A0A087YGB4_POEFO Loading...

Renin receptor

Multifunctional protein which functions as a renin, prorenin cellular receptor and is involved in the assembly of the lysosomal proton-transporting V-type ATPase (V-ATPase) and the acidification of the endo-lysosomal system. May mediate renin-dependent cellular responses by activating ERK1 and ERK2. By increasing the catalytic efficiency of renin in AGT/angiotensinogen conversion to angiotensin I, may also play a role in the renin-angiotensin system (RAS). Through its function in V-type ATPase (v-ATPase) assembly and acidification of the lysosome it regulates protein degradation and may control different signaling pathways important for proper brain development, synapse morphology and synaptic transmission.

AlphaFold DB , UniProt , Accession A0A087YGB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 381 aa.

Structure Viewer
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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
1M31.1Very low28.4Very low244 Ų244145.5 Ų145.5100%1.20285%0.85SS**  0109.60-77.2171.516100106.9
2L33.5Very low28.3Very low164 Ų164144.7 Ų144.786%0.85985%0.849SS**  cis-127.2128.51.1-89.578.4000105.4
3C23.4Very low28.5Very low130 Ų130144.3 Ų144.388%0.87885%0.849SS**  41.8109.286.6-88.40000118.5
4S26.7Very low28.5Very low121 Ų121140.6 Ų140.685%0.84684%0.842SS**  154.9105.4126.2-162.90000109.5
5A29.5Very low28.7Very low86 Ų86140.1 Ų140.171%0.71184%0.84SS**  91.7121.562.800000115.6
6K27.6Very low28.7Very low197 Ų197145.7 Ų145.786%0.85784%0.842SS**  trans72.2142.2145.9-110.4176.9177174.80117.8
7T28.2Very low28.8Very low123 Ų123151.2 Ų151.276%0.75585%0.846SS**  cis-167.1156.424-27.50000112.2
8S27.7Very low29.1Very low114 Ų114155.3 Ų155.380%0.79785%0.846SS**  trans-35.9152.2160.7179.40000118.1
9G27.6Very low29.5Very low69 Ų69158.5 Ų158.571%0.71185%0.851SS**  trans-176.386.2159.100000114
10Q28.8Very low29.8Very low191 Ų191159.7 Ų159.789%0.89385%0.853SS**  trans-61.6137.1160.8-78.6-178.2-23.500109.8
11L28Very low30.2Very low161 Ų161155.9 Ų155.984%0.84384%0.839SS**  trans-139109.1163.2-123.5126.4000111.7
12T27.8Very low30.9Very low136 Ų136150.7 Ų150.783%0.83482%0.821SS**  trans-46.9126.1163.918.10000112.4
13V30.5Very low31.4Very low140 Ų140148.3 Ų148.385%0.84881%0.813SS**  trans-101.9113.7169.1178.90000109.5
14A28.6Very low32.3Very low92 Ų92146.3 Ų146.376%0.7680%0.797SS**  trans-67.5128.1178.700000112R16A14-R16 PolarHBondContact O-N 2.95Å; A14-R16 VanDerWaalsContact O-N 3.17Å
15V31.2Very low32.8Very low134 Ų134144.2 Ų144.281%0.81278%0.782SS**  trans-74.9100.1171.31760000109.3R17V15-R17 PolarHBondContact O-N 3.43Å
16R28.6Very low33.4Very low229 Ų229150.7 Ų150.786%0.86479%0.788SS**  trans-86.494.6172.1-159.3174.2-169.3-179.93.8109.3A14 R18A14-R16 PolarHBondContact O-N 2.95Å; A14-R16 VanDerWaalsContact O-N 3.17Å; R16-R18 PolarHBondContact O-N 3.19Å; R16-R18 VanDerWaalsContact O-N 3.08Å
17R31.5Very low34.2Very low240 Ų240146 Ų14691%0.90678%0.776SS**  trans-60.7106.1170.8-83.8-176.7175.8-178.3-0.9110.2V15V15-R17 PolarHBondContact O-N 3.43Å
18R33.2Very low34.8Very low225 Ų225147 Ų14785%0.84977%0.774SS**  trans-87.9116.5157.4-87.6-175.9179.2178.30.5108.2R16 M20R16-R18 PolarHBondContact O-N 3.19Å; R16-R18 VanDerWaalsContact O-N 3.08Å; R18-M20 PolarHBondContact O-N 3.01Å
19K36.6Very low35.5Very low215 Ų215148.8 Ų148.894%0.93577%0.767SS**  trans-65.6112.2167.8-81.9179.3173.1179.40108.3
20M35.1Very low36.4Very low182 Ų182148.2 Ų148.290%0.89776%0.756SS**  trans-84.2132.2164-92.7-167.7-99.900109.5R18R18-M20 PolarHBondContact O-N 3.01Å
21S39.1Very low37.2Very low81 Ų81141.3 Ų141.357%0.56674%0.735SS**  trans-66.6137.9178.7-178.90000111.5T23S21-T23 PolarHBondContact O-N 3.05Å; S21-T23 VanDerWaalsContact O-N 3.13Å; S21-T23 PolarHBondContact OG-OG1 3.07Å
22V46.4Very low38.2Very low134 Ų134141.2 Ų141.281%0.81273%0.729SS**THydrogen-bonded Turntrans-65.5-13.5-173.8173.10000113.2
23T43.1Very low39.4Very low114 Ų114139.3 Ų139.370%0.69972%0.717SS**THydrogen-bonded Turntrans-78.4-24.4-176.2-230000113.7S21S21-T23 PolarHBondContact O-N 3.05Å; S21-T23 VanDerWaalsContact O-N 3.13Å; S21-T23 PolarHBondContact OG-OG1 3.07Å
