PolarHBondContact O-N 2.83Å; R473-Y524 HydrophobicContact CG-CE1 4.3Å; R473-I536 HydrophobicContact CG-CD1 3.88Å; R473-E544 IonicContact CZ-OE1 3.56Å; R473-E544 IonicContact CZ-OE2 2.64Å; R473-E544 VanDerWaalsContact CZ-OE2 3.32Å; R473-E544 IonicContact NE-OE1 2.7Å; R473-E544 IonicContact NE-OE2 2.74Å; R473-E544 PolarHBondContact NE-OE2 3.27Å; R473-E544 VanDerWaalsContact NH2-CD 3.32Å; R473-E544 IonicContact NH2-OE1 3.18Å; R473-E544 PolarHBondContact NH2-OE1 3.44Å; R473-E544 IonicContact NH2-OE2 2.77Å; R473-E544 PolarHBondContact NH2-OE2 2.98Å
474A93.3Very high85.1Confident1 Ų139.8 Ų39.81%0.00818%0.176CC..Hα-helixtrans-58.5-41.7179.100000112.1L470 F471 F472 L477 C478 F575 V612 L657L470-A474 VanDerWaalsContact O-CB 3.31Å; L470-A474 WeakPolarHBondContact O-CB 3.37Å; L470-A474 PolarHBondContact O-N 3.21Å; F471-A474 WeakPolarHBondContact O-CB 3.36Å; F471-A474 PolarHBondContact O-N 2.75Å; F472-A474 VanDerWaalsContact C-N 3.34Å; F472-A474 PolarHBondContact O-N 3.32Å; A474-L477 PolarHBondContact O-N 3.39Å; A474-C478 WeakPolarHBondContact O-CB 3.46Å; A474-C478 PolarHBondContact O-N 3.4Å; A474-F575 HydrophobicContact CB-CB 4.29Å; A474-F575 HydrophobicContact CB-CD1 3.28Å; A474-F575 HydrophobicContact CB-CE1 3.7Å; A474-F575 HydrophobicContact CB-CG 3.9Å; A474-V612 HydrophobicContact CB-CG1 3.63Å; A474-L657 HydrophobicContact CB-CD1 4.09Å
475L92.4Very high85.5Confident4 Ų441.6 Ų41.62%0.02119%0.188CC..Hα-helixtrans-69.8-35.6177.5-71.7176.1000113.3F471 F472 R473 H479 L515 M519 V612 T660F471-L475 HydrophobicContact CD1-CD1 4.09Å; F471-L475 HydrophobicContact CE1-CD1 3.48Å; F471-L475 VanDerWaalsContact CE1-CD1 3.48Å; F471-L475 HydrophobicContact CE1-CG 4.37Å; F471-L475 HydrophobicContact CZ-CD1 3.87Å; F471-L475 PolarHBondContact O-N 2.94Å; F471-L475 VanDerWaalsContact O-N 3.11Å; F472-L475 PolarHBondContact O-N 3.01Å; R473-L475 VanDerWaalsContact C-N 3.3Å; R473-L475 PolarHBondContact O-N 3.43Å; L475-H479 PolarHBondContact O-CD2 2.99Å; L475-L515 HydrophobicContact CD2-CD1 4.2Å; L475-L515 HydrophobicContact CD2-CD2 4.21Å; L475-M519 HydrophobicContact CB-CG 3.72Å; L475-M519 HydrophobicContact CB-SD 4.15Å; L475-M519 HydrophobicContact CD1-CG 4.11Å; L475-M519 HydrophobicContact CD1-SD 3.62Å; L475-V612 HydrophobicContact CD2-CG2 3.82Å; L475-V612 HydrophobicContact CG-CG2 4.49Å; L475-T660 HydrophobicContact CD1-CG2 3.73Å; L475-T660 HydrophobicContact CD2-CG2 3.88Å; L475-T660 HydrophobicContact CG-CG2 4.41Å
476C92.5Very high84.9Confident0 Ų038.8 Ų38.80%018%0.182CC..Hα-helixtrans-80.8-10.6176.6-68.70000114.8F472 R473 H479 I536F472-C476 PolarHBondContact O-N 2.9Å; F472-C476 VanDerWaalsContact O-N 3.15Å; R473-C476 PolarHBondContact O-N 3.24Å; C476-H479 PolarHBondContact O-CD2 2.71Å; C476-H479 PolarHBondContact O-NE2 3.34Å; C476-I536 HydrophobicContact CB-CG2 4.05Å
477L92.5Very high83.3Confident0 Ų043.6 Ų43.60%021%0.205CC..Hα-helixtrans-113.7-35.6-178.2-65.8171.5000112.4R473 A474 H479 M534 I536 F546 V565 F575R473-L477 HydrophobicContact CB-CD1 4.27Å; R473-L477 VanDerWaalsContact O-CB 3.3Å; R473-L477 WeakPolarHBondContact O-CB 3.47Å; R473-L477 VanDerWaalsContact O-CG 3.23Å; R473-L477 WeakPolarHBondContact O-CG 3.45Å; R473-L477 PolarHBondContact O-N 2.83Å; A474-L477 PolarHBondContact O-N 3.39Å; L477-H479 VanDerWaalsContact C-N 3.32Å; L477-H479 PolarHBondContact O-N 2.92Å; L477-M534 HydrophobicContact CD2-CB 3.8Å; L477-M534 HydrophobicContact CD2-CE 4.2Å; L477-M534 HydrophobicContact CD2-SD 3.99Å; L477-M534 WeakPolarHBondContact O-CE 3.09Å; L477-I536 HydrophobicContact CD2-CG2 4.02Å; L477-F546 HydrophobicContact CD1-CB 4.49Å; L477-F546 HydrophobicContact CD1-CD1 4Å; L477-F546 HydrophobicContact CD1-CD2 3.86Å; L477-F546 HydrophobicContact CD1-CE1 4.17Å; L477-F546 HydrophobicContact CD1-CE2 4.04Å; L477-F546 HydrophobicContact CD1-CG 3.85Å; L477-F546 HydrophobicContact CD1-CZ 4.19Å; L477-F546 HydrophobicContact CD2-CB 4.05Å; L477-F546 HydrophobicContact CD2-CD2 3.87Å; L477-F546 HydrophobicContact CD2-CG 4.06Å; L477-F546 HydrophobicContact CG-CD2 4.48Å; L477-V565 HydrophobicContact CD1-CG2 4.44Å; L477-F575 HydrophobicContact CB-CD2 4.32Å; L477-F575 HydrophobicContact CD1-CD2 4.35Å; L477-F575 HydrophobicContact CD1-CE2 3.75Å
478C93.5Very high81.4Confident1 Ų145.4 Ų45.41%0.00722%0.223CC..SBendtrans-86.367.2-177.7-170.10000111.3A474 V563 F575 K577A474-C478 WeakPolarHBondContact O-CB 3.46Å; A474-C478 PolarHBondContact O-N 3.4Å; C478-V563 HydrophobicContact CB-CG2 4.34Å; C478-F575 HydrophobicContact CB-CB 3.87Å; C478-K577 VanDerWaalsContact O-CD 3.26Å; C478-K577 WeakPolarHBondContact O-CD 3.46Å; C478-K577 WeakPolarHBondContact O-CE 3.23Å; C478-K577 PolarHBondContact O-NZ 2.79Å
479H91.1Very high79.2Confident9 Ų950.6 Ų50.64%0.04226%0.256CS..SBendtrans-155.5170.4177.763.154.8000112.7L475 C476 L477 V481 E512 V516 Y526L475-H479 PolarHBondContact O-CD2 2.99Å; C476-H479 PolarHBondContact O-CD2 2.71Å; C476-H479 PolarHBondContact O-NE2 3.34Å; L477-H479 VanDerWaalsContact C-N 3.32Å; L477-H479 PolarHBondContact O-N 2.92Å; H479-V481 HydrophobicContact CB-CG2 4.08Å; H479-V481 PolarHBondContact ND1-N 2.96Å; H479-V481 VanDerWaalsContact ND1-N 3.18Å; H479-E512 HydrophobicContact CB-CB 4.48Å; H479-V516 WeakPolarHBondContact CD2-CG2 3.07Å; H479-Y526 AromaticContact CE1-CD1 3.68Å; H479-Y526 AromaticContact CE1-CE1 3.5Å; H479-Y526 VanDerWaalsContact CE1-CE1 3.5Å; H479-Y526 WeakPolarHBondContact CE1-CE1 3.5Å; H479-Y526 AromaticContact CE1-CE2 3.89Å; H479-Y526 AromaticContact CE1-CG 3.92Å; H479-Y526 AromaticContact CE1-CZ 3.6Å; H479-Y526 AromaticContact NE2-CD1 3.79Å; H479-Y526 AromaticContact NE2-CD2 3.92Å; H479-Y526 AromaticContact NE2-CG 3.69Å
480T87Confident76.7Confident51 Ų5156.6 Ų56.631%0.31329%0.288SS..  trans-105.210.3171.259.90000113.9Q482 S507 E512 M561T480-Q482 PolarHBondContact O-N 3.03Å; T480-S507 PolarHBondContact OG1-OG 2.97Å; T480-E512 PolarHBondContact N-OE2 2.68Å; T480-E512 PolarHBondContact OG1-OE2 3.36Å; T480-M561 HydrophobicContact CG2-CE 3.4Å; T480-M561 HydrophobicContact CG2-SD 4.44Å
481V86.9Confident74.3Confident3 Ų359.2 Ų59.22%0.01832%0.317CS..  trans-58.2129.9-179.1179.80000111.3H479 Y505 I506 E512 V516 Y526H479-V481 HydrophobicContact CB-CG2 4.08Å; H479-V481 PolarHBondContact ND1-N 2.96Å; H479-V481 VanDerWaalsContact ND1-N 3.18Å; V481-Y505 HydrophobicContact CG1-CD1 3.66Å; V481-Y505 HydrophobicContact CG1-CG 4.01Å; V481-I506 CarbonylContact C-O 3.59Å; V481-I506 WeakPolarHBondContact CA-O 3.49Å; V481-E512 HydrophobicContact CG2-CB 3.75Å; V481-V516 HydrophobicContact CB-CG2 4.43Å; V481-V516 HydrophobicContact CG2-CG2 3.93Å; V481-Y526 WeakPolarHBondContact O-CE1 3.42Å
482Q82.8Confident71.6Confident69 Ų6967.4 Ų67.432%0.32236%0.359SS..EExtended strand (participates in β ladder)trans-104.3150.2171.8-62.6-177.42.300109.8Y177 T480 I506Y177-Q482 PolarHBondContact OH-NE2 3.07Å; T480-Q482 PolarHBondContact O-N 3.03Å; Q482-I506 PolarHBondContact N-O 3.24Å; Q482-I506 PolarHBondContact O-N 3.08Å
483V83.9Confident69.2Low33 Ų3376.9 Ų76.920%0.240%0.4CS..EExtended strand (participates in β ladder)trans-107.9120.2178.9-171.40000108.2Y505 Y526 L527V483-Y505 HydrophobicContact CG2-CD1 3.85Å; V483-Y505 HydrophobicContact CG2-CE1 3.71Å; V483-Y526 HydrophobicContact CG2-CD1 3.61Å; V483-Y526 HydrophobicContact CG2-CE1 3.53Å; V483-L527 WeakPolarHBondContact CB-O 3.26Å; V483-L527 WeakPolarHBondContact CG1-O 3.47Å; V483-L527 WeakPolarHBondContact CG2-O 3.25Å
484K73.2Confident66.4Low109 Ų10985.7 Ų85.747%0.47443%0.434SS..EExtended strand (participates in β ladder)trans-96116.4170.6-166.5167-175.7167.20107.9F504 I506K484-F504 PolarHBondContact N-O 3.16Å; K484-F504 PolarHBondContact O-N 2.87Å; K484-I506 HydrophobicContact CB-CD1 3.7Å; K484-I506 HydrophobicContact CB-CG1 4.48Å; K484-I506 HydrophobicContact CD-CD1 3.81Å; K484-I506 HydrophobicContact CG-CD1 4.39Å
485E65.8Low63.5Low128 Ų12888.8 Ų88.860%0.59847%0.466SS*.  trans-75.8126.2171.9-66.5-178.9-178.400108E487E485-E487 PolarHBondContact O-N 2.89Å
486E52.3Low60.8Low116 Ų11696.2 Ų96.254%0.54250%0.503SS..  trans-74.6115.4173.8-160.7172-156.900107.7T488 T502E486-T488 PolarHBondContact O-N 2.68Å; E486-T502 PolarHBondContact OE2-OG1 2.74Å
487E44.5Very low58Low189 Ų189105.3 Ų105.388%0.88355%0.546SS*.  trans-67.387.8165.1-73.6-173173.700107.1E485 V489E485-E487 PolarHBondContact O-N 2.89Å; E487-V489 PolarHBondContact O-N 2.56Å
488T39.7Very low55.1Low102 Ų102114.5 Ų114.563%0.62659%0.588SS**  trans-63.5102.7172.252.40000107.8E486 D490E486-T488 PolarHBondContact O-N 2.68Å; T488-D490 PolarHBondContact O-N 3.17Å
489V39.7Very low52.2Low139 Ų139118.4 Ų118.484%0.84263%0.629SS**  trans-54.3129.9165.3-177.60000107.6E487 G491E487-V489 PolarHBondContact O-N 2.56Å; V489-G491 PolarHBondContact O-N 3.29Å
490D35.5Very low50Low162 Ų162125.8 Ų125.887%0.86666%0.657SS**SBendtrans-38.1122.2-177.8-83.2-44.6000114.2T488T488-D490 PolarHBondContact O-N 3.17Å
491G38.4Very low48Very low63 Ų63127.9 Ų127.965%0.64967%0.671SS**  trans77110.5152.600000117.3V489V489-G491 PolarHBondContact O-N 3.29Å
492I36.1Very low46.3Very low172 Ų172132 Ų13288%0.88270%0.697SS**  -172.2125.9112.1-87.5147.9000109R494I492-R494 PolarHBondContact O-N 2.55Å
493K41Very low45.4Very low202 Ų202130.2 Ų130.288%0.87869%0.691SS**  trans-53.7124.4176.9-65.4169.6176175.30112.3
494R31.4Very low45.1Very low247 Ų247135.1 Ų135.193%0.93271%0.71SS**  trans-125.8131.5137.8-78.3-170.2175.6-178.70.1108.7I492I492-R494 PolarHBondContact O-N 2.55Å
495G32.9Very low45.6Very low66 Ų66130.1 Ų130.168%0.6869%0.688SS**  trans-68.8158.9-15500000116.8
496I35.9Very low46.1Very low159 Ų159125.3 Ų125.382%0.81567%0.667SS**SBendtrans65.156.8153.7-35.2176.6000115.7
497H33.3Very low47.3Very low191 Ų191120.6 Ų120.688%0.88465%0.647SS**SBendtrans-145.4130.3138.6-76.1-60.9000108G499H497-G499 PolarHBondContact O-N 2.99Å
498Q33.1Very low48.3Very low193 Ų193114.3 Ų114.390%0.90262%0.624SS**  trans-60.2116.5-175.5-72.8169.6-21.600111.6R500Q498-R500 VanDerWaalsContact C-N 3.31Å; Q498-R500 PolarHBondContact O-N 3.21Å
499G32.1Very low49.9Very low84 Ų84111.2 Ų111.287%0.86661%0.606SS**SBendtrans40.926131.900000122.3H497H497-G499 PolarHBondContact O-N 2.99Å
500R44.7Very low51.7Low164 Ų164107 Ų10762%0.61958%0.582SS**  trans-102.2127.1165.7-75.7-175.6176.7-178.8-1.8108.9Q498 T502 D541Q498-R500 VanDerWaalsContact C-N 3.31Å; Q498-R500 PolarHBondContact O-N 3.21Å; R500-T502 PolarHBondContact O-N 2.64Å; R500-D541 IonicContact CZ-OD1 2.87Å; R500-D541 IonicContact NH2-OD1 3.43Å; R500-D541 PolarHBondContact NH2-OD1 3.32Å; R500-D541 IonicContact NH2-OD2 2.73Å
501P44.6Very low53.9Low94 Ų94100.8 Ų100.861%0.6155%0.548SS*.  trans-56.3133.2171.923.9-31.5000108.7S503P501-S503 VanDerWaalsContact C-N 3.3Å; P501-S503 PolarHBondContact O-N 2.7Å
502T51.4Low56.2Low91 Ų9198.5 Ų98.556%0.55852%0.521SS*.  trans-69.889.4173.629.80000108.4E486 R500E486-T502 PolarHBondContact OE2-OG1 2.74Å; R500-T502 PolarHBondContact O-N 2.64Å
503S64.9Low58.6Low30 Ų3091.4 Ų91.421%0.2149%0.486CS..PPolyproline II helixtrans-74129.2172.352.40000110.3P501P501-S503 VanDerWaalsContact C-N 3.3Å; P501-S503 PolarHBondContact O-N 2.7Å
504F76Confident60.8Low136 Ų13682 Ų8260%0.59645%0.445SS*.EExtended strand (participates in β ladder)trans-100.5132.6174.6-161.1-88.2000109.8K484 I506K484-F504 PolarHBondContact N-O 3.16Å; K484-F504 PolarHBondContact O-N 2.87Å; F504-I506 HydrophobicContact CD1-CG1 3.92Å; F504-I506 HydrophobicContact CE1-CG1 4.5Å
505Y84.6Confident63.7Low4 Ų470.3 Ų70.32%0.01640%0.401CS..EExtended strand (participates in β ladder)trans-89.9131.5178.4-67.1-59000110.4V481 V483 V516 E517 K520 T525 Y526V481-Y505 HydrophobicContact CG1-CD1 3.66Å; V481-Y505 HydrophobicContact CG1-CG 4.01Å; V483-Y505 HydrophobicContact CG2-CD1 3.85Å; V483-Y505 HydrophobicContact CG2-CE1 3.71Å; Y505-V516 HydrophobicContact CD1-CG1 4.05Å; Y505-V516 HydrophobicContact CD2-CG1 4.16Å; Y505-V516 HydrophobicContact CE1-CG1 3.81Å; Y505-V516 HydrophobicContact CE2-CG1 3.9Å; Y505-V516 HydrophobicContact CG-CG1 4.23Å; Y505-E517 HydrophobicContact CD2-CG 3.72Å; Y505-E517 HydrophobicContact CE2-CG 4.29Å; Y505-K520 HydrophobicContact CE2-CD 4.06Å; Y505-T525 WeakPolarHBondContact OH-CG2 3.3Å; Y505-Y526 HydrophobicContact CE1-CD1 4.05Å; Y505-Y526 WeakPolarHBondContact CE1-O 3.16Å; Y505-Y526 PolarHBondContact OH-O 3.29Å
506I75.3Confident66.4Low27 Ų2767.1 Ų67.114%0.13837%0.369CS..EExtended strand (participates in β ladder)trans-126.2127.1-178.6-55.1178.7000108.1H189 V481 Q482 K484 F504H189-I506 WeakPolarHBondContact CD2-CG2 3.27Å; H189-I506 WeakPolarHBondContact NE2-CG2 3.35Å; V481-I506 CarbonylContact C-O 3.59Å; V481-I506 WeakPolarHBondContact CA-O 3.49Å; Q482-I506 PolarHBondContact N-O 3.24Å; Q482-I506 PolarHBondContact O-N 3.08Å; K484-I506 HydrophobicContact CB-CD1 3.7Å; K484-I506 HydrophobicContact CB-CG1 4.48Å; K484-I506 HydrophobicContact CD-CD1 3.81Å; K484-I506 HydrophobicContact CG-CD1 4.39Å; F504-I506 HydrophobicContact CD1-CG1 3.92Å; F504-I506 HydrophobicContact CE1-CG1 4.5Å
507S77.8Confident68.9Low18 Ų1862.8 Ų62.813%0.12635%0.345CS..  trans-143.8164173.8-173.80000111.4T480 S509 E512T480-S507 PolarHBondContact OG1-OG 2.97Å; S507-S509 PolarHBondContact OG-N 3.29Å; S507-E512 PolarHBondContact OG-OE2 2.92Å
508S65.4Low71.5Confident57 Ų5753.7 Ų53.740%0.39930%0.303SS..SBendtrans-69.5-18.9168.561.40000112.5S188 H189S188-S508 WeakPolarHBondContact CB-O 3.05Å; H189-S508 WeakPolarHBondContact O-CB 3.18Å
509S74.4Confident74.1Confident37 Ų3744.5 Ų44.526%0.25926%0.26SS..  trans-124.6124.2177.8169.60000111.4S507 D511 E512 V513S507-S509 PolarHBondContact OG-N 3.29Å; S509-D511 PolarHBondContact O-N 3.29Å; S509-D511 PolarHBondContact OG-N 3.13Å; S509-E512 WeakPolarHBondContact O-CB 2.96Å; S509-E512 PolarHBondContact O-N 2.96Å; S509-E512 VanDerWaalsContact O-N 3.12Å; S509-V513 PolarHBondContact O-N 3.04Å
510P76.5Confident76.6Confident51 Ų5144.7 Ų44.733%0.33124%0.237SC..Hα-helixtrans-66.1-27.5178.327.5-34000112.1M424 E512 V513 A514M424-P510 HydrophobicContact CG-CB 3.93Å; M424-P510 HydrophobicContact CG-CG 4.12Å; P510-E512 PolarHBondContact O-N 3.41Å; P510-V513 PolarHBondContact O-N 3.48Å; P510-A514 WeakPolarHBondContact O-CB 2.99Å; P510-A514 PolarHBondContact O-N 2.96Å
511D81.7Confident78.4Confident31 Ų3142.3 Ų42.317%0.16623%0.228CC..Hα-helixtrans-59.1-38.5173.4-642.7000110.4M424 S509 L515 R608M424-D511 WeakPolarHBondContact CG-OD1 3.32Å; S509-D511 PolarHBondContact O-N 3.29Å; S509-D511 PolarHBondContact OG-N 3.13Å; D511-L515 WeakPolarHBondContact O-CG 3.27Å; D511-L515 PolarHBondContact O-N 3.39Å; D511-L515 VanDerWaalsContact O-N 3.08Å; D511-R608 IonicContact OD1-NH1 3.32Å; D511-R608 PolarHBondContact OD1-NH1 3.07Å; D511-R608 IonicContact OD2-NH1 3.18Å
512E86.8Confident80.1Confident14 Ų1438.7 Ų38.77%0.06520%0.204CC..Hα-helixtrans-69.7-39.9177.8-58.4-162.5139.400112.7H479 T480 V481 S507 S509 P510 A514 L515 V516 M561 K577H479-E512 HydrophobicContact CB-CB 4.48Å; T480-E512 PolarHBondContact N-OE2 2.68Å; T480-E512 PolarHBondContact OG1-OE2 3.36Å; V481-E512 HydrophobicContact CG2-CB 3.75Å; S507-E512 PolarHBondContact OG-OE2 2.92Å; S509-E512 WeakPolarHBondContact O-CB 2.96Å; S509-E512 PolarHBondContact O-N 2.96Å; S509-E512 VanDerWaalsContact O-N 3.12Å; P510-E512 PolarHBondContact O-N 3.41Å; E512-A514 VanDerWaalsContact C-N 3.35Å; E512-L515 PolarHBondContact O-N 3.05Å; E512-V516 WeakPolarHBondContact O-CG2 3.32Å; E512-V516 PolarHBondContact O-N 3.42Å; E512-M561 VanDerWaalsContact OE1-SD 3.39Å; E512-K577 VanDerWaalsContact OE1-CE 3.31Å; E512-K577 WeakPolarHBondContact OE1-CE 3.39Å; E512-K577 IonicContact OE1-NZ 2.7Å; E512-K577 PolarHBondContact OE1-NZ 3.08Å
513V87.2Confident81.5Confident24 Ų2435.9 Ų35.915%0.14519%0.193CC..Hα-helixtrans-61.1-48.2176.6178.50000109.6S509 P510 L515 V516 E517S509-V513 PolarHBondContact O-N 3.04Å; P510-V513 PolarHBondContact O-N 3.48Å; V513-L515 VanDerWaalsContact C-N 3.3Å; V513-L515 PolarHBondContact O-N 2.62Å; V513-V516 PolarHBondContact O-N 3.17Å; V513-E517 HydrophobicContact CG1-CG 4.27Å; V513-E517 WeakPolarHBondContact O-CB 3.36Å; V513-E517 WeakPolarHBondContact O-CG 3.37Å; V513-E517 PolarHBondContact O-N 2.92Å
514A87.9Confident82.6Confident3 Ų334.8 Ų34.83%0.02518%0.184CC..Hα-helixtrans-58.7-40.8177.900000112.4M424 F426 P510 E512 G518 V662M424-A514 HydrophobicContact CB-CB 3.68Å; M424-A514 VanDerWaalsContact O-CB 3.23Å; M424-A514 WeakPolarHBondContact O-CB 3.38Å; F426-A514 WeakPolarHBondContact CB-O 3.18Å; P510-A514 WeakPolarHBondContact O-CB 2.99Å; P510-A514 PolarHBondContact O-N 2.96Å; E512-A514 VanDerWaalsContact C-N 3.35Å; A514-G518 PolarHBondContact O-N 2.91Å; A514-V662 HydrophobicContact CB-CG1 4.22Å
515L90.8Very high83.2Confident2 Ų229 Ų291%0.0116%0.16CC..Hα-helixtrans-64.3-47.8176.6-70.8171.3000112F426 L475 D511 E512 V513 G518 M519 L610 T660 V662F426-L515 HydrophobicContact CD2-CD2 3.68Å; F426-L515 HydrophobicContact CE2-CD2 3.89Å; L475-L515 HydrophobicContact CD2-CD1 4.2Å; L475-L515 HydrophobicContact CD2-CD2 4.21Å; D511-L515 WeakPolarHBondContact O-CG 3.27Å; D511-L515 PolarHBondContact O-N 3.39Å; D511-L515 VanDerWaalsContact O-N 3.08Å; E512-L515 PolarHBondContact O-N 3.05Å; V513-L515 VanDerWaalsContact C-N 3.3Å; V513-L515 PolarHBondContact O-N 2.62Å; L515-G518 PolarHBondContact O-N 2.8Å; L515-M519 WeakPolarHBondContact O-CG 3.39Å; L515-M519 PolarHBondContact O-N 3.16Å; L515-L610 HydrophobicContact CD1-CD1 4.03Å; L515-T660 HydrophobicContact CD2-CG2 3.77Å; L515-V662 HydrophobicContact CD2-CG2 3.98Å; L515-V662 HydrophobicContact CG-CG2 4.4Å
516V90.6Very high83.5Confident0 Ų029 Ų290%016%0.16CC..Hα-helixtrans-67.9-39.1-179.6176.40000111.5H479 V481 Y505 E512 V513 M519 K520H479-V516 WeakPolarHBondContact CD2-CG2 3.07Å; V481-V516 HydrophobicContact CB-CG2 4.43Å; V481-V516 HydrophobicContact CG2-CG2 3.93Å; Y505-V516 HydrophobicContact CD1-CG1 4.05Å; Y505-V516 HydrophobicContact CD2-CG1 4.16Å; Y505-V516 HydrophobicContact CE1-CG1 3.81Å; Y505-V516 HydrophobicContact CE2-CG1 3.9Å; Y505-V516 HydrophobicContact CG-CG1 4.23Å; E512-V516 WeakPolarHBondContact O-CG2 3.32Å; E512-V516 PolarHBondContact O-N 3.42Å; V513-V516 PolarHBondContact O-N 3.17Å; V516-M519 PolarHBondContact O-N 2.84Å; V516-K520 PolarHBondContact O-N 2.86Å
517E87.9Confident84.1Confident67 Ų6730.3 Ų30.331%0.31317%0.167SC..Hα-helixtrans-64.8-40.8172.5-74.5-173.2173.200112.3Y505 V513 M519 K520 R521Y505-E517 HydrophobicContact CD2-CG 3.72Å; Y505-E517 HydrophobicContact CE2-CG 4.29Å; V513-E517 HydrophobicContact CG1-CG 4.27Å; V513-E517 WeakPolarHBondContact O-CB 3.36Å; V513-E517 WeakPolarHBondContact O-CG 3.37Å; V513-E517 PolarHBondContact O-N 2.92Å; E517-M519 VanDerWaalsContact C-N 3.29Å; E517-M519 PolarHBondContact O-N 2.73Å; E517-K520 WeakPolarHBondContact O-CB 3.45Å; E517-K520 PolarHBondContact O-N 3.26Å; E517-R521 PolarHBondContact O-N 2.99Å
518G87.2Confident84.5Confident1 Ų134 Ų341%0.0118%0.178CC..Hα-helixtrans-58.5-42.8172.600000111.8A514 L515 R521 L522A514-G518 PolarHBondContact O-N 2.91Å; L515-G518 PolarHBondContact O-N 2.8Å; G518-R521 WeakPolarHBondContact O-CB 3.44Å; G518-R521 PolarHBondContact O-N 3.19Å; G518-L522 PolarHBondContact O-N 2.98Å
519M88.1Confident85.4Confident0 Ų035.3 Ų35.30%018%0.18CC..Hα-helixtrans-65.8-38.2176.8-74-45.4-46.400113.4F472 L475 L515 V516 E517 R521 L522 G523 Y524F472-M519 HydrophobicContact CB-CE 3.37Å; F472-M519 HydrophobicContact CB-SD 4.49Å; F472-M519 HydrophobicContact CD1-CE 3.19Å; F472-M519 HydrophobicContact CD1-SD 3.63Å; F472-M519 HydrophobicContact CD2-CE 4.18Å; F472-M519 HydrophobicContact CE1-CE 3.99Å; F472-M519 HydrophobicContact CE1-SD 4.24Å; F472-M519 HydrophobicContact CG-CE 3.31Å; F472-M519 HydrophobicContact CG-SD 4.33Å; L475-M519 HydrophobicContact CB-CG 3.72Å; L475-M519 HydrophobicContact CB-SD 4.15Å; L475-M519 HydrophobicContact CD1-CG 4.11Å; L475-M519 HydrophobicContact CD1-SD 3.62Å; L515-M519 WeakPolarHBondContact O-CG 3.39Å; L515-M519 PolarHBondContact O-N 3.16Å; V516-M519 PolarHBondContact O-N 2.84Å; E517-M519 VanDerWaalsContact C-N 3.29Å; E517-M519 PolarHBondContact O-N 2.73Å; M519-R521 PolarHBondContact O-N 3.25Å; M519-L522 HydrophobicContact CE-CB 4.15Å; M519-L522 HydrophobicContact CE-CD1 4.31Å; M519-L522 CarbonylContact O-C 3.59Å; M519-L522 WeakPolarHBondContact O-CA 3.23Å; M519-L522 PolarHBondContact O-N 3.28Å; M519-L522 HydrophobicContact SD-CD1 4.14Å; M519-G523 PolarHBondContact O-N 3.39Å; M519-Y524 CarbonylContact C-O 3.49Å; M519-Y524 HydrophobicContact CE-CD2 4.16Å; M519-Y524 HydrophobicContact CE-CG 4.28Å; M519-Y524 PolarHBondContact O-N 3.01Å
520K85.9Confident85.7Confident88 Ų8838.7 Ų38.738%0.38319%0.19SC..Hα-helixtrans-57.3-36.1173.2-177.8176179.8176.20111.7Y505 V516 E517 G523 Y524 T525Y505-K520 HydrophobicContact CE2-CD 4.06Å; V516-K520 PolarHBondContact O-N 2.86Å; E517-K520 WeakPolarHBondContact O-CB 3.45Å; E517-K520 PolarHBondContact O-N 3.26Å; K520-G523 PolarHBondContact O-N 3.18Å; K520-Y524 VanDerWaalsContact CA-O 3.22Å; K520-Y524 WeakPolarHBondContact CA-O 3.27Å; K520-Y524 PolarHBondContact N-O 3.37Å; K520-T525 HydrophobicContact CD-CG2 4.27Å; K520-T525 HydrophobicContact CG-CG2 4.17Å
521R81.8Confident86Confident114 Ų11442.3 Ų42.343%0.4321%0.206SC..Hα-helixtrans-69.6-30.9175-61.2174.3-172.7-177.71.8112.7E425 H439 E517 G518 M519 G523E425-R521 IonicContact OE1-CZ 3.1Å; E425-R521 IonicContact OE1-NH1 3.96Å; E425-R521 PolarHBondContact OE1-NH1 3.45Å; E425-R521 IonicContact OE1-NH2 3.93Å; H439-R521 PolarHBondContact CE1-NH1 3.23Å; E517-R521 PolarHBondContact O-N 2.99Å; G518-R521 WeakPolarHBondContact O-CB 3.44Å; G518-R521 PolarHBondContact O-N 3.19Å; M519-R521 PolarHBondContact O-N 3.25Å; R521-G523 VanDerWaalsContact C-N 3.3Å
522L80.1Confident86.1Confident18 Ų1846 Ų469%0.09423%0.226CC..THydrogen-bonded Turntrans-85.54.8177.9-67.1176.6000114.1F426 P438 F472 G518 M519 K539F426-L522 HydrophobicContact CE1-CD1 4Å; P438-L522 HydrophobicContact CB-CD2 4.25Å; P438-L522 HydrophobicContact CB-CG 4.48Å; P438-L522 HydrophobicContact CG-CD1 4.23Å; P438-L522 HydrophobicContact CG-CD2 4.19Å; P438-L522 HydrophobicContact CG-CG 4.25Å; F472-L522 HydrophobicContact CE1-CD1 3.82Å; F472-L522 HydrophobicContact CZ-CD1 4.07Å; G518-L522 PolarHBondContact O-N 2.98Å; M519-L522 HydrophobicContact CE-CB 4.15Å; M519-L522 HydrophobicContact CE-CD1 4.31Å; M519-L522 CarbonylContact O-C 3.59Å; M519-L522 WeakPolarHBondContact O-CA 3.23Å; M519-L522 PolarHBondContact O-N 3.28Å; M519-L522 HydrophobicContact SD-CD1 4.14Å; L522-K539 WeakPolarHBondContact O-CE 3.33Å
523G80.7Confident86.3Confident32 Ų3250 Ų5033%0.3324%0.241SC..THydrogen-bonded Turntrans94.55.6175.500000115.5M519 K520 R521 N538 K539M519-G523 PolarHBondContact O-N 3.39Å; K520-G523 PolarHBondContact O-N 3.18Å; R521-G523 VanDerWaalsContact C-N 3.3Å; G523-N538 CarbonylContact O-C 3.53Å; G523-K539 PolarHBondContact O-N 2.98Å
524Y87.4Confident86.4Confident6 Ų649.1 Ų49.12%0.02424%0.236CC..  trans-109.6115.6172.2-80.8-95.7000110.4D469 F472 R473 M519 K520 L537 N538 K539D469-Y524 WeakPolarHBondContact CB-OH 3.44Å; D469-Y524 VanDerWaalsContact CG-OH 3.26Å; D469-Y524 PolarHBondContact OD1-OH 3.03Å; D469-Y524 VanDerWaalsContact OD1-OH 3.06Å; F472-Y524 HydrophobicContact CB-CD1 4.4Å; F472-Y524 HydrophobicContact CB-CD2 3.68Å; F472-Y524 HydrophobicContact CB-CE1 4.49Å; F472-Y524 HydrophobicContact CB-CE2 3.77Å; F472-Y524 HydrophobicContact CB-CG 4.01Å; F472-Y524 AromaticContact CD2-CD2 3.81Å; F472-Y524 HydrophobicContact CD2-CD2 3.81Å; F472-Y524 AromaticContact CD2-CE2 3.55Å; F472-Y524 HydrophobicContact CD2-CE2 3.55Å; F472-Y524 HydrophobicContact CG-CD2 4.06Å; F472-Y524 HydrophobicContact CG-CE2 4.11Å; R473-Y524 HydrophobicContact CG-CE1 4.3Å; M519-Y524 CarbonylContact C-O 3.49Å; M519-Y524 HydrophobicContact CE-CD2 4.16Å; M519-Y524 HydrophobicContact CE-CG 4.28Å; M519-Y524 PolarHBondContact O-N 3.01Å; K520-Y524 VanDerWaalsContact CA-O 3.22Å; K520-Y524 WeakPolarHBondContact CA-O 3.27Å; K520-Y524 PolarHBondContact N-O 3.37Å; Y524-L537 WeakPolarHBondContact CA-O 3.24Å; Y524-N538 HydrophobicContact CD1-CB 4.47Å; Y524-N538 HydrophobicContact CE1-CB 3.95Å; Y524-K539 HydrophobicContact CD2-CD 4.5Å; Y524-K539 HydrophobicContact CD2-CG 4.01Å; Y524-K539 HydrophobicContact CE2-CD 3.84Å; Y524-K539 HydrophobicContact CE2-CG 3.65Å
525T89.5Confident86.6Confident14 Ų1449.4 Ų49.49%0.08624%0.237CC..EExtended strand (participates in β ladder)trans-112.6119.4-177.6-52.50000110.7Y505 K520 L527 L537Y505-T525 WeakPolarHBondContact OH-CG2 3.3Å; K520-T525 HydrophobicContact CD-CG2 4.27Å; K520-T525 HydrophobicContact CG-CG2 4.17Å; T525-L527 HydrophobicContact CG2-CD2 4.26Å; T525-L527 PolarHBondContact O-N 3.35Å; T525-L537 PolarHBondContact N-O 3.09Å; T525-L537 PolarHBondContact O-N 3.45Å
526Y91Very high86.6Confident6 Ų649.3 Ų49.32%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-72.3126.5167.7176.3-113.7000109.8H479 V481 V483 Y505 L529 M534 I536H479-Y526 AromaticContact CE1-CD1 3.68Å; H479-Y526 AromaticContact CE1-CE1 3.5Å; H479-Y526 VanDerWaalsContact CE1-CE1 3.5Å; H479-Y526 WeakPolarHBondContact CE1-CE1 3.5Å; H479-Y526 AromaticContact CE1-CE2 3.89Å; H479-Y526 AromaticContact CE1-CG 3.92Å; H479-Y526 AromaticContact CE1-CZ 3.6Å; H479-Y526 AromaticContact NE2-CD1 3.79Å; H479-Y526 AromaticContact NE2-CD2 3.92Å; H479-Y526 AromaticContact NE2-CG 3.69Å; V481-Y526 WeakPolarHBondContact O-CE1 3.42Å; V483-Y526 HydrophobicContact CG2-CD1 3.61Å; V483-Y526 HydrophobicContact CG2-CE1 3.53Å; Y505-Y526 HydrophobicContact CE1-CD1 4.05Å; Y505-Y526 WeakPolarHBondContact CE1-O 3.16Å; Y505-Y526 PolarHBondContact OH-O 3.29Å; Y526-L529 WeakPolarHBondContact OH-CB 3.32Å; Y526-L529 PolarHBondContact OH-N 2.92Å; Y526-M534 HydrophobicContact CD2-CE 4.36Å; Y526-M534 HydrophobicContact CE2-CB 4.32Å; Y526-M534 HydrophobicContact CE2-CE 3.6Å; Y526-I536 HydrophobicContact CD2-CG2 4.15Å
527L87.8Confident86.6Confident53 Ų5350.2 Ų50.228%0.27724%0.241SC..EExtended strand (participates in β ladder)trans-96.9-57.2-174.4-62.2176.9000112V483 T525 E535 L537 I543V483-L527 WeakPolarHBondContact CB-O 3.26Å; V483-L527 WeakPolarHBondContact CG1-O 3.47Å; V483-L527 WeakPolarHBondContact CG2-O 3.25Å; T525-L527 HydrophobicContact CG2-CD2 4.26Å; T525-L527 PolarHBondContact O-N 3.35Å; L527-E535 HydrophobicContact CB-CB 4.21Å; L527-E535 WeakPolarHBondContact CB-O 3.26Å; L527-E535 HydrophobicContact CD1-CB 4.43Å; L527-E535 PolarHBondContact N-O 3.25Å; L527-L537 HydrophobicContact CD1-CB 4.3Å; L527-L537 HydrophobicContact CD2-CB 4.4Å; L527-L537 HydrophobicContact CG-CB 4.35Å; L527-I543 HydrophobicContact CD1-CD1 4.31Å; L527-I543 HydrophobicContact CD1-CG1 4.17Å; L527-I543 HydrophobicContact CD1-CG2 4.42Å
528R85.6Confident86.5Confident95 Ų9547.5 Ų47.536%0.35823%0.228SC..EExtended strand (participates in β ladder)trans-174.2167.9-178.758.4-174.8178.9-161.7-4.9112.5E535R528-E535 IonicContact CZ-OE2 2.64Å; R528-E535 IonicContact NE-OE2 3.27Å; R528-E535 PolarHBondContact NE-OE2 3.25Å; R528-E535 IonicContact NH2-OE2 3.82Å; R528-E535 PolarHBondContact NH2-OE2 2.87Å; R528-E535 PolarHBondContact O-N 3.22Å
529L84.5Confident86.2Confident86 Ų8651.7 Ų51.745%0.4525%0.247SC..EExtended strand (participates in β ladder)trans-106.2116.9163.9176.269.5000108.3Y526 Y533 M534 L548Y526-L529 WeakPolarHBondContact OH-CB 3.32Å; Y526-L529 PolarHBondContact OH-N 2.92Å; L529-Y533 WeakPolarHBondContact CA-O 3.45Å; L529-M534 HydrophobicContact CD1-CG 3.63Å; L529-L548 HydrophobicContact CD1-CB 4.25Å; L529-L548 HydrophobicContact CD1-CD2 3.88Å; L529-L548 HydrophobicContact CD2-CD2 4.11Å
530K81.7Confident85.8Confident107 Ų10758 Ų5847%0.46528%0.28SS..EExtended strand (participates in β ladder)trans-135.1129179.4-174.7-178.3176.6-179.30110.4N532 Y533K530-N532 VanDerWaalsContact C-N 3.26Å; K530-N532 PolarHBondContact O-N 3.34Å; K530-Y533 PolarHBondContact N-O 3.09Å; K530-Y533 WeakPolarHBondContact O-CA 3.2Å; K530-Y533 WeakPolarHBondContact O-CB 3.33Å; K530-Y533 PolarHBondContact O-N 3.41Å
531D82Confident85.6Confident127 Ų12758.6 Ų58.668%0.67929%0.288SS*.THydrogen-bonded Turntrans52.840.7177.8-54.1-42000113.2Y533D531-Y533 WeakPolarHBondContact O-CD2 3.41Å; D531-Y533 PolarHBondContact O-N 3.07Å
532N84.3Confident85.9Confident108 Ų10859.1 Ų59.158%0.57830%0.295SS*.THydrogen-bonded Turntrans64.49.4-170.8-64.3-20.6000116.1K530 L548K530-N532 VanDerWaalsContact C-N 3.26Å; K530-N532 PolarHBondContact O-N 3.34Å; N532-L548 WeakPolarHBondContact O-CB 3.46Å; N532-L548 PolarHBondContact O-N 2.64Å
533Y89.6Confident86.3Confident99 Ų9962.9 Ų62.939%0.38831%0.314SS..EExtended strand (participates in β ladder)trans-102.1125.8172.2-68.7-91.3000111.3L529 K530 D531 R545 F546 E547L529-Y533 WeakPolarHBondContact CA-O 3.45Å; K530-Y533 PolarHBondContact N-O 3.09Å; K530-Y533 WeakPolarHBondContact O-CA 3.2Å; K530-Y533 WeakPolarHBondContact O-CB 3.33Å; K530-Y533 PolarHBondContact O-N 3.41Å; D531-Y533 WeakPolarHBondContact O-CD2 3.41Å; D531-Y533 PolarHBondContact O-N 3.07Å; Y533-R545 HydrophobicContact CD1-CB 4.44Å; Y533-F546 CarbonylContact C-O 3.6Å; Y533-F546 VanDerWaalsContact CA-O 3.3Å; Y533-F546 WeakPolarHBondContact CA-O 3.49Å; Y533-E547 HydrophobicContact CD1-CB 4.01Å; Y533-E547 HydrophobicContact CE1-CB 3.66Å; Y533-E547 HydrophobicContact CE1-CG 4.02Å
534M90.6Very high86.8Confident5 Ų562.6 Ų62.63%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-83.7122.4168.2-64.2-175.879.300109.1L477 Y526 L529 R545 F546 L548L477-M534 HydrophobicContact CD2-CB 3.8Å; L477-M534 HydrophobicContact CD2-CE 4.2Å; L477-M534 HydrophobicContact CD2-SD 3.99Å; L477-M534 WeakPolarHBondContact O-CE 3.09Å; Y526-M534 HydrophobicContact CD2-CE 4.36Å; Y526-M534 HydrophobicContact CE2-CB 4.32Å; Y526-M534 HydrophobicContact CE2-CE 3.6Å; L529-M534 HydrophobicContact CD1-CG 3.63Å; M534-R545 WeakPolarHBondContact O-CA 3.48Å; M534-F546 PolarHBondContact N-O 2.86Å; M534-F546 PolarHBondContact O-N 2.98Å; M534-L548 HydrophobicContact CG-CB 4.31Å; M534-L548 HydrophobicContact SD-CD1 4.09Å; M534-L548 HydrophobicContact SD-CD2 4.5Å
535E91.4Very high87Confident9 Ų968.5 Ų68.54%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-101.7123.6177.2-57.2-168.2132.500109.7L527 R528 I543 E544 R545L527-E535 HydrophobicContact CB-CB 4.21Å; L527-E535 WeakPolarHBondContact CB-O 3.26Å; L527-E535 HydrophobicContact CD1-CB 4.43Å; L527-E535 PolarHBondContact N-O 3.25Å; R528-E535 IonicContact CZ-OE2 2.64Å; R528-E535 IonicContact NE-OE2 3.27Å; R528-E535 PolarHBondContact NE-OE2 3.25Å; R528-E535 IonicContact NH2-OE2 3.82Å; R528-E535 PolarHBondContact NH2-OE2 2.87Å; R528-E535 PolarHBondContact O-N 3.22Å; E535-I543 HydrophobicContact CB-CG2 4.19Å; E535-E544 WeakPolarHBondContact CA-O 3.24Å; E535-R545 HydrophobicContact CG-CG 4.28Å; E535-R545 IonicContact OE1-CZ 2.84Å; E535-R545 VanDerWaalsContact OE1-CZ 3.24Å; E535-R545 IonicContact OE1-NE 3.47Å; E535-R545 PolarHBondContact OE1-NE 3.23Å; E535-R545 IonicContact OE1-NH2 3.93Å; E535-R545 PolarHBondContact OE1-NH2 2.83Å
536I92Very high87.1Confident0 Ų068.1 Ų68.10%032%0.323CS..EExtended strand (participates in β ladder)trans-120.5145.3173.667.7173.2000110R473 C476 L477 Y526 I543 E544 F546R473-I536 HydrophobicContact CG-CD1 3.88Å; C476-I536 HydrophobicContact CB-CG2 4.05Å; L477-I536 HydrophobicContact CD2-CG2 4.02Å; Y526-I536 HydrophobicContact CD2-CG2 4.15Å; I536-I543 CarbonylContact O-C 3.57Å; I536-I543 WeakPolarHBondContact O-CA 3.25Å; I536-E544 HydrophobicContact CD1-CB 4.21Å; I536-E544 HydrophobicContact CG1-CB 3.7Å; I536-E544 HydrophobicContact CG1-CG 4.48Å; I536-E544 PolarHBondContact N-O 2.95Å; I536-E544 PolarHBondContact O-N 3.13Å; I536-F546 HydrophobicContact CD1-CD2 4.32Å; I536-F546 HydrophobicContact CD1-CE2 3.66Å; I536-F546 HydrophobicContact CG1-CD2 4.43Å; I536-F546 HydrophobicContact CG1-CE2 4.07Å
537L89.6Confident87.3Confident20 Ų2070.8 Ų70.811%0.10534%0.336CS..EExtended strand (participates in β ladder)trans-98.6119.9170.6-169.170.6000108.3Y524 T525 L527 D541 E542 I543Y524-L537 WeakPolarHBondContact CA-O 3.24Å; T525-L537 PolarHBondContact N-O 3.09Å; T525-L537 PolarHBondContact O-N 3.45Å; L527-L537 HydrophobicContact CD1-CB 4.3Å; L527-L537 HydrophobicContact CD2-CB 4.4Å; L527-L537 HydrophobicContact CG-CB 4.35Å; L537-D541 VanDerWaalsContact CD1-C 3.47Å; L537-D541 HydrophobicContact CD1-CB 4.5Å; L537-D541 WeakPolarHBondContact CD1-O 3.25Å; L537-E542 WeakPolarHBondContact CA-O 2.98Å; L537-I543 HydrophobicContact CD1-CG1 4.01Å
538N85.4Confident87.5Confident9 Ų969.7 Ų69.75%0.04833%0.33CS..  trans-82.4178.4178.974.99.3000112.2G523 Y524 D540 D541 E542 E544G523-N538 CarbonylContact O-C 3.53Å; Y524-N538 HydrophobicContact CD1-CB 4.47Å; Y524-N538 HydrophobicContact CE1-CB 3.95Å; N538-D540 PolarHBondContact O-N 2.71Å; N538-D540 WeakPolarHBondContact OD1-CA 3.31Å; N538-D540 PolarHBondContact OD1-N 2.96Å; N538-D541 PolarHBondContact O-N 3.18Å; N538-D541 VanDerWaalsContact O-N 3.07Å; N538-D541 PolarHBondContact OD1-N 3.19Å; N538-E542 PolarHBondContact N-O 3.31Å; N538-E542 PolarHBondContact OD1-N 3.44Å; N538-E542 PolarHBondContact OD1-O 3.17Å; N538-E544 PolarHBondContact ND2-OE1 2.98Å
539K80.5Confident87.8Confident90 Ų9066.9 Ų66.939%0.39132%0.322SS..THydrogen-bonded Turntrans-61.4-23179.6-76.9174177168.90114E468 L522 G523 Y524 D541E468-K539 IonicContact OE1-NZ 2.88Å; E468-K539 PolarHBondContact OE1-NZ 2.92Å; L522-K539 WeakPolarHBondContact O-CE 3.33Å; G523-K539 PolarHBondContact O-N 2.98Å; Y524-K539 HydrophobicContact CD2-CD 4.5Å; Y524-K539 HydrophobicContact CD2-CG 4.01Å; Y524-K539 HydrophobicContact CE2-CD 3.84Å; Y524-K539 HydrophobicContact CE2-CG 3.65Å; K539-D541 VanDerWaalsContact C-N 3.28Å
540D81.5Confident88Confident131 Ų13164.3 Ų64.370%0.70131%0.308SS*.THydrogen-bonded Turntrans-91.311.9179.2-59.4-50.1000112.1N538 E542N538-D540 PolarHBondContact O-N 2.71Å; N538-D540 WeakPolarHBondContact OD1-CA 3.31Å; N538-D540 PolarHBondContact OD1-N 2.96Å; D540-E542 HydrophobicContact CB-CG 4.37Å; D540-E542 PolarHBondContact O-N 2.83Å
541D81.4Confident88.3Confident102 Ų10261.5 Ų61.555%0.54530%0.3SS..SBendtrans58.825.3-174.8-79-48.1000113.7R500 L537 N538 K539R500-D541 IonicContact CZ-OD1 2.87Å; R500-D541 IonicContact NH2-OD1 3.43Å; R500-D541 PolarHBondContact NH2-OD1 3.32Å; R500-D541 IonicContact NH2-OD2 2.73Å; L537-D541 VanDerWaalsContact CD1-C 3.47Å; L537-D541 HydrophobicContact CD1-CB 4.5Å; L537-D541 WeakPolarHBondContact CD1-O 3.25Å; N538-D541 PolarHBondContact O-N 3.18Å; N538-D541 VanDerWaalsContact O-N 3.07Å; N538-D541 PolarHBondContact OD1-N 3.19Å; K539-D541 VanDerWaalsContact C-N 3.28Å
542E87.3Confident88.7Confident124 Ų12455.5 Ų55.558%0.57927%0.267SS*.  trans-93.1140.5173.1-57-175.4156.300111.5L537 N538 D540 E544L537-E542 WeakPolarHBondContact CA-O 2.98Å; N538-E542 PolarHBondContact N-O 3.31Å; N538-E542 PolarHBondContact OD1-N 3.44Å; N538-E542 PolarHBondContact OD1-O 3.17Å; D540-E542 HydrophobicContact CB-CG 4.37Å; D540-E542 PolarHBondContact O-N 2.83Å; E542-E544 PolarHBondContact O-N 2.99Å
543I89Confident88.6Confident97 Ų9754.3 Ų54.350%0.49726%0.261SS..EExtended strand (participates in β ladder)trans-86.4111.3177.6-59.1175.1000109.1L527 E535 I536 L537L527-I543 HydrophobicContact CD1-CD1 4.31Å; L527-I543 HydrophobicContact CD1-CG1 4.17Å; L527-I543 HydrophobicContact CD1-CG2 4.42Å; E535-I543 HydrophobicContact CB-CG2 4.19Å; I536-I543 CarbonylContact O-C 3.57Å; I536-I543 WeakPolarHBondContact O-CA 3.25Å; L537-I543 HydrophobicContact CD1-CG1 4.01Å
544E90.3Very high88.2Confident27 Ų2755.8 Ų55.813%0.12627%0.27CS..EExtended strand (participates in β ladder)trans-92.6137.7170.1-56.8178.5-173.800109.9R473 E535 I536 N538 E542 F546R473-E544 IonicContact CZ-OE1 3.56Å; R473-E544 IonicContact CZ-OE2 2.64Å; R473-E544 VanDerWaalsContact CZ-OE2 3.32Å; R473-E544 IonicContact NE-OE1 2.7Å; R473-E544 IonicContact NE-OE2 2.74Å; R473-E544 PolarHBondContact NE-OE2 3.27Å; R473-E544 VanDerWaalsContact NH2-CD 3.32Å; R473-E544 IonicContact NH2-OE1 3.18Å; R473-E544 PolarHBondContact NH2-OE1 3.44Å; R473-E544 IonicContact NH2-OE2 2.77Å; R473-E544 PolarHBondContact NH2-OE2 2.98Å; E535-E544 WeakPolarHBondContact CA-O 3.24Å; I536-E544 HydrophobicContact CD1-CB 4.21Å; I536-E544 HydrophobicContact CG1-CB 3.7Å; I536-E544 HydrophobicContact CG1-CG 4.48Å; I536-E544 PolarHBondContact N-O 2.95Å; I536-E544 PolarHBondContact O-N 3.13Å; N538-E544 PolarHBondContact ND2-OE1 2.98Å; E542-E544 PolarHBondContact O-N 2.99Å; E544-F546 HydrophobicContact CB-CE2 3.79Å
545R91.3Very high87.2Confident130 Ų13058 Ų5849%0.49128%0.282SS..EExtended strand (participates in β ladder)trans-113.2135.4178.2-62.7-174163.6162-1.4110.3Y533 M534 E535 I568Y533-R545 HydrophobicContact CD1-CB 4.44Å; M534-R545 WeakPolarHBondContact O-CA 3.48Å; E535-R545 HydrophobicContact CG-CG 4.28Å; E535-R545 IonicContact OE1-CZ 2.84Å; E535-R545 VanDerWaalsContact OE1-CZ 3.24Å; E535-R545 IonicContact OE1-NE 3.47Å; E535-R545 PolarHBondContact OE1-NE 3.23Å; E535-R545 IonicContact OE1-NH2 3.93Å; E535-R545 PolarHBondContact OE1-NH2 2.83Å; R545-I568 HydrophobicContact CB-CD1 4.06Å; R545-I568 HydrophobicContact CB-CG1 4.3Å; R545-I568 VanDerWaalsContact O-CG1 3.24Å; R545-I568 WeakPolarHBondContact O-CG1 3.43Å
546F93.3Very high85.9Confident5 Ų562 Ų622%0.02231%0.31CS..EExtended strand (participates in β ladder)trans-127.3126175.2-68.9-91.8000109.1L477 Y533 M534 I536 E544 L548 V565 K566L477-F546 HydrophobicContact CD1-CB 4.49Å; L477-F546 HydrophobicContact CD1-CD1 4Å; L477-F546 HydrophobicContact CD1-CD2 3.86Å; L477-F546 HydrophobicContact CD1-CE1 4.17Å; L477-F546 HydrophobicContact CD1-CE2 4.04Å; L477-F546 HydrophobicContact CD1-CG 3.85Å; L477-F546 HydrophobicContact CD1-CZ 4.19Å; L477-F546 HydrophobicContact CD2-CB 4.05Å; L477-F546 HydrophobicContact CD2-CD2 3.87Å; L477-F546 HydrophobicContact CD2-CG 4.06Å; L477-F546 HydrophobicContact CG-CD2 4.48Å; Y533-F546 CarbonylContact C-O 3.6Å; Y533-F546 VanDerWaalsContact CA-O 3.3Å; Y533-F546 WeakPolarHBondContact CA-O 3.49Å; M534-F546 PolarHBondContact N-O 2.86Å; M534-F546 PolarHBondContact O-N 2.98Å; I536-F546 HydrophobicContact CD1-CD2 4.32Å; I536-F546 HydrophobicContact CD1-CE2 3.66Å; I536-F546 HydrophobicContact CG1-CD2 4.43Å; I536-F546 HydrophobicContact CG1-CE2 4.07Å; E544-F546 HydrophobicContact CB-CE2 3.79Å; F546-L548 PolarHBondContact O-N 2.69Å; F546-V565 HydrophobicContact CB-CB 4.22Å; F546-V565 HydrophobicContact CD1-CG2 4.03Å; F546-K566 WeakPolarHBondContact CA-O 3.26Å
547E94Very high84.8Confident63 Ų6367.8 Ų67.829%0.29435%0.346SS..EExtended strand (participates in β ladder)trans-74.2120.2173.6-168.4-176.1-17900108.6Y533 L549 V565 K566Y533-E547 HydrophobicContact CD1-CB 4.01Å; Y533-E547 HydrophobicContact CE1-CB 3.66Å; Y533-E547 HydrophobicContact CE1-CG 4.02Å; E547-L549 HydrophobicContact CG-CD2 4.16Å; E547-L549 PolarHBondContact O-N 2.95Å; E547-V565 CarbonylContact O-C 3.58Å; E547-V565 WeakPolarHBondContact O-CA 3.46Å; E547-K566 HydrophobicContact CB-CB 3.99Å; E547-K566 PolarHBondContact N-O 3.47Å; E547-K566 PolarHBondContact O-N 2.86Å
548L92.1Very high84.4Confident29 Ų2967.5 Ų67.515%0.15234%0.343CS..EExtended strand (participates in β ladder)trans-80.6111.4176.6-179.863000109.4L529 N532 M534 F546 V551 V563 V565L529-L548 HydrophobicContact CD1-CB 4.25Å; L529-L548 HydrophobicContact CD1-CD2 3.88Å; L529-L548 HydrophobicContact CD2-CD2 4.11Å; N532-L548 WeakPolarHBondContact O-CB 3.46Å; N532-L548 PolarHBondContact O-N 2.64Å; M534-L548 HydrophobicContact CG-CB 4.31Å; M534-L548 HydrophobicContact SD-CD1 4.09Å; M534-L548 HydrophobicContact SD-CD2 4.5Å; F546-L548 PolarHBondContact O-N 2.69Å; L548-V551 HydrophobicContact CD1-CG2 3.8Å; L548-V551 HydrophobicContact CD2-CG2 3.97Å; L548-V551 HydrophobicContact CG-CG2 4.24Å; L548-V563 HydrophobicContact CD1-CG1 3.3Å; L548-V565 HydrophobicContact CD1-CG1 4.27Å
549L91.3Very high84.3Confident36 Ų3671.7 Ų71.719%0.18836%0.358CS..EExtended strand (participates in β ladder)trans-92-55.4-178.4-58173.9000110.8E547 I564 K566 Y572 Y622E547-L549 HydrophobicContact CG-CD2 4.16Å; E547-L549 PolarHBondContact O-N 2.95Å; L549-I564 HydrophobicContact CB-CG2 4.47Å; L549-I564 WeakPolarHBondContact CB-O 3.39Å; L549-I564 HydrophobicContact CD1-CG2 4.18Å; L549-I564 PolarHBondContact N-O 3.33Å; L549-K566 HydrophobicContact CD1-CB 4.11Å; L549-K566 HydrophobicContact CG-CB 4.43Å; L549-Y572 HydrophobicContact CD1-CD1 3.48Å; L549-Y572 VanDerWaalsContact CD1-CD1 3.48Å; L549-Y572 HydrophobicContact CD1-CE1 3.58Å; L549-Y622 HydrophobicContact CB-CE2 4.16Å; L549-Y622 HydrophobicContact CD1-CD2 4.33Å; L549-Y622 HydrophobicContact CD1-CE1 4.32Å; L549-Y622 HydrophobicContact CD1-CE2 3.68Å
550H89.3Confident84.7Confident32 Ų3267.9 Ų67.915%0.14834%0.341CS..EExtended strand (participates in β ladder)trans-143.9137.7-177.4-67.1-40000112.2L552 V563 I564 L629H550-L552 HydrophobicContact CB-CD1 4.25Å; H550-V563 WeakPolarHBondContact O-CA 3.43Å; H550-I564 HydrophobicContact CB-CB 4.29Å; H550-I564 HydrophobicContact CB-CD1 4.22Å; H550-I564 HydrophobicContact CB-CG1 4.32Å; H550-I564 PolarHBondContact N-O 3.25Å; H550-I564 PolarHBondContact O-N 3.16Å; H550-L629 HydrophobicContact CB-CD1 4.37Å
551V88.3Confident85.2Confident48 Ų4861.8 Ų61.829%0.29131%0.309SS..EExtended strand (participates in β ladder)trans-108.7119.6167.8-177.10000108.2L548 N553 M561 V563L548-V551 HydrophobicContact CD1-CG2 3.8Å; L548-V551 HydrophobicContact CD2-CG2 3.97Å; L548-V551 HydrophobicContact CG-CG2 4.24Å; V551-N553 WeakPolarHBondContact CG1-OD1 3.49Å; V551-M561 HydrophobicContact CG1-CE 3.5Å; V551-M561 VanDerWaalsContact CG1-CE 3.5Å; V551-V563 HydrophobicContact CG1-CG2 4.29Å; V551-V563 HydrophobicContact CG2-CG2 4.44Å
552L89.9Confident85.8Confident1 Ų157 Ų571%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-95.392.4171.1-71.272.2000107H550 R558 S562 I564 Y647 E651H550-L552 HydrophobicContact CB-CD1 4.25Å; L552-R558 PolarHBondContact O-NH2 3.15Å; L552-S562 WeakPolarHBondContact CA-O 3.25Å; L552-S562 PolarHBondContact N-O 2.78Å; L552-S562 PolarHBondContact O-N 3.28Å; L552-S562 VanDerWaalsContact O-N 3.12Å; L552-I564 HydrophobicContact CD1-CD1 4.21Å; L552-I564 HydrophobicContact CD1-CG1 4.2Å; L552-Y647 HydrophobicContact CB-CD1 4.36Å; L552-Y647 HydrophobicContact CB-CE1 4.17Å; L552-Y647 HydrophobicContact CD2-CD1 3.41Å; L552-Y647 VanDerWaalsContact CD2-CD1 3.41Å; L552-Y647 HydrophobicContact CD2-CE1 3.89Å; L552-Y647 HydrophobicContact CD2-CG 4.03Å; L552-Y647 HydrophobicContact CG-CD1 3.75Å; L552-Y647 HydrophobicContact CG-CE1 3.66Å; L552-E651 HydrophobicContact CD2-CG 4.12Å
553N82.6Confident86.1Confident83 Ų8351 Ų5144%0.44426%0.255SS..EExtended strand (participates in β ladder)trans-51.3149.6-174-70-19000113.6V551 D555 R558V551-N553 WeakPolarHBondContact CG1-OD1 3.49Å; N553-D555 PolarHBondContact O-N 2.75Å; N553-R558 PolarHBondContact O-NH2 3.38Å
554F80.4Confident86.4Confident131 Ų13146.4 Ų46.458%0.57523%0.232SC*.EExtended strand (participates in β ladder)trans-58.9137173.1179.8-94.4000111.1M561F554-M561 HydrophobicContact CB-CB 4.23Å
555D70.4Confident86.6Confident52 Ų5245.1 Ų45.128%0.27823%0.226SC..EExtended strand (participates in β ladder)trans-128.2132.4173.4168.54.1000108.1N553 V557 R558 R559N553-D555 PolarHBondContact O-N 2.75Å; D555-V557 PolarHBondContact O-N 3.2Å; D555-V557 PolarHBondContact OD1-N 2.62Å; D555-R558 HydrophobicContact CB-CB 3.81Å; D555-R558 CarbonylContact O-C 3.52Å; D555-R558 PolarHBondContact O-N 3.09Å; D555-R559 WeakPolarHBondContact O-CA 3.37Å; D555-R559 PolarHBondContact O-N 3.18Å
556S64.3Low86.7Confident91 Ų9141.8 Ų41.864%0.63622%0.215SC*.THydrogen-bonded Turntrans-60.6-29.1179.869.50000114.1R559S556-R559 WeakPolarHBondContact O-CG 3.42Å
557V68.6Low86.5Confident122 Ų12242.8 Ų42.874%0.73922%0.222SC*.THydrogen-bonded Turntrans-75.6-46175.5-177.80000109.5D555D555-V557 PolarHBondContact O-N 3.2Å; D555-V557 PolarHBondContact OD1-N 2.62Å
558R80.5Confident86.1Confident15 Ų1546.1 Ų46.16%0.05724%0.241CC..THydrogen-bonded Turntrans-73.7-32.6-178-160.4178.664.1158.80113.8L552 N553 D555 R560 S582 Y647 E651L552-R558 PolarHBondContact O-NH2 3.15Å; N553-R558 PolarHBondContact O-NH2 3.38Å; D555-R558 HydrophobicContact CB-CB 3.81Å; D555-R558 CarbonylContact O-C 3.52Å; D555-R558 PolarHBondContact O-N 3.09Å; R558-R560 VanDerWaalsContact C-N 3.29Å; R558-R560 HydrophobicContact CG-CG 3.79Å; R558-R560 VanDerWaalsContact CG-NH2 3.35Å; R558-R560 PolarHBondContact NE-O 3.32Å; R558-R560 PolarHBondContact NH2-O 2.86Å; R558-R560 PolarHBondContact O-N 3.16Å; R558-R560 PolarHBondContact O-NH1 2.89Å; R558-S582 PolarHBondContact O-OG 2.96Å; R558-Y647 VanDerWaalsContact NH1-CB 3.35Å; R558-Y647 VanDerWaalsContact NH1-CG 3.27Å; R558-E651 WeakPolarHBondContact CD-OE2 3.48Å; R558-E651 IonicContact CZ-OE1 2.94Å; R558-E651 VanDerWaalsContact CZ-OE1 3.27Å; R558-E651 IonicContact CZ-OE2 2.63Å; R558-E651 IonicContact NE-OE2 3.25Å; R558-E651 IonicContact NH1-OE1 2.64Å; R558-E651 PolarHBondContact NH1-OE1 2.87Å; R558-E651 IonicContact NH1-OE2 3.95Å; R558-E651 PolarHBondContact NH1-OE2 3.45Å; R558-E651 VanDerWaalsContact NH1-OE2 3.1Å; R558-E651 IonicContact NH2-OE1 3.32Å
559R83.4Confident85.7Confident96 Ų9648.9 Ų48.936%0.36226%0.262SS..THydrogen-bonded Turntrans56.932.3179.3-54.8177.8-177.3170.80.7115.4D555 S556 G578 A579D555-R559 WeakPolarHBondContact O-CA 3.37Å; D555-R559 PolarHBondContact O-N 3.18Å; S556-R559 WeakPolarHBondContact O-CG 3.42Å; R559-G578 WeakPolarHBondContact O-CA 3.38Å; R559-A579 HydrophobicContact CB-CB 4.16Å; R559-A579 PolarHBondContact O-N 3.33Å
560R89.3Confident85.4Confident10 Ų1049 Ų494%0.03827%0.273CS..EExtended strand (participates in β ladder)trans-154.5158.6177.557.8-176.9-173.7-86.8-7.3110.5R558 K577 S582 I583 R586 D648 E651R558-R560 VanDerWaalsContact C-N 3.29Å; R558-R560 HydrophobicContact CG-CG 3.79Å; R558-R560 VanDerWaalsContact CG-NH2 3.35Å; R558-R560 PolarHBondContact NE-O 3.32Å; R558-R560 PolarHBondContact NH2-O 2.86Å; R558-R560 PolarHBondContact O-N 3.16Å; R558-R560 PolarHBondContact O-NH1 2.89Å; R560-K577 CarbonylContact C-O 3.59Å; R560-K577 VanDerWaalsContact CA-O 3.31Å; R560-K577 WeakPolarHBondContact CA-O 3.32Å; R560-K577 WeakPolarHBondContact CB-O 3.42Å; R560-S582 WeakPolarHBondContact CD-OG 3.19Å; R560-S582 PolarHBondContact NH1-OG 3.24Å; R560-I583 HydrophobicContact CB-CD1 4.11Å; R560-R586 VanDerWaalsContact CZ-NE 3.33Å; R560-R586 VanDerWaalsContact NH2-CZ 3.31Å; R560-D648 IonicContact CZ-OD1 3.78Å; R560-D648 IonicContact NH2-OD1 2.77Å; R560-D648 PolarHBondContact NH2-OD1 2.94Å; R560-E651 IonicContact CZ-OE2 3.8Å; R560-E651 VanDerWaalsContact CZ-OE2 3.24Å; R560-E651 IonicContact NE-OE2 2.75Å; R560-E651 PolarHBondContact NE-OE2 3.28Å; R560-E651 IonicContact NH2-OE2 3.71Å; R560-E651 PolarHBondContact NH2-OE2 2.7Å
561M91.7Very high85.5Confident4 Ų451.7 Ų51.72%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-128.9142.4175.9180-174.5-176.600108.3T480 E512 V551 F554 V563 C576 K577T480-M561 HydrophobicContact CG2-CE 3.4Å; T480-M561 HydrophobicContact CG2-SD 4.44Å; E512-M561 VanDerWaalsContact OE1-SD 3.39Å; V551-M561 HydrophobicContact CG1-CE 3.5Å; V551-M561 VanDerWaalsContact CG1-CE 3.5Å; F554-M561 HydrophobicContact CB-CB 4.23Å; M561-V563 HydrophobicContact CE-CG2 4.07Å; M561-C576 WeakPolarHBondContact O-CA 3.16Å; M561-K577 HydrophobicContact CB-CG 4.48Å; M561-K577 PolarHBondContact N-O 3.35Å; M561-K577 PolarHBondContact O-N 2.83Å
562S94.3Very high85.7Confident0 Ų050.3 Ų50.30%028%0.275CS..EExtended strand (participates in β ladder)trans-133148.9176.9-48.40000111.3L552 F575 C576 E651L552-S562 WeakPolarHBondContact CA-O 3.25Å; L552-S562 PolarHBondContact N-O 2.78Å; L552-S562 PolarHBondContact O-N 3.28Å; L552-S562 VanDerWaalsContact O-N 3.12Å; S562-F575 CarbonylContact C-O 3.06Å; S562-F575 WeakPolarHBondContact CA-O 3.24Å; S562-F575 WeakPolarHBondContact CB-O 3.49Å; S562-C576 PolarHBondContact OG-SG 3.2Å; S562-E651 WeakPolarHBondContact CB-OE1 3.26Å; S562-E651 PolarHBondContact OG-OE1 3.04Å
563V94.6Very high85.9Confident0 Ų050.7 Ų50.70%028%0.277CS..EExtended strand (participates in β ladder)trans-131.9132.8175.9-1790000109C478 L548 H550 V551 M561 V565 M574 F575C478-V563 HydrophobicContact CB-CG2 4.34Å; L548-V563 HydrophobicContact CD1-CG1 3.3Å; H550-V563 WeakPolarHBondContact O-CA 3.43Å; V551-V563 HydrophobicContact CG1-CG2 4.29Å; V551-V563 HydrophobicContact CG2-CG2 4.44Å; M561-V563 HydrophobicContact CE-CG2 4.07Å; V563-V565 HydrophobicContact CG1-CG1 3.78Å; V563-M574 WeakPolarHBondContact O-CA 3.43Å; V563-F575 PolarHBondContact N-O 3.36Å; V563-F575 PolarHBondContact O-N 2.72Å
564I94.7Very high86.5Confident0 Ų046.7 Ų46.70%026%0.256CS..EExtended strand (participates in β ladder)trans-104.5121.4174.7-48.5-177000107.9L549 H550 L552 L573 M574 L617 Y622L549-I564 HydrophobicContact CB-CG2 4.47Å; L549-I564 WeakPolarHBondContact CB-O 3.39Å; L549-I564 HydrophobicContact CD1-CG2 4.18Å; L549-I564 PolarHBondContact N-O 3.33Å; H550-I564 HydrophobicContact CB-CB 4.29Å; H550-I564 HydrophobicContact CB-CD1 4.22Å; H550-I564 HydrophobicContact CB-CG1 4.32Å; H550-I564 PolarHBondContact N-O 3.25Å; H550-I564 PolarHBondContact O-N 3.16Å; L552-I564 HydrophobicContact CD1-CD1 4.21Å; L552-I564 HydrophobicContact CD1-CG1 4.2Å; I564-L573 WeakPolarHBondContact CA-O 3.18Å; I564-M574 HydrophobicContact CD1-CE 3.45Å; I564-M574 VanDerWaalsContact CD1-CE 3.45Å; I564-M574 HydrophobicContact CG1-CE 3.65Å; I564-M574 HydrophobicContact CG1-CG 4.29Å; I564-L617 HydrophobicContact CG2-CD1 4.18Å; I564-Y622 HydrophobicContact CG2-CD2 4.12Å; I564-Y622 HydrophobicContact CG2-CE2 4.19Å
565V94.4Very high87.2Confident0 Ų040.5 Ų40.50%023%0.228CC..EExtended strand (participates in β ladder)trans-126.4153.3179.5-59.50000111.5L477 F546 E547 L548 V563 L573 F575L477-V565 HydrophobicContact CD1-CG2 4.44Å; F546-V565 HydrophobicContact CB-CB 4.22Å; F546-V565 HydrophobicContact CD1-CG2 4.03Å; E547-V565 CarbonylContact O-C 3.58Å; E547-V565 WeakPolarHBondContact O-CA 3.46Å; L548-V565 HydrophobicContact CD1-CG1 4.27Å; V563-V565 HydrophobicContact CG1-CG1 3.78Å; V565-L573 HydrophobicContact CG2-CB 3.99Å; V565-L573 PolarHBondContact N-O 2.84Å; V565-L573 PolarHBondContact O-N 3.39Å; V565-F575 HydrophobicContact CG2-CD2 4.15Å; V565-F575 HydrophobicContact CG2-CE2 3.84Å
566K93.9Very high88.4Confident60 Ų6038 Ų3826%0.26122%0.215SC..EExtended strand (participates in β ladder)trans-105.8126.4168.2-159.1175.3178.2163.90109.8F546 E547 L549 E571 Y572F546-K566 WeakPolarHBondContact CA-O 3.26Å; E547-K566 HydrophobicContact CB-CB 3.99Å; E547-K566 PolarHBondContact N-O 3.47Å; E547-K566 PolarHBondContact O-N 2.86Å; L549-K566 HydrophobicContact CD1-CB 4.11Å; L549-K566 HydrophobicContact CG-CB 4.43Å; K566-E571 WeakPolarHBondContact CA-O 3.4Å; K566-Y572 HydrophobicContact CB-CD1 4.48Å; K566-Y572 HydrophobicContact CB-CE1 4.45Å; K566-Y572 HydrophobicContact CD-CE1 3.83Å; K566-Y572 HydrophobicContact CG-CD1 4.26Å; K566-Y572 HydrophobicContact CG-CE1 4.03Å; K566-Y572 PolarHBondContact NZ-OH 3.3Å
567S89.4Confident89.8Confident26 Ų2634.3 Ų34.318%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-74.7157.4171.7-178.70000110.9S569 G570 E571S567-S569 VanDerWaalsContact CB-OG 3.28Å; S567-S569 WeakPolarHBondContact CB-OG 3.36Å; S567-S569 PolarHBondContact O-N 3.26Å; S567-S569 PolarHBondContact OG-N 2.81Å; S567-S569 PolarHBondContact OG-OG 2.95Å; S567-G570 PolarHBondContact O-N 2.95Å; S567-E571 PolarHBondContact N-O 3.14Å
568I85.4Confident90.9Very high132 Ų13228.7 Ų28.768%0.67715%0.154SC*.THydrogen-bonded Turntrans-57.8-28.1170.6-54.4156.1000111.2R545 G570R545-I568 HydrophobicContact CB-CD1 4.06Å; R545-I568 HydrophobicContact CB-CG1 4.3Å; R545-I568 VanDerWaalsContact O-CG1 3.24Å; R545-I568 WeakPolarHBondContact O-CG1 3.43Å; I568-G570 PolarHBondContact O-N 2.87Å
569S82.9Confident91.2Very high87 Ų8728.4 Ų28.461%0.60816%0.155SC*.THydrogen-bonded Turntrans-68.8-8.9174.360.50000113.9S567S567-S569 VanDerWaalsContact CB-OG 3.28Å; S567-S569 WeakPolarHBondContact CB-OG 3.36Å; S567-S569 PolarHBondContact O-N 3.26Å; S567-S569 PolarHBondContact OG-N 2.81Å; S567-S569 PolarHBondContact OG-OG 2.95Å
570G85.5Confident91.3Very high39 Ų3926 Ų2640%0.40215%0.149SC..SBendtrans90.4-1.4-178.300000114.7S567 I568S567-G570 PolarHBondContact O-N 2.95Å; I568-G570 PolarHBondContact O-N 2.87Å
571E90.5Very high91Very high88 Ų8828.6 Ų28.641%0.41117%0.169SC..  trans-76.3137.7178.4-62-169.9150.500112.6K566 S567K566-E571 WeakPolarHBondContact CA-O 3.4Å; S567-E571 PolarHBondContact N-O 3.14Å
572Y93.4Very high90.8Very high20 Ų2029 Ų298%0.07817%0.172CC..EExtended strand (participates in β ladder)trans-92.4120.3171.4-62.5-89.6000110.2L549 K566 L617 E619 Y622L549-Y572 HydrophobicContact CD1-CD1 3.48Å; L549-Y572 VanDerWaalsContact CD1-CD1 3.48Å; L549-Y572 HydrophobicContact CD1-CE1 3.58Å; K566-Y572 HydrophobicContact CB-CD1 4.48Å; K566-Y572 HydrophobicContact CB-CE1 4.45Å; K566-Y572 HydrophobicContact CD-CE1 3.83Å; K566-Y572 HydrophobicContact CG-CD1 4.26Å; K566-Y572 HydrophobicContact CG-CE1 4.03Å; K566-Y572 PolarHBondContact NZ-OH 3.3Å; Y572-L617 PolarHBondContact O-N 2.81Å; Y572-E619 HydrophobicContact CE2-CB 4.46Å; Y572-E619 WeakPolarHBondContact CE2-OE2 3.42Å; Y572-E619 PolarHBondContact OH-OE2 3.46Å; Y572-Y622 HydrophobicContact CD1-CD1 4.04Å; Y572-Y622 HydrophobicContact CD1-CD2 4.24Å; Y572-Y622 HydrophobicContact CD1-CE1 4.46Å; Y572-Y622 AromaticContact CD1-CG 3.92Å; Y572-Y622 HydrophobicContact CD1-CG 3.92Å; Y572-Y622 AromaticContact CE1-CD1 3.66Å; Y572-Y622 HydrophobicContact CE1-CD1 3.66Å; Y572-Y622 AromaticContact CE1-CE1 3.87Å; Y572-Y622 HydrophobicContact CE1-CE1 3.87Å; Y572-Y622 HydrophobicContact CE1-CG 4.04Å; Y572-Y622 HydrophobicContact CG-CG 4.47Å
573L94Very high90.7Very high8 Ų829 Ų294%0.04217%0.172CC..EExtended strand (participates in β ladder)trans-118.5128.8-178.7-60.8173.6000109.5I564 V565 F575 R616I564-L573 WeakPolarHBondContact CA-O 3.18Å; V565-L573 HydrophobicContact CG2-CB 3.99Å; V565-L573 PolarHBondContact N-O 2.84Å; V565-L573 PolarHBondContact O-N 3.39Å; L573-F575 HydrophobicContact CB-CE2 3.98Å; L573-F575 HydrophobicContact CB-CZ 4.16Å; L573-F575 HydrophobicContact CD1-CE2 4.34Å; L573-F575 HydrophobicContact CD1-CZ 4.05Å; L573-R616 HydrophobicContact CD2-CG 3.71Å
574M94.9Very high90.5Very high0 Ų030.7 Ų30.70%018%0.179CC..EExtended strand (participates in β ladder)trans-105.9118.3169-178.2-178.7-75.200108.9V563 I564 Y614 R615 L617 I650 F654V563-M574 WeakPolarHBondContact O-CA 3.43Å; I564-M574 HydrophobicContact CD1-CE 3.45Å; I564-M574 VanDerWaalsContact CD1-CE 3.45Å; I564-M574 HydrophobicContact CG1-CE 3.65Å; I564-M574 HydrophobicContact CG1-CG 4.29Å; M574-Y614 CarbonylContact O-C 3.53Å; M574-Y614 WeakPolarHBondContact O-CA 3.06Å; M574-R615 HydrophobicContact CB-CB 4.45Å; M574-R615 PolarHBondContact N-O 2.81Å; M574-R615 PolarHBondContact O-N 3.43Å; M574-L617 HydrophobicContact CB-CD1 4.16Å; M574-L617 HydrophobicContact CB-CG 4.45Å; M574-L617 HydrophobicContact CE-CD1 3.9Å; M574-I650 HydrophobicContact CE-CG2 3.19Å; M574-I650 HydrophobicContact SD-CG2 4.22Å; M574-F654 HydrophobicContact CG-CE1 4.01Å; M574-F654 HydrophobicContact CG-CZ 4.45Å; M574-F654 HydrophobicContact SD-CE1 3.74Å; M574-F654 HydrophobicContact SD-CZ 3.77Å
575F96.1Very high90.2Very high0 Ų035.5 Ų35.50%021%0.211CC..EExtended strand (participates in β ladder)trans-101139.6171-63.5-67.8000109.6A474 L477 C478 S562 V563 V565 L573A474-F575 HydrophobicContact CB-CB 4.29Å; A474-F575 HydrophobicContact CB-CD1 3.28Å; A474-F575 HydrophobicContact CB-CE1 3.7Å; A474-F575 HydrophobicContact CB-CG 3.9Å; L477-F575 HydrophobicContact CB-CD2 4.32Å; L477-F575 HydrophobicContact CD1-CD2 4.35Å; L477-F575 HydrophobicContact CD1-CE2 3.75Å; C478-F575 HydrophobicContact CB-CB 3.87Å; S562-F575 CarbonylContact C-O 3.06Å; S562-F575 WeakPolarHBondContact CA-O 3.24Å; S562-F575 WeakPolarHBondContact CB-O 3.49Å; V563-F575 PolarHBondContact N-O 3.36Å; V563-F575 PolarHBondContact O-N 2.72Å; V565-F575 HydrophobicContact CG2-CD2 4.15Å; V565-F575 HydrophobicContact CG2-CE2 3.84Å; L573-F575 HydrophobicContact CB-CE2 3.98Å; L573-F575 HydrophobicContact CB-CZ 4.16Å; L573-F575 HydrophobicContact CD1-CE2 4.34Å; L573-F575 HydrophobicContact CD1-CZ 4.05Å
576C94.9Very high90.1Very high0 Ų037.7 Ų37.70%022%0.219CC..EExtended strand (participates in β ladder)trans-133.6130.2177.6-171.70000109.5M561 S562 I583 V612 A613 F654M561-C576 WeakPolarHBondContact O-CA 3.16Å; S562-C576 PolarHBondContact OG-SG 3.2Å; C576-I583 HydrophobicContact CB-CD1 4.41Å; C576-I583 WeakPolarHBondContact SG-CD1 3.45Å; C576-V612 WeakPolarHBondContact O-CA 3.46Å; C576-A613 PolarHBondContact N-O 3.29Å; C576-A613 PolarHBondContact O-N 2.9Å; C576-A613 VanDerWaalsContact O-O 3.13Å; C576-F654 HydrophobicContact CB-CD1 4.34Å; C576-F654 HydrophobicContact CB-CE1 3.73Å; C576-F654 HydrophobicContact CB-CE2 4.13Å; C576-F654 HydrophobicContact CB-CZ 3.61Å
577K94.4Very high90Very high14 Ų1435.9 Ų35.96%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-124.6140.617174.8-178-176.4-1680110.3C478 E512 R560 M561 C611 V612C478-K577 VanDerWaalsContact O-CD 3.26Å; C478-K577 WeakPolarHBondContact O-CD 3.46Å; C478-K577 WeakPolarHBondContact O-CE 3.23Å; C478-K577 PolarHBondContact O-NZ 2.79Å; E512-K577 VanDerWaalsContact OE1-CE 3.31Å; E512-K577 WeakPolarHBondContact OE1-CE 3.39Å; E512-K577 IonicContact OE1-NZ 2.7Å; E512-K577 PolarHBondContact OE1-NZ 3.08Å; R560-K577 CarbonylContact C-O 3.59Å; R560-K577 VanDerWaalsContact CA-O 3.31Å; R560-K577 WeakPolarHBondContact CA-O 3.32Å; R560-K577 WeakPolarHBondContact CB-O 3.42Å; M561-K577 HydrophobicContact CB-CG 4.48Å; M561-K577 PolarHBondContact N-O 3.35Å; M561-K577 PolarHBondContact O-N 2.83Å; K577-C611 WeakPolarHBondContact CA-O 3.24Å; K577-V612 HydrophobicContact CB-CG2 4.43Å
578G91Very high90Very high3 Ų339.8 Ų39.83%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-179.2-172.6179.300000114.5R559 L610 C611R559-G578 WeakPolarHBondContact O-CA 3.38Å; G578-L610 CarbonylContact O-C 3.56Å; G578-L610 WeakPolarHBondContact O-CA 3.46Å; G578-C611 PolarHBondContact N-O 2.75Å; G578-C611 PolarHBondContact O-N 2.87Å
579A86.7Confident89.9Confident9 Ų936.2 Ų36.27%0.07422%0.222CC..  trans-63.5142.9176.800000111.3R559 S581 S582 I583R559-A579 HydrophobicContact CB-CB 4.16Å; R559-A579 PolarHBondContact O-N 3.33Å; A579-S581 VanDerWaalsContact C-N 3.29Å; A579-S581 PolarHBondContact O-N 2.84Å; A579-S582 WeakPolarHBondContact O-CA 3.49Å; A579-S582 WeakPolarHBondContact O-CB 3.39Å; A579-S582 PolarHBondContact O-N 3.46Å; A579-I583 PolarHBondContact O-N 3.37Å
580D85.9Confident89.9Confident46 Ų4634 Ų3425%0.24621%0.214CC..Hα-helixtrans-39.6-52.3169.365.3-38.6000113.5S582 I583 F584 V599 K691D580-S582 PolarHBondContact O-N 3.28Å; D580-S582 VanDerWaalsContact O-N 3.15Å; D580-I583 PolarHBondContact O-N 3.48Å; D580-F584 HydrophobicContact CB-CD2 4.06Å; D580-F584 HydrophobicContact CB-CE2 3.69Å; D580-F584 HydrophobicContact CB-CZ 4.47Å; D580-F584 WeakPolarHBondContact O-CB 3.45Å; D580-F584 WeakPolarHBondContact O-CD2 3.29Å; D580-F584 WeakPolarHBondContact O-CG 3.01Å; D580-F584 PolarHBondContact O-N 3.39Å; D580-V599 HydrophobicContact CB-CG1 3.98Å; D580-K691 IonicContact OD1-NZ 3.26Å
581S82.9Confident89.9Confident64 Ų6436.1 Ų36.145%0.44821%0.212SC..Hα-helixtrans-64.8-18.7179.763.80000114.9A579 P585A579-S581 VanDerWaalsContact C-N 3.29Å; A579-S581 PolarHBondContact O-N 2.84Å; S581-P585 WeakPolarHBondContact O-CD 3.27Å; S581-P585 WeakPolarHBondContact O-CG 3.36Å
582S87.1Confident89.7Confident13 Ų1334.1 Ų34.19%0.09121%0.206CC..Hα-helixtrans-97.9-36.3-177.6-170.20000111.8R558 R560 A579 D580 R586R558-S582 PolarHBondContact O-OG 2.96Å; R560-S582 WeakPolarHBondContact CD-OG 3.19Å; R560-S582 PolarHBondContact NH1-OG 3.24Å; A579-S582 WeakPolarHBondContact O-CA 3.49Å; A579-S582 WeakPolarHBondContact O-CB 3.39Å; A579-S582 PolarHBondContact O-N 3.46Å; D580-S582 PolarHBondContact O-N 3.28Å; D580-S582 VanDerWaalsContact O-N 3.15Å; S582-R586 WeakPolarHBondContact O-CD 3.36Å
583I91.1Very high89.3Confident0 Ų041.4 Ų41.40%024%0.24CC..Hα-helixtrans-83.1-48.1-178.2-60-63.2000111.4R560 C576 A579 D580 P585 R586 V587 C611 A613 L656R560-I583 HydrophobicContact CB-CD1 4.11Å; C576-I583 HydrophobicContact CB-CD1 4.41Å; C576-I583 WeakPolarHBondContact SG-CD1 3.45Å; A579-I583 PolarHBondContact O-N 3.37Å; D580-I583 PolarHBondContact O-N 3.48Å; I583-P585 VanDerWaalsContact C-CD 3.45Å; I583-R586 PolarHBondContact O-N 3.45Å; I583-V587 HydrophobicContact CG2-CG2 3.88Å; I583-V587 WeakPolarHBondContact O-CG2 3.45Å; I583-V587 PolarHBondContact O-N 2.81Å; I583-C611 HydrophobicContact CB-CB 3.85Å; I583-C611 HydrophobicContact CG1-CB 4.03Å; I583-C611 HydrophobicContact CG2-CB 3.91Å; I583-A613 HydrophobicContact CG2-CB 3.93Å; I583-L656 HydrophobicContact CG2-CD1 4.45Å
584F90.5Very high89Confident35 Ų3546.4 Ų46.415%0.15426%0.263CS..G310 helixtrans-53.5-40.6-175.1-69.8-42000114.9D580 R586 V587 V592 K596 L656D580-F584 HydrophobicContact CB-CD2 4.06Å; D580-F584 HydrophobicContact CB-CE2 3.69Å; D580-F584 HydrophobicContact CB-CZ 4.47Å; D580-F584 WeakPolarHBondContact O-CB 3.45Å; D580-F584 WeakPolarHBondContact O-CD2 3.29Å; D580-F584 WeakPolarHBondContact O-CG 3.01Å; D580-F584 PolarHBondContact O-N 3.39Å; F584-R586 PolarHBondContact O-N 3.04Å; F584-R586 VanDerWaalsContact O-N 3.13Å; F584-V587 PolarHBondContact O-N 3.38Å; F584-V592 HydrophobicContact CD1-CG1 3.83Å; F584-V592 HydrophobicContact CE1-CG1 4.12Å; F584-K596 HydrophobicContact CE1-CB 4.43Å; F584-K596 HydrophobicContact CE2-CB 4.12Å; F584-K596 HydrophobicContact CE2-CD 4.41Å; F584-K596 HydrophobicContact CE2-CG 3.9Å; F584-K596 HydrophobicContact CZ-CB 3.81Å; F584-K596 HydrophobicContact CZ-CG 4.12Å; F584-L656 HydrophobicContact CE1-CD2 4.05Å
585P90.2Very high88.7Confident102 Ų10246.5 Ų46.566%0.66226%0.264SS*.G310 helixtrans-65.8-12.8177.6-22.335000115S581 I583S581-P585 WeakPolarHBondContact O-CD 3.27Å; S581-P585 WeakPolarHBondContact O-CG 3.36Å; I583-P585 VanDerWaalsContact C-CD 3.45Å
586R91.1Very high88.3Confident45 Ų4551 Ų5117%0.1728%0.283CS..G310 helixtrans-110.81.8-174.2-64.2169.5178.5-84.2-4.4112.8R560 S582 I583 F584 D648 E651 D653 F654R560-R586 VanDerWaalsContact CZ-NE 3.33Å; R560-R586 VanDerWaalsContact NH2-CZ 3.31Å; S582-R586 WeakPolarHBondContact O-CD 3.36Å; I583-R586 PolarHBondContact O-N 3.45Å; F584-R586 PolarHBondContact O-N 3.04Å; F584-R586 VanDerWaalsContact O-N 3.13Å; R586-D648 IonicContact CZ-OD1 3.77Å; R586-D648 PolarHBondContact NH1-O 2.88Å; R586-D648 VanDerWaalsContact NH1-O 3.13Å; R586-D648 IonicContact NH1-OD1 3.89Å; R586-D648 IonicContact NH2-OD1 3.67Å; R586-D648 PolarHBondContact NH2-OD1 3.19Å; R586-D648 IonicContact NH2-OD2 2.77Å; R586-E651 VanDerWaalsContact CD-O 3.26Å; R586-E651 WeakPolarHBondContact CD-O 3.46Å; R586-E651 PolarHBondContact NH1-O 2.82Å; R586-D653 PolarHBondContact O-N 2.9Å; R586-F654 HydrophobicContact CB-CD2 4.04Å; R586-F654 PolarHBondContact O-N 2.9Å
587V92Very high87.9Confident23 Ų2353.8 Ų53.814%0.13931%0.307CS..EExtended strand (participates in β ladder)trans-90.9133.1178.8171.60000109.7I583 F584 S589 V592 F654 L656I583-V587 HydrophobicContact CG2-CG2 3.88Å; I583-V587 WeakPolarHBondContact O-CG2 3.45Å; I583-V587 PolarHBondContact O-N 2.81Å; F584-V587 PolarHBondContact O-N 3.38Å; V587-S589 WeakPolarHBondContact CG1-O 3.49Å; V587-V592 HydrophobicContact CG1-CG2 3.76Å; V587-F654 CarbonylContact C-O 3.51Å; V587-F654 VanDerWaalsContact CA-O 3.27Å; V587-F654 WeakPolarHBondContact CA-O 3.34Å; V587-F654 HydrophobicContact CG2-CB 4.39Å; V587-L656 HydrophobicContact CG1-CB 3.68Å; V587-L656 HydrophobicContact CG2-CB 4.03Å; V587-L656 HydrophobicContact CG2-CD1 4.45Å
588V89.5Confident87.5Confident107 Ų10754.1 Ų54.165%0.64831%0.308SS*.EExtended strand (participates in β ladder)trans-106.8-28.2178.1176.50000111.9D653 F654V588-D653 HydrophobicContact CG2-CB 4.07Å; V588-F654 PolarHBondContact N-O 2.89Å
589S83.3Confident87.3Confident57 Ų5754.1 Ų54.140%0.39931%0.308SS..EExtended strand (participates in β ladder)trans-143.7159.5-179.765.20000113.1V587 V655 L656V587-S589 WeakPolarHBondContact CG1-O 3.49Å; S589-V655 WeakPolarHBondContact O-CA 3.33Å; S589-V655 WeakPolarHBondContact OG-CG1 3.23Å; S589-V655 VanDerWaalsContact OG-CG2 3.29Å; S589-V655 WeakPolarHBondContact OG-CG2 3.27Å; S589-L656 PolarHBondContact O-N 3.44Å
590G82.9Confident87Confident42 Ų4258.9 Ų58.943%0.43333%0.329SS..SBendtrans119.1171.2-175.400000112.8V592G590-V592 PolarHBondContact O-N 3.03Å
591K84.8Confident86.8Confident83 Ų8361.7 Ų61.736%0.36134%0.34SS..  trans-81.662.7-179.1-65-179.3-172.6148.80112.6D432 E593 Q594 V595D432-K591 VanDerWaalsContact CG-NZ 3.27Å; D432-K591 WeakPolarHBondContact O-CD 3.24Å; D432-K591 PolarHBondContact O-NZ 3.28Å; D432-K591 WeakPolarHBondContact OD1-CD 3.49Å; D432-K591 WeakPolarHBondContact OD1-CE 3.48Å; D432-K591 IonicContact OD1-NZ 3.39Å; D432-K591 PolarHBondContact OD1-NZ 3.43Å; D432-K591 IonicContact OD2-NZ 2.75Å; D432-K591 PolarHBondContact OD2-NZ 3.14Å; K591-E593 PolarHBondContact O-N 3.46Å; K591-Q594 HydrophobicContact CB-CB 4.47Å; K591-Q594 PolarHBondContact O-N 2.95Å; K591-V595 WeakPolarHBondContact O-CG2 3.46Å; K591-V595 PolarHBondContact O-N 3Å; K591-V595 VanDerWaalsContact O-N 3.16Å
592V86.3Confident86.7Confident46 Ų4658.8 Ų58.828%0.27932%0.319SS..Hα-helixtrans-57.2-44.9-172.6-176.90000112.6F584 V587 G590 Q594 K596 L656F584-V592 HydrophobicContact CD1-CG1 3.83Å; F584-V592 HydrophobicContact CE1-CG1 4.12Å; V587-V592 HydrophobicContact CG1-CG2 3.76Å; G590-V592 PolarHBondContact O-N 3.03Å; V592-Q594 PolarHBondContact O-N 3.02Å; V592-K596 WeakPolarHBondContact O-CB 3.23Å; V592-K596 PolarHBondContact O-N 3.2Å; V592-L656 HydrophobicContact CB-CD2 4.41Å; V592-L656 HydrophobicContact CG2-CD2 4.09Å
593E86.3Confident86Confident173 Ų17359.3 Ų59.381%0.80833%0.325SS*.Hα-helixtrans-65.3-41.5-176.7-66.9-165160.200113.3K591 K596 A597K591-E593 PolarHBondContact O-N 3.46Å; E593-K596 PolarHBondContact O-N 2.77Å; E593-A597 PolarHBondContact O-N 3.14Å
594Q87.9Confident84.9Confident112 Ų11264.9 Ų64.952%0.52336%0.358SS..Hα-helixtrans-67.5-47.7178.9-70.3-177.9-5.300111.5K591 V592 K596 A597 H598K591-Q594 HydrophobicContact CB-CB 4.47Å; K591-Q594 PolarHBondContact O-N 2.95Å; V592-Q594 PolarHBondContact O-N 3.02Å; Q594-K596 VanDerWaalsContact C-N 3.29Å; Q594-K596 PolarHBondContact O-N 3.41Å; Q594-A597 PolarHBondContact O-N 2.96Å; Q594-H598 PolarHBondContact O-N 2.92Å; Q594-H598 VanDerWaalsContact O-N 3.15Å
595V88.4Confident83.9Confident2 Ų268.6 Ų68.61%0.01238%0.376CS..Hα-helixtrans-63.8-38.9177.91770000110.5K591 H598 V599 L656 A659K591-V595 WeakPolarHBondContact O-CG2 3.46Å; K591-V595 PolarHBondContact O-N 3Å; K591-V595 VanDerWaalsContact O-N 3.16Å; V595-H598 PolarHBondContact O-N 3.34Å; V595-V599 HydrophobicContact CG1-CG2 4.29Å; V595-V599 WeakPolarHBondContact O-CB 3.49Å; V595-V599 VanDerWaalsContact O-CG2 3.29Å; V595-V599 WeakPolarHBondContact O-CG2 3.47Å; V595-V599 PolarHBondContact O-N 3.3Å; V595-L656 HydrophobicContact CB-CD2 3.95Å; V595-L656 HydrophobicContact CG1-CD2 4.08Å; V595-L656 HydrophobicContact CG2-CD2 4.15Å; V595-A659 HydrophobicContact CG1-CB 3.74Å
596K87.8Confident82.9Confident95 Ų9564.4 Ų64.441%0.41335%0.352SS..Hα-helixtrans-63-44.3176.6-176.1180176.6-168.70112.3F584 V592 E593 Q594 H598 V599 E600F584-K596 HydrophobicContact CE1-CB 4.43Å; F584-K596 HydrophobicContact CE2-CB 4.12Å; F584-K596 HydrophobicContact CE2-CD 4.41Å; F584-K596 HydrophobicContact CE2-CG 3.9Å; F584-K596 HydrophobicContact CZ-CB 3.81Å; F584-K596 HydrophobicContact CZ-CG 4.12Å; V592-K596 WeakPolarHBondContact O-CB 3.23Å; V592-K596 PolarHBondContact O-N 3.2Å; E593-K596 PolarHBondContact O-N 2.77Å; Q594-K596 VanDerWaalsContact C-N 3.29Å; Q594-K596 PolarHBondContact O-N 3.41Å; K596-H598 VanDerWaalsContact C-N 3.27Å; K596-H598 PolarHBondContact O-N 2.69Å; K596-V599 PolarHBondContact O-N 3.35Å; K596-E600 VanDerWaalsContact CE-OE1 3.25Å; K596-E600 WeakPolarHBondContact CE-OE1 3.27Å; K596-E600 WeakPolarHBondContact O-CG 3.08Å; K596-E600 PolarHBondContact O-N 3.29Å
597A86.3Confident82.4Confident59 Ų5962.9 Ų62.949%0.48835%0.347SS..Hα-helixtrans-59.4-40.5176.100000111.8E593 Q594 E600 Q601E593-A597 PolarHBondContact O-N 3.14Å; Q594-A597 PolarHBondContact O-N 2.96Å; A597-E600 PolarHBondContact O-N 3.22Å; A597-Q601 PolarHBondContact O-N 3.43Å
598H85.9Confident82Confident20 Ų2064.2 Ų64.29%0.09335%0.349CS..Hα-helixtrans-71.1-39.7177-171.468.5000112.6E428 C430 V435 Q594 V595 K596 E600 Q601 N602E428-H598 IonicContact OE1-CE1 3.03Å; E428-H598 PolarHBondContact OE1-CE1 3.29Å; E428-H598 VanDerWaalsContact OE1-CE1 3.26Å; E428-H598 IonicContact OE1-NE2 2.75Å; E428-H598 PolarHBondContact OE1-NE2 2.8Å; C430-H598 WeakPolarHBondContact CB-CD2 3.5Å; V435-H598 VanDerWaalsContact CG2-CE1 3.42Å; V435-H598 WeakPolarHBondContact CG2-CE1 3.46Å; Q594-H598 PolarHBondContact O-N 2.92Å; Q594-H598 VanDerWaalsContact O-N 3.15Å; V595-H598 PolarHBondContact O-N 3.34Å; K596-H598 VanDerWaalsContact C-N 3.27Å; K596-H598 PolarHBondContact O-N 2.69Å; H598-E600 VanDerWaalsContact C-N 3.29Å; H598-E600 PolarHBondContact O-N 3.27Å; H598-Q601 WeakPolarHBondContact O-CB 3.11Å; H598-Q601 PolarHBondContact O-N 2.78Å; H598-N602 PolarHBondContact CD2-ND2 3.4Å; H598-N602 VanDerWaalsContact CD2-ND2 3.29Å; H598-N602 PolarHBondContact CE1-OD1 2.84Å; H598-N602 PolarHBondContact NE2-ND2 3.23Å; H598-N602 WeakPolarHBondContact O-CB 3.38Å; H598-N602 PolarHBondContact O-N 2.85Å; H598-N602 PolarHBondContact O-OD1 2.76Å
599V85.9Confident81.8Confident3 Ų360.1 Ų60.12%0.01833%0.325CS..Hα-helixtrans-58.4-42.2172.11660000111.3D580 V595 K596 N602 A603 T609 A659D580-V599 HydrophobicContact CB-CG1 3.98Å; V595-V599 HydrophobicContact CG1-CG2 4.29Å; V595-V599 WeakPolarHBondContact O-CB 3.49Å; V595-V599 VanDerWaalsContact O-CG2 3.29Å; V595-V599 WeakPolarHBondContact O-CG2 3.47Å; V595-V599 PolarHBondContact O-N 3.3Å; K596-V599 PolarHBondContact O-N 3.35Å; V599-N602 PolarHBondContact O-N 2.77Å; V599-A603 VanDerWaalsContact O-CB 3.28Å; V599-A603 WeakPolarHBondContact O-CB 3.26Å; V599-A603 PolarHBondContact O-N 2.74Å; V599-T609 HydrophobicContact CG1-CG2 4.16Å; V599-A659 HydrophobicContact CG2-CB 3.39Å
600E81.3Confident82.2Confident110 Ų11059.1 Ų59.151%0.51432%0.315SS..Hα-helixtrans-64.8-41.7176-73.3176.1-17600111.7K596 A597 H598 A603 V604K596-E600 VanDerWaalsContact CE-OE1 3.25Å; K596-E600 WeakPolarHBondContact CE-OE1 3.27Å; K596-E600 WeakPolarHBondContact O-CG 3.08Å; K596-E600 PolarHBondContact O-N 3.29Å; A597-E600 PolarHBondContact O-N 3.22Å; H598-E600 VanDerWaalsContact C-N 3.29Å; H598-E600 PolarHBondContact O-N 3.27Å; E600-A603 PolarHBondContact O-N 2.74Å; E600-V604 WeakPolarHBondContact O-CG2 3.45Å; E600-V604 PolarHBondContact O-N 3.3Å; E600-V604 VanDerWaalsContact O-N 3.11Å
601Q81.6Confident82.8Confident104 Ų10457.1 Ų57.149%0.48629%0.294SS..Hα-helixtrans-60.3-49.8173.8-178.3-177.8-17.100111.7A597 H598 A603 V604 E605A597-Q601 PolarHBondContact O-N 3.43Å; H598-Q601 WeakPolarHBondContact O-CB 3.11Å; H598-Q601 PolarHBondContact O-N 2.78Å; Q601-A603 VanDerWaalsContact C-N 3.28Å; Q601-A603 PolarHBondContact O-N 2.83Å; Q601-V604 WeakPolarHBondContact O-CA 3.15Å; Q601-V604 WeakPolarHBondContact O-CB 3.47Å; Q601-V604 PolarHBondContact O-N 2.93Å; Q601-E605 PolarHBondContact NE2-OE1 2.99Å; Q601-E605 PolarHBondContact O-N 2.8Å
602N81.6Confident83.2Confident3 Ų353.2 Ų53.22%0.01628%0.277CS..Hα-helixtrans-65.7-35-177.1-66.57.5000111.5E428 H598 V599 V604 E605 G606 L607 T609 A661E428-N602 PolarHBondContact OE1-ND2 3.4Å; E428-N602 PolarHBondContact OE1-OD1 2.83Å; H598-N602 PolarHBondContact CD2-ND2 3.4Å; H598-N602 VanDerWaalsContact CD2-ND2 3.29Å; H598-N602 PolarHBondContact CE1-OD1 2.84Å; H598-N602 PolarHBondContact NE2-ND2 3.23Å; H598-N602 WeakPolarHBondContact O-CB 3.38Å; H598-N602 PolarHBondContact O-N 2.85Å; H598-N602 PolarHBondContact O-OD1 2.76Å; V599-N602 PolarHBondContact O-N 2.77Å; N602-V604 VanDerWaalsContact C-N 3.32Å; N602-V604 PolarHBondContact O-N 3.01Å; N602-E605 CarbonylContact O-C 3.5Å; N602-E605 PolarHBondContact O-N 3.08Å; N602-G606 PolarHBondContact O-N 2.94Å; N602-G606 VanDerWaalsContact O-N 3.08Å; N602-L607 HydrophobicContact CB-CB 4.25Å; N602-L607 HydrophobicContact CB-CD1 4.17Å; N602-L607 WeakPolarHBondContact O-CB 3.46Å; N602-L607 PolarHBondContact O-N 2.94Å; N602-T609 HydrophobicContact CB-CG2 3.68Å; N602-A661 HydrophobicContact CB-CB 4.33Å
603A71.6Confident83.7Confident24 Ų2451 Ų5120%0.19826%0.264CS..Hα-helixtrans-64.5-35.9172.500000112.4V599 E600 Q601 G606V599-A603 VanDerWaalsContact O-CB 3.28Å; V599-A603 WeakPolarHBondContact O-CB 3.26Å; V599-A603 PolarHBondContact O-N 2.74Å; E600-A603 PolarHBondContact O-N 2.74Å; Q601-A603 VanDerWaalsContact C-N 3.28Å; Q601-A603 PolarHBondContact O-N 2.83Å; A603-G606 PolarHBondContact O-N 3.47Å
604V68.3Low84.1Confident117 Ų11743.5 Ų43.571%0.70923%0.228SC*.Hα-helixtrans-68.5-36174170.80000111.5E600 Q601 N602 G606E600-V604 WeakPolarHBondContact O-CG2 3.45Å; E600-V604 PolarHBondContact O-N 3.3Å; E600-V604 VanDerWaalsContact O-N 3.11Å; Q601-V604 WeakPolarHBondContact O-CA 3.15Å; Q601-V604 WeakPolarHBondContact O-CB 3.47Å; Q601-V604 PolarHBondContact O-N 2.93Å; N602-V604 VanDerWaalsContact C-N 3.32Å; N602-V604 PolarHBondContact O-N 3.01Å; V604-G606 PolarHBondContact O-N 3.17Å
605E69.5Low84.4Confident113 Ų11340 Ų4053%0.52821%0.21SC..Hα-helixtrans-72.3-11.4173.8-66.3-179.8-162.500112.8Q601 N602 L607Q601-E605 PolarHBondContact NE2-OE1 2.99Å; Q601-E605 PolarHBondContact O-N 2.8Å; N602-E605 CarbonylContact O-C 3.5Å; N602-E605 PolarHBondContact O-N 3.08Å; E605-L607 HydrophobicContact CB-CG 4.45Å
606G69.3Low84.5Confident15 Ų1545.5 Ų45.516%0.15523%0.231CC..THydrogen-bonded Turntrans90.712.217600000115.1N602 A603 V604N602-G606 PolarHBondContact O-N 2.94Å; N602-G606 VanDerWaalsContact O-N 3.08Å; A603-G606 PolarHBondContact O-N 3.47Å; V604-G606 PolarHBondContact O-N 3.17Å
607L80.7Confident84.8Confident12 Ų1241.8 Ų41.86%0.06322%0.215CC..PPolyproline II helixtrans-77.1139.5173.8-52.4176.2000109.6I427 E428 N602 E605 T609 A661 E663I427-L607 HydrophobicContact CG1-CD2 4.32Å; E428-L607 HydrophobicContact CG-CD1 4.33Å; N602-L607 HydrophobicContact CB-CB 4.25Å; N602-L607 HydrophobicContact CB-CD1 4.17Å; N602-L607 WeakPolarHBondContact O-CB 3.46Å; N602-L607 PolarHBondContact O-N 2.94Å; E605-L607 HydrophobicContact CB-CG 4.45Å; L607-T609 PolarHBondContact O-N 2.72Å; L607-A661 HydrophobicContact CB-CB 3.92Å; L607-A661 HydrophobicContact CD1-CB 3.71Å; L607-A661 HydrophobicContact CG-CB 4.41Å; L607-E663 HydrophobicContact CD2-CB 3.63Å; L607-E663 HydrophobicContact CD2-CG 4.05Å
608R82.3Confident85.1Confident51 Ų5141.2 Ų41.219%0.19221%0.208CC..EExtended strand (participates in β ladder)trans-75.1118.9169.6-63.2-177.5-178.2-163.61.9108.5M424 D511 A661 V662 D664M424-R608 VanDerWaalsContact CE-NH2 3.3Å; D511-R608 IonicContact OD1-NH1 3.32Å; D511-R608 PolarHBondContact OD1-NH1 3.07Å; D511-R608 IonicContact OD2-NH1 3.18Å; R608-A661 WeakPolarHBondContact O-CA 3.41Å; R608-V662 HydrophobicContact CB-CB 4.4Å; R608-V662 WeakPolarHBondContact CB-O 3.43Å; R608-V662 PolarHBondContact N-O 3.34Å; R608-V662 PolarHBondContact O-N 3.33Å; R608-D664 IonicContact CZ-OD2 3.62Å; R608-D664 IonicContact NE-OD2 3.17Å; R608-D664 IonicContact NH2-OD2 4Å; R608-D664 PolarHBondContact NH2-OD2 3.49Å
609T86.7Confident85.2Confident22 Ų2244.5 Ų44.514%0.13522%0.223CC..EExtended strand (participates in β ladder)trans-101.9132.2-177.858.70000112.2V599 N602 L607 T660V599-T609 HydrophobicContact CG1-CG2 4.16Å; N602-T609 HydrophobicContact CB-CG2 3.68Å; L607-T609 PolarHBondContact O-N 2.72Å; T609-T660 WeakPolarHBondContact CA-O 3.45Å
610L91.6Very high85.5Confident36 Ų3648.3 Ų48.319%0.18825%0.25CC..EExtended strand (participates in β ladder)trans-123.1130170-64.3166.9000109.9L515 G578 A659 T660L515-L610 HydrophobicContact CD1-CD1 4.03Å; G578-L610 CarbonylContact O-C 3.56Å; G578-L610 WeakPolarHBondContact O-CA 3.46Å; L610-A659 CarbonylContact O-C 3.58Å; L610-A659 WeakPolarHBondContact O-CA 3.24Å; L610-T660 WeakPolarHBondContact CB-OG1 3.42Å; L610-T660 PolarHBondContact N-O 3.46Å; L610-T660 VanDerWaalsContact N-O 3.1Å; L610-T660 PolarHBondContact O-N 3.11Å; L610-T660 PolarHBondContact O-OG1 2.82Å
611C93.6Very high86Confident0 Ų046.1 Ų46.10%024%0.24CC..EExtended strand (participates in β ladder)trans-84.7140.2172.7-68.50000109.6K577 G578 I583 L656K577-C611 WeakPolarHBondContact CA-O 3.24Å; G578-C611 PolarHBondContact N-O 2.75Å; G578-C611 PolarHBondContact O-N 2.87Å; I583-C611 HydrophobicContact CB-CB 3.85Å; I583-C611 HydrophobicContact CG1-CB 4.03Å; I583-C611 HydrophobicContact CG2-CB 3.91Å; C611-L656 HydrophobicContact CB-CD1 4.36Å
612V95.3Very high86.5Confident1 Ų142.7 Ų42.71%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-120.2128.3178.5-171.90000108.5F471 A474 L475 C576 K577 L657 G658 T660F471-V612 HydrophobicContact CD2-CB 4.04Å; F471-V612 HydrophobicContact CD2-CG1 4.33Å; F471-V612 HydrophobicContact CD2-CG2 4.48Å; F471-V612 HydrophobicContact CE2-CB 3.72Å; F471-V612 HydrophobicContact CE2-CG1 4.42Å; F471-V612 HydrophobicContact CE2-CG2 3.77Å; F471-V612 HydrophobicContact CZ-CG2 4.32Å; A474-V612 HydrophobicContact CB-CG1 3.63Å; L475-V612 HydrophobicContact CD2-CG2 3.82Å; L475-V612 HydrophobicContact CG-CG2 4.49Å; C576-V612 WeakPolarHBondContact O-CA 3.46Å; K577-V612 HydrophobicContact CB-CG2 4.43Å; V612-L657 HydrophobicContact CG1-CD1 4.46Å; V612-L657 PolarHBondContact O-N 2.9Å; V612-G658 PolarHBondContact N-O 3.41Å; V612-G658 PolarHBondContact O-N 3.07Å; V612-T660 HydrophobicContact CG2-CG2 4.34Å
613A95.3Very high87Confident0 Ų048 Ų480%025%0.248CC..EExtended strand (participates in β ladder)trans-138.2159-179.200000110.1C576 I583 F654 V655C576-A613 PolarHBondContact N-O 3.29Å; C576-A613 PolarHBondContact O-N 2.9Å; C576-A613 VanDerWaalsContact O-O 3.13Å; I583-A613 HydrophobicContact CG2-CB 3.93Å; A613-F654 HydrophobicContact CB-CB 3.79Å; A613-F654 HydrophobicContact CB-CD1 4.47Å; A613-F654 HydrophobicContact CB-CG 4.2Å; A613-V655 CarbonylContact C-O 3.6Å; A613-V655 VanDerWaalsContact CA-O 3.29Å; A613-V655 WeakPolarHBondContact CA-O 3.39Å; A613-V655 WeakPolarHBondContact CB-O 3.25Å
614Y94.8Very high87.9Confident14 Ų1451.9 Ų51.96%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-137.6159.6177.785.6-62.2000112Y467 L470 M574 R616 V655 L657Y467-Y614 HydrophobicContact CE1-CE1 4.26Å; L470-Y614 HydrophobicContact CD1-CE2 4.15Å; M574-Y614 CarbonylContact O-C 3.53Å; M574-Y614 WeakPolarHBondContact O-CA 3.06Å; Y614-R616 HydrophobicContact CE2-CG 4.14Å; Y614-V655 HydrophobicContact CD1-CB 3.85Å; Y614-V655 HydrophobicContact CD1-CG1 4.36Å; Y614-V655 HydrophobicContact CE1-CB 3.53Å; Y614-V655 HydrophobicContact CE1-CG1 3.69Å; Y614-V655 HydrophobicContact CE1-CG2 4.22Å; Y614-V655 PolarHBondContact N-O 2.9Å; Y614-V655 PolarHBondContact O-N 3.32Å; Y614-L657 HydrophobicContact CD1-CD1 3.82Å; Y614-L657 HydrophobicContact CD1-CD2 3.35Å; Y614-L657 HydrophobicContact CD1-CG 3.5Å; Y614-L657 HydrophobicContact CE1-CD2 3.43Å; Y614-L657 VanDerWaalsContact CE1-CD2 3.43Å; Y614-L657 HydrophobicContact CE1-CG 4.11Å; Y614-L657 HydrophobicContact CG-CD1 4.1Å; Y614-L657 HydrophobicContact CG-CD2 4.29Å; Y614-L657 HydrophobicContact CG-CG 4.28Å
615R93.8Very high88.9Confident38 Ų3846.6 Ų46.614%0.14323%0.23CC..EExtended strand (participates in β ladder)trans-139.6133.4172.8175.4173172.8167.21.9108.9M574 L617 E621 R652 D653 F654M574-R615 HydrophobicContact CB-CB 4.45Å; M574-R615 PolarHBondContact N-O 2.81Å; M574-R615 PolarHBondContact O-N 3.43Å; R615-L617 HydrophobicContact CG-CD2 4.15Å; R615-E621 IonicContact CZ-OE1 2.71Å; R615-E621 IonicContact NH2-OE1 2.56Å; R615-E621 PolarHBondContact NH2-OE1 2.96Å; R615-R652 VanDerWaalsContact CD-O 3.26Å; R615-R652 WeakPolarHBondContact CD-O 3.25Å; R615-R652 PolarHBondContact NH1-O 2.75Å; R615-D653 IonicContact CZ-OD2 3.14Å; R615-D653 IonicContact NH1-OD2 2.71Å; R615-D653 PolarHBondContact NH1-OD2 2.9Å; R615-D653 IonicContact NH2-OD2 2.67Å; R615-F654 HydrophobicContact CB-CD1 3.74Å; R615-F654 HydrophobicContact CB-CE1 4.02Å
616R92.3Very high89.7Confident118 Ų11843 Ų4345%0.44522%0.217SC..EExtended strand (participates in β ladder)trans-81.7129.9166.7-71.7-176.8173.8162.94.5108E466 L573 Y614E466-R616 IonicContact OE1-NH2 3.31Å; E466-R616 PolarHBondContact OE1-NH2 3.48Å; L573-R616 HydrophobicContact CD2-CG 3.71Å; Y614-R616 HydrophobicContact CE2-CG 4.14Å
617L92.2Very high90.7Very high17 Ų1748 Ų489%0.08924%0.236CC..EExtended strand (participates in β ladder)trans-105.8136.8177.6-64172.3000109.7I564 Y572 M574 R615 E621I564-L617 HydrophobicContact CG2-CD1 4.18Å; Y572-L617 PolarHBondContact O-N 2.81Å; M574-L617 HydrophobicContact CB-CD1 4.16Å; M574-L617 HydrophobicContact CB-CG 4.45Å; M574-L617 HydrophobicContact CE-CD1 3.9Å; R615-L617 HydrophobicContact CG-CD2 4.15Å; L617-E621 HydrophobicContact CD2-CB 4.21Å
618S92.9Very high91Very high48 Ų4851.5 Ų51.534%0.33625%0.249SC..  trans-71.9156.5162.762.20000110.5S620 E621 Y622S618-S620 PolarHBondContact O-N 2.83Å; S618-S620 PolarHBondContact OG-OG 2.91Å; S618-S620 VanDerWaalsContact OG-OG 3.08Å; S618-E621 WeakPolarHBondContact CB-OE2 3.21Å; S618-E621 PolarHBondContact N-OE2 3.5Å; S618-E621 PolarHBondContact O-N 2.95Å; S618-E621 VanDerWaalsContact O-N 3.09Å; S618-E621 WeakPolarHBondContact OG-CB 3.35Å; S618-E621 VanDerWaalsContact OG-CD 3.3Å; S618-E621 WeakPolarHBondContact OG-CG 3.26Å; S618-E621 PolarHBondContact OG-N 3.11Å; S618-E621 PolarHBondContact OG-OE2 2.93Å; S618-Y622 PolarHBondContact O-N 3.18Å
619E89.6Confident91.1Very high89 Ų8949.2 Ų49.242%0.41624%0.241SC..Hα-helixtrans-54-38.8175.6179.769.3-136.400111.6Y572 Y622 Q623Y572-E619 HydrophobicContact CE2-CB 4.46Å; Y572-E619 WeakPolarHBondContact CE2-OE2 3.42Å; Y572-E619 PolarHBondContact OH-OE2 3.46Å; E619-Y622 PolarHBondContact O-N 3.07Å; E619-Q623 VanDerWaalsContact O-CG 3.31Å; E619-Q623 WeakPolarHBondContact O-CG 3.29Å; E619-Q623 PolarHBondContact O-N 3.37Å; E619-Q623 PolarHBondContact OE1-NE2 3.03Å
620S91.5Very high90.8Very high82 Ų8251.3 Ų51.357%0.57325%0.253SS*.Hα-helixtrans-65.4-43176.2450000113.2S618 Y622 Q623 E624S618-S620 PolarHBondContact O-N 2.83Å; S618-S620 PolarHBondContact OG-OG 2.91Å; S618-S620 VanDerWaalsContact OG-OG 3.08Å; S620-Y622 VanDerWaalsContact C-N 3.33Å; S620-Q623 PolarHBondContact O-N 2.74Å; S620-E624 PolarHBondContact O-N 2.85Å
621E91Very high90.4Very high65 Ų6554.5 Ų54.530%0.30427%0.267SS..Hα-helixtrans-67.5-36.2177.4-72.3166.9124.200111.3R615 L617 S618 E624 A625R615-E621 IonicContact CZ-OE1 2.71Å; R615-E621 IonicContact NH2-OE1 2.56Å; R615-E621 PolarHBondContact NH2-OE1 2.96Å; L617-E621 HydrophobicContact CD2-CB 4.21Å; S618-E621 WeakPolarHBondContact CB-OE2 3.21Å; S618-E621 PolarHBondContact N-OE2 3.5Å; S618-E621 PolarHBondContact O-N 2.95Å; S618-E621 VanDerWaalsContact O-N 3.09Å; S618-E621 WeakPolarHBondContact OG-CB 3.35Å; S618-E621 VanDerWaalsContact OG-CD 3.3Å; S618-E621 WeakPolarHBondContact OG-CG 3.26Å; S618-E621 PolarHBondContact OG-N 3.11Å; S618-E621 PolarHBondContact OG-OE2 2.93Å; E621-E624 PolarHBondContact O-N 2.99Å; E621-A625 WeakPolarHBondContact O-CB 3.22Å; E621-A625 PolarHBondContact O-N 3.41Å
622Y91.8Very high89.6Confident32 Ų3254.8 Ų54.813%0.12527%0.27CS..Hα-helixtrans-65.2-44.1174.6171-110.5000111.7L549 I564 Y572 S618 E619 S620 E624 A625 C626L549-Y622 HydrophobicContact CB-CE2 4.16Å; L549-Y622 HydrophobicContact CD1-CD2 4.33Å; L549-Y622 HydrophobicContact CD1-CE1 4.32Å; L549-Y622 HydrophobicContact CD1-CE2 3.68Å; I564-Y622 HydrophobicContact CG2-CD2 4.12Å; I564-Y622 HydrophobicContact CG2-CE2 4.19Å; Y572-Y622 HydrophobicContact CD1-CD1 4.04Å; Y572-Y622 HydrophobicContact CD1-CD2 4.24Å; Y572-Y622 HydrophobicContact CD1-CE1 4.46Å; Y572-Y622 AromaticContact CD1-CG 3.92Å; Y572-Y622 HydrophobicContact CD1-CG 3.92Å; Y572-Y622 AromaticContact CE1-CD1 3.66Å; Y572-Y622 HydrophobicContact CE1-CD1 3.66Å; Y572-Y622 AromaticContact CE1-CE1 3.87Å; Y572-Y622 HydrophobicContact CE1-CE1 3.87Å; Y572-Y622 HydrophobicContact CE1-CG 4.04Å; Y572-Y622 HydrophobicContact CG-CG 4.47Å; S618-Y622 PolarHBondContact O-N 3.18Å; E619-Y622 PolarHBondContact O-N 3.07Å; S620-Y622 VanDerWaalsContact C-N 3.33Å; Y622-E624 VanDerWaalsContact C-N 3.32Å; Y622-E624 PolarHBondContact O-N 3.27Å; Y622-A625 PolarHBondContact O-N 3.33Å; Y622-C626 WeakPolarHBondContact O-CB 3.48Å; Y622-C626 PolarHBondContact O-N 2.97Å
623Q92.1Very high88.5Confident115 Ų11559.1 Ų59.154%0.53729%0.288SS..Hα-helixtrans-62.3-39.9176.4-73.5176.512.300111.9E619 S620 C626 H627E619-Q623 VanDerWaalsContact O-CG 3.31Å; E619-Q623 WeakPolarHBondContact O-CG 3.29Å; E619-Q623 PolarHBondContact O-N 3.37Å; E619-Q623 PolarHBondContact OE1-NE2 3.03Å; S620-Q623 PolarHBondContact O-N 2.74Å; Q623-C626 PolarHBondContact O-N 3.2Å; Q623-H627 PolarHBondContact O-N 3.26Å
624E91.4Very high87.4Confident104 Ų10465.3 Ų65.349%0.48632%0.321SS..Hα-helixtrans-64.9-44.7175-158.2-172.2166.600111.6S620 E621 Y622 C626 H627 Y628S620-E624 PolarHBondContact O-N 2.85Å; E621-E624 PolarHBondContact O-N 2.99Å; Y622-E624 VanDerWaalsContact C-N 3.32Å; Y622-E624 PolarHBondContact O-N 3.27Å; E624-C626 VanDerWaalsContact C-N 3.32Å; E624-C626 PolarHBondContact O-N 2.81Å; E624-H627 WeakPolarHBondContact O-CB 3.32Å; E624-H627 PolarHBondContact O-N 2.95Å; E624-Y628 HydrophobicContact CG-CD2 4.16Å; E624-Y628 HydrophobicContact CG-CE2 3.59Å; E624-Y628 WeakPolarHBondContact O-CD2 3.43Å; E624-Y628 PolarHBondContact O-N 3.45Å; E624-Y628 VanDerWaalsContact OE1-CE2 3.31Å; E624-Y628 WeakPolarHBondContact OE1-CE2 3.11Å; E624-Y628 PolarHBondContact OE1-OH 3.37Å
625A88.5Confident86.2Confident6 Ų665.3 Ų65.35%0.0532%0.323CS..Hα-helixtrans-59.9-42.2174.400000111.9E621 Y622 H627 Y628 L629 I650E621-A625 WeakPolarHBondContact O-CB 3.22Å; E621-A625 PolarHBondContact O-N 3.41Å; Y622-A625 PolarHBondContact O-N 3.33Å; A625-H627 VanDerWaalsContact C-N 3.33Å; A625-H627 PolarHBondContact O-N 3.29Å; A625-Y628 PolarHBondContact O-N 2.93Å; A625-L629 WeakPolarHBondContact O-CB 2.99Å; A625-L629 VanDerWaalsContact O-CG 3.23Å; A625-L629 WeakPolarHBondContact O-CG 3.33Å; A625-L629 PolarHBondContact O-N 2.96Å; A625-I650 HydrophobicContact CB-CD1 4.01Å; A625-I650 HydrophobicContact CB-CG1 3.92Å; A625-I650 HydrophobicContact CB-CG2 4.21Å
626C87.9Confident84.1Confident37 Ų3771.8 Ų71.825%0.2536%0.36CS..Hα-helixtrans-62.9-40176.2-171.10000111.6Y622 Q623 E624 L629 T630Y622-C626 WeakPolarHBondContact O-CB 3.48Å; Y622-C626 PolarHBondContact O-N 2.97Å; Q623-C626 PolarHBondContact O-N 3.2Å; E624-C626 VanDerWaalsContact C-N 3.32Å; E624-C626 PolarHBondContact O-N 2.81Å; C626-L629 PolarHBondContact O-N 2.93Å; C626-T630 VanDerWaalsContact O-CB 3.27Å; C626-T630 WeakPolarHBondContact O-CB 3.46Å; C626-T630 PolarHBondContact O-N 2.95Å; C626-T630 PolarHBondContact O-OG1 3.36Å
627H88.5Confident82.5Confident121 Ų12173.2 Ų73.256%0.5637%0.372SS*.Hα-helixtrans-60.9-52.9174.7-175.7-83.5000111.6Q623 E624 A625 L629 T630 E631Q623-H627 PolarHBondContact O-N 3.26Å; E624-H627 WeakPolarHBondContact O-CB 3.32Å; E624-H627 PolarHBondContact O-N 2.95Å; A625-H627 VanDerWaalsContact C-N 3.33Å; A625-H627 PolarHBondContact O-N 3.29Å; H627-L629 VanDerWaalsContact C-N 3.33Å; H627-L629 PolarHBondContact O-N 3.41Å; H627-T630 PolarHBondContact O-N 3.25Å; H627-E631 IonicContact CE1-OE2 3.65Å; H627-E631 IonicContact ND1-OE2 2.81Å; H627-E631 WeakPolarHBondContact O-CB 3.48Å; H627-E631 PolarHBondContact O-N 2.91Å
628Y88.6Confident81.6Confident86 Ų8677.5 Ų77.534%0.33740%0.395SS..Hα-helixtrans-59.7-41.4178-71.9-59000112.7E624 A625 A632 V649E624-Y628 HydrophobicContact CG-CD2 4.16Å; E624-Y628 HydrophobicContact CG-CE2 3.59Å; E624-Y628 WeakPolarHBondContact O-CD2 3.43Å; E624-Y628 PolarHBondContact O-N 3.45Å; E624-Y628 VanDerWaalsContact OE1-CE2 3.31Å; E624-Y628 WeakPolarHBondContact OE1-CE2 3.11Å; E624-Y628 PolarHBondContact OE1-OH 3.37Å; A625-Y628 PolarHBondContact O-N 2.93Å; Y628-A632 VanDerWaalsContact O-CB 3.24Å; Y628-A632 WeakPolarHBondContact O-CB 3.43Å; Y628-A632 PolarHBondContact O-N 3.46Å; Y628-V649 HydrophobicContact CE2-CG1 4.31Å
629L83.5Confident80.5Confident3 Ų381.3 Ų81.32%0.01640%0.402CS..Hα-helixtrans-65.8-42.7178.1-73.1173.4000111.8H550 A625 C626 H627 K633 Y647 I650H550-L629 HydrophobicContact CB-CD1 4.37Å; A625-L629 WeakPolarHBondContact O-CB 2.99Å; A625-L629 VanDerWaalsContact O-CG 3.23Å; A625-L629 WeakPolarHBondContact O-CG 3.33Å; A625-L629 PolarHBondContact O-N 2.96Å; C626-L629 PolarHBondContact O-N 2.93Å; H627-L629 VanDerWaalsContact C-N 3.33Å; H627-L629 PolarHBondContact O-N 3.41Å; L629-K633 WeakPolarHBondContact O-CB 3.29Å; L629-K633 WeakPolarHBondContact O-CG 3.29Å; L629-K633 PolarHBondContact O-N 3.34Å; L629-Y647 HydrophobicContact CD2-CD1 3.73Å; L629-Y647 HydrophobicContact CD2-CE1 3.44Å; L629-Y647 VanDerWaalsContact CD2-CE1 3.44Å; L629-I650 HydrophobicContact CD1-CD1 4.08Å; L629-I650 HydrophobicContact CD2-CD1 3.83Å; L629-I650 HydrophobicContact CG-CD1 3.6Å
630T80.3Confident79.5Confident65 Ų6585 Ų8540%0.39942%0.419SS..Hα-helixtrans-68.1-45.2-179.5-56.50000110.5C626 H627 A632 K633 L634C626-T630 VanDerWaalsContact O-CB 3.27Å; C626-T630 WeakPolarHBondContact O-CB 3.46Å; C626-T630 PolarHBondContact O-N 2.95Å; C626-T630 PolarHBondContact O-OG1 3.36Å; H627-T630 PolarHBondContact O-N 3.25Å; T630-A632 PolarHBondContact O-N 3.08Å; T630-K633 PolarHBondContact O-N 3.01Å; T630-L634 HydrophobicContact CG2-CD1 3.76Å; T630-L634 HydrophobicContact CG2-CG 4.33Å; T630-L634 WeakPolarHBondContact O-CB 3.47Å; T630-L634 VanDerWaalsContact O-CG 3.24Å; T630-L634 WeakPolarHBondContact O-CG 3.4Å; T630-L634 PolarHBondContact O-N 3.13Å
631E83.4Confident78.8Confident104 Ų10486.7 Ų86.749%0.48642%0.418SS..Hα-helixtrans-58.1-46.6175.1-172.5-172.4163.900111.6H627 L634 A635H627-E631 IonicContact CE1-OE2 3.65Å; H627-E631 IonicContact ND1-OE2 2.81Å; H627-E631 WeakPolarHBondContact O-CB 3.48Å; H627-E631 PolarHBondContact O-N 2.91Å; E631-L634 PolarHBondContact O-N 3.3Å; E631-A635 PolarHBondContact O-N 3.36Å
632A77.3Confident78.3Confident6 Ų688.9 Ų88.95%0.0542%0.423CS..Hα-helixtrans-66.8-38.2178.400000112.7Y628 T630 A635 R642 L643 A646Y628-A632 VanDerWaalsContact O-CB 3.24Å; Y628-A632 WeakPolarHBondContact O-CB 3.43Å; Y628-A632 PolarHBondContact O-N 3.46Å; T630-A632 PolarHBondContact O-N 3.08Å; A632-A635 WeakPolarHBondContact O-CB 3.46Å; A632-A635 PolarHBondContact O-N 3.07Å; A632-R642 HydrophobicContact CB-CB 4.23Å; A632-L643 HydrophobicContact CB-CD2 3.77Å; A632-L643 HydrophobicContact CB-CG 4Å; A632-A646 HydrophobicContact CB-CB 4.07Å
633K71.1Confident77.7Confident91 Ų9188.3 Ų88.340%0.39642%0.422SS..Hα-helixtrans-68.2-33.8176.9-76.2174.9-176177.50112.9L629 T630 A635 L643L629-K633 WeakPolarHBondContact O-CB 3.29Å; L629-K633 WeakPolarHBondContact O-CG 3.29Å; L629-K633 PolarHBondContact O-N 3.34Å; T630-K633 PolarHBondContact O-N 3.01Å; K633-A635 VanDerWaalsContact C-N 3.31Å; K633-L643 HydrophobicContact CG-CD2 3.93Å
634L72.8Confident77.3Confident131 Ų13184.5 Ų84.569%0.68641%0.41SS*.Hα-helixtrans-82.1-7.4179.5-67.4174.3000113.2T630 E631 L636T630-L634 HydrophobicContact CG2-CD1 3.76Å; T630-L634 HydrophobicContact CG2-CG 4.33Å; T630-L634 WeakPolarHBondContact O-CB 3.47Å; T630-L634 VanDerWaalsContact O-CG 3.24Å; T630-L634 WeakPolarHBondContact O-CG 3.4Å; T630-L634 PolarHBondContact O-N 3.13Å; E631-L634 PolarHBondContact O-N 3.3Å; L634-L636 PolarHBondContact O-N 2.78Å
635A69.8Low77Confident13 Ų1385 Ų8511%0.10741%0.412CS..  trans-67.3126.8178.600000111.9E631 A632 K633E631-A635 PolarHBondContact O-N 3.36Å; A632-A635 WeakPolarHBondContact O-CB 3.46Å; A632-A635 PolarHBondContact O-N 3.07Å; K633-A635 VanDerWaalsContact C-N 3.31Å
636L50.4Low77.1Confident174 Ų17485.1 Ų85.191%0.91141%0.414SS*.SBendtrans-82.6-22.4179.2-66.1169.6000113.5L634L634-L636 PolarHBondContact O-N 2.78Å
637Q57.5Low77.2Confident149 Ų14984.8 Ų84.870%0.69641%0.407SS*.SBendtrans-124.8142.1178.9-68.5-179-7.300110.1R639Q637-R639 PolarHBondContact O-N 2.63Å
638D73.1Confident77.2Confident106 Ų10681.9 Ų81.957%0.56740%0.396SS*.SBendtrans52.133.3-178.9-55.1-39.7000114.1E640 Q641 R642D638-E640 VanDerWaalsContact C-N 3.33Å; D638-E640 PolarHBondContact O-N 3.12Å; D638-Q641 HydrophobicContact CB-CB 4.29Å; D638-Q641 PolarHBondContact O-N 3.23Å; D638-Q641 VanDerWaalsContact O-N 3.07Å; D638-R642 PolarHBondContact O-N 3.1Å
639R70.1Confident77.2Confident128 Ų12881.1 Ų81.148%0.48340%0.4SS..Hα-helixtrans-52.1-47.9-176.2177.5175.3159.4-171.7-7.7112.5Q637 Q641 R642 L643Q637-R639 PolarHBondContact O-N 2.63Å; R639-Q641 VanDerWaalsContact C-N 3.34Å; R639-Q641 PolarHBondContact O-N 3.38Å; R639-R642 PolarHBondContact O-N 3.16Å; R639-L643 HydrophobicContact CG-CD1 3.85Å; R639-L643 HydrophobicContact CG-CG 4.45Å; R639-L643 WeakPolarHBondContact O-CB 3.19Å; R639-L643 WeakPolarHBondContact O-CG 3.3Å; R639-L643 PolarHBondContact O-N 2.98Å
640E68.6Low77.6Confident166 Ų16681.6 Ų81.678%0.77640%0.403SS*.Hα-helixtrans-61.6-42.2179.1-69.6-174.7167.800112.1D638 L643 A644D638-E640 VanDerWaalsContact C-N 3.33Å; D638-E640 PolarHBondContact O-N 3.12Å; E640-L643 PolarHBondContact O-N 2.77Å; E640-A644 WeakPolarHBondContact O-CB 3.43Å; E640-A644 PolarHBondContact O-N 2.8Å
641Q77.8Confident78.1Confident119 Ų11978.5 Ų78.556%0.55638%0.384SS*.Hα-helixtrans-69-39.8-179.9-164.6175.73.200111.6D638 R639 A644 Q645D638-Q641 HydrophobicContact CB-CB 4.29Å; D638-Q641 PolarHBondContact O-N 3.23Å; D638-Q641 VanDerWaalsContact O-N 3.07Å; R639-Q641 VanDerWaalsContact C-N 3.34Å; R639-Q641 PolarHBondContact O-N 3.38Å; Q641-A644 PolarHBondContact O-N 3.48Å; Q641-Q645 WeakPolarHBondContact O-CG 3.44Å; Q641-Q645 PolarHBondContact O-N 3.19Å
642R80.1Confident78.5Confident111 Ų11179.5 Ų79.542%0.41938%0.383SS..Hα-helixtrans-67.7-39.2174.1-68.2-169.8-169.8-173.33112.3A632 D638 R639 Q645 A646A632-R642 HydrophobicContact CB-CB 4.23Å; D638-R642 PolarHBondContact O-N 3.1Å; R639-R642 PolarHBondContact O-N 3.16Å; R642-Q645 PolarHBondContact O-N 2.76Å; R642-A646 WeakPolarHBondContact O-CB 3.2Å; R642-A646 PolarHBondContact O-N 2.93Å
643L80.1Confident79.2Confident20 Ų2083.4 Ų83.411%0.10540%0.403CS..Hα-helixtrans-61.6-44.8172.9-81.6168.6000111.2A632 K633 R639 E640 Q645 A646 Y647A632-L643 HydrophobicContact CB-CD2 3.77Å; A632-L643 HydrophobicContact CB-CG 4Å; K633-L643 HydrophobicContact CG-CD2 3.93Å; R639-L643 HydrophobicContact CG-CD1 3.85Å; R639-L643 HydrophobicContact CG-CG 4.45Å; R639-L643 WeakPolarHBondContact O-CB 3.19Å; R639-L643 WeakPolarHBondContact O-CG 3.3Å; R639-L643 PolarHBondContact O-N 2.98Å; E640-L643 PolarHBondContact O-N 2.77Å; L643-Q645 VanDerWaalsContact C-N 3.3Å; L643-Q645 PolarHBondContact O-N 3.35Å; L643-A646 PolarHBondContact O-N 3.41Å; L643-Y647 HydrophobicContact CB-CE2 4.34Å; L643-Y647 HydrophobicContact CD2-CE1 4.27Å; L643-Y647 WeakPolarHBondContact O-CB 3.41Å; L643-Y647 WeakPolarHBondContact O-CD1 3.42Å; L643-Y647 WeakPolarHBondContact O-CD2 3.25Å; L643-Y647 PolarHBondContact O-N 3.1Å
644A81.9Confident80.3Confident34 Ų3479 Ų7928%0.28138%0.384SS..Hα-helixtrans-59.7-41175.700000111.9E640 Q641 D648E640-A644 WeakPolarHBondContact O-CB 3.43Å; E640-A644 PolarHBondContact O-N 2.8Å; Q641-A644 PolarHBondContact O-N 3.48Å; A644-D648 WeakPolarHBondContact O-CB 3.49Å; A644-D648 PolarHBondContact O-N 3.47Å
645Q86.8Confident81.3Confident114 Ų11474.2 Ų74.253%0.53336%0.36SS..Hα-helixtrans-63.9-46.8174.4-72.7173.16.400112.2Q641 R642 L643 Y647 D648 V649Q641-Q645 WeakPolarHBondContact O-CG 3.44Å; Q641-Q645 PolarHBondContact O-N 3.19Å; R642-Q645 PolarHBondContact O-N 2.76Å; L643-Q645 VanDerWaalsContact C-N 3.3Å; L643-Q645 PolarHBondContact O-N 3.35Å; Q645-Y647 VanDerWaalsContact C-N 3.34Å; Q645-Y647 PolarHBondContact O-N 3.29Å; Q645-D648 PolarHBondContact O-N 3.47Å; Q645-V649 WeakPolarHBondContact O-CG2 3.45Å; Q645-V649 PolarHBondContact O-N 2.87Å; Q645-V649 VanDerWaalsContact O-N 3.16Å
646A88.9Confident82.4Confident9 Ų973.8 Ų73.87%0.07436%0.356CS..Hα-helixtrans-58.8-46.7176.900000111.1A632 R642 L643 D648 V649 I650A632-A646 HydrophobicContact CB-CB 4.07Å; R642-A646 WeakPolarHBondContact O-CB 3.2Å; R642-A646 PolarHBondContact O-N 2.93Å; L643-A646 PolarHBondContact O-N 3.41Å; A646-D648 VanDerWaalsContact C-N 3.32Å; A646-D648 PolarHBondContact O-N 3.15Å; A646-V649 PolarHBondContact O-N 3.41Å; A646-I650 WeakPolarHBondContact O-CB 3.41Å; A646-I650 WeakPolarHBondContact O-CD1 3.34Å; A646-I650 WeakPolarHBondContact O-CG1 3.35Å; A646-I650 PolarHBondContact O-N 2.86Å
647Y90.5Very high84.5Confident30 Ų3065.7 Ų65.712%0.11831%0.313CS..Hα-helixtrans-58.3-42.7175.3-64.9-17.4000112.5L552 R558 L629 L643 Q645 V649 I650 E651L552-Y647 HydrophobicContact CB-CD1 4.36Å; L552-Y647 HydrophobicContact CB-CE1 4.17Å; L552-Y647 HydrophobicContact CD2-CD1 3.41Å; L552-Y647 VanDerWaalsContact CD2-CD1 3.41Å; L552-Y647 HydrophobicContact CD2-CE1 3.89Å; L552-Y647 HydrophobicContact CD2-CG 4.03Å; L552-Y647 HydrophobicContact CG-CD1 3.75Å; L552-Y647 HydrophobicContact CG-CE1 3.66Å; R558-Y647 VanDerWaalsContact NH1-CB 3.35Å; R558-Y647 VanDerWaalsContact NH1-CG 3.27Å; L629-Y647 HydrophobicContact CD2-CD1 3.73Å; L629-Y647 HydrophobicContact CD2-CE1 3.44Å; L629-Y647 VanDerWaalsContact CD2-CE1 3.44Å; L643-Y647 HydrophobicContact CB-CE2 4.34Å; L643-Y647 HydrophobicContact CD2-CE1 4.27Å; L643-Y647 WeakPolarHBondContact O-CB 3.41Å; L643-Y647 WeakPolarHBondContact O-CD1 3.42Å; L643-Y647 WeakPolarHBondContact O-CD2 3.25Å; L643-Y647 PolarHBondContact O-N 3.1Å; Q645-Y647 VanDerWaalsContact C-N 3.34Å; Q645-Y647 PolarHBondContact O-N 3.29Å; Y647-V649 VanDerWaalsContact C-N 3.28Å; Y647-V649 PolarHBondContact O-N 3.4Å; Y647-I650 PolarHBondContact O-N 2.64Å; Y647-E651 VanDerWaalsContact O-CB 3.22Å; Y647-E651 WeakPolarHBondContact O-CB 3.11Å; Y647-E651 VanDerWaalsContact O-CG 3.24Å; Y647-E651 WeakPolarHBondContact O-CG 3.37Å; Y647-E651 PolarHBondContact O-N 3.32Å
648D88.1Confident86.2Confident61 Ų6158.6 Ų58.633%0.32628%0.28SS..Hα-helixtrans-66.9-27.2-179.2-98.8-5.7000114.2R560 R586 A644 Q645 A646 R652R560-D648 IonicContact CZ-OD1 3.78Å; R560-D648 IonicContact NH2-OD1 2.77Å; R560-D648 PolarHBondContact NH2-OD1 2.94Å; R586-D648 IonicContact CZ-OD1 3.77Å; R586-D648 PolarHBondContact NH1-O 2.88Å; R586-D648 VanDerWaalsContact NH1-O 3.13Å; R586-D648 IonicContact NH1-OD1 3.89Å; R586-D648 IonicContact NH2-OD1 3.67Å; R586-D648 PolarHBondContact NH2-OD1 3.19Å; R586-D648 IonicContact NH2-OD2 2.77Å; A644-D648 WeakPolarHBondContact O-CB 3.49Å; A644-D648 PolarHBondContact O-N 3.47Å; Q645-D648 PolarHBondContact O-N 3.47Å; A646-D648 VanDerWaalsContact C-N 3.32Å; A646-D648 PolarHBondContact O-N 3.15Å; D648-R652 WeakPolarHBondContact O-CG 3.26Å; D648-R652 PolarHBondContact O-NE 2.84Å
649V89.5Confident87.1Confident70 Ų7053.6 Ų53.642%0.42425%0.254SS..Hα-helixtrans-76.8-45.8173.8174.20000110.4Y628 Q645 A646 Y647Y628-V649 HydrophobicContact CE2-CG1 4.31Å; Q645-V649 WeakPolarHBondContact O-CG2 3.45Å; Q645-V649 PolarHBondContact O-N 2.87Å; Q645-V649 VanDerWaalsContact O-N 3.16Å; A646-V649 PolarHBondContact O-N 3.41Å; Y647-V649 VanDerWaalsContact C-N 3.28Å; Y647-V649 PolarHBondContact O-N 3.4Å
650I91.1Very high88.2Confident12 Ų1247.6 Ų47.66%0.06223%0.231CC..Hα-helixtrans-68.6-39.7-177-66165.7000111.6M574 A625 L629 A646 Y647 R652M574-I650 HydrophobicContact CE-CG2 3.19Å; M574-I650 HydrophobicContact SD-CG2 4.22Å; A625-I650 HydrophobicContact CB-CD1 4.01Å; A625-I650 HydrophobicContact CB-CG1 3.92Å; A625-I650 HydrophobicContact CB-CG2 4.21Å; L629-I650 HydrophobicContact CD1-CD1 4.08Å; L629-I650 HydrophobicContact CD2-CD1 3.83Å; L629-I650 HydrophobicContact CG-CD1 3.6Å; A646-I650 WeakPolarHBondContact O-CB 3.41Å; A646-I650 WeakPolarHBondContact O-CD1 3.34Å; A646-I650 WeakPolarHBondContact O-CG1 3.35Å; A646-I650 PolarHBondContact O-N 2.86Å; Y647-I650 PolarHBondContact O-N 2.64Å; I650-R652 VanDerWaalsContact C-N 3.33Å; I650-R652 PolarHBondContact O-N 2.96Å; I650-R652 VanDerWaalsContact O-N 3.07Å
651E92.1Very high89.2Confident0 Ų039.7 Ų39.70%019%0.194CC..SBendtrans-87.962.2-174.4-64.6175.4152.800112.1L552 R558 R560 S562 R586 Y647 F654L552-E651 HydrophobicContact CD2-CG 4.12Å; R558-E651 WeakPolarHBondContact CD-OE2 3.48Å; R558-E651 IonicContact CZ-OE1 2.94Å; R558-E651 VanDerWaalsContact CZ-OE1 3.27Å; R558-E651 IonicContact CZ-OE2 2.63Å; R558-E651 IonicContact NE-OE2 3.25Å; R558-E651 IonicContact NH1-OE1 2.64Å; R558-E651 PolarHBondContact NH1-OE1 2.87Å; R558-E651 IonicContact NH1-OE2 3.95Å; R558-E651 PolarHBondContact NH1-OE2 3.45Å; R558-E651 VanDerWaalsContact NH1-OE2 3.1Å; R558-E651 IonicContact NH2-OE1 3.32Å; R560-E651 IonicContact CZ-OE2 3.8Å; R560-E651 VanDerWaalsContact CZ-OE2 3.24Å; R560-E651 IonicContact NE-OE2 2.75Å; R560-E651 PolarHBondContact NE-OE2 3.28Å; R560-E651 IonicContact NH2-OE2 3.71Å; R560-E651 PolarHBondContact NH2-OE2 2.7Å; S562-E651 WeakPolarHBondContact CB-OE1 3.26Å; S562-E651 PolarHBondContact OG-OE1 3.04Å; R586-E651 VanDerWaalsContact CD-O 3.26Å; R586-E651 WeakPolarHBondContact CD-O 3.46Å; R586-E651 PolarHBondContact NH1-O 2.82Å; Y647-E651 VanDerWaalsContact O-CB 3.22Å; Y647-E651 WeakPolarHBondContact O-CB 3.11Å; Y647-E651 VanDerWaalsContact O-CG 3.24Å; Y647-E651 WeakPolarHBondContact O-CG 3.37Å; Y647-E651 PolarHBondContact O-N 3.32Å; E651-F654 VanDerWaalsContact C-CE2 3.47Å; E651-F654 HydrophobicContact CB-CE2 3.82Å; E651-F654 HydrophobicContact CB-CZ 4.02Å; E651-F654 HydrophobicContact CG-CZ 4.32Å
652R90.1Very high89.6Confident126 Ų12634 Ų3448%0.47517%0.168SC..  trans-128.6169.3174.7-62.9-175.2-177.2-173.6-1.2110.7R615 D648 I650 F654R615-R652 VanDerWaalsContact CD-O 3.26Å; R615-R652 WeakPolarHBondContact CD-O 3.25Å; R615-R652 PolarHBondContact NH1-O 2.75Å; D648-R652 WeakPolarHBondContact O-CG 3.26Å; D648-R652 PolarHBondContact O-NE 2.84Å; I650-R652 VanDerWaalsContact C-N 3.33Å; I650-R652 PolarHBondContact O-N 2.96Å; I650-R652 VanDerWaalsContact O-N 3.07Å; R652-F654 PolarHBondContact O-N 2.87Å
653D92.6Very high89.8Confident87 Ų8732.4 Ų32.447%0.46517%0.165SC..SBendtrans5941.5171.9-40.2-53.2000115.1R586 V588 R615R586-D653 PolarHBondContact O-N 2.9Å; V588-D653 HydrophobicContact CG2-CB 4.07Å; R615-D653 IonicContact CZ-OD2 3.14Å; R615-D653 IonicContact NH1-OD2 2.71Å; R615-D653 PolarHBondContact NH1-OD2 2.9Å; R615-D653 IonicContact NH2-OD2 2.67Å
654F93.9Very high89.7Confident0 Ų032.2 Ų32.20%016%0.164CC..EExtended strand (participates in β ladder)trans-77.9153.1178.9-70.3-69.1000112.9M574 C576 R586 V587 V588 A613 R615 E651 R652M574-F654 HydrophobicContact CG-CE1 4.01Å; M574-F654 HydrophobicContact CG-CZ 4.45Å; M574-F654 HydrophobicContact SD-CE1 3.74Å; M574-F654 HydrophobicContact SD-CZ 3.77Å; C576-F654 HydrophobicContact CB-CD1 4.34Å; C576-F654 HydrophobicContact CB-CE1 3.73Å; C576-F654 HydrophobicContact CB-CE2 4.13Å; C576-F654 HydrophobicContact CB-CZ 3.61Å; R586-F654 HydrophobicContact CB-CD2 4.04Å; R586-F654 PolarHBondContact O-N 2.9Å; V587-F654 CarbonylContact C-O 3.51Å; V587-F654 VanDerWaalsContact CA-O 3.27Å; V587-F654 WeakPolarHBondContact CA-O 3.34Å; V587-F654 HydrophobicContact CG2-CB 4.39Å; V588-F654 PolarHBondContact N-O 2.89Å; A613-F654 HydrophobicContact CB-CB 3.79Å; A613-F654 HydrophobicContact CB-CD1 4.47Å; A613-F654 HydrophobicContact CB-CG 4.2Å; R615-F654 HydrophobicContact CB-CD1 3.74Å; R615-F654 HydrophobicContact CB-CE1 4.02Å; E651-F654 VanDerWaalsContact C-CE2 3.47Å; E651-F654 HydrophobicContact CB-CE2 3.82Å; E651-F654 HydrophobicContact CB-CZ 4.02Å; E651-F654 HydrophobicContact CG-CZ 4.32Å; R652-F654 PolarHBondContact O-N 2.87Å
655V94.1Very high89.7Confident29 Ų2935.7 Ų35.718%0.17617%0.17CC..EExtended strand (participates in β ladder)trans-98.5122.8164.4-174.90000108.1Y467 S589 A613 Y614 L657Y467-V655 HydrophobicContact CE1-CG1 4.49Å; S589-V655 WeakPolarHBondContact O-CA 3.33Å; S589-V655 WeakPolarHBondContact OG-CG1 3.23Å; S589-V655 VanDerWaalsContact OG-CG2 3.29Å; S589-V655 WeakPolarHBondContact OG-CG2 3.27Å; A613-V655 CarbonylContact C-O 3.6Å; A613-V655 VanDerWaalsContact CA-O 3.29Å; A613-V655 WeakPolarHBondContact CA-O 3.39Å; A613-V655 WeakPolarHBondContact CB-O 3.25Å; Y614-V655 HydrophobicContact CD1-CB 3.85Å; Y614-V655 HydrophobicContact CD1-CG1 4.36Å; Y614-V655 HydrophobicContact CE1-CB 3.53Å; Y614-V655 HydrophobicContact CE1-CG1 3.69Å; Y614-V655 HydrophobicContact CE1-CG2 4.22Å; Y614-V655 PolarHBondContact N-O 2.9Å; Y614-V655 PolarHBondContact O-N 3.32Å; V655-L657 PolarHBondContact O-N 3.41Å
656L94.2Very high89.7Confident5 Ų532.6 Ų32.63%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-72.6123.6178.5-179.170.1000109.9I583 F584 V587 S589 V592 V595 C611I583-L656 HydrophobicContact CG2-CD1 4.45Å; F584-L656 HydrophobicContact CE1-CD2 4.05Å; V587-L656 HydrophobicContact CG1-CB 3.68Å; V587-L656 HydrophobicContact CG2-CB 4.03Å; V587-L656 HydrophobicContact CG2-CD1 4.45Å; S589-L656 PolarHBondContact O-N 3.44Å; V592-L656 HydrophobicContact CB-CD2 4.41Å; V592-L656 HydrophobicContact CG2-CD2 4.09Å; V595-L656 HydrophobicContact CB-CD2 3.95Å; V595-L656 HydrophobicContact CG1-CD2 4.08Å; V595-L656 HydrophobicContact CG2-CD2 4.15Å; C611-L656 HydrophobicContact CB-CD1 4.36Å