24T41.7Very low40.4Very low89 Ų89140 Ų14055%0.54671%0.709SS.*THydrogen-bonded Turntrans-84.8-14.7-176.4-43.10000113.4T27T24-T27 PolarHBondContact O-OG1 3.13Å
25C39Very low41.6Very low77 Ų77138.5 Ų138.552%0.5270%0.696SS.*Hα-helixtrans-78.5-20.1-179.1-165.80000113
26R41.5Very low42.6Very low221 Ų221138.9 Ų138.983%0.83469%0.687SS**Hα-helixtrans-80.4-31.9-177.9-138.7175.8-174.6177.10.7112.7
27T44.3Very low43.8Very low100 Ų100130.3 Ų130.361%0.61367%0.666SS**Hα-helixtrans-78.3-33.5177.335.40000113.3T24 G31T24-T27 PolarHBondContact O-OG1 3.13Å; T27-G31 PolarHBondContact O-N 3.26Å
28M41.6Very low44.5Very low144 Ų144124.5 Ų124.571%0.70965%0.652SS**Hα-helixtrans-70.4-33.1175.5-78.5-177.378.300113.3F32M28-F32 WeakPolarHBondContact O-CB 3.45Å; M28-F32 PolarHBondContact O-N 3.48Å
29K42.3Very low45Very low150 Ų150118 Ų11865%0.65264%0.64SS**Hα-helixtrans-69.1-36.3175.6-79.5-178.6175.6-178.50112.7T33K29-T33 PolarHBondContact O-N 2.96Å; K29-T33 VanDerWaalsContact O-N 3.16Å; K29-T33 PolarHBondContact O-OG1 2.89Å
30A45.6Very low45.4Very low58 Ų58111.3 Ų111.348%0.47962%0.619SS.*Hα-helixtrans-69.5-41177.900000112T33 F34A30-T33 PolarHBondContact O-OG1 3.16Å; A30-F34 WeakPolarHBondContact O-CB 3.27Å; A30-F34 PolarHBondContact O-N 3.36Å
31G45.8Very low45.7Very low45 Ų45109.7 Ų109.746%0.46461%0.614SS.*Hα-helixtrans-65.7-38.1176.100000113.4T27 A35T27-G31 PolarHBondContact O-N 3.26Å; G31-A35 WeakPolarHBondContact O-CB 2.89Å; G31-A35 PolarHBondContact O-N 3.01Å
32F49.3Very low45.6Very low160 Ų160109.2 Ų109.270%0.70261%0.614SS**Hα-helixtrans-73.2-35.6-179.5-152.9-93.9000112.8M28 F36M28-F32 WeakPolarHBondContact O-CB 3.45Å; M28-F32 PolarHBondContact O-N 3.48Å; F32-F36 WeakPolarHBondContact O-CB 3.48Å; F32-F36 PolarHBondContact O-N 3.32Å; F32-F36 VanDerWaalsContact O-N 3.08Å
33T52.9Low45.4Very low96 Ų96109.8 Ų109.859%0.58961%0.612SS**Hα-helixtrans-72.3-35.9174.434.60000112.2K29 A30 F36 A37K29-T33 PolarHBondContact O-N 2.96Å; K29-T33 VanDerWaalsContact O-N 3.16Å; K29-T33 PolarHBondContact O-OG1 2.89Å; A30-T33 PolarHBondContact O-OG1 3.16Å; T33-F36 PolarHBondContact O-N 3.05Å; T33-A37 WeakPolarHBondContact O-CB 3.42Å; T33-A37 PolarHBondContact O-N 3.48Å
34F51.3Low45.2Very low155 Ų155108 Ų10868%0.6861%0.609SS**Hα-helixtrans-69.7-38.9175.4-144-92.5000112A30 A37 L38A30-F34 WeakPolarHBondContact O-CB 3.27Å; A30-F34 PolarHBondContact O-N 3.36Å; F34-A37 PolarHBondContact O-N 3.22Å; F34-L38 VanDerWaalsContact O-CB 3.3Å; F34-L38 WeakPolarHBondContact O-CB 3.41Å; F34-L38 PolarHBondContact O-N 3.36Å
35A53.7Low45Very low60 Ų60106.6 Ų106.650%0.49661%0.612SS.*Hα-helixtrans-66.1-38174.500000112.5G31 C39G31-A35 WeakPolarHBondContact O-CB 2.89Å; G31-A35 PolarHBondContact O-N 3.01Å; A35-C39 VanDerWaalsContact O-CB 3.27Å; A35-C39 WeakPolarHBondContact O-CB 3.27Å; A35-C39 PolarHBondContact O-N 2.78Å
36F52.8Low45.1Very low141 Ų141109.3 Ų109.362%0.61863%0.626SS**Hα-helixtrans-70-39.7176.1-152-92.6000111.8F32 T33 C39 C40F32-F36 WeakPolarHBondContact O-CB 3.48Å; F32-F36 PolarHBondContact O-N 3.32Å; F32-F36 VanDerWaalsContact O-N 3.08Å; T33-F36 PolarHBondContact O-N 3.05Å; F36-C39 PolarHBondContact O-N 3.47Å; F36-C40 PolarHBondContact O-N 3.38Å; F36-C40 PolarHBondContact O-SG 3.13Å
37A52.4Low45.4Very low50 Ų50107.2 Ų107.241%0.41363%0.625SS.*Hα-helixtrans-66.9-38.7174.900000112.6T33 F34 C39 C40 L41T33-A37 WeakPolarHBondContact O-CB 3.42Å; T33-A37 PolarHBondContact O-N 3.48Å; F34-A37 PolarHBondContact O-N 3.22Å; A37-C39 VanDerWaalsContact C-N 3.34Å; A37-C40 PolarHBondContact O-N 3.13Å; A37-L41 PolarHBondContact O-N 3.32Å
38L47.1Very low46.6Very low117 Ų117103.7 Ų103.761%0.61361%0.609SS**Hα-helixtrans-68.2-33.9174.4-156.685.5000111.7F34 L41 A42F34-L38 VanDerWaalsContact O-CB 3.3Å; F34-L38 WeakPolarHBondContact O-CB 3.41Å; F34-L38 PolarHBondContact O-N 3.36Å; L38-L41 PolarHBondContact O-N 3.42Å; L38-A42 WeakPolarHBondContact O-CB 3.26Å; L38-A42 PolarHBondContact O-N 3.13Å; L38-A42 VanDerWaalsContact O-N 3.09Å
39C44.5Very low48.9Very low88 Ų8897.6 Ų97.660%0.59558%0.579SS**Hα-helixtrans-72.4-33174.5-158.20000112.3A35 F36 A37 A42A35-C39 VanDerWaalsContact O-CB 3.27Å; A35-C39 WeakPolarHBondContact O-CB 3.27Å; A35-C39 PolarHBondContact O-N 2.78Å; F36-C39 PolarHBondContact O-N 3.47Å; A37-C39 VanDerWaalsContact C-N 3.34Å; C39-A42 PolarHBondContact O-N 2.87Å
40C44.3Very low51.2Low75 Ų7590.9 Ų90.951%0.50755%0.551SS.*Hα-helixtrans-72.2-30.1172.7-71.10000112.9F36 A37 A42F36-C40 PolarHBondContact O-N 3.38Å; F36-C40 PolarHBondContact O-SG 3.13Å; A37-C40 PolarHBondContact O-N 3.13Å; C40-A42 VanDerWaalsContact C-N 3.3Å
41L41Very low53.5Low149 Ų14988.1 Ų88.178%0.7853%0.529SS*.Hα-helixtrans-78.9-13.4171.6-85.9151.1000113.3A37 L38 L43A37-L41 PolarHBondContact O-N 3.32Å; L38-L41 PolarHBondContact O-N 3.42Å; L41-L43 VanDerWaalsContact C-N 3.34Å
42A36.5Very low55.8Low70 Ų7086.1 Ų86.158%0.57951%0.507SS*.THydrogen-bonded Turntrans-92.813.3172.700000113.3L38 C39 C40 A44L38-A42 WeakPolarHBondContact O-CB 3.26Å; L38-A42 PolarHBondContact O-N 3.13Å; L38-A42 VanDerWaalsContact O-N 3.09Å; C39-A42 PolarHBondContact O-N 2.87Å; C40-A42 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 3.38Å
43L42.8Very low58Low146 Ų14678.5 Ų78.576%0.76447%0.474SS*.  trans-7561.2150.3-67.5170.5000107.6L41 G45L41-L43 VanDerWaalsContact C-N 3.34Å; L43-G45 PolarHBondContact O-N 2.93Å
44A39Very low60Low78 Ų7874.1 Ų74.165%0.64545%0.447SS*.  trans-53.1127.9160.400000106A42 V46A42-A44 PolarHBondContact O-N 3.38Å; A44-V46 PolarHBondContact O-N 3.38Å
45G37.2Very low62Low59 Ų5968.1 Ų68.161%0.60842%0.421SS*.  trans-42.1117-179.400000109.2L43 H47L43-G45 PolarHBondContact O-N 2.93Å; G45-H47 VanDerWaalsContact C-N 3.33Å; G45-H47 PolarHBondContact O-N 3.29Å; G45-H47 PolarHBondContact O-ND1 3.44Å; G45-H47 VanDerWaalsContact O-ND1 3.14Å
46V41Very low64Low133 Ų13366 Ų6681%0.80640%0.403SS*.  trans-54.5109.1170.9175.50000103.9A44 G48A44-V46 PolarHBondContact O-N 3.38Å; V46-G48 PolarHBondContact O-N 3.05Å
47H47.5Very low65.9Low177 Ų17759.3 Ų59.382%0.81937%0.374SS*.  trans-67.781.1167.1-78.934.5000105.1G45G45-H47 VanDerWaalsContact C-N 3.33Å; G45-H47 PolarHBondContact O-N 3.29Å; G45-H47 PolarHBondContact O-ND1 3.44Å; G45-H47 VanDerWaalsContact O-ND1 3.14Å
48G70.1Confident67.6Low27 Ų2766.3 Ų66.328%0.27840%0.398SS..  trans-94.1-174176.700000110.4V46V46-G48 PolarHBondContact O-N 3.05Å
49D89.1Confident69.7Low15 Ų1562.4 Ų62.48%0.0838%0.376CS..  trans-31.7144.8172.2-60-10.9000113.3D116 L129 P132 T296 K298D49-D116 WeakPolarHBondContact CA-O 3.33Å; D49-L129 HydrophobicContact CB-CB 3.91Å; D49-L129 HydrophobicContact CB-CD2 4.13Å; D49-L129 WeakPolarHBondContact O-CB 3.31Å; D49-L129 PolarHBondContact O-N 2.92Å; D49-P132 VanDerWaalsContact OD2-CB 3.26Å; D49-P132 WeakPolarHBondContact OD2-CB 3.45Å; D49-P132 VanDerWaalsContact OD2-CG 3.23Å; D49-P132 WeakPolarHBondContact OD2-CG 3.41Å; D49-T296 CarbonylContact C-O 3.46Å; D49-T296 VanDerWaalsContact CA-O 3.23Å; D49-T296 WeakPolarHBondContact CA-O 3.31Å; D49-T296 WeakPolarHBondContact CB-O 3.44Å; D49-K298 WeakPolarHBondContact OD1-CB 3.21Å; D49-K298 PolarHBondContact OD1-N 2.9Å
50S92.3Very high71.9Confident9 Ų959 Ų596%0.06335%0.353CS..EExtended strand (participates in β ladder)trans-135.5144.9-171.878.10000112.7Y127 V295 T296S50-Y127 CarbonylContact C-O 3.6Å; S50-Y127 WeakPolarHBondContact CA-O 3.47Å; S50-V295 CarbonylContact O-C 3.57Å; S50-V295 WeakPolarHBondContact O-CA 3.28Å; S50-T296 PolarHBondContact N-O 3.42Å; S50-T296 PolarHBondContact N-OG1 2.86Å; S50-T296 PolarHBondContact O-N 3.26Å; S50-T296 PolarHBondContact O-OG1 3.25Å; S50-T296 PolarHBondContact OG-OG1 2.88Å
51F93.7Very high74.1Confident0 Ų057.1 Ų57.10%034%0.341CS..EExtended strand (participates in β ladder)trans-106.1113.5167.1175-105.3000108.5V53 V74 V77 W92 L109 S126 Y127 L129 E293 V295F51-V53 HydrophobicContact CE1-CG2 3.89Å; F51-V53 HydrophobicContact CZ-CG2 4.28Å; F51-V74 HydrophobicContact CE2-CG1 4.32Å; F51-V77 HydrophobicContact CE1-CG1 4.39Å; F51-V77 HydrophobicContact CZ-CG1 4.18Å; F51-W92 HydrophobicContact CE1-CH2 4.49Å; F51-L109 HydrophobicContact CE2-CD1 4.24Å; F51-S126 WeakPolarHBondContact O-CA 3.48Å; F51-Y127 AromaticContact CD1-CD2 3.83Å; F51-Y127 HydrophobicContact CD1-CD2 3.83Å; F51-Y127 HydrophobicContact CD1-CE2 4.48Å; F51-Y127 HydrophobicContact CE1-CD2 4.41Å; F51-Y127 PolarHBondContact N-O 2.91Å; F51-Y127 PolarHBondContact O-N 3.31Å; F51-L129 HydrophobicContact CB-CD1 4.35Å; F51-E293 HydrophobicContact CE2-CB 3.92Å; F51-E293 HydrophobicContact CE2-CG 4.13Å; F51-E293 HydrophobicContact CZ-CB 4.14Å; F51-E293 HydrophobicContact CZ-CG 3.83Å; F51-V295 HydrophobicContact CD2-CG2 3.73Å; F51-V295 HydrophobicContact CE2-CG2 4.27Å