657L92.9Very high89.7Confident3 Ų332.8 Ų32.82%0.01616%0.156CC..EExtended strand (participates in β ladder)trans-89.1-42.8174.7-66.5174.8000111.2D432 Y467 L470 F471 A474 V612 Y614 V655D432-L657 PolarHBondContact N-O 2.99Å; Y467-L657 HydrophobicContact CD1-CD2 3.86Å; L470-L657 HydrophobicContact CB-CD1 4.44Å; L470-L657 HydrophobicContact CB-CD2 4.23Å; F471-L657 HydrophobicContact CB-CB 4.23Å; F471-L657 HydrophobicContact CB-CD1 4.48Å; F471-L657 HydrophobicContact CD2-CB 3.75Å; F471-L657 HydrophobicContact CG-CB 4.49Å; A474-L657 HydrophobicContact CB-CD1 4.09Å; V612-L657 HydrophobicContact CG1-CD1 4.46Å; V612-L657 PolarHBondContact O-N 2.9Å; Y614-L657 HydrophobicContact CD1-CD1 3.82Å; Y614-L657 HydrophobicContact CD1-CD2 3.35Å; Y614-L657 HydrophobicContact CD1-CG 3.5Å; Y614-L657 HydrophobicContact CE1-CD2 3.43Å; Y614-L657 VanDerWaalsContact CE1-CD2 3.43Å; Y614-L657 HydrophobicContact CE1-CG 4.11Å; Y614-L657 HydrophobicContact CG-CD1 4.1Å; Y614-L657 HydrophobicContact CG-CD2 4.29Å; Y614-L657 HydrophobicContact CG-CG 4.28Å; V655-L657 PolarHBondContact O-N 3.41Å
658G93.5Very high89.6Confident0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans170.3-165.4-174.400000113.8C430 V612C430-G658 CarbonylContact O-C 3.47Å; C430-G658 WeakPolarHBondContact O-CA 3.15Å; V612-G658 PolarHBondContact N-O 3.41Å; V612-G658 PolarHBondContact O-N 3.07Å
659A93.1Very high89.7Confident2 Ų238.7 Ų38.72%0.01718%0.181CC..EExtended strand (participates in β ladder)trans-137.4149.9174.300000111.4C429 C430 V595 V599 L610C429-A659 CarbonylContact C-O 3.47Å; C429-A659 WeakPolarHBondContact CA-O 3.25Å; C429-A659 WeakPolarHBondContact CB-O 3.17Å; C430-A659 PolarHBondContact N-O 2.99Å; C430-A659 PolarHBondContact O-N 3Å; V595-A659 HydrophobicContact CG1-CB 3.74Å; V599-A659 HydrophobicContact CG2-CB 3.39Å; L610-A659 CarbonylContact O-C 3.58Å; L610-A659 WeakPolarHBondContact O-CA 3.24Å
660T92.4Very high89.8Confident1 Ų135.4 Ų35.41%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-107.1155.5173.857.70000110.5F426 C429 F471 L475 L515 T609 L610 V612F426-T660 HydrophobicContact CE2-CG2 3.81Å; C429-T660 HydrophobicContact CB-CG2 4.26Å; F471-T660 HydrophobicContact CE1-CG2 4.32Å; F471-T660 HydrophobicContact CZ-CG2 3.63Å; L475-T660 HydrophobicContact CD1-CG2 3.73Å; L475-T660 HydrophobicContact CD2-CG2 3.88Å; L475-T660 HydrophobicContact CG-CG2 4.41Å; L515-T660 HydrophobicContact CD2-CG2 3.77Å; T609-T660 WeakPolarHBondContact CA-O 3.45Å; L610-T660 WeakPolarHBondContact CB-OG1 3.42Å; L610-T660 PolarHBondContact N-O 3.46Å; L610-T660 VanDerWaalsContact N-O 3.1Å; L610-T660 PolarHBondContact O-N 3.11Å; L610-T660 PolarHBondContact O-OG1 2.82Å; V612-T660 HydrophobicContact CG2-CG2 4.34Å
661A89.2Confident89.7Confident0 Ų035.9 Ų35.90%017%0.167CC..EExtended strand (participates in β ladder)trans-129.9120.6174.800000110I427 E428 N602 L607 R608I427-A661 PolarHBondContact N-O 3.16Å; I427-A661 VanDerWaalsContact N-O 3.13Å; E428-A661 HydrophobicContact CG-CB 3.65Å; E428-A661 PolarHBondContact N-O 3.49Å; E428-A661 PolarHBondContact O-N 3.16Å; N602-A661 HydrophobicContact CB-CB 4.33Å; L607-A661 HydrophobicContact CB-CB 3.92Å; L607-A661 HydrophobicContact CD1-CB 3.71Å; L607-A661 HydrophobicContact CG-CB 4.41Å; R608-A661 WeakPolarHBondContact O-CA 3.41Å
662V86.8Confident89.7Confident1 Ų139 Ų391%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-118.7125.9-177.3177.90000108.8M424 E425 F426 A514 L515 R608M424-V662 HydrophobicContact CB-CG1 3.7Å; M424-V662 HydrophobicContact CG-CG1 4.38Å; M424-V662 HydrophobicContact SD-CG1 4.37Å; E425-V662 CarbonylContact O-C 2.85Å; E425-V662 VanDerWaalsContact O-CA 3.29Å; E425-V662 WeakPolarHBondContact O-CA 3.22Å; E425-V662 WeakPolarHBondContact O-CG1 3.45Å; F426-V662 HydrophobicContact CD2-CG2 4.29Å; A514-V662 HydrophobicContact CB-CG1 4.22Å; L515-V662 HydrophobicContact CD2-CG2 3.98Å; L515-V662 HydrophobicContact CG-CG2 4.4Å; R608-V662 HydrophobicContact CB-CB 4.4Å; R608-V662 WeakPolarHBondContact CB-O 3.43Å; R608-V662 PolarHBondContact N-O 3.34Å; R608-V662 PolarHBondContact O-N 3.33Å
663E83.5Confident90Very high77 Ų7733 Ų3336%0.3616%0.161SC..EExtended strand (participates in β ladder)trans-89.9134.6176.7-171.7177.5-162.700110.8M424 E425 I427 L607 R665M424-E663 WeakPolarHBondContact CA-O 3.38Å; E425-E663 PolarHBondContact N-O 3.29Å; E425-E663 PolarHBondContact O-N 3.38Å; I427-E663 HydrophobicContact CD1-CB 4.1Å; I427-E663 HydrophobicContact CG1-CB 3.48Å; I427-E663 VanDerWaalsContact CG1-CB 3.48Å; L607-E663 HydrophobicContact CD2-CB 3.63Å; L607-E663 HydrophobicContact CD2-CG 4.05Å; E663-R665 HydrophobicContact CG-CG 4.49Å
664D79Confident90Very high15 Ų1528.9 Ų28.98%0.0814%0.139CC..EExtended strand (participates in β ladder)trans-97.497.3167-173.63.3000107.6K415 T420 M424 R608 L666K415-D664 IonicContact NZ-OD2 3.73Å; K415-D664 PolarHBondContact NZ-OD2 3.39Å; T420-D664 WeakPolarHBondContact CB-OD1 3.41Å; T420-D664 HydrophobicContact CG2-CB 4.44Å; T420-D664 PolarHBondContact OG1-OD1 3.37Å; T420-D664 PolarHBondContact OG1-OD2 2.97Å; T420-D664 VanDerWaalsContact OG1-OD2 3.12Å; M424-D664 HydrophobicContact CE-CB 4.1Å; M424-D664 HydrophobicContact SD-CB 3.77Å; R608-D664 IonicContact CZ-OD2 3.62Å; R608-D664 IonicContact NE-OD2 3.17Å; R608-D664 IonicContact NH2-OD2 4Å; R608-D664 PolarHBondContact NH2-OD2 3.49Å; D664-L666 PolarHBondContact O-N 3.38Å
665R82.3Confident89.9Confident108 Ų10830.7 Ų30.741%0.40815%0.147SC..EExtended strand (participates in β ladder)trans-62.5136-170.8-72.8-177171.6-162.5-2.9111.8T420 E421 E425 E663T420-R665 CarbonylContact C-O 3.48Å; T420-R665 WeakPolarHBondContact CA-O 3.17Å; T420-R665 VanDerWaalsContact CB-O 3.3Å; T420-R665 WeakPolarHBondContact CB-O 3.25Å; E421-R665 PolarHBondContact N-O 2.97Å; E425-R665 IonicContact OE1-NH2 3.63Å; E425-R665 IonicContact OE2-CZ 3.32Å; E425-R665 IonicContact OE2-NE 3.69Å; E425-R665 PolarHBondContact OE2-NE 3.2Å; E425-R665 IonicContact OE2-NH2 2.8Å; E425-R665 PolarHBondContact OE2-NH2 2.9Å; E663-R665 HydrophobicContact CG-CG 4.49Å
666L86.3Confident89.9Confident48 Ų4829.5 Ų29.525%0.25114%0.14SC..EExtended strand (participates in β ladder)trans-63.3148.4169.6-72177.1000111.1L419 T420 D664 T698 A701L419-L666 HydrophobicContact CB-CD2 4.46Å; L419-L666 CarbonylContact O-C 3.55Å; L419-L666 WeakPolarHBondContact O-CA 3.23Å; L419-L666 WeakPolarHBondContact O-CD2 3.5Å; T420-L666 HydrophobicContact CG2-CD2 4.23Å; D664-L666 PolarHBondContact O-N 3.38Å; L666-T698 HydrophobicContact CD2-CG2 3.71Å; L666-A701 HydrophobicContact CD1-CB 3.71Å
667Q88.4Confident89.9Confident13 Ų1329.3 Ų29.36%0.06114%0.139CC..PPolyproline II helixtrans-62.2150.2171.2-55.3-154.8-7.200111.7G417 T418 L419 T420 E421 K669 A670G417-Q667 PolarHBondContact O-NE2 3.08Å; T418-Q667 WeakPolarHBondContact O-CG 3.44Å; T418-Q667 PolarHBondContact O-NE2 3.39Å; T418-Q667 VanDerWaalsContact O-NE2 3.14Å; L419-Q667 PolarHBondContact O-N 2.94Å; T420-Q667 PolarHBondContact O-NE2 3.23Å; E421-Q667 HydrophobicContact CG-CB 4.05Å; E421-Q667 HydrophobicContact CG-CG 3.67Å; E421-Q667 WeakPolarHBondContact OE1-CA 2.9Å; Q667-K669 PolarHBondContact O-N 3.47Å; Q667-A670 HydrophobicContact CB-CB 4.32Å; Q667-A670 VanDerWaalsContact O-CB 3.27Å; Q667-A670 WeakPolarHBondContact O-CB 3.47Å; Q667-A670 PolarHBondContact O-N 2.98Å
668E88Confident89.8Confident91 Ų9131.4 Ų31.443%0.42515%0.149SC..THydrogen-bonded Turntrans-48.9126.9174.2-162.2-148.114400111E421 A670 K858E421-E668 PolarHBondContact OE1-N 3.01Å; E668-A670 PolarHBondContact O-N 2.89Å; E668-A670 VanDerWaalsContact O-N 3.09Å; E668-K858 WeakPolarHBondContact O-CB 3.42Å; E668-K858 IonicContact OE2-NZ 3.5Å; E668-K858 PolarHBondContact OE2-NZ 3.38Å
669K91.1Very high89.7Confident125 Ų12536.3 Ų36.354%0.54317%0.17SC..THydrogen-bonded Turntrans57.320.2178.9-61.8170.2-176.2152.70115.2Q667 A671 D672 T673 K858Q667-K669 PolarHBondContact O-N 3.47Å; K669-A671 PolarHBondContact O-N 3.36Å; K669-D672 HydrophobicContact CB-CB 4.42Å; K669-D672 PolarHBondContact O-N 3.17Å; K669-T673 WeakPolarHBondContact O-CB 3.21Å; K669-T673 PolarHBondContact O-N 3.39Å; K669-T673 PolarHBondContact O-OG1 3.2Å; K669-K858 HydrophobicContact CB-CB 4.16Å
670A91Very high89.6Confident1 Ų136.3 Ų36.31%0.00817%0.17CC..Hα-helixtrans-58.1-46.9174.100000112Q667 E668 D672 T673 I674 F857Q667-A670 HydrophobicContact CB-CB 4.32Å; Q667-A670 VanDerWaalsContact O-CB 3.27Å; Q667-A670 WeakPolarHBondContact O-CB 3.47Å; Q667-A670 PolarHBondContact O-N 2.98Å; E668-A670 PolarHBondContact O-N 2.89Å; E668-A670 VanDerWaalsContact O-N 3.09Å; A670-D672 PolarHBondContact O-N 3.15Å; A670-T673 WeakPolarHBondContact O-CB 3.29Å; A670-T673 PolarHBondContact O-N 3.33Å; A670-I674 PolarHBondContact O-N 3.09Å; A670-F857 HydrophobicContact CB-CD1 4.21Å
671A89.5Confident89.4Confident21 Ų2138.3 Ų38.317%0.17419%0.19CC..Hα-helixtrans-63.2-41.3178.700000113.3K669 T673 I674 E675 S702 K703K669-A671 PolarHBondContact O-N 3.36Å; A671-T673 VanDerWaalsContact C-N 3.31Å; A671-T673 PolarHBondContact O-N 2.73Å; A671-I674 PolarHBondContact O-N 3.44Å; A671-E675 WeakPolarHBondContact O-CB 3.44Å; A671-E675 PolarHBondContact O-N 2.93Å; A671-S702 WeakPolarHBondContact CA-O 3.33Å; A671-K703 HydrophobicContact CB-CD 4.29Å; A671-K703 HydrophobicContact CB-CG 4.25Å
672D93.1Very high89.6Confident66 Ų6638.4 Ų38.435%0.35319%0.191SC..Hα-helixtrans-65-36.4175.9175.267.4000111.8K669 A670 S676 K861K669-D672 HydrophobicContact CB-CB 4.42Å; K669-D672 PolarHBondContact O-N 3.17Å; A670-D672 PolarHBondContact O-N 3.15Å; D672-S676 WeakPolarHBondContact O-CB 3.13Å; D672-S676 PolarHBondContact O-N 3.45Å; D672-S676 PolarHBondContact O-OG 3.19Å; D672-K861 IonicContact OD1-NZ 3.71Å; D672-K861 IonicContact OD2-NZ 2.69Å; D672-K861 PolarHBondContact OD2-NZ 3.48Å
673T95Very high89.9Confident1 Ų141 Ų411%0.00620%0.202CC..Hα-helixtrans-64.1-52.4176.4-60.40000110.8K669 A670 A671 E675 S676 L677 F857 L860 K861K669-T673 WeakPolarHBondContact O-CB 3.21Å; K669-T673 PolarHBondContact O-N 3.39Å; K669-T673 PolarHBondContact O-OG1 3.2Å; A670-T673 WeakPolarHBondContact O-CB 3.29Å; A670-T673 PolarHBondContact O-N 3.33Å; A671-T673 VanDerWaalsContact C-N 3.31Å; A671-T673 PolarHBondContact O-N 2.73Å; T673-E675 VanDerWaalsContact C-N 3.32Å; T673-E675 PolarHBondContact O-N 3.29Å; T673-S676 WeakPolarHBondContact O-CB 3.15Å; T673-S676 PolarHBondContact O-N 2.86Å; T673-S676 VanDerWaalsContact O-N 3.15Å; T673-L677 HydrophobicContact CG2-CD1 4.23Å; T673-L677 VanDerWaalsContact O-CG 3.32Å; T673-L677 WeakPolarHBondContact O-CG 3.28Å; T673-L677 PolarHBondContact O-N 3.35Å; T673-F857 HydrophobicContact CG2-CD1 4.04Å; T673-F857 HydrophobicContact CG2-CE1 3.64Å; T673-F857 HydrophobicContact CG2-CZ 4.4Å; T673-L860 HydrophobicContact CG2-CB 4.33Å; T673-K861 HydrophobicContact CG2-CB 3.96Å
674I93.6Very high90.4Very high0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-59.9-42.9177.9-65.3-174.9000111.3L419 A670 A671 S676 L677 H678 L704 F857L419-I674 HydrophobicContact CD1-CD1 4.43Å; L419-I674 HydrophobicContact CD2-CD1 3.87Å; A670-I674 PolarHBondContact O-N 3.09Å; A671-I674 PolarHBondContact O-N 3.44Å; I674-S676 VanDerWaalsContact C-N 3.29Å; I674-S676 PolarHBondContact O-N 3.37Å; I674-L677 PolarHBondContact O-N 3.31Å; I674-H678 PolarHBondContact O-N 3.44Å; I674-L704 HydrophobicContact CG2-CB 4.28Å; I674-L704 HydrophobicContact CG2-CD1 3.85Å; I674-F857 HydrophobicContact CG1-CE1 4.01Å; I674-F857 HydrophobicContact CG1-CZ 4.24Å
675E91.6Very high91.1Very high38 Ų3836.7 Ų36.718%0.17818%0.182CC..Hα-helixtrans-61-40.5177.8-168.9-177.2153.500111.6A671 T673 H678 K679 K703A671-E675 WeakPolarHBondContact O-CB 3.44Å; A671-E675 PolarHBondContact O-N 2.93Å; T673-E675 VanDerWaalsContact C-N 3.32Å; T673-E675 PolarHBondContact O-N 3.29Å; E675-H678 PolarHBondContact O-N 3.14Å; E675-K679 WeakPolarHBondContact O-CG 3.28Å; E675-K679 PolarHBondContact O-N 3.42Å; E675-K679 VanDerWaalsContact OE1-CE 3.31Å; E675-K679 WeakPolarHBondContact OE1-CE 3.41Å; E675-K679 IonicContact OE1-NZ 3.85Å; E675-K679 PolarHBondContact OE1-NZ 2.57Å; E675-K703 IonicContact OE2-NZ 3.26Å; E675-K703 PolarHBondContact OE2-NZ 2.96Å; E675-K703 VanDerWaalsContact OE2-NZ 3.12Å
676S94Very high91.7Very high4 Ų431.6 Ų31.63%0.02816%0.162CC..Hα-helixtrans-67-40.1176.9-59.60000112.2D672 T673 I674 K679 A680 K861 P944D672-S676 WeakPolarHBondContact O-CB 3.13Å; D672-S676 PolarHBondContact O-N 3.45Å; D672-S676 PolarHBondContact O-OG 3.19Å; T673-S676 WeakPolarHBondContact O-CB 3.15Å; T673-S676 PolarHBondContact O-N 2.86Å; T673-S676 VanDerWaalsContact O-N 3.15Å; I674-S676 VanDerWaalsContact C-N 3.29Å; I674-S676 PolarHBondContact O-N 3.37Å; S676-K679 PolarHBondContact O-N 3.19Å; S676-A680 WeakPolarHBondContact O-CB 3.18Å; S676-A680 PolarHBondContact O-N 3.5Å; S676-K861 WeakPolarHBondContact OG-CE 3.22Å; S676-K861 PolarHBondContact OG-NZ 2.87Å; S676-K861 VanDerWaalsContact OG-NZ 3.14Å; S676-P944 VanDerWaalsContact O-CB 3.22Å; S676-P944 WeakPolarHBondContact O-CB 3.35Å
677L93.9Very high92Very high0 Ų029.3 Ų29.30%015%0.15CC..Hα-helixtrans-64.1-41.7175.6-64.9175.3000111.7T673 I674 K679 A680 G681 I682 V684 L860 L864T673-L677 HydrophobicContact CG2-CD1 4.23Å; T673-L677 VanDerWaalsContact O-CG 3.32Å; T673-L677 WeakPolarHBondContact O-CG 3.28Å; T673-L677 PolarHBondContact O-N 3.35Å; I674-L677 PolarHBondContact O-N 3.31Å; L677-K679 PolarHBondContact O-N 3.31Å; L677-A680 CarbonylContact O-C 3.59Å; L677-A680 WeakPolarHBondContact O-CB 3.2Å; L677-A680 PolarHBondContact O-N 2.81Å; L677-G681 PolarHBondContact O-N 3.09Å; L677-I682 HydrophobicContact CB-CB 4.34Å; L677-I682 HydrophobicContact CD2-CD1 3.77Å; L677-I682 WeakPolarHBondContact O-CB 3.46Å; L677-I682 PolarHBondContact O-N 2.93Å; L677-V684 HydrophobicContact CB-CG2 3.99Å; L677-V684 HydrophobicContact CD1-CG2 4.06Å; L677-L860 HydrophobicContact CD1-CD2 4.07Å; L677-L864 HydrophobicContact CD2-CD1 3.82Å
678H90.5Very high92Very high47 Ų4728.7 Ų28.722%0.21815%0.147CC..Hα-helixtrans-61.4-43.3173.5-93.8-67.8000112.3I674 E675 A680 G681 L704 S788I674-H678 PolarHBondContact O-N 3.44Å; E675-H678 PolarHBondContact O-N 3.14Å; H678-A680 VanDerWaalsContact C-N 3.25Å; H678-A680 PolarHBondContact O-N 2.98Å; H678-G681 PolarHBondContact O-N 2.88Å; H678-L704 WeakPolarHBondContact NE2-CD1 3.43Å; H678-S788 PolarHBondContact CE1-O 3.31Å
679K90.9Very high91.5Very high104 Ų10426.4 Ų26.445%0.45215%0.149SC..Hα-helixtrans-62.1-33.6175.2-73.7173.7-174165.70112.3E675 S676 L677 G681 P944E675-K679 WeakPolarHBondContact O-CG 3.28Å; E675-K679 PolarHBondContact O-N 3.42Å; E675-K679 VanDerWaalsContact OE1-CE 3.31Å; E675-K679 WeakPolarHBondContact OE1-CE 3.41Å; E675-K679 IonicContact OE1-NZ 3.85Å; E675-K679 PolarHBondContact OE1-NZ 2.57Å; S676-K679 PolarHBondContact O-N 3.19Å; L677-K679 PolarHBondContact O-N 3.31Å; K679-G681 PolarHBondContact O-N 2.85Å; K679-P944 HydrophobicContact CB-CB 4.05Å; K679-P944 HydrophobicContact CB-CG 4.4Å
680A91.1Very high90.7Very high2 Ų222.5 Ų22.52%0.01713%0.134CC..THydrogen-bonded Turntrans-71.2-5.1172.800000114.1S676 L677 H678 I682 L865 P944 Y947 R948S676-A680 WeakPolarHBondContact O-CB 3.18Å; S676-A680 PolarHBondContact O-N 3.5Å; L677-A680 CarbonylContact O-C 3.59Å; L677-A680 WeakPolarHBondContact O-CB 3.2Å; L677-A680 PolarHBondContact O-N 2.81Å; H678-A680 VanDerWaalsContact C-N 3.25Å; H678-A680 PolarHBondContact O-N 2.98Å; A680-I682 VanDerWaalsContact C-N 3.34Å; A680-I682 HydrophobicContact CB-CD1 4.19Å; A680-I682 HydrophobicContact CB-CG1 4.25Å; A680-L865 HydrophobicContact CB-CD2 3.58Å; A680-P944 VanDerWaalsContact CA-O 3.28Å; A680-P944 WeakPolarHBondContact CA-O 3.46Å; A680-P944 HydrophobicContact CB-CB 4.1Å; A680-P944 WeakPolarHBondContact CB-O 3.06Å; A680-Y947 HydrophobicContact CB-CD1 4.26Å; A680-Y947 HydrophobicContact CB-CG 4.21Å; A680-R948 WeakPolarHBondContact O-CG 3.41Å
681G89.4Confident89.7Confident42 Ų4225.6 Ų25.643%0.43315%0.147SC..THydrogen-bonded Turntrans80.512.9-178.800000114.2L677 H678 K679L677-G681 PolarHBondContact O-N 3.09Å; H678-G681 PolarHBondContact O-N 2.88Å; K679-G681 PolarHBondContact O-N 2.85Å
682I92.6Very high89.3Confident2 Ų226.5 Ų26.51%0.0115%0.148CC..PPolyproline II helixtrans-84.6132.4176.4-58.7171.3000108.6V411 L677 A680 L864 Y947V411-I682 HydrophobicContact CB-CG2 4.25Å; V411-I682 HydrophobicContact CG2-CG2 3.54Å; L677-I682 HydrophobicContact CB-CB 4.34Å; L677-I682 HydrophobicContact CD2-CD1 3.77Å; L677-I682 WeakPolarHBondContact O-CB 3.46Å; L677-I682 PolarHBondContact O-N 2.93Å; A680-I682 VanDerWaalsContact C-N 3.34Å; A680-I682 HydrophobicContact CB-CD1 4.19Å; A680-I682 HydrophobicContact CB-CG1 4.25Å; I682-L864 HydrophobicContact CD1-CD1 4.39Å; I682-Y947 HydrophobicContact CD1-CD1 4.13Å; I682-Y947 HydrophobicContact CD1-CE1 3.8Å; I682-Y947 HydrophobicContact CG1-CD1 4.2Å; I682-Y947 HydrophobicContact CG1-CE1 3.95Å
683K92.4Very high88.5Confident57 Ų5728.3 Ų28.325%0.24815%0.154CC..EExtended strand (participates in β ladder)trans-89.4118.9175.8-66.9179.3-175.2172.60109.8E409 Y410 V411 R785E409-K683 PolarHBondContact O-N 3.26Å; Y410-K683 WeakPolarHBondContact CA-O 3.42Å; Y410-K683 HydrophobicContact CD1-CB 3.9Å; Y410-K683 HydrophobicContact CD1-CD 4.43Å; Y410-K683 HydrophobicContact CE1-CB 3.95Å; Y410-K683 HydrophobicContact CE1-CD 3.66Å; Y410-K683 HydrophobicContact CE1-CG 4.43Å; Y410-K683 HydrophobicContact CE2-CD 4.49Å; Y410-K683 HydrophobicContact CG-CB 4.48Å; Y410-K683 PolarHBondContact OH-NZ 3.37Å; V411-K683 PolarHBondContact N-O 3.02Å; K683-R785 PolarHBondContact NZ-O 3.33Å
684V94.1Very high87.6Confident0 Ų029.3 Ų29.30%016%0.161CC..EExtended strand (participates in β ladder)trans-99.1126.1-180-175.60000109.4V411 T413 L677 L704V411-V684 HydrophobicContact CB-CG2 4.39Å; V411-V684 CarbonylContact O-C 3.56Å; V411-V684 WeakPolarHBondContact O-CA 3.38Å; T413-V684 HydrophobicContact CG2-CG1 4.01Å; L677-V684 HydrophobicContact CB-CG2 3.99Å; L677-V684 HydrophobicContact CD1-CG2 4.06Å; V684-L704 HydrophobicContact CB-CD1 3.76Å; V684-L704 HydrophobicContact CG1-CD1 4.03Å
685W95.2Very high87.1Confident1 Ų129.3 Ų29.30%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-121.7131-178.4-71.725.6000109.1Y410 V411 F412 T413 C784 V790 I803 I807Y410-W685 AromaticContact CD1-CE2 3.88Å; Y410-W685 HydrophobicContact CD1-CZ2 4.12Å; Y410-W685 AromaticContact CD1-NE1 3.81Å; Y410-W685 AromaticContact CE1-CE2 3.78Å; Y410-W685 AromaticContact CE1-CZ2 3.65Å; Y410-W685 HydrophobicContact CE1-CZ2 3.65Å; Y410-W685 AromaticContact CE1-NE1 3.78Å; V411-W685 PolarHBondContact O-N 3.21Å; F412-W685 CarbonylContact C-O 3.47Å; F412-W685 WeakPolarHBondContact CA-O 3.48Å; F412-W685 HydrophobicContact CD1-CB 3.77Å; F412-W685 HydrophobicContact CD1-CD2 4.37Å; F412-W685 HydrophobicContact CD1-CE3 4.12Å; F412-W685 HydrophobicContact CD1-CG 4.31Å; F412-W685 HydrophobicContact CE1-CB 4.13Å; F412-W685 AromaticContact CE1-CD2 3.83Å; F412-W685 HydrophobicContact CE1-CD2 3.83Å; F412-W685 AromaticContact CE1-CE3 3.46Å; F412-W685 HydrophobicContact CE1-CE3 3.46Å; F412-W685 VanDerWaalsContact CE1-CE3 3.46Å; F412-W685 HydrophobicContact CE1-CG 4.17Å; F412-W685 HydrophobicContact CE1-CZ3 4.04Å; F412-W685 HydrophobicContact CZ-CE3 4.49Å; T413-W685 PolarHBondContact N-O 2.66Å; W685-C784 HydrophobicContact CH2-CB 3.45Å; W685-C784 VanDerWaalsContact CH2-CB 3.45Å; W685-C784 HydrophobicContact CZ2-CB 3.77Å; W685-C784 HydrophobicContact CZ3-CB 4.46Å; W685-V790 CarbonylContact C-O 3.3Å; W685-V790 VanDerWaalsContact CA-O 3.27Å; W685-V790 WeakPolarHBondContact CA-O 3.48Å; W685-V790 HydrophobicContact CD2-CB 3.61Å; W685-V790 HydrophobicContact CD2-CG1 4.3Å; W685-V790 HydrophobicContact CD2-CG2 3.85Å; W685-V790 VanDerWaalsContact CE2-CG2 3.47Å; W685-V790 HydrophobicContact CE3-CB 3.93Å; W685-V790 HydrophobicContact CE3-CG1 4.11Å; W685-V790 HydrophobicContact CE3-CG2 4.31Å; W685-V790 HydrophobicContact CG-CB 3.84Å; W685-V790 HydrophobicContact CG-CG2 4.33Å; W685-V790 HydrophobicContact CH2-CG2 4.24Å; W685-V790 HydrophobicContact CZ2-CB 4.37Å; W685-V790 HydrophobicContact CZ2-CG2 3.7Å; W685-V790 HydrophobicContact CZ3-CB 4.49Å; W685-V790 HydrophobicContact CZ3-CG1 4.43Å; W685-I803 HydrophobicContact CE3-CG2 4.15Å; W685-I803 HydrophobicContact CZ3-CG2 4.03Å; W685-I807 HydrophobicContact CH2-CD1 3.31Å; W685-I807 HydrophobicContact CH2-CG1 3.73Å; W685-I807 HydrophobicContact CZ2-CD1 4.13Å; W685-I807 HydrophobicContact CZ3-CD1 3.89Å; W685-I807 HydrophobicContact CZ3-CG1 3.82Å
686V94.8Very high86.8Confident0 Ų028.2 Ų28.20%016%0.158CC..EExtended strand (participates in β ladder)trans-101.3121-179.4179.90000109T413 K415 L419 L704 V790 L791 C792T413-V686 HydrophobicContact CG2-CB 4.43Å; T413-V686 HydrophobicContact CG2-CG2 3.76Å; T413-V686 WeakPolarHBondContact O-CA 3.24Å; K415-V686 HydrophobicContact CB-CG1 4.08Å; L419-V686 HydrophobicContact CD1-CG2 4.04Å; V686-L704 HydrophobicContact CB-CD2 4.49Å; V686-L704 HydrophobicContact CG2-CD2 3.51Å; V686-V790 PolarHBondContact N-O 2.89Å; V686-L791 HydrophobicContact CB-CD1 3.8Å; V686-L791 HydrophobicContact CG1-CD1 3.78Å; V686-L791 WeakPolarHBondContact O-CA 3.31Å; V686-C792 PolarHBondContact O-N 3.46Å
687L92.9Very high86.1Confident0 Ų028.4 Ų28.40%016%0.16CC..EExtended strand (participates in β ladder)trans-116.494.3-178.9-53.9-172.9000109.9F412 T413 C792 K800 I803 M828F412-L687 HydrophobicContact CB-CD1 4.15Å; F412-L687 HydrophobicContact CD1-CD1 3.94Å; F412-L687 HydrophobicContact CD1-CG 4.34Å; F412-L687 HydrophobicContact CG-CD1 4.32Å; T413-L687 PolarHBondContact O-N 3.13Å; L687-C792 HydrophobicContact CD2-CB 3.58Å; L687-C792 WeakPolarHBondContact CD2-SG 3.44Å; L687-K800 HydrophobicContact CB-CD 4.3Å; L687-K800 HydrophobicContact CB-CG 4.24Å; L687-K800 HydrophobicContact CD1-CB 4.27Å; L687-K800 WeakPolarHBondContact O-CE 3.32Å; L687-K800 PolarHBondContact O-NZ 3.05Å; L687-K800 VanDerWaalsContact O-NZ 3.15Å; L687-I803 HydrophobicContact CD1-CB 4.3Å; L687-I803 HydrophobicContact CD1-CG2 4.03Å; L687-I803 HydrophobicContact CD2-CG2 4.12Å; L687-M828 HydrophobicContact CB-SD 4.47Å; L687-M828 HydrophobicContact CD1-SD 3.72Å; L687-M828 HydrophobicContact CG-SD 4.46Å
688T87.3Confident85.7Confident0 Ų029 Ų290%016%0.164CC..  trans-118.8152.1-171.4-175.90000113.8K415 D690 A695 L791 C792 C793 R794 M795K415-T688 HydrophobicContact CB-CG2 4.44Å; T688-D690 VanDerWaalsContact C-N 3.28Å; T688-D690 HydrophobicContact CG2-CB 4.21Å; T688-D690 WeakPolarHBondContact OG1-CB 3.33Å; T688-D690 PolarHBondContact OG1-N 3.38Å; T688-A695 HydrophobicContact CG2-CB 3.64Å; T688-L791 HydrophobicContact CG2-CD1 4.14Å; T688-C792 PolarHBondContact N-O 2.87Å; T688-C793 CarbonylContact O-C 3.53Å; T688-R794 PolarHBondContact O-N 3Å; T688-M795 WeakPolarHBondContact O-CB 3.2Å; T688-M795 PolarHBondContact O-N 3.09Å
689G78.1Confident85.6Confident44 Ų4426.9 Ų26.945%0.45415%0.154SC..SBendtrans-77.4-11167.500000113.8R794G689-R794 WeakPolarHBondContact O-CA 3.49Å
690D73.3Confident85.2Confident43 Ų4326.9 Ų26.923%0.2315%0.152CC..SBendtrans-73.9169.3-171.5-75.2-2.5000113.9K415 T416 T688 R794K415-D690 VanDerWaalsContact CD-OD2 3.27Å; K415-D690 WeakPolarHBondContact CD-OD2 3.5Å; K415-D690 VanDerWaalsContact CE-OD2 3.28Å; K415-D690 WeakPolarHBondContact CE-OD2 3.42Å; K415-D690 IonicContact NZ-OD2 2.85Å; K415-D690 PolarHBondContact NZ-OD2 3.38Å; T416-D690 PolarHBondContact OG1-OD2 3.45Å; T688-D690 VanDerWaalsContact C-N 3.28Å; T688-D690 HydrophobicContact CG2-CB 4.21Å; T688-D690 WeakPolarHBondContact OG1-CB 3.33Å; T688-D690 PolarHBondContact OG1-N 3.38Å; D690-R794 WeakPolarHBondContact O-CG 3.42Å; D690-R794 PolarHBondContact O-N 3.37Å; D690-R794 VanDerWaalsContact O-N 3.08Å
691K71.1Confident84.9Confident65 Ų6529.4 Ų29.428%0.28317%0.173SC..  trans-60.8152.8170.3-70.6-173.8-177.6178.50110.7D580 E693 A695D580-K691 IonicContact OD1-NZ 3.26Å; K691-E693 PolarHBondContact O-N 3.18Å; K691-A695 VanDerWaalsContact O-CB 3.28Å; K691-A695 WeakPolarHBondContact O-CB 3.48Å; K691-A695 PolarHBondContact O-N 2.84Å; K691-A695 VanDerWaalsContact O-N 3.09Å
692M80.3Confident84.7Confident41 Ų4127.4 Ų27.420%0.20215%0.152CC..Hα-helixtrans-63.3-42.9-176.5172178160.300112.1A695 A696 E713 T715 I754 C793M692-A695 PolarHBondContact O-N 2.94Å; M692-A696 VanDerWaalsContact O-CB 3.24Å; M692-A696 WeakPolarHBondContact O-CB 3.23Å; M692-A696 PolarHBondContact O-N 2.93Å; M692-E713 HydrophobicContact CE-CG 4.12Å; M692-E713 WeakPolarHBondContact CE-OE1 3.31Å; M692-T715 HydrophobicContact CE-CG2 4.15Å; M692-T715 HydrophobicContact SD-CG2 3.51Å; M692-T715 VanDerWaalsContact SD-CG2 3.51Å; M692-I754 HydrophobicContact CE-CD1 4.08Å; M692-I754 HydrophobicContact CE-CG2 3.97Å; M692-I754 HydrophobicContact CG-CG2 3.86Å; M692-I754 HydrophobicContact SD-CG2 3.9Å; M692-C793 HydrophobicContact CB-CB 4.34Å
693E77.1Confident84.3Confident103 Ų10332.3 Ų32.348%0.48117%0.173SC..Hα-helixtrans-64.8-51.6-174.4-57.877.3-16900110.4K691 A695 A696 A697K691-E693 PolarHBondContact O-N 3.18Å; E693-A695 PolarHBondContact O-N 3.41Å; E693-A696 PolarHBondContact O-N 3.27Å; E693-A697 PolarHBondContact O-N 2.64Å
694T76.1Confident84.1Confident23 Ų2329.8 Ų29.814%0.14116%0.163CC..Hα-helixtrans-59.3-46.4176.1-48.60000111.5A696 A697 T698T694-A696 PolarHBondContact O-N 3.44Å; T694-A697 PolarHBondContact O-N 2.75Å; T694-T698 PolarHBondContact O-N 3.49Å; T694-T698 PolarHBondContact O-OG1 3.45Å; T694-T698 VanDerWaalsContact O-OG1 3.04Å
695A83.2Confident83.8Confident0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-65.9-38.3-179.500000112.4T688 K691 M692 E693 T698 C699 L791T688-A695 HydrophobicContact CG2-CB 3.64Å; K691-A695 VanDerWaalsContact O-CB 3.28Å; K691-A695 WeakPolarHBondContact O-CB 3.48Å; K691-A695 PolarHBondContact O-N 2.84Å; K691-A695 VanDerWaalsContact O-N 3.09Å; M692-A695 PolarHBondContact O-N 2.94Å; E693-A695 PolarHBondContact O-N 3.41Å; A695-T698 PolarHBondContact O-N 3.4Å; A695-C699 PolarHBondContact O-N 3.33Å; A695-C699 PolarHBondContact O-SG 3.29Å; A695-L791 HydrophobicContact CB-CD1 3.84Å; A695-L791 HydrophobicContact CB-CD2 3.94Å; A695-L791 HydrophobicContact CB-CG 4.42Å
696A84Confident83.2Confident14 Ų1435.3 Ų35.312%0.11618%0.184CC..Hα-helixtrans-64.2-43.1175.100000111.2M692 E693 T694 C699 Y700 I754 L791M692-A696 VanDerWaalsContact O-CB 3.24Å; M692-A696 WeakPolarHBondContact O-CB 3.23Å; M692-A696 PolarHBondContact O-N 2.93Å; E693-A696 PolarHBondContact O-N 3.27Å; T694-A696 PolarHBondContact O-N 3.44Å; A696-C699 WeakPolarHBondContact O-CA 3.38Å; A696-C699 WeakPolarHBondContact O-CB 3.29Å; A696-C699 PolarHBondContact O-N 3.31Å; A696-C699 VanDerWaalsContact O-N 3.12Å; A696-Y700 WeakPolarHBondContact O-CD2 3.49Å; A696-Y700 PolarHBondContact O-N 3.34Å; A696-I754 HydrophobicContact CB-CD1 4.34Å; A696-L791 HydrophobicContact CB-CD2 4.24Å
697A80.3Confident82.3Confident8 Ų847.3 Ų47.37%0.06623%0.229CC..Hα-helixtrans-64.1-42.4176.700000112.4E693 T694 C699 Y700 A701E693-A697 PolarHBondContact O-N 2.64Å; T694-A697 PolarHBondContact O-N 2.75Å; A697-C699 VanDerWaalsContact C-N 3.26Å; A697-C699 PolarHBondContact O-N 2.83Å; A697-Y700 PolarHBondContact O-N 3.23Å; A697-Y700 VanDerWaalsContact O-N 3.1Å; A697-A701 WeakPolarHBondContact O-CB 3.13Å; A697-A701 PolarHBondContact O-N 2.89Å
698T84.5Confident81.5Confident14 Ų1451.4 Ų51.49%0.08626%0.257CS..Hα-helixtrans-59.7-37.1171.3-50.70000111.6K415 T420 L666 T694 A695 A701 S702K415-T698 HydrophobicContact CD-CG2 4.34Å; K415-T698 HydrophobicContact CG-CG2 3.87Å; T420-T698 HydrophobicContact CG2-CG2 4.19Å; L666-T698 HydrophobicContact CD2-CG2 3.71Å; T694-T698 PolarHBondContact O-N 3.49Å; T694-T698 PolarHBondContact O-OG1 3.45Å; T694-T698 VanDerWaalsContact O-OG1 3.04Å; A695-T698 PolarHBondContact O-N 3.4Å; T698-A701 PolarHBondContact O-N 3.24Å; T698-S702 WeakPolarHBondContact O-CB 3.46Å; T698-S702 PolarHBondContact O-N 2.97Å; T698-S702 PolarHBondContact O-OG 3.02Å
699C88.2Confident81.3Confident2 Ų252 Ų521%0.01426%0.261CS..Hα-helixtrans-66-35.6174.9-68.20000112.7A695 A696 A697 S702 K703 L704 F705A695-C699 PolarHBondContact O-N 3.33Å; A695-C699 PolarHBondContact O-SG 3.29Å; A696-C699 WeakPolarHBondContact O-CA 3.38Å; A696-C699 WeakPolarHBondContact O-CB 3.29Å; A696-C699 PolarHBondContact O-N 3.31Å; A696-C699 VanDerWaalsContact O-N 3.12Å; A697-C699 VanDerWaalsContact C-N 3.26Å; A697-C699 PolarHBondContact O-N 2.83Å; C699-S702 WeakPolarHBondContact CA-OG 3.46Å; C699-S702 PolarHBondContact O-OG 3.3Å; C699-K703 PolarHBondContact O-N 2.91Å; C699-L704 HydrophobicContact CB-CB 4.18Å; C699-L704 HydrophobicContact CB-CD2 4.1Å; C699-L704 WeakPolarHBondContact O-CB 3.34Å; C699-L704 PolarHBondContact O-N 3.49Å; C699-F705 HydrophobicContact CB-CD2 3.47Å; C699-F705 VanDerWaalsContact CB-CD2 3.47Å; C699-F705 HydrophobicContact CB-CE2 3.78Å; C699-F705 HydrophobicContact CB-CG 4.09Å; C699-F705 PolarHBondContact O-N 3.13Å; C699-F705 VanDerWaalsContact O-N 3.09Å
700Y84.4Confident81.7Confident103 Ų10353.9 Ų53.940%0.40426%0.258SS..Hα-helixtrans-69.8-45.2172.3-74.9-67.6000112A696 A697 S702 K703 F705A696-Y700 WeakPolarHBondContact O-CD2 3.49Å; A696-Y700 PolarHBondContact O-N 3.34Å; A697-Y700 PolarHBondContact O-N 3.23Å; A697-Y700 VanDerWaalsContact O-N 3.1Å; Y700-S702 VanDerWaalsContact C-N 3.32Å; Y700-S702 PolarHBondContact O-N 2.81Å; Y700-K703 PolarHBondContact O-N 2.85Å; Y700-F705 HydrophobicContact CD1-CB 3.7Å; Y700-F705 WeakPolarHBondContact CD1-O 3.11Å; Y700-F705 HydrophobicContact CE1-CB 3.57Å; Y700-F705 HydrophobicContact CG-CB 4.29Å
701A83.4Confident82.4Confident56 Ų5653.8 Ų53.846%0.46326%0.257SS..Hα-helixtrans-62.7-39.117900000112.1L666 A697 T698 K703L666-A701 HydrophobicContact CD1-CB 3.71Å; A697-A701 WeakPolarHBondContact O-CB 3.13Å; A697-A701 PolarHBondContact O-N 2.89Å; T698-A701 PolarHBondContact O-N 3.24Å; A701-K703 PolarHBondContact O-N 2.7Å
702S85.4Confident83.2Confident0 Ų051.1 Ų51.10%025%0.246CC..THydrogen-bonded Turntrans-79.83.6175.766.30000113.9A671 T698 C699 Y700 L704A671-S702 WeakPolarHBondContact CA-O 3.33Å; T698-S702 WeakPolarHBondContact O-CB 3.46Å; T698-S702 PolarHBondContact O-N 2.97Å; T698-S702 PolarHBondContact O-OG 3.02Å; C699-S702 WeakPolarHBondContact CA-OG 3.46Å; C699-S702 PolarHBondContact O-OG 3.3Å; Y700-S702 VanDerWaalsContact C-N 3.32Å; Y700-S702 PolarHBondContact O-N 2.81Å; S702-L704 PolarHBondContact O-N 3.39Å
703K84.9Confident83.5Confident104 Ų10453 Ų5345%0.45225%0.254SS..THydrogen-bonded Turntrans5821.5-178.1-57.1177.6175.9176.80114.8A671 E675 C699 Y700 A701A671-K703 HydrophobicContact CB-CD 4.29Å; A671-K703 HydrophobicContact CB-CG 4.25Å; E675-K703 IonicContact OE2-NZ 3.26Å; E675-K703 PolarHBondContact OE2-NZ 2.96Å; E675-K703 VanDerWaalsContact OE2-NZ 3.12Å; C699-K703 PolarHBondContact O-N 2.91Å; Y700-K703 PolarHBondContact O-N 2.85Å; A701-K703 PolarHBondContact O-N 2.7Å
704L87.6Confident83.9Confident5 Ų548.1 Ų48.13%0.02623%0.231CC..SBendtrans-67.8-46.9170.4-175.274.4000110.4I674 H678 V684 V686 C699 S702 A789I674-L704 HydrophobicContact CG2-CB 4.28Å; I674-L704 HydrophobicContact CG2-CD1 3.85Å; H678-L704 WeakPolarHBondContact NE2-CD1 3.43Å; V684-L704 HydrophobicContact CB-CD1 3.76Å; V684-L704 HydrophobicContact CG1-CD1 4.03Å; V686-L704 HydrophobicContact CB-CD2 4.49Å; V686-L704 HydrophobicContact CG2-CD2 3.51Å; C699-L704 HydrophobicContact CB-CB 4.18Å; C699-L704 HydrophobicContact CB-CD2 4.1Å; C699-L704 WeakPolarHBondContact O-CB 3.34Å; C699-L704 PolarHBondContact O-N 3.49Å; S702-L704 PolarHBondContact O-N 3.39Å; L704-A789 HydrophobicContact CD1-CB 3.85Å; L704-A789 HydrophobicContact CD2-CB 4.18Å; L704-A789 HydrophobicContact CG-CB 3.71Å
705F87.1Confident84Confident3 Ų347.7 Ų47.71%0.01323%0.229CC..SBendtrans-97.1129.8168.3-64.6-33000109.8C699 Y700 T709 I711 I754 A789 L791C699-F705 HydrophobicContact CB-CD2 3.47Å; C699-F705 VanDerWaalsContact CB-CD2 3.47Å; C699-F705 HydrophobicContact CB-CE2 3.78Å; C699-F705 HydrophobicContact CB-CG 4.09Å; C699-F705 PolarHBondContact O-N 3.13Å; C699-F705 VanDerWaalsContact O-N 3.09Å; Y700-F705 HydrophobicContact CD1-CB 3.7Å; Y700-F705 WeakPolarHBondContact CD1-O 3.11Å; Y700-F705 HydrophobicContact CE1-CB 3.57Å; Y700-F705 HydrophobicContact CG-CB 4.29Å; F705-T709 HydrophobicContact CD1-CG2 4.37Å; F705-I711 HydrophobicContact CB-CD1 4.42Å; F705-I711 HydrophobicContact CD1-CD1 3.88Å; F705-I711 HydrophobicContact CD2-CD1 3.98Å; F705-I711 HydrophobicContact CE1-CD1 4.07Å; F705-I711 HydrophobicContact CE2-CD1 4.17Å; F705-I711 HydrophobicContact CG-CD1 3.84Å; F705-I711 HydrophobicContact CZ-CD1 4.22Å; F705-I754 HydrophobicContact CE2-CD1 4.16Å; F705-I754 HydrophobicContact CE2-CG1 4.18Å; F705-I754 HydrophobicContact CZ-CG1 4.19Å; F705-A789 HydrophobicContact CD1-CB 4.06Å; F705-A789 HydrophobicContact CE1-CB 3.72Å; F705-L791 HydrophobicContact CE2-CB 4.18Å; F705-L791 HydrophobicContact CE2-CD2 4.12Å; F705-L791 HydrophobicContact CZ-CB 3.88Å
706R82.3Confident83.5Confident113 Ų11353.1 Ų53.143%0.42625%0.252SS..  trans-95.5157.6172.3-60.4178.9-178.6-133.2-4.1108.7S708 T709R706-S708 PolarHBondContact O-N 3.36Å; R706-S708 VanDerWaalsContact O-N 3.11Å; R706-T709 PolarHBondContact N-OG1 3.48Å; R706-T709 VanDerWaalsContact N-OG1 3.07Å; R706-T709 VanDerWaalsContact O-CB 3.27Å; R706-T709 WeakPolarHBondContact O-CB 3.41Å; R706-T709 PolarHBondContact O-N 2.93Å; R706-T709 PolarHBondContact O-OG1 2.9Å
707R76.8Confident82.7Confident253 Ų25359.9 Ų59.996%0.95528%0.279SS*.THydrogen-bonded Turntrans-59.8-22.2172.9-67.5-174.8177.9178.7-1.3113.1
708S76.9Confident82.1Confident85 Ų8562.5 Ų62.559%0.59429%0.287SS*.THydrogen-bonded Turntrans-86-6.6174.9590000114.2R706R706-S708 PolarHBondContact O-N 3.36Å; R706-S708 VanDerWaalsContact O-N 3.11Å
709T82.4Confident81Confident12 Ų1263.4 Ų63.47%0.07429%0.293CS..PPolyproline II helixtrans-78.7126.2-177.9-55.40000109.9F705 R706 I711 D750F705-T709 HydrophobicContact CD1-CG2 4.37Å; R706-T709 PolarHBondContact N-OG1 3.48Å; R706-T709 VanDerWaalsContact N-OG1 3.07Å; R706-T709 VanDerWaalsContact O-CB 3.27Å; R706-T709 WeakPolarHBondContact O-CB 3.41Å; R706-T709 PolarHBondContact O-N 2.93Å; R706-T709 PolarHBondContact O-OG1 2.9Å; T709-I711 HydrophobicContact CG2-CD1 4.04Å; T709-I711 PolarHBondContact O-N 2.97Å; T709-D750 CarbonylContact C-O 3.41Å; T709-D750 VanDerWaalsContact CA-O 3.32Å; T709-D750 WeakPolarHBondContact CA-O 3.38Å; T709-D750 HydrophobicContact CG2-CB 4.35Å; T709-D750 WeakPolarHBondContact CG2-O 3.37Å
710Q86.1Confident79.7Confident85 Ų8571.2 Ų71.240%0.39733%0.327SS..EExtended strand (participates in β ladder)trans-82.1116.2174.5-171.9174.65.100109.7D750 F751 G752Q710-D750 PolarHBondContact N-O 3.44Å; Q710-F751 HydrophobicContact CB-CD1 4.01Å; Q710-F751 HydrophobicContact CB-CE1 4.21Å; Q710-F751 HydrophobicContact CG-CD1 4.39Å; Q710-F751 HydrophobicContact CG-CE1 4.37Å; Q710-F751 WeakPolarHBondContact O-CA 3.27Å; Q710-F751 VanDerWaalsContact OE1-CE1 3.26Å; Q710-G752 PolarHBondContact O-N 3.42Å
711I87.9Confident78.4Confident41 Ų4173.2 Ų73.221%0.2134%0.34CS..EExtended strand (participates in β ladder)trans-86.1126.2-177.6-54.1-58.9000110.5F705 T709 E713 I754F705-I711 HydrophobicContact CB-CD1 4.42Å; F705-I711 HydrophobicContact CD1-CD1 3.88Å; F705-I711 HydrophobicContact CD2-CD1 3.98Å; F705-I711 HydrophobicContact CE1-CD1 4.07Å; F705-I711 HydrophobicContact CE2-CD1 4.17Å; F705-I711 HydrophobicContact CG-CD1 3.84Å; F705-I711 HydrophobicContact CZ-CD1 4.22Å; T709-I711 HydrophobicContact CG2-CD1 4.04Å; T709-I711 PolarHBondContact O-N 2.97Å; I711-E713 HydrophobicContact CG2-CG 4.04Å; I711-I754 HydrophobicContact CG2-CD1 3.5Å; I711-I754 HydrophobicContact CG2-CG1 3.74Å
712L88.5Confident77.5Confident9 Ų974.8 Ų74.85%0.04734%0.338CS..EExtended strand (participates in β ladder)trans-100.8120.2173-55.2-179.2000108.1L731 V735 F751 G752 L753 I754L712-L731 HydrophobicContact CB-CD2 3.92Å; L712-L731 HydrophobicContact CD1-CD2 4.32Å; L712-L731 HydrophobicContact CD2-CD2 3.82Å; L712-L731 HydrophobicContact CG-CD2 4.21Å; L712-V735 HydrophobicContact CD1-CG2 3.57Å; L712-F751 HydrophobicContact CD1-CB 4.33Å; L712-F751 HydrophobicContact CD1-CD1 4.18Å; L712-F751 HydrophobicContact CD2-CD1 4.19Å; L712-F751 HydrophobicContact CG-CD1 4.25Å; L712-G752 WeakPolarHBondContact CB-O 3.47Å; L712-G752 PolarHBondContact N-O 3.47Å; L712-L753 HydrophobicContact CB-CD1 3.83Å; L712-L753 CarbonylContact O-C 3.49Å; L712-L753 WeakPolarHBondContact O-CA 3.41Å; L712-L753 WeakPolarHBondContact O-CD1 3.5Å; L712-I754 PolarHBondContact O-N 3.01Å
713E86.8Confident77Confident79 Ų7977.6 Ų77.637%0.36936%0.357SS..EExtended strand (participates in β ladder)trans-107.2124-177.7-63.8-175.2176.700112M692 I711 T715 R718M692-E713 HydrophobicContact CE-CG 4.12Å; M692-E713 WeakPolarHBondContact CE-OE1 3.31Å; I711-E713 HydrophobicContact CG2-CG 4.04Å; E713-T715 HydrophobicContact CB-CG2 4.3Å; E713-R718 WeakPolarHBondContact O-CD 3.46Å; E713-R718 PolarHBondContact O-NH1 3.43Å
714L84.6Confident76.7Confident1 Ų174.3 Ų74.31%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-113.973.7170.8-79.1172.1000109V727 L728 L731 L753 I754 I755 D756 T759 F780L714-V727 HydrophobicContact CD2-CG1 3.71Å; L714-L728 HydrophobicContact CD1-CD2 3.98Å; L714-L728 HydrophobicContact CD2-CD2 4.06Å; L714-L728 HydrophobicContact CD2-CG 4.42Å; L714-L731 HydrophobicContact CD1-CD1 4.14Å; L714-L731 HydrophobicContact CD2-CD1 3.52Å; L714-L731 HydrophobicContact CG-CD1 3.57Å; L714-L753 HydrophobicContact CD1-CD1 3.88Å; L714-L753 HydrophobicContact CD1-CD2 4.45Å; L714-L753 HydrophobicContact CG-CD1 4.24Å; L714-I754 PolarHBondContact N-O 3.15Å; L714-I755 HydrophobicContact CB-CB 4.21Å; L714-I755 HydrophobicContact CB-CD1 4.32Å; L714-I755 HydrophobicContact CB-CG1 4.06Å; L714-I755 HydrophobicContact CD1-CD1 4.26Å; L714-I755 WeakPolarHBondContact O-CA 3.44Å; L714-D756 PolarHBondContact O-N 3.08Å; L714-T759 HydrophobicContact CB-CG2 4.5Å; L714-F780 HydrophobicContact CD1-CD2 4.21Å; L714-F780 HydrophobicContact CD1-CE2 4.29Å
715T79.4Confident76.2Confident15 Ų1576.7 Ų76.79%0.09236%0.355CS..  trans-110.2157-176.264.50000112.2M692 E713 K717 R718 T719 D756M692-T715 HydrophobicContact CE-CG2 4.15Å; M692-T715 HydrophobicContact SD-CG2 3.51Å; M692-T715 VanDerWaalsContact SD-CG2 3.51Å; E713-T715 HydrophobicContact CB-CG2 4.3Å; T715-K717 PolarHBondContact O-N 3.03Å; T715-K717 VanDerWaalsContact O-N 3.14Å; T715-R718 PolarHBondContact O-N 3.08Å; T715-R718 VanDerWaalsContact O-N 3.17Å; T715-T719 PolarHBondContact O-N 3.13Å; T715-T719 PolarHBondContact O-OG1 3.17Å; T715-T719 VanDerWaalsContact O-OG1 3.05Å; T715-D756 WeakPolarHBondContact CA-OD1 3.45Å
716K71.3Confident75.7Confident113 Ų11381 Ų8149%0.49138%0.378SS..Hα-helixtrans-55.2-27.9171.5-165.3173.1-174.6177.60113.8T719 K720 D756 A758 T759K716-T719 VanDerWaalsContact CA-OG1 3.25Å; K716-T719 WeakPolarHBondContact CA-OG1 3.46Å; K716-T719 PolarHBondContact O-OG1 2.89Å; K716-K720 VanDerWaalsContact O-CG 3.26Å; K716-K720 WeakPolarHBondContact O-CG 3.25Å; K716-K720 PolarHBondContact O-N 3.49Å; K716-D756 WeakPolarHBondContact CB-OD2 3.39Å; K716-D756 PolarHBondContact N-OD1 3.2Å; K716-D756 PolarHBondContact N-OD2 2.84Å; K716-A758 HydrophobicContact CD-CB 4.46Å; K716-T759 PolarHBondContact N-OG1 3.49Å
717K68.1Low75.6Confident156 Ų15675.6 Ų75.668%0.67836%0.358SS*.Hα-helixtrans-66.4-50.8177.6-169.5179.5177.9-174.70110.1T715 K720T715-K717 PolarHBondContact O-N 3.03Å; T715-K717 VanDerWaalsContact O-N 3.14Å; K717-K720 PolarHBondContact O-N 2.85Å
718R66.7Low75.8Confident63 Ų6363.6 Ų63.624%0.23831%0.313CS..Hα-helixtrans-68-37.4179.1-164.4178.4178.3177.52.1113E713 T715 K720 E721 Q722 V727 E730E713-R718 WeakPolarHBondContact O-CD 3.46Å; E713-R718 PolarHBondContact O-NH1 3.43Å; T715-R718 PolarHBondContact O-N 3.08Å; T715-R718 VanDerWaalsContact O-N 3.17Å; R718-K720 VanDerWaalsContact C-N 3.29Å; R718-K720 PolarHBondContact O-N 3.41Å; R718-E721 PolarHBondContact O-N 3.04Å; R718-Q722 PolarHBondContact O-N 3.2Å; R718-V727 HydrophobicContact CG-CG2 4.49Å; R718-E730 IonicContact NH2-OE2 3.37Å; R718-E730 PolarHBondContact NH2-OE2 3.33Å
719T62Low76.1Confident34 Ų3465.2 Ų65.221%0.20931%0.309CS..Hα-helixtrans-76.9-10.5178.754.20000114.4T715 K716 Q722 L724 T759T715-T719 PolarHBondContact O-N 3.13Å; T715-T719 PolarHBondContact O-OG1 3.17Å; T715-T719 VanDerWaalsContact O-OG1 3.05Å; K716-T719 VanDerWaalsContact CA-OG1 3.25Å; K716-T719 WeakPolarHBondContact CA-OG1 3.46Å; K716-T719 PolarHBondContact O-OG1 2.89Å; T719-Q722 CarbonylContact C-O 3.52Å; T719-Q722 VanDerWaalsContact C-O 3.3Å; T719-Q722 WeakPolarHBondContact CA-O 3.47Å; T719-L724 HydrophobicContact CG2-CD1 4.05Å; T719-T759 HydrophobicContact CG2-CG2 4.08Å
720K61.1Low76.1Confident165 Ų16568.8 Ų68.872%0.71733%0.325SS*.Hα-helixtrans-80.7-29.5166.1-80.5177.4176.2-169.30112.2K716 K717 R718K716-K720 VanDerWaalsContact O-CG 3.26Å; K716-K720 WeakPolarHBondContact O-CG 3.25Å; K716-K720 PolarHBondContact O-N 3.49Å; K717-K720 PolarHBondContact O-N 2.85Å; R718-K720 VanDerWaalsContact C-N 3.29Å; R718-K720 PolarHBondContact O-N 3.41Å
721E58Low75.9Confident145 Ų14565 Ų6568%0.67831%0.307SS*.Hα-helixtrans-85.4-30.2-178.9-67.5169.7-173.700112.1R718R718-E721 PolarHBondContact O-N 3.04Å
722Q63.5Low75.6Confident90 Ų9063.8 Ų63.842%0.42130%0.301SS..SBendtrans-135.6151.9179.7-67.8176.5-21.800111.2R718 T719 V727R718-Q722 PolarHBondContact O-N 3.2Å; T719-Q722 CarbonylContact C-O 3.52Å; T719-Q722 VanDerWaalsContact C-O 3.3Å; T719-Q722 WeakPolarHBondContact CA-O 3.47Å; Q722-V727 HydrophobicContact CB-CG2 3.7Å
723S76.1Confident75.3Confident58 Ų5871 Ų7141%0.40633%0.328SS..  trans-63.1141.917790.80000110.8H725 D726 V727S723-H725 PolarHBondContact O-N 3.3Å; S723-H725 VanDerWaalsContact O-N 3.11Å; S723-D726 WeakPolarHBondContact CB-OD2 3.4Å; S723-D726 PolarHBondContact O-N 3.24Å; S723-D726 VanDerWaalsContact O-N 3.08Å; S723-D726 PolarHBondContact OG-N 3.12Å; S723-D726 PolarHBondContact OG-OD2 2.89Å; S723-V727 PolarHBondContact O-N 2.8Å
724L77Confident75Confident35 Ų3569.4 Ų69.418%0.18332%0.324CS..Hα-helixtrans-54.3-33.2179.7-174.8114.4000112.3T719 L728 T759 A762 V763 Y776T719-L724 HydrophobicContact CG2-CD1 4.05Å; L724-L728 HydrophobicContact CD2-CD1 3.8Å; L724-L728 HydrophobicContact CG-CD1 4.08Å; L724-L728 WeakPolarHBondContact O-CB 3.29Å; L724-L728 WeakPolarHBondContact O-CG 3.35Å; L724-L728 PolarHBondContact O-N 3.32Å; L724-L728 VanDerWaalsContact O-N 3.12Å; L724-T759 HydrophobicContact CD1-CG2 3.78Å; L724-A762 HydrophobicContact CD1-CB 4.29Å; L724-V763 HydrophobicContact CD1-CG2 4.24Å; L724-V763 HydrophobicContact CD2-CG2 4.33Å; L724-Y776 HydrophobicContact CD2-CD2 3.92Å; L724-Y776 HydrophobicContact CD2-CE2 4.09Å
725H76.9Confident74.6Confident55 Ų5569.6 Ų69.626%0.25533%0.325SS..Hα-helixtrans-62.8-50177.6-170.186.4000111.9S723 V727 L728 F729 Y776S723-H725 PolarHBondContact O-N 3.3Å; S723-H725 VanDerWaalsContact O-N 3.11Å; H725-V727 PolarHBondContact O-N 3.43Å; H725-L728 PolarHBondContact O-N 3.39Å; H725-F729 WeakPolarHBondContact O-CB 3.48Å; H725-F729 PolarHBondContact O-N 3.25Å; H725-Y776 AromaticContact CE1-CE1 3.96Å; H725-Y776 AromaticContact ND1-CE1 3.21Å; H725-Y776 WeakPolarHBondContact ND1-CE1 3.33Å; H725-Y776 AromaticContact ND1-CZ 3.53Å; H725-Y776 PolarHBondContact ND1-OH 3Å
726D77.7Confident74.3Confident94 Ų9472.3 Ų72.350%0.50334%0.339SS..Hα-helixtrans-64.9-42.4-176.2-60.3-40.1000111S723 F729 E730S723-D726 WeakPolarHBondContact CB-OD2 3.4Å; S723-D726 PolarHBondContact O-N 3.24Å; S723-D726 VanDerWaalsContact O-N 3.08Å; S723-D726 PolarHBondContact OG-N 3.12Å; S723-D726 PolarHBondContact OG-OD2 2.89Å; D726-F729 PolarHBondContact O-N 3.46Å; D726-E730 VanDerWaalsContact O-CB 3.23Å; D726-E730 WeakPolarHBondContact O-CB 3.32Å; D726-E730 PolarHBondContact O-N 2.8Å
727V80.5Confident74.1Confident0 Ų075 Ų750%035%0.346CS..Hα-helixtrans-63.5-47.1178.1-177.10000111L714 R718 Q722 S723 H725 F729 E730 L731L714-V727 HydrophobicContact CD2-CG1 3.71Å; R718-V727 HydrophobicContact CG-CG2 4.49Å; Q722-V727 HydrophobicContact CB-CG2 3.7Å; S723-V727 PolarHBondContact O-N 2.8Å; H725-V727 PolarHBondContact O-N 3.43Å; V727-F729 VanDerWaalsContact C-N 3.34Å; V727-F729 PolarHBondContact O-N 2.85Å; V727-E730 PolarHBondContact O-N 2.9Å; V727-L731 HydrophobicContact CG1-CD1 4Å; V727-L731 HydrophobicContact CG1-CG 4.39Å; V727-L731 WeakPolarHBondContact O-CB 3.14Å; V727-L731 WeakPolarHBondContact O-CG 3.41Å; V727-L731 PolarHBondContact O-N 2.98Å
728L81.1Confident73.8Confident1 Ų170.4 Ų70.41%0.00533%0.327CS..Hα-helixtrans-63-40.8178.5-79.1169.5000112L714 L724 H725 N732 V763 Y776 I779 I783L714-L728 HydrophobicContact CD1-CD2 3.98Å; L714-L728 HydrophobicContact CD2-CD2 4.06Å; L714-L728 HydrophobicContact CD2-CG 4.42Å; L724-L728 HydrophobicContact CD2-CD1 3.8Å; L724-L728 HydrophobicContact CG-CD1 4.08Å; L724-L728 WeakPolarHBondContact O-CB 3.29Å; L724-L728 WeakPolarHBondContact O-CG 3.35Å; L724-L728 PolarHBondContact O-N 3.32Å; L724-L728 VanDerWaalsContact O-N 3.12Å; H725-L728 PolarHBondContact O-N 3.39Å; L728-N732 WeakPolarHBondContact O-CB 3.47Å; L728-N732 PolarHBondContact O-N 3.1Å; L728-V763 HydrophobicContact CD1-CG2 4.32Å; L728-Y776 HydrophobicContact CD1-CD1 4.47Å; L728-Y776 HydrophobicContact CD1-CG 4.36Å; L728-I779 HydrophobicContact CB-CG2 4.43Å; L728-I783 HydrophobicContact CD2-CD1 4.03Å
729F81.6Confident73.3Confident119 Ų11975.7 Ų75.752%0.52235%0.347SS..Hα-helixtrans-71.1-39.9-179.9-163.3-93.1000112.2H725 D726 V727 N732 R733H725-F729 WeakPolarHBondContact O-CB 3.48Å; H725-F729 PolarHBondContact O-N 3.25Å; D726-F729 PolarHBondContact O-N 3.46Å; V727-F729 VanDerWaalsContact C-N 3.34Å; V727-F729 PolarHBondContact O-N 2.85Å; F729-N732 PolarHBondContact O-N 2.65Å; F729-R733 WeakPolarHBondContact O-CB 3.37Å; F729-R733 PolarHBondContact O-N 2.92Å
730E83.2Confident72.9Confident87 Ų8779.2 Ų79.241%0.40737%0.373SS..Hα-helixtrans-59-48.4172.9-177.7-174.3-158.100111.1R718 D726 V727 R733 T734R718-E730 IonicContact NH2-OE2 3.37Å; R718-E730 PolarHBondContact NH2-OE2 3.33Å; D726-E730 VanDerWaalsContact O-CB 3.23Å; D726-E730 WeakPolarHBondContact O-CB 3.32Å; D726-E730 PolarHBondContact O-N 2.8Å; V727-E730 PolarHBondContact O-N 2.9Å; E730-R733 PolarHBondContact O-N 3.21Å; E730-T734 WeakPolarHBondContact O-CB 3.11Å; E730-T734 PolarHBondContact O-N 3.06Å; E730-T734 PolarHBondContact O-OG1 3.28Å
731L81.8Confident72.4Confident4 Ų476.9 Ų76.92%0.02137%0.367CS..Hα-helixtrans-62.9-45.9177.9-70.9177.1000111.4L712 L714 V727 R733 T734 V735 I783L712-L731 HydrophobicContact CB-CD2 3.92Å; L712-L731 HydrophobicContact CD1-CD2 4.32Å; L712-L731 HydrophobicContact CD2-CD2 3.82Å; L712-L731 HydrophobicContact CG-CD2 4.21Å; L714-L731 HydrophobicContact CD1-CD1 4.14Å; L714-L731 HydrophobicContact CD2-CD1 3.52Å; L714-L731 HydrophobicContact CG-CD1 3.57Å; V727-L731 HydrophobicContact CG1-CD1 4Å; V727-L731 HydrophobicContact CG1-CG 4.39Å; V727-L731 WeakPolarHBondContact O-CB 3.14Å; V727-L731 WeakPolarHBondContact O-CG 3.41Å; V727-L731 PolarHBondContact O-N 2.98Å; L731-R733 VanDerWaalsContact C-N 3.32Å; L731-R733 PolarHBondContact O-N 3.29Å; L731-T734 PolarHBondContact O-N 3.18Å; L731-V735 VanDerWaalsContact O-CG2 3.31Å; L731-V735 WeakPolarHBondContact O-CG2 3.28Å; L731-V735 PolarHBondContact O-N 3.26Å; L731-I783 HydrophobicContact CB-CD1 4.02Å
732N82.4Confident71.7Confident16 Ų1672.2 Ų72.29%0.08635%0.35CS..Hα-helixtrans-60.6-43.5177.5-164.324.2000111.3L728 F729 T734 V735 L736 I779 E782 I783L728-N732 WeakPolarHBondContact O-CB 3.47Å; L728-N732 PolarHBondContact O-N 3.1Å; F729-N732 PolarHBondContact O-N 2.65Å; N732-T734 VanDerWaalsContact C-N 3.34Å; N732-T734 PolarHBondContact O-N 3.4Å; N732-V735 PolarHBondContact O-N 3.4Å; N732-L736 VanDerWaalsContact O-CB 3.29Å; N732-L736 WeakPolarHBondContact O-CB 3.48Å; N732-L736 VanDerWaalsContact O-CG 3.22Å; N732-L736 WeakPolarHBondContact O-CG 3.43Å; N732-L736 PolarHBondContact O-N 3Å; N732-L736 WeakPolarHBondContact OD1-CD1 3.48Å; N732-I779 HydrophobicContact CB-CG2 4.01Å; N732-E782 PolarHBondContact ND2-OE2 3.5Å; N732-I783 HydrophobicContact CB-CD1 4.2Å; N732-I783 HydrophobicContact CB-CG1 4.09Å
733R82.3Confident70.9Confident161 Ų16171.3 Ų71.361%0.60837%0.365SS*.Hα-helixtrans-63-40.3176.7-173.4176.9179.3174-0.2112.2F729 E730 L731 R737F729-R733 WeakPolarHBondContact O-CB 3.37Å; F729-R733 PolarHBondContact O-N 2.92Å; E730-R733 PolarHBondContact O-N 3.21Å; L731-R733 VanDerWaalsContact C-N 3.32Å; L731-R733 PolarHBondContact O-N 3.29Å; R733-R737 WeakPolarHBondContact O-CB 3.49Å; R733-R737 PolarHBondContact O-N 3.35Å
734T80.5Confident69.2Low45 Ų4576.9 Ų76.928%0.27639%0.39SS..Hα-helixtrans-61.5-49.6178.2-56.20000110.4E730 L731 N732 Q738E730-T734 WeakPolarHBondContact O-CB 3.11Å; E730-T734 PolarHBondContact O-N 3.06Å; E730-T734 PolarHBondContact O-OG1 3.28Å; L731-T734 PolarHBondContact O-N 3.18Å; N732-T734 VanDerWaalsContact C-N 3.34Å; N732-T734 PolarHBondContact O-N 3.4Å; T734-Q738 PolarHBondContact O-OE1 3.18Å
735V76.1Confident67.2Low6 Ų678.4 Ų78.44%0.03640%0.403CS..Hα-helixtrans-64.9-42.9179.6172.90000112.1L712 L731 N732 N786L712-V735 HydrophobicContact CD1-CG2 3.57Å; L731-V735 VanDerWaalsContact O-CG2 3.31Å; L731-V735 WeakPolarHBondContact O-CG2 3.28Å; L731-V735 PolarHBondContact O-N 3.26Å; N732-V735 PolarHBondContact O-N 3.4Å; V735-N786 HydrophobicContact CG1-CB 3.23Å; V735-N786 WeakPolarHBondContact CG1-ND2 3.49Å
736L72.3Confident65.5Low71 Ų7182.8 Ų82.837%0.37243%0.433SS..Hα-helixtrans-72.3-38.5-179.4-71.3172.8000113.1N732 Q738 R739N732-L736 VanDerWaalsContact O-CB 3.29Å; N732-L736 WeakPolarHBondContact O-CB 3.48Å; N732-L736 VanDerWaalsContact O-CG 3.22Å; N732-L736 WeakPolarHBondContact O-CG 3.43Å; N732-L736 PolarHBondContact O-N 3Å; N732-L736 WeakPolarHBondContact OD1-CD1 3.48Å; L736-Q738 VanDerWaalsContact C-N 3.32Å; L736-Q738 PolarHBondContact O-N 3.45Å; L736-R739 PolarHBondContact O-N 2.99Å
737R67.1Low63.8Low170 Ų17085 Ų8564%0.64245%0.445SS*.Hα-helixtrans-65-35.1-176.3-170.8177.7-175.7-175.2-0.6112.2R733R733-R737 WeakPolarHBondContact O-CB 3.49Å; R733-R737 PolarHBondContact O-N 3.35Å
738Q61.7Low62.5Low60 Ų6089.7 Ų89.728%0.2848%0.477SS..Hα-helixtrans-74.4-30.5179.8-116.5139.7-31.900112.9T734 L736 S740 I741 S742 F751T734-Q738 PolarHBondContact O-OE1 3.18Å; L736-Q738 VanDerWaalsContact C-N 3.32Å; L736-Q738 PolarHBondContact O-N 3.45Å; Q738-S740 VanDerWaalsContact C-N 3.35Å; Q738-S740 PolarHBondContact O-N 2.79Å; Q738-I741 PolarHBondContact O-N 2.63Å; Q738-S742 PolarHBondContact O-N 2.93Å; Q738-S742 VanDerWaalsContact O-N 3.15Å; Q738-F751 HydrophobicContact CB-CZ 4.41Å
739R56.3Low61.5Low173 Ų17394 Ų9465%0.65350%0.499SS*.Hα-helixtrans-68.2-32.7177.6-159.8176.6-177.5175.4-0.2113.1L736 I741 S742 N786L736-R739 PolarHBondContact O-N 2.99Å; R739-I741 PolarHBondContact O-N 3.19Å; R739-S742 PolarHBondContact O-N 3.09Å; R739-N786 PolarHBondContact NH1-OD1 2.88Å; R739-N786 VanDerWaalsContact NH1-OD1 3.12Å
740S53Low61.3Low108 Ų10891.2 Ų91.276%0.75549%0.49SS*.THydrogen-bonded Turntrans-65.9-20.7174.9-174.40000113.2Q738Q738-S740 VanDerWaalsContact C-N 3.35Å; Q738-S740 PolarHBondContact O-N 2.79Å
741I51.4Low61.5Low117 Ų11787.8 Ų87.860%0.647%0.474SS*.THydrogen-bonded Turntrans-95.2-33.4-179.1-59.2170.2000110.4Q738 R739 G743Q738-I741 PolarHBondContact O-N 2.63Å; R739-I741 PolarHBondContact O-N 3.19Å; I741-G743 PolarHBondContact O-N 3.44Å; I741-G743 VanDerWaalsContact O-N 3.14Å
742S44Very low61.9Low46 Ų4687.6 Ų87.632%0.32247%0.473SS..THydrogen-bonded Turntrans-72.55.5-179.8-81.40000116.5Q738 R739 L744Q738-S742 PolarHBondContact O-N 2.93Å; Q738-S742 VanDerWaalsContact O-N 3.15Å; R739-S742 PolarHBondContact O-N 3.09Å; S742-L744 PolarHBondContact O-N 3.35Å
743G47Very low62.4Low72 Ų7286.8 Ų86.874%0.74247%0.469SS*.THydrogen-bonded Turntrans-62.8-14.9168.100000113.7I741I741-G743 PolarHBondContact O-N 3.44Å; I741-G743 VanDerWaalsContact O-N 3.14Å
744L40.1Very low62.9Low175 Ų17579.4 Ų79.492%0.91644%0.441SS*.SBendtrans-124.1-7-172.6-106.988.8000116.4S742S742-L744 PolarHBondContact O-N 3.35Å
745S34.6Very low63.4Low67 Ų6777.3 Ų77.347%0.46943%0.428SS..  trans-132.7138.4-174.661.90000113.8D747S745-D747 PolarHBondContact O-N 2.95Å
746V41.6Very low63.9Low146 Ų14678.2 Ų78.289%0.88543%0.433SS*.SBendtrans-73.9-17-168.6175.60000114.5C748V746-C748 PolarHBondContact O-N 3.27Å
747D41.2Very low64.3Low142 Ų14274.9 Ų74.976%0.75942%0.416SS*.  trans-93.395.1178.6-69.6-25.5000111.1S745 L749S745-D747 PolarHBondContact O-N 2.95Å; D747-L749 PolarHBondContact O-N 3.33Å
748C54.1Low64.9Low98 Ų9869.4 Ų69.466%0.66241%0.407SS*.PPolyproline II helixtrans-74.4116.7169.9-167.10000108.6V746 D750V746-C748 PolarHBondContact O-N 3.27Å; C748-D750 PolarHBondContact O-N 3.26Å
749L58.9Low66Low90 Ų9066.8 Ų66.847%0.47140%0.395SS..PPolyproline II helixtrans-66.3121.3168-76.5161.9000108.7D747D747-L749 PolarHBondContact O-N 3.33Å