52T94.3Very high76.5Confident3 Ų350.9 Ų50.92%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-120.4128.8-174.3-610000111.1L54 F120 T123 S126 E293 V294T52-L54 HydrophobicContact CG2-CD2 4.28Å; T52-F120 HydrophobicContact CG2-CD2 3.98Å; T52-F120 HydrophobicContact CG2-CE2 4.26Å; T52-T123 HydrophobicContact CG2-CG2 3.67Å; T52-S126 PolarHBondContact OG1-OG 3.37Å; T52-E293 CarbonylContact O-C 3.59Å; T52-E293 WeakPolarHBondContact O-CA 3.41Å; T52-V294 PolarHBondContact N-O 3.24Å; T52-V294 PolarHBondContact O-N 3.08Å
53V95.1Very high79.1Confident0 Ų051.4 Ų51.40%030%0.298CS..EExtended strand (participates in β ladder)trans-94.5114.5174.1-173.60000108.5F51 A56 F62 V124 A125 E293F51-V53 HydrophobicContact CE1-CG2 3.89Å; F51-V53 HydrophobicContact CZ-CG2 4.28Å; V53-A56 HydrophobicContact CG1-CB 4.15Å; V53-F62 HydrophobicContact CB-CD2 4.44Å; V53-F62 HydrophobicContact CG1-CD2 3.88Å; V53-F62 HydrophobicContact CG1-CE2 3.74Å; V53-F62 HydrophobicContact CG1-CZ 4.3Å; V53-F62 HydrophobicContact CG2-CD1 3.98Å; V53-F62 HydrophobicContact CG2-CD2 4.18Å; V53-F62 HydrophobicContact CG2-CE1 3.91Å; V53-F62 HydrophobicContact CG2-CE2 4.13Å; V53-F62 HydrophobicContact CG2-CG 4.09Å; V53-F62 HydrophobicContact CG2-CZ 3.97Å; V53-V124 HydrophobicContact CB-CB 4.25Å; V53-V124 HydrophobicContact CG1-CB 4.1Å; V53-V124 HydrophobicContact CG1-CG1 4.49Å; V53-V124 WeakPolarHBondContact O-CB 3.33Å; V53-V124 PolarHBondContact O-N 3.34Å; V53-A125 PolarHBondContact N-O 3.02Å; V53-E293 HydrophobicContact CG2-CG 4.39Å
54L94Very high81.2Confident4 Ų452.3 Ų52.32%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-82.4-46.3-180-66.4-175.6000112T52 F120 T123 V292 V294T52-L54 HydrophobicContact CG2-CD2 4.28Å; L54-F120 HydrophobicContact CD1-CE1 4.42Å; L54-F120 HydrophobicContact CD2-CB 3.99Å; L54-F120 HydrophobicContact CD2-CD1 3.73Å; L54-F120 HydrophobicContact CD2-CD2 3.75Å; L54-F120 HydrophobicContact CD2-CE1 4.11Å; L54-F120 HydrophobicContact CD2-CE2 4.11Å; L54-F120 HydrophobicContact CD2-CG 3.53Å; L54-F120 HydrophobicContact CD2-CZ 4.28Å; L54-T123 HydrophobicContact CD2-CG2 4.3Å; L54-V292 HydrophobicContact CB-CB 4.44Å; L54-V292 HydrophobicContact CB-CG1 4.35Å; L54-V292 HydrophobicContact CD1-CG1 4.3Å; L54-V292 PolarHBondContact N-O 3.5Å; L54-V294 HydrophobicContact CD1-CG2 3.48Å; L54-V294 VanDerWaalsContact CD1-CG2 3.48Å; L54-V294 HydrophobicContact CG-CG2 3.84Å
55Q94.6Very high83.3Confident29 Ų2949.6 Ų49.614%0.13628%0.275CS..EExtended strand (participates in β ladder)trans-139.2137.7-177.1-61.9-64.8-18.800109.5Y283 V291 V292Q55-Y283 HydrophobicContact CB-CD2 3.9Å; Q55-Y283 HydrophobicContact CB-CG 4.03Å; Q55-Y283 HydrophobicContact CG-CG 4.32Å; Q55-V291 WeakPolarHBondContact O-CA 3.39Å; Q55-V292 HydrophobicContact CB-CB 4.15Å; Q55-V292 HydrophobicContact CB-CG2 4.16Å; Q55-V292 PolarHBondContact N-O 3.17Å; Q55-V292 PolarHBondContact O-N 3.36Å
56A94.1Very high85.7Confident15 Ų1553.8 Ų53.812%0.12428%0.283CS..  trans-146.5143.417500000110.1V53 F62 V124 Y283V53-A56 HydrophobicContact CG1-CB 4.15Å; A56-F62 HydrophobicContact CB-CD2 3.98Å; A56-F62 HydrophobicContact CB-CE2 3.94Å; A56-V124 HydrophobicContact CB-CG1 4.38Å; A56-V124 HydrophobicContact CB-CG2 4.37Å; A56-Y283 PolarHBondContact O-OH 3.45Å
57P92.9Very high88Confident1 Ų152.3 Ų52.31%0.00626%0.263CS..  trans-65.6155.3173.1-18.533.1000111.6F59 V60 Y283 N288 A290 V291P57-F59 HydrophobicContact CB-CD1 3.84Å; P57-F59 HydrophobicContact CB-CD2 4.32Å; P57-F59 HydrophobicContact CB-CE1 3.43Å; P57-F59 VanDerWaalsContact CB-CE1 3.43Å; P57-F59 HydrophobicContact CB-CE2 3.93Å; P57-F59 HydrophobicContact CB-CG 4.27Å; P57-F59 HydrophobicContact CB-CZ 3.47Å; P57-F59 VanDerWaalsContact CB-CZ 3.47Å; P57-F59 HydrophobicContact CG-CE1 4.21Å; P57-F59 HydrophobicContact CG-CE2 4.16Å; P57-F59 HydrophobicContact CG-CZ 3.77Å; P57-F59 PolarHBondContact O-N 3.37Å; P57-V60 HydrophobicContact CG-CG2 4.49Å; P57-V60 PolarHBondContact O-N 2.99Å; P57-V60 VanDerWaalsContact O-O 3.1Å; P57-Y283 HydrophobicContact CG-CE2 4.44Å; P57-N288 WeakPolarHBondContact CB-O 3.43Å; P57-A290 WeakPolarHBondContact CD-O 3.26Å; P57-V291 HydrophobicContact CG-CG2 4.32Å