750D77.3Confident67.4Low61 Ų6158.5 Ų58.533%0.32636%0.364SS..PPolyproline II helixtrans-80124.9176.7-86.2-31.3000109.9T709 Q710 C748T709-D750 CarbonylContact C-O 3.41Å; T709-D750 VanDerWaalsContact CA-O 3.32Å; T709-D750 WeakPolarHBondContact CA-O 3.38Å; T709-D750 HydrophobicContact CG2-CB 4.35Å; T709-D750 WeakPolarHBondContact CG2-O 3.37Å; Q710-D750 PolarHBondContact N-O 3.44Å; C748-D750 PolarHBondContact O-N 3.26Å
751F87.8Confident68.9Low15 Ų1555.1 Ų55.17%0.06634%0.34CS..EExtended strand (participates in β ladder)trans-100.7133.1174-64.7-80.5000111.1Q710 L712 Q738 C787 S788Q710-F751 HydrophobicContact CB-CD1 4.01Å; Q710-F751 HydrophobicContact CB-CE1 4.21Å; Q710-F751 HydrophobicContact CG-CD1 4.39Å; Q710-F751 HydrophobicContact CG-CE1 4.37Å; Q710-F751 WeakPolarHBondContact O-CA 3.27Å; Q710-F751 VanDerWaalsContact OE1-CE1 3.26Å; L712-F751 HydrophobicContact CD1-CB 4.33Å; L712-F751 HydrophobicContact CD1-CD1 4.18Å; L712-F751 HydrophobicContact CD2-CD1 4.19Å; L712-F751 HydrophobicContact CG-CD1 4.25Å; Q738-F751 HydrophobicContact CB-CZ 4.41Å; F751-C787 CarbonylContact O-C 3.01Å; F751-C787 WeakPolarHBondContact O-CA 3.39Å; F751-C787 WeakPolarHBondContact O-CB 3.44Å; F751-S788 PolarHBondContact O-N 2.88Å; F751-S788 PolarHBondContact O-OG 3.18Å
752G89.8Confident70.4Confident0 Ų051.9 Ų51.90%033%0.33CS..EExtended strand (participates in β ladder)trans-106.9145.7168.300000110.4Q710 L712 A789Q710-G752 PolarHBondContact O-N 3.42Å; L712-G752 WeakPolarHBondContact CB-O 3.47Å; L712-G752 PolarHBondContact N-O 3.47Å; G752-A789 WeakPolarHBondContact CA-O 3.02Å
753L92.5Very high72.3Confident0 Ų049.8 Ų49.80%032%0.316CS..EExtended strand (participates in β ladder)trans-116.3133.1174.7-175.170.4000110.6L712 L714 F780 I783 C784 C787 A789 V790 L791L712-L753 HydrophobicContact CB-CD1 3.83Å; L712-L753 CarbonylContact O-C 3.49Å; L712-L753 WeakPolarHBondContact O-CA 3.41Å; L712-L753 WeakPolarHBondContact O-CD1 3.5Å; L714-L753 HydrophobicContact CD1-CD1 3.88Å; L714-L753 HydrophobicContact CD1-CD2 4.45Å; L714-L753 HydrophobicContact CG-CD1 4.24Å; L753-F780 HydrophobicContact CD2-CE2 3.93Å; L753-I783 HydrophobicContact CD1-CG2 4.24Å; L753-I783 HydrophobicContact CD2-CG2 4.28Å; L753-C784 WeakPolarHBondContact CD2-SG 3.27Å; L753-C787 HydrophobicContact CB-CB 4.39Å; L753-A789 PolarHBondContact N-O 2.98Å; L753-V790 HydrophobicContact CB-CG1 4.21Å; L753-V790 HydrophobicContact CB-CG2 4.13Å; L753-V790 HydrophobicContact CD2-CG1 4.21Å; L753-V790 HydrophobicContact CG-CG1 4.49Å; L753-V790 CarbonylContact O-C 3.54Å; L753-V790 WeakPolarHBondContact O-CA 3.29Å; L753-L791 PolarHBondContact O-N 3.42Å
754I92.8Very high73.9Confident5 Ų547.9 Ų47.93%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-116.9126.6170.7-56.8-179.7000109.1M692 A696 F705 I711 L712 L714 L791M692-I754 HydrophobicContact CE-CD1 4.08Å; M692-I754 HydrophobicContact CE-CG2 3.97Å; M692-I754 HydrophobicContact CG-CG2 3.86Å; M692-I754 HydrophobicContact SD-CG2 3.9Å; A696-I754 HydrophobicContact CB-CD1 4.34Å; F705-I754 HydrophobicContact CE2-CD1 4.16Å; F705-I754 HydrophobicContact CE2-CG1 4.18Å; F705-I754 HydrophobicContact CZ-CG1 4.19Å; I711-I754 HydrophobicContact CG2-CD1 3.5Å; I711-I754 HydrophobicContact CG2-CG1 3.74Å; L712-I754 PolarHBondContact O-N 3.01Å; L714-I754 PolarHBondContact N-O 3.15Å; I754-L791 WeakPolarHBondContact CA-O 3.24Å; I754-L791 HydrophobicContact CD1-CD2 4.34Å; I754-L791 HydrophobicContact CG1-CB 4.3Å; I754-L791 HydrophobicContact CG1-CD2 4.26Å; I754-L791 HydrophobicContact CG2-CD2 4.42Å
755I91.5Very high75.7Confident1 Ų147 Ų471%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-133.9141.4178.4-172165.6000111.4L714 L760 F780 L791 C792 C793L714-I755 HydrophobicContact CB-CB 4.21Å; L714-I755 HydrophobicContact CB-CD1 4.32Å; L714-I755 HydrophobicContact CB-CG1 4.06Å; L714-I755 HydrophobicContact CD1-CD1 4.26Å; L714-I755 WeakPolarHBondContact O-CA 3.44Å; I755-L760 HydrophobicContact CD1-CB 3.95Å; I755-L760 HydrophobicContact CD1-CD1 4.02Å; I755-L760 HydrophobicContact CG1-CB 4.2Å; I755-F780 HydrophobicContact CD1-CD2 4.34Å; I755-F780 HydrophobicContact CD1-CE2 3.53Å; I755-F780 HydrophobicContact CD1-CZ 3.95Å; I755-L791 PolarHBondContact N-O 3.47Å; I755-C792 HydrophobicContact CG2-CB 4.1Å; I755-C792 WeakPolarHBondContact CG2-SG 3.32Å; I755-C792 CarbonylContact O-C 3.49Å; I755-C792 WeakPolarHBondContact O-CA 3.38Å; I755-C793 PolarHBondContact O-N 3.4Å
756D87.4Confident77.1Confident25 Ų2549.4 Ų49.413%0.13429%0.291CS..EExtended strand (participates in β ladder)trans-95.2149173.471.2-50.2000112.6L714 T715 K716 A758 T759 L760 C793L714-D756 PolarHBondContact O-N 3.08Å; T715-D756 WeakPolarHBondContact CA-OD1 3.45Å; K716-D756 WeakPolarHBondContact CB-OD2 3.39Å; K716-D756 PolarHBondContact N-OD1 3.2Å; K716-D756 PolarHBondContact N-OD2 2.84Å; D756-A758 PolarHBondContact O-N 3.35Å; D756-A758 VanDerWaalsContact O-N 3.09Å; D756-T759 PolarHBondContact O-N 2.71Å; D756-T759 VanDerWaalsContact O-N 3.09Å; D756-T759 WeakPolarHBondContact OD1-CB 3.2Å; D756-T759 PolarHBondContact OD1-OG1 3.24Å; D756-L760 PolarHBondContact O-N 3.01Å; D756-C793 CarbonylContact C-O 3.08Å; D756-C793 WeakPolarHBondContact CA-O 3.42Å
757G79.6Confident77.7Confident2 Ų246.4 Ų46.42%0.02128%0.276CS..Hα-helixtrans-56.7-28.4-176.600000114.9S761 C793 Q799G757-S761 PolarHBondContact O-N 3.26Å; G757-S761 PolarHBondContact O-OG 2.82Å; G757-C793 PolarHBondContact N-O 3.23Å; G757-Q799 PolarHBondContact O-NE2 3.25Å
758A81.1Confident77.8Confident54 Ų5448.3 Ų48.345%0.44628%0.281SS..Hα-helixtrans-71.2-47.5175.700000112K716 D756 L760 S761 A762K716-A758 HydrophobicContact CD-CB 4.46Å; D756-A758 PolarHBondContact O-N 3.35Å; D756-A758 VanDerWaalsContact O-N 3.09Å; A758-L760 VanDerWaalsContact C-N 3.33Å; A758-S761 PolarHBondContact O-N 3.4Å; A758-A762 PolarHBondContact O-N 3.38Å
759T85Confident77.2Confident5 Ų552 Ų523%0.03129%0.288CS..Hα-helixtrans-65.2-40.1174.8-57.50000110.7L714 K716 T719 L724 D756 S761 A762 V763L714-T759 HydrophobicContact CB-CG2 4.5Å; K716-T759 PolarHBondContact N-OG1 3.49Å; T719-T759 HydrophobicContact CG2-CG2 4.08Å; L724-T759 HydrophobicContact CD1-CG2 3.78Å; D756-T759 PolarHBondContact O-N 2.71Å; D756-T759 VanDerWaalsContact O-N 3.09Å; D756-T759 WeakPolarHBondContact OD1-CB 3.2Å; D756-T759 PolarHBondContact OD1-OG1 3.24Å; T759-S761 VanDerWaalsContact C-N 3.3Å; T759-S761 PolarHBondContact O-N 3.26Å; T759-A762 WeakPolarHBondContact O-CB 3.31Å; T759-A762 PolarHBondContact O-N 2.92Å; T759-V763 HydrophobicContact CG2-CG2 4.47Å; T759-V763 WeakPolarHBondContact O-CG2 3.43Å; T759-V763 PolarHBondContact O-N 3.29Å
760L85.4Confident76.4Confident0 Ų053.1 Ų53.10%030%0.299CS..Hα-helixtrans-58.1-43.6175.6179.164.1000111.8I755 D756 A758 A762 V763 L764 F780 M795 I803I755-L760 HydrophobicContact CD1-CB 3.95Å; I755-L760 HydrophobicContact CD1-CD1 4.02Å; I755-L760 HydrophobicContact CG1-CB 4.2Å; D756-L760 PolarHBondContact O-N 3.01Å; A758-L760 VanDerWaalsContact C-N 3.33Å; L760-A762 VanDerWaalsContact C-N 3.25Å; L760-A762 PolarHBondContact O-N 2.74Å; L760-V763 PolarHBondContact O-N 2.78Å; L760-V763 VanDerWaalsContact O-N 3.13Å; L760-L764 HydrophobicContact CD1-CD1 3.8Å; L760-L764 HydrophobicContact CD1-CD2 4.3Å; L760-L764 HydrophobicContact CD1-CG 3.79Å; L760-L764 HydrophobicContact CD2-CD1 4.14Å; L760-L764 HydrophobicContact CG-CD1 3.69Å; L760-L764 HydrophobicContact CG-CG 4.07Å; L760-L764 WeakPolarHBondContact O-CB 3.42Å; L760-L764 VanDerWaalsContact O-CG 3.28Å; L760-L764 WeakPolarHBondContact O-CG 3.14Å; L760-L764 PolarHBondContact O-N 3.12Å; L760-F780 HydrophobicContact CD1-CE1 4.01Å; L760-F780 HydrophobicContact CD1-CZ 3.96Å; L760-M795 HydrophobicContact CD2-CE 3.66Å; L760-M795 HydrophobicContact CD2-SD 3.39Å; L760-M795 WeakPolarHBondContact CD2-SD 3.23Å; L760-I803 HydrophobicContact CD1-CD1 3.49Å; L760-I803 VanDerWaalsContact CD1-CD1 3.49Å; L760-I803 HydrophobicContact CD1-CG1 4.47Å; L760-I803 HydrophobicContact CD2-CD1 3.62Å; L760-I803 HydrophobicContact CD2-CG1 3.67Å; L760-I803 HydrophobicContact CG-CD1 4.15Å
761S83.7Confident74.7Confident37 Ų3756.3 Ų56.326%0.25933%0.326SS..Hα-helixtrans-60.7-36.5176.3-620000112.4G757 A758 T759 K765 Q799G757-S761 PolarHBondContact O-N 3.26Å; G757-S761 PolarHBondContact O-OG 2.82Å; A758-S761 PolarHBondContact O-N 3.4Å; T759-S761 VanDerWaalsContact C-N 3.3Å; T759-S761 PolarHBondContact O-N 3.26Å; S761-K765 VanDerWaalsContact O-CG 3.3Å; S761-K765 WeakPolarHBondContact O-CG 3.18Å; S761-K765 PolarHBondContact O-N 3.36Å; S761-K765 VanDerWaalsContact O-N 3.11Å; S761-Q799 PolarHBondContact OG-NE2 2.97Å
762A82.8Confident72.6Confident48 Ų4858.9 Ų58.940%0.39736%0.356SS..Hα-helixtrans-67.9-38.2175.500000112L724 A758 T759 L760L724-A762 HydrophobicContact CD1-CB 4.29Å; A758-A762 PolarHBondContact O-N 3.38Å; T759-A762 WeakPolarHBondContact O-CB 3.31Å; T759-A762 PolarHBondContact O-N 2.92Å; L760-A762 VanDerWaalsContact C-N 3.25Å; L760-A762 PolarHBondContact O-N 2.74Å
763V84.2Confident70.6Confident2 Ų266 Ų661%0.01239%0.389CS..Hα-helixtrans-70.2-36.1177174.70000112.3L724 L728 T759 L760 F780L724-V763 HydrophobicContact CD1-CG2 4.24Å; L724-V763 HydrophobicContact CD2-CG2 4.33Å; L728-V763 HydrophobicContact CD1-CG2 4.32Å; T759-V763 HydrophobicContact CG2-CG2 4.47Å; T759-V763 WeakPolarHBondContact O-CG2 3.43Å; T759-V763 PolarHBondContact O-N 3.29Å; L760-V763 PolarHBondContact O-N 2.78Å; L760-V763 VanDerWaalsContact O-N 3.13Å; V763-F780 HydrophobicContact CG1-CB 3.56Å; V763-F780 HydrophobicContact CG1-CD1 4.03Å; V763-F780 HydrophobicContact CG1-CD2 4.21Å; V763-F780 HydrophobicContact CG1-CG 3.68Å
764L79.6Confident68.8Low33 Ų3368.1 Ų68.117%0.17341%0.412CS..Hα-helixtrans-84.5-17.9-177.2-67.3-179.4000114L760 Q802 L806L760-L764 HydrophobicContact CD1-CD1 3.8Å; L760-L764 HydrophobicContact CD1-CD2 4.3Å; L760-L764 HydrophobicContact CD1-CG 3.79Å; L760-L764 HydrophobicContact CD2-CD1 4.14Å; L760-L764 HydrophobicContact CG-CD1 3.69Å; L760-L764 HydrophobicContact CG-CG 4.07Å; L760-L764 WeakPolarHBondContact O-CB 3.42Å; L760-L764 VanDerWaalsContact O-CG 3.28Å; L760-L764 WeakPolarHBondContact O-CG 3.14Å; L760-L764 PolarHBondContact O-N 3.12Å; L764-Q802 HydrophobicContact CD1-CB 4.2Å; L764-L806 HydrophobicContact CD2-CD2 3.84Å
765K78.6Confident67.9Low156 Ų15671.5 Ų71.568%0.67843%0.43SS*.SBendtrans-59.9128.5178.1-91.8176.5-177.1-172.90109.6S761 S767S761-K765 VanDerWaalsContact O-CG 3.3Å; S761-K765 WeakPolarHBondContact O-CG 3.18Å; S761-K765 PolarHBondContact O-N 3.36Å; S761-K765 VanDerWaalsContact O-N 3.11Å; K765-S767 PolarHBondContact O-N 3.34Å
766P63.8Low67.5Low118 Ų11874.9 Ų74.977%0.76644%0.443SS*.  trans-63.8113.6173.525.4-30.4000108Q768P766-Q768 VanDerWaalsContact C-N 3.32Å; P766-Q768 PolarHBondContact O-N 3.26Å
767S53.8Low67.3Low82 Ų8278.1 Ų78.157%0.57345%0.453SS*.  trans-68.391.1174.647.80000109.1K765 E769K765-S767 PolarHBondContact O-N 3.34Å; S767-E769 VanDerWaalsContact C-N 3.27Å; S767-E769 PolarHBondContact O-N 2.91Å
768Q44.1Very low67.5Low182 Ų18282.5 Ų82.585%0.8547%0.473SS*.  trans-7390153.4-75.4-178.6-13.600106.1P766P766-Q768 VanDerWaalsContact C-N 3.32Å; P766-Q768 PolarHBondContact O-N 3.26Å
769E42.1Very low67.7Low176 Ų17681.1 Ų81.182%0.82246%0.458SS*.SBendtrans160.5137.4148.4-88.2170-16900111.3S767S767-E769 VanDerWaalsContact C-N 3.27Å; S767-E769 PolarHBondContact O-N 2.91Å
770V40.9Very low67.8Low114 Ų11481 Ų8169%0.69146%0.457SS*.  trans77.590.5169.4-156.80000117.5G772V770-G772 PolarHBondContact O-N 3.28Å
771S41.9Very low67.9Low127 Ų12781.8 Ų81.889%0.88846%0.461SS*.THydrogen-bonded Turntrans-28.199.8146.1-40.70000113.2
772G44.8Very low68Low69 Ų6983.6 Ų83.671%0.71147%0.466SS*.THydrogen-bonded Turntrans148.3-24.3162.600000117.6V770V770-G772 PolarHBondContact O-N 3.28Å
773H46.5Very low68.2Low149 Ų14981.3 Ų81.369%0.6945%0.447SS*.SBendtrans-115.7134.9-174.3-67.6-75.3000112.3
774G55.2Low68.4Low46 Ų4681.2 Ų81.247%0.47445%0.446SS..  trans-52.9142.4-166.700000114.8Y776G774-Y776 PolarHBondContact O-N 3.41Å; G774-Y776 VanDerWaalsContact O-N 3.09Å
775N74.4Confident68.6Low76 Ų7683.5 Ų83.541%0.40645%0.453SS..  trans-56111.3178.9-168.6-5.1000110.4R777 E778 I779N775-R777 PolarHBondContact O-N 2.58Å; N775-R777 VanDerWaalsContact O-N 3.1Å; N775-R777 WeakPolarHBondContact OD1-CB 3.39Å; N775-E778 HydrophobicContact CB-CB 4.13Å; N775-E778 WeakPolarHBondContact O-CA 3.3Å; N775-E778 WeakPolarHBondContact O-CB 3.43Å; N775-E778 PolarHBondContact O-N 2.93Å; N775-I779 PolarHBondContact O-N 3.19Å
776Y82Confident68.9Low71 Ų7178.2 Ų78.228%0.27843%0.432SS..Hα-helixtrans-53.7-34.2-178.6-66.2-20.6000112.9L724 H725 L728 G774 E778 I779 F780L724-Y776 HydrophobicContact CD2-CD2 3.92Å; L724-Y776 HydrophobicContact CD2-CE2 4.09Å; H725-Y776 AromaticContact CE1-CE1 3.96Å; H725-Y776 AromaticContact ND1-CE1 3.21Å; H725-Y776 WeakPolarHBondContact ND1-CE1 3.33Å; H725-Y776 AromaticContact ND1-CZ 3.53Å; H725-Y776 PolarHBondContact ND1-OH 3Å; L728-Y776 HydrophobicContact CD1-CD1 4.47Å; L728-Y776 HydrophobicContact CD1-CG 4.36Å; G774-Y776 PolarHBondContact O-N 3.41Å; G774-Y776 VanDerWaalsContact O-N 3.09Å; Y776-E778 VanDerWaalsContact C-N 3.28Å; Y776-E778 PolarHBondContact O-N 3.33Å; Y776-I779 PolarHBondContact O-N 3.26Å; Y776-F780 VanDerWaalsContact O-CB 3.27Å; Y776-F780 WeakPolarHBondContact O-CB 3.04Å; Y776-F780 PolarHBondContact O-N 3.35Å
777R83.1Confident69.9Low94 Ų9472.6 Ų72.636%0.35540%0.395SS..Hα-helixtrans-57.3-40.1173-179-176.6140.8116.33.6112.6N775 L781 L806 S809N775-R777 PolarHBondContact O-N 2.58Å; N775-R777 VanDerWaalsContact O-N 3.1Å; N775-R777 WeakPolarHBondContact OD1-CB 3.39Å; R777-L781 WeakPolarHBondContact O-CB 3.3Å; R777-L781 VanDerWaalsContact O-CG 3.31Å; R777-L781 WeakPolarHBondContact O-CG 3.26Å; R777-L781 PolarHBondContact O-N 3Å; R777-L806 HydrophobicContact CG-CD1 3.51Å; R777-S809 PolarHBondContact NH2-OG 2.99Å
778E83.8Confident71.3Confident93 Ų9369.7 Ų69.744%0.43538%0.375SS..Hα-helixtrans-79.4-37.1-175.9-156.1158.3-170.600111.7N775 Y776 L781 E782 K811N775-E778 HydrophobicContact CB-CB 4.13Å; N775-E778 WeakPolarHBondContact O-CA 3.3Å; N775-E778 WeakPolarHBondContact O-CB 3.43Å; N775-E778 PolarHBondContact O-N 2.93Å; Y776-E778 VanDerWaalsContact C-N 3.28Å; Y776-E778 PolarHBondContact O-N 3.33Å; E778-L781 WeakPolarHBondContact O-CB 3.35Å; E778-L781 PolarHBondContact O-N 3.31Å; E778-E782 PolarHBondContact O-N 3.43Å; E778-K811 WeakPolarHBondContact OE1-CE 3.4Å; E778-K811 IonicContact OE1-NZ 2.67Å; E778-K811 PolarHBondContact OE1-NZ 3.48Å
779I85.3Confident73.4Confident26 Ų2661 Ų6113%0.13334%0.335CS..Hα-helixtrans-63.7-46.3171.9-60.8171.7000110.4L728 N732 N775 Y776 L781 E782 I783L728-I779 HydrophobicContact CB-CG2 4.43Å; N732-I779 HydrophobicContact CB-CG2 4.01Å; N775-I779 PolarHBondContact O-N 3.19Å; Y776-I779 PolarHBondContact O-N 3.26Å; I779-L781 VanDerWaalsContact C-N 3.34Å; I779-L781 PolarHBondContact O-N 3.43Å; I779-E782 WeakPolarHBondContact O-CB 3.38Å; I779-E782 PolarHBondContact O-N 2.86Å; I779-E782 VanDerWaalsContact O-N 3.15Å; I779-I783 HydrophobicContact CG2-CD1 4.2Å; I779-I783 WeakPolarHBondContact O-CG1 3.46Å; I779-I783 PolarHBondContact O-N 3.44Å
780F88.1Confident75.8Confident1 Ų152.7 Ų52.70%0.00430%0.295CS..Hα-helixtrans-59.8-44.6176173.7-108.3000111.9L714 L753 I755 L760 V763 Y776 E782 I783 C784 I803 L806L714-F780 HydrophobicContact CD1-CD2 4.21Å; L714-F780 HydrophobicContact CD1-CE2 4.29Å; L753-F780 HydrophobicContact CD2-CE2 3.93Å; I755-F780 HydrophobicContact CD1-CD2 4.34Å; I755-F780 HydrophobicContact CD1-CE2 3.53Å; I755-F780 HydrophobicContact CD1-CZ 3.95Å; L760-F780 HydrophobicContact CD1-CE1 4.01Å; L760-F780 HydrophobicContact CD1-CZ 3.96Å; V763-F780 HydrophobicContact CG1-CB 3.56Å; V763-F780 HydrophobicContact CG1-CD1 4.03Å; V763-F780 HydrophobicContact CG1-CD2 4.21Å; V763-F780 HydrophobicContact CG1-CG 3.68Å; Y776-F780 VanDerWaalsContact O-CB 3.27Å; Y776-F780 WeakPolarHBondContact O-CB 3.04Å; Y776-F780 PolarHBondContact O-N 3.35Å; F780-E782 VanDerWaalsContact C-N 3.28Å; F780-E782 PolarHBondContact O-N 2.93Å; F780-I783 PolarHBondContact O-N 3.34Å; F780-C784 WeakPolarHBondContact CE2-SG 3.2Å; F780-C784 WeakPolarHBondContact CZ-SG 3.42Å; F780-C784 WeakPolarHBondContact O-CB 3.5Å; F780-C784 PolarHBondContact O-N 2.85Å; F780-C784 PolarHBondContact O-SG 2.91Å; F780-I803 HydrophobicContact CE1-CD1 4.22Å; F780-L806 HydrophobicContact CD1-CD2 3.93Å; F780-L806 HydrophobicContact CE1-CD2 3.89Å
781L86.9Confident78.4Confident17 Ų1747.2 Ų47.29%0.08926%0.263CS..Hα-helixtrans-57.4-39.9174-88.4174.9000112.7R777 E778 I779 R785 L806 I807R777-L781 WeakPolarHBondContact O-CB 3.3Å; R777-L781 VanDerWaalsContact O-CG 3.31Å; R777-L781 WeakPolarHBondContact O-CG 3.26Å; R777-L781 PolarHBondContact O-N 3Å; E778-L781 WeakPolarHBondContact O-CB 3.35Å; E778-L781 PolarHBondContact O-N 3.31Å; I779-L781 VanDerWaalsContact C-N 3.34Å; I779-L781 PolarHBondContact O-N 3.43Å; L781-R785 WeakPolarHBondContact O-CB 3.18Å; L781-R785 VanDerWaalsContact O-CG 3.24Å; L781-R785 WeakPolarHBondContact O-CG 3.31Å; L781-R785 PolarHBondContact O-N 2.94Å; L781-L806 HydrophobicContact CD1-CD1 3.62Å; L781-L806 HydrophobicContact CD1-CG 4.2Å; L781-L806 HydrophobicContact CD2-CD1 4.01Å; L781-L806 HydrophobicContact CD2-CD2 3.97Å; L781-L806 HydrophobicContact CD2-CG 3.61Å; L781-L806 HydrophobicContact CG-CD1 3.79Å; L781-L806 HydrophobicContact CG-CD2 4.12Å; L781-L806 HydrophobicContact CG-CG 3.91Å; L781-I807 HydrophobicContact CD2-CD1 3.53Å
782E86.1Confident80.8Confident76 Ų7641.2 Ų41.236%0.35522%0.22SC..Hα-helixtrans-66.4-43.9178.2-172.6167.5-149.300112N732 E778 I779 F780 R785 N786N732-E782 PolarHBondContact ND2-OE2 3.5Å; E778-E782 PolarHBondContact O-N 3.43Å; I779-E782 WeakPolarHBondContact O-CB 3.38Å; I779-E782 PolarHBondContact O-N 2.86Å; I779-E782 VanDerWaalsContact O-N 3.15Å; F780-E782 VanDerWaalsContact C-N 3.28Å; F780-E782 PolarHBondContact O-N 2.93Å; E782-R785 PolarHBondContact O-N 3.3Å; E782-N786 PolarHBondContact O-N 3.08Å; E782-N786 PolarHBondContact O-ND2 2.54Å; E782-N786 VanDerWaalsContact O-ND2 3.08Å
783I87.6Confident82.8Confident0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-58.9-53.3174-64.1165.6000109.8L728 L731 N732 L753 I779 F780 R785 N786 C787L728-I783 HydrophobicContact CD2-CD1 4.03Å; L731-I783 HydrophobicContact CB-CD1 4.02Å; N732-I783 HydrophobicContact CB-CD1 4.2Å; N732-I783 HydrophobicContact CB-CG1 4.09Å; L753-I783 HydrophobicContact CD1-CG2 4.24Å; L753-I783 HydrophobicContact CD2-CG2 4.28Å; I779-I783 HydrophobicContact CG2-CD1 4.2Å; I779-I783 WeakPolarHBondContact O-CG1 3.46Å; I779-I783 PolarHBondContact O-N 3.44Å; F780-I783 PolarHBondContact O-N 3.34Å; I783-R785 VanDerWaalsContact C-N 3.26Å; I783-R785 PolarHBondContact O-N 3.12Å; I783-N786 PolarHBondContact O-N 2.76Å; I783-C787 PolarHBondContact O-N 2.62Å; I783-C787 VanDerWaalsContact O-N 3.08Å; I783-C787 PolarHBondContact O-SG 3.43Å; I783-C787 VanDerWaalsContact O-SG 3.39Å
784C87.6Confident84.4Confident0 Ų036.9 Ų36.90%018%0.177CC..Hα-helixtrans-61.9-31.6-178-66.80000113.6W685 L753 F780 N786W685-C784 HydrophobicContact CH2-CB 3.45Å; W685-C784 VanDerWaalsContact CH2-CB 3.45Å; W685-C784 HydrophobicContact CZ2-CB 3.77Å; W685-C784 HydrophobicContact CZ3-CB 4.46Å; L753-C784 WeakPolarHBondContact CD2-SG 3.27Å; F780-C784 WeakPolarHBondContact CE2-SG 3.2Å; F780-C784 WeakPolarHBondContact CZ-SG 3.42Å; F780-C784 WeakPolarHBondContact O-CB 3.5Å; F780-C784 PolarHBondContact O-N 2.85Å; F780-C784 PolarHBondContact O-SG 2.91Å; C784-N786 VanDerWaalsContact C-N 3.27Å; C784-N786 PolarHBondContact O-N 2.87Å
785R83.6Confident85.4Confident81 Ų8135.1 Ų35.131%0.30616%0.156SC..Hα-helixtrans-68.2-29.3175.4-80.2170.470.7-148.6-5.3112.3K683 L781 E782 I783 E812K683-R785 PolarHBondContact NZ-O 3.33Å; L781-R785 WeakPolarHBondContact O-CB 3.18Å; L781-R785 VanDerWaalsContact O-CG 3.24Å; L781-R785 WeakPolarHBondContact O-CG 3.31Å; L781-R785 PolarHBondContact O-N 2.94Å; E782-R785 PolarHBondContact O-N 3.3Å; I783-R785 VanDerWaalsContact C-N 3.26Å; I783-R785 PolarHBondContact O-N 3.12Å; R785-E812 IonicContact CZ-OE1 2.73Å; R785-E812 IonicContact CZ-OE2 3.83Å; R785-E812 IonicContact NE-OE1 2.85Å; R785-E812 IonicContact NE-OE2 3.24Å; R785-E812 PolarHBondContact NE-OE2 2.86Å; R785-E812 IonicContact NH2-OE1 3.12Å; R785-E812 PolarHBondContact NH2-OE1 3.21Å; R785-E812 IonicContact NH2-OE2 3.63Å; R785-E812 PolarHBondContact NH2-OE2 3.18Å; R785-E812 VanDerWaalsContact NH2-OE2 3.14Å
786N84.3Confident85.4Confident44 Ų4433.6 Ų33.624%0.23515%0.154CC..Hα-helixtrans-91-18.3-178.9-67.7-38000112.9V735 R739 E782 I783 C784V735-N786 HydrophobicContact CG1-CB 3.23Å; V735-N786 WeakPolarHBondContact CG1-ND2 3.49Å; R739-N786 PolarHBondContact NH1-OD1 2.88Å; R739-N786 VanDerWaalsContact NH1-OD1 3.12Å; E782-N786 PolarHBondContact O-N 3.08Å; E782-N786 PolarHBondContact O-ND2 2.54Å; E782-N786 VanDerWaalsContact O-ND2 3.08Å; I783-N786 PolarHBondContact O-N 2.76Å; C784-N786 VanDerWaalsContact C-N 3.27Å; C784-N786 PolarHBondContact O-N 2.87Å
787C86.4Confident84.9Confident1 Ų132.7 Ų32.71%0.00716%0.157CC..  trans-74.2143169.9-61.70000111.5F751 L753 I783 V790F751-C787 CarbonylContact O-C 3.01Å; F751-C787 WeakPolarHBondContact O-CA 3.39Å; F751-C787 WeakPolarHBondContact O-CB 3.44Å; L753-C787 HydrophobicContact CB-CB 4.39Å; I783-C787 PolarHBondContact O-N 2.62Å; I783-C787 VanDerWaalsContact O-N 3.08Å; I783-C787 PolarHBondContact O-SG 3.43Å; I783-C787 VanDerWaalsContact O-SG 3.39Å; C787-V790 HydrophobicContact CB-CG2 4.18Å
788S83.1Confident84.5Confident21 Ų2134.4 Ų34.415%0.14717%0.172CC..SBendtrans-78.6-37177.258.30000111.7H678 F751H678-S788 PolarHBondContact CE1-O 3.31Å; F751-S788 PolarHBondContact O-N 2.88Å; F751-S788 PolarHBondContact O-OG 3.18Å
789A87.9Confident84.3Confident0 Ų031.4 Ų31.40%016%0.158CC..EExtended strand (participates in β ladder)trans-134.2145.3176.800000111.1L704 F705 G752 L753L704-A789 HydrophobicContact CD1-CB 3.85Å; L704-A789 HydrophobicContact CD2-CB 4.18Å; L704-A789 HydrophobicContact CG-CB 3.71Å; F705-A789 HydrophobicContact CD1-CB 4.06Å; F705-A789 HydrophobicContact CE1-CB 3.72Å; G752-A789 WeakPolarHBondContact CA-O 3.02Å; L753-A789 PolarHBondContact N-O 2.98Å
790V93.2Very high84.4Confident0 Ų030.5 Ų30.50%015%0.154CC..EExtended strand (participates in β ladder)trans-131.7132177.5-178.70000109W685 V686 L753 C787W685-V790 CarbonylContact C-O 3.3Å; W685-V790 VanDerWaalsContact CA-O 3.27Å; W685-V790 WeakPolarHBondContact CA-O 3.48Å; W685-V790 HydrophobicContact CD2-CB 3.61Å; W685-V790 HydrophobicContact CD2-CG1 4.3Å; W685-V790 HydrophobicContact CD2-CG2 3.85Å; W685-V790 VanDerWaalsContact CE2-CG2 3.47Å; W685-V790 HydrophobicContact CE3-CB 3.93Å; W685-V790 HydrophobicContact CE3-CG1 4.11Å; W685-V790 HydrophobicContact CE3-CG2 4.31Å; W685-V790 HydrophobicContact CG-CB 3.84Å; W685-V790 HydrophobicContact CG-CG2 4.33Å; W685-V790 HydrophobicContact CH2-CG2 4.24Å; W685-V790 HydrophobicContact CZ2-CB 4.37Å; W685-V790 HydrophobicContact CZ2-CG2 3.7Å; W685-V790 HydrophobicContact CZ3-CB 4.49Å; W685-V790 HydrophobicContact CZ3-CG1 4.43Å; V686-V790 PolarHBondContact N-O 2.89Å; L753-V790 HydrophobicContact CB-CG1 4.21Å; L753-V790 HydrophobicContact CB-CG2 4.13Å; L753-V790 HydrophobicContact CD2-CG1 4.21Å; L753-V790 HydrophobicContact CG-CG1 4.49Å; L753-V790 CarbonylContact O-C 3.54Å; L753-V790 WeakPolarHBondContact O-CA 3.29Å; C787-V790 HydrophobicContact CB-CG2 4.18Å
791L94.1Very high84.3Confident0 Ų031.1 Ų31.10%016%0.159CC..EExtended strand (participates in β ladder)trans-116120.2175.8170.362000109.1V686 T688 A695 A696 F705 L753 I754 I755 C793V686-L791 HydrophobicContact CB-CD1 3.8Å; V686-L791 HydrophobicContact CG1-CD1 3.78Å; V686-L791 WeakPolarHBondContact O-CA 3.31Å; T688-L791 HydrophobicContact CG2-CD1 4.14Å; A695-L791 HydrophobicContact CB-CD1 3.84Å; A695-L791 HydrophobicContact CB-CD2 3.94Å; A695-L791 HydrophobicContact CB-CG 4.42Å; A696-L791 HydrophobicContact CB-CD2 4.24Å; F705-L791 HydrophobicContact CE2-CB 4.18Å; F705-L791 HydrophobicContact CE2-CD2 4.12Å; F705-L791 HydrophobicContact CZ-CB 3.88Å; L753-L791 PolarHBondContact O-N 3.42Å; I754-L791 WeakPolarHBondContact CA-O 3.24Å; I754-L791 HydrophobicContact CD1-CD2 4.34Å; I754-L791 HydrophobicContact CG1-CB 4.3Å; I754-L791 HydrophobicContact CG1-CD2 4.26Å; I754-L791 HydrophobicContact CG2-CD2 4.42Å; I755-L791 PolarHBondContact N-O 3.47Å; L791-C793 VanDerWaalsContact CG-SG 3.53Å
792C91.9Very high84.3Confident0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-108.3119.9173.7-59.80000109.1V686 L687 T688 I755 M795V686-C792 PolarHBondContact O-N 3.46Å; L687-C792 HydrophobicContact CD2-CB 3.58Å; L687-C792 WeakPolarHBondContact CD2-SG 3.44Å; T688-C792 PolarHBondContact N-O 2.87Å; I755-C792 HydrophobicContact CG2-CB 4.1Å; I755-C792 WeakPolarHBondContact CG2-SG 3.32Å; I755-C792 CarbonylContact O-C 3.49Å; I755-C792 WeakPolarHBondContact O-CA 3.38Å; C792-M795 HydrophobicContact CB-CE 4.22Å; C792-M795 HydrophobicContact CB-CG 3.68Å; C792-M795 HydrophobicContact CB-SD 3.78Å
793C87Confident84.5Confident2 Ų231.3 Ų31.31%0.01416%0.159CC..EExtended strand (participates in β ladder)trans-109155.8-175.4-52.90000111.5T688 M692 I755 D756 G757 L791 M795T688-C793 CarbonylContact O-C 3.53Å; M692-C793 HydrophobicContact CB-CB 4.34Å; I755-C793 PolarHBondContact O-N 3.4Å; D756-C793 CarbonylContact C-O 3.08Å; D756-C793 WeakPolarHBondContact CA-O 3.42Å; G757-C793 PolarHBondContact N-O 3.23Å; L791-C793 VanDerWaalsContact CG-SG 3.53Å; C793-M795 PolarHBondContact O-N 3.42Å
794R80.4Confident84.8Confident125 Ų12531.3 Ų31.347%0.47216%0.159SC..SBendtrans51.641.6-179.5-57.2-171.1-179.7178.46.7113.5T688 G689 D690T688-R794 PolarHBondContact O-N 3Å; G689-R794 WeakPolarHBondContact O-CA 3.49Å; D690-R794 WeakPolarHBondContact O-CG 3.42Å; D690-R794 PolarHBondContact O-N 3.37Å; D690-R794 VanDerWaalsContact O-N 3.08Å
795M76.8Confident84.9Confident10 Ų1037 Ų375%0.04918%0.184CC..  trans-82.7131.7-179.4-68.8-78.6-73.900111.3T688 L760 C792 C793 Q799 K800 I803T688-M795 WeakPolarHBondContact O-CB 3.2Å; T688-M795 PolarHBondContact O-N 3.09Å; L760-M795 HydrophobicContact CD2-CE 3.66Å; L760-M795 HydrophobicContact CD2-SD 3.39Å; L760-M795 WeakPolarHBondContact CD2-SD 3.23Å; C792-M795 HydrophobicContact CB-CE 4.22Å; C792-M795 HydrophobicContact CB-CG 3.68Å; C792-M795 HydrophobicContact CB-SD 3.78Å; C793-M795 PolarHBondContact O-N 3.42Å; M795-Q799 VanDerWaalsContact CE-C 3.44Å; M795-Q799 HydrophobicContact CE-CB 3.76Å; M795-Q799 WeakPolarHBondContact CE-O 3.24Å; M795-Q799 HydrophobicContact SD-CB 4.12Å; M795-K800 HydrophobicContact CB-CG 4.09Å; M795-K800 HydrophobicContact CE-CG 4.25Å; M795-I803 HydrophobicContact CE-CG1 3.78Å
796A73.6Confident85.2Confident43 Ų4333.3 Ų33.336%0.35517%0.17SC..  trans-75.5153.4164.400000110.7L798 Q799 K800A796-L798 VanDerWaalsContact C-N 3.34Å; A796-L798 PolarHBondContact O-N 2.82Å; A796-Q799 HydrophobicContact CB-CG 4.15Å; A796-Q799 WeakPolarHBondContact O-CA 3.42Å; A796-Q799 WeakPolarHBondContact O-CB 3.37Å; A796-Q799 PolarHBondContact O-N 3.36Å; A796-K800 PolarHBondContact O-N 3.22Å
797P71.4Confident85.6Confident52 Ų5231.3 Ų31.334%0.33816%0.16SC..Hα-helixtrans-50.8-48.5-179.5-30.936.8000113.7Q799 K800 A801 N824 S827P797-Q799 VanDerWaalsContact C-N 3.27Å; P797-Q799 PolarHBondContact O-N 2.67Å; P797-K800 WeakPolarHBondContact O-CB 3.4Å; P797-K800 PolarHBondContact O-N 3.45Å; P797-A801 PolarHBondContact O-N 3.39Å; P797-N824 WeakPolarHBondContact CB-O 3.46Å; P797-N824 HydrophobicContact CG-CB 4.19Å; P797-S827 PolarHBondContact O-OG 3.07Å; P797-S827 VanDerWaalsContact O-OG 3.04Å
798L74.5Confident85.8Confident130 Ų13034.1 Ų34.168%0.68117%0.172SC*.Hα-helixtrans-62.4-31.7178.5-71.5171.4000113.3A796 K800 A801 Q802A796-L798 VanDerWaalsContact C-N 3.34Å; A796-L798 PolarHBondContact O-N 2.82Å; L798-K800 VanDerWaalsContact C-N 3.34Å; L798-A801 PolarHBondContact O-N 3.18Å; L798-Q802 VanDerWaalsContact O-CG 3.32Å; L798-Q802 WeakPolarHBondContact O-CG 3.26Å; L798-Q802 PolarHBondContact O-N 2.91Å; L798-Q802 VanDerWaalsContact O-N 3.08Å
799Q80.5Confident85.9Confident30 Ų3035.9 Ų35.914%0.1418%0.184CC..Hα-helixtrans-69.5-34176.6-66.2171.5-27.600111.2G757 S761 M795 A796 P797 Q802 I803G757-Q799 PolarHBondContact O-NE2 3.25Å; S761-Q799 PolarHBondContact OG-NE2 2.97Å; M795-Q799 VanDerWaalsContact CE-C 3.44Å; M795-Q799 HydrophobicContact CE-CB 3.76Å; M795-Q799 WeakPolarHBondContact CE-O 3.24Å; M795-Q799 HydrophobicContact SD-CB 4.12Å; A796-Q799 HydrophobicContact CB-CG 4.15Å; A796-Q799 WeakPolarHBondContact O-CA 3.42Å; A796-Q799 WeakPolarHBondContact O-CB 3.37Å; A796-Q799 PolarHBondContact O-N 3.36Å; P797-Q799 VanDerWaalsContact C-N 3.27Å; P797-Q799 PolarHBondContact O-N 2.67Å; Q799-Q802 PolarHBondContact O-N 3.29Å; Q799-I803 PolarHBondContact O-N 2.84Å
800K86.8Confident85.9Confident8 Ų836.4 Ų36.44%0.03519%0.188CC..Hα-helixtrans-59.1-49174.6-58-169.1-174.3-171.70110.2D414 L687 M795 A796 P797 L798 Q802 I803 V804 D825 M828D414-K800 IonicContact OD1-NZ 3.67Å; D414-K800 PolarHBondContact OD1-NZ 3.19Å; L687-K800 HydrophobicContact CB-CD 4.3Å; L687-K800 HydrophobicContact CB-CG 4.24Å; L687-K800 HydrophobicContact CD1-CB 4.27Å; L687-K800 WeakPolarHBondContact O-CE 3.32Å; L687-K800 PolarHBondContact O-NZ 3.05Å; L687-K800 VanDerWaalsContact O-NZ 3.15Å; M795-K800 HydrophobicContact CB-CG 4.09Å; M795-K800 HydrophobicContact CE-CG 4.25Å; A796-K800 PolarHBondContact O-N 3.22Å; P797-K800 WeakPolarHBondContact O-CB 3.4Å; P797-K800 PolarHBondContact O-N 3.45Å; L798-K800 VanDerWaalsContact C-N 3.34Å; K800-Q802 VanDerWaalsContact C-N 3.33Å; K800-Q802 PolarHBondContact O-N 3.27Å; K800-I803 PolarHBondContact O-N 3.47Å; K800-V804 PolarHBondContact O-N 2.87Å; K800-D825 IonicContact NZ-OD1 2.74Å; K800-D825 PolarHBondContact NZ-OD1 3.48Å; K800-M828 HydrophobicContact CB-CB 4.09Å; K800-M828 HydrophobicContact CB-CG 4.32Å; K800-M828 HydrophobicContact CB-SD 4.3Å
801A85.9Confident85.3Confident14 Ų1444.2 Ų44.212%0.11622%0.222CC..Hα-helixtrans-61.1-39176.100000112.9P797 L798 I803 V804 K805 E831P797-A801 PolarHBondContact O-N 3.39Å; L798-A801 PolarHBondContact O-N 3.18Å; A801-I803 PolarHBondContact O-N 3.13Å; A801-V804 PolarHBondContact O-N 2.84Å; A801-K805 WeakPolarHBondContact O-CB 3.37Å; A801-K805 PolarHBondContact O-N 3.4Å; A801-E831 HydrophobicContact CB-CB 4.34Å
802Q87.9Confident84.5Confident97 Ų9748.6 Ų48.645%0.45324%0.242SC..Hα-helixtrans-62.6-38.9177-73.5173-6.300113L764 L798 Q799 K800 K805 L806L764-Q802 HydrophobicContact CD1-CB 4.2Å; L798-Q802 VanDerWaalsContact O-CG 3.32Å; L798-Q802 WeakPolarHBondContact O-CG 3.26Å; L798-Q802 PolarHBondContact O-N 2.91Å; L798-Q802 VanDerWaalsContact O-N 3.08Å; Q799-Q802 PolarHBondContact O-N 3.29Å; K800-Q802 VanDerWaalsContact C-N 3.33Å; K800-Q802 PolarHBondContact O-N 3.27Å; Q802-K805 PolarHBondContact O-N 2.91Å; Q802-L806 VanDerWaalsContact O-CB 3.25Å; Q802-L806 WeakPolarHBondContact O-CB 3.25Å; Q802-L806 PolarHBondContact O-N 2.78Å
803I90.8Very high84.2Confident0 Ų054.3 Ų54.30%027%0.268CS..Hα-helixtrans-63.3-46.6174-73.5-63.7000111.3F412 W685 L687 L760 F780 M795 Q799 K800 A801 K805 L806 I807F412-I803 HydrophobicContact CD1-CG2 4.41Å; F412-I803 HydrophobicContact CE1-CG2 3.94Å; W685-I803 HydrophobicContact CE3-CG2 4.15Å; W685-I803 HydrophobicContact CZ3-CG2 4.03Å; L687-I803 HydrophobicContact CD1-CB 4.3Å; L687-I803 HydrophobicContact CD1-CG2 4.03Å; L687-I803 HydrophobicContact CD2-CG2 4.12Å; L760-I803 HydrophobicContact CD1-CD1 3.49Å; L760-I803 VanDerWaalsContact CD1-CD1 3.49Å; L760-I803 HydrophobicContact CD1-CG1 4.47Å; L760-I803 HydrophobicContact CD2-CD1 3.62Å; L760-I803 HydrophobicContact CD2-CG1 3.67Å; L760-I803 HydrophobicContact CG-CD1 4.15Å; F780-I803 HydrophobicContact CE1-CD1 4.22Å; M795-I803 HydrophobicContact CE-CG1 3.78Å; Q799-I803 PolarHBondContact O-N 2.84Å; K800-I803 PolarHBondContact O-N 3.47Å; A801-I803 PolarHBondContact O-N 3.13Å; I803-K805 VanDerWaalsContact C-N 3.32Å; I803-K805 PolarHBondContact O-N 3.12Å; I803-L806 HydrophobicContact CD1-CD2 4.47Å; I803-L806 WeakPolarHBondContact O-CB 3.48Å; I803-L806 PolarHBondContact O-N 2.88Å; I803-I807 PolarHBondContact O-N 3.16Å; I803-I807 VanDerWaalsContact O-N 3.08Å
804V92.1Very high84.4Confident0 Ų054.2 Ų54.20%027%0.268CS..Hα-helixtrans-59.1-47.8177.6177.60000110.3F412 K800 A801 L806 I807 K808 M828 E831 A832F412-V804 HydrophobicContact CB-CG2 4.36Å; F412-V804 HydrophobicContact CD1-CG2 4.44Å; F412-V804 HydrophobicContact CD2-CB 4.37Å; F412-V804 HydrophobicContact CD2-CG1 4.25Å; F412-V804 HydrophobicContact CD2-CG2 3.6Å; F412-V804 HydrophobicContact CE2-CB 4.24Å; F412-V804 HydrophobicContact CE2-CG1 4.09Å; F412-V804 HydrophobicContact CE2-CG2 3.91Å; F412-V804 HydrophobicContact CG-CG2 3.88Å; F412-V804 HydrophobicContact CZ-CG2 4.48Å; K800-V804 PolarHBondContact O-N 2.87Å; A801-V804 PolarHBondContact O-N 2.84Å; V804-L806 VanDerWaalsContact C-N 3.31Å; V804-L806 PolarHBondContact O-N 2.78Å; V804-I807 PolarHBondContact O-N 3.43Å; V804-K808 WeakPolarHBondContact O-CB 3.38Å; V804-K808 PolarHBondContact O-N 2.9Å; V804-M828 HydrophobicContact CG2-CG 3.48Å; V804-M828 VanDerWaalsContact CG2-CG 3.48Å; V804-M828 HydrophobicContact CG2-SD 4.42Å; V804-E831 HydrophobicContact CB-CG 4.32Å; V804-E831 HydrophobicContact CG1-CB 4.41Å; V804-E831 HydrophobicContact CG1-CG 4.2Å; V804-A832 HydrophobicContact CG1-CB 3.92Å
805K90.4Very high85.1Confident119 Ų11949.1 Ų49.152%0.51725%0.25SS..Hα-helixtrans-61-39.1177.3-171.3170.1-177.11710112.4A801 Q802 I803 S809 E831A801-K805 WeakPolarHBondContact O-CB 3.37Å; A801-K805 PolarHBondContact O-N 3.4Å; Q802-K805 PolarHBondContact O-N 2.91Å; I803-K805 VanDerWaalsContact C-N 3.32Å; I803-K805 PolarHBondContact O-N 3.12Å; K805-S809 VanDerWaalsContact O-CB 3.25Å; K805-S809 WeakPolarHBondContact O-CB 3.35Å; K805-S809 PolarHBondContact O-N 3.33Å; K805-S809 PolarHBondContact O-OG 2.89Å; K805-E831 HydrophobicContact CB-CG 3.88Å
806L90.3Very high86Confident3 Ų348.7 Ų48.72%0.01625%0.248CC..Hα-helixtrans-59.8-47.4177.3174.567.5000111.2L764 R777 F780 L781 Q802 I803 V804 S809 S810L764-L806 HydrophobicContact CD2-CD2 3.84Å; R777-L806 HydrophobicContact CG-CD1 3.51Å; F780-L806 HydrophobicContact CD1-CD2 3.93Å; F780-L806 HydrophobicContact CE1-CD2 3.89Å; L781-L806 HydrophobicContact CD1-CD1 3.62Å; L781-L806 HydrophobicContact CD1-CG 4.2Å; L781-L806 HydrophobicContact CD2-CD1 4.01Å; L781-L806 HydrophobicContact CD2-CD2 3.97Å; L781-L806 HydrophobicContact CD2-CG 3.61Å; L781-L806 HydrophobicContact CG-CD1 3.79Å; L781-L806 HydrophobicContact CG-CD2 4.12Å; L781-L806 HydrophobicContact CG-CG 3.91Å; Q802-L806 VanDerWaalsContact O-CB 3.25Å; Q802-L806 WeakPolarHBondContact O-CB 3.25Å; Q802-L806 PolarHBondContact O-N 2.78Å; I803-L806 HydrophobicContact CD1-CD2 4.47Å; I803-L806 WeakPolarHBondContact O-CB 3.48Å; I803-L806 PolarHBondContact O-N 2.88Å; V804-L806 VanDerWaalsContact C-N 3.31Å; V804-L806 PolarHBondContact O-N 2.78Å; L806-S809 PolarHBondContact O-OG 3.44Å; L806-S810 PolarHBondContact O-N 3.08Å
807I91.6Very high87.1Confident3 Ų346.6 Ų46.62%0.01523%0.231CC..Hα-helixtrans-73.3-42.6-179.3-62.7-65.5000111.7Y410 F412 W685 L781 I803 V804 S809 S810 P814 T816Y410-I807 HydrophobicContact CD1-CG2 4.2Å; Y410-I807 HydrophobicContact CD2-CG2 4.19Å; Y410-I807 HydrophobicContact CE1-CG2 4.35Å; Y410-I807 HydrophobicContact CE2-CG2 4.36Å; Y410-I807 HydrophobicContact CG-CG2 4.11Å; F412-I807 HydrophobicContact CE1-CG1 4.44Å; F412-I807 HydrophobicContact CZ-CB 3.9Å; F412-I807 HydrophobicContact CZ-CG1 3.97Å; F412-I807 HydrophobicContact CZ-CG2 4.08Å; W685-I807 HydrophobicContact CH2-CD1 3.31Å; W685-I807 HydrophobicContact CH2-CG1 3.73Å; W685-I807 HydrophobicContact CZ2-CD1 4.13Å; W685-I807 HydrophobicContact CZ3-CD1 3.89Å; W685-I807 HydrophobicContact CZ3-CG1 3.82Å; L781-I807 HydrophobicContact CD2-CD1 3.53Å; I803-I807 PolarHBondContact O-N 3.16Å; I803-I807 VanDerWaalsContact O-N 3.08Å; V804-I807 PolarHBondContact O-N 3.43Å; I807-S809 VanDerWaalsContact C-N 3.29Å; I807-S809 PolarHBondContact O-N 3Å; I807-S810 WeakPolarHBondContact O-CB 3.5Å; I807-S810 PolarHBondContact O-N 3.43Å; I807-S810 VanDerWaalsContact O-N 3.08Å; I807-S810 PolarHBondContact O-OG 3.02Å; I807-P814 HydrophobicContact CG2-CG 3.83Å; I807-P814 WeakPolarHBondContact O-CD 3.39Å; I807-T816 HydrophobicContact CG2-CG2 4.08Å
808K90.7Very high88.2Confident59 Ų5944.1 Ų44.126%0.25722%0.215SC..Hα-helixtrans-58.6-38.3174.8169.9167.8-179.4-161.30113.1V804 S810 T816 E831 H833V804-K808 WeakPolarHBondContact O-CB 3.38Å; V804-K808 PolarHBondContact O-N 2.9Å; K808-S810 VanDerWaalsContact C-N 3.3Å; K808-T816 HydrophobicContact CB-CG2 4.28Å; K808-E831 PolarHBondContact NZ-O 3.44Å; K808-E831 IonicContact NZ-OE1 3.08Å; K808-H833 VanDerWaalsContact CG-CE1 3.43Å; K808-H833 WeakPolarHBondContact CG-CE1 3.45Å
809S87.1Confident89.2Confident58 Ų5838 Ų3841%0.40618%0.182SC..THydrogen-bonded Turntrans-85.64.4177.7630000114.4R777 K805 L806 I807R777-S809 PolarHBondContact NH2-OG 2.99Å; K805-S809 VanDerWaalsContact O-CB 3.25Å; K805-S809 WeakPolarHBondContact O-CB 3.35Å; K805-S809 PolarHBondContact O-N 3.33Å; K805-S809 PolarHBondContact O-OG 2.89Å; L806-S809 PolarHBondContact O-OG 3.44Å; I807-S809 VanDerWaalsContact C-N 3.29Å; I807-S809 PolarHBondContact O-N 3Å
810S86.8Confident89.7Confident11 Ų1136.5 Ų36.58%0.07718%0.176CC..SBendtrans-68.7161.8177.773.70000112.2L806 I807 K808 E812 H813 P814L806-S810 PolarHBondContact O-N 3.08Å; I807-S810 WeakPolarHBondContact O-CB 3.5Å; I807-S810 PolarHBondContact O-N 3.43Å; I807-S810 VanDerWaalsContact O-N 3.08Å; I807-S810 PolarHBondContact O-OG 3.02Å; K808-S810 VanDerWaalsContact C-N 3.3Å; S810-E812 PolarHBondContact O-N 3.13Å; S810-E812 VanDerWaalsContact O-N 3.13Å; S810-H813 PolarHBondContact O-N 3.17Å; S810-H813 PolarHBondContact O-ND1 3.01Å; S810-P814 VanDerWaalsContact OG-CD 3.23Å; S810-P814 WeakPolarHBondContact OG-CD 3.2Å
811K80.4Confident89.6Confident164 Ų16436.3 Ų36.371%0.71318%0.175SC*.THydrogen-bonded Turntrans-58.1-27.6-175.4-68179.1-175.3163.50114.1E778 H813E778-K811 WeakPolarHBondContact OE1-CE 3.4Å; E778-K811 IonicContact OE1-NZ 2.67Å; E778-K811 PolarHBondContact OE1-NZ 3.48Å; K811-H813 VanDerWaalsContact C-N 3.33Å
812E77.8Confident89Confident93 Ų9335.9 Ų35.944%0.43517%0.172SC..THydrogen-bonded Turntrans-80.9-15.1178.9-70.6179.8149.500113R785 S810R785-E812 IonicContact CZ-OE1 2.73Å; R785-E812 IonicContact CZ-OE2 3.83Å; R785-E812 IonicContact NE-OE1 2.85Å; R785-E812 IonicContact NE-OE2 3.24Å; R785-E812 PolarHBondContact NE-OE2 2.86Å; R785-E812 IonicContact NH2-OE1 3.12Å; R785-E812 PolarHBondContact NH2-OE1 3.21Å; R785-E812 IonicContact NH2-OE2 3.63Å; R785-E812 PolarHBondContact NH2-OE2 3.18Å; R785-E812 VanDerWaalsContact NH2-OE2 3.14Å; S810-E812 PolarHBondContact O-N 3.13Å; S810-E812 VanDerWaalsContact O-N 3.13Å
813H86.4Confident88Confident119 Ų11932.2 Ų32.255%0.55116%0.158SC*.  trans45.853-172.3-63.1-64.2000113.5S810 K811S810-H813 PolarHBondContact O-N 3.17Å; S810-H813 PolarHBondContact O-ND1 3.01Å; K811-H813 VanDerWaalsContact C-N 3.33Å
814P91.2Very high87.2Confident0 Ų035.8 Ų35.80%018%0.177CC..  trans-66146.9-17930.4-35.5000110.9E409 Y410 I807 S810 H833E409-P814 HydrophobicContact CB-CB 4.22Å; Y410-P814 HydrophobicContact CD2-CB 3.67Å; Y410-P814 HydrophobicContact CD2-CG 4.01Å; Y410-P814 HydrophobicContact CE2-CB 3.71Å; Y410-P814 HydrophobicContact CE2-CG 3.92Å; I807-P814 HydrophobicContact CG2-CG 3.83Å; I807-P814 WeakPolarHBondContact O-CD 3.39Å; S810-P814 VanDerWaalsContact OG-CD 3.23Å; S810-P814 WeakPolarHBondContact OG-CD 3.2Å; P814-H833 PolarHBondContact O-CE1 3.48Å
815I93.9Very high86.7Confident19 Ų1935.9 Ų35.910%0.09718%0.178CC..  trans-77.6128.2174.1-54.2-48.8000108.9A288 E404 Q407 V408 E409 Y410 H833A288-I815 HydrophobicContact CB-CD1 4.3Å; E404-I815 HydrophobicContact CG-CG2 3.86Å; E404-I815 WeakPolarHBondContact OE1-CD1 3.24Å; E404-I815 WeakPolarHBondContact OE1-CG1 3.36Å; E404-I815 WeakPolarHBondContact OE1-CG2 3.32Å; Q407-I815 HydrophobicContact CB-CG1 4.12Å; Q407-I815 VanDerWaalsContact O-CB 3.32Å; Q407-I815 WeakPolarHBondContact O-CB 3.44Å; V408-I815 HydrophobicContact CG2-CG2 4.46Å; E409-I815 PolarHBondContact N-O 3.33Å; Y410-I815 PolarHBondContact N-O 3.43Å; I815-H833 HydrophobicContact CG2-CB 4.08Å
816T95.2Very high86.1Confident0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-116.8129.1-17159.70000110.2F412 I807 K808 H833 V834F412-T816 HydrophobicContact CE2-CG2 3.73Å; F412-T816 HydrophobicContact CZ-CG2 4.4Å; I807-T816 HydrophobicContact CG2-CG2 4.08Å; K808-T816 HydrophobicContact CB-CG2 4.28Å; T816-H833 PolarHBondContact N-ND1 2.7Å; T816-H833 WeakPolarHBondContact O-CB 3.48Å; T816-H833 PolarHBondContact O-N 2.81Å; T816-H833 PolarHBondContact OG1-N 3.24Å; T816-H833 PolarHBondContact OG1-ND1 3.43Å; T816-V834 PolarHBondContact O-N 3.39Å
817L96.6Very high85.7Confident0 Ų032.4 Ų32.40%017%0.168CC..EExtended strand (participates in β ladder)trans-110.8139173.3-174.2151.7000109.6L405 V408 Y410 V411 F412 V819 V834 I836 L860 L864L405-L817 HydrophobicContact CD2-CD1 4.35Å; V408-L817 HydrophobicContact CB-CB 4.45Å; V408-L817 HydrophobicContact CG1-CB 3.52Å; V408-L817 HydrophobicContact CG1-CD1 4.27Å; V408-L817 HydrophobicContact CG2-CB 4Å; V408-L817 HydrophobicContact CG2-CD1 3.79Å; Y410-L817 PolarHBondContact O-N 3.4Å; V411-L817 CarbonylContact C-O 3.5Å; V411-L817 WeakPolarHBondContact CA-O 3.5Å; V411-L817 HydrophobicContact CG1-CD2 4.09Å; V411-L817 HydrophobicContact CG2-CB 4.29Å; V411-L817 HydrophobicContact CG2-CD2 4.23Å; F412-L817 WeakPolarHBondContact CD2-O 3.47Å; F412-L817 PolarHBondContact N-O 3.06Å; L817-V819 HydrophobicContact CD2-CG2 3.3Å; L817-V834 CarbonylContact C-O 3.54Å; L817-V834 VanDerWaalsContact CA-O 3.28Å; L817-V834 WeakPolarHBondContact CA-O 3.45Å; L817-V834 HydrophobicContact CB-CB 4.48Å; L817-V834 HydrophobicContact CD1-CB 4.28Å; L817-V834 HydrophobicContact CD1-CG1 4.11Å; L817-V834 HydrophobicContact CG-CB 4.23Å; L817-V834 HydrophobicContact CG-CG1 4.34Å; L817-I836 HydrophobicContact CD1-CD1 3.73Å; L817-I836 HydrophobicContact CD1-CG1 4.25Å; L817-I836 HydrophobicContact CD2-CD1 4.09Å; L817-I836 HydrophobicContact CD2-CG1 4.26Å; L817-I836 HydrophobicContact CG-CD1 4.26Å; L817-I836 HydrophobicContact CG-CG1 4.34Å; L817-L860 HydrophobicContact CD2-CD1 4.4Å; L817-L864 HydrophobicContact CD1-CD1 4.29Å; L817-L864 HydrophobicContact CD1-CD2 3.67Å
818A95.9Very high85.5Confident0 Ų032.3 Ų32.30%017%0.167CC..EExtended strand (participates in β ladder)trans-120132.1173.700000110.3F412 M828 I829 A832 V834 I836F412-A818 CarbonylContact O-C 3.5Å; F412-A818 VanDerWaalsContact O-CA 3.3Å; F412-A818 WeakPolarHBondContact O-CA 3.15Å; A818-M828 HydrophobicContact CB-CE 4.01Å; A818-M828 HydrophobicContact CB-CG 3.8Å; A818-M828 HydrophobicContact CB-SD 4.33Å; A818-I829 HydrophobicContact CB-CG1 4.34Å; A818-A832 HydrophobicContact CB-CB 3.52Å; A818-V834 PolarHBondContact N-O 2.93Å; A818-I836 PolarHBondContact O-N 3.4Å
819V95.6Very high85.4Confident0 Ų029.5 Ų29.50%016%0.155CC..EExtended strand (participates in β ladder)trans-118.7132.5175.9-1680000109.3V411 F412 D414 T418 L817 M828 I836 I838 F857 L860V411-V819 HydrophobicContact CG1-CG2 4.23Å; F412-V819 PolarHBondContact O-N 3.44Å; D414-V819 PolarHBondContact N-O 3.45Å; T418-V819 HydrophobicContact CG2-CB 4.42Å; T418-V819 HydrophobicContact CG2-CG1 3.92Å; L817-V819 HydrophobicContact CD2-CG2 3.3Å; V819-M828 VanDerWaalsContact O-CE 3.28Å; V819-M828 WeakPolarHBondContact O-CE 3.49Å; V819-I836 WeakPolarHBondContact CA-O 3.27Å; V819-I836 HydrophobicContact CG1-CG2 4.34Å; V819-I836 HydrophobicContact CG2-CB 4.23Å; V819-I838 HydrophobicContact CG1-CD1 3.82Å; V819-I838 HydrophobicContact CG1-CG1 3.93Å; V819-F857 HydrophobicContact CG1-CD2 4.4Å; V819-L860 HydrophobicContact CG2-CD1 4.31Å; V819-L860 HydrophobicContact CG2-CD2 3.98Å
820G90.7Very high85.4Confident0 Ų029.6 Ų29.60%015%0.151CC..EExtended strand (participates in β ladder)trans-162.7167.1173.300000111.2T418 D825 I836 G837 I838 A846T418-G820 WeakPolarHBondContact OG1-CA 3.41Å; G820-D825 WeakPolarHBondContact CA-OD2 3.47Å; G820-I836 PolarHBondContact N-O 2.92Å; G820-G837 CarbonylContact O-C 3.6Å; G820-G837 VanDerWaalsContact O-CA 3.27Å; G820-G837 WeakPolarHBondContact O-CA 3.45Å; G820-I838 PolarHBondContact O-N 3.15Å; G820-A846 WeakPolarHBondContact O-CB 3.39Å
821D84.4Confident85.5Confident4 Ų431.8 Ų31.82%0.02116%0.16CC..SBendtrans-117.6-33.6-178.370.5-45.3000112.2G417 T418 I838 A846G417-D821 WeakPolarHBondContact CA-OD2 3.26Å; T418-D821 PolarHBondContact OG1-N 3.07Å; T418-D821 PolarHBondContact OG1-OD1 3.21Å; D821-I838 HydrophobicContact CB-CB 3.91Å; D821-I838 HydrophobicContact CB-CG2 4.3Å; D821-A846 VanDerWaalsContact C-CB 3.4Å; D821-A846 WeakPolarHBondContact O-CB 3.34Å
822G73.9Confident86.1Confident5 Ų524 Ų245%0.05213%0.126CC..SBendtrans-93.7174.4-176.600000115.9N824 D825G822-N824 VanDerWaalsContact C-N 3.27Å; G822-N824 PolarHBondContact O-N 3.49Å; G822-D825 PolarHBondContact O-N 3.12Å
823A67.3Low86.8Confident20 Ų2021.5 Ų21.517%0.16512%0.115CC..G310 helixtrans-68-28.9177.200000113.3D184 D825 V826D184-A823 VanDerWaalsContact C-CB 3.49Å; D184-A823 HydrophobicContact CB-CB 4.28Å; D184-A823 WeakPolarHBondContact O-CB 3.22Å; D184-A823 PolarHBondContact O-N 3.06Å; A823-D825 PolarHBondContact O-N 3.35Å; A823-D825 VanDerWaalsContact O-N 3.09Å; A823-V826 WeakPolarHBondContact O-CB 3.43Å; A823-V826 PolarHBondContact O-N 3.1Å; A823-V826 VanDerWaalsContact O-N 3.07Å
824N72.6Confident87.2Confident75 Ų7515.9 Ų15.940%0.4019%0.088SC..G310 helixtrans-56.8-25.3175.9-69.2-34.7000112.3P797 G822P797-N824 WeakPolarHBondContact CB-O 3.46Å; P797-N824 HydrophobicContact CG-CB 4.19Å; G822-N824 VanDerWaalsContact C-N 3.27Å; G822-N824 PolarHBondContact O-N 3.49Å
825D81.1Confident87.3Confident2 Ų215.9 Ų15.91%0.0119%0.088CC..G310 helixtrans-96.8-11.5-177.5-56.3-38.7000113.4D414 K800 G820 G822 A823 S827 M828 I829D414-D825 WeakPolarHBondContact CB-OD2 3.46Å; K800-D825 IonicContact NZ-OD1 2.74Å; K800-D825 PolarHBondContact NZ-OD1 3.48Å; G820-D825 WeakPolarHBondContact CA-OD2 3.47Å; G822-D825 PolarHBondContact O-N 3.12Å; A823-D825 PolarHBondContact O-N 3.35Å; A823-D825 VanDerWaalsContact O-N 3.09Å; D825-S827 PolarHBondContact O-N 3.48Å; D825-M828 HydrophobicContact CB-CE 4.19Å; D825-M828 WeakPolarHBondContact O-CA 3.42Å; D825-M828 WeakPolarHBondContact O-CB 3.3Å; D825-M828 PolarHBondContact O-N 2.75Å; D825-I829 HydrophobicContact CB-CD1 4.16Å; D825-I829 WeakPolarHBondContact O-CB 3.46Å; D825-I829 VanDerWaalsContact O-CG1 3.3Å; D825-I829 WeakPolarHBondContact O-CG1 3.46Å; D825-I829 PolarHBondContact O-N 2.88Å
826V78.8Confident87.4Confident16 Ų1615 Ų1510%0.0978%0.084CC..Hα-helixtrans-55.9-41.6-179.5171.30000110.8A823 M828 I829 L830 Q845 N849A823-V826 WeakPolarHBondContact O-CB 3.43Å; A823-V826 PolarHBondContact O-N 3.1Å; A823-V826 VanDerWaalsContact O-N 3.07Å; V826-M828 VanDerWaalsContact C-N 3.32Å; V826-M828 PolarHBondContact O-N 3.16Å; V826-I829 PolarHBondContact O-N 3.32Å; V826-L830 HydrophobicContact CG1-CD1 3.71Å; V826-L830 HydrophobicContact CG1-CG 4.15Å; V826-L830 WeakPolarHBondContact O-CB 3.29Å; V826-L830 VanDerWaalsContact O-CG 3.23Å; V826-L830 WeakPolarHBondContact O-CG 3.4Å; V826-L830 PolarHBondContact O-N 3.45Å; V826-Q845 HydrophobicContact CG2-CB 4.38Å; V826-N849 HydrophobicContact CG1-CB 3.97Å; V826-N849 WeakPolarHBondContact CG1-ND2 3.46Å; V826-N849 HydrophobicContact CG2-CB 4.42Å
827S81.7Confident87.2Confident33 Ų3315 Ų1523%0.2318%0.084CC..Hα-helixtrans-61.9-38.6177.465.30000112.8P797 D825 E831P797-S827 PolarHBondContact O-OG 3.07Å; P797-S827 VanDerWaalsContact O-OG 3.04Å; D825-S827 PolarHBondContact O-N 3.48Å; S827-E831 WeakPolarHBondContact O-CB 3.45Å; S827-E831 PolarHBondContact O-N 2.98Å
828M88Confident86.9Confident0 Ų015 Ų150%08%0.084CC..Hα-helixtrans-69.8-45176.4-174.3-174.763.500111.5F412 L687 K800 V804 A818 V819 D825 V826 E831 A832F412-M828 HydrophobicContact CB-SD 3.84Å; L687-M828 HydrophobicContact CB-SD 4.47Å; L687-M828 HydrophobicContact CD1-SD 3.72Å; L687-M828 HydrophobicContact CG-SD 4.46Å; K800-M828 HydrophobicContact CB-CB 4.09Å; K800-M828 HydrophobicContact CB-CG 4.32Å; K800-M828 HydrophobicContact CB-SD 4.3Å; V804-M828 HydrophobicContact CG2-CG 3.48Å; V804-M828 VanDerWaalsContact CG2-CG 3.48Å; V804-M828 HydrophobicContact CG2-SD 4.42Å; A818-M828 HydrophobicContact CB-CE 4.01Å; A818-M828 HydrophobicContact CB-CG 3.8Å; A818-M828 HydrophobicContact CB-SD 4.33Å; V819-M828 VanDerWaalsContact O-CE 3.28Å; V819-M828 WeakPolarHBondContact O-CE 3.49Å; D825-M828 HydrophobicContact CB-CE 4.19Å; D825-M828 WeakPolarHBondContact O-CA 3.42Å; D825-M828 WeakPolarHBondContact O-CB 3.3Å; D825-M828 PolarHBondContact O-N 2.75Å; V826-M828 VanDerWaalsContact C-N 3.32Å; V826-M828 PolarHBondContact O-N 3.16Å; M828-E831 PolarHBondContact O-N 2.88Å; M828-A832 PolarHBondContact O-N 3.23Å; M828-A832 VanDerWaalsContact O-N 3.09Å
829I89.1Confident86.4Confident0 Ų015.5 Ų15.50%09%0.086CC..Hα-helixtrans-62.3-41.9179.4-70.9171.3000111.6K285 A818 D825 V826 A846K285-I829 PolarHBondContact NZ-O 2.99Å; A818-I829 HydrophobicContact CB-CG1 4.34Å; D825-I829 HydrophobicContact CB-CD1 4.16Å; D825-I829 WeakPolarHBondContact O-CB 3.46Å; D825-I829 VanDerWaalsContact O-CG1 3.3Å; D825-I829 WeakPolarHBondContact O-CG1 3.46Å; D825-I829 PolarHBondContact O-N 2.88Å; V826-I829 PolarHBondContact O-N 3.32Å; I829-A846 HydrophobicContact CD1-CB 3.69Å
830L85.4Confident85Confident61 Ų6116.6 Ų16.632%0.31910%0.097SC..Hα-helixtrans-71.2-34.2179.1-69.6175.8000112.3V826V826-L830 HydrophobicContact CG1-CD1 3.71Å; V826-L830 HydrophobicContact CG1-CG 4.15Å; V826-L830 WeakPolarHBondContact O-CB 3.29Å; V826-L830 VanDerWaalsContact O-CG 3.23Å; V826-L830 WeakPolarHBondContact O-CG 3.4Å; V826-L830 PolarHBondContact O-N 3.45Å
831E89.1Confident83.5Confident56 Ų5624.1 Ų24.126%0.26213%0.13SC..Hα-helixtrans-76.3-32179.5-175.159.9-131.600112.9A801 V804 K805 K808 S827 M828A801-E831 HydrophobicContact CB-CB 4.34Å; V804-E831 HydrophobicContact CB-CG 4.32Å; V804-E831 HydrophobicContact CG1-CB 4.41Å; V804-E831 HydrophobicContact CG1-CG 4.2Å; K805-E831 HydrophobicContact CB-CG 3.88Å; K808-E831 PolarHBondContact NZ-O 3.44Å; K808-E831 IonicContact NZ-OE1 3.08Å; S827-E831 WeakPolarHBondContact O-CB 3.45Å; S827-E831 PolarHBondContact O-N 2.98Å; M828-E831 PolarHBondContact O-N 2.88Å
832A92.6Very high81.9Confident1 Ų125.7 Ų25.71%0.00814%0.137CC..SBendtrans-64.7157.4178.800000113.4K285 V804 A818 M828 V834K285-A832 VanDerWaalsContact CE-O 3.25Å; K285-A832 WeakPolarHBondContact CE-O 3.36Å; K285-A832 PolarHBondContact NZ-O 2.93Å; V804-A832 HydrophobicContact CG1-CB 3.92Å; A818-A832 HydrophobicContact CB-CB 3.52Å; M828-A832 PolarHBondContact O-N 3.23Å; M828-A832 VanDerWaalsContact O-N 3.09Å; A832-V834 VanDerWaalsContact C-N 3.33Å; A832-V834 WeakPolarHBondContact CB-O 3.38Å
833H93.4Very high81.2Confident41 Ų4125.6 Ų25.619%0.1914%0.137CC..SBendtrans-65.2-38.6173.8-66.3100000111.8K285 K808 P814 I815 T816K285-H833 WeakPolarHBondContact CD-O 3.32Å; K808-H833 VanDerWaalsContact CG-CE1 3.43Å; K808-H833 WeakPolarHBondContact CG-CE1 3.45Å; P814-H833 PolarHBondContact O-CE1 3.48Å; I815-H833 HydrophobicContact CG2-CB 4.08Å; T816-H833 PolarHBondContact N-ND1 2.7Å; T816-H833 WeakPolarHBondContact O-CB 3.48Å; T816-H833 PolarHBondContact O-N 2.81Å; T816-H833 PolarHBondContact OG1-N 3.24Å; T816-H833 PolarHBondContact OG1-ND1 3.43Å
834V94.8Very high81.1Confident0 Ų031.8 Ų31.80%016%0.156CC..EExtended strand (participates in β ladder)trans-126.6126.5172.2-177.50000108.5E404 L405 T816 L817 A818 A832 I836 Y852E404-V834 HydrophobicContact CB-CG2 3.84Å; E404-V834 HydrophobicContact CG-CG2 3.72Å; L405-V834 HydrophobicContact CD2-CG1 3.86Å; T816-V834 PolarHBondContact O-N 3.39Å; L817-V834 CarbonylContact C-O 3.54Å; L817-V834 VanDerWaalsContact CA-O 3.28Å; L817-V834 WeakPolarHBondContact CA-O 3.45Å; L817-V834 HydrophobicContact CB-CB 4.48Å; L817-V834 HydrophobicContact CD1-CB 4.28Å; L817-V834 HydrophobicContact CD1-CG1 4.11Å; L817-V834 HydrophobicContact CG-CB 4.23Å; L817-V834 HydrophobicContact CG-CG1 4.34Å; A818-V834 PolarHBondContact N-O 2.93Å; A832-V834 VanDerWaalsContact C-N 3.33Å; A832-V834 WeakPolarHBondContact CB-O 3.38Å; V834-I836 HydrophobicContact CG1-CG1 4.33Å; V834-Y852 HydrophobicContact CG1-CD2 3.88Å; V834-Y852 HydrophobicContact CG1-CE2 3.87Å
835G93.9Very high80.9Confident0 Ų029.2 Ų29.20%014%0.141CC..EExtended strand (participates in β ladder)trans-107.1126.7174.100000110.8S850 D851 Y852G835-S850 WeakPolarHBondContact O-CB 3.27Å; G835-D851 PolarHBondContact N-OD2 3.18Å; G835-D851 WeakPolarHBondContact O-CA 3.42Å; G835-D851 WeakPolarHBondContact O-CB 3.48Å; G835-D851 PolarHBondContact O-N 2.88Å; G835-Y852 PolarHBondContact O-N 3.19Å
836I94.9Very high80.5Confident0 Ų029.1 Ų29.10%014%0.141CC..EExtended strand (participates in β ladder)trans-114.9127.4173.6-59.6-171.3000109L405 L817 A818 V819 G820 V834 Y852 I854 L860 M863L405-I836 HydrophobicContact CD2-CD1 4.5Å; L817-I836 HydrophobicContact CD1-CD1 3.73Å; L817-I836 HydrophobicContact CD1-CG1 4.25Å; L817-I836 HydrophobicContact CD2-CD1 4.09Å; L817-I836 HydrophobicContact CD2-CG1 4.26Å; L817-I836 HydrophobicContact CG-CD1 4.26Å; L817-I836 HydrophobicContact CG-CG1 4.34Å; A818-I836 PolarHBondContact O-N 3.4Å; V819-I836 WeakPolarHBondContact CA-O 3.27Å; V819-I836 HydrophobicContact CG1-CG2 4.34Å; V819-I836 HydrophobicContact CG2-CB 4.23Å; G820-I836 PolarHBondContact N-O 2.92Å; V834-I836 HydrophobicContact CG1-CG1 4.33Å; I836-Y852 CarbonylContact C-O 3.59Å; I836-Y852 VanDerWaalsContact CA-O 3.23Å; I836-Y852 WeakPolarHBondContact CA-O 3.49Å; I836-I854 HydrophobicContact CG2-CD1 3.79Å; I836-I854 HydrophobicContact CG2-CG1 3.78Å; I836-I854 HydrophobicContact CG2-CG2 4.44Å; I836-L860 HydrophobicContact CD1-CD1 3.5Å; I836-L860 VanDerWaalsContact CD1-CD1 3.5Å; I836-M863 HydrophobicContact CD1-CE 4.26Å; I836-M863 HydrophobicContact CD1-SD 3.8Å
837G92.2Very high80.5Confident0 Ų028.7 Ų28.70%014%0.139CC..EExtended strand (participates in β ladder)trans-102133.9173.300000110.9G820 S850 Y852 A853 I854G820-G837 CarbonylContact O-C 3.6Å; G820-G837 VanDerWaalsContact O-CA 3.27Å; G820-G837 WeakPolarHBondContact O-CA 3.45Å; G837-S850 PolarHBondContact N-OG 2.7Å; G837-Y852 PolarHBondContact N-O 2.98Å; G837-A853 CarbonylContact O-C 3.57Å; G837-A853 WeakPolarHBondContact O-CA 3.35Å; G837-I854 PolarHBondContact O-N 3.02Å
838I90.4Very high80.2Confident1 Ų131.1 Ų31.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-85.8134.5169-67.9176.3000109T418 V819 G820 D821 G840 I854 F857T418-I838 HydrophobicContact CG2-CD1 3.62Å; V819-I838 HydrophobicContact CG1-CD1 3.82Å; V819-I838 HydrophobicContact CG1-CG1 3.93Å; G820-I838 PolarHBondContact O-N 3.15Å; D821-I838 HydrophobicContact CB-CB 3.91Å; D821-I838 HydrophobicContact CB-CG2 4.3Å; I838-G840 PolarHBondContact O-N 3.09Å; I838-I854 CarbonylContact C-O 3.59Å; I838-I854 VanDerWaalsContact CA-O 3.25Å; I838-I854 WeakPolarHBondContact CA-O 3.46Å; I838-I854 HydrophobicContact CG1-CG1 4.13Å; I838-F857 HydrophobicContact CD1-CB 4.1Å; I838-F857 HydrophobicContact CD1-CD2 4.2Å
839M83.7Confident79.6Confident11 Ų1131.9 Ų31.95%0.05415%0.147CC..  trans-80.272.5174.3-52.7-179.9-176.900109L390 Q392 G393 Q395 A847 A853 I854L390-M839 WeakPolarHBondContact CD1-O 3.49Å; Q392-M839 HydrophobicContact CB-SD 4.39Å; G393-M839 WeakPolarHBondContact O-CE 3.23Å; Q395-M839 HydrophobicContact CB-CE 3.67Å; M839-A847 HydrophobicContact CG-CB 4.17Å; M839-A853 HydrophobicContact CE-CB 3.38Å; M839-A853 HydrophobicContact CG-CB 4.14Å; M839-I854 PolarHBondContact N-O 3.24Å
840G67.3Low79.5Confident22 Ų2231.9 Ų31.923%0.22715%0.147CC..  trans-78.2168.5-178.700000113.7I838 E842I838-G840 PolarHBondContact O-N 3.09Å; G840-E842 PolarHBondContact O-N 3.24Å
841K58Low79.7Confident158 Ų15829.3 Ų29.369%0.68713%0.134SC*.SBendtrans-68.1-23.7169.1-65.1-179.4180175.60112.3
842E51.2Low79.9Confident37 Ų3726.8 Ų26.817%0.17312%0.122CC..SBendtrans-69.9-35.6-178.6-92.5-158.9173.200112.2T181 G185 N422 G840T181-E842 VanDerWaalsContact CA-O 3.27Å; T181-E842 WeakPolarHBondContact CA-O 3.34Å; T181-E842 WeakPolarHBondContact CG2-O 3.49Å; G185-E842 CarbonylContact C-O 3.5Å; G185-E842 WeakPolarHBondContact CA-O 3.23Å; G185-E842 CarbonylContact O-C 3.54Å; G185-E842 WeakPolarHBondContact O-CA 3.3Å; G185-E842 WeakPolarHBondContact O-CB 3.05Å; G185-E842 WeakPolarHBondContact O-CG 3.46Å; N422-E842 PolarHBondContact ND2-OE1 3.21Å; G840-E842 PolarHBondContact O-N 3.24Å
843G58.7Low79.8Confident4 Ų426.7 Ų26.74%0.04112%0.121CC..  trans169.7170.7179.100000114.2T181T181-G843 WeakPolarHBondContact O-CA 3.3Å
844R66.9Low79.8Confident150 Ų15024.8 Ų24.857%0.56611%0.112SC*.SBendtrans-108.313.5177.8-67.5-172.6176.3-180-2.7113.6Q392 R848Q392-R844 VanDerWaalsContact NE2-NH2 3.11Å; R844-R848 VanDerWaalsContact O-CB 3.27Å; R844-R848 WeakPolarHBondContact O-CB 3.37Å; R844-R848 PolarHBondContact O-N 3.22Å
845Q66.6Low79.7Confident20 Ų2024.9 Ų24.99%0.09311%0.113CC..Hα-helixtrans-70.8-50.5-174.3-70.7-144.9-19.200113.6S182 L183 V826 A847 R848 N849S182-Q845 VanDerWaalsContact O-CD 3.29Å; S182-Q845 WeakPolarHBondContact O-CG 3.35Å; S182-Q845 PolarHBondContact O-NE2 3.41Å; L183-Q845 PolarHBondContact O-NE2 2.93Å; L183-Q845 PolarHBondContact O-OE1 3.34Å; V826-Q845 HydrophobicContact CG2-CB 4.38Å; Q845-A847 VanDerWaalsContact C-N 3.3Å; Q845-A847 PolarHBondContact O-N 3.32Å; Q845-R848 PolarHBondContact O-N 3.47Å; Q845-N849 WeakPolarHBondContact O-CB 3.42Å; Q845-N849 PolarHBondContact O-N 3.48Å; Q845-N849 PolarHBondContact O-ND2 2.57Å
846A73.6Confident79.6Confident0 Ų026.3 Ų26.30%012%0.119CC..Hα-helixtrans-58.4-47.7174.200000109.6G820 D821 I829 R848 N849 S850G820-A846 WeakPolarHBondContact O-CB 3.39Å; D821-A846 VanDerWaalsContact C-CB 3.4Å; D821-A846 WeakPolarHBondContact O-CB 3.34Å; I829-A846 HydrophobicContact CD1-CB 3.69Å; A846-R848 PolarHBondContact O-N 2.69Å; A846-N849 PolarHBondContact O-N 3.42Å; A846-S850 WeakPolarHBondContact O-CB 3.35Å; A846-S850 PolarHBondContact O-N 2.9Å; A846-S850 PolarHBondContact O-OG 3.04Å
847A79.9Confident79.5Confident8 Ų826.3 Ų26.37%0.06612%0.119CC..Hα-helixtrans-54-45175.300000113.1N397 M839 Q845 S850 A853N397-A847 PolarHBondContact ND2-O 2.88Å; M839-A847 HydrophobicContact CG-CB 4.17Å; Q845-A847 VanDerWaalsContact C-N 3.3Å; Q845-A847 PolarHBondContact O-N 3.32Å; A847-S850 PolarHBondContact O-OG 3.17Å; A847-A853 HydrophobicContact CB-CB 3.82Å
848R74.3Confident79.6Confident84 Ų8428.6 Ų28.632%0.31713%0.129SC..Hα-helixtrans-70.9-38.7179.7-170.3179.172.4-162.7-1.3113.4K282 R844 Q845 A846K282-R848 PolarHBondContact NZ-O 3.37Å; R844-R848 VanDerWaalsContact O-CB 3.27Å; R844-R848 WeakPolarHBondContact O-CB 3.37Å; R844-R848 PolarHBondContact O-N 3.22Å; Q845-R848 PolarHBondContact O-N 3.47Å; A846-R848 PolarHBondContact O-N 2.69Å
849N76.2Confident79.8Confident15 Ų1529 Ų298%0.0813%0.131CC..Hα-helixtrans-85.7-19.1-175.6-68.6-27.4000113K282 V826 Q845 A846K282-N849 WeakPolarHBondContact CE-O 3.38Å; K282-N849 PolarHBondContact NZ-O 2.64Å; V826-N849 HydrophobicContact CG1-CB 3.97Å; V826-N849 WeakPolarHBondContact CG1-ND2 3.46Å; V826-N849 HydrophobicContact CG2-CB 4.42Å; Q845-N849 WeakPolarHBondContact O-CB 3.42Å; Q845-N849 PolarHBondContact O-N 3.48Å; Q845-N849 PolarHBondContact O-ND2 2.57Å; A846-N849 PolarHBondContact O-N 3.42Å
850S86.4Confident80.4Confident0 Ų028.4 Ų28.40%013%0.128CC..SBendtrans-68166.3174.869.60000114K282 N397 G835 G837 A846 A847 Y852K282-S850 PolarHBondContact NZ-O 2.82Å; N397-S850 WeakPolarHBondContact CB-O 3.46Å; N397-S850 PolarHBondContact ND2-O 2.84Å; G835-S850 WeakPolarHBondContact O-CB 3.27Å; G837-S850 PolarHBondContact N-OG 2.7Å; A846-S850 WeakPolarHBondContact O-CB 3.35Å; A846-S850 PolarHBondContact O-N 2.9Å; A846-S850 PolarHBondContact O-OG 3.04Å; A847-S850 PolarHBondContact O-OG 3.17Å; S850-Y852 WeakPolarHBondContact CB-O 3.48Å; S850-Y852 PolarHBondContact OG-O 3.39Å
851D89.7Confident81.7Confident8 Ų829.1 Ų29.14%0.04313%0.125CC..SBendtrans-80.4-34.6172.1-60.9-58000111.1K285 N397 T398 L401 G835K285-D851 WeakPolarHBondContact CE-OD2 3.44Å; K285-D851 IonicContact NZ-OD2 3Å; K285-D851 PolarHBondContact NZ-OD2 3.38Å; N397-D851 WeakPolarHBondContact CA-O 3.35Å; N397-D851 WeakPolarHBondContact CB-O 3.39Å; N397-D851 PolarHBondContact N-O 2.91Å; T398-D851 PolarHBondContact N-O 3.46Å; T398-D851 PolarHBondContact OG1-OD1 3.15Å; L401-D851 HydrophobicContact CD1-CB 4.13Å; G835-D851 PolarHBondContact N-OD2 3.18Å; G835-D851 WeakPolarHBondContact O-CA 3.42Å; G835-D851 WeakPolarHBondContact O-CB 3.48Å; G835-D851 PolarHBondContact O-N 2.88Å
852Y92.8Very high83.4Confident2 Ų222.4 Ų22.41%0.00810%0.096CC..EExtended strand (participates in β ladder)trans-134.4138.7176.7-56.7-85.7000110.2I379 Q395 V396 L401 N402 L405 V834 G835 I836 G837 S850 M863I379-Y852 HydrophobicContact CD1-CD1 4.38Å; I379-Y852 HydrophobicContact CD1-CE1 3.89Å; Q395-Y852 CarbonylContact O-C 3.49Å; Q395-Y852 WeakPolarHBondContact O-CA 3.28Å; V396-Y852 HydrophobicContact CB-CD1 4.26Å; V396-Y852 HydrophobicContact CB-CE1 4.36Å; V396-Y852 HydrophobicContact CG1-CD1 3.88Å; V396-Y852 HydrophobicContact CG1-CE1 3.59Å; V396-Y852 HydrophobicContact CG2-CD1 3.95Å; V396-Y852 HydrophobicContact CG2-CE1 4.08Å; L401-Y852 HydrophobicContact CB-CE2 4.44Å; L401-Y852 PolarHBondContact O-OH 3.4Å; N402-Y852 WeakPolarHBondContact CA-OH 3.17Å; N402-Y852 PolarHBondContact N-OH 3.06Å; N402-Y852 PolarHBondContact OD1-OH 2.97Å; L405-Y852 HydrophobicContact CD1-CE1 4.26Å; L405-Y852 HydrophobicContact CD1-CE2 4.16Å; L405-Y852 HydrophobicContact CD2-CD2 4.27Å; L405-Y852 HydrophobicContact CD2-CE2 4.01Å; L405-Y852 HydrophobicContact CG-CE2 4.18Å; V834-Y852 HydrophobicContact CG1-CD2 3.88Å; V834-Y852 HydrophobicContact CG1-CE2 3.87Å; G835-Y852 PolarHBondContact O-N 3.19Å; I836-Y852 CarbonylContact C-O 3.59Å; I836-Y852 VanDerWaalsContact CA-O 3.23Å; I836-Y852 WeakPolarHBondContact CA-O 3.49Å; G837-Y852 PolarHBondContact N-O 2.98Å; S850-Y852 WeakPolarHBondContact CB-O 3.48Å; S850-Y852 PolarHBondContact OG-O 3.39Å; Y852-M863 HydrophobicContact CD1-CE 3.27Å; Y852-M863 HydrophobicContact CD2-CE 3.68Å; Y852-M863 HydrophobicContact CE1-CE 3.94Å; Y852-M863 HydrophobicContact CE2-CE 4.29Å; Y852-M863 HydrophobicContact CG-CE 3.13Å
853A91.4Very high85.5Confident0 Ų020.6 Ų20.60%09%0.088CC..EExtended strand (participates in β ladder)trans-113.1130.9172.100000110.3A394 Q395 G837 M839 A847A394-A853 CarbonylContact C-O 3.59Å; A394-A853 VanDerWaalsContact CA-O 3.32Å; A394-A853 WeakPolarHBondContact CA-O 3.42Å; Q395-A853 HydrophobicContact CB-CB 4.32Å; Q395-A853 PolarHBondContact N-O 3.37Å; Q395-A853 PolarHBondContact O-N 3.02Å; G837-A853 CarbonylContact O-C 3.57Å; G837-A853 WeakPolarHBondContact O-CA 3.35Å; M839-A853 HydrophobicContact CE-CB 3.38Å; M839-A853 HydrophobicContact CG-CB 4.14Å; A847-A853 HydrophobicContact CB-CB 3.82Å
854I93.9Very high87.3Confident0 Ų020.4 Ų20.40%09%0.086CC..EExtended strand (participates in β ladder)trans-123.9148.4177.361.6177.4000109.7A394 I836 G837 I838 M839 K856 H859 L860 M863A394-I854 HydrophobicContact CB-CG2 4.33Å; I836-I854 HydrophobicContact CG2-CD1 3.79Å; I836-I854 HydrophobicContact CG2-CG1 3.78Å; I836-I854 HydrophobicContact CG2-CG2 4.44Å; G837-I854 PolarHBondContact O-N 3.02Å; I838-I854 CarbonylContact C-O 3.59Å; I838-I854 VanDerWaalsContact CA-O 3.25Å; I838-I854 WeakPolarHBondContact CA-O 3.46Å; I838-I854 HydrophobicContact CG1-CG1 4.13Å; M839-I854 PolarHBondContact N-O 3.24Å; I854-K856 WeakPolarHBondContact CD1-O 3.29Å; I854-H859 HydrophobicContact CB-CB 4.41Å; I854-L860 HydrophobicContact CD1-CB 4.27Å; I854-M863 HydrophobicContact CG2-SD 3.81Å
855P91Very high88.6Confident2 Ų213.5 Ų13.51%0.0136%0.06CC..SBendtrans-74.2-36-17624.6-31000113.9D387 L390D387-P855 HydrophobicContact CB-CB 3.5Å; D387-P855 HydrophobicContact CB-CG 3.67Å; L390-P855 HydrophobicContact CD1-CB 3.89Å
856K91.6Very high90Very high30 Ų3012.6 Ų12.613%0.136%0.055CC..SBendtrans-139.5155.4-177.1-57.4-77.2-174.21590110.8D387 E389 I854 K858 H859D387-K856 WeakPolarHBondContact OD1-CE 3.38Å; D387-K856 WeakPolarHBondContact OD1-CG 3.28Å; E389-K856 IonicContact OE2-NZ 3.1Å; E389-K856 PolarHBondContact OE2-NZ 2.98Å; I854-K856 WeakPolarHBondContact CD1-O 3.29Å; K856-K858 VanDerWaalsContact C-N 3.29Å; K856-K858 HydrophobicContact CB-CG 4.12Å; K856-K858 PolarHBondContact O-N 3.23Å; K856-H859 PolarHBondContact O-CD2 3.13Å; K856-H859 PolarHBondContact O-N 3.42Å
857F93.6Very high91Very high0 Ų013.4 Ų13.40%06%0.059CC..THydrogen-bonded Turntrans-61.6-32-178.6-174-97.1000113.4T418 L419 A670 T673 I674 V819 I838 H859 L860T418-F857 HydrophobicContact CG2-CD2 3.81Å; T418-F857 HydrophobicContact CG2-CE2 4.16Å; T418-F857 WeakPolarHBondContact O-CB 3.3Å; L419-F857 HydrophobicContact CD2-CD1 4.14Å; L419-F857 HydrophobicContact CD2-CD2 4.25Å; L419-F857 HydrophobicContact CD2-CE1 3.75Å; L419-F857 HydrophobicContact CD2-CE2 3.87Å; L419-F857 HydrophobicContact CD2-CG 4.38Å; L419-F857 HydrophobicContact CD2-CZ 3.6Å; A670-F857 HydrophobicContact CB-CD1 4.21Å; T673-F857 HydrophobicContact CG2-CD1 4.04Å; T673-F857 HydrophobicContact CG2-CE1 3.64Å; T673-F857 HydrophobicContact CG2-CZ 4.4Å; I674-F857 HydrophobicContact CG1-CE1 4.01Å; I674-F857 HydrophobicContact CG1-CZ 4.24Å; V819-F857 HydrophobicContact CG1-CD2 4.4Å; I838-F857 HydrophobicContact CD1-CB 4.1Å; I838-F857 HydrophobicContact CD1-CD2 4.2Å; F857-H859 PolarHBondContact O-N 3.29Å; F857-H859 VanDerWaalsContact O-N 3.08Å; F857-L860 HydrophobicContact CD2-CD2 4.38Å; F857-L860 HydrophobicContact CE2-CD2 3.76Å; F857-L860 HydrophobicContact CZ-CD2 3.93Å; F857-L860 WeakPolarHBondContact O-CB 3.32Å; F857-L860 PolarHBondContact O-N 3.35Å
858K93.5Very high91.7Very high48 Ų4813 Ų1321%0.2096%0.056CC..THydrogen-bonded Turntrans-54.5-30.2178.466.8-176.4174.8-175.50114.3E668 K669 K856 L860 K861E668-K858 WeakPolarHBondContact O-CB 3.42Å; E668-K858 IonicContact OE2-NZ 3.5Å; E668-K858 PolarHBondContact OE2-NZ 3.38Å; K669-K858 HydrophobicContact CB-CB 4.16Å; K856-K858 VanDerWaalsContact C-N 3.29Å; K856-K858 HydrophobicContact CB-CG 4.12Å; K856-K858 PolarHBondContact O-N 3.23Å; K858-L860 PolarHBondContact O-N 2.78Å; K858-K861 WeakPolarHBondContact O-CB 3.42Å; K858-K861 PolarHBondContact O-N 3.39Å
859H95.5Very high92.6Very high9 Ų99 Ų94%0.0424%0.041CC..Hα-helixtrans-71.3-19.2-178.6-57.7-62.8000112.5E384 M385 I854 K856 F857 K861 K862 M863E384-H859 PolarHBondContact O-CE1 3.47Å; E384-H859 PolarHBondContact O-ND1 3.45Å; M385-H859 WeakPolarHBondContact CA-ND1 3.35Å; M385-H859 HydrophobicContact CG-CB 4.22Å; M385-H859 HydrophobicContact SD-CB 4.46Å; I854-H859 HydrophobicContact CB-CB 4.41Å; K856-H859 PolarHBondContact O-CD2 3.13Å; K856-H859 PolarHBondContact O-N 3.42Å; F857-H859 PolarHBondContact O-N 3.29Å; F857-H859 VanDerWaalsContact O-N 3.08Å; H859-K861 PolarHBondContact O-N 3.3Å; H859-K862 PolarHBondContact O-N 3.22Å; H859-M863 VanDerWaalsContact O-CB 3.32Å; H859-M863 WeakPolarHBondContact O-CB 3.17Å; H859-M863 PolarHBondContact O-N 3.49Å
860L95.4Very high93.5Very high0 Ų08.7 Ų8.70%04%0.039CC..Hα-helixtrans-57-36.7174.3-172.364.9000111.9V411 T673 L677 L817 V819 I836 I854 F857 K858 M863 L864V411-L860 HydrophobicContact CG1-CD2 4.36Å; T673-L860 HydrophobicContact CG2-CB 4.33Å; L677-L860 HydrophobicContact CD1-CD2 4.07Å; L817-L860 HydrophobicContact CD2-CD1 4.4Å; V819-L860 HydrophobicContact CG2-CD1 4.31Å; V819-L860 HydrophobicContact CG2-CD2 3.98Å; I836-L860 HydrophobicContact CD1-CD1 3.5Å; I836-L860 VanDerWaalsContact CD1-CD1 3.5Å; I854-L860 HydrophobicContact CD1-CB 4.27Å; F857-L860 HydrophobicContact CD2-CD2 4.38Å; F857-L860 HydrophobicContact CE2-CD2 3.76Å; F857-L860 HydrophobicContact CZ-CD2 3.93Å; F857-L860 WeakPolarHBondContact O-CB 3.32Å; F857-L860 PolarHBondContact O-N 3.35Å; K858-L860 PolarHBondContact O-N 2.78Å; L860-M863 PolarHBondContact O-N 3.44Å; L860-L864 HydrophobicContact CD1-CD1 3.81Å; L860-L864 HydrophobicContact CD1-CG 3.98Å; L860-L864 HydrophobicContact CG-CD1 3.95Å; L860-L864 HydrophobicContact CG-CG 4.37Å; L860-L864 WeakPolarHBondContact O-CG 3.27Å; L860-L864 PolarHBondContact O-N 3.43Å
861K94.9Very high93.9Very high37 Ų378.7 Ų8.716%0.1614%0.039CC..Hα-helixtrans-55.9-53.3175.8-175.5179179.2171.60111.3D672 T673 S676 K858 H859 L865D672-K861 IonicContact OD1-NZ 3.71Å; D672-K861 IonicContact OD2-NZ 2.69Å; D672-K861 PolarHBondContact OD2-NZ 3.48Å; T673-K861 HydrophobicContact CG2-CB 3.96Å; S676-K861 WeakPolarHBondContact OG-CE 3.22Å; S676-K861 PolarHBondContact OG-NZ 2.87Å; S676-K861 VanDerWaalsContact OG-NZ 3.14Å; K858-K861 WeakPolarHBondContact O-CB 3.42Å; K858-K861 PolarHBondContact O-N 3.39Å; H859-K861 PolarHBondContact O-N 3.3Å; K861-L865 HydrophobicContact CG-CD1 3.85Å; K861-L865 VanDerWaalsContact O-CB 3.24Å; K861-L865 WeakPolarHBondContact O-CB 3.47Å; K861-L865 VanDerWaalsContact O-CG 3.24Å; K861-L865 WeakPolarHBondContact O-CG 3.39Å; K861-L865 PolarHBondContact O-N 2.89Å
862K95Very high94.1Very high16 Ų168.3 Ų8.37%0.074%0.037CC..Hα-helixtrans-70.3-41.8-178.8-170.9178.4-173.4-179.50111.2D382 E384 M385 H859 L864 V866 H867D382-K862 IonicContact OD1-NZ 2.95Å; D382-K862 PolarHBondContact OD1-NZ 3.32Å; D382-K862 WeakPolarHBondContact OD2-CD 3.29Å; D382-K862 WeakPolarHBondContact OD2-CE 3.1Å; D382-K862 IonicContact OD2-NZ 3.78Å; D382-K862 PolarHBondContact OD2-NZ 3.42Å; E384-K862 HydrophobicContact CB-CD 4.23Å; E384-K862 IonicContact OE1-NZ 3.01Å; E384-K862 VanDerWaalsContact OE2-CD 3.26Å; E384-K862 WeakPolarHBondContact OE2-CD 3.36Å; E384-K862 VanDerWaalsContact OE2-CE 3.24Å; E384-K862 WeakPolarHBondContact OE2-CE 3.48Å; E384-K862 IonicContact OE2-NZ 3.85Å; E384-K862 PolarHBondContact OE2-NZ 2.94Å; M385-K862 HydrophobicContact CG-CD 4.32Å; H859-K862 PolarHBondContact O-N 3.22Å; K862-L864 VanDerWaalsContact C-N 3.35Å; K862-L864 PolarHBondContact O-N 2.68Å; K862-V866 HydrophobicContact CG-CB 4.14Å; K862-V866 HydrophobicContact CG-CG2 4Å; K862-V866 WeakPolarHBondContact O-CA 3.28Å; K862-V866 VanDerWaalsContact O-CB 3.26Å; K862-V866 WeakPolarHBondContact O-CB 3.23Å; K862-V866 PolarHBondContact O-N 2.95Å; K862-H867 PolarHBondContact O-N 3.4Å
863M95.4Very high94.1Very high0 Ų08.8 Ų8.80%04%0.039CC..Iπ-helixtrans-59.5-42.4-178.6-171.8174.6-174.800112.7M385 L405 I836 Y852 I854 H859 L860 H867 G868M385-M863 HydrophobicContact SD-CB 4.34Å; L405-M863 HydrophobicContact CD1-CE 3.73Å; L405-M863 HydrophobicContact CD1-CG 4.23Å; L405-M863 HydrophobicContact CD2-CE 3.99Å; I836-M863 HydrophobicContact CD1-CE 4.26Å; I836-M863 HydrophobicContact CD1-SD 3.8Å; Y852-M863 HydrophobicContact CD1-CE 3.27Å; Y852-M863 HydrophobicContact CD2-CE 3.68Å; Y852-M863 HydrophobicContact CE1-CE 3.94Å; Y852-M863 HydrophobicContact CE2-CE 4.29Å; Y852-M863 HydrophobicContact CG-CE 3.13Å; I854-M863 HydrophobicContact CG2-SD 3.81Å; H859-M863 VanDerWaalsContact O-CB 3.32Å; H859-M863 WeakPolarHBondContact O-CB 3.17Å; H859-M863 PolarHBondContact O-N 3.49Å; L860-M863 PolarHBondContact O-N 3.44Å; M863-H867 WeakPolarHBondContact O-CB 3.45Å; M863-G868 PolarHBondContact O-N 3.39Å
864L95.5Very high94.3Very high0 Ų09.4 Ų9.40%04%0.042CC..Iπ-helixtrans-82-53.9178.5-62.8180000112.3L405 V408 V411 L677 I682 L817 L860 K862 V866 G868 H869L405-L864 HydrophobicContact CB-CD2 4.14Å; L405-L864 HydrophobicContact CD2-CD2 3.82Å; L405-L864 WeakPolarHBondContact O-CD2 3.17Å; V408-L864 HydrophobicContact CG2-CD2 4.18Å; V411-L864 HydrophobicContact CG2-CD1 4.33Å; L677-L864 HydrophobicContact CD2-CD1 3.82Å; I682-L864 HydrophobicContact CD1-CD1 4.39Å; L817-L864 HydrophobicContact CD1-CD1 4.29Å; L817-L864 HydrophobicContact CD1-CD2 3.67Å; L860-L864 HydrophobicContact CD1-CD1 3.81Å; L860-L864 HydrophobicContact CD1-CG 3.98Å; L860-L864 HydrophobicContact CG-CD1 3.95Å; L860-L864 HydrophobicContact CG-CG 4.37Å; L860-L864 WeakPolarHBondContact O-CG 3.27Å; L860-L864 PolarHBondContact O-N 3.43Å; K862-L864 VanDerWaalsContact C-N 3.35Å; K862-L864 PolarHBondContact O-N 2.68Å; L864-V866 PolarHBondContact O-N 3.41Å; L864-G868 WeakPolarHBondContact O-CA 3.43Å; L864-G868 PolarHBondContact O-N 2.88Å; L864-H869 PolarHBondContact O-N 3.32Å
865L94.9Very high94.3Very high4 Ų49.4 Ų9.42%0.0214%0.042CC..Iπ-helixtrans-73.7-27.6-169.7-56.8179.5000113.5A680 K861 H869 P944 Y947A680-L865 HydrophobicContact CB-CD2 3.58Å; K861-L865 HydrophobicContact CG-CD1 3.85Å; K861-L865 VanDerWaalsContact O-CB 3.24Å; K861-L865 WeakPolarHBondContact O-CB 3.47Å; K861-L865 VanDerWaalsContact O-CG 3.24Å; K861-L865 WeakPolarHBondContact O-CG 3.39Å; K861-L865 PolarHBondContact O-N 2.89Å; L865-H869 WeakPolarHBondContact O-CB 3.38Å; L865-P944 HydrophobicContact CD1-CB 3.82Å; L865-P944 HydrophobicContact CD1-CG 3.99Å; L865-P944 HydrophobicContact CD2-CB 4.33Å; L865-Y947 HydrophobicContact CD2-CD2 4.07Å; L865-Y947 HydrophobicContact CD2-CG 4.19Å
866V94.8Very high94.4Very high1 Ų19.4 Ų9.41%0.0064%0.041CC..Iπ-helixtrans-104.3-65.9-179.5-1760000110.2K862 L864 H869 Y870 I937 L940 K941K862-V866 HydrophobicContact CG-CB 4.14Å; K862-V866 HydrophobicContact CG-CG2 4Å; K862-V866 WeakPolarHBondContact O-CA 3.28Å; K862-V866 VanDerWaalsContact O-CB 3.26Å; K862-V866 WeakPolarHBondContact O-CB 3.23Å; K862-V866 PolarHBondContact O-N 2.95Å; L864-V866 PolarHBondContact O-N 3.41Å; V866-H869 PolarHBondContact O-N 2.66Å; V866-Y870 HydrophobicContact CG1-CD2 4.01Å; V866-Y870 HydrophobicContact CG1-CE2 3.59Å; V866-Y870 WeakPolarHBondContact O-CD2 3.41Å; V866-Y870 PolarHBondContact O-N 2.89Å; V866-I937 HydrophobicContact CG1-CB 4.27Å; V866-I937 HydrophobicContact CG1-CG1 3.91Å; V866-I937 HydrophobicContact CG1-CG2 3.94Å; V866-I937 HydrophobicContact CG2-CG2 4.24Å; V866-L940 HydrophobicContact CG1-CD1 4.45Å; V866-L940 HydrophobicContact CG2-CB 4.16Å; V866-K941 HydrophobicContact CG2-CG 3.7Å
867H95.3Very high94.5Very high17 Ų1710.6 Ų10.68%0.0795%0.047CC..Iπ-helixtrans-64.5-50.6-174.8-77.5-72.3000111.4D382 M385 K862 M863 H869 Y870 Y871D382-H867 IonicContact OD2-CD2 2.84Å; D382-H867 IonicContact OD2-CE1 3.24Å; D382-H867 IonicContact OD2-NE2 3.05Å; D382-H867 PolarHBondContact OD2-NE2 2.92Å; M385-H867 WeakPolarHBondContact CE-NE2 3.43Å; K862-H867 PolarHBondContact O-N 3.4Å; M863-H867 WeakPolarHBondContact O-CB 3.45Å; H867-H869 VanDerWaalsContact C-N 3.31Å; H867-H869 PolarHBondContact O-N 2.86Å; H867-Y870 PolarHBondContact O-N 2.94Å; H867-Y871 HydrophobicContact CB-CD2 4.21Å; H867-Y871 HydrophobicContact CB-CE2 3.86Å; H867-Y871 WeakPolarHBondContact O-CD2 3.02Å; H867-Y871 PolarHBondContact O-N 2.86Å
868G94.4Very high94.5Very high0 Ų010.6 Ų10.60%05%0.047CC..Iπ-helixtrans-57.3-43.5176.500000112.8G406 M863 L864 Y871 Y872G406-G868 VanDerWaalsContact CA-C 3.44Å; G406-G868 VanDerWaalsContact CA-O 3.24Å; G406-G868 WeakPolarHBondContact CA-O 3.48Å; M863-G868 PolarHBondContact O-N 3.39Å; L864-G868 WeakPolarHBondContact O-CA 3.43Å; L864-G868 PolarHBondContact O-N 2.88Å; G868-Y871 PolarHBondContact O-N 3.49Å; G868-Y872 WeakPolarHBondContact O-CB 3.44Å; G868-Y872 PolarHBondContact O-N 2.9Å
869H94.1Very high94.5Very high1 Ų18.3 Ų8.31%0.0054%0.038CC..Hα-helixtrans-61.7-46.8177.7-17391.3000112.6L864 L865 V866 H867 I873 H934 I950L864-H869 PolarHBondContact O-N 3.32Å; L865-H869 WeakPolarHBondContact O-CB 3.38Å; V866-H869 PolarHBondContact O-N 2.66Å; H867-H869 VanDerWaalsContact C-N 3.31Å; H867-H869 PolarHBondContact O-N 2.86Å; H869-I873 VanDerWaalsContact NE2-CD1 3.3Å; H869-I873 WeakPolarHBondContact NE2-CD1 3.35Å; H869-I873 PolarHBondContact O-N 3.44Å; H869-H934 AromaticContact CD2-CE1 3.32Å; H869-H934 PolarHBondContact CD2-CE1 2.86Å; H869-H934 AromaticContact CD2-NE2 3.57Å; H869-H934 AromaticContact NE2-CE1 3.19Å; H869-H934 PolarHBondContact NE2-CE1 3.04Å; H869-H934 AromaticContact NE2-NE2 2.94Å; H869-H934 PolarHBondContact NE2-NE2 2.75Å; H869-I950 HydrophobicContact CB-CD1 3.97Å; H869-I950 VanDerWaalsContact ND1-CD1 3.27Å; H869-I950 WeakPolarHBondContact ND1-CD1 3.4Å
870Y94.2Very high94.4Very high7 Ų78.1 Ų8.13%0.0274%0.037CC..Hα-helixtrans-64-48.1175.1-70.7-28.5000113V866 H867 Y872 I873 R874 Q933 H934 V935 I937 L940V866-Y870 HydrophobicContact CG1-CD2 4.01Å; V866-Y870 HydrophobicContact CG1-CE2 3.59Å; V866-Y870 WeakPolarHBondContact O-CD2 3.41Å; V866-Y870 PolarHBondContact O-N 2.89Å; H867-Y870 PolarHBondContact O-N 2.94Å; Y870-Y872 VanDerWaalsContact C-N 3.29Å; Y870-Y872 PolarHBondContact O-N 2.99Å; Y870-I873 PolarHBondContact O-N 3.4Å; Y870-R874 VanDerWaalsContact O-CB 3.23Å; Y870-R874 WeakPolarHBondContact O-CB 3.43Å; Y870-R874 VanDerWaalsContact O-CD 3.29Å; Y870-R874 WeakPolarHBondContact O-CD 3.5Å; Y870-R874 WeakPolarHBondContact O-CG 3.34Å; Y870-R874 PolarHBondContact O-N 3.07Å; Y870-Q933 HydrophobicContact CE1-CB 4.38Å; Y870-Q933 HydrophobicContact CE2-CG 4.32Å; Y870-H934 AromaticContact CD1-CE1 3.98Å; Y870-V935 VanDerWaalsContact CE1-O 3.25Å; Y870-V935 WeakPolarHBondContact CE1-O 3.22Å; Y870-V935 VanDerWaalsContact CZ-O 3.3Å; Y870-V935 PolarHBondContact OH-O 3.13Å; Y870-I937 HydrophobicContact CE2-CG1 3.91Å; Y870-I937 WeakPolarHBondContact OH-CG1 3.25Å; Y870-I937 PolarHBondContact OH-N 3.01Å; Y870-L940 HydrophobicContact CD1-CD1 4.03Å; Y870-L940 HydrophobicContact CE1-CD1 3.39Å; Y870-L940 HydrophobicContact CE2-CD1 4.39Å
871Y94.9Very high94.4Very high1 Ų18.3 Ų8.30%0.0044%0.037CC..Hα-helixtrans-61.5-39.3-177.4-72.1-52.8000112.2G375 I379 N402 H867 G868 I875G375-Y871 PolarHBondContact O-OH 3.37Å; I379-Y871 HydrophobicContact CD1-CE2 3.75Å; I379-Y871 HydrophobicContact CG1-CE2 3.81Å; N402-Y871 HydrophobicContact CB-CD1 4.17Å; N402-Y871 HydrophobicContact CB-CD2 3.84Å; N402-Y871 HydrophobicContact CB-CE2 4.26Å; N402-Y871 HydrophobicContact CB-CG 3.84Å; N402-Y871 WeakPolarHBondContact O-CB 3.41Å; H867-Y871 HydrophobicContact CB-CD2 4.21Å; H867-Y871 HydrophobicContact CB-CE2 3.86Å; H867-Y871 WeakPolarHBondContact O-CD2 3.02Å; H867-Y871 PolarHBondContact O-N 2.86Å; G868-Y871 PolarHBondContact O-N 3.49Å; Y871-I875 WeakPolarHBondContact O-CB 3.17Å; Y871-I875 VanDerWaalsContact O-CG2 3.28Å; Y871-I875 WeakPolarHBondContact O-CG2 3.49Å; Y871-I875 PolarHBondContact O-N 3.01Å; Y871-I875 VanDerWaalsContact O-N 3.08Å
872Y94.6Very high94.3Very high0 Ų06.5 Ų6.50%03%0.03CC..Hα-helixtrans-63.5-48.7176.1176.7-101.9000112.7V289 Q407 G868 Y870 I875 A876 I950 N953 S954 L955V289-Y872 HydrophobicContact CG2-CD2 4.36Å; V289-Y872 HydrophobicContact CG2-CE2 4.28Å; Q407-Y872 VanDerWaalsContact CD-CE2 3.46Å; Q407-Y872 HydrophobicContact CG-CD2 3.73Å; Q407-Y872 HydrophobicContact CG-CE2 4.01Å; Q407-Y872 HydrophobicContact CG-CG 4.48Å; Q407-Y872 VanDerWaalsContact NE2-CG 3.3Å; G868-Y872 WeakPolarHBondContact O-CB 3.44Å; G868-Y872 PolarHBondContact O-N 2.9Å; Y870-Y872 VanDerWaalsContact C-N 3.29Å; Y870-Y872 PolarHBondContact O-N 2.99Å; Y872-I875 WeakPolarHBondContact O-CG2 3.49Å; Y872-A876 WeakPolarHBondContact O-CB 3.44Å; Y872-A876 PolarHBondContact O-N 3.26Å; Y872-I950 HydrophobicContact CD1-CB 3.59Å; Y872-I950 HydrophobicContact CD1-CD1 4.21Å; Y872-I950 HydrophobicContact CD1-CG1 4.47Å; Y872-I950 HydrophobicContact CD1-CG2 3.93Å; Y872-I950 HydrophobicContact CE1-CB 3.82Å; Y872-I950 HydrophobicContact CE1-CG2 4.23Å; Y872-N953 VanDerWaalsContact CE2-OD1 3.25Å; Y872-N953 WeakPolarHBondContact CE2-OD1 3.42Å; Y872-N953 WeakPolarHBondContact OH-CA 3.04Å; Y872-N953 PolarHBondContact OH-O 3.35Å; Y872-N953 PolarHBondContact OH-OD1 3.44Å; Y872-S954 PolarHBondContact OH-N 2.92Å; Y872-L955 HydrophobicContact CD1-CD1 4.41Å; Y872-L955 HydrophobicContact CE1-CB 4.13Å; Y872-L955 HydrophobicContact CE1-CD1 3.91Å; Y872-L955 HydrophobicContact CE1-CG 4.1Å; Y872-L955 PolarHBondContact OH-N 2.89Å
873I93Very high94.3Very high11 Ų115.8 Ų5.86%0.0563%0.027CC..Hα-helixtrans-65.7-48.1-178.3-70.8171000110.6H869 Y870 I875 A876 E877 H934 I950 L955H869-I873 VanDerWaalsContact NE2-CD1 3.3Å; H869-I873 WeakPolarHBondContact NE2-CD1 3.35Å; H869-I873 PolarHBondContact O-N 3.44Å; Y870-I873 PolarHBondContact O-N 3.4Å; I873-I875 PolarHBondContact O-N 3.44Å; I873-A876 PolarHBondContact O-N 3.38Å; I873-E877 HydrophobicContact CG2-CG 4.41Å; I873-E877 WeakPolarHBondContact O-CG 3.37Å; I873-E877 PolarHBondContact O-N 3.39Å; I873-H934 WeakPolarHBondContact CD1-CE1 3.44Å; I873-H934 VanDerWaalsContact CD1-NE2 3.29Å; I873-H934 WeakPolarHBondContact CD1-NE2 3.34Å; I873-I950 HydrophobicContact CD1-CG2 3.76Å; I873-I950 HydrophobicContact CG1-CG2 3.86Å; I873-L955 HydrophobicContact CB-CD1 4.37Å; I873-L955 HydrophobicContact CG1-CD1 3.84Å; I873-L955 HydrophobicContact CG2-CD1 4.45Å
874R94.3Very high94.3Very high14 Ų145.8 Ų5.85%0.0533%0.027CC..Hα-helixtrans-54.1-49.6178.8-74.1164.9177.9-177.9-0.3111.8Y870 L878 S929 L930 E932Y870-R874 VanDerWaalsContact O-CB 3.23Å; Y870-R874 WeakPolarHBondContact O-CB 3.43Å; Y870-R874 VanDerWaalsContact O-CD 3.29Å; Y870-R874 WeakPolarHBondContact O-CD 3.5Å; Y870-R874 WeakPolarHBondContact O-CG 3.34Å; Y870-R874 PolarHBondContact O-N 3.07Å; R874-L878 VanDerWaalsContact O-CB 3.27Å; R874-L878 WeakPolarHBondContact O-CB 3.4Å; R874-L878 PolarHBondContact O-N 3.02Å; R874-S929 WeakPolarHBondContact CB-O 3.45Å; R874-S929 VanDerWaalsContact CD-O 3.27Å; R874-S929 WeakPolarHBondContact CD-O 3.28Å; R874-S929 WeakPolarHBondContact CG-O 3.47Å; R874-S929 PolarHBondContact O-OG 3.29Å; R874-L930 VanDerWaalsContact CZ-O 3.23Å; R874-L930 PolarHBondContact NH1-O 3.04Å; R874-L930 PolarHBondContact NH2-O 3.44Å; R874-E932 HydrophobicContact CG-CB 4.41Å; R874-E932 PolarHBondContact NE-O 3.2Å; R874-E932 PolarHBondContact NH2-O 2.98Å
875I94.1Very high94.2Very high0 Ų05.8 Ų5.80%03%0.027CC..Hα-helixtrans-71.4-36.5-179.1-158.5167.6000111.9V289 V368 K372 E403 Y871 Y872 I873 L878 V879V289-I875 HydrophobicContact CG1-CD1 4.14Å; V289-I875 HydrophobicContact CG1-CG1 4.24Å; V289-I875 HydrophobicContact CG1-CG2 4.11Å; V289-I875 HydrophobicContact CG2-CG2 4.17Å; V368-I875 HydrophobicContact CG1-CD1 3.85Å; V368-I875 HydrophobicContact CG1-CG1 4.46Å; K372-I875 VanDerWaalsContact CE-CD1 3.42Å; K372-I875 HydrophobicContact CG-CD1 4.43Å; E403-I875 HydrophobicContact CB-CB 4.45Å; E403-I875 HydrophobicContact CB-CD1 4.34Å; E403-I875 HydrophobicContact CB-CG2 3.6Å; E403-I875 HydrophobicContact CG-CD1 4.11Å; E403-I875 HydrophobicContact CG-CG2 4.03Å; Y871-I875 WeakPolarHBondContact O-CB 3.17Å; Y871-I875 VanDerWaalsContact O-CG2 3.28Å; Y871-I875 WeakPolarHBondContact O-CG2 3.49Å; Y871-I875 PolarHBondContact O-N 3.01Å; Y871-I875 VanDerWaalsContact O-N 3.08Å; Y872-I875 WeakPolarHBondContact O-CG2 3.49Å; I873-I875 PolarHBondContact O-N 3.44Å; I875-L878 PolarHBondContact O-N 2.89Å; I875-V879 HydrophobicContact CG1-CG2 4.49Å; I875-V879 VanDerWaalsContact O-CG2 3.31Å; I875-V879 WeakPolarHBondContact O-CG2 3.44Å; I875-V879 PolarHBondContact O-N 3.06Å
876A93.3Very high94.2Very high1 Ų15.6 Ų5.61%0.0083%0.026CC..Hα-helixtrans-64.8-47-179.700000110.9Y872 I873 V879 Q880 L955 L956Y872-A876 WeakPolarHBondContact O-CB 3.44Å; Y872-A876 PolarHBondContact O-N 3.26Å; I873-A876 PolarHBondContact O-N 3.38Å; A876-V879 PolarHBondContact O-N 3.23Å; A876-Q880 VanDerWaalsContact O-CG 3.23Å; A876-Q880 WeakPolarHBondContact O-CG 3.45Å; A876-Q880 PolarHBondContact O-N 2.8Å; A876-L955 HydrophobicContact CB-CB 3.7Å; A876-L955 HydrophobicContact CB-CD1 4.02Å; A876-L956 HydrophobicContact CB-CD1 4.26Å; A876-L956 HydrophobicContact CB-CD2 4.13Å; A876-L956 HydrophobicContact CB-CG 3.91Å
877E92.9Very high94.2Very high55 Ų555.8 Ų5.826%0.2573%0.027SC..Hα-helixtrans-64-42175.7-71.5174.6157.300111.7I873 V879 Q880 Y881 Y928I873-E877 HydrophobicContact CG2-CG 4.41Å; I873-E877 WeakPolarHBondContact O-CG 3.37Å; I873-E877 PolarHBondContact O-N 3.39Å; E877-V879 PolarHBondContact O-N 2.86Å; E877-Q880 PolarHBondContact O-N 3.22Å; E877-Y881 WeakPolarHBondContact O-CB 3.5Å; E877-Y881 PolarHBondContact O-N 2.97Å; E877-Y928 HydrophobicContact CB-CE1 4.24Å; E877-Y928 PolarHBondContact OE2-OH 3.46Å
878L94.6Very high94.2Very high0 Ų05 Ų50%02%0.023CC..Hα-helixtrans-55.5-51.1174.2179.5158.4000111.4T367 V368 Q371 R874 I875 Y881 F882 I925 S929T367-L878 HydrophobicContact CG2-CD1 4.14Å; V368-L878 HydrophobicContact CG2-CD2 3.47Å; V368-L878 VanDerWaalsContact CG2-CD2 3.47Å; Q371-L878 HydrophobicContact CB-CD1 4.35Å; Q371-L878 HydrophobicContact CG-CD1 4.27Å; R874-L878 VanDerWaalsContact O-CB 3.27Å; R874-L878 WeakPolarHBondContact O-CB 3.4Å; R874-L878 PolarHBondContact O-N 3.02Å; I875-L878 PolarHBondContact O-N 2.89Å; L878-Y881 PolarHBondContact O-N 3.46Å; L878-F882 HydrophobicContact CD2-CD2 3.64Å; L878-F882 HydrophobicContact CD2-CE2 3.93Å; L878-F882 HydrophobicContact CG-CD2 3.94Å; L878-F882 HydrophobicContact CG-CE2 4.05Å; L878-F882 WeakPolarHBondContact O-CB 3.33Å; L878-F882 WeakPolarHBondContact O-CD2 3.38Å; L878-F882 PolarHBondContact O-N 3.24Å; L878-I925 HydrophobicContact CB-CG1 4.43Å; L878-I925 HydrophobicContact CG-CG1 4.05Å; L878-S929 WeakPolarHBondContact CD1-OG 3.41Å
879V93.5Very high94.2Very high1 Ų15 Ų51%0.0062%0.023CC..Hα-helixtrans-62.8-46.1-178.4171.20000110.9M293 F296 V368 I875 A876 E877 F882 F883 L956M293-V879 HydrophobicContact CG-CG1 4.47Å; F296-V879 HydrophobicContact CD2-CG1 4.47Å; V368-V879 HydrophobicContact CG2-CG2 4.33Å; I875-V879 HydrophobicContact CG1-CG2 4.49Å; I875-V879 VanDerWaalsContact O-CG2 3.31Å; I875-V879 WeakPolarHBondContact O-CG2 3.44Å; I875-V879 PolarHBondContact O-N 3.06Å; A876-V879 PolarHBondContact O-N 3.23Å; E877-V879 PolarHBondContact O-N 2.86Å; V879-F882 PolarHBondContact O-N 3.15Å; V879-F883 HydrophobicContact CG1-CD2 4.05Å; V879-F883 HydrophobicContact CG1-CE2 3.84Å; V879-F883 VanDerWaalsContact O-CD2 3.27Å; V879-F883 WeakPolarHBondContact O-CD2 3.3Å; V879-F883 PolarHBondContact O-N 3.04Å; V879-L956 HydrophobicContact CB-CD2 4.25Å; V879-L956 HydrophobicContact CG1-CD2 4.21Å
880Q93.8Very high94.2Very high4 Ų44.9 Ų4.92%0.0192%0.023CC..Hα-helixtrans-62.2-45.9179-65.3-70.716.400111.7A876 E877 F882 F883 Y884 L955 L956 W964A876-Q880 VanDerWaalsContact O-CG 3.23Å; A876-Q880 WeakPolarHBondContact O-CG 3.45Å; A876-Q880 PolarHBondContact O-N 2.8Å; E877-Q880 PolarHBondContact O-N 3.22Å; Q880-F882 VanDerWaalsContact C-N 3.34Å; Q880-F882 PolarHBondContact O-N 3.17Å; Q880-F883 PolarHBondContact O-N 3.47Å; Q880-Y884 WeakPolarHBondContact O-CB 3.22Å; Q880-Y884 PolarHBondContact O-N 2.88Å; Q880-L955 PolarHBondContact NE2-O 3.38Å; Q880-L956 HydrophobicContact CG-CD2 4.03Å; Q880-W964 HydrophobicContact CB-CD2 4.12Å; Q880-W964 HydrophobicContact CB-CG 4.05Å
881Y94.9Very high94.3Very high4 Ų46 Ų62%0.0163%0.028CC..Hα-helixtrans-62.6-39.6178.1178.1-92.1000112.2E877 L878 F883 Y884 K885 I925 V1020 L1024E877-Y881 WeakPolarHBondContact O-CB 3.5Å; E877-Y881 PolarHBondContact O-N 2.97Å; L878-Y881 PolarHBondContact O-N 3.46Å; Y881-F883 VanDerWaalsContact C-N 3.34Å; Y881-F883 PolarHBondContact O-N 2.86Å; Y881-Y884 HydrophobicContact CD2-CD1 4.25Å; Y881-Y884 HydrophobicContact CE2-CD1 4.45Å; Y881-Y884 PolarHBondContact O-N 2.98Å; Y881-K885 HydrophobicContact CD1-CD 3.92Å; Y881-K885 HydrophobicContact CE1-CB 4.39Å; Y881-K885 HydrophobicContact CE1-CD 3.54Å; Y881-K885 WeakPolarHBondContact O-CB 3.17Å; Y881-K885 PolarHBondContact O-N 2.87Å; Y881-I925 HydrophobicContact CD1-CB 3.93Å; Y881-I925 HydrophobicContact CD1-CD1 3.47Å; Y881-I925 VanDerWaalsContact CD1-CD1 3.47Å; Y881-I925 HydrophobicContact CD1-CG1 3.56Å; Y881-I925 HydrophobicContact CE1-CB 3.86Å; Y881-I925 HydrophobicContact CE1-CD1 4.07Å; Y881-I925 HydrophobicContact CE1-CG1 4.04Å; Y881-I925 HydrophobicContact CE1-CG2 4.39Å; Y881-I925 HydrophobicContact CG-CD1 3.79Å; Y881-I925 HydrophobicContact CG-CG1 4.35Å; Y881-V1020 WeakPolarHBondContact CE2-O 3.47Å; Y881-V1020 PolarHBondContact OH-O 3.06Å; Y881-L1024 HydrophobicContact CD2-CD1 4.35Å; Y881-L1024 HydrophobicContact CE2-CB 3.84Å; Y881-L1024 HydrophobicContact CE2-CD1 4.32Å
882F93.6Very high94.4Very high0 Ų06 Ų60%03%0.027CC..Hα-helixtrans-61.7-39.9177.5-103.5-84.8000112.7P361 M364 T367 L878 V879 Q880 K885 N886 I925P361-F882 HydrophobicContact CB-CD1 4.03Å; M364-F882 HydrophobicContact CB-CB 4.41Å; M364-F882 HydrophobicContact CB-CD1 3.86Å; M364-F882 HydrophobicContact CB-CE1 4.32Å; M364-F882 HydrophobicContact CB-CG 4.12Å; M364-F882 HydrophobicContact CG-CB 4.17Å; M364-F882 HydrophobicContact CG-CD1 4.42Å; M364-F882 HydrophobicContact CG-CG 4.18Å; M364-F882 HydrophobicContact SD-CB 4.43Å; T367-F882 HydrophobicContact CG2-CE2 3.75Å; T367-F882 HydrophobicContact CG2-CZ 3.85Å; T367-F882 WeakPolarHBondContact OG1-CZ 3.42Å; L878-F882 HydrophobicContact CD2-CD2 3.64Å; L878-F882 HydrophobicContact CD2-CE2 3.93Å; L878-F882 HydrophobicContact CG-CD2 3.94Å; L878-F882 HydrophobicContact CG-CE2 4.05Å; L878-F882 WeakPolarHBondContact O-CB 3.33Å; L878-F882 WeakPolarHBondContact O-CD2 3.38Å; L878-F882 PolarHBondContact O-N 3.24Å; V879-F882 PolarHBondContact O-N 3.15Å; Q880-F882 VanDerWaalsContact C-N 3.34Å; Q880-F882 PolarHBondContact O-N 3.17Å; F882-K885 HydrophobicContact CD1-CD 4.5Å; F882-K885 VanDerWaalsContact CE1-CE 3.45Å; F882-N886 PolarHBondContact O-N 3.12Å; F882-N886 PolarHBondContact O-ND2 2.91Å; F882-I925 HydrophobicContact CD2-CG1 4.22Å; F882-I925 HydrophobicContact CD2-CG2 4.27Å; F882-I925 HydrophobicContact CE2-CB 4.41Å; F882-I925 HydrophobicContact CE2-CG1 4.06Å; F882-I925 HydrophobicContact CE2-CG2 3.45Å; F882-I925 VanDerWaalsContact CE2-CG2 3.45Å; F882-I925 HydrophobicContact CZ-CG2 3.82Å
883F93.5Very high94.3Very high1 Ų16 Ų60%0.0043%0.027CC..Hα-helixtrans-70.9-45.3174.8-77.1-62.7000111.6F296 Y300 P361 M364 V879 Q880 Y881 K885 N886 V887 F961F296-F883 HydrophobicContact CB-CE2 3.82Å; F296-F883 HydrophobicContact CB-CZ 3.87Å; F296-F883 HydrophobicContact CD2-CD2 4.42Å; F296-F883 HydrophobicContact CD2-CE2 4.01Å; F296-F883 HydrophobicContact CG-CE2 4.42Å; Y300-F883 AromaticContact CD2-CD1 3.4Å; Y300-F883 HydrophobicContact CD2-CD1 3.4Å; Y300-F883 VanDerWaalsContact CD2-CD1 3.4Å; Y300-F883 AromaticContact CD2-CE1 3.45Å; Y300-F883 HydrophobicContact CD2-CE1 3.45Å; Y300-F883 VanDerWaalsContact CD2-CE1 3.45Å; Y300-F883 HydrophobicContact CD2-CG 4.24Å; Y300-F883 HydrophobicContact CD2-CZ 4.32Å; Y300-F883 HydrophobicContact CE2-CB 3.9Å; Y300-F883 AromaticContact CE2-CD1 3.14Å; Y300-F883 HydrophobicContact CE2-CD1 3.14Å; Y300-F883 HydrophobicContact CE2-CD2 4.47Å; Y300-F883 AromaticContact CE2-CE1 3.7Å; Y300-F883 HydrophobicContact CE2-CE1 3.7Å; Y300-F883 AromaticContact CE2-CG 3.6Å; Y300-F883 HydrophobicContact CE2-CG 3.6Å; Y300-F883 HydrophobicContact CG-CD1 4.2Å; Y300-F883 HydrophobicContact CG-CE1 4.22Å; Y300-F883 AromaticContact CZ-CD1 3.79Å; P361-F883 HydrophobicContact CG-CD1 4.27Å; P361-F883 HydrophobicContact CG-CE1 4.1Å; M364-F883 HydrophobicContact CE-CZ 4.06Å; M364-F883 HydrophobicContact SD-CD2 4.5Å; M364-F883 HydrophobicContact SD-CE2 3.85Å; M364-F883 HydrophobicContact SD-CZ 3.89Å; V879-F883 HydrophobicContact CG1-CD2 4.05Å; V879-F883 HydrophobicContact CG1-CE2 3.84Å; V879-F883 VanDerWaalsContact O-CD2 3.27Å; V879-F883 WeakPolarHBondContact O-CD2 3.3Å; V879-F883 PolarHBondContact O-N 3.04Å; Q880-F883 PolarHBondContact O-N 3.47Å; Y881-F883 VanDerWaalsContact C-N 3.34Å; Y881-F883 PolarHBondContact O-N 2.86Å; F883-K885 PolarHBondContact O-N 2.69Å; F883-N886 PolarHBondContact O-N 3.46Å; F883-V887 WeakPolarHBondContact O-CG2 3.46Å; F883-V887 PolarHBondContact O-N 3.04Å; F883-F961 HydrophobicContact CD2-CE2 4.22Å; F883-F961 HydrophobicContact CG-CE2 4.37Å
884Y95.1Very high94.4Very high0 Ų06.4 Ų6.40%03%0.029CC..Hα-helixtrans-53.9-54.1176.5161.5-100.5000112.3Q880 Y881 N886 V887 C888 W964 L967 D971 V1020 K1023Q880-Y884 WeakPolarHBondContact O-CB 3.22Å; Q880-Y884 PolarHBondContact O-N 2.88Å; Y881-Y884 HydrophobicContact CD2-CD1 4.25Å; Y881-Y884 HydrophobicContact CE2-CD1 4.45Å; Y881-Y884 PolarHBondContact O-N 2.98Å; Y884-N886 VanDerWaalsContact C-N 3.26Å; Y884-N886 PolarHBondContact O-N 3.27Å; Y884-V887 WeakPolarHBondContact O-CB 3.09Å; Y884-V887 PolarHBondContact O-N 3.1Å; Y884-V887 VanDerWaalsContact O-N 3.13Å; Y884-C888 WeakPolarHBondContact CE2-SG 3.45Å; Y884-C888 VanDerWaalsContact CZ-SG 3.57Å; Y884-C888 PolarHBondContact O-N 3.32Å; Y884-C888 PolarHBondContact O-SG 2.72Å; Y884-C888 VanDerWaalsContact O-SG 3.35Å; Y884-W964 HydrophobicContact CD1-CE3 4.37Å; Y884-W964 HydrophobicContact CD1-CZ3 4.28Å; Y884-W964 HydrophobicContact CD2-CE3 4.2Å; Y884-W964 AromaticContact CG-CE3 3.84Å; Y884-W964 HydrophobicContact CG-CE3 3.84Å; Y884-W964 HydrophobicContact CG-CZ3 4.21Å; Y884-L967 HydrophobicContact CD2-CB 4.48Å; Y884-L967 HydrophobicContact CD2-CD2 4.43Å; Y884-L967 HydrophobicContact CD2-CG 4.39Å; Y884-L967 HydrophobicContact CE2-CB 4.39Å; Y884-L967 HydrophobicContact CE2-CD2 4.05Å; Y884-L967 HydrophobicContact CE2-CG 3.88Å; Y884-D971 VanDerWaalsContact CE2-OD2 3.27Å; Y884-D971 WeakPolarHBondContact CE2-OD2 3.45Å; Y884-D971 VanDerWaalsContact CZ-OD2 3.3Å; Y884-D971 PolarHBondContact OH-OD2 3.45Å; Y884-V1020 HydrophobicContact CE1-CG1 4.27Å; Y884-K1023 HydrophobicContact CE1-CB 4.39Å; Y884-K1023 HydrophobicContact CE1-CG 3.89Å
885K94.7Very high94.5Very high0 Ų06.7 Ų6.70%03%0.031CC..Hα-helixtrans-61.4-34.8-176.882.7-168.9-175.980.80112.4Y881 F882 F883 C888 F889 Y916 N917 T921 V1020Y881-K885 HydrophobicContact CD1-CD 3.92Å; Y881-K885 HydrophobicContact CE1-CB 4.39Å; Y881-K885 HydrophobicContact CE1-CD 3.54Å; Y881-K885 WeakPolarHBondContact O-CB 3.17Å; Y881-K885 PolarHBondContact O-N 2.87Å; F882-K885 HydrophobicContact CD1-CD 4.5Å; F882-K885 VanDerWaalsContact CE1-CE 3.45Å; F883-K885 PolarHBondContact O-N 2.69Å; K885-C888 WeakPolarHBondContact O-CB 3.33Å; K885-F889 WeakPolarHBondContact O-CB 3.36Å; K885-F889 PolarHBondContact O-N 3.46Å; K885-Y916 PolarHBondContact O-OH 3.4Å; K885-Y916 VanDerWaalsContact O-OH 3.04Å; K885-N917 PolarHBondContact NZ-OD1 2.74Å; K885-T921 PolarHBondContact NZ-OG1 2.57Å; K885-V1020 HydrophobicContact CB-CB 4.39Å; K885-V1020 HydrophobicContact CB-CG1 4.21Å
886N93.8Very high94.5Very high0 Ų08.2 Ų8.20%04%0.037CC..Hα-helixtrans-76.4-32.4178.6-79-82.8000112.8Y358 P361 F882 F883 Y884 F889 I890 N917Y358-N886 PolarHBondContact O-OD1 3.48Å; P361-N886 WeakPolarHBondContact CB-ND2 3.24Å; F882-N886 PolarHBondContact O-N 3.12Å; F882-N886 PolarHBondContact O-ND2 2.91Å; F883-N886 PolarHBondContact O-N 3.46Å; Y884-N886 VanDerWaalsContact C-N 3.26Å; Y884-N886 PolarHBondContact O-N 3.27Å; N886-F889 PolarHBondContact O-N 3.47Å; N886-I890 VanDerWaalsContact O-CG2 3.25Å; N886-I890 WeakPolarHBondContact O-CG2 3.23Å; N886-I890 PolarHBondContact O-N 2.81Å; N886-N917 PolarHBondContact ND2-OD1 3.47Å; N886-N917 PolarHBondContact OD1-ND2 3.37Å; N886-N917 PolarHBondContact OD1-OD1 3.47Å; N886-N917 VanDerWaalsContact OD1-OD1 3.13Å
887V95.3Very high94.6Very high4 Ų48.2 Ų8.22%0.0244%0.037CC..Hα-helixtrans-62.1-50.1168.7173.40000110.2Y300 F883 Y884 F889 I890 F891 T965 V969Y300-V887 HydrophobicContact CE1-CG2 3.52Å; Y300-V887 WeakPolarHBondContact OH-CG2 3.18Å; F883-V887 WeakPolarHBondContact O-CG2 3.46Å; F883-V887 PolarHBondContact O-N 3.04Å; Y884-V887 WeakPolarHBondContact O-CB 3.09Å; Y884-V887 PolarHBondContact O-N 3.1Å; Y884-V887 VanDerWaalsContact O-N 3.13Å; V887-F889 PolarHBondContact O-N 2.56Å; V887-I890 PolarHBondContact O-N 2.93Å; V887-F891 WeakPolarHBondContact O-CB 3.49Å; V887-F891 PolarHBondContact O-N 3.35Å; V887-T965 HydrophobicContact CG2-CG2 4.45Å; V887-V969 HydrophobicContact CG1-CG2 3.77Å
888C95.6Very high94.6Very high0 Ų09.6 Ų9.60%04%0.043CC..Hα-helixtrans-53.8-39.2176.3-70.20000112.2Y884 K885 P892 G968 F975 L1016 V1020Y884-C888 WeakPolarHBondContact CE2-SG 3.45Å; Y884-C888 VanDerWaalsContact CZ-SG 3.57Å; Y884-C888 PolarHBondContact O-N 3.32Å; Y884-C888 PolarHBondContact O-SG 2.72Å; Y884-C888 VanDerWaalsContact O-SG 3.35Å; K885-C888 WeakPolarHBondContact O-CB 3.33Å; C888-P892 WeakPolarHBondContact O-CD 3.3Å; C888-P892 WeakPolarHBondContact O-CG 3.41Å; C888-G968 WeakPolarHBondContact SG-CA 3.31Å; C888-F975 HydrophobicContact CB-CE2 4.1Å; C888-L1016 HydrophobicContact CB-CD1 3.54Å; C888-V1020 HydrophobicContact CB-CG1 4.23Å
889F94.6Very high94.4Very high0 Ų014.1 Ų14.10%06%0.062CC..Hα-helixtrans-72.7-49.6-179172.8-130.9000113.5Y358 K885 N886 V887 P892 Y908 L913 Y916 F1013 L1016Y358-F889 HydrophobicContact CD1-CE1 4.37Å; Y358-F889 AromaticContact CG-CE1 3.97Å; Y358-F889 HydrophobicContact CG-CE1 3.97Å; K885-F889 WeakPolarHBondContact O-CB 3.36Å; K885-F889 PolarHBondContact O-N 3.46Å; N886-F889 PolarHBondContact O-N 3.47Å; V887-F889 PolarHBondContact O-N 2.56Å; F889-P892 WeakPolarHBondContact O-CD 3.48Å; F889-Y908 HydrophobicContact CD2-CD2 4.15Å; F889-Y908 AromaticContact CD2-CE2 3.77Å; F889-Y908 HydrophobicContact CD2-CE2 3.77Å; F889-Y908 AromaticContact CE2-CD2 3.51Å; F889-Y908 HydrophobicContact CE2-CD2 3.51Å; F889-Y908 AromaticContact CE2-CE2 3.62Å; F889-Y908 HydrophobicContact CE2-CE2 3.62Å; F889-Y908 HydrophobicContact CE2-CG 4.27Å; F889-Y908 HydrophobicContact CZ-CD2 4.27Å; F889-Y908 WeakPolarHBondContact O-CE2 3.47Å; F889-Y908 PolarHBondContact O-OH 2.88Å; F889-L913 HydrophobicContact CE1-CD2 4.41Å; F889-L913 HydrophobicContact CE2-CD2 4.14Å; F889-L913 HydrophobicContact CZ-CD2 3.51Å; F889-Y916 HydrophobicContact CB-CD1 4.25Å; F889-Y916 HydrophobicContact CB-CE1 3.66Å; F889-Y916 AromaticContact CD1-CD1 3.71Å; F889-Y916 HydrophobicContact CD1-CD1 3.71Å; F889-Y916 AromaticContact CD1-CE1 3.91Å; F889-Y916 HydrophobicContact CD1-CE1 3.91Å; F889-Y916 HydrophobicContact CD2-CD1 4.21Å; F889-Y916 HydrophobicContact CD2-CE1 4.38Å; F889-Y916 HydrophobicContact CD2-CG 4.36Å; F889-Y916 HydrophobicContact CE1-CD1 4.01Å; F889-Y916 HydrophobicContact CE2-CD1 4.48Å; F889-Y916 HydrophobicContact CE2-CG 4.41Å; F889-Y916 AromaticContact CG-CD1 3.8Å; F889-Y916 HydrophobicContact CG-CD1 3.8Å; F889-Y916 AromaticContact CG-CE1 3.73Å; F889-Y916 HydrophobicContact CG-CE1 3.73Å; F889-Y916 HydrophobicContact CG-CG 4.4Å; F889-Y916 HydrophobicContact CZ-CD1 4.37Å; F889-Y916 HydrophobicContact CZ-CG 4.5Å; F889-F1013 HydrophobicContact CD2-CE2 4.33Å; F889-F1013 HydrophobicContact CE2-CD2 4.27Å; F889-F1013 AromaticContact CE2-CE2 3.85Å; F889-F1013 HydrophobicContact CE2-CE2 3.85Å; F889-L1016 HydrophobicContact CB-CD2 3.91Å; F889-L1016 HydrophobicContact CD2-CD2 3.54Å; F889-L1016 HydrophobicContact CG-CD2 4.17Å
890I94.8Very high94.2Very high0 Ų015.4 Ų15.40%07%0.071CC..Hα-helixtrans-89.5-21.9-170.3-161.559.7000114.1F356 I359 N886 V887 Q893 F894F356-I890 HydrophobicContact CB-CG1 4.3Å; F356-I890 HydrophobicContact CD1-CD1 4.14Å; F356-I890 HydrophobicContact CD1-CG1 4.07Å; I359-I890 HydrophobicContact CB-CG2 3.57Å; I359-I890 HydrophobicContact CD1-CG2 4.14Å; I359-I890 HydrophobicContact CG1-CG2 3.6Å; N886-I890 VanDerWaalsContact O-CG2 3.25Å; N886-I890 WeakPolarHBondContact O-CG2 3.23Å; N886-I890 PolarHBondContact O-N 2.81Å; V887-I890 PolarHBondContact O-N 2.93Å; I890-Q893 HydrophobicContact CD1-CB 4.06Å; I890-Q893 HydrophobicContact CD1-CG 4.28Å; I890-Q893 WeakPolarHBondContact O-CB 3.45Å; I890-Q893 PolarHBondContact O-N 3.22Å; I890-F894 PolarHBondContact O-N 2.94Å; I890-F894 VanDerWaalsContact O-N 3.1Å
891F95.6Very high94Very high30 Ų3016.4 Ų16.413%0.1328%0.083CC..Hα-helixtrans-67.3-37.2-176.6-165.8-87.8000113.4V887 Q893 F894 L895 V969 A972 V973V887-F891 WeakPolarHBondContact O-CB 3.49Å; V887-F891 PolarHBondContact O-N 3.35Å; F891-Q893 VanDerWaalsContact C-N 3.27Å; F891-Q893 PolarHBondContact O-N 3.14Å; F891-F894 HydrophobicContact CD2-CD1 4.43Å; F891-F894 HydrophobicContact CE2-CD1 4.14Å; F891-F894 HydrophobicContact CE2-CE1 4.46Å; F891-F894 HydrophobicContact CZ-CD1 4.31Å; F891-F894 WeakPolarHBondContact O-CB 3.18Å; F891-F894 PolarHBondContact O-N 3.35Å; F891-F894 VanDerWaalsContact O-N 3.13Å; F891-L895 HydrophobicContact CD1-CD1 3.84Å; F891-L895 HydrophobicContact CD1-CG 4Å; F891-L895 HydrophobicContact CE1-CD1 3.77Å; F891-L895 HydrophobicContact CE1-CD2 3.94Å; F891-L895 HydrophobicContact CE1-CG 3.83Å; F891-L895 HydrophobicContact CZ-CD2 4.47Å; F891-L895 PolarHBondContact O-N 3.27Å; F891-V969 HydrophobicContact CD1-CG1 4.49Å; F891-V969 HydrophobicContact CD2-CG2 4.22Å; F891-V969 HydrophobicContact CE1-CG1 3.98Å; F891-V969 HydrophobicContact CE2-CG1 4.12Å; F891-V969 HydrophobicContact CE2-CG2 4.24Å; F891-V969 HydrophobicContact CZ-CG1 3.79Å; F891-A972 HydrophobicContact CB-CB 3.6Å; F891-A972 HydrophobicContact CD1-CB 3.71Å; F891-A972 HydrophobicContact CG-CB 4.02Å; F891-V973 HydrophobicContact CD1-CG2 4.36Å; F891-V973 HydrophobicContact CE1-CG2 3.75Å
892P95.8Very high93.8Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-59.8-36.2170-24.636.2000112.8C888 F889 F894 L895 Y896 L907 Y908 A972 F976 I1012C888-P892 WeakPolarHBondContact O-CD 3.3Å; C888-P892 WeakPolarHBondContact O-CG 3.41Å; F889-P892 WeakPolarHBondContact O-CD 3.48Å; P892-F894 VanDerWaalsContact C-N 3.32Å; P892-F894 PolarHBondContact O-N 3.42Å; P892-L895 PolarHBondContact O-N 3.09Å; P892-Y896 WeakPolarHBondContact O-CB 3.44Å; P892-Y896 PolarHBondContact O-N 3.15Å; P892-L907 HydrophobicContact CB-CD2 4Å; P892-Y908 WeakPolarHBondContact CB-OH 3.46Å; P892-A972 HydrophobicContact CG-CB 3.94Å; P892-F976 HydrophobicContact CB-CB 4.16Å; P892-F976 HydrophobicContact CB-CD2 4.23Å; P892-I1012 HydrophobicContact CB-CG2 4.07Å; P892-I1012 HydrophobicContact CG-CG2 4.37Å
893Q94.2Very high93.6Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-68.2-31.9176.5-173.9167.2-15.600112.4L355 F356 I890 F891 Q897 L907 Y908L355-Q893 HydrophobicContact CG-CG 4.44Å; L355-Q893 VanDerWaalsContact CG-NE2 3.33Å; L355-Q893 PolarHBondContact O-NE2 3.3Å; F356-Q893 HydrophobicContact CE1-CG 4.37Å; I890-Q893 HydrophobicContact CD1-CB 4.06Å; I890-Q893 HydrophobicContact CD1-CG 4.28Å; I890-Q893 WeakPolarHBondContact O-CB 3.45Å; I890-Q893 PolarHBondContact O-N 3.22Å; F891-Q893 VanDerWaalsContact C-N 3.27Å; F891-Q893 PolarHBondContact O-N 3.14Å; Q893-Q897 WeakPolarHBondContact O-CG 3.39Å; Q893-Q897 PolarHBondContact O-NE2 3.4Å; Q893-Q897 VanDerWaalsContact O-NE2 3.09Å; Q893-L907 HydrophobicContact CB-CB 4.44Å; Q893-L907 HydrophobicContact CG-CB 4.4Å; Q893-Y908 HydrophobicContact CB-CE2 4.37Å
894F95.1Very high93.4Very high21 Ų2120.9 Ų20.99%0.09211%0.111CC..Hα-helixtrans-66.6-47.4169.2167.2-102.4000111.6K307 N311 F356 I890 F891 P892 Y896 Q897 F898K307-F894 HydrophobicContact CB-CD2 4Å; K307-F894 HydrophobicContact CB-CE2 4.11Å; K307-F894 HydrophobicContact CD-CB 4.5Å; K307-F894 HydrophobicContact CD-CD2 4.19Å; K307-F894 HydrophobicContact CD-CG 4.29Å; K307-F894 HydrophobicContact CG-CD2 3.95Å; K307-F894 HydrophobicContact CG-CE2 4.04Å; K307-F894 HydrophobicContact CG-CG 4.44Å; N311-F894 WeakPolarHBondContact ND2-CD2 3.24Å; N311-F894 WeakPolarHBondContact OD1-CE2 3.36Å; F356-F894 HydrophobicContact CE1-CB 3.99Å; F356-F894 HydrophobicContact CE2-CD2 4.16Å; F356-F894 HydrophobicContact CZ-CB 4.14Å; F356-F894 HydrophobicContact CZ-CD2 4.01Å; I890-F894 PolarHBondContact O-N 2.94Å; I890-F894 VanDerWaalsContact O-N 3.1Å; F891-F894 HydrophobicContact CD2-CD1 4.43Å; F891-F894 HydrophobicContact CE2-CD1 4.14Å; F891-F894 HydrophobicContact CE2-CE1 4.46Å; F891-F894 HydrophobicContact CZ-CD1 4.31Å; F891-F894 WeakPolarHBondContact O-CB 3.18Å; F891-F894 PolarHBondContact O-N 3.35Å; F891-F894 VanDerWaalsContact O-N 3.13Å; P892-F894 VanDerWaalsContact C-N 3.32Å; P892-F894 PolarHBondContact O-N 3.42Å; F894-Y896 VanDerWaalsContact C-N 3.31Å; F894-Y896 PolarHBondContact O-N 3.5Å; F894-Q897 WeakPolarHBondContact O-CB 3.32Å; F894-Q897 PolarHBondContact O-N 2.98Å; F894-Q897 VanDerWaalsContact O-N 3.17Å; F894-F898 HydrophobicContact CD1-CE2 4.19Å; F894-F898 AromaticContact CE1-CE2 3.68Å; F894-F898 HydrophobicContact CE1-CE2 3.68Å; F894-F898 HydrophobicContact CE1-CZ 4.12Å; F894-F898 HydrophobicContact CE2-CE2 4.03Å; F894-F898 HydrophobicContact CE2-CZ 4.31Å; F894-F898 AromaticContact CZ-CE2 3.59Å; F894-F898 HydrophobicContact CZ-CE2 3.59Å; F894-F898 AromaticContact CZ-CZ 3.72Å; F894-F898 HydrophobicContact CZ-CZ 3.72Å; F894-F898 WeakPolarHBondContact O-CD2 3.36Å
895L94.8Very high93.3Very high19 Ų1923.6 Ų23.610%0.09912%0.123CC..Hα-helixtrans-61.1-39.1177-67.2174000112F891 P892 Q897 F898 F899 V973 F976 F977F891-L895 HydrophobicContact CD1-CD1 3.84Å; F891-L895 HydrophobicContact CD1-CG 4Å; F891-L895 HydrophobicContact CE1-CD1 3.77Å; F891-L895 HydrophobicContact CE1-CD2 3.94Å; F891-L895 HydrophobicContact CE1-CG 3.83Å; F891-L895 HydrophobicContact CZ-CD2 4.47Å; F891-L895 PolarHBondContact O-N 3.27Å; P892-L895 PolarHBondContact O-N 3.09Å; L895-Q897 PolarHBondContact O-N 3.31Å; L895-Q897 VanDerWaalsContact O-N 3.15Å; L895-F898 WeakPolarHBondContact O-CB 3.25Å; L895-F898 WeakPolarHBondContact O-CD2 3.19Å; L895-F898 PolarHBondContact O-N 3.49Å; L895-F898 VanDerWaalsContact O-N 3.12Å; L895-F899 VanDerWaalsContact O-CD2 3.27Å; L895-F899 WeakPolarHBondContact O-CD2 3.29Å; L895-V973 HydrophobicContact CD1-CG2 4.33Å; L895-F976 HydrophobicContact CB-CD1 3.79Å; L895-F976 HydrophobicContact CB-CD2 4.1Å; L895-F976 HydrophobicContact CB-CE1 4.02Å; L895-F976 HydrophobicContact CB-CE2 4.3Å; L895-F976 HydrophobicContact CB-CG 3.84Å; L895-F976 HydrophobicContact CB-CZ 4.27Å; L895-F976 HydrophobicContact CD1-CB 3.74Å; L895-F976 HydrophobicContact CD1-CD1 3.95Å; L895-F976 HydrophobicContact CD1-CG 3.9Å; L895-F977 HydrophobicContact CD1-CD2 4.45Å; L895-F977 HydrophobicContact CD1-CE2 4.05Å; L895-F977 HydrophobicContact CD2-CE2 4.38Å