58E89.5Confident90Very high198 Ų19846.4 Ų46.493%0.92524%0.241SC*.THydrogen-bonded Turntrans-58-26.5-179.6-63.6-177.5172.900114.2V60E58-V60 VanDerWaalsContact C-N 3.35Å
59F90.1Very high91Very high34 Ų3445.2 Ų45.215%0.14923%0.228CC..THydrogen-bonded Turntrans-85.4-3.717959.2-102000113.9P57 P99 Q102 P104 R289P57-F59 HydrophobicContact CB-CD1 3.84Å; P57-F59 HydrophobicContact CB-CD2 4.32Å; P57-F59 HydrophobicContact CB-CE1 3.43Å; P57-F59 VanDerWaalsContact CB-CE1 3.43Å; P57-F59 HydrophobicContact CB-CE2 3.93Å; P57-F59 HydrophobicContact CB-CG 4.27Å; P57-F59 HydrophobicContact CB-CZ 3.47Å; P57-F59 VanDerWaalsContact CB-CZ 3.47Å; P57-F59 HydrophobicContact CG-CE1 4.21Å; P57-F59 HydrophobicContact CG-CE2 4.16Å; P57-F59 HydrophobicContact CG-CZ 3.77Å; P57-F59 PolarHBondContact O-N 3.37Å; F59-P99 HydrophobicContact CB-CG 3.99Å; F59-P99 VanDerWaalsContact O-CD 3.26Å; F59-P99 WeakPolarHBondContact O-CD 3.07Å; F59-Q102 HydrophobicContact CB-CB 4.33Å; F59-Q102 HydrophobicContact CD1-CB 4.24Å; F59-Q102 HydrophobicContact CD2-CB 4.05Å; F59-Q102 WeakPolarHBondContact CD2-O 3.4Å; F59-Q102 HydrophobicContact CE2-CB 4.45Å; F59-Q102 HydrophobicContact CG-CB 3.94Å; F59-P104 HydrophobicContact CE2-CG 4.14Å; F59-R289 HydrophobicContact CE1-CG 4.28Å; F59-R289 HydrophobicContact CZ-CG 4.43Å
60V91Very high91Very high16 Ų1646 Ų4610%0.09724%0.235CC..SBendtrans-111.1109.5170.9-176.90000108.1P57 E58 F62 L95 P104 V291P57-V60 HydrophobicContact CG-CG2 4.49Å; P57-V60 PolarHBondContact O-N 2.99Å; P57-V60 VanDerWaalsContact O-O 3.1Å; E58-V60 VanDerWaalsContact C-N 3.35Å; V60-F62 HydrophobicContact CG1-CD2 4.13Å; V60-F62 HydrophobicContact CG1-CE2 3.56Å; V60-F62 HydrophobicContact CG1-CZ 4.1Å; V60-L95 HydrophobicContact CG1-CD1 4.18Å; V60-P104 HydrophobicContact CG2-CG 3.79Å; V60-V291 HydrophobicContact CG1-CG2 4.49Å; V60-V291 HydrophobicContact CG2-CG2 4.32Å
61S90.1Very high90.8Very high36 Ų3645.6 Ų45.625%0.25223%0.232SC..PPolyproline II helixtrans-102.4120.1-176.6160000110.8Q96S61-Q96 WeakPolarHBondContact O-CB 3.4Å; S61-Q96 PolarHBondContact O-N 3.25Å; S61-Q96 WeakPolarHBondContact OG-CB 3.49Å; S61-Q96 PolarHBondContact OG-OE1 3.31Å
62F91.9Very high90.6Very high18 Ų1850.9 Ų50.98%0.07926%0.257CS..BIsolated β-bridgetrans-102.1120.3169.7-71.5-81.3000109.1V53 A56 V60 T81 W92 G94 L95 V124 A125 Y127 V291V53-F62 HydrophobicContact CB-CD2 4.44Å; V53-F62 HydrophobicContact CG1-CD2 3.88Å; V53-F62 HydrophobicContact CG1-CE2 3.74Å; V53-F62 HydrophobicContact CG1-CZ 4.3Å; V53-F62 HydrophobicContact CG2-CD1 3.98Å; V53-F62 HydrophobicContact CG2-CD2 4.18Å; V53-F62 HydrophobicContact CG2-CE1 3.91Å; V53-F62 HydrophobicContact CG2-CE2 4.13Å; V53-F62 HydrophobicContact CG2-CG 4.09Å; V53-F62 HydrophobicContact CG2-CZ 3.97Å; A56-F62 HydrophobicContact CB-CD2 3.98Å; A56-F62 HydrophobicContact CB-CE2 3.94Å; V60-F62 HydrophobicContact CG1-CD2 4.13Å; V60-F62 HydrophobicContact CG1-CE2 3.56Å; V60-F62 HydrophobicContact CG1-CZ 4.1Å; F62-T81 HydrophobicContact CE1-CG2 4.38Å; F62-T81 HydrophobicContact CZ-CG2 3.82Å; F62-W92 HydrophobicContact CD1-CH2 4.47Å; F62-G94 CarbonylContact C-O 3.59Å; F62-G94 VanDerWaalsContact CA-O 3.28Å; F62-G94 WeakPolarHBondContact CA-O 3.27Å; F62-L95 HydrophobicContact CD1-CD1 4.13Å; F62-L95 HydrophobicContact CE1-CD1 3.73Å; F62-L95 HydrophobicContact CZ-CD1 4.05Å; F62-V124 HydrophobicContact CB-CG1 4.36Å; F62-A125 HydrophobicContact CB-CB 3.92Å; F62-Y127 WeakPolarHBondContact CB-OH 3.31Å; F62-Y127 HydrophobicContact CD1-CE2 4.43Å; F62-V291 HydrophobicContact CE2-CG1 4.29Å; F62-V291 HydrophobicContact CZ-CG1 4.37Å
63H90.2Very high90.5Very high82 Ų8253 Ų5338%0.3827%0.265SS..PPolyproline II helixtrans-75.9127.1178.9-74.9-59.5000110.3G65 W67 P93 G94 Q96 Y127H63-G65 PolarHBondContact O-N 2.99Å; H63-W67 HydrophobicContact CB-CH2 4.18Å; H63-W67 HydrophobicContact CB-CZ3 3.89Å; H63-W67 WeakPolarHBondContact O-CZ3 3.21Å; H63-P93 PolarHBondContact CD2-O 3.43Å; H63-G94 PolarHBondContact N-O 3Å; H63-Q96 PolarHBondContact CE1-OE1 3.36Å; H63-Q96 PolarHBondContact NE2-OE1 2.93Å; H63-Y127 PolarHBondContact N-OH 3.47Å; H63-Y127 WeakPolarHBondContact O-CE1 3.38Å; H63-Y127 PolarHBondContact O-OH 3.28Å