896Y94.8Very high93.1Very high33 Ų3324.1 Ų24.113%0.12913%0.127CC..Hα-helixtrans-58.9-28177.9-171.7-115.5000113.2P892 F894 F898 F899 C900 Q905 L907 F976 F1008P892-Y896 WeakPolarHBondContact O-CB 3.44Å; P892-Y896 PolarHBondContact O-N 3.15Å; F894-Y896 VanDerWaalsContact C-N 3.31Å; F894-Y896 PolarHBondContact O-N 3.5Å; Y896-F898 PolarHBondContact O-N 3.47Å; Y896-F899 PolarHBondContact O-N 2.89Å; Y896-C900 HydrophobicContact CE1-CB 4.24Å; Y896-C900 PolarHBondContact O-N 3.45Å; Y896-Q905 HydrophobicContact CE1-CB 4.23Å; Y896-Q905 HydrophobicContact CE1-CG 3.85Å; Y896-L907 HydrophobicContact CD1-CB 4.03Å; Y896-L907 HydrophobicContact CD1-CD1 4.25Å; Y896-L907 HydrophobicContact CD2-CD1 3.87Å; Y896-L907 HydrophobicContact CE1-CD1 4.49Å; Y896-L907 HydrophobicContact CE2-CD1 4.11Å; Y896-L907 HydrophobicContact CG-CB 4.21Å; Y896-L907 HydrophobicContact CG-CD1 3.93Å; Y896-F976 AromaticContact CD2-CE2 3.96Å; Y896-F976 HydrophobicContact CD2-CE2 3.96Å; Y896-F976 HydrophobicContact CD2-CZ 4.35Å; Y896-F976 HydrophobicContact CG-CE2 4.35Å; Y896-F1008 HydrophobicContact CD2-CE1 4.17Å; Y896-F1008 HydrophobicContact CE2-CD1 4.38Å; Y896-F1008 HydrophobicContact CE2-CE1 4.31Å
897Q94.8Very high93.1Very high0 Ų024.2 Ų24.20%013%0.127CC..THydrogen-bonded Turntrans-64.1-28.2179.2-58.5-45.7-62.200113.5F352 L355 F356 Q893 F894 L895 F899 C900 F902 Q904 Q905F352-Q897 HydrophobicContact CE1-CG 4.18Å; L355-Q897 HydrophobicContact CD2-CG 4.33Å; F356-Q897 HydrophobicContact CE1-CG 4.31Å; F356-Q897 HydrophobicContact CZ-CG 3.81Å; Q893-Q897 WeakPolarHBondContact O-CG 3.39Å; Q893-Q897 PolarHBondContact O-NE2 3.4Å; Q893-Q897 VanDerWaalsContact O-NE2 3.09Å; F894-Q897 WeakPolarHBondContact O-CB 3.32Å; F894-Q897 PolarHBondContact O-N 2.98Å; F894-Q897 VanDerWaalsContact O-N 3.17Å; L895-Q897 PolarHBondContact O-N 3.31Å; L895-Q897 VanDerWaalsContact O-N 3.15Å; Q897-F899 PolarHBondContact O-N 2.69Å; Q897-C900 VanDerWaalsContact CA-SG 3.59Å; Q897-C900 PolarHBondContact OE1-SG 2.89Å; Q897-C900 VanDerWaalsContact OE1-SG 3.39Å; Q897-F902 HydrophobicContact CB-CD1 4.07Å; Q897-F902 WeakPolarHBondContact O-CD1 3.18Å; Q897-F902 PolarHBondContact O-N 2.88Å; Q897-Q904 VanDerWaalsContact OE1-CA 3.22Å; Q897-Q905 PolarHBondContact NE2-O 2.97Å
898F93.8Very high93Very high85 Ų8524.1 Ų24.137%0.37313%0.126SC..THydrogen-bonded Turntrans-67.5-24.2175.5-65.8-93.8000112.3L314 F894 L895 Y896 F902L314-F898 HydrophobicContact CD1-CD1 4.36Å; L314-F898 HydrophobicContact CD1-CE1 3.54Å; L314-F898 HydrophobicContact CD1-CZ 4.14Å; F894-F898 HydrophobicContact CD1-CE2 4.19Å; F894-F898 AromaticContact CE1-CE2 3.68Å; F894-F898 HydrophobicContact CE1-CE2 3.68Å; F894-F898 HydrophobicContact CE1-CZ 4.12Å; F894-F898 HydrophobicContact CE2-CE2 4.03Å; F894-F898 HydrophobicContact CE2-CZ 4.31Å; F894-F898 AromaticContact CZ-CE2 3.59Å; F894-F898 HydrophobicContact CZ-CE2 3.59Å; F894-F898 AromaticContact CZ-CZ 3.72Å; F894-F898 HydrophobicContact CZ-CZ 3.72Å; F894-F898 WeakPolarHBondContact O-CD2 3.36Å; L895-F898 WeakPolarHBondContact O-CB 3.25Å; L895-F898 WeakPolarHBondContact O-CD2 3.19Å; L895-F898 PolarHBondContact O-N 3.49Å; L895-F898 VanDerWaalsContact O-N 3.12Å; Y896-F898 PolarHBondContact O-N 3.47Å; F898-F902 HydrophobicContact CD1-CE1 4.02Å; F898-F902 AromaticContact CD1-CZ 3.82Å; F898-F902 HydrophobicContact CD1-CZ 3.82Å; F898-F902 HydrophobicContact CE1-CE1 4.29Å; F898-F902 HydrophobicContact CE1-CZ 4.29Å; F898-F902 HydrophobicContact CG-CE1 4.24Å; F898-F902 HydrophobicContact CG-CZ 4.3Å
899F91Very high92.7Very high95 Ų9524.7 Ų24.742%0.41713%0.129SC..THydrogen-bonded Turntrans-101.4-11.9-176.5-60.4-88.4000113.4L895 Y896 Q897 F976 F977 Y980L895-F899 VanDerWaalsContact O-CD2 3.27Å; L895-F899 WeakPolarHBondContact O-CD2 3.29Å; Y896-F899 PolarHBondContact O-N 2.89Å; Q897-F899 PolarHBondContact O-N 2.69Å; F899-F976 AromaticContact CD2-CE1 3.71Å; F899-F976 HydrophobicContact CD2-CE1 3.71Å; F899-F976 AromaticContact CD2-CZ 3.47Å; F899-F976 HydrophobicContact CD2-CZ 3.47Å; F899-F976 VanDerWaalsContact CD2-CZ 3.47Å; F899-F976 HydrophobicContact CE2-CD1 4.48Å; F899-F976 AromaticContact CE2-CE1 3.3Å; F899-F976 HydrophobicContact CE2-CE1 3.3Å; F899-F976 AromaticContact CE2-CZ 3.61Å; F899-F976 HydrophobicContact CE2-CZ 3.61Å; F899-F976 HydrophobicContact CG-CZ 4.35Å; F899-F976 HydrophobicContact CZ-CE1 4.02Å; F899-F977 HydrophobicContact CZ-CE1 4.12Å; F899-Y980 AromaticContact CD1-CE2 3.92Å; F899-Y980 HydrophobicContact CD1-CE2 3.92Å; F899-Y980 HydrophobicContact CE1-CD2 4.4Å; F899-Y980 HydrophobicContact CE1-CE1 4.49Å; F899-Y980 AromaticContact CE1-CE2 3.81Å; F899-Y980 HydrophobicContact CE1-CE2 3.81Å; F899-Y980 AromaticContact CE1-CZ 3.86Å
900C89.2Confident92.3Very high28 Ų2827.1 Ų27.119%0.18914%0.144CC..THydrogen-bonded Turntrans-105.116.1178.975.10000113.8Y896 Q897 F902 S903 Q905Y896-C900 HydrophobicContact CE1-CB 4.24Å; Y896-C900 PolarHBondContact O-N 3.45Å; Q897-C900 VanDerWaalsContact CA-SG 3.59Å; Q897-C900 PolarHBondContact OE1-SG 2.89Å; Q897-C900 VanDerWaalsContact OE1-SG 3.39Å; C900-F902 PolarHBondContact O-N 3.45Å; C900-S903 WeakPolarHBondContact O-CB 3.47Å; C900-S903 PolarHBondContact O-N 3.38Å; C900-S903 PolarHBondContact O-OG 3.32Å; C900-Q905 HydrophobicContact CB-CB 4.43Å
901G88.1Confident91.9Very high25 Ų2527.6 Ų27.626%0.25815%0.148SC..THydrogen-bonded Turntrans63.927.8-17700000113.5S903G901-S903 PolarHBondContact O-N 3.39Å
902F91.6Very high91.7Very high14 Ų1426.3 Ų26.36%0.06114%0.142CC..THydrogen-bonded Turntrans57.532.7-178.9-51.1-82.7000114.2N311 L314 K315 W318 F352 Q897 F898 C900 Q904N311-F902 HydrophobicContact CB-CD1 4.23Å; L314-F902 HydrophobicContact CB-CD1 4.34Å; L314-F902 HydrophobicContact CB-CD2 4.46Å; L314-F902 HydrophobicContact CB-CE1 3.77Å; L314-F902 HydrophobicContact CB-CE2 3.91Å; L314-F902 HydrophobicContact CB-CZ 3.53Å; L314-F902 HydrophobicContact CD1-CE1 4.07Å; L314-F902 HydrophobicContact CD1-CZ 3.95Å; L314-F902 HydrophobicContact CG-CZ 4.37Å; K315-F902 HydrophobicContact CB-CB 3.58Å; K315-F902 HydrophobicContact CB-CG 4.21Å; K315-F902 HydrophobicContact CD-CB 4.44Å; K315-F902 WeakPolarHBondContact CD-O 3.28Å; K315-F902 HydrophobicContact CG-CB 3.89Å; W318-F902 HydrophobicContact CB-CD2 4.28Å; W318-F902 HydrophobicContact CB-CE2 4.41Å; F352-F902 HydrophobicContact CZ-CB 4.09Å; F352-F902 WeakPolarHBondContact CZ-O 3.27Å; Q897-F902 HydrophobicContact CB-CD1 4.07Å; Q897-F902 WeakPolarHBondContact O-CD1 3.18Å; Q897-F902 PolarHBondContact O-N 2.88Å; F898-F902 HydrophobicContact CD1-CE1 4.02Å; F898-F902 AromaticContact CD1-CZ 3.82Å; F898-F902 HydrophobicContact CD1-CZ 3.82Å; F898-F902 HydrophobicContact CE1-CE1 4.29Å; F898-F902 HydrophobicContact CE1-CZ 4.29Å; F898-F902 HydrophobicContact CG-CE1 4.24Å; F898-F902 HydrophobicContact CG-CZ 4.3Å; C900-F902 PolarHBondContact O-N 3.45Å; F902-Q904 PolarHBondContact O-N 3.01Å
903S88.6Confident91.3Very high65 Ų6526.3 Ų26.346%0.45514%0.143SC..  trans-76.85.9178.954.70000114.8C900 G901 Q905C900-S903 WeakPolarHBondContact O-CB 3.47Å; C900-S903 PolarHBondContact O-N 3.38Å; C900-S903 PolarHBondContact O-OG 3.32Å; G901-S903 PolarHBondContact O-N 3.39Å; S903-Q905 PolarHBondContact O-N 2.98Å
904Q91.1Very high90.9Very high20 Ų2027.3 Ų27.39%0.09315%0.149CC..  trans62.618.1-176.9-54.6105.3-11.100114.5P90 D348 A351 F352 L355 Q897 F902 P906P90-Q904 HydrophobicContact CB-CB 4.4Å; P90-Q904 WeakPolarHBondContact CB-O 3.4Å; P90-Q904 HydrophobicContact CG-CB 4.22Å; D348-Q904 PolarHBondContact OD1-NE2 3.4Å; A351-Q904 HydrophobicContact CB-CG 4.43Å; F352-Q904 HydrophobicContact CD1-CG 3.82Å; F352-Q904 HydrophobicContact CD2-CG 4.31Å; F352-Q904 HydrophobicContact CE1-CB 4.39Å; F352-Q904 HydrophobicContact CE1-CG 3.49Å; F352-Q904 VanDerWaalsContact CE1-CG 3.49Å; F352-Q904 HydrophobicContact CE2-CG 4.01Å; F352-Q904 HydrophobicContact CG-CG 4.21Å; F352-Q904 HydrophobicContact CZ-CG 3.58Å; L355-Q904 HydrophobicContact CD2-CB 4.41Å; Q897-Q904 VanDerWaalsContact OE1-CA 3.22Å; F902-Q904 PolarHBondContact O-N 3.01Å; Q904-P906 WeakPolarHBondContact O-CD 3.13Å
905Q91.6Very high90.6Very high57 Ų5728.2 Ų28.227%0.26615%0.154SC..  trans-61122.4177174.960.136.700110.3Y896 Q897 C900 S903Y896-Q905 HydrophobicContact CE1-CB 4.23Å; Y896-Q905 HydrophobicContact CE1-CG 3.85Å; Q897-Q905 PolarHBondContact NE2-O 2.97Å; C900-Q905 HydrophobicContact CB-CB 4.43Å; S903-Q905 PolarHBondContact O-N 2.98Å
906P92Very high90.3Very high11 Ų1127.3 Ų27.37%0.07115%0.149CC..  trans-68.4138173.127.9-33.8000110.3L355 Q904L355-P906 HydrophobicContact CD1-CB 4.14Å; Q904-P906 WeakPolarHBondContact O-CD 3.13Å
907L93.6Very high89.8Confident2 Ų226.1 Ų26.11%0.0115%0.145CC..SBendtrans-74.6-35.7175178.261.5000111.5P892 Q893 Y896 F1008 G1009 I1012P892-L907 HydrophobicContact CB-CD2 4Å; Q893-L907 HydrophobicContact CB-CB 4.44Å; Q893-L907 HydrophobicContact CG-CB 4.4Å; Y896-L907 HydrophobicContact CD1-CB 4.03Å; Y896-L907 HydrophobicContact CD1-CD1 4.25Å; Y896-L907 HydrophobicContact CD2-CD1 3.87Å; Y896-L907 HydrophobicContact CE1-CD1 4.49Å; Y896-L907 HydrophobicContact CE2-CD1 4.11Å; Y896-L907 HydrophobicContact CG-CB 4.21Å; Y896-L907 HydrophobicContact CG-CD1 3.93Å; L907-F1008 HydrophobicContact CD1-CD1 3.63Å; L907-F1008 HydrophobicContact CD1-CE1 3.81Å; L907-G1009 WeakPolarHBondContact O-CA 3.35Å; L907-I1012 HydrophobicContact CD1-CD1 4.42Å; L907-I1012 HydrophobicContact CD2-CD1 3.99Å; L907-I1012 HydrophobicContact CD2-CG2 4.41Å
908Y92Very high89.3Confident2 Ų227.7 Ų27.71%0.00815%0.153CC..SBendtrans-106151.6-176-51-59.8000111.8F889 P892 Q893 L913 I1012 F1013F889-Y908 HydrophobicContact CD2-CD2 4.15Å; F889-Y908 AromaticContact CD2-CE2 3.77Å; F889-Y908 HydrophobicContact CD2-CE2 3.77Å; F889-Y908 AromaticContact CE2-CD2 3.51Å; F889-Y908 HydrophobicContact CE2-CD2 3.51Å; F889-Y908 AromaticContact CE2-CE2 3.62Å; F889-Y908 HydrophobicContact CE2-CE2 3.62Å; F889-Y908 HydrophobicContact CE2-CG 4.27Å; F889-Y908 HydrophobicContact CZ-CD2 4.27Å; F889-Y908 WeakPolarHBondContact O-CE2 3.47Å; F889-Y908 PolarHBondContact O-OH 2.88Å; P892-Y908 WeakPolarHBondContact CB-OH 3.46Å; Q893-Y908 HydrophobicContact CB-CE2 4.37Å; Y908-L913 HydrophobicContact CD2-CD2 3.97Å; Y908-L913 HydrophobicContact CG-CD2 4.43Å; Y908-I1012 HydrophobicContact CE1-CB 4.39Å; Y908-I1012 HydrophobicContact CE1-CG2 4.06Å; Y908-I1012 WeakPolarHBondContact OH-CG2 3.36Å; Y908-F1013 HydrophobicContact CD1-CB 3.89Å; Y908-F1013 AromaticContact CD1-CD2 3.74Å; Y908-F1013 HydrophobicContact CD1-CD2 3.74Å; Y908-F1013 HydrophobicContact CD1-CG 4.24Å; Y908-F1013 HydrophobicContact CE1-CB 3.87Å; Y908-F1013 AromaticContact CE1-CD2 3.94Å; Y908-F1013 HydrophobicContact CE1-CD2 3.94Å; Y908-F1013 HydrophobicContact CE1-CG 4.42Å; Y908-F1013 HydrophobicContact CG-CD2 4.12Å
909D90Very high89Confident12 Ų1225.6 Ų25.66%0.06415%0.149CC..  trans-66.2153173-177.754.5000112A911 Y912 L913 W1006 W1053 M1066D909-A911 PolarHBondContact O-N 3.22Å; D909-A911 WeakPolarHBondContact OD2-CB 3.21Å; D909-A911 PolarHBondContact OD2-N 3.24Å; D909-Y912 HydrophobicContact CB-CD2 4.23Å; D909-Y912 HydrophobicContact CB-CG 4.48Å; D909-Y912 PolarHBondContact O-N 2.83Å; D909-L913 WeakPolarHBondContact O-CG 3.37Å; D909-L913 PolarHBondContact O-N 3.4Å; D909-W1006 HydrophobicContact CB-CE3 4.45Å; D909-W1006 HydrophobicContact CB-CZ3 4.3Å; D909-W1053 PolarHBondContact OD2-NE1 2.92Å; D909-M1066 HydrophobicContact CB-CE 3.64Å; D909-M1066 HydrophobicContact CB-CG 3.85Å; D909-M1066 HydrophobicContact CB-SD 3.74Å
910T86.5Confident88.9Confident50 Ų5021.1 Ų21.131%0.30713%0.13SC..Hα-helixtrans-60.8-32.7-177.854.90000112.6T95 T914T95-T910 HydrophobicContact CG2-CG2 4.16Å; T910-T914 WeakPolarHBondContact O-CG2 3.45Å; T910-T914 PolarHBondContact O-N 3.24Å; T910-T914 PolarHBondContact O-OG1 3.16Å
911A86.8Confident89Confident10 Ų1019.8 Ų19.88%0.08312%0.121CC..Hα-helixtrans-69.4-36.1175.500000112.4D909 T914 L915 F1049 W1053D909-A911 PolarHBondContact O-N 3.22Å; D909-A911 WeakPolarHBondContact OD2-CB 3.21Å; D909-A911 PolarHBondContact OD2-N 3.24Å; A911-T914 PolarHBondContact O-OG1 3.49Å; A911-L915 WeakPolarHBondContact O-CB 3.41Å; A911-L915 WeakPolarHBondContact O-CG 3.33Å; A911-L915 PolarHBondContact O-N 3.06Å; A911-F1049 HydrophobicContact CB-CE1 4.45Å; A911-F1049 HydrophobicContact CB-CZ 4.24Å; A911-W1053 HydrophobicContact CB-CD2 4.3Å; A911-W1053 HydrophobicContact CB-CZ2 3.75Å
912Y89.6Confident89Confident3 Ų319.3 Ų19.31%0.01211%0.114CC..Hα-helixtrans-70.4-39.1175.8-67.8-16.2000111.7D909 T914 Y916 F920 T1010 F1013 Y1046 F1049 S1050 M1066D909-Y912 HydrophobicContact CB-CD2 4.23Å; D909-Y912 HydrophobicContact CB-CG 4.48Å; D909-Y912 PolarHBondContact O-N 2.83Å; Y912-T914 VanDerWaalsContact C-N 3.3Å; Y912-T914 PolarHBondContact O-N 3.28Å; Y912-Y916 VanDerWaalsContact O-CB 3.25Å; Y912-Y916 WeakPolarHBondContact O-CB 3.34Å; Y912-Y916 PolarHBondContact O-N 3.24Å; Y912-Y916 VanDerWaalsContact O-N 3.11Å; Y912-F920 HydrophobicContact CD1-CE2 4.25Å; Y912-T1010 HydrophobicContact CE2-CG2 4.28Å; Y912-F1013 HydrophobicContact CD1-CE1 4.12Å; Y912-F1013 AromaticContact CD2-CD1 3.98Å; Y912-F1013 HydrophobicContact CD2-CD1 3.98Å; Y912-F1013 HydrophobicContact CD2-CE1 4.29Å; Y912-F1013 HydrophobicContact CD2-CG 4.09Å; Y912-F1013 HydrophobicContact CE2-CD1 4.34Å; Y912-F1013 HydrophobicContact CG-CD1 4.08Å; Y912-F1013 AromaticContact CG-CE1 3.91Å; Y912-F1013 HydrophobicContact CG-CE1 3.91Å; Y912-F1013 HydrophobicContact CG-CE2 4.45Å; Y912-F1013 HydrophobicContact CG-CG 4.41Å; Y912-F1013 HydrophobicContact CG-CZ 4.1Å; Y912-Y1046 HydrophobicContact CE1-CE2 4.35Å; Y912-F1049 HydrophobicContact CD1-CE1 4.27Å; Y912-F1049 HydrophobicContact CE1-CD1 4.23Å; Y912-F1049 HydrophobicContact CE1-CE1 4.03Å; Y912-S1050 WeakPolarHBondContact OH-CB 3.42Å; Y912-S1050 PolarHBondContact OH-OG 3.18Å; Y912-M1066 HydrophobicContact CD2-CE 3.97Å; Y912-M1066 HydrophobicContact CE2-CE 3.29Å
913L88.1Confident88.9Confident1 Ų122.9 Ų22.91%0.00513%0.133CC..Hα-helixtrans-59.5-38.3175.4-66.3176.8000112.7T91 Y358 F889 Y908 D909T91-L913 HydrophobicContact CG2-CD1 3.88Å; Y358-L913 HydrophobicContact CD2-CD2 4.37Å; Y358-L913 HydrophobicContact CE2-CB 4.28Å; Y358-L913 HydrophobicContact CE2-CD1 4.26Å; Y358-L913 HydrophobicContact CE2-CD2 4.24Å; Y358-L913 HydrophobicContact CE2-CG 4.5Å; F889-L913 HydrophobicContact CE1-CD2 4.41Å; F889-L913 HydrophobicContact CE2-CD2 4.14Å; F889-L913 HydrophobicContact CZ-CD2 3.51Å; Y908-L913 HydrophobicContact CD2-CD2 3.97Å; Y908-L913 HydrophobicContact CG-CD2 4.43Å; D909-L913 WeakPolarHBondContact O-CG 3.37Å; D909-L913 PolarHBondContact O-N 3.4Å
914T85.8Confident89.1Confident21 Ų2119.9 Ų19.913%0.12911%0.112CC..Hα-helixtrans-78.9-47.8179.951.20000113.1T95 T910 A911 Y912T95-T914 VanDerWaalsContact CA-CG2 3.45Å; T95-T914 HydrophobicContact CG2-CG2 3.93Å; T910-T914 WeakPolarHBondContact O-CG2 3.45Å; T910-T914 PolarHBondContact O-N 3.24Å; T910-T914 PolarHBondContact O-OG1 3.16Å; A911-T914 PolarHBondContact O-OG1 3.49Å; Y912-T914 VanDerWaalsContact C-N 3.3Å; Y912-T914 PolarHBondContact O-N 3.28Å
915L88.1Confident89.2Confident39 Ų3919 Ų1920%0.20411%0.108CC..Hα-helixtrans-80.1-21.4-170.3-66.5174.2000113.7A911 N917 I918 S919 F920 F1049A911-L915 WeakPolarHBondContact O-CB 3.41Å; A911-L915 WeakPolarHBondContact O-CG 3.33Å; A911-L915 PolarHBondContact O-N 3.06Å; L915-N917 PolarHBondContact O-N 3.45Å; L915-I918 PolarHBondContact O-N 3.49Å; L915-S919 PolarHBondContact O-N 3.4Å; L915-F920 HydrophobicContact CB-CD2 4.12Å; L915-F920 HydrophobicContact CB-CE1 4.32Å; L915-F920 HydrophobicContact CB-CE2 3.63Å; L915-F920 HydrophobicContact CB-CZ 3.72Å; L915-F920 HydrophobicContact CD1-CZ 3.99Å; L915-F920 PolarHBondContact O-N 3.17Å; L915-F1049 HydrophobicContact CD1-CD1 4.29Å; L915-F1049 HydrophobicContact CD1-CD2 4.06Å; L915-F1049 HydrophobicContact CD1-CE1 3.65Å; L915-F1049 HydrophobicContact CD1-CE2 3.38Å; L915-F1049 HydrophobicContact CD1-CG 4.48Å; L915-F1049 HydrophobicContact CD1-CZ 3.15Å
916Y89.8Confident89.3Confident0 Ų017.6 Ų17.60%010%0.102CC..Iπ-helixtrans-53.1-50.9179.8177.5-103.7000112.7K885 F889 Y912 T921 F1013 L1016 V1017K885-Y916 PolarHBondContact O-OH 3.4Å; K885-Y916 VanDerWaalsContact O-OH 3.04Å; F889-Y916 HydrophobicContact CB-CD1 4.25Å; F889-Y916 HydrophobicContact CB-CE1 3.66Å; F889-Y916 AromaticContact CD1-CD1 3.71Å; F889-Y916 HydrophobicContact CD1-CD1 3.71Å; F889-Y916 AromaticContact CD1-CE1 3.91Å; F889-Y916 HydrophobicContact CD1-CE1 3.91Å; F889-Y916 HydrophobicContact CD2-CD1 4.21Å; F889-Y916 HydrophobicContact CD2-CE1 4.38Å; F889-Y916 HydrophobicContact CD2-CG 4.36Å; F889-Y916 HydrophobicContact CE1-CD1 4.01Å; F889-Y916 HydrophobicContact CE2-CD1 4.48Å; F889-Y916 HydrophobicContact CE2-CG 4.41Å; F889-Y916 AromaticContact CG-CD1 3.8Å; F889-Y916 HydrophobicContact CG-CD1 3.8Å; F889-Y916 AromaticContact CG-CE1 3.73Å; F889-Y916 HydrophobicContact CG-CE1 3.73Å; F889-Y916 HydrophobicContact CG-CG 4.4Å; F889-Y916 HydrophobicContact CZ-CD1 4.37Å; F889-Y916 HydrophobicContact CZ-CG 4.5Å; Y912-Y916 VanDerWaalsContact O-CB 3.25Å; Y912-Y916 WeakPolarHBondContact O-CB 3.34Å; Y912-Y916 PolarHBondContact O-N 3.24Å; Y912-Y916 VanDerWaalsContact O-N 3.11Å; Y916-T921 HydrophobicContact CD2-CG2 3.96Å; Y916-T921 HydrophobicContact CE2-CG2 3.51Å; Y916-T921 PolarHBondContact O-N 3.09Å; Y916-T921 VanDerWaalsContact O-N 3.12Å; Y916-T921 PolarHBondContact O-OG1 2.97Å; Y916-F1013 AromaticContact CD2-CE2 3.97Å; Y916-F1013 HydrophobicContact CD2-CE2 3.97Å; Y916-F1013 AromaticContact CD2-CZ 3.85Å; Y916-F1013 HydrophobicContact CD2-CZ 3.85Å; Y916-F1013 HydrophobicContact CG-CE2 4.31Å; Y916-F1013 HydrophobicContact CG-CZ 4.33Å; Y916-L1016 HydrophobicContact CD2-CD2 4.45Å; Y916-L1016 HydrophobicContact CE2-CD2 3.9Å; Y916-L1016 HydrophobicContact CE2-CG 4.15Å; Y916-V1017 HydrophobicContact CD2-CG2 4.2Å; Y916-V1017 HydrophobicContact CE2-CG2 4.28Å
917N84.8Confident89.3Confident9 Ų919 Ų195%0.04811%0.108CC..Iπ-helixtrans-88.2-18.7-174.8-86.1-33000114.3S363 K885 N886 L915S363-N917 WeakPolarHBondContact CB-O 3.46Å; S363-N917 PolarHBondContact OG-O 3.04Å; K885-N917 PolarHBondContact NZ-OD1 2.74Å; N886-N917 PolarHBondContact ND2-OD1 3.47Å; N886-N917 PolarHBondContact OD1-ND2 3.37Å; N886-N917 PolarHBondContact OD1-OD1 3.47Å; N886-N917 VanDerWaalsContact OD1-OD1 3.13Å; L915-N917 PolarHBondContact O-N 3.45Å
918I84.2Confident89.3Confident32 Ų3219.1 Ų19.116%0.16411%0.109CC..Iπ-helixtrans-96.8-38.2-178.3-61.8177.1000112.2L98 P99 L915 S922L98-I918 HydrophobicContact CD2-CD1 3.76Å; P99-I918 HydrophobicContact CB-CD1 3.84Å; P99-I918 HydrophobicContact CB-CG1 4.38Å; P99-I918 HydrophobicContact CG-CD1 3.84Å; L915-I918 PolarHBondContact O-N 3.49Å; I918-S922 WeakPolarHBondContact O-CB 3.2Å; I918-S922 PolarHBondContact O-OG 2.95Å
919S85.9Confident89.3Confident42 Ų4219 Ų1929%0.29411%0.108SC..Iπ-helixtrans-124.6-54.5-168.6-56.90000112.9L915 T921L915-S919 PolarHBondContact O-N 3.4Å; S919-T921 PolarHBondContact O-N 3.13Å
920F90.1Very high89.4Confident0 Ų018.9 Ų18.90%011%0.108CC..Iπ-helixtrans-64.1-46.5-171.7-59.2-36000112.1Y912 L915 F1013 S1042 F1045 Y1046 F1049Y912-F920 HydrophobicContact CD1-CE2 4.25Å; L915-F920 HydrophobicContact CB-CD2 4.12Å; L915-F920 HydrophobicContact CB-CE1 4.32Å; L915-F920 HydrophobicContact CB-CE2 3.63Å; L915-F920 HydrophobicContact CB-CZ 3.72Å; L915-F920 HydrophobicContact CD1-CZ 3.99Å; L915-F920 PolarHBondContact O-N 3.17Å; F920-F1013 HydrophobicContact CD2-CE1 4.05Å; F920-F1013 HydrophobicContact CD2-CZ 4.01Å; F920-F1013 HydrophobicContact CE2-CE1 4.07Å; F920-F1013 HydrophobicContact CE2-CZ 4.19Å; F920-S1042 PolarHBondContact O-OG 3.26Å; F920-F1045 AromaticContact CD1-CD1 3.74Å; F920-F1045 HydrophobicContact CD1-CD1 3.74Å; F920-F1045 AromaticContact CD1-CE1 3.73Å; F920-F1045 HydrophobicContact CD1-CE1 3.73Å; F920-F1045 AromaticContact CE1-CD1 3.89Å; F920-F1045 HydrophobicContact CE1-CD1 3.89Å; F920-F1045 AromaticContact CE1-CE1 3.59Å; F920-F1045 HydrophobicContact CE1-CE1 3.59Å; F920-Y1046 HydrophobicContact CD1-CD2 4.45Å; F920-Y1046 HydrophobicContact CD2-CD2 4.2Å; F920-Y1046 HydrophobicContact CE1-CD2 4.31Å; F920-Y1046 HydrophobicContact CE2-CD2 4.05Å; F920-Y1046 HydrophobicContact CG-CD2 4.44Å; F920-Y1046 HydrophobicContact CZ-CD2 4.12Å; F920-F1049 HydrophobicContact CE1-CB 4.12Å; F920-F1049 HydrophobicContact CE1-CD1 4.11Å; F920-F1049 HydrophobicContact CE1-CG 4.09Å; F920-F1049 HydrophobicContact CZ-CB 4.36Å; F920-F1049 AromaticContact CZ-CD1 3.5Å; F920-F1049 HydrophobicContact CZ-CD1 3.5Å; F920-F1049 VanDerWaalsContact CZ-CD1 3.5Å; F920-F1049 AromaticContact CZ-CE1 3.98Å; F920-F1049 HydrophobicContact CZ-CE1 3.98Å; F920-F1049 AromaticContact CZ-CG 3.94Å; F920-F1049 HydrophobicContact CZ-CG 3.94Å
921T90.6Very high89.7Confident0 Ų017.7 Ų17.70%010%0.101CC..THydrogen-bonded Turntrans-1142.6-171.264.60000115.2K885 Y916 S919 I925 V1020K885-T921 PolarHBondContact NZ-OG1 2.57Å; Y916-T921 HydrophobicContact CD2-CG2 3.96Å; Y916-T921 HydrophobicContact CE2-CG2 3.51Å; Y916-T921 PolarHBondContact O-N 3.09Å; Y916-T921 VanDerWaalsContact O-N 3.12Å; Y916-T921 PolarHBondContact O-OG1 2.97Å; S919-T921 PolarHBondContact O-N 3.13Å; T921-I925 WeakPolarHBondContact O-CG2 3.46Å; T921-V1020 HydrophobicContact CG2-CG2 3.83Å
922S87.6Confident89.9Confident16 Ų1617.3 Ų17.311%0.11210%0.097CC..Hα-helixtrans-86.9-44.1-173.9590000113.6I918 I925 L926I918-S922 WeakPolarHBondContact O-CB 3.2Å; I918-S922 PolarHBondContact O-OG 2.95Å; S922-I925 WeakPolarHBondContact O-CG2 3.39Å; S922-L926 WeakPolarHBondContact O-CB 3.3Å; S922-L926 PolarHBondContact O-N 3.46Å; S922-L926 VanDerWaalsContact O-N 3.1Å
923L89.8Confident89.9Confident88 Ų8820.4 Ų20.446%0.46111%0.111SC..Hα-helixtrans-67.8-41.7-176.6-168.168.6000112.6I925 L926 L927 V1038L923-I925 PolarHBondContact O-N 2.92Å; L923-L926 PolarHBondContact O-N 3.21Å; L923-L927 HydrophobicContact CD1-CD1 4.02Å; L923-L927 HydrophobicContact CD1-CG 4.47Å; L923-L927 HydrophobicContact CG-CD1 4.02Å; L923-L927 PolarHBondContact O-N 2.96Å; L923-V1038 HydrophobicContact CB-CG1 4.17Å; L923-V1038 HydrophobicContact CD2-CG1 4.05Å; L923-V1038 HydrophobicContact CG-CG1 3.77Å
924P92.4Very high89.8Confident3 Ų321.5 Ų21.52%0.01912%0.117CC..Hα-helixtrans-57.3-47.2175.9-25.334.9000113.1L927 Y928 L1024 V1038 I1039P924-L927 PolarHBondContact O-N 2.9Å; P924-Y928 WeakPolarHBondContact O-CB 3.48Å; P924-Y928 PolarHBondContact O-N 3.3Å; P924-L1024 HydrophobicContact CB-CD2 3.7Å; P924-V1038 VanDerWaalsContact CA-CG1 3.49Å; P924-V1038 HydrophobicContact CB-CG1 4.2Å; P924-V1038 HydrophobicContact CG-CG1 4.03Å; P924-I1039 HydrophobicContact CB-CG1 4.41Å
925I93.8Very high89.9Confident0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-70.8-34.5-178.8-173.563.7000112.5L878 Y881 F882 T921 S922 L923 Y928 S929 L1024L878-I925 HydrophobicContact CB-CG1 4.43Å; L878-I925 HydrophobicContact CG-CG1 4.05Å; Y881-I925 HydrophobicContact CD1-CB 3.93Å; Y881-I925 HydrophobicContact CD1-CD1 3.47Å; Y881-I925 VanDerWaalsContact CD1-CD1 3.47Å; Y881-I925 HydrophobicContact CD1-CG1 3.56Å; Y881-I925 HydrophobicContact CE1-CB 3.86Å; Y881-I925 HydrophobicContact CE1-CD1 4.07Å; Y881-I925 HydrophobicContact CE1-CG1 4.04Å; Y881-I925 HydrophobicContact CE1-CG2 4.39Å; Y881-I925 HydrophobicContact CG-CD1 3.79Å; Y881-I925 HydrophobicContact CG-CG1 4.35Å; F882-I925 HydrophobicContact CD2-CG1 4.22Å; F882-I925 HydrophobicContact CD2-CG2 4.27Å; F882-I925 HydrophobicContact CE2-CB 4.41Å; F882-I925 HydrophobicContact CE2-CG1 4.06Å; F882-I925 HydrophobicContact CE2-CG2 3.45Å; F882-I925 VanDerWaalsContact CE2-CG2 3.45Å; F882-I925 HydrophobicContact CZ-CG2 3.82Å; T921-I925 WeakPolarHBondContact O-CG2 3.46Å; S922-I925 WeakPolarHBondContact O-CG2 3.39Å; L923-I925 PolarHBondContact O-N 2.92Å; I925-Y928 HydrophobicContact CD1-CD1 3.94Å; I925-S929 VanDerWaalsContact O-CB 3.24Å; I925-S929 WeakPolarHBondContact O-CB 3.31Å; I925-S929 PolarHBondContact O-N 2.83Å; I925-L1024 HydrophobicContact CB-CD2 4.22Å; I925-L1024 HydrophobicContact CD1-CD1 3.63Å; I925-L1024 HydrophobicContact CD1-CD2 4.33Å
926L93.1Very high90Very high28 Ų2822.2 Ų22.215%0.14712%0.123CC..Hα-helixtrans-61.5-50175176.959.4000111.1T367 M370 Q371 S922 L923 S929 L930T367-L926 HydrophobicContact CG2-CB 3.87Å; T367-L926 HydrophobicContact CG2-CD1 3.9Å; T367-L926 HydrophobicContact CG2-CG 4.39Å; M370-L926 HydrophobicContact CB-CD1 4.2Å; Q371-L926 HydrophobicContact CB-CD1 4Å; S922-L926 WeakPolarHBondContact O-CB 3.3Å; S922-L926 PolarHBondContact O-N 3.46Å; S922-L926 VanDerWaalsContact O-N 3.1Å; L923-L926 PolarHBondContact O-N 3.21Å; L926-S929 PolarHBondContact O-N 3.4Å; L926-L930 HydrophobicContact CD1-CD1 4.21Å; L926-L930 HydrophobicContact CG-CD1 4.26Å; L926-L930 WeakPolarHBondContact O-CG 3.25Å; L926-L930 PolarHBondContact O-N 2.73Å
927L92.1Very high90Very high40 Ų4024.8 Ų24.821%0.20914%0.136CC..Hα-helixtrans-74.9-35.7-175.9-73.5171.4000112.5L923 P924 S929 L930 V931 I1034 V1038L923-L927 HydrophobicContact CD1-CD1 4.02Å; L923-L927 HydrophobicContact CD1-CG 4.47Å; L923-L927 HydrophobicContact CG-CD1 4.02Å; L923-L927 PolarHBondContact O-N 2.96Å; P924-L927 PolarHBondContact O-N 2.9Å; L927-S929 VanDerWaalsContact C-N 3.3Å; L927-S929 PolarHBondContact O-N 3.29Å; L927-L930 HydrophobicContact CD2-CD1 4.13Å; L927-L930 PolarHBondContact O-N 3.27Å; L927-L930 VanDerWaalsContact O-N 3.12Å; L927-V931 WeakPolarHBondContact O-CG2 3.5Å; L927-V931 PolarHBondContact O-N 3.35Å; L927-I1034 HydrophobicContact CB-CG2 4.33Å; L927-I1034 HydrophobicContact CD1-CG2 4.12Å; L927-I1034 HydrophobicContact CD2-CG2 4.33Å; L927-V1038 HydrophobicContact CB-CG2 4.41Å; L927-V1038 HydrophobicContact CD1-CB 4.19Å; L927-V1038 HydrophobicContact CD1-CG1 4.01Å; L927-V1038 HydrophobicContact CD1-CG2 3.21Å; L927-V1038 HydrophobicContact CG-CG2 4.4Å
928Y93.3Very high90.1Very high5 Ų529.6 Ų29.62%0.0216%0.161CC..Hα-helixtrans-49.7-54.9164.9171.4-94.7000110.4E877 P924 I925 L930 V931 E932 L1024 D1027 T1028E877-Y928 HydrophobicContact CB-CE1 4.24Å; E877-Y928 PolarHBondContact OE2-OH 3.46Å; P924-Y928 WeakPolarHBondContact O-CB 3.48Å; P924-Y928 PolarHBondContact O-N 3.3Å; I925-Y928 HydrophobicContact CD1-CD1 3.94Å; Y928-L930 PolarHBondContact O-N 3.2Å; Y928-V931 PolarHBondContact O-N 2.98Å; Y928-E932 HydrophobicContact CD2-CB 4.41Å; Y928-E932 HydrophobicContact CE1-CG 4.48Å; Y928-E932 HydrophobicContact CE2-CB 4.29Å; Y928-E932 HydrophobicContact CE2-CG 3.95Å; Y928-E932 WeakPolarHBondContact O-CB 3.39Å; Y928-E932 PolarHBondContact O-N 3.4Å; Y928-L1024 HydrophobicContact CD1-CD1 3.92Å; Y928-L1024 HydrophobicContact CD2-CD1 3.91Å; Y928-L1024 HydrophobicContact CD2-CG 4.41Å; Y928-L1024 HydrophobicContact CE1-CD1 4.22Å; Y928-L1024 HydrophobicContact CE2-CD1 4.18Å; Y928-L1024 HydrophobicContact CG-CD1 3.75Å; Y928-L1024 HydrophobicContact CG-CG 4.42Å; Y928-D1027 PolarHBondContact OH-O 3.26Å; Y928-D1027 VanDerWaalsContact OH-O 3.1Å; Y928-T1028 HydrophobicContact CD2-CG2 4.43Å; Y928-T1028 WeakPolarHBondContact CD2-OG1 3.44Å; Y928-T1028 HydrophobicContact CE2-CG2 4.49Å; Y928-T1028 WeakPolarHBondContact CE2-OG1 3Å
929S93.2Very high90.4Very high0 Ų029.7 Ų29.70%016%0.164CC..Hα-helixtrans-68-8.4-177.4-175.20000114.8Q371 R874 L878 I925 L926 L927Q371-S929 WeakPolarHBondContact CG-OG 3.41Å; Q371-S929 PolarHBondContact NE2-O 3.32Å; Q371-S929 VanDerWaalsContact NE2-O 3.13Å; R874-S929 WeakPolarHBondContact CB-O 3.45Å; R874-S929 VanDerWaalsContact CD-O 3.27Å; R874-S929 WeakPolarHBondContact CD-O 3.28Å; R874-S929 WeakPolarHBondContact CG-O 3.47Å; R874-S929 PolarHBondContact O-OG 3.29Å; L878-S929 WeakPolarHBondContact CD1-OG 3.41Å; I925-S929 VanDerWaalsContact O-CB 3.24Å; I925-S929 WeakPolarHBondContact O-CB 3.31Å; I925-S929 PolarHBondContact O-N 2.83Å; L926-S929 PolarHBondContact O-N 3.4Å; L927-S929 VanDerWaalsContact C-N 3.3Å; L927-S929 PolarHBondContact O-N 3.29Å
930L92.8Very high90.6Very high9 Ų927.9 Ų27.95%0.04715%0.151CC..Hα-helixtrans-96.6-41.8173.8-74168.5000111.6Q371 L374 F378 R874 L926 L927 Y928Q371-L930 HydrophobicContact CG-CD2 4.22Å; Q371-L930 HydrophobicContact CG-CG 4.46Å; Q371-L930 WeakPolarHBondContact O-CD2 3.32Å; L374-L930 HydrophobicContact CB-CD1 4.12Å; L374-L930 HydrophobicContact CB-CD2 3.84Å; L374-L930 HydrophobicContact CD1-CD1 3.85Å; F378-L930 HydrophobicContact CE2-CB 4.23Å; F378-L930 HydrophobicContact CE2-CD2 4.19Å; F378-L930 WeakPolarHBondContact CE2-O 3.34Å; R874-L930 VanDerWaalsContact CZ-O 3.23Å; R874-L930 PolarHBondContact NH1-O 3.04Å; R874-L930 PolarHBondContact NH2-O 3.44Å; L926-L930 HydrophobicContact CD1-CD1 4.21Å; L926-L930 HydrophobicContact CG-CD1 4.26Å; L926-L930 WeakPolarHBondContact O-CG 3.25Å; L926-L930 PolarHBondContact O-N 2.73Å; L927-L930 HydrophobicContact CD2-CD1 4.13Å; L927-L930 PolarHBondContact O-N 3.27Å; L927-L930 VanDerWaalsContact O-N 3.12Å; Y928-L930 PolarHBondContact O-N 3.2Å
931V91.1Very high90.5Very high26 Ų2630 Ų3016%0.15816%0.16CC..Hα-helixtrans-97.5-19.8-168.8-175.30000112.6L927 Y928 Q933 T1032 I1034L927-V931 WeakPolarHBondContact O-CG2 3.5Å; L927-V931 PolarHBondContact O-N 3.35Å; Y928-V931 PolarHBondContact O-N 2.98Å; V931-Q933 PolarHBondContact O-N 3.01Å; V931-T1032 HydrophobicContact CG1-CG2 3.62Å; V931-I1034 HydrophobicContact CG2-CD1 4.32Å
932E92Very high90.5Very high2 Ų238.9 Ų38.91%0.00919%0.193CC..  trans-58.9132.7-171.2-175.756-146.900113.1R874 Y928 C1029 H1030R874-E932 HydrophobicContact CG-CB 4.41Å; R874-E932 PolarHBondContact NE-O 3.2Å; R874-E932 PolarHBondContact NH2-O 2.98Å; Y928-E932 HydrophobicContact CD2-CB 4.41Å; Y928-E932 HydrophobicContact CE1-CG 4.48Å; Y928-E932 HydrophobicContact CE2-CB 4.29Å; Y928-E932 HydrophobicContact CE2-CG 3.95Å; Y928-E932 WeakPolarHBondContact O-CB 3.39Å; Y928-E932 PolarHBondContact O-N 3.4Å; E932-C1029 WeakPolarHBondContact OE1-CA 3.04Å; E932-C1029 WeakPolarHBondContact OE1-CB 3.46Å; E932-C1029 PolarHBondContact OE1-N 3.43Å; E932-H1030 PolarHBondContact OE1-N 3.39Å; E932-H1030 VanDerWaalsContact OE1-N 3.16Å
933Q89.7Confident90.6Very high67 Ų6741.4 Ų41.431%0.31320%0.203SC..  trans-135.385.9175.2-63.4179.115.600108.9Y870 V931 V935 H1030Y870-Q933 HydrophobicContact CE1-CB 4.38Å; Y870-Q933 HydrophobicContact CE2-CG 4.32Å; V931-Q933 PolarHBondContact O-N 3.01Å; Q933-V935 PolarHBondContact O-N 3.01Å; Q933-H1030 HydrophobicContact CB-CB 4.18Å
934H85.7Confident90.7Very high25 Ų2537.6 Ų37.612%0.11618%0.184CC..SBendtrans-62.4-30.117970.2-70.3000112.7H869 Y870 I873 C1029 Q1113H869-H934 AromaticContact CD2-CE1 3.32Å; H869-H934 PolarHBondContact CD2-CE1 2.86Å; H869-H934 AromaticContact CD2-NE2 3.57Å; H869-H934 AromaticContact NE2-CE1 3.19Å; H869-H934 PolarHBondContact NE2-CE1 3.04Å; H869-H934 AromaticContact NE2-NE2 2.94Å; H869-H934 PolarHBondContact NE2-NE2 2.75Å; Y870-H934 AromaticContact CD1-CE1 3.98Å; I873-H934 WeakPolarHBondContact CD1-CE1 3.44Å; I873-H934 VanDerWaalsContact CD1-NE2 3.29Å; I873-H934 WeakPolarHBondContact CD1-NE2 3.34Å; H934-C1029 HydrophobicContact CB-CB 4.37Å; H934-Q1113 PolarHBondContact O-NE2 3.16Å
935V88.2Confident90.7Very high5 Ų540.3 Ų40.33%0.0320%0.203CC..SBendtrans-130.6147.1174.3174.50000108.6Y870 Q933 T939 L940 T1109 Q1113Y870-V935 VanDerWaalsContact CE1-O 3.25Å; Y870-V935 WeakPolarHBondContact CE1-O 3.22Å; Y870-V935 VanDerWaalsContact CZ-O 3.3Å; Y870-V935 PolarHBondContact OH-O 3.13Å; Q933-V935 PolarHBondContact O-N 3.01Å; V935-T939 HydrophobicContact CG1-CG2 3.82Å; V935-L940 HydrophobicContact CB-CD2 4.21Å; V935-L940 HydrophobicContact CB-CG 4.21Å; V935-L940 HydrophobicContact CG1-CD2 4.01Å; V935-L940 HydrophobicContact CG1-CG 3.88Å; V935-T1109 HydrophobicContact CG2-CG2 4.46Å; V935-Q1113 HydrophobicContact CG2-CG 4.21Å
936T89.3Confident90.5Very high70 Ų7040.4 Ų40.443%0.42920%0.204SC..  trans-69.7151179.1610000112.3D938 T939 L940T936-D938 VanDerWaalsContact C-N 3.29Å; T936-D938 PolarHBondContact O-N 2.79Å; T936-T939 PolarHBondContact O-N 3.11Å; T936-T939 VanDerWaalsContact O-N 3.17Å; T936-T939 PolarHBondContact OG1-OG1 3.5Å; T936-L940 PolarHBondContact O-N 3.48Å; T936-L940 VanDerWaalsContact O-N 3.17Å
937I89.6Confident90.4Very high54 Ų5439.3 Ų39.328%0.27720%0.197SC..Hα-helixtrans-54.6-44.4-178.7-66.3174.1000111.6V866 Y870 T939 L940 K941V866-I937 HydrophobicContact CG1-CB 4.27Å; V866-I937 HydrophobicContact CG1-CG1 3.91Å; V866-I937 HydrophobicContact CG1-CG2 3.94Å; V866-I937 HydrophobicContact CG2-CG2 4.24Å; Y870-I937 HydrophobicContact CE2-CG1 3.91Å; Y870-I937 WeakPolarHBondContact OH-CG1 3.25Å; Y870-I937 PolarHBondContact OH-N 3.01Å; I937-T939 VanDerWaalsContact C-N 3.34Å; I937-T939 PolarHBondContact O-N 2.97Å; I937-L940 PolarHBondContact O-N 2.75Å; I937-K941 HydrophobicContact CG2-CD 4.36Å; I937-K941 WeakPolarHBondContact O-CG 3.49Å; I937-K941 PolarHBondContact O-N 3.42Å; I937-K941 VanDerWaalsContact O-N 3.07Å
938D88.6Confident90.3Very high109 Ų10945.2 Ų45.258%0.58322%0.217SC*.Hα-helixtrans-66.9-35.5-177.5-59-42.4000112.7T936 K941 R942T936-D938 VanDerWaalsContact C-N 3.29Å; T936-D938 PolarHBondContact O-N 2.79Å; D938-K941 PolarHBondContact O-N 3.23Å; D938-R942 VanDerWaalsContact O-CB 3.29Å; D938-R942 WeakPolarHBondContact O-CB 3.09Å; D938-R942 PolarHBondContact O-N 3.13Å
939T89.8Confident89.9Confident35 Ų3548.3 Ų48.322%0.21523%0.234CC..Hα-helixtrans-67-43.2177-52.30000110.4V935 T936 I937 K941 R942 E943 A1112V935-T939 HydrophobicContact CG1-CG2 3.82Å; T936-T939 PolarHBondContact O-N 3.11Å; T936-T939 VanDerWaalsContact O-N 3.17Å; T936-T939 PolarHBondContact OG1-OG1 3.5Å; I937-T939 VanDerWaalsContact C-N 3.34Å; I937-T939 PolarHBondContact O-N 2.97Å; T939-K941 VanDerWaalsContact C-N 3.32Å; T939-K941 PolarHBondContact O-N 2.89Å; T939-R942 PolarHBondContact O-N 2.94Å; T939-E943 PolarHBondContact O-N 3.35Å; T939-A1112 HydrophobicContact CG2-CB 4.01Å
940L90.6Very high89.8Confident3 Ų348.5 Ų48.52%0.01624%0.235CC..Hα-helixtrans-63.3-36.4176.5-70.4175000112.7V866 Y870 V935 T936 I937 L946V866-L940 HydrophobicContact CG1-CD1 4.45Å; V866-L940 HydrophobicContact CG2-CB 4.16Å; Y870-L940 HydrophobicContact CD1-CD1 4.03Å; Y870-L940 HydrophobicContact CE1-CD1 3.39Å; Y870-L940 HydrophobicContact CE2-CD1 4.39Å; V935-L940 HydrophobicContact CB-CD2 4.21Å; V935-L940 HydrophobicContact CB-CG 4.21Å; V935-L940 HydrophobicContact CG1-CD2 4.01Å; V935-L940 HydrophobicContact CG1-CG 3.88Å; T936-L940 PolarHBondContact O-N 3.48Å; T936-L940 VanDerWaalsContact O-N 3.17Å; I937-L940 PolarHBondContact O-N 2.75Å; L940-L946 HydrophobicContact CD2-CB 4.36Å; L940-L946 HydrophobicContact CD2-CD1 4.04Å
941K88.4Confident89.4Confident44 Ų4449.2 Ų49.219%0.19124%0.242CC..Hα-helixtrans-70.4-37.1174.4-69.6178.2-169.6162.60112.7E384 V866 I937 D938 T939E384-K941 IonicContact OE1-NZ 3.27Å; E384-K941 PolarHBondContact OE1-NZ 3.49Å; E384-K941 WeakPolarHBondContact OE2-CE 3.46Å; E384-K941 IonicContact OE2-NZ 3.81Å; E384-K941 PolarHBondContact OE2-NZ 2.73Å; V866-K941 HydrophobicContact CG2-CG 3.7Å; I937-K941 HydrophobicContact CG2-CD 4.36Å; I937-K941 WeakPolarHBondContact O-CG 3.49Å; I937-K941 PolarHBondContact O-N 3.42Å; I937-K941 VanDerWaalsContact O-N 3.07Å; D938-K941 PolarHBondContact O-N 3.23Å; T939-K941 VanDerWaalsContact C-N 3.32Å; T939-K941 PolarHBondContact O-N 2.89Å
942R89.2Confident89.1Confident188 Ų18853.6 Ų53.671%0.70926%0.259SS*.Hα-helixtrans-76.4-35.5-177.2-174.9178.7178-175.7-1112.5D938 T939 P944D938-R942 VanDerWaalsContact O-CB 3.29Å; D938-R942 WeakPolarHBondContact O-CB 3.09Å; D938-R942 PolarHBondContact O-N 3.13Å; T939-R942 PolarHBondContact O-N 2.94Å; R942-P944 VanDerWaalsContact C-CD 3.43Å; R942-P944 VanDerWaalsContact O-CD 3.24Å; R942-P944 WeakPolarHBondContact O-CD 3.35Å
943E90.8Very high88.8Confident68 Ų6854.6 Ų54.632%0.31826%0.264SS..  trans-116.876.5-179.7-65.7-173-17900112.1T939 S945 L946 A1112T939-E943 PolarHBondContact O-N 3.35Å; E943-S945 PolarHBondContact O-N 3.49Å; E943-L946 HydrophobicContact CB-CD1 4.17Å; E943-L946 HydrophobicContact CB-CG 4.25Å; E943-L946 PolarHBondContact O-N 2.88Å; E943-A1112 WeakPolarHBondContact OE2-CB 3.34Å
944P91.8Very high88.7Confident9 Ų952.9 Ų52.96%0.05826%0.26CS..G310 helixtrans-58-21.8179.2-25.533.4000114.7S676 K679 A680 L865 R942 L946 Y947S676-P944 VanDerWaalsContact O-CB 3.22Å; S676-P944 WeakPolarHBondContact O-CB 3.35Å; K679-P944 HydrophobicContact CB-CB 4.05Å; K679-P944 HydrophobicContact CB-CG 4.4Å; A680-P944 VanDerWaalsContact CA-O 3.28Å; A680-P944 WeakPolarHBondContact CA-O 3.46Å; A680-P944 HydrophobicContact CB-CB 4.1Å; A680-P944 WeakPolarHBondContact CB-O 3.06Å; L865-P944 HydrophobicContact CD1-CB 3.82Å; L865-P944 HydrophobicContact CD1-CG 3.99Å; L865-P944 HydrophobicContact CD2-CB 4.33Å; R942-P944 VanDerWaalsContact C-CD 3.43Å; R942-P944 VanDerWaalsContact O-CD 3.24Å; R942-P944 WeakPolarHBondContact O-CD 3.35Å; P944-L946 PolarHBondContact O-N 3.26Å; P944-L946 VanDerWaalsContact O-N 3.16Å; P944-Y947 VanDerWaalsContact O-CB 3.31Å; P944-Y947 WeakPolarHBondContact O-CB 3.46Å; P944-Y947 PolarHBondContact O-N 2.74Å; P944-Y947 VanDerWaalsContact O-N 3.13Å
945S90.9Very high88.8Confident60 Ų6054.2 Ų54.242%0.4227%0.268SS..G310 helixtrans-59.8-23.9179.247.60000113.6E943 Y947 R948E943-S945 PolarHBondContact O-N 3.49Å; S945-Y947 PolarHBondContact O-N 2.93Å; S945-R948 VanDerWaalsContact O-CB 3.3Å; S945-R948 WeakPolarHBondContact O-CB 3.49Å; S945-R948 WeakPolarHBondContact O-CG 3.35Å; S945-R948 PolarHBondContact O-N 3.23Å
946L90.9Very high88.9Confident2 Ų254.3 Ų54.31%0.0127%0.268CS..G310 helixtrans-61.5-24176.9-65.1176.4000112.8L940 E943 P944 R948 D949 A1108 T1109 A1112L940-L946 HydrophobicContact CD2-CB 4.36Å; L940-L946 HydrophobicContact CD2-CD1 4.04Å; E943-L946 HydrophobicContact CB-CD1 4.17Å; E943-L946 HydrophobicContact CB-CG 4.25Å; E943-L946 PolarHBondContact O-N 2.88Å; P944-L946 PolarHBondContact O-N 3.26Å; P944-L946 VanDerWaalsContact O-N 3.16Å; L946-R948 PolarHBondContact O-N 3.07Å; L946-D949 WeakPolarHBondContact O-CB 3.42Å; L946-D949 PolarHBondContact O-N 3.5Å; L946-A1108 HydrophobicContact CD2-CB 4.05Å; L946-T1109 HydrophobicContact CD2-CG2 4.01Å; L946-A1112 HydrophobicContact CD1-CB 4.06Å; L946-A1112 HydrophobicContact CD2-CB 4.33Å
947Y91.5Very high89Confident4 Ų457 Ų572%0.01627%0.27CS..Hα-helixtrans-61.8-27.3173.9-167.9-90.9000112.5L405 G406 Q407 V408 A680 I682 L865 P944 S945 D949 I950 A951L405-Y947 PolarHBondContact O-OH 3.35Å; G406-Y947 PolarHBondContact O-OH 3.45Å; Q407-Y947 PolarHBondContact N-OH 2.89Å; V408-Y947 PolarHBondContact N-OH 3.3Å; V408-Y947 WeakPolarHBondContact O-CE1 3.25Å; V408-Y947 PolarHBondContact O-OH 3.21Å; A680-Y947 HydrophobicContact CB-CD1 4.26Å; A680-Y947 HydrophobicContact CB-CG 4.21Å; I682-Y947 HydrophobicContact CD1-CD1 4.13Å; I682-Y947 HydrophobicContact CD1-CE1 3.8Å; I682-Y947 HydrophobicContact CG1-CD1 4.2Å; I682-Y947 HydrophobicContact CG1-CE1 3.95Å; L865-Y947 HydrophobicContact CD2-CD2 4.07Å; L865-Y947 HydrophobicContact CD2-CG 4.19Å; P944-Y947 VanDerWaalsContact O-CB 3.31Å; P944-Y947 WeakPolarHBondContact O-CB 3.46Å; P944-Y947 PolarHBondContact O-N 2.74Å; P944-Y947 VanDerWaalsContact O-N 3.13Å; S945-Y947 PolarHBondContact O-N 2.93Å; Y947-D949 PolarHBondContact O-N 3.03Å; Y947-I950 HydrophobicContact CD2-CD1 4.12Å; Y947-I950 HydrophobicContact CE2-CD1 4.23Å; Y947-I950 WeakPolarHBondContact O-CG1 3.28Å; Y947-I950 PolarHBondContact O-N 3.32Å; Y947-A951 PolarHBondContact O-N 3.49Å
948R88.7Confident89.1Confident165 Ų16560.7 Ų60.762%0.62328%0.28SS*.Hα-helixtrans-67.5-25.8179.5-62176.766.6165.8-0.2112.7A680 S945 L946 I950A680-R948 WeakPolarHBondContact O-CG 3.41Å; S945-R948 VanDerWaalsContact O-CB 3.3Å; S945-R948 WeakPolarHBondContact O-CB 3.49Å; S945-R948 WeakPolarHBondContact O-CG 3.35Å; S945-R948 PolarHBondContact O-N 3.23Å; L946-R948 PolarHBondContact O-N 3.07Å; R948-I950 VanDerWaalsContact C-N 3.3Å
949D86.2Confident89.3Confident69 Ų6960 Ų6037%0.36928%0.282SS..Hα-helixtrans-70.2-31.1-179.6-67.6-11000111.7L946 Y947 S954 A1108L946-D949 WeakPolarHBondContact O-CB 3.42Å; L946-D949 PolarHBondContact O-N 3.5Å; Y947-D949 PolarHBondContact O-N 3.03Å; D949-S954 WeakPolarHBondContact O-CB 3.36Å; D949-S954 PolarHBondContact O-OG 3.37Å; D949-A1108 WeakPolarHBondContact OD2-CB 3.23Å
950I89.2Confident89.4Confident5 Ų560.5 Ų60.53%0.02629%0.285CS..Hα-helixtrans-91.8-18.5-179.862.1161.6000113.5G406 Q407 H869 Y872 I873 Y947 R948G406-I950 VanDerWaalsContact O-CD1 3.23Å; G406-I950 WeakPolarHBondContact O-CD1 2.89Å; Q407-I950 PolarHBondContact NE2-O 2.98Å; H869-I950 HydrophobicContact CB-CD1 3.97Å; H869-I950 VanDerWaalsContact ND1-CD1 3.27Å; H869-I950 WeakPolarHBondContact ND1-CD1 3.4Å; Y872-I950 HydrophobicContact CD1-CB 3.59Å; Y872-I950 HydrophobicContact CD1-CD1 4.21Å; Y872-I950 HydrophobicContact CD1-CG1 4.47Å; Y872-I950 HydrophobicContact CD1-CG2 3.93Å; Y872-I950 HydrophobicContact CE1-CB 3.82Å; Y872-I950 HydrophobicContact CE1-CG2 4.23Å; I873-I950 HydrophobicContact CD1-CG2 3.76Å; I873-I950 HydrophobicContact CG1-CG2 3.86Å; Y947-I950 HydrophobicContact CD2-CD1 4.12Å; Y947-I950 HydrophobicContact CE2-CD1 4.23Å; Y947-I950 WeakPolarHBondContact O-CG1 3.28Å; Y947-I950 PolarHBondContact O-N 3.32Å; R948-I950 VanDerWaalsContact C-N 3.3Å
951A84.7Confident89.5Confident24 Ų2460.5 Ų60.520%0.19829%0.285CS..THydrogen-bonded Turntrans-58.6156.2-178.200000112.7Y947 N953Y947-A951 PolarHBondContact O-N 3.49Å; A951-N953 PolarHBondContact O-N 3.25Å
952K84.9Confident89.8Confident117 Ų11763 Ų6351%0.50930%0.3SS..THydrogen-bonded Turntrans55.441.3-179.6-57.2-177.2179.4-171.30112.8E409 S954 R957E409-K952 WeakPolarHBondContact OE2-CE 3.36Å; K952-S954 VanDerWaalsContact C-N 3.32Å; K952-S954 PolarHBondContact O-N 3.44Å; K952-R957 PolarHBondContact O-NE 3.2Å; K952-R957 PolarHBondContact O-NH2 2.87Å
953N86.1Confident90Very high24 Ų2457.2 Ų57.213%0.12828%0.278CS..THydrogen-bonded Turntrans48.747.3173-163.119000113.7S292 Y872 A951 L955 L956 R957S292-N953 PolarHBondContact OG-ND2 3.33Å; Y872-N953 VanDerWaalsContact CE2-OD1 3.25Å; Y872-N953 WeakPolarHBondContact CE2-OD1 3.42Å; Y872-N953 WeakPolarHBondContact OH-CA 3.04Å; Y872-N953 PolarHBondContact OH-O 3.35Å; Y872-N953 PolarHBondContact OH-OD1 3.44Å; A951-N953 PolarHBondContact O-N 3.25Å; N953-L955 PolarHBondContact O-N 3.37Å; N953-L956 PolarHBondContact O-N 3.38Å; N953-L956 WeakPolarHBondContact OD1-CB 3.35Å; N953-R957 VanDerWaalsContact O-CG 3.26Å; N953-R957 WeakPolarHBondContact O-CG 3.25Å; N953-R957 PolarHBondContact O-N 3.04Å
954S87.7Confident90.1Very high30 Ų3055.4 Ų55.421%0.2127%0.269CS..G310 helixtrans-59.3-38.3-169.362.60000114.3Y872 D949 K952 R957Y872-S954 PolarHBondContact OH-N 2.92Å; D949-S954 WeakPolarHBondContact O-CB 3.36Å; D949-S954 PolarHBondContact O-OG 3.37Å; K952-S954 VanDerWaalsContact C-N 3.32Å; K952-S954 PolarHBondContact O-N 3.44Å; S954-R957 WeakPolarHBondContact O-CG 3.35Å
955L88.3Confident90.2Very high54 Ų5456 Ų5628%0.28327%0.272SS..G310 helixtrans-79.6-20.6-176.3-67.8175.7000114.2Y872 I873 A876 Q880 N953 V960Y872-L955 HydrophobicContact CD1-CD1 4.41Å; Y872-L955 HydrophobicContact CE1-CB 4.13Å; Y872-L955 HydrophobicContact CE1-CD1 3.91Å; Y872-L955 HydrophobicContact CE1-CG 4.1Å; Y872-L955 PolarHBondContact OH-N 2.89Å; I873-L955 HydrophobicContact CB-CD1 4.37Å; I873-L955 HydrophobicContact CG1-CD1 3.84Å; I873-L955 HydrophobicContact CG2-CD1 4.45Å; A876-L955 HydrophobicContact CB-CB 3.7Å; A876-L955 HydrophobicContact CB-CD1 4.02Å; Q880-L955 PolarHBondContact NE2-O 3.38Å; N953-L955 PolarHBondContact O-N 3.37Å; L955-V960 WeakPolarHBondContact O-CG1 3.31Å
956L90.4Very high90.5Very high7 Ų757.1 Ų57.14%0.03728%0.279CS..G310 helixtrans-107.125.3176.7-58.8168.4000111.9V289 F296 A876 V879 Q880 N953V289-L956 HydrophobicContact CB-CD1 4.16Å; V289-L956 HydrophobicContact CG1-CD1 3.7Å; V289-L956 HydrophobicContact CG2-CD1 3.84Å; F296-L956 HydrophobicContact CE2-CB 4.41Å; F296-L956 HydrophobicContact CE2-CD2 4.14Å; F296-L956 HydrophobicContact CZ-CB 4.42Å; F296-L956 WeakPolarHBondContact CZ-O 3.36Å; A876-L956 HydrophobicContact CB-CD1 4.26Å; A876-L956 HydrophobicContact CB-CD2 4.13Å; A876-L956 HydrophobicContact CB-CG 3.91Å; V879-L956 HydrophobicContact CB-CD2 4.25Å; V879-L956 HydrophobicContact CG1-CD2 4.21Å; Q880-L956 HydrophobicContact CG-CD2 4.03Å; N953-L956 PolarHBondContact O-N 3.38Å; N953-L956 WeakPolarHBondContact OD1-CB 3.35Å
957R91.5Very high90.6Very high125 Ų12557.7 Ų57.747%0.47228%0.282SS..SBendtrans-75.4156.7169.8-64.6-171.5179.2175.74.4111.5K952 N953 S954 P959 V960 F961K952-R957 PolarHBondContact O-NE 3.2Å; K952-R957 PolarHBondContact O-NH2 2.87Å; N953-R957 VanDerWaalsContact O-CG 3.26Å; N953-R957 WeakPolarHBondContact O-CG 3.25Å; N953-R957 PolarHBondContact O-N 3.04Å; S954-R957 WeakPolarHBondContact O-CG 3.35Å; R957-P959 VanDerWaalsContact C-CD 3.46Å; R957-V960 PolarHBondContact O-N 2.86Å; R957-V960 VanDerWaalsContact O-N 3.17Å; R957-F961 PolarHBondContact O-N 3.48Å; R957-F961 VanDerWaalsContact O-N 3.08Å
958W91.5Very high90.8Very high132 Ų13257.5 Ų57.550%0.528%0.281SS..Hα-helixtrans-50.1-43.3178.7-68.9112.2000115.3A295 F296 V299 V960 F961 L962A295-W958 HydrophobicContact CB-CH2 4.48Å; A295-W958 HydrophobicContact CB-CZ2 4.47Å; F296-W958 HydrophobicContact CD1-CE3 4.38Å; F296-W958 HydrophobicContact CD1-CH2 4.05Å; F296-W958 AromaticContact CD1-CZ3 3.79Å; F296-W958 HydrophobicContact CD1-CZ3 3.79Å; F296-W958 HydrophobicContact CE1-CD2 4.5Å; F296-W958 HydrophobicContact CE1-CE3 4.03Å; F296-W958 HydrophobicContact CE1-CH2 4.27Å; F296-W958 AromaticContact CE1-CZ3 3.9Å; F296-W958 HydrophobicContact CE1-CZ3 3.9Å; V299-W958 HydrophobicContact CG2-CH2 3.77Å; V299-W958 HydrophobicContact CG2-CZ3 3.87Å; W958-V960 PolarHBondContact O-N 3.37Å; W958-F961 AromaticContact CE3-CD1 3.97Å; W958-F961 HydrophobicContact CE3-CD1 3.97Å; W958-F961 HydrophobicContact CE3-CE1 4.47Å; W958-F961 HydrophobicContact CZ3-CD1 4.05Å; W958-F961 HydrophobicContact CZ3-CE1 4.13Å; W958-F961 PolarHBondContact O-N 2.94Å; W958-L962 WeakPolarHBondContact O-CB 3.36Å; W958-L962 VanDerWaalsContact O-CG 3.28Å; W958-L962 WeakPolarHBondContact O-CG 3.33Å; W958-L962 PolarHBondContact O-N 3.36Å
959P92.6Very high91.2Very high94 Ų9452 Ų5261%0.6127%0.266SS*.Hα-helixtrans-64.8-39.1-179.4-22.835.2000113.2R957 Y963R957-P959 VanDerWaalsContact C-CD 3.46Å; P959-Y963 PolarHBondContact O-N 2.98Å
960V91.9Very high91.7Very high46 Ų4652.8 Ų52.828%0.27927%0.266SS..Hα-helixtrans-67.8-47.1178.4-178.10000109.4L955 R957 W958 L962 Y963 W964L955-V960 WeakPolarHBondContact O-CG1 3.31Å; R957-V960 PolarHBondContact O-N 2.86Å; R957-V960 VanDerWaalsContact O-N 3.17Å; W958-V960 PolarHBondContact O-N 3.37Å; V960-L962 PolarHBondContact O-N 3.06Å; V960-Y963 WeakPolarHBondContact O-CB 3.15Å; V960-Y963 PolarHBondContact O-N 3.27Å; V960-W964 PolarHBondContact O-N 3.12Å; V960-W964 VanDerWaalsContact O-N 3.09Å
961F92.5Very high92Very high3 Ų352.7 Ų52.71%0.01327%0.266CS..Hα-helixtrans-55.4-49.8175.2173.1-103.4000112.6F296 V299 Y300 F883 R957 W958 Y963 W964 T965F296-F961 HydrophobicContact CB-CD2 4.35Å; F296-F961 HydrophobicContact CB-CE2 3.66Å; F296-F961 HydrophobicContact CB-CZ 3.88Å; F296-F961 HydrophobicContact CD1-CD1 4.01Å; F296-F961 AromaticContact CD1-CD2 3.77Å; F296-F961 HydrophobicContact CD1-CD2 3.77Å; F296-F961 HydrophobicContact CD1-CE1 4.07Å; F296-F961 AromaticContact CD1-CE2 3.82Å; F296-F961 HydrophobicContact CD1-CE2 3.82Å; F296-F961 AromaticContact CD1-CG 3.85Å; F296-F961 HydrophobicContact CD1-CG 3.85Å; F296-F961 AromaticContact CD1-CZ 3.96Å; F296-F961 HydrophobicContact CD1-CZ 3.96Å; F296-F961 AromaticContact CD2-CD2 3.63Å; F296-F961 HydrophobicContact CD2-CD2 3.63Å; F296-F961 AromaticContact CD2-CE2 3.77Å; F296-F961 HydrophobicContact CD2-CE2 3.77Å; F296-F961 HydrophobicContact CD2-CG 4.39Å; F296-F961 HydrophobicContact CE1-CB 3.87Å; F296-F961 HydrophobicContact CE1-CD1 4.02Å; F296-F961 AromaticContact CE1-CD2 3.87Å; F296-F961 HydrophobicContact CE1-CD2 3.87Å; F296-F961 HydrophobicContact CE1-CE2 4.38Å; F296-F961 AromaticContact CE1-CG 3.64Å; F296-F961 HydrophobicContact CE1-CG 3.64Å; F296-F961 HydrophobicContact CE2-CB 4.32Å; F296-F961 AromaticContact CE2-CD2 3.71Å; F296-F961 HydrophobicContact CE2-CD2 3.71Å; F296-F961 HydrophobicContact CE2-CE2 4.32Å; F296-F961 HydrophobicContact CE2-CG 4.2Å; F296-F961 AromaticContact CG-CD2 3.66Å; F296-F961 HydrophobicContact CG-CD2 3.66Å; F296-F961 HydrophobicContact CG-CE1 4.49Å; F296-F961 AromaticContact CG-CE2 3.48Å; F296-F961 HydrophobicContact CG-CE2 3.48Å; F296-F961 VanDerWaalsContact CG-CE2 3.48Å; F296-F961 HydrophobicContact CG-CG 4.23Å; F296-F961 AromaticContact CG-CZ 3.93Å; F296-F961 HydrophobicContact CG-CZ 3.93Å; F296-F961 HydrophobicContact CZ-CB 3.72Å; F296-F961 AromaticContact CZ-CD2 3.82Å; F296-F961 HydrophobicContact CZ-CD2 3.82Å; F296-F961 AromaticContact CZ-CG 3.81Å; F296-F961 HydrophobicContact CZ-CG 3.81Å; V299-F961 HydrophobicContact CG1-CE1 4.44Å; Y300-F961 HydrophobicContact CD2-CE2 4.39Å; Y300-F961 AromaticContact CD2-CZ 3.96Å; Y300-F961 HydrophobicContact CD2-CZ 3.96Å; Y300-F961 AromaticContact CE2-CE2 3.61Å; Y300-F961 HydrophobicContact CE2-CE2 3.61Å; Y300-F961 AromaticContact CE2-CZ 3.37Å; Y300-F961 HydrophobicContact CE2-CZ 3.37Å; F883-F961 HydrophobicContact CD2-CE2 4.22Å; F883-F961 HydrophobicContact CG-CE2 4.37Å; R957-F961 PolarHBondContact O-N 3.48Å; R957-F961 VanDerWaalsContact O-N 3.08Å; W958-F961 AromaticContact CE3-CD1 3.97Å; W958-F961 HydrophobicContact CE3-CD1 3.97Å; W958-F961 HydrophobicContact CE3-CE1 4.47Å; W958-F961 HydrophobicContact CZ3-CD1 4.05Å; W958-F961 HydrophobicContact CZ3-CE1 4.13Å; W958-F961 PolarHBondContact O-N 2.94Å; F961-Y963 VanDerWaalsContact C-N 3.31Å; F961-Y963 PolarHBondContact O-N 2.92Å; F961-W964 PolarHBondContact O-N 3.45Å; F961-T965 PolarHBondContact O-N 3.42Å; F961-T965 PolarHBondContact O-OG1 2.7Å; F961-T965 VanDerWaalsContact O-OG1 3.14Å
962L93.7Very high92.6Very high97 Ų9751.5 Ų51.551%0.50826%0.256SS..Hα-helixtrans-61-39177.9-73.3170.4000112.1W958 V960 T965 C966W958-L962 WeakPolarHBondContact O-CB 3.36Å; W958-L962 VanDerWaalsContact O-CG 3.28Å; W958-L962 WeakPolarHBondContact O-CG 3.33Å; W958-L962 PolarHBondContact O-N 3.36Å; V960-L962 PolarHBondContact O-N 3.06Å; L962-T965 PolarHBondContact O-N 3.36Å; L962-C966 WeakPolarHBondContact O-CB 3.44Å; L962-C966 PolarHBondContact O-N 3.29Å; L962-C966 PolarHBondContact O-SG 2.9Å
963Y93.5Very high93.1Very high66 Ų6648.2 Ų48.226%0.25925%0.246SC..Hα-helixtrans-57.7-50.1174.1167.6-95.3000111.6P959 V960 F961 T965 C966 L967 D1094 K1097P959-Y963 PolarHBondContact O-N 2.98Å; V960-Y963 WeakPolarHBondContact O-CB 3.15Å; V960-Y963 PolarHBondContact O-N 3.27Å; F961-Y963 VanDerWaalsContact C-N 3.31Å; F961-Y963 PolarHBondContact O-N 2.92Å; Y963-T965 VanDerWaalsContact C-N 3.34Å; Y963-T965 PolarHBondContact O-N 3.28Å; Y963-C966 PolarHBondContact O-N 3.29Å; Y963-L967 HydrophobicContact CE1-CD2 4.23Å; Y963-L967 WeakPolarHBondContact O-CB 3.06Å; Y963-L967 PolarHBondContact O-N 3.18Å; Y963-D1094 PolarHBondContact OH-OD1 2.78Å; Y963-D1094 VanDerWaalsContact OH-OD1 3.11Å; Y963-K1097 HydrophobicContact CE2-CD 3.81Å; Y963-K1097 WeakPolarHBondContact OH-CD 3.45Å; Y963-K1097 PolarHBondContact OH-NZ 3.24Å
964W94.5Very high93.6Very high31 Ų3148.9 Ų48.912%0.11725%0.249CC..Hα-helixtrans-63.2-38.9179-77.899.9000112.3Q880 Y884 V960 F961 G968 D1027Q880-W964 HydrophobicContact CB-CD2 4.12Å; Q880-W964 HydrophobicContact CB-CG 4.05Å; Y884-W964 HydrophobicContact CD1-CE3 4.37Å; Y884-W964 HydrophobicContact CD1-CZ3 4.28Å; Y884-W964 HydrophobicContact CD2-CE3 4.2Å; Y884-W964 AromaticContact CG-CE3 3.84Å; Y884-W964 HydrophobicContact CG-CE3 3.84Å; Y884-W964 HydrophobicContact CG-CZ3 4.21Å; V960-W964 PolarHBondContact O-N 3.12Å; V960-W964 VanDerWaalsContact O-N 3.09Å; F961-W964 PolarHBondContact O-N 3.45Å; W964-G968 PolarHBondContact O-N 3.1Å; W964-D1027 WeakPolarHBondContact CH2-OD2 3.37Å
965T94.3Very high94Very high20 Ų2047.4 Ų47.412%0.12324%0.239CC..Hα-helixtrans-64.2-46.2174.5-54.20000111.7Y300 V887 F961 L962 Y963 G968 V969Y300-T965 PolarHBondContact OH-OG1 3.35Å; V887-T965 HydrophobicContact CG2-CG2 4.45Å; F961-T965 PolarHBondContact O-N 3.42Å; F961-T965 PolarHBondContact O-OG1 2.7Å; F961-T965 VanDerWaalsContact O-OG1 3.14Å; L962-T965 PolarHBondContact O-N 3.36Å; Y963-T965 VanDerWaalsContact C-N 3.34Å; Y963-T965 PolarHBondContact O-N 3.28Å; T965-G968 PolarHBondContact O-N 3.34Å; T965-V969 WeakPolarHBondContact O-CG2 3.34Å; T965-V969 PolarHBondContact O-N 2.89Å
966C95.1Very high94.3Very high85 Ų8544.9 Ų44.957%0.57423%0.226SC*.Hα-helixtrans-64-40.5178-73.20000112.1L962 Y963 G968 V969 F970L962-C966 WeakPolarHBondContact O-CB 3.44Å; L962-C966 PolarHBondContact O-N 3.29Å; L962-C966 PolarHBondContact O-SG 2.9Å; Y963-C966 PolarHBondContact O-N 3.29Å; C966-G968 VanDerWaalsContact C-N 3.33Å; C966-G968 PolarHBondContact O-N 3.23Å; C966-V969 PolarHBondContact O-N 3.43Å; C966-F970 PolarHBondContact O-N 2.88Å
967L95Very high94.5Very high14 Ų1447.6 Ų47.67%0.07324%0.237CC..Hα-helixtrans-59.7-45173.9-176.665.2000110.8Y884 Y963 V969 F970 D971Y884-L967 HydrophobicContact CD2-CB 4.48Å; Y884-L967 HydrophobicContact CD2-CD2 4.43Å; Y884-L967 HydrophobicContact CD2-CG 4.39Å; Y884-L967 HydrophobicContact CE2-CB 4.39Å; Y884-L967 HydrophobicContact CE2-CD2 4.05Å; Y884-L967 HydrophobicContact CE2-CG 3.88Å; Y963-L967 HydrophobicContact CE1-CD2 4.23Å; Y963-L967 WeakPolarHBondContact O-CB 3.06Å; Y963-L967 PolarHBondContact O-N 3.18Å; L967-V969 VanDerWaalsContact C-N 3.33Å; L967-V969 PolarHBondContact O-N 3.39Å; L967-F970 WeakPolarHBondContact O-CB 3.5Å; L967-F970 PolarHBondContact O-N 3.06Å; L967-D971 PolarHBondContact O-N 3.36Å
968G95.8Very high94.5Very high0 Ų042.7 Ų42.70%023%0.225CC..Hα-helixtrans-65.4-34.4178.100000113.9C888 W964 T965 C966 A972C888-G968 WeakPolarHBondContact SG-CA 3.31Å; W964-G968 PolarHBondContact O-N 3.1Å; T965-G968 PolarHBondContact O-N 3.34Å; C966-G968 VanDerWaalsContact C-N 3.33Å; C966-G968 PolarHBondContact O-N 3.23Å; G968-A972 VanDerWaalsContact O-CB 3.28Å; G968-A972 WeakPolarHBondContact O-CB 3.38Å; G968-A972 PolarHBondContact O-N 2.88Å
969V96Very high94.5Very high49 Ų4936.4 Ų36.430%0.29720%0.201SC..Hα-helixtrans-67.1-43.1172.31720000110.8V887 F891 T965 C966 L967 A972 V973V887-V969 HydrophobicContact CG1-CG2 3.77Å; F891-V969 HydrophobicContact CD1-CG1 4.49Å; F891-V969 HydrophobicContact CD2-CG2 4.22Å; F891-V969 HydrophobicContact CE1-CG1 3.98Å; F891-V969 HydrophobicContact CE2-CG1 4.12Å; F891-V969 HydrophobicContact CE2-CG2 4.24Å; F891-V969 HydrophobicContact CZ-CG1 3.79Å; T965-V969 WeakPolarHBondContact O-CG2 3.34Å; T965-V969 PolarHBondContact O-N 2.89Å; C966-V969 PolarHBondContact O-N 3.43Å; L967-V969 VanDerWaalsContact C-N 3.33Å; L967-V969 PolarHBondContact O-N 3.39Å; V969-A972 PolarHBondContact O-N 2.86Å; V969-V973 HydrophobicContact CG1-CG2 4.41Å; V969-V973 VanDerWaalsContact O-CG2 3.25Å; V969-V973 WeakPolarHBondContact O-CG2 3.48Å; V969-V973 PolarHBondContact O-N 2.87Å
970F96.2Very high94.3Very high85 Ų8535.9 Ų35.937%0.37319%0.188SC..Hα-helixtrans-58.4-51.9176.7171.9-93.8000111.3C966 L967 A972 V973 I974 P1093C966-F970 PolarHBondContact O-N 2.88Å; L967-F970 WeakPolarHBondContact O-CB 3.5Å; L967-F970 PolarHBondContact O-N 3.06Å; F970-A972 VanDerWaalsContact C-N 3.33Å; F970-A972 PolarHBondContact O-N 2.89Å; F970-V973 WeakPolarHBondContact O-CB 3.26Å; F970-V973 PolarHBondContact O-N 2.69Å; F970-V973 VanDerWaalsContact O-N 3.15Å; F970-I974 HydrophobicContact CD1-CG1 4.48Å; F970-I974 HydrophobicContact CE1-CG1 4Å; F970-I974 HydrophobicContact CE2-CD1 4.38Å; F970-I974 HydrophobicContact CE2-CG1 4.29Å; F970-I974 HydrophobicContact CZ-CD1 4.2Å; F970-I974 HydrophobicContact CZ-CG1 3.91Å; F970-I974 WeakPolarHBondContact O-CG1 3.4Å; F970-I974 PolarHBondContact O-N 3.42Å; F970-P1093 HydrophobicContact CD1-CG 4.43Å; F970-P1093 HydrophobicContact CE1-CG 3.62Å; F970-P1093 HydrophobicContact CZ-CG 3.93Å
971D96.5Very high94.2Very high3 Ų339.8 Ų39.82%0.01620%0.201CC..Hα-helixtrans-60.7-43.1179.5-69.7-20.9000111.4Y884 L967 V973 I974 F975Y884-D971 VanDerWaalsContact CE2-OD2 3.27Å; Y884-D971 WeakPolarHBondContact CE2-OD2 3.45Å; Y884-D971 VanDerWaalsContact CZ-OD2 3.3Å; Y884-D971 PolarHBondContact OH-OD2 3.45Å; L967-D971 PolarHBondContact O-N 3.36Å; D971-V973 VanDerWaalsContact C-N 3.33Å; D971-V973 PolarHBondContact O-N 2.96Å; D971-I974 PolarHBondContact O-N 3.04Å; D971-I974 VanDerWaalsContact O-N 3.17Å; D971-F975 HydrophobicContact CB-CE1 4.31Å; D971-F975 HydrophobicContact CB-CE2 4.05Å; D971-F975 HydrophobicContact CB-CZ 3.76Å; D971-F975 VanDerWaalsContact O-CD1 3.24Å; D971-F975 WeakPolarHBondContact O-CD1 3.25Å; D971-F975 WeakPolarHBondContact O-CD2 3.37Å; D971-F975 WeakPolarHBondContact O-CG 3.4Å; D971-F975 PolarHBondContact O-N 3Å
972A96.3Very high93.7Very high0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-60.6-39175.800000114F891 P892 G968 V969 F970 F975 F976F891-A972 HydrophobicContact CB-CB 3.6Å; F891-A972 HydrophobicContact CD1-CB 3.71Å; F891-A972 HydrophobicContact CG-CB 4.02Å; P892-A972 HydrophobicContact CG-CB 3.94Å; G968-A972 VanDerWaalsContact O-CB 3.28Å; G968-A972 WeakPolarHBondContact O-CB 3.38Å; G968-A972 PolarHBondContact O-N 2.88Å; V969-A972 PolarHBondContact O-N 2.86Å; F970-A972 VanDerWaalsContact C-N 3.33Å; F970-A972 PolarHBondContact O-N 2.89Å; A972-F975 PolarHBondContact O-N 3.18Å; A972-F976 WeakPolarHBondContact O-CB 3.32Å; A972-F976 PolarHBondContact O-N 3.39Å
973V96.4Very high93Very high48 Ų4839.3 Ų39.329%0.29120%0.196SC..Hα-helixtrans-63.8-43.8175.5166.40000109.8F891 L895 V969 F970 D971 F976 F977F891-V973 HydrophobicContact CD1-CG2 4.36Å; F891-V973 HydrophobicContact CE1-CG2 3.75Å; L895-V973 HydrophobicContact CD1-CG2 4.33Å; V969-V973 HydrophobicContact CG1-CG2 4.41Å; V969-V973 VanDerWaalsContact O-CG2 3.25Å; V969-V973 WeakPolarHBondContact O-CG2 3.48Å; V969-V973 PolarHBondContact O-N 2.87Å; F970-V973 WeakPolarHBondContact O-CB 3.26Å; F970-V973 PolarHBondContact O-N 2.69Å; F970-V973 VanDerWaalsContact O-N 3.15Å; D971-V973 VanDerWaalsContact C-N 3.33Å; D971-V973 PolarHBondContact O-N 2.96Å; V973-F976 PolarHBondContact O-N 3.49Å; V973-F977 HydrophobicContact CG1-CD2 3.73Å; V973-F977 HydrophobicContact CG1-CE2 4.21Å; V973-F977 WeakPolarHBondContact O-CB 3.44Å; V973-F977 WeakPolarHBondContact O-CD2 3.33Å; V973-F977 PolarHBondContact O-N 3.25Å
974I96.1Very high92.1Very high37 Ų3741.6 Ų41.619%0.1921%0.213CC..Hα-helixtrans-63.1-44.5175.9-63.3-60.1000111.3F970 D971 F976 G978 L1086 V1089 S1090F970-I974 HydrophobicContact CD1-CG1 4.48Å; F970-I974 HydrophobicContact CE1-CG1 4Å; F970-I974 HydrophobicContact CE2-CD1 4.38Å; F970-I974 HydrophobicContact CE2-CG1 4.29Å; F970-I974 HydrophobicContact CZ-CD1 4.2Å; F970-I974 HydrophobicContact CZ-CG1 3.91Å; F970-I974 WeakPolarHBondContact O-CG1 3.4Å; F970-I974 PolarHBondContact O-N 3.42Å; D971-I974 PolarHBondContact O-N 3.04Å; D971-I974 VanDerWaalsContact O-N 3.17Å; I974-F976 PolarHBondContact O-N 3.19Å; I974-G978 VanDerWaalsContact O-CA 3.22Å; I974-G978 WeakPolarHBondContact O-CA 3.25Å; I974-G978 PolarHBondContact O-N 2.99Å; I974-L1086 HydrophobicContact CG2-CD2 4.02Å; I974-V1089 HydrophobicContact CD1-CG1 4.27Å; I974-V1089 HydrophobicContact CG2-CG1 4.15Å; I974-S1090 WeakPolarHBondContact CG2-OG 3.34Å
975F95.2Very high90.7Very high0 Ų045.2 Ų45.20%024%0.235CC..Hα-helixtrans-59.4-47.6178.4-56-24.9000111.7C888 D971 A972 A979 I1012 V1015 L1016 T1019 S1090C888-F975 HydrophobicContact CB-CE2 4.1Å; D971-F975 HydrophobicContact CB-CE1 4.31Å; D971-F975 HydrophobicContact CB-CE2 4.05Å; D971-F975 HydrophobicContact CB-CZ 3.76Å; D971-F975 VanDerWaalsContact O-CD1 3.24Å; D971-F975 WeakPolarHBondContact O-CD1 3.25Å; D971-F975 WeakPolarHBondContact O-CD2 3.37Å; D971-F975 WeakPolarHBondContact O-CG 3.4Å; D971-F975 PolarHBondContact O-N 3Å; A972-F975 PolarHBondContact O-N 3.18Å; F975-A979 WeakPolarHBondContact O-CB 3.41Å; F975-A979 PolarHBondContact O-N 3.27Å; F975-I1012 HydrophobicContact CB-CG2 4.14Å; F975-V1015 HydrophobicContact CD1-CB 4.46Å; F975-V1015 HydrophobicContact CD1-CG1 3.44Å; F975-V1015 VanDerWaalsContact CD1-CG1 3.44Å; F975-V1015 HydrophobicContact CE1-CG1 3.74Å; F975-V1015 HydrophobicContact CG-CG1 4.27Å; F975-L1016 HydrophobicContact CD2-CB 4.32Å; F975-L1016 HydrophobicContact CD2-CD1 4.11Å; F975-L1016 HydrophobicContact CE2-CB 4.29Å; F975-L1016 HydrophobicContact CE2-CD1 3.63Å; F975-T1019 HydrophobicContact CE1-CG2 3.87Å; F975-T1019 WeakPolarHBondContact CE1-OG1 3.39Å; F975-T1019 HydrophobicContact CZ-CG2 3.65Å; F975-S1090 VanDerWaalsContact CE1-OG 3.3Å; F975-S1090 WeakPolarHBondContact CE1-OG 3.42Å
976F95.6Very high88.8Confident1 Ų151 Ų510%0.00427%0.27CS..Hα-helixtrans-72.4-57.3-175.8-175.5-92.1000112.2P892 L895 Y896 F899 A972 V973 I974 G978 A979 Y980 F1008 I1012P892-F976 HydrophobicContact CB-CB 4.16Å; P892-F976 HydrophobicContact CB-CD2 4.23Å; L895-F976 HydrophobicContact CB-CD1 3.79Å; L895-F976 HydrophobicContact CB-CD2 4.1Å; L895-F976 HydrophobicContact CB-CE1 4.02Å; L895-F976 HydrophobicContact CB-CE2 4.3Å; L895-F976 HydrophobicContact CB-CG 3.84Å; L895-F976 HydrophobicContact CB-CZ 4.27Å; L895-F976 HydrophobicContact CD1-CB 3.74Å; L895-F976 HydrophobicContact CD1-CD1 3.95Å; L895-F976 HydrophobicContact CD1-CG 3.9Å; Y896-F976 AromaticContact CD2-CE2 3.96Å; Y896-F976 HydrophobicContact CD2-CE2 3.96Å; Y896-F976 HydrophobicContact CD2-CZ 4.35Å; Y896-F976 HydrophobicContact CG-CE2 4.35Å; F899-F976 AromaticContact CD2-CE1 3.71Å; F899-F976 HydrophobicContact CD2-CE1 3.71Å; F899-F976 AromaticContact CD2-CZ 3.47Å; F899-F976 HydrophobicContact CD2-CZ 3.47Å; F899-F976 VanDerWaalsContact CD2-CZ 3.47Å; F899-F976 HydrophobicContact CE2-CD1 4.48Å; F899-F976 AromaticContact CE2-CE1 3.3Å; F899-F976 HydrophobicContact CE2-CE1 3.3Å; F899-F976 AromaticContact CE2-CZ 3.61Å; F899-F976 HydrophobicContact CE2-CZ 3.61Å; F899-F976 HydrophobicContact CG-CZ 4.35Å; F899-F976 HydrophobicContact CZ-CE1 4.02Å; A972-F976 WeakPolarHBondContact O-CB 3.32Å; A972-F976 PolarHBondContact O-N 3.39Å; V973-F976 PolarHBondContact O-N 3.49Å; I974-F976 PolarHBondContact O-N 3.19Å; F976-G978 VanDerWaalsContact C-N 3.34Å; F976-G978 PolarHBondContact O-N 3.12Å; F976-A979 PolarHBondContact O-N 2.98Å; F976-Y980 WeakPolarHBondContact O-CB 3.37Å; F976-Y980 PolarHBondContact O-N 3.43Å; F976-F1008 HydrophobicContact CD2-CE1 4.46Å; F976-F1008 HydrophobicContact CD2-CZ 4.45Å; F976-F1008 AromaticContact CE2-CE1 3.96Å; F976-F1008 HydrophobicContact CE2-CE1 3.96Å; F976-F1008 HydrophobicContact CE2-CZ 4.11Å; F976-F1008 HydrophobicContact CZ-CZ 4.48Å; F976-I1012 HydrophobicContact CD2-CD1 3.96Å
977F94.9Very high86.9Confident64 Ų6452.3 Ų52.328%0.28128%0.276SS..Hα-helixtrans-71.4-32.2-176.5-74.2-72.5000112.2L895 F899 V973 Y980 F981L895-F977 HydrophobicContact CD1-CD2 4.45Å; L895-F977 HydrophobicContact CD1-CE2 4.05Å; L895-F977 HydrophobicContact CD2-CE2 4.38Å; F899-F977 HydrophobicContact CZ-CE1 4.12Å; V973-F977 HydrophobicContact CG1-CD2 3.73Å; V973-F977 HydrophobicContact CG1-CE2 4.21Å; V973-F977 WeakPolarHBondContact O-CB 3.44Å; V973-F977 WeakPolarHBondContact O-CD2 3.33Å; V973-F977 PolarHBondContact O-N 3.25Å; F977-Y980 PolarHBondContact O-N 3.24Å; F977-F981 HydrophobicContact CB-CD2 4.36Å; F977-F981 HydrophobicContact CB-CE2 3.97Å; F977-F981 HydrophobicContact CD1-CZ 4.49Å; F977-F981 WeakPolarHBondContact O-CD2 3.25Å; F977-F981 WeakPolarHBondContact O-CG 3.17Å; F977-F981 PolarHBondContact O-N 3.46Å
978G91.5Very high85Confident21 Ų2152.9 Ų52.922%0.21628%0.278CS..Hα-helixtrans-59.7-46172.400000112.4I974 F976 L982I974-G978 VanDerWaalsContact O-CA 3.22Å; I974-G978 WeakPolarHBondContact O-CA 3.25Å; I974-G978 PolarHBondContact O-N 2.99Å; F976-G978 VanDerWaalsContact C-N 3.34Å; F976-G978 PolarHBondContact O-N 3.12Å; G978-L982 WeakPolarHBondContact O-CB 3.48Å; G978-L982 PolarHBondContact O-N 3.15Å
979A90.1Very high83.1Confident0 Ų056.9 Ų56.90%030%0.302CS..Hα-helixtrans-69.6-34.6173.100000112.6F975 F976 L982 F983 F1008 L1011 I1012F975-A979 WeakPolarHBondContact O-CB 3.41Å; F975-A979 PolarHBondContact O-N 3.27Å; F976-A979 PolarHBondContact O-N 2.98Å; A979-L982 WeakPolarHBondContact O-CB 3.47Å; A979-L982 PolarHBondContact O-N 3.17Å; A979-F983 WeakPolarHBondContact O-CD2 3.36Å; A979-F983 PolarHBondContact O-N 3.41Å; A979-F983 VanDerWaalsContact O-N 3.14Å; A979-F1008 HydrophobicContact CB-CD2 4.32Å; A979-F1008 HydrophobicContact CB-CE2 3.73Å; A979-F1008 HydrophobicContact CB-CZ 4.28Å; A979-L1011 HydrophobicContact CB-CD2 4.05Å; A979-I1012 HydrophobicContact CB-CD1 4.04Å; A979-I1012 HydrophobicContact CB-CG1 3.57Å
980Y90.3Very high80.8Confident84 Ų8458.9 Ų58.933%0.32932%0.319SS..Hα-helixtrans-63.5-52.4179.5176.4-100.7000112.1F899 F976 F977 L982 F983 D984F899-Y980 AromaticContact CD1-CE2 3.92Å; F899-Y980 HydrophobicContact CD1-CE2 3.92Å; F899-Y980 HydrophobicContact CE1-CD2 4.4Å; F899-Y980 HydrophobicContact CE1-CE1 4.49Å; F899-Y980 AromaticContact CE1-CE2 3.81Å; F899-Y980 HydrophobicContact CE1-CE2 3.81Å; F899-Y980 AromaticContact CE1-CZ 3.86Å; F976-Y980 WeakPolarHBondContact O-CB 3.37Å; F976-Y980 PolarHBondContact O-N 3.43Å; F977-Y980 PolarHBondContact O-N 3.24Å; Y980-L982 PolarHBondContact O-N 3.47Å; Y980-F983 PolarHBondContact O-N 3.13Å; Y980-F983 VanDerWaalsContact O-N 3.12Å; Y980-D984 PolarHBondContact O-N 3.1Å; Y980-D984 VanDerWaalsContact O-N 3.16Å
981F88.6Confident78.6Confident127 Ų12761.2 Ų61.256%0.55734%0.335SS*.Hα-helixtrans-63.2-25.7177.4-65.5-49.2000112.8F977F977-F981 HydrophobicContact CB-CD2 4.36Å; F977-F981 HydrophobicContact CB-CE2 3.97Å; F977-F981 HydrophobicContact CD1-CZ 4.49Å; F977-F981 WeakPolarHBondContact O-CD2 3.25Å; F977-F981 WeakPolarHBondContact O-CG 3.17Å; F977-F981 PolarHBondContact O-N 3.46Å
982L81.8Confident76.3Confident29 Ų2964.9 Ų64.915%0.15237%0.374CS..Hα-helixtrans-70-41.2176.2-171.769000112.2G978 A979 Y980 D984 F988 L1011 S1082G978-L982 WeakPolarHBondContact O-CB 3.48Å; G978-L982 PolarHBondContact O-N 3.15Å; A979-L982 WeakPolarHBondContact O-CB 3.47Å; A979-L982 PolarHBondContact O-N 3.17Å; Y980-L982 PolarHBondContact O-N 3.47Å; L982-D984 VanDerWaalsContact C-N 3.35Å; L982-F988 HydrophobicContact CB-CE2 4.47Å; L982-F988 HydrophobicContact CD1-CE2 3.39Å; L982-F988 HydrophobicContact CD1-CZ 3.38Å; L982-F988 HydrophobicContact CD2-CE1 4.14Å; L982-F988 HydrophobicContact CD2-CE2 4.07Å; L982-F988 HydrophobicContact CD2-CZ 3.41Å; L982-F988 VanDerWaalsContact CD2-CZ 3.41Å; L982-F988 HydrophobicContact CG-CD2 4.46Å; L982-F988 HydrophobicContact CG-CE1 4.26Å; L982-F988 HydrophobicContact CG-CE2 3.29Å; L982-F988 HydrophobicContact CG-CZ 3.17Å; L982-F988 WeakPolarHBondContact O-CE2 3.4Å; L982-L1011 HydrophobicContact CD2-CD2 3.69Å; L982-S1082 WeakPolarHBondContact CD1-OG 3.37Å; L982-S1082 WeakPolarHBondContact CD2-OG 3.43Å
983F78.9Confident73.5Confident62 Ų6273.1 Ų73.127%0.27241%0.412SS..Hα-helixtrans-77.5-18.4179.4-89-118.7000113.6A979 Y980 N985 F1003 F1008 L1011A979-F983 WeakPolarHBondContact O-CD2 3.36Å; A979-F983 PolarHBondContact O-N 3.41Å; A979-F983 VanDerWaalsContact O-N 3.14Å; Y980-F983 PolarHBondContact O-N 3.13Å; Y980-F983 VanDerWaalsContact O-N 3.12Å; F983-N985 PolarHBondContact O-N 3.09Å; F983-F1003 HydrophobicContact CD1-CB 4.35Å; F983-F1003 HydrophobicContact CE1-CB 3.47Å; F983-F1003 VanDerWaalsContact CE1-CB 3.47Å; F983-F1003 HydrophobicContact CE1-CG 4.31Å; F983-F1003 HydrophobicContact CZ-CB 3.97Å; F983-F1003 HydrophobicContact CZ-CG 4.37Å; F983-F1008 HydrophobicContact CD1-CB 4.4Å; F983-F1008 HydrophobicContact CD1-CD2 4.06Å; F983-F1008 AromaticContact CD2-CD2 3.86Å; F983-F1008 HydrophobicContact CD2-CD2 3.86Å; F983-F1008 HydrophobicContact CD2-CE2 4.45Å; F983-F1008 HydrophobicContact CE1-CB 3.86Å; F983-F1008 HydrophobicContact CE1-CD2 4.18Å; F983-F1008 HydrophobicContact CE2-CD2 4.01Å; F983-F1008 AromaticContact CG-CD2 3.89Å; F983-F1008 HydrophobicContact CG-CD2 3.89Å; F983-F1008 HydrophobicContact CZ-CB 3.99Å; F983-F1008 HydrophobicContact CZ-CD2 4.17Å; F983-L1011 HydrophobicContact CD2-CD2 4.46Å; F983-L1011 HydrophobicContact CE2-CD2 3.74Å
984D74.6Confident71Confident113 Ų11378.6 Ų78.660%0.60444%0.439SS*.THydrogen-bonded Turntrans-66.6-22.8174.5-158.138.7000112.1Y980 L982Y980-D984 PolarHBondContact O-N 3.1Å; Y980-D984 VanDerWaalsContact O-N 3.16Å; L982-D984 VanDerWaalsContact C-N 3.35Å
985N65.2Low68Low108 Ų10884.6 Ų84.658%0.57847%0.468SS*.SBendtrans-88.4119176.2-72.3-51.4000111.9F983 T987F983-N985 PolarHBondContact O-N 3.09Å; N985-T987 PolarHBondContact O-N 3.06Å
986T55.6Low65.3Low142 Ų14290.5 Ų90.587%0.87150%0.504SS*.SBendtrans-71.22.2-16954.80000116.7
987T54.7Low62.4Low112 Ų11294.8 Ų94.869%0.68753%0.531SS*.  trans-118.669.3-171.9560000112.1N985N985-T987 PolarHBondContact O-N 3.06Å
988F54.8Low59.5Low25 Ų25100.1 Ų100.111%0.1156%0.562CS.*  trans-102.47.4-171.9-128.8-87.4000115L982 F1003 S1076 P1078 A1079L982-F988 HydrophobicContact CB-CE2 4.47Å; L982-F988 HydrophobicContact CD1-CE2 3.39Å; L982-F988 HydrophobicContact CD1-CZ 3.38Å; L982-F988 HydrophobicContact CD2-CE1 4.14Å; L982-F988 HydrophobicContact CD2-CE2 4.07Å; L982-F988 HydrophobicContact CD2-CZ 3.41Å; L982-F988 VanDerWaalsContact CD2-CZ 3.41Å; L982-F988 HydrophobicContact CG-CD2 4.46Å; L982-F988 HydrophobicContact CG-CE1 4.26Å; L982-F988 HydrophobicContact CG-CE2 3.29Å; L982-F988 HydrophobicContact CG-CZ 3.17Å; L982-F988 WeakPolarHBondContact O-CE2 3.4Å; F988-F1003 HydrophobicContact CB-CD2 3.98Å; F988-F1003 HydrophobicContact CB-CE2 3.77Å; F988-F1003 HydrophobicContact CD1-CD2 4.22Å; F988-F1003 AromaticContact CD1-CE2 3.69Å; F988-F1003 HydrophobicContact CD1-CE2 3.69Å; F988-F1003 HydrophobicContact CG-CD2 4.36Å; F988-F1003 HydrophobicContact CG-CE2 4.11Å; F988-S1076 PolarHBondContact O-OG 2.94Å; F988-P1078 HydrophobicContact CD1-CB 4.09Å; F988-P1078 HydrophobicContact CE1-CB 3.57Å; F988-P1078 HydrophobicContact CE2-CB 4.01Å; F988-P1078 HydrophobicContact CZ-CB 3.46Å; F988-P1078 VanDerWaalsContact CZ-CB 3.46Å; F988-A1079 HydrophobicContact CE1-CB 4.18Å
989T55.7Low57Low84 Ų84104.3 Ų104.352%0.51558%0.584SS.*  trans-121.3127.5173.853.10000110.2N991T989-N991 PolarHBondContact O-N 3.12Å
990S48.1Very low54.6Low92 Ų92112.8 Ų112.864%0.64362%0.623SS**SBendtrans-69.5-6.9173.854.70000113.1G992S990-G992 PolarHBondContact O-N 3.2Å
991N48.9Very low52.6Low133 Ų133115 Ų11571%0.71164%0.638SS**  trans-9373174.5-68.3-1.1000109.7T989 Q993T989-N991 PolarHBondContact O-N 3.12Å; N991-Q993 PolarHBondContact O-N 3.26Å
992G49.5Very low51.3Low81 Ų81116.4 Ų116.484%0.83565%0.649SS**  trans-71.336161.500000113S990S990-G992 PolarHBondContact O-N 3.2Å
993Q37.8Very low50.8Low173 Ų173117 Ų11781%0.80865%0.65SS**  trans-112.5105.8173-87.4-168.4-24.400110.4N991 M995N991-Q993 PolarHBondContact O-N 3.26Å; Q993-M995 PolarHBondContact O-N 3.31Å
994L42.8Very low51Low163 Ų163115.7 Ų115.785%0.85365%0.654SS**  trans7.779.8136.6-148.6106.6000114.8T996L994-T996 HydrophobicContact CD2-CG2 4.27Å
995M34Very low51.6Low162 Ų162113.3 Ų113.380%0.79864%0.641SS**  trans-104.3101.9157.5-158171.4176.400106.7Q993 T997Q993-M995 PolarHBondContact O-N 3.31Å; M995-T997 PolarHBondContact O-N 2.92Å
996T37.8Very low52.7Low124 Ų124110 Ų11076%0.76162%0.62SS**  trans-64.371.1172.747.90000110.4L994L994-T996 HydrophobicContact CD2-CG2 4.27Å
997T34.7Very low54.3Low92 Ų92103.5 Ų103.556%0.56458%0.581SS**SBendtrans-154.9127159.747.10000106.8M995 T999M995-T997 PolarHBondContact O-N 2.92Å; T997-T999 VanDerWaalsContact C-N 3.3Å; T997-T999 PolarHBondContact O-N 3.39Å
998N34.3Very low56Low175 Ų17599 Ų9994%0.93655%0.552SS**SBendtrans-55.770.9-171.1-65.8-34.7000115.7
999T39.2Very low57.8Low109 Ų10997.9 Ų97.967%0.66955%0.547SS*.  trans-15380.4170.2-18.30000109.6T997 M1001T997-T999 VanDerWaalsContact C-N 3.3Å; T997-T999 PolarHBondContact O-N 3.39Å; T999-M1001 PolarHBondContact O-N 3.03Å
1000Q40.5Very low59.5Low178 Ų17894 Ų9483%0.83252%0.523SS*.  trans-59.8105.8159.3-76.3178.9-27.300106.9M1002Q1000-M1002 HydrophobicContact CB-CG 4.49Å; Q1000-M1002 PolarHBondContact O-N 2.91Å
1001M48.2Very low61.6Low131 Ų13189.7 Ų89.765%0.64549%0.493SS*.  trans-73.382176.5-69.2-164.6-157.300109.4T999T999-M1001 PolarHBondContact O-N 3.03Å
1002M59.7Low63.8Low157 Ų15783.4 Ų83.477%0.77346%0.46SS*.PPolyproline II helixtrans-71.6139.2171.6-62177.872.800109.4Q1000 G1004Q1000-M1002 HydrophobicContact CB-CG 4.49Å; Q1000-M1002 PolarHBondContact O-N 2.91Å; M1002-G1004 PolarHBondContact O-N 3.46Å
1003F72Confident66Low40 Ų4079.6 Ų79.618%0.17542%0.42CS..PPolyproline II helixtrans-67.7126.6175.7-75.9-63.1000110.6F983 F988 T1007 Q1072F983-F1003 HydrophobicContact CD1-CB 4.35Å; F983-F1003 HydrophobicContact CE1-CB 3.47Å; F983-F1003 VanDerWaalsContact CE1-CB 3.47Å; F983-F1003 HydrophobicContact CE1-CG 4.31Å; F983-F1003 HydrophobicContact CZ-CB 3.97Å; F983-F1003 HydrophobicContact CZ-CG 4.37Å; F988-F1003 HydrophobicContact CB-CD2 3.98Å; F988-F1003 HydrophobicContact CB-CE2 3.77Å; F988-F1003 HydrophobicContact CD1-CD2 4.22Å; F988-F1003 AromaticContact CD1-CE2 3.69Å; F988-F1003 HydrophobicContact CD1-CE2 3.69Å; F988-F1003 HydrophobicContact CG-CD2 4.36Å; F988-F1003 HydrophobicContact CG-CE2 4.11Å; F1003-T1007 HydrophobicContact CB-CG2 4.33Å; F1003-T1007 HydrophobicContact CD1-CG2 3.21Å; F1003-T1007 HydrophobicContact CE1-CG2 3.66Å; F1003-T1007 HydrophobicContact CG-CG2 4.05Å; F1003-Q1072 HydrophobicContact CE1-CG 3.86Å
1004G83.1Confident68.7Low35 Ų3571.6 Ų71.636%0.36138%0.383SS..PPolyproline II helixtrans-82.3172.617900000113.1M1002 W1006 T1007 F1008M1002-G1004 PolarHBondContact O-N 3.46Å; G1004-W1006 VanDerWaalsContact C-N 3.26Å; G1004-W1006 PolarHBondContact O-N 3.12Å; G1004-T1007 WeakPolarHBondContact O-CB 3.5Å; G1004-T1007 PolarHBondContact O-N 3.43Å; G1004-F1008 PolarHBondContact O-N 3.46Å; G1004-F1008 VanDerWaalsContact O-N 3.12Å
1005N87.4Confident71.2Confident63 Ų6363.9 Ų63.934%0.33734%0.343SS..Hα-helixtrans-57-37175.565.1-24.4000113T1007 F1008 G1009N1005-T1007 VanDerWaalsContact C-N 3.33Å; N1005-T1007 PolarHBondContact O-N 3.02Å; N1005-F1008 WeakPolarHBondContact O-CB 3.42Å; N1005-F1008 PolarHBondContact O-N 3.25Å; N1005-G1009 PolarHBondContact O-N 2.85Å
1006W89.2Confident74.2Confident38 Ų3856.2 Ų56.214%0.14431%0.305CS..Hα-helixtrans-67-33.2176.8-62.1111.7000112.4D909 G1004 T1010 R1065 M1066 V1069D909-W1006 HydrophobicContact CB-CE3 4.45Å; D909-W1006 HydrophobicContact CB-CZ3 4.3Å; G1004-W1006 VanDerWaalsContact C-N 3.26Å; G1004-W1006 PolarHBondContact O-N 3.12Å; W1006-T1010 VanDerWaalsContact O-CB 3.3Å; W1006-T1010 WeakPolarHBondContact O-CB 3.36Å; W1006-T1010 PolarHBondContact O-N 3.38Å; W1006-T1010 PolarHBondContact O-OG1 3.16Å; W1006-R1065 HydrophobicContact CZ2-CB 4.45Å; W1006-M1066 HydrophobicContact CB-SD 4Å; W1006-M1066 HydrophobicContact CD2-SD 4.37Å; W1006-M1066 HydrophobicContact CE3-SD 4.14Å; W1006-M1066 HydrophobicContact CG-SD 4.35Å; W1006-V1069 HydrophobicContact CB-CG1 4.36Å; W1006-V1069 HydrophobicContact CB-CG2 4.32Å
1007T88.6Confident76.9Confident6 Ų650.3 Ų50.34%0.03727%0.269CS..Hα-helixtrans-68-42172.8-45.10000111F1003 G1004 N1005 T1010 L1011 M1073F1003-T1007 HydrophobicContact CB-CG2 4.33Å; F1003-T1007 HydrophobicContact CD1-CG2 3.21Å; F1003-T1007 HydrophobicContact CE1-CG2 3.66Å; F1003-T1007 HydrophobicContact CG-CG2 4.05Å; G1004-T1007 WeakPolarHBondContact O-CB 3.5Å; G1004-T1007 PolarHBondContact O-N 3.43Å; N1005-T1007 VanDerWaalsContact C-N 3.33Å; N1005-T1007 PolarHBondContact O-N 3.02Å; T1007-T1010 PolarHBondContact O-N 3.37Å; T1007-L1011 PolarHBondContact O-N 3.12Å; T1007-M1073 HydrophobicContact CG2-CB 4.01Å; T1007-M1073 HydrophobicContact CG2-CG 4.37Å
1008F90.1Very high79.9Confident17 Ų1748.3 Ų48.38%0.07525%0.253CS..Hα-helixtrans-58.6-48.5173.9178.6-101.5000111.8Y896 L907 F976 A979 F983 G1004 N1005 T1010 L1011 I1012Y896-F1008 HydrophobicContact CD2-CE1 4.17Å; Y896-F1008 HydrophobicContact CE2-CD1 4.38Å; Y896-F1008 HydrophobicContact CE2-CE1 4.31Å; L907-F1008 HydrophobicContact CD1-CD1 3.63Å; L907-F1008 HydrophobicContact CD1-CE1 3.81Å; F976-F1008 HydrophobicContact CD2-CE1 4.46Å; F976-F1008 HydrophobicContact CD2-CZ 4.45Å; F976-F1008 AromaticContact CE2-CE1 3.96Å; F976-F1008 HydrophobicContact CE2-CE1 3.96Å; F976-F1008 HydrophobicContact CE2-CZ 4.11Å; F976-F1008 HydrophobicContact CZ-CZ 4.48Å; A979-F1008 HydrophobicContact CB-CD2 4.32Å; A979-F1008 HydrophobicContact CB-CE2 3.73Å; A979-F1008 HydrophobicContact CB-CZ 4.28Å; F983-F1008 HydrophobicContact CD1-CB 4.4Å; F983-F1008 HydrophobicContact CD1-CD2 4.06Å; F983-F1008 AromaticContact CD2-CD2 3.86Å; F983-F1008 HydrophobicContact CD2-CD2 3.86Å; F983-F1008 HydrophobicContact CD2-CE2 4.45Å; F983-F1008 HydrophobicContact CE1-CB 3.86Å; F983-F1008 HydrophobicContact CE1-CD2 4.18Å; F983-F1008 HydrophobicContact CE2-CD2 4.01Å; F983-F1008 AromaticContact CG-CD2 3.89Å; F983-F1008 HydrophobicContact CG-CD2 3.89Å; F983-F1008 HydrophobicContact CZ-CB 3.99Å; F983-F1008 HydrophobicContact CZ-CD2 4.17Å; G1004-F1008 PolarHBondContact O-N 3.46Å; G1004-F1008 VanDerWaalsContact O-N 3.12Å; N1005-F1008 WeakPolarHBondContact O-CB 3.42Å; N1005-F1008 PolarHBondContact O-N 3.25Å; F1008-T1010 VanDerWaalsContact C-N 3.33Å; F1008-T1010 PolarHBondContact O-N 3.41Å; F1008-L1011 PolarHBondContact O-N 3.35Å; F1008-I1012 HydrophobicContact CD1-CD1 3.98Å; F1008-I1012 HydrophobicContact CE1-CD1 3.38Å; F1008-I1012 HydrophobicContact CE2-CD1 4.16Å; F1008-I1012 HydrophobicContact CZ-CD1 3.49Å; F1008-I1012 VanDerWaalsContact CZ-CD1 3.49Å; F1008-I1012 PolarHBondContact O-N 2.89Å; F1008-I1012 VanDerWaalsContact O-N 3.16Å
1009G91.9Very high82.8Confident2 Ų240 Ų402%0.02121%0.208CC..Hα-helixtrans-61-39.6175.400000113.3L907 N1005 I1012 F1013L907-G1009 WeakPolarHBondContact O-CA 3.35Å; N1005-G1009 PolarHBondContact O-N 2.85Å; G1009-I1012 PolarHBondContact O-N 3.14Å; G1009-F1013 VanDerWaalsContact O-CB 3.28Å; G1009-F1013 WeakPolarHBondContact O-CB 3.43Å; G1009-F1013 PolarHBondContact O-N 3.35Å
1010T92.2Very high85.5Confident2 Ų234.8 Ų34.81%0.01218%0.176CC..Hα-helixtrans-67.7-36.9178.2-58.10000112.3Y912 W1006 T1007 F1008 F1013 T1014 M1066 F1070 M1073Y912-T1010 HydrophobicContact CE2-CG2 4.28Å; W1006-T1010 VanDerWaalsContact O-CB 3.3Å; W1006-T1010 WeakPolarHBondContact O-CB 3.36Å; W1006-T1010 PolarHBondContact O-N 3.38Å; W1006-T1010 PolarHBondContact O-OG1 3.16Å; T1007-T1010 PolarHBondContact O-N 3.37Å; F1008-T1010 VanDerWaalsContact C-N 3.33Å; F1008-T1010 PolarHBondContact O-N 3.41Å; T1010-F1013 PolarHBondContact O-N 3Å; T1010-T1014 WeakPolarHBondContact O-CB 3.48Å; T1010-T1014 PolarHBondContact O-N 3.26Å; T1010-T1014 PolarHBondContact O-OG1 3.23Å; T1010-M1066 WeakPolarHBondContact OG1-CE 3.44Å; T1010-F1070 HydrophobicContact CG2-CD2 3.63Å; T1010-F1070 HydrophobicContact CG2-CE2 4.33Å; T1010-M1073 HydrophobicContact CG2-CE 4.13Å; T1010-M1073 HydrophobicContact CG2-SD 3.98Å
1011L92.3Very high88.1Confident3 Ų326.3 Ų26.32%0.01614%0.137CC..Hα-helixtrans-62.8-51.6174.5179.367.9000111A979 L982 F983 T1007 F1008 F1013 T1014 V1015 M1073 I1083A979-L1011 HydrophobicContact CB-CD2 4.05Å; L982-L1011 HydrophobicContact CD2-CD2 3.69Å; F983-L1011 HydrophobicContact CD2-CD2 4.46Å; F983-L1011 HydrophobicContact CE2-CD2 3.74Å; T1007-L1011 PolarHBondContact O-N 3.12Å; F1008-L1011 PolarHBondContact O-N 3.35Å; L1011-F1013 VanDerWaalsContact C-N 3.27Å; L1011-F1013 PolarHBondContact O-N 3.2Å; L1011-T1014 WeakPolarHBondContact O-CB 3.27Å; L1011-T1014 PolarHBondContact O-N 3.38Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.43Å; L1011-V1015 PolarHBondContact O-N 2.73Å; L1011-M1073 VanDerWaalsContact CA-SD 3.56Å; L1011-M1073 HydrophobicContact CB-SD 3.93Å; L1011-M1073 HydrophobicContact CD1-SD 4.14Å; L1011-I1083 HydrophobicContact CD1-CD1 3.92Å; L1011-I1083 HydrophobicContact CD1-CG1 3.59Å
1012I95.1Very high90.3Very high1 Ų122 Ų221%0.00512%0.116CC..Hα-helixtrans-58.4-43.9177.3-66.9176000110.1P892 L907 Y908 F975 F976 A979 F1008 G1009 T1014 V1015 L1016P892-I1012 HydrophobicContact CB-CG2 4.07Å; P892-I1012 HydrophobicContact CG-CG2 4.37Å; L907-I1012 HydrophobicContact CD1-CD1 4.42Å; L907-I1012 HydrophobicContact CD2-CD1 3.99Å; L907-I1012 HydrophobicContact CD2-CG2 4.41Å; Y908-I1012 HydrophobicContact CE1-CB 4.39Å; Y908-I1012 HydrophobicContact CE1-CG2 4.06Å; Y908-I1012 WeakPolarHBondContact OH-CG2 3.36Å; F975-I1012 HydrophobicContact CB-CG2 4.14Å; F976-I1012 HydrophobicContact CD2-CD1 3.96Å; A979-I1012 HydrophobicContact CB-CD1 4.04Å; A979-I1012 HydrophobicContact CB-CG1 3.57Å; F1008-I1012 HydrophobicContact CD1-CD1 3.98Å; F1008-I1012 HydrophobicContact CE1-CD1 3.38Å; F1008-I1012 HydrophobicContact CE2-CD1 4.16Å; F1008-I1012 HydrophobicContact CZ-CD1 3.49Å; F1008-I1012 VanDerWaalsContact CZ-CD1 3.49Å; F1008-I1012 PolarHBondContact O-N 2.89Å; F1008-I1012 VanDerWaalsContact O-N 3.16Å; G1009-I1012 PolarHBondContact O-N 3.14Å; I1012-T1014 PolarHBondContact O-N 3.45Å; I1012-V1015 PolarHBondContact O-N 2.97Å; I1012-L1016 VanDerWaalsContact O-CB 3.31Å; I1012-L1016 WeakPolarHBondContact O-CB 3.44Å; I1012-L1016 PolarHBondContact O-N 3.16Å
1013F95.1Very high92Very high0 Ų014.7 Ų14.70%08%0.08CC..Hα-helixtrans-64.9-37.8179.6-166-93.6000112.6F889 Y908 Y912 Y916 F920 G1009 T1010 L1011 L1016 V1017 Y1046F889-F1013 HydrophobicContact CD2-CE2 4.33Å; F889-F1013 HydrophobicContact CE2-CD2 4.27Å; F889-F1013 AromaticContact CE2-CE2 3.85Å; F889-F1013 HydrophobicContact CE2-CE2 3.85Å; Y908-F1013 HydrophobicContact CD1-CB 3.89Å; Y908-F1013 AromaticContact CD1-CD2 3.74Å; Y908-F1013 HydrophobicContact CD1-CD2 3.74Å; Y908-F1013 HydrophobicContact CD1-CG 4.24Å; Y908-F1013 HydrophobicContact CE1-CB 3.87Å; Y908-F1013 AromaticContact CE1-CD2 3.94Å; Y908-F1013 HydrophobicContact CE1-CD2 3.94Å; Y908-F1013 HydrophobicContact CE1-CG 4.42Å; Y908-F1013 HydrophobicContact CG-CD2 4.12Å; Y912-F1013 HydrophobicContact CD1-CE1 4.12Å; Y912-F1013 AromaticContact CD2-CD1 3.98Å; Y912-F1013 HydrophobicContact CD2-CD1 3.98Å; Y912-F1013 HydrophobicContact CD2-CE1 4.29Å; Y912-F1013 HydrophobicContact CD2-CG 4.09Å; Y912-F1013 HydrophobicContact CE2-CD1 4.34Å; Y912-F1013 HydrophobicContact CG-CD1 4.08Å; Y912-F1013 AromaticContact CG-CE1 3.91Å; Y912-F1013 HydrophobicContact CG-CE1 3.91Å; Y912-F1013 HydrophobicContact CG-CE2 4.45Å; Y912-F1013 HydrophobicContact CG-CG 4.41Å; Y912-F1013 HydrophobicContact CG-CZ 4.1Å; Y916-F1013 AromaticContact CD2-CE2 3.97Å; Y916-F1013 HydrophobicContact CD2-CE2 3.97Å; Y916-F1013 AromaticContact CD2-CZ 3.85Å; Y916-F1013 HydrophobicContact CD2-CZ 3.85Å; Y916-F1013 HydrophobicContact CG-CE2 4.31Å; Y916-F1013 HydrophobicContact CG-CZ 4.33Å; F920-F1013 HydrophobicContact CD2-CE1 4.05Å; F920-F1013 HydrophobicContact CD2-CZ 4.01Å; F920-F1013 HydrophobicContact CE2-CE1 4.07Å; F920-F1013 HydrophobicContact CE2-CZ 4.19Å; G1009-F1013 VanDerWaalsContact O-CB 3.28Å; G1009-F1013 WeakPolarHBondContact O-CB 3.43Å; G1009-F1013 PolarHBondContact O-N 3.35Å; T1010-F1013 PolarHBondContact O-N 3Å; L1011-F1013 VanDerWaalsContact C-N 3.27Å; L1011-F1013 PolarHBondContact O-N 3.2Å; F1013-L1016 HydrophobicContact CD2-CD2 4.22Å; F1013-L1016 HydrophobicContact CE2-CD2 4.45Å; F1013-L1016 WeakPolarHBondContact O-CB 3.25Å; F1013-L1016 PolarHBondContact O-N 3.31Å; F1013-V1017 HydrophobicContact CD1-CG2 3.88Å; F1013-V1017 HydrophobicContact CE1-CG2 3.51Å; F1013-V1017 HydrophobicContact CZ-CG2 3.94Å; F1013-V1017 WeakPolarHBondContact O-CG2 3.36Å; F1013-V1017 PolarHBondContact O-N 2.91Å; F1013-Y1046 AromaticContact CD1-CE2 3.6Å; F1013-Y1046 HydrophobicContact CD1-CE2 3.6Å; F1013-Y1046 AromaticContact CD1-CZ 3.91Å; F1013-Y1046 HydrophobicContact CE1-CD2 4.08Å; F1013-Y1046 AromaticContact CE1-CE2 3.53Å; F1013-Y1046 HydrophobicContact CE1-CE2 3.53Å
1014T94.6Very high93Very high6 Ų612.8 Ų12.84%0.0377%0.072CC..Hα-helixtrans-62.3-50.3175.2-57.90000110.4T1010 L1011 I1012 L1016 V1017 F1018 Y1046 M1073 I1083T1010-T1014 WeakPolarHBondContact O-CB 3.48Å; T1010-T1014 PolarHBondContact O-N 3.26Å; T1010-T1014 PolarHBondContact O-OG1 3.23Å; L1011-T1014 WeakPolarHBondContact O-CB 3.27Å; L1011-T1014 PolarHBondContact O-N 3.38Å; I1012-T1014 PolarHBondContact O-N 3.45Å; T1014-L1016 VanDerWaalsContact C-N 3.28Å; T1014-L1016 PolarHBondContact O-N 3.42Å; T1014-V1017 PolarHBondContact O-N 3.49Å; T1014-F1018 HydrophobicContact CG2-CD2 4.05Å; T1014-F1018 HydrophobicContact CG2-CE2 4.1Å; T1014-F1018 VanDerWaalsContact O-CD2 3.28Å; T1014-F1018 WeakPolarHBondContact O-CD2 3.27Å; T1014-F1018 PolarHBondContact O-N 2.78Å; T1014-F1018 VanDerWaalsContact O-N 3.1Å; T1014-Y1046 HydrophobicContact CG2-CE1 4.21Å; T1014-Y1046 PolarHBondContact OG1-OH 2.97Å; T1014-M1073 WeakPolarHBondContact OG1-CE 3.4Å; T1014-I1083 HydrophobicContact CG2-CD1 4.01Å; T1014-I1083 HydrophobicContact CG2-CG1 4.5Å; T1014-I1083 HydrophobicContact CG2-CG2 4.48Å
1015V95.9Very high93.5Very high1 Ų111.6 Ų11.61%0.0066%0.058CC..Hα-helixtrans-59.7-42.2177.51770000110.8F975 L1011 I1012 T1019 I1083 L1086 I1087F975-V1015 HydrophobicContact CD1-CB 4.46Å; F975-V1015 HydrophobicContact CD1-CG1 3.44Å; F975-V1015 VanDerWaalsContact CD1-CG1 3.44Å; F975-V1015 HydrophobicContact CE1-CG1 3.74Å; F975-V1015 HydrophobicContact CG-CG1 4.27Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.43Å; L1011-V1015 PolarHBondContact O-N 2.73Å; I1012-V1015 PolarHBondContact O-N 2.97Å; V1015-T1019 VanDerWaalsContact O-CB 3.24Å; V1015-T1019 WeakPolarHBondContact O-CB 3.37Å; V1015-T1019 PolarHBondContact O-N 3.37Å; V1015-T1019 PolarHBondContact O-OG1 3.11Å; V1015-I1083 HydrophobicContact CG2-CB 4.35Å; V1015-I1083 HydrophobicContact CG2-CG1 4.02Å; V1015-I1083 HydrophobicContact CG2-CG2 4.39Å; V1015-L1086 HydrophobicContact CG1-CB 3.74Å; V1015-L1086 HydrophobicContact CG2-CB 4.3Å; V1015-L1086 HydrophobicContact CG2-CD1 4.13Å; V1015-I1087 HydrophobicContact CG1-CG1 4.31Å
1016L96.1Very high93.7Very high0 Ų012.2 Ų12.20%06%0.061CC..Hα-helixtrans-58.1-55.9176.4170.871.3000111.9C888 F889 Y916 F975 I1012 F1013 T1014 F1018 T1019 V1020C888-L1016 HydrophobicContact CB-CD1 3.54Å; F889-L1016 HydrophobicContact CB-CD2 3.91Å; F889-L1016 HydrophobicContact CD2-CD2 3.54Å; F889-L1016 HydrophobicContact CG-CD2 4.17Å; Y916-L1016 HydrophobicContact CD2-CD2 4.45Å; Y916-L1016 HydrophobicContact CE2-CD2 3.9Å; Y916-L1016 HydrophobicContact CE2-CG 4.15Å; F975-L1016 HydrophobicContact CD2-CB 4.32Å; F975-L1016 HydrophobicContact CD2-CD1 4.11Å; F975-L1016 HydrophobicContact CE2-CB 4.29Å; F975-L1016 HydrophobicContact CE2-CD1 3.63Å; I1012-L1016 VanDerWaalsContact O-CB 3.31Å; I1012-L1016 WeakPolarHBondContact O-CB 3.44Å; I1012-L1016 PolarHBondContact O-N 3.16Å; F1013-L1016 HydrophobicContact CD2-CD2 4.22Å; F1013-L1016 HydrophobicContact CE2-CD2 4.45Å; F1013-L1016 WeakPolarHBondContact O-CB 3.25Å; F1013-L1016 PolarHBondContact O-N 3.31Å; T1014-L1016 VanDerWaalsContact C-N 3.28Å; T1014-L1016 PolarHBondContact O-N 3.42Å; L1016-F1018 VanDerWaalsContact C-N 3.32Å; L1016-F1018 PolarHBondContact O-N 3.41Å; L1016-T1019 PolarHBondContact O-N 2.92Å; L1016-V1020 HydrophobicContact CD1-CG1 3.94Å; L1016-V1020 WeakPolarHBondContact O-CG1 3.45Å; L1016-V1020 WeakPolarHBondContact O-CG2 3.41Å; L1016-V1020 PolarHBondContact O-N 2.96Å
1017V95.9Very high93.7Very high0 Ų011.5 Ų11.50%06%0.06CC..Hα-helixtrans-60.9-42.5-175.8170.40000111.1Y916 F1013 T1014 T1021 L1043 Y1046Y916-V1017 HydrophobicContact CD2-CG2 4.2Å; Y916-V1017 HydrophobicContact CE2-CG2 4.28Å; F1013-V1017 HydrophobicContact CD1-CG2 3.88Å; F1013-V1017 HydrophobicContact CE1-CG2 3.51Å; F1013-V1017 HydrophobicContact CZ-CG2 3.94Å; F1013-V1017 WeakPolarHBondContact O-CG2 3.36Å; F1013-V1017 PolarHBondContact O-N 2.91Å; T1014-V1017 PolarHBondContact O-N 3.49Å; V1017-T1021 VanDerWaalsContact O-CB 3.29Å; V1017-T1021 WeakPolarHBondContact O-CB 3.37Å; V1017-T1021 PolarHBondContact O-N 3.24Å; V1017-T1021 PolarHBondContact O-OG1 2.94Å; V1017-L1043 HydrophobicContact CG1-CD2 4.12Å; V1017-Y1046 HydrophobicContact CB-CD1 4.42Å; V1017-Y1046 HydrophobicContact CG1-CD1 4.03Å; V1017-Y1046 HydrophobicContact CG1-CG 3.97Å; V1017-Y1046 HydrophobicContact CG2-CD2 4.46Å
1018F95.9Very high93.8Very high51 Ų5111.7 Ų11.722%0.2246%0.061CC..Hα-helixtrans-66.9-46.1176.8-84.4-104.4000111.8T1014 L1016 T1021 L1022 L1043 Y1046 V1047 I1087T1014-F1018 HydrophobicContact CG2-CD2 4.05Å; T1014-F1018 HydrophobicContact CG2-CE2 4.1Å; T1014-F1018 VanDerWaalsContact O-CD2 3.28Å; T1014-F1018 WeakPolarHBondContact O-CD2 3.27Å; T1014-F1018 PolarHBondContact O-N 2.78Å; T1014-F1018 VanDerWaalsContact O-N 3.1Å; L1016-F1018 VanDerWaalsContact C-N 3.32Å; L1016-F1018 PolarHBondContact O-N 3.41Å; F1018-T1021 PolarHBondContact O-N 3.27Å; F1018-L1022 VanDerWaalsContact O-CB 3.28Å; F1018-L1022 WeakPolarHBondContact O-CB 3.26Å; F1018-L1022 WeakPolarHBondContact O-CG 3.35Å; F1018-L1022 PolarHBondContact O-N 2.97Å; F1018-L1043 HydrophobicContact CD1-CD1 4.19Å; F1018-L1043 HydrophobicContact CD1-CD2 4.15Å; F1018-L1043 HydrophobicContact CD2-CD2 4.17Å; F1018-L1043 HydrophobicContact CE1-CD1 4.21Å; F1018-L1043 HydrophobicContact CE1-CD2 4.35Å; F1018-L1043 HydrophobicContact CE2-CD2 4.38Å; F1018-L1043 HydrophobicContact CG-CD2 4.06Å; F1018-L1043 HydrophobicContact CZ-CD2 4.47Å; F1018-Y1046 HydrophobicContact CE2-CD1 4.1Å; F1018-Y1046 HydrophobicContact CE2-CE1 4.23Å; F1018-V1047 HydrophobicContact CE2-CG2 4.37Å; F1018-V1047 HydrophobicContact CZ-CG2 4.23Å; F1018-I1087 HydrophobicContact CB-CD1 3.54Å; F1018-I1087 HydrophobicContact CB-CG1 4.19Å; F1018-I1087 HydrophobicContact CD1-CD1 4.36Å; F1018-I1087 HydrophobicContact CG-CD1 4.18Å
1019T96.2Very high93.7Very high0 Ų014.8 Ų14.80%08%0.084CC..Hα-helixtrans-63.2-48.5-177.6-56.50000111.7F975 V1015 L1016 T1021 L1022 K1023 L1091F975-T1019 HydrophobicContact CE1-CG2 3.87Å; F975-T1019 WeakPolarHBondContact CE1-OG1 3.39Å; F975-T1019 HydrophobicContact CZ-CG2 3.65Å; V1015-T1019 VanDerWaalsContact O-CB 3.24Å; V1015-T1019 WeakPolarHBondContact O-CB 3.37Å; V1015-T1019 PolarHBondContact O-N 3.37Å; V1015-T1019 PolarHBondContact O-OG1 3.11Å; L1016-T1019 PolarHBondContact O-N 2.92Å; T1019-T1021 VanDerWaalsContact C-N 3.32Å; T1019-T1021 PolarHBondContact O-N 2.91Å; T1019-L1022 PolarHBondContact O-N 3.27Å; T1019-K1023 VanDerWaalsContact O-CB 3.28Å; T1019-K1023 WeakPolarHBondContact O-CB 3.34Å; T1019-K1023 PolarHBondContact O-N 2.77Å; T1019-L1091 HydrophobicContact CG2-CD2 3.79Å; T1019-L1091 HydrophobicContact CG2-CG 4.15Å
1020V96.1Very high93.5Very high0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-65.1-37.4-179.2-58.90000111.8Y881 Y884 K885 C888 T921 L1016 K1023 L1024Y881-V1020 WeakPolarHBondContact CE2-O 3.47Å; Y881-V1020 PolarHBondContact OH-O 3.06Å; Y884-V1020 HydrophobicContact CE1-CG1 4.27Å; K885-V1020 HydrophobicContact CB-CB 4.39Å; K885-V1020 HydrophobicContact CB-CG1 4.21Å; C888-V1020 HydrophobicContact CB-CG1 4.23Å; T921-V1020 HydrophobicContact CG2-CG2 3.83Å; L1016-V1020 HydrophobicContact CD1-CG1 3.94Å; L1016-V1020 WeakPolarHBondContact O-CG1 3.45Å; L1016-V1020 WeakPolarHBondContact O-CG2 3.41Å; L1016-V1020 PolarHBondContact O-N 2.96Å; V1020-K1023 WeakPolarHBondContact O-CB 3.4Å; V1020-K1023 PolarHBondContact O-N 3.36Å; V1020-L1024 PolarHBondContact O-N 3.36Å; V1020-L1024 VanDerWaalsContact O-N 3.13Å
1021T95.3Very high93.5Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-72.2-39.8179.7-53.60000111.7V1017 F1018 T1019 L1024 A1025 I1039 L1043V1017-T1021 VanDerWaalsContact O-CB 3.29Å; V1017-T1021 WeakPolarHBondContact O-CB 3.37Å; V1017-T1021 PolarHBondContact O-N 3.24Å; V1017-T1021 PolarHBondContact O-OG1 2.94Å; F1018-T1021 PolarHBondContact O-N 3.27Å; T1019-T1021 VanDerWaalsContact C-N 3.32Å; T1019-T1021 PolarHBondContact O-N 2.91Å; T1021-L1024 WeakPolarHBondContact O-CB 3.28Å; T1021-L1024 PolarHBondContact O-N 3.02Å; T1021-A1025 PolarHBondContact O-N 3.4Å; T1021-I1039 HydrophobicContact CG2-CG2 3.81Å; T1021-L1043 HydrophobicContact CG2-CD1 4.2Å; T1021-L1043 HydrophobicContact CG2-CD2 3.93Å; T1021-L1043 HydrophobicContact CG2-CG 3.86Å
1022L94.8Very high93.5Very high41 Ų4123.5 Ų23.522%0.21512%0.121CC..Hα-helixtrans-70.3-32.4174.1-69.7172.8000112.1F1018 T1019 L1024 A1025 L1026 W1040 I1087 L1091F1018-L1022 VanDerWaalsContact O-CB 3.28Å; F1018-L1022 WeakPolarHBondContact O-CB 3.26Å; F1018-L1022 WeakPolarHBondContact O-CG 3.35Å; F1018-L1022 PolarHBondContact O-N 2.97Å; T1019-L1022 PolarHBondContact O-N 3.27Å; L1022-L1024 VanDerWaalsContact C-N 3.31Å; L1022-L1024 PolarHBondContact O-N 2.98Å; L1022-A1025 WeakPolarHBondContact O-CB 3.33Å; L1022-A1025 PolarHBondContact O-N 2.94Å; L1022-L1026 WeakPolarHBondContact O-CG 3.28Å; L1022-L1026 PolarHBondContact O-N 2.93Å; L1022-W1040 HydrophobicContact CD2-CH2 4.15Å; L1022-W1040 HydrophobicContact CD2-CZ3 4Å; L1022-I1087 HydrophobicContact CD1-CG2 3.71Å; L1022-L1091 HydrophobicContact CB-CD1 3.79Å; L1022-L1091 HydrophobicContact CD1-CD1 4.4Å
1023K94.5Very high93.4Very high2 Ų232.8 Ų32.81%0.00916%0.157CC..Hα-helixtrans-58.4-45.3170.3175.967.3175.591.30110.9Y884 T1019 V1020 A1025 L1026 D1027 L1091 D1094Y884-K1023 HydrophobicContact CE1-CB 4.39Å; Y884-K1023 HydrophobicContact CE1-CG 3.89Å; T1019-K1023 VanDerWaalsContact O-CB 3.28Å; T1019-K1023 WeakPolarHBondContact O-CB 3.34Å; T1019-K1023 PolarHBondContact O-N 2.77Å; V1020-K1023 WeakPolarHBondContact O-CB 3.4Å; V1020-K1023 PolarHBondContact O-N 3.36Å; K1023-A1025 VanDerWaalsContact C-N 3.34Å; K1023-A1025 PolarHBondContact O-N 3.17Å; K1023-L1026 WeakPolarHBondContact O-CB 3.44Å; K1023-L1026 PolarHBondContact O-N 3.36Å; K1023-L1026 VanDerWaalsContact O-N 3.17Å; K1023-D1027 IonicContact NZ-OD1 3.96Å; K1023-D1027 PolarHBondContact NZ-OD1 3.45Å; K1023-D1027 IonicContact NZ-OD2 2.74Å; K1023-D1027 PolarHBondContact NZ-OD2 2.98Å; K1023-D1027 PolarHBondContact O-N 3.47Å; K1023-D1027 VanDerWaalsContact O-N 3.08Å; K1023-L1091 HydrophobicContact CB-CD2 3.94Å; K1023-L1091 HydrophobicContact CD-CD2 4.39Å; K1023-D1094 WeakPolarHBondContact CD-OD2 3.39Å; K1023-D1094 VanDerWaalsContact CE-CG 3.49Å; K1023-D1094 WeakPolarHBondContact CE-OD2 3.39Å; K1023-D1094 IonicContact NZ-OD1 2.64Å; K1023-D1094 IonicContact NZ-OD2 3.62Å; K1023-D1094 PolarHBondContact NZ-OD2 3.39Å
1024L93.8Very high93.2Very high1 Ų135 Ų351%0.00517%0.168CC..Hα-helixtrans-62.8-40.8175-174.762.3000112.1Y881 P924 I925 Y928 V1020 T1021 L1022 L1026 D1027 T1028Y881-L1024 HydrophobicContact CD2-CD1 4.35Å; Y881-L1024 HydrophobicContact CE2-CB 3.84Å; Y881-L1024 HydrophobicContact CE2-CD1 4.32Å; P924-L1024 HydrophobicContact CB-CD2 3.7Å; I925-L1024 HydrophobicContact CB-CD2 4.22Å; I925-L1024 HydrophobicContact CD1-CD1 3.63Å; I925-L1024 HydrophobicContact CD1-CD2 4.33Å; Y928-L1024 HydrophobicContact CD1-CD1 3.92Å; Y928-L1024 HydrophobicContact CD2-CD1 3.91Å; Y928-L1024 HydrophobicContact CD2-CG 4.41Å; Y928-L1024 HydrophobicContact CE1-CD1 4.22Å; Y928-L1024 HydrophobicContact CE2-CD1 4.18Å; Y928-L1024 HydrophobicContact CG-CD1 3.75Å; Y928-L1024 HydrophobicContact CG-CG 4.42Å; V1020-L1024 PolarHBondContact O-N 3.36Å; V1020-L1024 VanDerWaalsContact O-N 3.13Å; T1021-L1024 WeakPolarHBondContact O-CB 3.28Å; T1021-L1024 PolarHBondContact O-N 3.02Å; L1022-L1024 VanDerWaalsContact C-N 3.31Å; L1022-L1024 PolarHBondContact O-N 2.98Å; L1024-L1026 VanDerWaalsContact C-N 3.29Å; L1024-L1026 PolarHBondContact O-N 3.26Å; L1024-D1027 PolarHBondContact O-N 2.81Å; L1024-D1027 VanDerWaalsContact O-N 3.13Å; L1024-T1028 PolarHBondContact O-N 2.85Å; L1024-T1028 VanDerWaalsContact O-N 3.12Å; L1024-T1028 PolarHBondContact O-OG1 3.45Å
1025A93.2Very high93.1Very high10 Ų1034.9 Ų34.98%0.08317%0.167CC..Hα-helixtrans-58.8-40.7173.200000111.9T1021 L1022 K1023 D1027 T1028 W1031 I1039T1021-A1025 PolarHBondContact O-N 3.4Å; L1022-A1025 WeakPolarHBondContact O-CB 3.33Å; L1022-A1025 PolarHBondContact O-N 2.94Å; K1023-A1025 VanDerWaalsContact C-N 3.34Å; K1023-A1025 PolarHBondContact O-N 3.17Å; A1025-D1027 VanDerWaalsContact C-N 3.3Å; A1025-D1027 PolarHBondContact O-N 2.95Å; A1025-T1028 WeakPolarHBondContact O-CB 3.36Å; A1025-T1028 PolarHBondContact O-N 3.23Å; A1025-W1031 HydrophobicContact CB-CH2 3.64Å; A1025-W1031 HydrophobicContact CB-CZ2 3.86Å; A1025-W1031 VanDerWaalsContact O-CZ2 3.25Å; A1025-W1031 WeakPolarHBondContact O-CZ2 3.41Å; A1025-I1039 HydrophobicContact CB-CD1 4.32Å; A1025-I1039 HydrophobicContact CB-CG2 4.38Å
1026L91.4Very high92.9Very high75 Ų7538.7 Ų38.739%0.39319%0.185SC..Hα-helixtrans-67.3-27.9175.9-70.1172.7000113.3L1022 K1023 L1024 T1028 L1091 V1095 K1098L1022-L1026 WeakPolarHBondContact O-CG 3.28Å; L1022-L1026 PolarHBondContact O-N 2.93Å; K1023-L1026 WeakPolarHBondContact O-CB 3.44Å; K1023-L1026 PolarHBondContact O-N 3.36Å; K1023-L1026 VanDerWaalsContact O-N 3.17Å; L1024-L1026 VanDerWaalsContact C-N 3.29Å; L1024-L1026 PolarHBondContact O-N 3.26Å; L1026-T1028 VanDerWaalsContact C-N 3.34Å; L1026-L1091 HydrophobicContact CD1-CB 4.21Å; L1026-L1091 HydrophobicContact CD1-CD1 4.12Å; L1026-L1091 HydrophobicContact CD1-CD2 4.13Å; L1026-L1091 HydrophobicContact CD1-CG 4.38Å; L1026-V1095 HydrophobicContact CD1-CG2 3.96Å; L1026-V1095 HydrophobicContact CD2-CG2 4.46Å; L1026-K1098 PolarHBondContact O-NZ 3.42Å
1027D89.4Confident92.8Very high24 Ų2445.8 Ų45.813%0.12822%0.216CC..Hα-helixtrans-83.1-10.4176-66.8-29000112.9Y928 W964 K1023 L1024 A1025 C1029 K1098Y928-D1027 PolarHBondContact OH-O 3.26Å; Y928-D1027 VanDerWaalsContact OH-O 3.1Å; W964-D1027 WeakPolarHBondContact CH2-OD2 3.37Å; K1023-D1027 IonicContact NZ-OD1 3.96Å; K1023-D1027 PolarHBondContact NZ-OD1 3.45Å; K1023-D1027 IonicContact NZ-OD2 2.74Å; K1023-D1027 PolarHBondContact NZ-OD2 2.98Å; K1023-D1027 PolarHBondContact O-N 3.47Å; K1023-D1027 VanDerWaalsContact O-N 3.08Å; L1024-D1027 PolarHBondContact O-N 2.81Å; L1024-D1027 VanDerWaalsContact O-N 3.13Å; A1025-D1027 VanDerWaalsContact C-N 3.3Å; A1025-D1027 PolarHBondContact O-N 2.95Å; D1027-C1029 PolarHBondContact O-N 3.47Å; D1027-K1098 WeakPolarHBondContact OD1-CE 3.38Å; D1027-K1098 IonicContact OD1-NZ 3.65Å; D1027-K1098 PolarHBondContact OD1-NZ 3.14Å
1028T90.8Very high92.7Very high9 Ų946.1 Ų46.16%0.05522%0.218CC..  trans-78.3113.2179.2-54.50000111.1Y928 L1024 A1025 L1026 W1031Y928-T1028 HydrophobicContact CD2-CG2 4.43Å; Y928-T1028 WeakPolarHBondContact CD2-OG1 3.44Å; Y928-T1028 HydrophobicContact CE2-CG2 4.49Å; Y928-T1028 WeakPolarHBondContact CE2-OG1 3Å; L1024-T1028 PolarHBondContact O-N 2.85Å; L1024-T1028 VanDerWaalsContact O-N 3.12Å; L1024-T1028 PolarHBondContact O-OG1 3.45Å; A1025-T1028 WeakPolarHBondContact O-CB 3.36Å; A1025-T1028 PolarHBondContact O-N 3.23Å; L1026-T1028 VanDerWaalsContact C-N 3.34Å; T1028-W1031 HydrophobicContact CG2-CD2 4.21Å; T1028-W1031 HydrophobicContact CG2-CG 4.35Å; T1028-W1031 PolarHBondContact O-NE1 2.9Å
1029C86.9Confident92.6Very high82 Ų8243.9 Ų43.955%0.55421%0.208SC*.SBendtrans-88.1-38.4175.9-59.80000110.9E932 H934 D1027E932-C1029 WeakPolarHBondContact OE1-CA 3.04Å; E932-C1029 WeakPolarHBondContact OE1-CB 3.46Å; E932-C1029 PolarHBondContact OE1-N 3.43Å; H934-C1029 HydrophobicContact CB-CB 4.37Å; D1027-C1029 PolarHBondContact O-N 3.47Å
1030H88.3Confident92.6Very high71 Ų7149.6 Ų49.633%0.32923%0.23SC..SBendtrans-104.199.4177.8-170.713.5000112.6E932 Q933 T1032 N1035E932-H1030 PolarHBondContact OE1-N 3.39Å; E932-H1030 VanDerWaalsContact OE1-N 3.16Å; Q933-H1030 HydrophobicContact CB-CB 4.18Å; H1030-T1032 PolarHBondContact O-N 2.84Å; H1030-N1035 PolarHBondContact O-ND2 3.41Å
1031W91.7Very high92.5Very high94 Ų9451 Ų5136%0.35624%0.244SC..  trans-78.5116.7175.1-74.285.8000111.9A1025 T1028 N1035 H1036 I1039A1025-W1031 HydrophobicContact CB-CH2 3.64Å; A1025-W1031 HydrophobicContact CB-CZ2 3.86Å; A1025-W1031 VanDerWaalsContact O-CZ2 3.25Å; A1025-W1031 WeakPolarHBondContact O-CZ2 3.41Å; T1028-W1031 HydrophobicContact CG2-CD2 4.21Å; T1028-W1031 HydrophobicContact CG2-CG 4.35Å; T1028-W1031 PolarHBondContact O-NE1 2.9Å; W1031-N1035 HydrophobicContact CE3-CB 4.47Å; W1031-H1036 AromaticContact CE3-CE1 3.16Å; W1031-H1036 AromaticContact CE3-ND1 3.45Å; W1031-H1036 AromaticContact CE3-NE2 3.62Å; W1031-H1036 AromaticContact CZ3-CE1 3.52Å; W1031-H1036 AromaticContact CZ3-ND1 3.45Å; W1031-H1036 WeakPolarHBondContact CZ3-ND1 3.17Å; W1031-I1039 HydrophobicContact CH2-CD1 4.05Å; W1031-I1039 HydrophobicContact CZ3-CD1 4.02Å
1032T91.9Very high92.5Very high25 Ų2551.4 Ų51.415%0.15325%0.247CC..  trans-116.6166.1174.565.10000110.5V931 H1030 I1034 N1035 H1036V931-T1032 HydrophobicContact CG1-CG2 3.62Å; H1030-T1032 PolarHBondContact O-N 2.84Å; T1032-I1034 PolarHBondContact O-N 3.39Å; T1032-N1035 PolarHBondContact O-N 3.1Å; T1032-N1035 PolarHBondContact OG1-N 3.01Å; T1032-N1035 PolarHBondContact OG1-ND2 3.3Å; T1032-H1036 PolarHBondContact O-CD2 3.41Å; T1032-H1036 PolarHBondContact O-N 2.92Å; T1032-H1036 VanDerWaalsContact O-N 3.1Å
1033W93.5Very high92.5Very high196 Ų19650 Ų5074%0.74224%0.24SC*.Hα-helixtrans-59.8-32.4175.173-94.7000112.2H1036 F1037W1033-H1036 PolarHBondContact O-N 3.27Å; W1033-F1037 WeakPolarHBondContact O-CB 3.45Å; W1033-F1037 PolarHBondContact O-N 3.3Å
1034I92.2Very high92.5Very high47 Ų4755 Ų5524%0.24127%0.266CS..Hα-helixtrans-64.7-48.5176.2-58.2176.8000109.7L927 V931 T1032 H1036 F1037 V1038L927-I1034 HydrophobicContact CB-CG2 4.33Å; L927-I1034 HydrophobicContact CD1-CG2 4.12Å; L927-I1034 HydrophobicContact CD2-CG2 4.33Å; V931-I1034 HydrophobicContact CG2-CD1 4.32Å; T1032-I1034 PolarHBondContact O-N 3.39Å; I1034-H1036 VanDerWaalsContact C-N 3.33Å; I1034-H1036 PolarHBondContact O-N 3.27Å; I1034-F1037 PolarHBondContact O-N 3.46Å; I1034-V1038 HydrophobicContact CG2-CG2 4.13Å; I1034-V1038 WeakPolarHBondContact O-CB 3.37Å; I1034-V1038 WeakPolarHBondContact O-CG2 3.44Å; I1034-V1038 PolarHBondContact O-N 2.98Å
1035N90.6Very high92.5Very high3 Ų359.5 Ų59.52%0.01629%0.286CS..Hα-helixtrans-59.4-44.9178.9-69.8-22.2000111.1H1030 W1031 T1032 V1038 I1039H1030-N1035 PolarHBondContact O-ND2 3.41Å; W1031-N1035 HydrophobicContact CE3-CB 4.47Å; T1032-N1035 PolarHBondContact O-N 3.1Å; T1032-N1035 PolarHBondContact OG1-N 3.01Å; T1032-N1035 PolarHBondContact OG1-ND2 3.3Å; N1035-V1038 PolarHBondContact O-N 3.47Å; N1035-I1039 VanDerWaalsContact O-CB 3.29Å; N1035-I1039 WeakPolarHBondContact O-CB 3.38Å; N1035-I1039 VanDerWaalsContact O-CG1 3.23Å; N1035-I1039 WeakPolarHBondContact O-CG1 3.26Å; N1035-I1039 PolarHBondContact O-N 3.49Å
1036H92.8Very high92.6Very high81 Ų8159 Ų5938%0.37528%0.282SS..Hα-helixtrans-60.8-49174.7-76.8-55.7000112.7W1031 T1032 W1033 I1034 V1038 W1040W1031-H1036 AromaticContact CE3-CE1 3.16Å; W1031-H1036 AromaticContact CE3-ND1 3.45Å; W1031-H1036 AromaticContact CE3-NE2 3.62Å; W1031-H1036 AromaticContact CZ3-CE1 3.52Å; W1031-H1036 AromaticContact CZ3-ND1 3.45Å; W1031-H1036 WeakPolarHBondContact CZ3-ND1 3.17Å; T1032-H1036 PolarHBondContact O-CD2 3.41Å; T1032-H1036 PolarHBondContact O-N 2.92Å; T1032-H1036 VanDerWaalsContact O-N 3.1Å; W1033-H1036 PolarHBondContact O-N 3.27Å; I1034-H1036 VanDerWaalsContact C-N 3.33Å; I1034-H1036 PolarHBondContact O-N 3.27Å; H1036-V1038 VanDerWaalsContact C-N 3.27Å; H1036-V1038 PolarHBondContact O-N 3.3Å; H1036-W1040 AromaticContact ND1-CD1 3.95Å; H1036-W1040 AromaticContact ND1-NE1 3.26Å; H1036-W1040 PolarHBondContact ND1-NE1 2.93Å; H1036-W1040 WeakPolarHBondContact O-CB 3.17Å; H1036-W1040 PolarHBondContact O-N 3.41Å; H1036-W1040 VanDerWaalsContact O-N 3.16Å
1037F94.4Very high92.7Very high149 Ų14957.3 Ų57.365%0.65428%0.275SS*.Hα-helixtrans-58.1-41.8-179176.1-106000111.8W1033 I1034 G1041W1033-F1037 WeakPolarHBondContact O-CB 3.45Å; W1033-F1037 PolarHBondContact O-N 3.3Å; I1034-F1037 PolarHBondContact O-N 3.46Å; F1037-G1041 WeakPolarHBondContact O-CA 3.36Å; F1037-G1041 PolarHBondContact O-N 3.03Å
1038V93.6Very high92.9Very high7 Ų759.9 Ų59.94%0.04229%0.287CS..Hα-helixtrans-83.3-43.2-171.5-178.60000112L923 P924 L927 I1034 N1035 H1036 S1042L923-V1038 HydrophobicContact CB-CG1 4.17Å; L923-V1038 HydrophobicContact CD2-CG1 4.05Å; L923-V1038 HydrophobicContact CG-CG1 3.77Å; P924-V1038 VanDerWaalsContact CA-CG1 3.49Å; P924-V1038 HydrophobicContact CB-CG1 4.2Å; P924-V1038 HydrophobicContact CG-CG1 4.03Å; L927-V1038 HydrophobicContact CB-CG2 4.41Å; L927-V1038 HydrophobicContact CD1-CB 4.19Å; L927-V1038 HydrophobicContact CD1-CG1 4.01Å; L927-V1038 HydrophobicContact CD1-CG2 3.21Å; L927-V1038 HydrophobicContact CG-CG2 4.4Å; I1034-V1038 HydrophobicContact CG2-CG2 4.13Å; I1034-V1038 WeakPolarHBondContact O-CB 3.37Å; I1034-V1038 WeakPolarHBondContact O-CG2 3.44Å; I1034-V1038 PolarHBondContact O-N 2.98Å; N1035-V1038 PolarHBondContact O-N 3.47Å; H1036-V1038 VanDerWaalsContact C-N 3.27Å; H1036-V1038 PolarHBondContact O-N 3.3Å; V1038-S1042 WeakPolarHBondContact O-CB 3.35Å; V1038-S1042 PolarHBondContact O-N 3.26Å
1039I93.4Very high93.1Very high4 Ų461.3 Ų61.32%0.02129%0.293CS..Hα-helixtrans-63.9-52.9179.1-68.2172.6000109.5P924 T1021 A1025 W1031 N1035 S1042 L1043P924-I1039 HydrophobicContact CB-CG1 4.41Å; T1021-I1039 HydrophobicContact CG2-CG2 3.81Å; A1025-I1039 HydrophobicContact CB-CD1 4.32Å; A1025-I1039 HydrophobicContact CB-CG2 4.38Å; W1031-I1039 HydrophobicContact CH2-CD1 4.05Å; W1031-I1039 HydrophobicContact CZ3-CD1 4.02Å; N1035-I1039 VanDerWaalsContact O-CB 3.29Å; N1035-I1039 WeakPolarHBondContact O-CB 3.38Å; N1035-I1039 VanDerWaalsContact O-CG1 3.23Å; N1035-I1039 WeakPolarHBondContact O-CG1 3.26Å; N1035-I1039 PolarHBondContact O-N 3.49Å; I1039-S1042 PolarHBondContact O-N 3.45Å; I1039-L1043 PolarHBondContact O-N 3.05Å