64K87.5Confident90.4Very high165 Ų16553 Ų5372%0.71727%0.265SS*.PPolyproline II helixtrans-70.6120.5173.7-66.1-176.7175.1-175.30110V124K64-V124 WeakPolarHBondContact CE-O 3.5Å
65G84.1Confident90.3Very high20 Ų2053.4 Ų53.421%0.20627%0.268CS..SBendtrans178.4164.3169.900000111.9H63 W67 Y127H63-G65 PolarHBondContact O-N 2.99Å; G65-W67 VanDerWaalsContact N-CZ3 3.33Å; G65-W67 PolarHBondContact O-N 3.32Å; G65-W67 VanDerWaalsContact O-N 3.07Å; G65-Y127 WeakPolarHBondContact O-CD1 3.46Å; G65-Y127 WeakPolarHBondContact O-CE1 2.98Å
66D85.8Confident90.3Very high148 Ų14853.4 Ų53.479%0.79127%0.269SS*.  trans-88.845.1-171.1-56.7-40.6000111.9
67W89.3Confident90.3Very high102 Ų10252.7 Ų52.739%0.38626%0.263SS..  trans-87120.5178.6-53.8-76.6000110.5H63 G65 W92 P93 Y127H63-W67 HydrophobicContact CB-CH2 4.18Å; H63-W67 HydrophobicContact CB-CZ3 3.89Å; H63-W67 WeakPolarHBondContact O-CZ3 3.21Å; G65-W67 VanDerWaalsContact N-CZ3 3.33Å; G65-W67 PolarHBondContact O-N 3.32Å; G65-W67 VanDerWaalsContact O-N 3.07Å; W67-W92 PolarHBondContact O-NE1 2.97Å; W67-P93 HydrophobicContact CB-CG 4.15Å; W67-P93 HydrophobicContact CD2-CG 3.68Å; W67-P93 HydrophobicContact CE3-CG 4.27Å; W67-P93 HydrophobicContact CG-CG 3.57Å; W67-Y127 HydrophobicContact CE3-CE1 4.1Å; W67-Y127 HydrophobicContact CZ3-CE1 4.47Å
68P90.1Very high90.3Very high53 Ų5352.7 Ų52.734%0.34426%0.263SS..  trans-65.4139.3-18025.3-32.3000112P128 E130P68-P128 CarbonylContact C-O 3.48Å; P68-P128 VanDerWaalsContact CA-O 3.26Å; P68-P128 WeakPolarHBondContact CA-O 3.43Å; P68-P128 HydrophobicContact CB-CG 4.29Å; P68-E130 HydrophobicContact CB-CB 4.35Å; P68-E130 HydrophobicContact CB-CG 3.51Å; P68-E130 VanDerWaalsContact CB-OE1 3.23Å; P68-E130 WeakPolarHBondContact CB-OE1 2.96Å; P68-E130 HydrophobicContact CG-CG 4.38Å; P68-E130 WeakPolarHBondContact CG-OE1 3.47Å
69V90.9Very high90.5Very high2 Ų243.6 Ų43.61%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-104.5131.1171.7179.60000108.3V74 V77 W92 P128 L129 E130V69-V74 HydrophobicContact CG1-CG2 4.32Å; V69-V77 HydrophobicContact CG1-CG2 4.49Å; V69-W92 HydrophobicContact CG2-CD2 3.8Å; V69-W92 HydrophobicContact CG2-CE3 4.45Å; V69-W92 HydrophobicContact CG2-CG 4.19Å; V69-W92 HydrophobicContact CG2-CH2 4.02Å; V69-W92 HydrophobicContact CG2-CZ2 3.3Å; V69-W92 VanDerWaalsContact CG2-NE1 3.26Å; V69-P128 PolarHBondContact N-O 3.31Å; V69-L129 HydrophobicContact CB-CD1 4.41Å; V69-L129 CarbonylContact O-C 3.55Å; V69-L129 WeakPolarHBondContact O-CA 3.28Å; V69-L129 WeakPolarHBondContact O-CD1 3.37Å; V69-E130 PolarHBondContact O-N 2.98Å
70S90.2Very high90.6Very high32 Ų3244.9 Ų44.922%0.22423%0.23CC..EExtended strand (participates in β ladder)trans-71.6134.8171.8-1770000110.3E72 K73 V74 E130S70-E72 PolarHBondContact O-N 2.9Å; S70-K73 WeakPolarHBondContact O-CA 3.41Å; S70-K73 WeakPolarHBondContact O-CB 3.5Å; S70-K73 PolarHBondContact O-N 3.01Å; S70-V74 PolarHBondContact O-N 3.37Å; S70-E130 CarbonylContact C-O 3.54Å; S70-E130 WeakPolarHBondContact CA-O 3.09Å
71G88.1Confident90.6Very high0 Ų044.4 Ų44.40%023%0.228CC..G310 helixtrans-53.1-37.9175.100000113.3K73 V74 E130 F135G71-K73 PolarHBondContact O-N 2.99Å; G71-V74 PolarHBondContact O-N 3.06Å; G71-E130 PolarHBondContact N-O 3.2Å; G71-F135 WeakPolarHBondContact O-CD1 3.25Å
72E88.6Confident90.6Very high111 Ų11143.1 Ų43.152%0.51922%0.217SC..G310 helixtrans-61.5-24.3175.4-69.9-179.3177.300113.6S70 V133S70-E72 PolarHBondContact O-N 2.9Å; E72-V133 HydrophobicContact CB-CG2 4.32Å; E72-V133 HydrophobicContact CG-CG2 3.31Å
73K91.4Very high90.5Very high46 Ų4643.8 Ų43.820%0.223%0.23CC..G310 helixtrans-98.3-1.3-174.8-63-59.5-175.3-175.30113.3S70 G71 D76 V77 E88 L90S70-K73 WeakPolarHBondContact O-CA 3.41Å; S70-K73 WeakPolarHBondContact O-CB 3.5Å; S70-K73 PolarHBondContact O-N 3.01Å; G71-K73 PolarHBondContact O-N 2.99Å; K73-D76 WeakPolarHBondContact CD-OD2 3.36Å; K73-D76 IonicContact NZ-OD2 2.72Å; K73-D76 PolarHBondContact NZ-OD2 3.21Å; K73-D76 WeakPolarHBondContact O-CB 3.33Å; K73-D76 PolarHBondContact O-N 3.07Å; K73-D76 VanDerWaalsContact O-N 3.16Å; K73-V77 WeakPolarHBondContact O-CG2 3.3Å; K73-V77 PolarHBondContact O-N 3.27Å; K73-E88 IonicContact NZ-OE2 2.72Å; K73-E88 PolarHBondContact NZ-OE2 2.98Å; K73-L90 HydrophobicContact CB-CD1 3.83Å; K73-L90 HydrophobicContact CD-CD1 4.39Å; K73-L90 HydrophobicContact CG-CD1 4.17Å