1040W95.2Very high93.3Very high120 Ų12057.4 Ų57.446%0.45527%0.267SS..Hα-helixtrans-72.2-36.6-179.9-53.8132.4000112.1L1022 H1036 S1042 L1043 L1044L1022-W1040 HydrophobicContact CD2-CH2 4.15Å; L1022-W1040 HydrophobicContact CD2-CZ3 4Å; H1036-W1040 AromaticContact ND1-CD1 3.95Å; H1036-W1040 AromaticContact ND1-NE1 3.26Å; H1036-W1040 PolarHBondContact ND1-NE1 2.93Å; H1036-W1040 WeakPolarHBondContact O-CB 3.17Å; H1036-W1040 PolarHBondContact O-N 3.41Å; H1036-W1040 VanDerWaalsContact O-N 3.16Å; W1040-S1042 VanDerWaalsContact C-N 3.32Å; W1040-S1042 PolarHBondContact O-N 3.22Å; W1040-L1043 HydrophobicContact CE3-CD1 3.98Å; W1040-L1043 HydrophobicContact CZ3-CD1 4.06Å; W1040-L1043 PolarHBondContact O-N 3.39Å; W1040-L1044 WeakPolarHBondContact O-CB 3.36Å; W1040-L1044 PolarHBondContact O-N 2.98Å
1041G94.9Very high93.4Very high29 Ų2956.4 Ų56.430%0.29926%0.263SS..Hα-helixtrans-62.6-37.2175.400000112.8F1037 F1045F1037-G1041 WeakPolarHBondContact O-CA 3.36Å; F1037-G1041 PolarHBondContact O-N 3.03Å; G1041-F1045 WeakPolarHBondContact O-CB 3.46Å; G1041-F1045 PolarHBondContact O-N 2.92Å
1042S94.6Very high93.4Very high10 Ų1056.4 Ų56.47%0.0727%0.27CS..Hα-helixtrans-64.7-46.9174.3157.30000112.2F920 V1038 I1039 W1040 F1045 Y1046F920-S1042 PolarHBondContact O-OG 3.26Å; V1038-S1042 WeakPolarHBondContact O-CB 3.35Å; V1038-S1042 PolarHBondContact O-N 3.26Å; I1039-S1042 PolarHBondContact O-N 3.45Å; W1040-S1042 VanDerWaalsContact C-N 3.32Å; W1040-S1042 PolarHBondContact O-N 3.22Å; S1042-F1045 PolarHBondContact O-N 3.36Å; S1042-Y1046 PolarHBondContact O-N 3.02Å
1043L94.9Very high93.2Very high12 Ų1257 Ų576%0.06327%0.269CS..Hα-helixtrans-62.4-44.5177-68.3179.7000111.5V1017 F1018 T1021 I1039 W1040 F1045 Y1046 V1047V1017-L1043 HydrophobicContact CG1-CD2 4.12Å; F1018-L1043 HydrophobicContact CD1-CD1 4.19Å; F1018-L1043 HydrophobicContact CD1-CD2 4.15Å; F1018-L1043 HydrophobicContact CD2-CD2 4.17Å; F1018-L1043 HydrophobicContact CE1-CD1 4.21Å; F1018-L1043 HydrophobicContact CE1-CD2 4.35Å; F1018-L1043 HydrophobicContact CE2-CD2 4.38Å; F1018-L1043 HydrophobicContact CG-CD2 4.06Å; F1018-L1043 HydrophobicContact CZ-CD2 4.47Å; T1021-L1043 HydrophobicContact CG2-CD1 4.2Å; T1021-L1043 HydrophobicContact CG2-CD2 3.93Å; T1021-L1043 HydrophobicContact CG2-CG 3.86Å; I1039-L1043 PolarHBondContact O-N 3.05Å; W1040-L1043 HydrophobicContact CE3-CD1 3.98Å; W1040-L1043 HydrophobicContact CZ3-CD1 4.06Å; W1040-L1043 PolarHBondContact O-N 3.39Å; L1043-F1045 VanDerWaalsContact C-N 3.35Å; L1043-Y1046 PolarHBondContact O-N 3.31Å; L1043-V1047 WeakPolarHBondContact O-CG2 3.26Å; L1043-V1047 PolarHBondContact O-N 2.95Å; L1043-V1047 VanDerWaalsContact O-N 3.12Å
1044L95.1Very high92.9Very high106 Ų10647.8 Ų47.856%0.55524%0.235SC*.Hα-helixtrans-62.2-43.7175.8-179.762000111.3W1040 Y1046 V1047 I1048W1040-L1044 WeakPolarHBondContact O-CB 3.36Å; W1040-L1044 PolarHBondContact O-N 2.98Å; L1044-Y1046 VanDerWaalsContact C-N 3.34Å; L1044-Y1046 PolarHBondContact O-N 3.34Å; L1044-V1047 PolarHBondContact O-N 3.34Å; L1044-I1048 HydrophobicContact CD1-CD1 3.93Å; L1044-I1048 HydrophobicContact CD1-CG1 4.18Å; L1044-I1048 HydrophobicContact CD2-CD1 4.36Å; L1044-I1048 HydrophobicContact CG-CD1 3.75Å; L1044-I1048 HydrophobicContact CG-CG1 4.37Å; L1044-I1048 WeakPolarHBondContact O-CG1 3.34Å; L1044-I1048 PolarHBondContact O-N 2.89Å
1045F94.6Very high92.4Very high95 Ų9547.4 Ų47.442%0.41724%0.243SC..Hα-helixtrans-60.6-42177.2174.4-108.1000111.7F920 G1041 S1042 L1043 I1048 F1049F920-F1045 AromaticContact CD1-CD1 3.74Å; F920-F1045 HydrophobicContact CD1-CD1 3.74Å; F920-F1045 AromaticContact CD1-CE1 3.73Å; F920-F1045 HydrophobicContact CD1-CE1 3.73Å; F920-F1045 AromaticContact CE1-CD1 3.89Å; F920-F1045 HydrophobicContact CE1-CD1 3.89Å; F920-F1045 AromaticContact CE1-CE1 3.59Å; F920-F1045 HydrophobicContact CE1-CE1 3.59Å; G1041-F1045 WeakPolarHBondContact O-CB 3.46Å; G1041-F1045 PolarHBondContact O-N 2.92Å; S1042-F1045 PolarHBondContact O-N 3.36Å; L1043-F1045 VanDerWaalsContact C-N 3.35Å; F1045-I1048 PolarHBondContact O-N 3.1Å; F1045-F1049 WeakPolarHBondContact O-CB 3.42Å; F1045-F1049 PolarHBondContact O-N 3.28Å
1046Y95Very high92.2Very high0 Ų050.9 Ų50.90%026%0.26CS..Hα-helixtrans-60.3-45.8174.5164.3-109.2000112.4Y912 F920 F1013 T1014 V1017 F1018 S1042 L1043 L1044 F1049 S1050Y912-Y1046 HydrophobicContact CE1-CE2 4.35Å; F920-Y1046 HydrophobicContact CD1-CD2 4.45Å; F920-Y1046 HydrophobicContact CD2-CD2 4.2Å; F920-Y1046 HydrophobicContact CE1-CD2 4.31Å; F920-Y1046 HydrophobicContact CE2-CD2 4.05Å; F920-Y1046 HydrophobicContact CG-CD2 4.44Å; F920-Y1046 HydrophobicContact CZ-CD2 4.12Å; F1013-Y1046 AromaticContact CD1-CE2 3.6Å; F1013-Y1046 HydrophobicContact CD1-CE2 3.6Å; F1013-Y1046 AromaticContact CD1-CZ 3.91Å; F1013-Y1046 HydrophobicContact CE1-CD2 4.08Å; F1013-Y1046 AromaticContact CE1-CE2 3.53Å; F1013-Y1046 HydrophobicContact CE1-CE2 3.53Å; T1014-Y1046 HydrophobicContact CG2-CE1 4.21Å; T1014-Y1046 PolarHBondContact OG1-OH 2.97Å; V1017-Y1046 HydrophobicContact CB-CD1 4.42Å; V1017-Y1046 HydrophobicContact CG1-CD1 4.03Å; V1017-Y1046 HydrophobicContact CG1-CG 3.97Å; V1017-Y1046 HydrophobicContact CG2-CD2 4.46Å; F1018-Y1046 HydrophobicContact CE2-CD1 4.1Å; F1018-Y1046 HydrophobicContact CE2-CE1 4.23Å; S1042-Y1046 PolarHBondContact O-N 3.02Å; L1043-Y1046 PolarHBondContact O-N 3.31Å; L1044-Y1046 VanDerWaalsContact C-N 3.34Å; L1044-Y1046 PolarHBondContact O-N 3.34Å; Y1046-F1049 PolarHBondContact O-N 3.35Å; Y1046-S1050 WeakPolarHBondContact CE2-OG 3.4Å; Y1046-S1050 WeakPolarHBondContact O-CB 3.47Å; Y1046-S1050 PolarHBondContact O-N 2.63Å; Y1046-S1050 PolarHBondContact O-OG 2.9Å
1047V93.8Very high91.6Very high40 Ų4052 Ų5224%0.24227%0.268CS..Hα-helixtrans-63.2-49.6178.51740000110.4F1018 L1043 L1044 F1049 S1050 L1051 F1070F1018-V1047 HydrophobicContact CE2-CG2 4.37Å; F1018-V1047 HydrophobicContact CZ-CG2 4.23Å; L1043-V1047 WeakPolarHBondContact O-CG2 3.26Å; L1043-V1047 PolarHBondContact O-N 2.95Å; L1043-V1047 VanDerWaalsContact O-N 3.12Å; L1044-V1047 PolarHBondContact O-N 3.34Å; V1047-F1049 PolarHBondContact O-N 3.02Å; V1047-S1050 PolarHBondContact O-N 2.95Å; V1047-L1051 HydrophobicContact CG1-CD1 3.98Å; V1047-L1051 HydrophobicContact CG1-CG 4.5Å; V1047-L1051 VanDerWaalsContact O-CG 3.26Å; V1047-L1051 WeakPolarHBondContact O-CG 3.49Å; V1047-L1051 PolarHBondContact O-N 3.31Å; V1047-F1070 HydrophobicContact CG1-CE1 4.28Å; V1047-F1070 HydrophobicContact CG1-CZ 4.49Å
1048I93.8Very high91Very high77 Ų7748.4 Ų48.440%0.39525%0.25SS..Hα-helixtrans-59.7-47.1177.9-68.3172.1000110.8L1044 F1045 S1050 L1051 L1052L1044-I1048 HydrophobicContact CD1-CD1 3.93Å; L1044-I1048 HydrophobicContact CD1-CG1 4.18Å; L1044-I1048 HydrophobicContact CD2-CD1 4.36Å; L1044-I1048 HydrophobicContact CG-CD1 3.75Å; L1044-I1048 HydrophobicContact CG-CG1 4.37Å; L1044-I1048 WeakPolarHBondContact O-CG1 3.34Å; L1044-I1048 PolarHBondContact O-N 2.89Å; F1045-I1048 PolarHBondContact O-N 3.1Å; I1048-S1050 VanDerWaalsContact C-N 3.32Å; I1048-S1050 PolarHBondContact O-N 2.97Å; I1048-L1051 PolarHBondContact O-N 2.95Å; I1048-L1052 HydrophobicContact CG2-CD1 3.82Å; I1048-L1052 HydrophobicContact CG2-CG 4.33Å; I1048-L1052 WeakPolarHBondContact O-CG 3.31Å; I1048-L1052 PolarHBondContact O-N 3.32Å
1049F93.4Very high90.4Very high40 Ų4054.2 Ų54.218%0.17529%0.288CS..Hα-helixtrans-58.4-45.5178.3176.5-90.3000111.3A911 Y912 L915 F920 F1045 Y1046 V1047 L1051 L1052 W1053A911-F1049 HydrophobicContact CB-CE1 4.45Å; A911-F1049 HydrophobicContact CB-CZ 4.24Å; Y912-F1049 HydrophobicContact CD1-CE1 4.27Å; Y912-F1049 HydrophobicContact CE1-CD1 4.23Å; Y912-F1049 HydrophobicContact CE1-CE1 4.03Å; L915-F1049 HydrophobicContact CD1-CD1 4.29Å; L915-F1049 HydrophobicContact CD1-CD2 4.06Å; L915-F1049 HydrophobicContact CD1-CE1 3.65Å; L915-F1049 HydrophobicContact CD1-CE2 3.38Å; L915-F1049 HydrophobicContact CD1-CG 4.48Å; L915-F1049 HydrophobicContact CD1-CZ 3.15Å; F920-F1049 HydrophobicContact CE1-CB 4.12Å; F920-F1049 HydrophobicContact CE1-CD1 4.11Å; F920-F1049 HydrophobicContact CE1-CG 4.09Å; F920-F1049 HydrophobicContact CZ-CB 4.36Å; F920-F1049 AromaticContact CZ-CD1 3.5Å; F920-F1049 HydrophobicContact CZ-CD1 3.5Å; F920-F1049 VanDerWaalsContact CZ-CD1 3.5Å; F920-F1049 AromaticContact CZ-CE1 3.98Å; F920-F1049 HydrophobicContact CZ-CE1 3.98Å; F920-F1049 AromaticContact CZ-CG 3.94Å; F920-F1049 HydrophobicContact CZ-CG 3.94Å; F1045-F1049 WeakPolarHBondContact O-CB 3.42Å; F1045-F1049 PolarHBondContact O-N 3.28Å; Y1046-F1049 PolarHBondContact O-N 3.35Å; V1047-F1049 PolarHBondContact O-N 3.02Å; F1049-L1051 VanDerWaalsContact C-N 3.34Å; F1049-L1051 PolarHBondContact O-N 3.49Å; F1049-L1052 PolarHBondContact O-N 3.27Å; F1049-W1053 HydrophobicContact CD1-CB 4.37Å; F1049-W1053 HydrophobicContact CE1-CB 3.93Å; F1049-W1053 HydrophobicContact CE1-CG 4.09Å; F1049-W1053 HydrophobicContact CZ-CB 4.06Å; F1049-W1053 HydrophobicContact CZ-CD2 4.18Å; F1049-W1053 HydrophobicContact CZ-CE3 4.32Å; F1049-W1053 HydrophobicContact CZ-CG 4.08Å; F1049-W1053 WeakPolarHBondContact O-CB 3.15Å; F1049-W1053 PolarHBondContact O-N 3.05Å
1050S91.3Very high89.9Confident0 Ų060.3 Ų60.30%032%0.315CS..Hα-helixtrans-67.3-34-179.4-61.90000112.7Y912 Y1046 V1047 I1048 G1054Y912-S1050 WeakPolarHBondContact OH-CB 3.42Å; Y912-S1050 PolarHBondContact OH-OG 3.18Å; Y1046-S1050 WeakPolarHBondContact CE2-OG 3.4Å; Y1046-S1050 WeakPolarHBondContact O-CB 3.47Å; Y1046-S1050 PolarHBondContact O-N 2.63Å; Y1046-S1050 PolarHBondContact O-OG 2.9Å; V1047-S1050 PolarHBondContact O-N 2.95Å; I1048-S1050 VanDerWaalsContact C-N 3.32Å; I1048-S1050 PolarHBondContact O-N 2.97Å; S1050-G1054 PolarHBondContact O-N 3.25Å
1051L91.4Very high89Confident50 Ų5057 Ų5726%0.26231%0.306SS..Hα-helixtrans-66.9-42.8172.4-65.8166.9000111.8V1047 I1048 F1049 G1055 F1070 M1071 L1074V1047-L1051 HydrophobicContact CG1-CD1 3.98Å; V1047-L1051 HydrophobicContact CG1-CG 4.5Å; V1047-L1051 VanDerWaalsContact O-CG 3.26Å; V1047-L1051 WeakPolarHBondContact O-CG 3.49Å; V1047-L1051 PolarHBondContact O-N 3.31Å; I1048-L1051 PolarHBondContact O-N 2.95Å; F1049-L1051 VanDerWaalsContact C-N 3.34Å; F1049-L1051 PolarHBondContact O-N 3.49Å; L1051-G1055 WeakPolarHBondContact O-CA 3.39Å; L1051-G1055 PolarHBondContact O-N 3.28Å; L1051-F1070 HydrophobicContact CD2-CD1 3.61Å; L1051-F1070 HydrophobicContact CD2-CE1 3.81Å; L1051-F1070 HydrophobicContact CG-CD1 3.9Å; L1051-F1070 HydrophobicContact CG-CE1 3.82Å; L1051-M1071 HydrophobicContact CB-CE 4.12Å; L1051-M1071 HydrophobicContact CD2-CE 3.25Å; L1051-M1071 HydrophobicContact CD2-SD 3.46Å; L1051-M1071 WeakPolarHBondContact CD2-SD 3.46Å; L1051-M1071 HydrophobicContact CG-CE 4.22Å; L1051-L1074 HydrophobicContact CD2-CD1 4.02Å
1052L90.5Very high87.8Confident93 Ų9362.9 Ų62.949%0.48733%0.33SS..Hα-helixtrans-71.7-45.5179.5-68.8174.6000112.1I1048 F1049 G1055 I1056I1048-L1052 HydrophobicContact CG2-CD1 3.82Å; I1048-L1052 HydrophobicContact CG2-CG 4.33Å; I1048-L1052 WeakPolarHBondContact O-CG 3.31Å; I1048-L1052 PolarHBondContact O-N 3.32Å; F1049-L1052 PolarHBondContact O-N 3.27Å; L1052-G1055 PolarHBondContact O-N 3.08Å; L1052-I1056 HydrophobicContact CD2-CD1 4.29Å; L1052-I1056 PolarHBondContact O-N 3.04Å; L1052-I1056 VanDerWaalsContact O-N 3.14Å
1053W88.8Confident86.5Confident38 Ų3870.3 Ų70.314%0.14436%0.358CS..Hα-helixtrans-63.7-41.6179.2-172.2-114.3000111.8D909 A911 F1049 W1058 F1060 L1061D909-W1053 PolarHBondContact OD2-NE1 2.92Å; A911-W1053 HydrophobicContact CB-CD2 4.3Å; A911-W1053 HydrophobicContact CB-CZ2 3.75Å; F1049-W1053 HydrophobicContact CD1-CB 4.37Å; F1049-W1053 HydrophobicContact CE1-CB 3.93Å; F1049-W1053 HydrophobicContact CE1-CG 4.09Å; F1049-W1053 HydrophobicContact CZ-CB 4.06Å; F1049-W1053 HydrophobicContact CZ-CD2 4.18Å; F1049-W1053 HydrophobicContact CZ-CE3 4.32Å; F1049-W1053 HydrophobicContact CZ-CG 4.08Å; F1049-W1053 WeakPolarHBondContact O-CB 3.15Å; F1049-W1053 PolarHBondContact O-N 3.05Å; W1053-W1058 AromaticContact CE3-CD1 3.97Å; W1053-W1058 HydrophobicContact CE3-CZ2 4.5Å; W1053-W1058 AromaticContact CE3-NE1 3.55Å; W1053-W1058 HydrophobicContact CZ3-CD2 4.45Å; W1053-W1058 HydrophobicContact CZ3-CG 4.32Å; W1053-W1058 AromaticContact CZ3-NE1 3.94Å; W1053-F1060 HydrophobicContact CH2-CE2 4.28Å; W1053-F1060 HydrophobicContact CH2-CZ 4.21Å; W1053-F1060 HydrophobicContact CZ3-CZ 4.09Å; W1053-L1061 HydrophobicContact CH2-CD1 3.78Å; W1053-L1061 HydrophobicContact CH2-CD2 4.07Å; W1053-L1061 HydrophobicContact CH2-CG 4.34Å; W1053-L1061 HydrophobicContact CZ2-CD1 3.82Å; W1053-L1061 HydrophobicContact CZ2-CD2 4.33Å
1054G86.1Confident85.7Confident3 Ų373 Ų733%0.03137%0.37CS..Hα-helixtrans-83.2-18.8177.200000114.8S1050 M1066 Y1067 Y1068S1050-G1054 PolarHBondContact O-N 3.25Å; G1054-M1066 WeakPolarHBondContact CA-O 3.26Å; G1054-Y1067 WeakPolarHBondContact O-CA 3.41Å; G1054-Y1068 PolarHBondContact O-N 3.48Å
1055G83.4Confident85.1Confident38 Ų3873.9 Ų73.939%0.39237%0.366SS..Hα-helixtrans-92.7-27.3-175.800000114.8L1051 L1052L1051-G1055 WeakPolarHBondContact O-CA 3.39Å; L1051-G1055 PolarHBondContact O-N 3.28Å; L1052-G1055 PolarHBondContact O-N 3.08Å
1056I85.4Confident84.7Confident76 Ų7669.9 Ų69.939%0.3935%0.349SS..SBendtrans-102135.2-177.1-59.9172.9000109.9L1052 W1058L1052-I1056 HydrophobicContact CD2-CD1 4.29Å; L1052-I1056 PolarHBondContact O-N 3.04Å; L1052-I1056 VanDerWaalsContact O-N 3.14Å; I1056-W1058 HydrophobicContact CB-CZ2 4.28Å; I1056-W1058 HydrophobicContact CD1-CZ2 4.2Å; I1056-W1058 HydrophobicContact CG2-CD2 4.21Å; I1056-W1058 HydrophobicContact CG2-CZ2 4.36Å; I1056-W1058 PolarHBondContact O-N 3.12Å; I1056-W1058 PolarHBondContact O-NE1 2.68Å
1057I80.2Confident84.2Confident105 Ų10575.7 Ų75.754%0.53837%0.372SS..  trans-81.4111.1169.9-60.4176.1000108P1059 Q1064 Y1067I1057-P1059 WeakPolarHBondContact O-CD 3.41Å; I1057-Q1064 HydrophobicContact CG2-CG 4.11Å; I1057-Y1067 HydrophobicContact CD1-CE2 4.04Å; I1057-Y1067 HydrophobicContact CG1-CD2 3.79Å; I1057-Y1067 HydrophobicContact CG1-CE2 3.61Å
1058W82.2Confident83.9Confident73 Ų7379.8 Ų79.828%0.27738%0.384SS..  trans-88.9119.8-174.8-66.796.4000111.9W1053 I1056 F1060 L1061 Q1064W1053-W1058 AromaticContact CE3-CD1 3.97Å; W1053-W1058 HydrophobicContact CE3-CZ2 4.5Å; W1053-W1058 AromaticContact CE3-NE1 3.55Å; W1053-W1058 HydrophobicContact CZ3-CD2 4.45Å; W1053-W1058 HydrophobicContact CZ3-CG 4.32Å; W1053-W1058 AromaticContact CZ3-NE1 3.94Å; I1056-W1058 HydrophobicContact CB-CZ2 4.28Å; I1056-W1058 HydrophobicContact CD1-CZ2 4.2Å; I1056-W1058 HydrophobicContact CG2-CD2 4.21Å; I1056-W1058 HydrophobicContact CG2-CZ2 4.36Å; I1056-W1058 PolarHBondContact O-N 3.12Å; I1056-W1058 PolarHBondContact O-NE1 2.68Å; W1058-F1060 HydrophobicContact CB-CD1 4.2Å; W1058-F1060 HydrophobicContact CB-CE1 3.83Å; W1058-F1060 HydrophobicContact CB-CZ 4.05Å; W1058-F1060 AromaticContact CD2-CE1 3.91Å; W1058-F1060 HydrophobicContact CD2-CE1 3.91Å; W1058-F1060 HydrophobicContact CD2-CZ 4.2Å; W1058-F1060 HydrophobicContact CE3-CD1 4.34Å; W1058-F1060 AromaticContact CE3-CE1 3.44Å; W1058-F1060 HydrophobicContact CE3-CE1 3.44Å; W1058-F1060 VanDerWaalsContact CE3-CE1 3.44Å; W1058-F1060 HydrophobicContact CE3-CZ 4.12Å; W1058-F1060 HydrophobicContact CG-CE1 4.11Å; W1058-F1060 HydrophobicContact CG-CZ 4.2Å; W1058-F1060 HydrophobicContact CZ3-CE1 4.24Å; W1058-F1060 PolarHBondContact O-N 3.3Å; W1058-F1060 VanDerWaalsContact O-N 3.13Å; W1058-L1061 HydrophobicContact CB-CB 4.49Å; W1058-L1061 HydrophobicContact CB-CD1 3.79Å; W1058-L1061 HydrophobicContact CB-CG 3.91Å; W1058-L1061 HydrophobicContact CG-CD1 4.27Å; W1058-L1061 PolarHBondContact O-N 3.06Å; W1058-L1061 VanDerWaalsContact O-N 3.17Å; W1058-Q1064 PolarHBondContact O-NE2 3.43Å
1059P80.9Confident83.5Confident129 Ų12976.8 Ų76.884%0.83837%0.369SS*.THydrogen-bonded Turntrans-63.3-22.7-174.5-23.933.6000115.2I1057I1057-P1059 WeakPolarHBondContact O-CD 3.41Å
1060F81.7Confident83.3Confident132 Ų13275.1 Ų75.158%0.57936%0.361SS*.THydrogen-bonded Turntrans-87.4-5.1-178.564.9-97.6000113.7W1053 W1058W1053-F1060 HydrophobicContact CH2-CE2 4.28Å; W1053-F1060 HydrophobicContact CH2-CZ 4.21Å; W1053-F1060 HydrophobicContact CZ3-CZ 4.09Å; W1058-F1060 HydrophobicContact CB-CD1 4.2Å; W1058-F1060 HydrophobicContact CB-CE1 3.83Å; W1058-F1060 HydrophobicContact CB-CZ 4.05Å; W1058-F1060 AromaticContact CD2-CE1 3.91Å; W1058-F1060 HydrophobicContact CD2-CE1 3.91Å; W1058-F1060 HydrophobicContact CD2-CZ 4.2Å; W1058-F1060 HydrophobicContact CE3-CD1 4.34Å; W1058-F1060 AromaticContact CE3-CE1 3.44Å; W1058-F1060 HydrophobicContact CE3-CE1 3.44Å; W1058-F1060 VanDerWaalsContact CE3-CE1 3.44Å; W1058-F1060 HydrophobicContact CE3-CZ 4.12Å; W1058-F1060 HydrophobicContact CG-CE1 4.11Å; W1058-F1060 HydrophobicContact CG-CZ 4.2Å; W1058-F1060 HydrophobicContact CZ3-CE1 4.24Å; W1058-F1060 PolarHBondContact O-N 3.3Å; W1058-F1060 VanDerWaalsContact O-N 3.13Å
1061L77.2Confident83.1Confident51 Ų5178.5 Ų78.527%0.26738%0.378SS..  trans-92.1122.8178.2-66.8178.6000110.5W1053 W1058 Y1063 Q1064W1053-L1061 HydrophobicContact CH2-CD1 3.78Å; W1053-L1061 HydrophobicContact CH2-CD2 4.07Å; W1053-L1061 HydrophobicContact CH2-CG 4.34Å; W1053-L1061 HydrophobicContact CZ2-CD1 3.82Å; W1053-L1061 HydrophobicContact CZ2-CD2 4.33Å; W1058-L1061 HydrophobicContact CB-CB 4.49Å; W1058-L1061 HydrophobicContact CB-CD1 3.79Å; W1058-L1061 HydrophobicContact CB-CG 3.91Å; W1058-L1061 HydrophobicContact CG-CD1 4.27Å; W1058-L1061 PolarHBondContact O-N 3.06Å; W1058-L1061 VanDerWaalsContact O-N 3.17Å; L1061-Y1063 PolarHBondContact O-N 3.03Å; L1061-Q1064 PolarHBondContact O-NE2 3.21Å
1062N69.9Low82.6Confident153 Ų15378 Ų7882%0.81838%0.375SS*.SBendtrans-64.8-24.6176.1-68.3-12.7000113.1
1063Y68.1Low82.4Confident166 Ų16673.8 Ų73.865%0.65135%0.352SS*.  trans-142.9124.8179.6-60.7-80.5000111.1L1061 R1065L1061-Y1063 PolarHBondContact O-N 3.03Å; Y1063-R1065 VanDerWaalsContact C-N 3.33Å; Y1063-R1065 PolarHBondContact O-N 3.13Å; Y1063-R1065 VanDerWaalsContact O-N 3.11Å
1064Q77.7Confident82.2Confident68 Ų6873.9 Ų73.932%0.31836%0.356SS..  trans-8860.2-177.9-57.9-65.5-30.900112.1I1057 W1058 L1061 M1066 Y1067I1057-Q1064 HydrophobicContact CG2-CG 4.11Å; W1058-Q1064 PolarHBondContact O-NE2 3.43Å; L1061-Q1064 PolarHBondContact O-NE2 3.21Å; Q1064-M1066 VanDerWaalsContact C-N 3.32Å; Q1064-M1066 PolarHBondContact O-N 3.22Å; Q1064-Y1067 PolarHBondContact O-N 3.31Å
1065R82.8Confident82Confident124 Ų12478.4 Ų78.447%0.46839%0.387SS..THydrogen-bonded Turntrans-69.6-25.2-170.1-56.3179.3-165176.41.5114.5W1006 Y1063W1006-R1065 HydrophobicContact CZ2-CB 4.45Å; Y1063-R1065 VanDerWaalsContact C-N 3.33Å; Y1063-R1065 PolarHBondContact O-N 3.13Å; Y1063-R1065 VanDerWaalsContact O-N 3.11Å
1066M84.3Confident81.9Confident12 Ų1276.8 Ų76.86%0.05937%0.369CS..THydrogen-bonded Turntrans-99.53-176.2-65.1-64-89.500113.7D909 Y912 W1006 T1010 G1054 Q1064 Y1068 V1069D909-M1066 HydrophobicContact CB-CE 3.64Å; D909-M1066 HydrophobicContact CB-CG 3.85Å; D909-M1066 HydrophobicContact CB-SD 3.74Å; Y912-M1066 HydrophobicContact CD2-CE 3.97Å; Y912-M1066 HydrophobicContact CE2-CE 3.29Å; W1006-M1066 HydrophobicContact CB-SD 4Å; W1006-M1066 HydrophobicContact CD2-SD 4.37Å; W1006-M1066 HydrophobicContact CE3-SD 4.14Å; W1006-M1066 HydrophobicContact CG-SD 4.35Å; T1010-M1066 WeakPolarHBondContact OG1-CE 3.44Å; G1054-M1066 WeakPolarHBondContact CA-O 3.26Å; Q1064-M1066 VanDerWaalsContact C-N 3.32Å; Q1064-M1066 PolarHBondContact O-N 3.22Å; M1066-Y1068 PolarHBondContact O-N 3.47Å; M1066-V1069 PolarHBondContact O-N 3Å
1067Y86.4Confident81.7Confident121 Ų12174.9 Ų74.948%0.47537%0.368SS..THydrogen-bonded Turntrans-59.9124.2-176.7-177.8-106.6000111.1G1054 I1057 Q1064 V1069G1054-Y1067 WeakPolarHBondContact O-CA 3.41Å; I1057-Y1067 HydrophobicContact CD1-CE2 4.04Å; I1057-Y1067 HydrophobicContact CG1-CD2 3.79Å; I1057-Y1067 HydrophobicContact CG1-CE2 3.61Å; Q1064-Y1067 PolarHBondContact O-N 3.31Å; Y1067-V1069 PolarHBondContact O-N 3.4Å
1068Y85.9Confident81.8Confident127 Ų12771.8 Ų71.850%0.49836%0.355SS..THydrogen-bonded Turntrans61.71-179-149.6-110.2000116.9G1054 M1066 F1070 M1071 Q1072G1054-Y1068 PolarHBondContact O-N 3.48Å; M1066-Y1068 PolarHBondContact O-N 3.47Å; Y1068-F1070 PolarHBondContact O-N 2.88Å; Y1068-M1071 HydrophobicContact CD2-CB 3.89Å; Y1068-M1071 HydrophobicContact CD2-CG 4.22Å; Y1068-M1071 HydrophobicContact CE1-CB 4.41Å; Y1068-M1071 HydrophobicContact CE2-CB 3.76Å; Y1068-M1071 HydrophobicContact CE2-CG 4.15Å; Y1068-M1071 HydrophobicContact CG-CB 4.28Å; Y1068-M1071 PolarHBondContact O-N 3.46Å; Y1068-Q1072 HydrophobicContact CD1-CB 4.27Å; Y1068-Q1072 WeakPolarHBondContact O-CB 3.32Å; Y1068-Q1072 PolarHBondContact O-N 2.79Å
1069V86.9Confident81.8Confident13 Ų1368.5 Ų68.58%0.07934%0.344CS..Hα-helixtrans-60.1-47.5-176.7172.30000112.4W1006 M1066 Y1067 M1073W1006-V1069 HydrophobicContact CB-CG1 4.36Å; W1006-V1069 HydrophobicContact CB-CG2 4.32Å; M1066-V1069 PolarHBondContact O-N 3Å; Y1067-V1069 PolarHBondContact O-N 3.4Å; V1069-M1073 PolarHBondContact O-N 3.04Å; V1069-M1073 VanDerWaalsContact O-N 3.13Å
1070F88.3Confident82.1Confident5 Ų568.4 Ų68.42%0.02233%0.327CS..Hα-helixtrans-69.4-41.1-178.1-168.2-111.2000112T1010 V1047 L1051 Y1068 Q1072 M1073 L1074T1010-F1070 HydrophobicContact CG2-CD2 3.63Å; T1010-F1070 HydrophobicContact CG2-CE2 4.33Å; V1047-F1070 HydrophobicContact CG1-CE1 4.28Å; V1047-F1070 HydrophobicContact CG1-CZ 4.49Å; L1051-F1070 HydrophobicContact CD2-CD1 3.61Å; L1051-F1070 HydrophobicContact CD2-CE1 3.81Å; L1051-F1070 HydrophobicContact CG-CD1 3.9Å; L1051-F1070 HydrophobicContact CG-CE1 3.82Å; Y1068-F1070 PolarHBondContact O-N 2.88Å; F1070-Q1072 PolarHBondContact O-N 3.28Å; F1070-M1073 HydrophobicContact CD2-CE 3.69Å; F1070-M1073 HydrophobicContact CE2-CE 3.6Å; F1070-M1073 PolarHBondContact O-N 3.27Å; F1070-L1074 HydrophobicContact CD1-CD1 3.78Å; F1070-L1074 HydrophobicContact CD1-CG 4.32Å; F1070-L1074 HydrophobicContact CE1-CD1 3.41Å; F1070-L1074 VanDerWaalsContact CE1-CD1 3.41Å; F1070-L1074 HydrophobicContact CE1-CG 4.11Å; F1070-L1074 HydrophobicContact CZ-CD1 3.95Å; F1070-L1074 HydrophobicContact CZ-CD2 4.24Å; F1070-L1074 HydrophobicContact CZ-CG 4.29Å; F1070-L1074 WeakPolarHBondContact O-CG 3.43Å; F1070-L1074 PolarHBondContact O-N 3.4Å
1071M86.1Confident82.5Confident72 Ų7268.2 Ų68.236%0.35533%0.331SS..Hα-helixtrans-61.9-43.5176.6-71.1-66.5-174.500111.8L1051 Y1068 M1073 L1074 S1075L1051-M1071 HydrophobicContact CB-CE 4.12Å; L1051-M1071 HydrophobicContact CD2-CE 3.25Å; L1051-M1071 HydrophobicContact CD2-SD 3.46Å; L1051-M1071 WeakPolarHBondContact CD2-SD 3.46Å; L1051-M1071 HydrophobicContact CG-CE 4.22Å; Y1068-M1071 HydrophobicContact CD2-CB 3.89Å; Y1068-M1071 HydrophobicContact CD2-CG 4.22Å; Y1068-M1071 HydrophobicContact CE1-CB 4.41Å; Y1068-M1071 HydrophobicContact CE2-CB 3.76Å; Y1068-M1071 HydrophobicContact CE2-CG 4.15Å; Y1068-M1071 HydrophobicContact CG-CB 4.28Å; Y1068-M1071 PolarHBondContact O-N 3.46Å; M1071-M1073 VanDerWaalsContact C-N 3.34Å; M1071-M1073 PolarHBondContact O-N 2.96Å; M1071-L1074 PolarHBondContact O-N 3.37Å; M1071-S1075 WeakPolarHBondContact O-CB 3.31Å; M1071-S1075 PolarHBondContact O-N 3.41Å
1072Q82.5Confident82.9Confident40 Ų4066.3 Ų66.319%0.18732%0.322CS..Hα-helixtrans-64.1-39.4178.3-167.4-175.4-10.300111.9F1003 Y1068 F1070 S1075F1003-Q1072 HydrophobicContact CE1-CG 3.86Å; Y1068-Q1072 HydrophobicContact CD1-CB 4.27Å; Y1068-Q1072 WeakPolarHBondContact O-CB 3.32Å; Y1068-Q1072 PolarHBondContact O-N 2.79Å; F1070-Q1072 PolarHBondContact O-N 3.28Å; Q1072-S1075 PolarHBondContact O-N 3.21Å
1073M85.2Confident84Confident3 Ų359.5 Ų59.52%0.01529%0.285CS..Hα-helixtrans-63.4-47.8175.1-175.2-170.774.800111.7T1007 T1010 L1011 T1014 V1069 F1070 M1071 S1075 S1076 A1079T1007-M1073 HydrophobicContact CG2-CB 4.01Å; T1007-M1073 HydrophobicContact CG2-CG 4.37Å; T1010-M1073 HydrophobicContact CG2-CE 4.13Å; T1010-M1073 HydrophobicContact CG2-SD 3.98Å; L1011-M1073 VanDerWaalsContact CA-SD 3.56Å; L1011-M1073 HydrophobicContact CB-SD 3.93Å; L1011-M1073 HydrophobicContact CD1-SD 4.14Å; T1014-M1073 WeakPolarHBondContact OG1-CE 3.4Å; V1069-M1073 PolarHBondContact O-N 3.04Å; V1069-M1073 VanDerWaalsContact O-N 3.13Å; F1070-M1073 HydrophobicContact CD2-CE 3.69Å; F1070-M1073 HydrophobicContact CE2-CE 3.6Å; F1070-M1073 PolarHBondContact O-N 3.27Å; M1071-M1073 VanDerWaalsContact C-N 3.34Å; M1071-M1073 PolarHBondContact O-N 2.96Å; M1073-S1075 VanDerWaalsContact C-N 3.26Å; M1073-S1075 PolarHBondContact O-N 2.9Å; M1073-S1076 PolarHBondContact O-N 3.26Å; M1073-S1076 VanDerWaalsContact O-N 3.17Å; M1073-A1079 HydrophobicContact CG-CB 4.33Å; M1073-A1079 WeakPolarHBondContact O-CB 3.38Å
1074L84.1Confident85.2Confident41 Ų4156.5 Ų56.522%0.21528%0.28CS..Hα-helixtrans-68.5-23.6179.8-64-178.5000113.2L1051 F1070 M1071 S1076 W1080L1051-L1074 HydrophobicContact CD2-CD1 4.02Å; F1070-L1074 HydrophobicContact CD1-CD1 3.78Å; F1070-L1074 HydrophobicContact CD1-CG 4.32Å; F1070-L1074 HydrophobicContact CE1-CD1 3.41Å; F1070-L1074 VanDerWaalsContact CE1-CD1 3.41Å; F1070-L1074 HydrophobicContact CE1-CG 4.11Å; F1070-L1074 HydrophobicContact CZ-CD1 3.95Å; F1070-L1074 HydrophobicContact CZ-CD2 4.24Å; F1070-L1074 HydrophobicContact CZ-CG 4.29Å; F1070-L1074 WeakPolarHBondContact O-CG 3.43Å; F1070-L1074 PolarHBondContact O-N 3.4Å; M1071-L1074 PolarHBondContact O-N 3.37Å; L1074-S1076 PolarHBondContact O-N 3.5Å; L1074-W1080 HydrophobicContact CB-CZ2 4.27Å; L1074-W1080 HydrophobicContact CD2-CH2 3.9Å; L1074-W1080 HydrophobicContact CD2-CZ2 3.51Å; L1074-W1080 HydrophobicContact CG-CZ2 4.34Å; L1074-W1080 PolarHBondContact O-NE1 3.49Å
1075S83.6Confident86Confident97 Ų9758.4 Ų58.468%0.67829%0.292SS*.THydrogen-bonded Turntrans-73-10.5174.8-171.20000113.3M1071 Q1072 M1073M1071-S1075 WeakPolarHBondContact O-CB 3.31Å; M1071-S1075 PolarHBondContact O-N 3.41Å; Q1072-S1075 PolarHBondContact O-N 3.21Å; M1073-S1075 VanDerWaalsContact C-N 3.26Å; M1073-S1075 PolarHBondContact O-N 2.9Å
1076S80.6Confident86.6Confident4 Ų453.2 Ų53.23%0.02827%0.273CS..  trans-94.2118.1-179.9176.70000111.6F988 M1073 L1074 P1078 A1079F988-S1076 PolarHBondContact O-OG 2.94Å; M1073-S1076 PolarHBondContact O-N 3.26Å; M1073-S1076 VanDerWaalsContact O-N 3.17Å; L1074-S1076 PolarHBondContact O-N 3.5Å; S1076-P1078 WeakPolarHBondContact OG-CD 3.16Å; S1076-A1079 WeakPolarHBondContact O-CB 3.4Å; S1076-A1079 PolarHBondContact O-N 2.71Å
1077G81.2Confident87.2Confident36 Ų3653.5 Ų53.537%0.37128%0.275SS..Hα-helixtrans-58.1-46.4174.400000114.3A1079 W1080 L1081G1077-A1079 PolarHBondContact O-N 3.31Å; G1077-W1080 PolarHBondContact O-N 3.38Å; G1077-L1081 PolarHBondContact O-N 2.82Å
1078P82.1Confident87.5Confident41 Ų4151.5 Ų51.527%0.26628%0.275SS..Hα-helixtrans-57.4-31.7174.5-29.336.5000114.4F988 S1076 S1082F988-P1078 HydrophobicContact CD1-CB 4.09Å; F988-P1078 HydrophobicContact CE1-CB 3.57Å; F988-P1078 HydrophobicContact CE2-CB 4.01Å; F988-P1078 HydrophobicContact CZ-CB 3.46Å; F988-P1078 VanDerWaalsContact CZ-CB 3.46Å; S1076-P1078 WeakPolarHBondContact OG-CD 3.16Å; P1078-S1082 WeakPolarHBondContact O-CB 3.41Å; P1078-S1082 PolarHBondContact O-N 3.04Å; P1078-S1082 PolarHBondContact O-OG 2.91Å
1079A82.6Confident88Confident4 Ų448.2 Ų48.23%0.03327%0.268CS..Hα-helixtrans-64.5-43.5176.400000111.6F988 M1073 S1076 G1077 S1082 I1083F988-A1079 HydrophobicContact CE1-CB 4.18Å; M1073-A1079 HydrophobicContact CG-CB 4.33Å; M1073-A1079 WeakPolarHBondContact O-CB 3.38Å; S1076-A1079 WeakPolarHBondContact O-CB 3.4Å; S1076-A1079 PolarHBondContact O-N 2.71Å; G1077-A1079 PolarHBondContact O-N 3.31Å; A1079-S1082 PolarHBondContact O-N 3.15Å; A1079-I1083 VanDerWaalsContact O-CG1 3.26Å; A1079-I1083 WeakPolarHBondContact O-CG1 3.45Å; A1079-I1083 PolarHBondContact O-N 3.27Å
1080W87.3Confident88.4Confident126 Ų12647.6 Ų47.648%0.47726%0.264SS..Hα-helixtrans-62.5-46.5176.8-75.3101.7000113.3L1074 G1077 S1082 I1083 I1084L1074-W1080 HydrophobicContact CB-CZ2 4.27Å; L1074-W1080 HydrophobicContact CD2-CH2 3.9Å; L1074-W1080 HydrophobicContact CD2-CZ2 3.51Å; L1074-W1080 HydrophobicContact CG-CZ2 4.34Å; L1074-W1080 PolarHBondContact O-NE1 3.49Å; G1077-W1080 PolarHBondContact O-N 3.38Å; W1080-S1082 PolarHBondContact O-N 3.18Å; W1080-I1083 PolarHBondContact O-N 3.25Å; W1080-I1084 WeakPolarHBondContact O-CG1 3.49Å; W1080-I1084 PolarHBondContact O-N 2.7Å
1081L89.3Confident88.6Confident128 Ų12848.3 Ų48.367%0.6727%0.268SS*.Hα-helixtrans-59.3-40.2176.7-72.3174.1000111.2G1077 I1084 L1085G1077-L1081 PolarHBondContact O-N 2.82Å; L1081-I1084 PolarHBondContact O-N 3.4Å; L1081-L1085 VanDerWaalsContact O-CB 3.25Å; L1081-L1085 WeakPolarHBondContact O-CB 3.3Å; L1081-L1085 PolarHBondContact O-N 3.45Å
1082S87.2Confident89Confident12 Ų1249.2 Ų49.28%0.08427%0.274CS..Hα-helixtrans-68.7-41.5178.7-55.30000112.2L982 P1078 A1079 W1080 I1084 L1085 L1086L982-S1082 WeakPolarHBondContact CD1-OG 3.37Å; L982-S1082 WeakPolarHBondContact CD2-OG 3.43Å; P1078-S1082 WeakPolarHBondContact O-CB 3.41Å; P1078-S1082 PolarHBondContact O-N 3.04Å; P1078-S1082 PolarHBondContact O-OG 2.91Å; A1079-S1082 PolarHBondContact O-N 3.15Å; W1080-S1082 PolarHBondContact O-N 3.18Å; S1082-I1084 PolarHBondContact O-N 2.87Å; S1082-L1085 PolarHBondContact O-N 2.86Å; S1082-L1086 VanDerWaalsContact O-CB 3.32Å; S1082-L1086 WeakPolarHBondContact O-CB 3.36Å; S1082-L1086 WeakPolarHBondContact O-CG 3.21Å; S1082-L1086 PolarHBondContact O-N 3.3Å
1083I91.9Very high89.4Confident9 Ų949.6 Ų49.65%0.04628%0.28CS..Hα-helixtrans-57.9-50.1175-69.8162.5000110.1L1011 T1014 V1015 A1079 W1080 L1085 L1086 I1087L1011-I1083 HydrophobicContact CD1-CD1 3.92Å; L1011-I1083 HydrophobicContact CD1-CG1 3.59Å; T1014-I1083 HydrophobicContact CG2-CD1 4.01Å; T1014-I1083 HydrophobicContact CG2-CG1 4.5Å; T1014-I1083 HydrophobicContact CG2-CG2 4.48Å; V1015-I1083 HydrophobicContact CG2-CB 4.35Å; V1015-I1083 HydrophobicContact CG2-CG1 4.02Å; V1015-I1083 HydrophobicContact CG2-CG2 4.39Å; A1079-I1083 VanDerWaalsContact O-CG1 3.26Å; A1079-I1083 WeakPolarHBondContact O-CG1 3.45Å; A1079-I1083 PolarHBondContact O-N 3.27Å; W1080-I1083 PolarHBondContact O-N 3.25Å; I1083-L1085 PolarHBondContact O-N 3.02Å; I1083-L1086 PolarHBondContact O-N 3.11Å; I1083-I1087 HydrophobicContact CG2-CD1 3.65Å; I1083-I1087 WeakPolarHBondContact O-CB 3.47Å; I1083-I1087 WeakPolarHBondContact O-CD1 3.29Å; I1083-I1087 WeakPolarHBondContact O-CG1 3.5Å; I1083-I1087 PolarHBondContact O-N 3.47Å
1084I94.3Very high89.5Confident103 Ų10349.9 Ų49.953%0.52828%0.282SS..Hα-helixtrans-62.5-45-180-65.6168.3000111.1W1080 L1081 S1082 T1088W1080-I1084 WeakPolarHBondContact O-CG1 3.49Å; W1080-I1084 PolarHBondContact O-N 2.7Å; L1081-I1084 PolarHBondContact O-N 3.4Å; S1082-I1084 PolarHBondContact O-N 2.87Å; I1084-T1088 WeakPolarHBondContact O-CB 3.47Å; I1084-T1088 PolarHBondContact O-N 3.16Å; I1084-T1088 PolarHBondContact O-OG1 2.79Å
1085L94.1Very high89.8Confident109 Ų10950.7 Ų50.757%0.57129%0.288SS*.Hα-helixtrans-62.3-49.3179.6179.164.5000111.5L1081 S1082 I1083 I1087 T1088 V1089L1081-L1085 VanDerWaalsContact O-CB 3.25Å; L1081-L1085 WeakPolarHBondContact O-CB 3.3Å; L1081-L1085 PolarHBondContact O-N 3.45Å; S1082-L1085 PolarHBondContact O-N 2.86Å; I1083-L1085 PolarHBondContact O-N 3.02Å; L1085-I1087 PolarHBondContact O-N 3.36Å; L1085-T1088 PolarHBondContact O-N 3.46Å; L1085-V1089 HydrophobicContact CD1-CG2 4.1Å; L1085-V1089 HydrophobicContact CG-CG2 4.42Å; L1085-V1089 WeakPolarHBondContact O-CG2 3.34Å; L1085-V1089 PolarHBondContact O-N 3.43Å
1086L95.1Very high90.1Very high15 Ų1550.5 Ų50.58%0.07928%0.278CS..Hα-helixtrans-65.2-39.7-177.8-67.2175.9000111.8I974 V1015 S1082 I1083 T1088 S1090I974-L1086 HydrophobicContact CG2-CD2 4.02Å; V1015-L1086 HydrophobicContact CG1-CB 3.74Å; V1015-L1086 HydrophobicContact CG2-CB 4.3Å; V1015-L1086 HydrophobicContact CG2-CD1 4.13Å; S1082-L1086 VanDerWaalsContact O-CB 3.32Å; S1082-L1086 WeakPolarHBondContact O-CB 3.36Å; S1082-L1086 WeakPolarHBondContact O-CG 3.21Å; S1082-L1086 PolarHBondContact O-N 3.3Å; I1083-L1086 PolarHBondContact O-N 3.11Å; L1086-T1088 VanDerWaalsContact C-N 3.34Å; L1086-S1090 VanDerWaalsContact O-CB 3.32Å; L1086-S1090 WeakPolarHBondContact O-CB 3.29Å; L1086-S1090 PolarHBondContact O-N 3.2Å; L1086-S1090 PolarHBondContact O-OG 3.36Å
1087I95.8Very high90.5Very high18 Ų1854.3 Ų54.39%0.09230%0.295CS..Hα-helixtrans-59.6-47.5172.4-68.6164.1000110.2V1015 F1018 L1022 I1083 L1085 S1090 L1091V1015-I1087 HydrophobicContact CG1-CG1 4.31Å; F1018-I1087 HydrophobicContact CB-CD1 3.54Å; F1018-I1087 HydrophobicContact CB-CG1 4.19Å; F1018-I1087 HydrophobicContact CD1-CD1 4.36Å; F1018-I1087 HydrophobicContact CG-CD1 4.18Å; L1022-I1087 HydrophobicContact CD1-CG2 3.71Å; I1083-I1087 HydrophobicContact CG2-CD1 3.65Å; I1083-I1087 WeakPolarHBondContact O-CB 3.47Å; I1083-I1087 WeakPolarHBondContact O-CD1 3.29Å; I1083-I1087 WeakPolarHBondContact O-CG1 3.5Å; I1083-I1087 PolarHBondContact O-N 3.47Å; L1085-I1087 PolarHBondContact O-N 3.36Å; I1087-S1090 PolarHBondContact O-N 3.19Å; I1087-L1091 HydrophobicContact CG2-CD1 3.84Å; I1087-L1091 HydrophobicContact CG2-CG 4.47Å; I1087-L1091 WeakPolarHBondContact O-CG 3.38Å; I1087-L1091 PolarHBondContact O-N 3.32Å
1088T94.6Very high90.7Very high79 Ų7956 Ų5649%0.48529%0.292SS..Hα-helixtrans-62.8-47.1-177.6-55.30000111.5I1084 L1085 L1086 S1090 L1091 L1092I1084-T1088 WeakPolarHBondContact O-CB 3.47Å; I1084-T1088 PolarHBondContact O-N 3.16Å; I1084-T1088 PolarHBondContact O-OG1 2.79Å; L1085-T1088 PolarHBondContact O-N 3.46Å; L1086-T1088 VanDerWaalsContact C-N 3.34Å; T1088-S1090 VanDerWaalsContact C-N 3.32Å; T1088-S1090 PolarHBondContact O-N 2.99Å; T1088-L1091 PolarHBondContact O-N 3.34Å; T1088-L1092 VanDerWaalsContact O-CB 3.31Å; T1088-L1092 WeakPolarHBondContact O-CB 3.34Å; T1088-L1092 PolarHBondContact O-N 3.28Å
1089V95.2Very high91Very high57 Ų5758.7 Ų58.735%0.34531%0.307SS..Hα-helixtrans-64-37.5179.1172.30000111.6I974 L1085 P1093I974-V1089 HydrophobicContact CD1-CG1 4.27Å; I974-V1089 HydrophobicContact CG2-CG1 4.15Å; L1085-V1089 HydrophobicContact CD1-CG2 4.1Å; L1085-V1089 HydrophobicContact CG-CG2 4.42Å; L1085-V1089 WeakPolarHBondContact O-CG2 3.34Å; L1085-V1089 PolarHBondContact O-N 3.43Å; V1089-P1093 WeakPolarHBondContact O-CD 3.21Å
1090S94.7Very high91.3Very high1 Ų163.2 Ų63.21%0.00733%0.33CS..Hα-helixtrans-70-40.7179.6-53.60000112I974 F975 L1086 I1087 T1088 P1093I974-S1090 WeakPolarHBondContact CG2-OG 3.34Å; F975-S1090 VanDerWaalsContact CE1-OG 3.3Å; F975-S1090 WeakPolarHBondContact CE1-OG 3.42Å; L1086-S1090 VanDerWaalsContact O-CB 3.32Å; L1086-S1090 WeakPolarHBondContact O-CB 3.29Å; L1086-S1090 PolarHBondContact O-N 3.2Å; L1086-S1090 PolarHBondContact O-OG 3.36Å; I1087-S1090 PolarHBondContact O-N 3.19Å; T1088-S1090 VanDerWaalsContact C-N 3.32Å; T1088-S1090 PolarHBondContact O-N 2.99Å; S1090-P1093 WeakPolarHBondContact O-CD 3.46Å
1091L94.1Very high91.1Very high20 Ų2060 Ų6011%0.10533%0.326CS..Hα-helixtrans-80.2-20.8-179.1-63.5177.6000113.8T1019 L1022 K1023 L1026 I1087 T1088 D1094 V1095T1019-L1091 HydrophobicContact CG2-CD2 3.79Å; T1019-L1091 HydrophobicContact CG2-CG 4.15Å; L1022-L1091 HydrophobicContact CB-CD1 3.79Å; L1022-L1091 HydrophobicContact CD1-CD1 4.4Å; K1023-L1091 HydrophobicContact CB-CD2 3.94Å; K1023-L1091 HydrophobicContact CD-CD2 4.39Å; L1026-L1091 HydrophobicContact CD1-CB 4.21Å; L1026-L1091 HydrophobicContact CD1-CD1 4.12Å; L1026-L1091 HydrophobicContact CD1-CD2 4.13Å; L1026-L1091 HydrophobicContact CD1-CG 4.38Å; I1087-L1091 HydrophobicContact CG2-CD1 3.84Å; I1087-L1091 HydrophobicContact CG2-CG 4.47Å; I1087-L1091 WeakPolarHBondContact O-CG 3.38Å; I1087-L1091 PolarHBondContact O-N 3.32Å; T1088-L1091 PolarHBondContact O-N 3.34Å; L1091-D1094 PolarHBondContact O-N 3.46Å; L1091-V1095 WeakPolarHBondContact O-CG2 3.44Å; L1091-V1095 PolarHBondContact O-N 2.87Å; L1091-V1095 VanDerWaalsContact O-N 3.13Å
1092L93Very high90.7Very high90 Ų9060.5 Ų60.547%0.47132%0.319SS..Hα-helixtrans-56.6-45.9-174.1-177.568.3000114.1T1088 D1094 V1095 I1096T1088-L1092 VanDerWaalsContact O-CB 3.31Å; T1088-L1092 WeakPolarHBondContact O-CB 3.34Å; T1088-L1092 PolarHBondContact O-N 3.28Å; L1092-D1094 VanDerWaalsContact C-N 3.3Å; L1092-D1094 PolarHBondContact O-N 3.2Å; L1092-V1095 PolarHBondContact O-N 2.9Å; L1092-I1096 HydrophobicContact CD1-CD1 3.95Å; L1092-I1096 HydrophobicContact CD1-CG1 4.12Å; L1092-I1096 HydrophobicContact CD2-CD1 4.3Å; L1092-I1096 HydrophobicContact CG-CD1 3.73Å; L1092-I1096 HydrophobicContact CG-CG1 4.29Å; L1092-I1096 WeakPolarHBondContact O-CG1 3.32Å; L1092-I1096 PolarHBondContact O-N 3.07Å
1093P90.9Very high90.6Very high49 Ų4963.7 Ų63.732%0.31835%0.346SS..Hα-helixtrans-59.7-38.2179.2-24.535.2000113.3F970 V1089 S1090 K1097F970-P1093 HydrophobicContact CD1-CG 4.43Å; F970-P1093 HydrophobicContact CE1-CG 3.62Å; F970-P1093 HydrophobicContact CZ-CG 3.93Å; V1089-P1093 WeakPolarHBondContact O-CD 3.21Å; S1090-P1093 WeakPolarHBondContact O-CD 3.46Å; P1093-K1097 WeakPolarHBondContact O-CB 3.35Å; P1093-K1097 PolarHBondContact O-N 3.48Å
1094D87.7Confident90.2Very high8 Ų868.9 Ų68.94%0.04337%0.373CS..Hα-helixtrans-71.6-40.2179.9-162.355.7000111.2Y963 K1023 L1091 L1092 K1097 K1098Y963-D1094 PolarHBondContact OH-OD1 2.78Å; Y963-D1094 VanDerWaalsContact OH-OD1 3.11Å; K1023-D1094 WeakPolarHBondContact CD-OD2 3.39Å; K1023-D1094 VanDerWaalsContact CE-CG 3.49Å; K1023-D1094 WeakPolarHBondContact CE-OD2 3.39Å; K1023-D1094 IonicContact NZ-OD1 2.64Å; K1023-D1094 IonicContact NZ-OD2 3.62Å; K1023-D1094 PolarHBondContact NZ-OD2 3.39Å; L1091-D1094 PolarHBondContact O-N 3.46Å; L1092-D1094 VanDerWaalsContact C-N 3.3Å; L1092-D1094 PolarHBondContact O-N 3.2Å; D1094-K1097 PolarHBondContact O-N 3.23Å; D1094-K1098 WeakPolarHBondContact O-CB 3.21Å; D1094-K1098 WeakPolarHBondContact O-CG 3.49Å; D1094-K1098 PolarHBondContact O-N 3.39Å; D1094-K1098 IonicContact OD2-NZ 2.7Å
1095V90.7Very high89.4Confident58 Ų5868.4 Ų68.435%0.35238%0.378SS..Hα-helixtrans-61.2-48173.8174.90000110.8L1026 L1091 L1092 K1097 K1098 V1099L1026-V1095 HydrophobicContact CD1-CG2 3.96Å; L1026-V1095 HydrophobicContact CD2-CG2 4.46Å; L1091-V1095 WeakPolarHBondContact O-CG2 3.44Å; L1091-V1095 PolarHBondContact O-N 2.87Å; L1091-V1095 VanDerWaalsContact O-N 3.13Å; L1092-V1095 PolarHBondContact O-N 2.9Å; V1095-K1097 VanDerWaalsContact C-N 3.34Å; V1095-K1097 PolarHBondContact O-N 3.36Å; V1095-K1098 PolarHBondContact O-N 3.45Å; V1095-V1099 HydrophobicContact CG1-CG2 4.45Å; V1095-V1099 VanDerWaalsContact O-CG2 3.3Å; V1095-V1099 WeakPolarHBondContact O-CG2 3.47Å; V1095-V1099 PolarHBondContact O-N 3.01Å
1096I90.9Very high88.7Confident93 Ų9365 Ų6548%0.47736%0.362SS..Hα-helixtrans-59.9-46.8177.8-69.3171.6000110.3L1092 K1098 V1099 L1100L1092-I1096 HydrophobicContact CD1-CD1 3.95Å; L1092-I1096 HydrophobicContact CD1-CG1 4.12Å; L1092-I1096 HydrophobicContact CD2-CD1 4.3Å; L1092-I1096 HydrophobicContact CG-CD1 3.73Å; L1092-I1096 HydrophobicContact CG-CG1 4.29Å; L1092-I1096 WeakPolarHBondContact O-CG1 3.32Å; L1092-I1096 PolarHBondContact O-N 3.07Å; I1096-K1098 PolarHBondContact O-N 3.03Å; I1096-V1099 PolarHBondContact O-N 3.24Å; I1096-L1100 WeakPolarHBondContact O-CB 3.43Å; I1096-L1100 PolarHBondContact O-N 2.93Å
1097K88.2Confident87.9Confident85 Ų8567.4 Ų67.437%0.3738%0.378SS..Hα-helixtrans-58.2-49.8178.3-177.6-170.9174.8-171.50111.3Y963 P1093 D1094 V1095 V1099 L1100 C1101Y963-K1097 HydrophobicContact CE2-CD 3.81Å; Y963-K1097 WeakPolarHBondContact OH-CD 3.45Å; Y963-K1097 PolarHBondContact OH-NZ 3.24Å; P1093-K1097 WeakPolarHBondContact O-CB 3.35Å; P1093-K1097 PolarHBondContact O-N 3.48Å; D1094-K1097 PolarHBondContact O-N 3.23Å; V1095-K1097 VanDerWaalsContact C-N 3.34Å; V1095-K1097 PolarHBondContact O-N 3.36Å; K1097-V1099 PolarHBondContact O-N 2.8Å; K1097-L1100 PolarHBondContact O-N 3.19Å; K1097-C1101 VanDerWaalsContact O-CB 3.26Å; K1097-C1101 WeakPolarHBondContact O-CB 3.34Å; K1097-C1101 PolarHBondContact O-N 3.37Å; K1097-C1101 PolarHBondContact O-SG 2.84Å
1098K85.6Confident86.9Confident72 Ų7268.8 Ų68.831%0.31339%0.391SS..Hα-helixtrans-59.4-46179.8-77.9178.4175.1176.10112.1L1026 D1027 D1094 V1095 I1096 R1102L1026-K1098 PolarHBondContact O-NZ 3.42Å; D1027-K1098 WeakPolarHBondContact OD1-CE 3.38Å; D1027-K1098 IonicContact OD1-NZ 3.65Å; D1027-K1098 PolarHBondContact OD1-NZ 3.14Å; D1094-K1098 WeakPolarHBondContact O-CB 3.21Å; D1094-K1098 WeakPolarHBondContact O-CG 3.49Å; D1094-K1098 PolarHBondContact O-N 3.39Å; D1094-K1098 IonicContact OD2-NZ 2.7Å; V1095-K1098 PolarHBondContact O-N 3.45Å; I1096-K1098 PolarHBondContact O-N 3.03Å; K1098-R1102 WeakPolarHBondContact O-CB 3.34Å; K1098-R1102 PolarHBondContact O-N 3.46Å
1099V88.1Confident86Confident96 Ų9666.2 Ų66.258%0.58238%0.376SS*.Hα-helixtrans-64.1-45.3178.7173.70000110.9V1095 I1096 K1097 A1103V1095-V1099 HydrophobicContact CG1-CG2 4.45Å; V1095-V1099 VanDerWaalsContact O-CG2 3.3Å; V1095-V1099 WeakPolarHBondContact O-CG2 3.47Å; V1095-V1099 PolarHBondContact O-N 3.01Å; I1096-V1099 PolarHBondContact O-N 3.24Å; K1097-V1099 PolarHBondContact O-N 2.8Å; V1099-A1103 VanDerWaalsContact O-CB 3.31Å; V1099-A1103 WeakPolarHBondContact O-CB 3.49Å; V1099-A1103 PolarHBondContact O-N 2.94Å
1100L87.8Confident85.2Confident99 Ų9965.6 Ų65.652%0.51837%0.369SS..Hα-helixtrans-68.8-45.2-177.7-167.471.5000112.3I1096 K1097 A1103 I1104I1096-L1100 WeakPolarHBondContact O-CB 3.43Å; I1096-L1100 PolarHBondContact O-N 2.93Å; K1097-L1100 PolarHBondContact O-N 3.19Å; L1100-A1103 PolarHBondContact O-N 3.03Å; L1100-I1104 HydrophobicContact CD1-CD1 3.39Å; L1100-I1104 HydrophobicContact CD1-CG1 4.14Å; L1100-I1104 HydrophobicContact CG-CD1 3.77Å; L1100-I1104 HydrophobicContact CG-CG1 4.42Å; L1100-I1104 WeakPolarHBondContact O-CB 3.43Å; L1100-I1104 WeakPolarHBondContact O-CG1 3.19Å; L1100-I1104 PolarHBondContact O-N 2.98Å
1101C83.7Confident84.5Confident59 Ų5972.7 Ų72.740%0.39940%0.396SS..Hα-helixtrans-60.7-46.2177-74.50000110.9K1097 A1103 C1105K1097-C1101 VanDerWaalsContact O-CB 3.26Å; K1097-C1101 WeakPolarHBondContact O-CB 3.34Å; K1097-C1101 PolarHBondContact O-N 3.37Å; K1097-C1101 PolarHBondContact O-SG 2.84Å; C1101-A1103 VanDerWaalsContact C-N 3.3Å; C1101-A1103 PolarHBondContact O-N 3.21Å; C1101-C1105 CarbonylContact O-C 3.41Å; C1101-C1105 WeakPolarHBondContact O-CA 3.33Å; C1101-C1105 PolarHBondContact O-N 3.17Å
1102R82.1Confident83.5Confident139 Ų13972.2 Ų72.253%0.52539%0.394SS..Hα-helixtrans-65.4-32.8179.1-170.1172.3-179.61743.6113K1098K1098-R1102 WeakPolarHBondContact O-CB 3.34Å; K1098-R1102 PolarHBondContact O-N 3.46Å
1103A84Confident82.5Confident78 Ų7871 Ų7165%0.64539%0.386SS*.Hα-helixtrans-79.1-41.6179.200000113.3V1099 L1100 C1101V1099-A1103 VanDerWaalsContact O-CB 3.31Å; V1099-A1103 WeakPolarHBondContact O-CB 3.49Å; V1099-A1103 PolarHBondContact O-N 2.94Å; L1100-A1103 PolarHBondContact O-N 3.03Å; C1101-A1103 VanDerWaalsContact C-N 3.3Å; C1101-A1103 PolarHBondContact O-N 3.21Å
1104I84.3Confident81.4Confident118 Ų11872.7 Ų72.761%0.60540%0.399SS*.Hα-helixtrans-94.6-41.7-170.9-59.3-176.4000112.1L1100L1100-I1104 HydrophobicContact CD1-CD1 3.39Å; L1100-I1104 HydrophobicContact CD1-CG1 4.14Å; L1100-I1104 HydrophobicContact CG-CD1 3.77Å; L1100-I1104 HydrophobicContact CG-CG1 4.42Å; L1100-I1104 WeakPolarHBondContact O-CB 3.43Å; L1100-I1104 WeakPolarHBondContact O-CG1 3.19Å; L1100-I1104 PolarHBondContact O-N 2.98Å
1105C76.6Confident80Confident93 Ų9377 Ų7763%0.62843%0.426SS*.SBendtrans-137.166.3-174.6-73.30000111C1101 T1107C1101-C1105 CarbonylContact O-C 3.41Å; C1101-C1105 WeakPolarHBondContact O-CA 3.33Å; C1101-C1105 PolarHBondContact O-N 3.17Å; C1105-T1107 PolarHBondContact O-N 3.28Å
1106P79.6Confident77.7Confident39 Ų3984.3 Ų84.325%0.25345%0.447SS..  trans-63.4133.3-177.524.7-33000111E1110 R1111P1106-E1110 VanDerWaalsContact CA-OE2 3.23Å; P1106-E1110 WeakPolarHBondContact CA-OE2 3.48Å; P1106-E1110 HydrophobicContact CB-CB 4.27Å; P1106-R1111 HydrophobicContact CB-CG 4.16Å; P1106-R1111 HydrophobicContact CG-CG 4.25Å; P1106-R1111 PolarHBondContact O-NE 3.13Å; P1106-R1111 VanDerWaalsContact O-NE 3.07Å; P1106-R1111 PolarHBondContact O-NH2 2.81Å
1107T77.6Confident75.3Confident65 Ų6583.4 Ų83.440%0.39945%0.448SS..  trans-65.6161.9176.161.80000110.8C1105 T1109 E1110 R1111C1105-T1107 PolarHBondContact O-N 3.28Å; T1107-T1109 PolarHBondContact O-N 3.33Å; T1107-T1109 PolarHBondContact OG1-OG1 3.11Å; T1107-E1110 PolarHBondContact N-OE2 2.99Å; T1107-E1110 PolarHBondContact O-N 2.63Å; T1107-E1110 VanDerWaalsContact O-N 3.13Å; T1107-E1110 VanDerWaalsContact OG1-CG 3.24Å; T1107-E1110 WeakPolarHBondContact OG1-CG 3.4Å; T1107-E1110 PolarHBondContact OG1-N 3.28Å; T1107-R1111 WeakPolarHBondContact O-CG 3.5Å; T1107-R1111 PolarHBondContact O-N 3.29Å
1108A75.7Confident72.5Confident46 Ų4685.7 Ų85.738%0.3847%0.473SS..Hα-helixtrans-61.7-35177.900000111.5L946 D949 R1111 A1112L946-A1108 HydrophobicContact CD2-CB 4.05Å; D949-A1108 WeakPolarHBondContact OD2-CB 3.23Å; A1108-R1111 PolarHBondContact O-N 3.08Å; A1108-A1112 WeakPolarHBondContact O-CB 3.42Å; A1108-A1112 PolarHBondContact O-N 2.73Å
1109T75.6Confident70.1Confident26 Ų2688.8 Ų88.816%0.1649%0.492CS..Hα-helixtrans-59.7-45.5170.8500000113.2V935 L946 T1107 R1111 A1112 Q1113V935-T1109 HydrophobicContact CG2-CG2 4.46Å; L946-T1109 HydrophobicContact CD2-CG2 4.01Å; T1107-T1109 PolarHBondContact O-N 3.33Å; T1107-T1109 PolarHBondContact OG1-OG1 3.11Å; T1109-R1111 VanDerWaalsContact C-N 3.34Å; T1109-R1111 PolarHBondContact O-N 2.77Å; T1109-A1112 PolarHBondContact O-N 3.22Å; T1109-Q1113 WeakPolarHBondContact O-CG 3.44Å; T1109-Q1113 PolarHBondContact O-N 2.72Å
1110E78.8Confident67.4Low43 Ų4390.3 Ų90.320%0.20150%0.502CS..Hα-helixtrans-67.6-33.9178.2-73.5171.2164.300112.4P1106 T1107 S1114P1106-E1110 VanDerWaalsContact CA-OE2 3.23Å; P1106-E1110 WeakPolarHBondContact CA-OE2 3.48Å; P1106-E1110 HydrophobicContact CB-CB 4.27Å; T1107-E1110 PolarHBondContact N-OE2 2.99Å; T1107-E1110 PolarHBondContact O-N 2.63Å; T1107-E1110 VanDerWaalsContact O-N 3.13Å; T1107-E1110 VanDerWaalsContact OG1-CG 3.24Å; T1107-E1110 WeakPolarHBondContact OG1-CG 3.4Å; T1107-E1110 PolarHBondContact OG1-N 3.28Å; E1110-S1114 WeakPolarHBondContact O-CB 3.41Å; E1110-S1114 PolarHBondContact O-N 2.96Å; E1110-S1114 VanDerWaalsContact O-N 3.13Å; E1110-S1114 PolarHBondContact O-OG 2.72Å
1111R78.9Confident64.7Low151 Ų15191.8 Ų91.857%0.5752%0.515SS*.Hα-helixtrans-65.9-47.1172.1-66.7177.4-159.4-172.10.5110.8P1106 T1107 A1108 T1109 Q1113 S1114 T1115P1106-R1111 HydrophobicContact CB-CG 4.16Å; P1106-R1111 HydrophobicContact CG-CG 4.25Å; P1106-R1111 PolarHBondContact O-NE 3.13Å; P1106-R1111 VanDerWaalsContact O-NE 3.07Å; P1106-R1111 PolarHBondContact O-NH2 2.81Å; T1107-R1111 WeakPolarHBondContact O-CG 3.5Å; T1107-R1111 PolarHBondContact O-N 3.29Å; A1108-R1111 PolarHBondContact O-N 3.08Å; T1109-R1111 VanDerWaalsContact C-N 3.34Å; T1109-R1111 PolarHBondContact O-N 2.77Å; R1111-Q1113 VanDerWaalsContact C-N 3.29Å; R1111-Q1113 PolarHBondContact O-N 3.41Å; R1111-S1114 PolarHBondContact O-N 3.01Å; R1111-S1114 VanDerWaalsContact O-N 3.07Å; R1111-T1115 PolarHBondContact O-N 3.17Å; R1111-T1115 PolarHBondContact O-OG1 3.15Å
1112A73.6Confident62.3Low9 Ų997 Ų977%0.07453%0.533CS..Hα-helixtrans-58.6-40.9177.500000112T939 E943 L946 A1108 T1109 S1114 T1115T939-A1112 HydrophobicContact CG2-CB 4.01Å; E943-A1112 WeakPolarHBondContact OE2-CB 3.34Å; L946-A1112 HydrophobicContact CD1-CB 4.06Å; L946-A1112 HydrophobicContact CD2-CB 4.33Å; A1108-A1112 WeakPolarHBondContact O-CB 3.42Å; A1108-A1112 PolarHBondContact O-N 2.73Å; T1109-A1112 PolarHBondContact O-N 3.22Å; A1112-S1114 VanDerWaalsContact C-N 3.34Å; A1112-S1114 PolarHBondContact O-N 3.47Å; A1112-T1115 PolarHBondContact O-N 3.48Å
1113Q72.6Confident59.9Low65 Ų6596.2 Ų96.230%0.30455%0.546SS..Hα-helixtrans-63.3-36.7174.4-72.3170.5-5.600113.4H934 V935 T1109 R1111H934-Q1113 PolarHBondContact O-NE2 3.16Å; V935-Q1113 HydrophobicContact CG2-CG 4.21Å; T1109-Q1113 WeakPolarHBondContact O-CG 3.44Å; T1109-Q1113 PolarHBondContact O-N 2.72Å; R1111-Q1113 VanDerWaalsContact C-N 3.29Å; R1111-Q1113 PolarHBondContact O-N 3.41Å
1114S66.6Low57.4Low84 Ų8497 Ų9759%0.58755%0.547SS*.Hα-helixtrans-77.5-24.3-178.6-55.30000112.3E1110 R1111 A1112 R1116E1110-S1114 WeakPolarHBondContact O-CB 3.41Å; E1110-S1114 PolarHBondContact O-N 2.96Å; E1110-S1114 VanDerWaalsContact O-N 3.13Å; E1110-S1114 PolarHBondContact O-OG 2.72Å; R1111-S1114 PolarHBondContact O-N 3.01Å; R1111-S1114 VanDerWaalsContact O-N 3.07Å; A1112-S1114 VanDerWaalsContact C-N 3.34Å; A1112-S1114 PolarHBondContact O-N 3.47Å; S1114-R1116 PolarHBondContact O-N 3.26Å; S1114-R1116 VanDerWaalsContact O-N 3.1Å
1115T58.3Low55.1Low98 Ų9897.2 Ų97.260%0.60155%0.553SS**  trans-86.440.5-177.2-37.90000112R1111 A1112 P1117R1111-T1115 PolarHBondContact O-N 3.17Å; R1111-T1115 PolarHBondContact O-OG1 3.15Å; A1112-T1115 PolarHBondContact O-N 3.48Å; T1115-P1117 WeakPolarHBondContact O-CD 3.42Å
1116R42.9Very low53.1Low212 Ų212100.3 Ų100.380%0.856%0.562SS**  trans-57.5126.3173-88.7-172.4176.2-173.5-1.1108.9S1114 C1118S1114-R1116 PolarHBondContact O-N 3.26Å; S1114-R1116 VanDerWaalsContact O-N 3.1Å; R1116-C1118 PolarHBondContact O-N 3.08Å
1117P40.1Very low50.8Low75 Ų75108.1 Ų108.149%0.48759%0.593SS.*  trans-61133.7164.426-29.1000107.1T1115 L1119T1115-P1117 WeakPolarHBondContact O-CD 3.42Å; P1117-L1119 PolarHBondContact O-N 3.25Å
1118C29.8Very low48.5Very low133 Ų133113.4 Ų113.490%0.89962%0.615SS**  trans-62.681.8167.6-165.30000107.5R1116 T1120R1116-C1118 PolarHBondContact O-N 3.08Å; C1118-T1120 PolarHBondContact O-N 3.39Å; C1118-T1120 VanDerWaalsContact O-N 3.12Å
1119L36.1Very low46.3Very low137 Ų137120 Ų12072%0.71764%0.643SS**  trans-66.2109.2168.6-86.1157.1000105.8P1117 V1121P1117-L1119 PolarHBondContact O-N 3.25Å; L1119-V1121 PolarHBondContact O-N 3.03Å
1120T30.4Very low44.3Very low128 Ų128123.7 Ų123.779%0.78567%0.669SS**  trans-42.8110.2157.837.60000108C1118 E1122C1118-T1120 PolarHBondContact O-N 3.39Å; C1118-T1120 VanDerWaalsContact O-N 3.12Å; T1120-E1122 PolarHBondContact O-N 2.88Å
1121V32.1Very low42.1Very low130 Ų130130.6 Ų130.679%0.78870%0.702SS**  trans-63.3101.7174.3176.30000107.1L1119L1119-V1121 PolarHBondContact O-N 3.03Å
1122E31.9Very low39.6Very low169 Ų169129.4 Ų129.479%0.7972%0.717SS**  trans-67.9122.3150.4-82.5-172157.600106.9T1120 S1124T1120-E1122 PolarHBondContact O-N 2.88Å; E1122-S1124 PolarHBondContact O-N 3.14Å
1123P33.1Very low37.5Very low121 Ų121133.9 Ų133.979%0.78675%0.747SS**  trans-75.393.7-177.730.4-31.2000108.9
1124S31.8Very low35.7Very low95 Ų95135.6 Ų135.666%0.66477%0.766SS**  trans-87.1108.1168.634.10000110.8E1122 I1126E1122-S1124 PolarHBondContact O-N 3.14Å; S1124-I1126 PolarHBondContact O-N 3.35Å
1125T36.2Very low33.8Very low122 Ų122143.1 Ų143.175%0.74878%0.782SS**  57.760.7127.5-20.70000117.3
1126I34.1Very low32.4Very low159 Ų159147.1 Ų147.182%0.81580%0.796SS**  trans-117.575.4155-58.4176.3000107.2S1124S1124-I1126 PolarHBondContact O-N 3.35Å
1127F31.4Very low31.7Very low203 Ų203141.9 Ų141.989%0.8979%0.792SS**  trans-175.566.9159.4-116.8-77.7000110.8
1128M29.1Very low31.3Very low176 Ų176151.7 Ų151.787%0.86783%0.828SS**  trans-15069.7159.1-92.7-153.5-8400110.6
1129L29.8Very low31.4Very low184 Ų184152.7 Ų152.796%0.96382%0.824SS**  trans-134.871.1156.8-88.5171.2000108
1130S32.2Very low31.2Very low103 Ų103153.5 Ų153.572%0.7283%0.83SS**SBendtrans-169.1116.6166152.40000107.4
1131Q33.7Very low31.2Very low188 Ų188154.9 Ų154.988%0.87983%0.832SS**  trans93.186.5178.2-56.4-176.7-400116.4
1132S26.9Very low31.2Very low127 Ų127156.4 Ų156.489%0.88884%0.835SS**  trans-144.971.2140.9630000109.4
1133S29.6Very low31.1Very low102 Ų102155.6 Ų155.671%0.71384%0.837SS**  trans-86.5127.5154.7600000108.5
1134S32.9Very low31Very low101 Ų101157.9 Ų157.971%0.70684%0.841SS**  trans54.5108.8151.963.70000118.4
1135R27.2Very low30.9Very low242 Ų242162.4 Ų162.491%0.91385%0.853SS**  -178.8126111.1-98.8170.1-177.3-170.90.5111.5
1136M29.5Very low30.5Very low183 Ų183165.5 Ų165.590%0.90186%0.862SS**  trans-55.5145.6154.7-63.7167.796.600110.1
1137S28.1Very low30.2Very low101 Ų101166 Ų16671%0.70687%0.865SS**  169130.8115.964.20000112.4
1138F32.4Very low30.1Very low282 Ų282162.6 Ų162.6100%1.23786%0.863SS**  trans75.40166.7-71-77.4000119.1

Retrieved 1,138 of 1,138 residues in 508.1 ms (Link to these results)

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