74V93.2Very high90.5Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-59.1-44.7174.81770000112F51 V69 S70 G71 D76 V77 V78 L109 L129 F135 V295F51-V74 HydrophobicContact CE2-CG1 4.32Å; V69-V74 HydrophobicContact CG1-CG2 4.32Å; S70-V74 PolarHBondContact O-N 3.37Å; G71-V74 PolarHBondContact O-N 3.06Å; V74-D76 VanDerWaalsContact C-N 3.27Å; V74-D76 PolarHBondContact O-N 3.2Å; V74-V77 WeakPolarHBondContact O-CB 3.34Å; V74-V77 PolarHBondContact O-N 3.21Å; V74-V78 WeakPolarHBondContact O-CG2 3.28Å; V74-V78 PolarHBondContact O-N 2.67Å; V74-L109 HydrophobicContact CG1-CD1 4.35Å; V74-L109 HydrophobicContact CG1-CD2 4Å; V74-L129 HydrophobicContact CG2-CD1 3.93Å; V74-F135 HydrophobicContact CB-CD1 4.43Å; V74-F135 HydrophobicContact CB-CE1 4.1Å; V74-F135 HydrophobicContact CB-CE2 4.24Å; V74-F135 HydrophobicContact CB-CZ 4.01Å; V74-F135 HydrophobicContact CG1-CE1 4.34Å; V74-F135 HydrophobicContact CG1-CE2 3.88Å; V74-F135 HydrophobicContact CG1-CZ 3.75Å; V74-F135 HydrophobicContact CG2-CE1 4.19Å; V74-F135 HydrophobicContact CG2-CZ 4.38Å; V74-V295 HydrophobicContact CG1-CG2 4.15Å
75P93.5Very high90.6Very high13 Ų1338.8 Ų38.88%0.08422%0.222CC..Hα-helixtrans-60.1-36.1174.3-24.335.4000113.5V78 A79 F135 L137P75-V78 PolarHBondContact O-N 3.45Å; P75-A79 WeakPolarHBondContact O-CB 3.03Å; P75-A79 PolarHBondContact O-N 3.48Å; P75-F135 HydrophobicContact CG-CB 3.9Å; P75-F135 HydrophobicContact CG-CD2 3.98Å; P75-F135 HydrophobicContact CG-CG 4.16Å; P75-L137 HydrophobicContact CB-CD2 3.78Å; P75-L137 HydrophobicContact CG-CD2 4.08Å
76D93.5Very high90.8Very high30 Ų3039.5 Ų39.516%0.1622%0.221CC..Hα-helixtrans-67-39.8177.4-69-21.6000111.1K73 V74 A79 L80 I86K73-D76 WeakPolarHBondContact CD-OD2 3.36Å; K73-D76 IonicContact NZ-OD2 2.72Å; K73-D76 PolarHBondContact NZ-OD2 3.21Å; K73-D76 WeakPolarHBondContact O-CB 3.33Å; K73-D76 PolarHBondContact O-N 3.07Å; K73-D76 VanDerWaalsContact O-N 3.16Å; V74-D76 VanDerWaalsContact C-N 3.27Å; V74-D76 PolarHBondContact O-N 3.2Å; D76-A79 PolarHBondContact O-N 2.97Å; D76-L80 WeakPolarHBondContact O-CB 3.43Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.13Å; D76-L80 PolarHBondContact O-N 3.16Å; D76-I86 HydrophobicContact CB-CB 4.46Å; D76-I86 HydrophobicContact CB-CD1 4.09Å; D76-I86 HydrophobicContact CB-CG2 3.97Å
77V93.6Very high90.7Very high0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-59.2-49.9172.6174.80000110F51 V69 K73 V74 A79 L80 T81 L90 W92F51-V77 HydrophobicContact CE1-CG1 4.39Å; F51-V77 HydrophobicContact CZ-CG1 4.18Å; V69-V77 HydrophobicContact CG1-CG2 4.49Å; K73-V77 WeakPolarHBondContact O-CG2 3.3Å; K73-V77 PolarHBondContact O-N 3.27Å; V74-V77 WeakPolarHBondContact O-CB 3.34Å; V74-V77 PolarHBondContact O-N 3.21Å; V77-A79 VanDerWaalsContact C-N 3.35Å; V77-A79 PolarHBondContact O-N 3.1Å; V77-L80 PolarHBondContact O-N 3.42Å; V77-T81 HydrophobicContact CG1-CG2 4.32Å; V77-T81 VanDerWaalsContact O-CG2 3.25Å; V77-T81 WeakPolarHBondContact O-CG2 3.37Å; V77-T81 PolarHBondContact O-N 3.07Å; V77-L90 HydrophobicContact CG2-CD2 3.57Å; V77-W92 HydrophobicContact CG1-CZ3 4.23Å; V77-W92 HydrophobicContact CG2-CE3 4.16Å; V77-W92 HydrophobicContact CG2-CZ3 4.11Å
78V94.3Very high90.5Very high0 Ų043 Ų430%024%0.236CC..Hα-helixtrans-58.7-46.1178.4170.70000111V74 P75 L80 T81 M82 N107 L109 L137 V140 L242 E293V74-V78 WeakPolarHBondContact O-CG2 3.28Å; V74-V78 PolarHBondContact O-N 2.67Å; P75-V78 PolarHBondContact O-N 3.45Å; V78-L80 PolarHBondContact O-N 2.88Å; V78-T81 PolarHBondContact O-N 3.39Å; V78-T81 PolarHBondContact O-OG1 3.47Å; V78-M82 HydrophobicContact CG1-CE 3.55Å; V78-M82 PolarHBondContact O-N 3.02Å; V78-N107 HydrophobicContact CG1-CB 4.4Å; V78-L109 HydrophobicContact CG2-CD2 4.25Å; V78-L137 HydrophobicContact CB-CD2 4.25Å; V78-L137 HydrophobicContact CG1-CD1 4.21Å; V78-L137 HydrophobicContact CG1-CD2 4.31Å; V78-L137 HydrophobicContact CG2-CD2 4.3Å; V78-V140 HydrophobicContact CG1-CG1 4.34Å; V78-L242 HydrophobicContact CG1-CD1 4.2Å; V78-E293 WeakPolarHBondContact CG2-OE2 3Å
79A93.6Very high90.1Very high8 Ų847.4 Ų47.47%0.06626%0.257CS..Hα-helixtrans-58.9-47176.900000112.1P75 D76 V77 M82 G83 F84 I86 V140P75-A79 WeakPolarHBondContact O-CB 3.03Å; P75-A79 PolarHBondContact O-N 3.48Å; D76-A79 PolarHBondContact O-N 2.97Å; V77-A79 VanDerWaalsContact C-N 3.35Å; V77-A79 PolarHBondContact O-N 3.1Å; A79-M82 PolarHBondContact O-N 2.96Å; A79-G83 PolarHBondContact O-N 2.8Å; A79-G83 VanDerWaalsContact O-N 3.14Å; A79-F84 HydrophobicContact CB-CB 4.26Å; A79-F84 WeakPolarHBondContact O-CB 3.39Å; A79-F84 PolarHBondContact O-N 3.13Å; A79-I86 HydrophobicContact CB-CG2 3.73Å; A79-V140 HydrophobicContact CB-CG2 4.11Å
80L91.9Very high89.9Confident60 Ų6049 Ų4931%0.31427%0.266SS..Hα-helixtrans-64.8-39178.9-74.1177000112.7D76 V77 V78 M82 G83 I86 L90 L95D76-L80 WeakPolarHBondContact O-CB 3.43Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.13Å; D76-L80 PolarHBondContact O-N 3.16Å; V77-L80 PolarHBondContact O-N 3.42Å; V78-L80 PolarHBondContact O-N 2.88Å; L80-M82 VanDerWaalsContact C-N 3.26Å; L80-M82 PolarHBondContact O-N 2.87Å; L80-G83 WeakPolarHBondContact O-CA 3.11Å; L80-G83 PolarHBondContact O-N 3.29Å; L80-I86 HydrophobicContact CD1-CD1 3.64Å; L80-I86 HydrophobicContact CD2-CD1 4.05Å; L80-I86 HydrophobicContact CD2-CG1 4.09Å; L80-I86 HydrophobicContact CD2-CG2 4.25Å; L80-I86 HydrophobicContact CG-CD1 3.87Å; L80-I86 HydrophobicContact CG-CG1 4.33Å; L80-I86 HydrophobicContact CG-CG2 4Å; L80-L90 HydrophobicContact CD1-CB 3.77Å; L80-L90 HydrophobicContact CD1-CD2 3.73Å; L80-L90 HydrophobicContact CD1-CG 4.39Å; L80-L95 HydrophobicContact CB-CD2 3.67Å; L80-L95 HydrophobicContact CD1-CD2 4.33Å
81T91.4Very high89.7Confident7 Ų755.3 Ų55.34%0.04330%0.296CS..Hα-helixtrans-61.7-36.3177.664.40000111.8F62 V77 V78 G83 L95 P104 N107F62-T81 HydrophobicContact CE1-CG2 4.38Å; F62-T81 HydrophobicContact CZ-CG2 3.82Å; V77-T81 HydrophobicContact CG1-CG2 4.32Å; V77-T81 VanDerWaalsContact O-CG2 3.25Å; V77-T81 WeakPolarHBondContact O-CG2 3.37Å; V77-T81 PolarHBondContact O-N 3.07Å; V78-T81 PolarHBondContact O-N 3.39Å; V78-T81 PolarHBondContact O-OG1 3.47Å; T81-G83 VanDerWaalsContact C-N 3.26Å; T81-G83 PolarHBondContact O-N 3.26Å; T81-L95 HydrophobicContact CG2-CD1 3.92Å; T81-L95 HydrophobicContact CG2-CD2 4.03Å; T81-P104 WeakPolarHBondContact O-CD 3.2Å; T81-P104 WeakPolarHBondContact O-CG 3.23Å; T81-N107 PolarHBondContact OG1-ND2 3.35Å; T81-N107 VanDerWaalsContact OG1-ND2 3.08Å
82M90.3Very high89.8Confident8 Ų856.5 Ų56.54%0.03930%0.3CS..Hα-helixtrans-79.1-9.3174.4-70.8-172.5-72.300113.5V78 A79 L80 F84 N107 V140 L242V78-M82 HydrophobicContact CG1-CE 3.55Å; V78-M82 PolarHBondContact O-N 3.02Å; A79-M82 PolarHBondContact O-N 2.96Å; L80-M82 VanDerWaalsContact C-N 3.26Å; L80-M82 PolarHBondContact O-N 2.87Å; M82-F84 HydrophobicContact CB-CD2 3.87Å; M82-F84 HydrophobicContact CB-CE2 3.72Å; M82-F84 HydrophobicContact CB-CZ 4.33Å; M82-F84 HydrophobicContact CE-CD2 4.16Å; M82-F84 HydrophobicContact CE-CE2 3.88Å; M82-F84 HydrophobicContact SD-CE2 4.06Å; M82-N107 HydrophobicContact CE-CB 4.21Å; M82-N107 HydrophobicContact CG-CB 4Å; M82-N107 HydrophobicContact SD-CB 3.72Å; M82-V140 HydrophobicContact CE-CG1 3.15Å; M82-L242 HydrophobicContact CE-CD1 4Å; M82-L242 HydrophobicContact SD-CD1 4.48Å
83G89.3Confident89.7Confident33 Ų3354.3 Ų54.334%0.3430%0.296SS..THydrogen-bonded Turntrans87.218.5178.300000114.5A79 L80 T81A79-G83 PolarHBondContact O-N 2.8Å; A79-G83 VanDerWaalsContact O-N 3.14Å; L80-G83 WeakPolarHBondContact O-CA 3.11Å; L80-G83 PolarHBondContact O-N 3.29Å; T81-G83 VanDerWaalsContact C-N 3.26Å; T81-G83 PolarHBondContact O-N 3.26Å
84F90.1Very high89.5Confident23 Ų2352.1 Ų52.110%0.10129%0.287CS..PPolyproline II helixtrans-82.1154.1172.4-56.8-44.9000111.4A79 M82 V140 T143 V144 L147 F148 P240A79-F84 HydrophobicContact CB-CB 4.26Å; A79-F84 WeakPolarHBondContact O-CB 3.39Å; A79-F84 PolarHBondContact O-N 3.13Å; M82-F84 HydrophobicContact CB-CD2 3.87Å; M82-F84 HydrophobicContact CB-CE2 3.72Å; M82-F84 HydrophobicContact CB-CZ 4.33Å; M82-F84 HydrophobicContact CE-CD2 4.16Å; M82-F84 HydrophobicContact CE-CE2 3.88Å; M82-F84 HydrophobicContact SD-CE2 4.06Å; F84-V140 HydrophobicContact CD2-CG1 4.22Å; F84-V140 HydrophobicContact CE2-CG1 4.3Å; F84-T143 HydrophobicContact CB-CG2 4.25Å; F84-T143 HydrophobicContact CD1-CG2 3.73Å; F84-T143 HydrophobicContact CD2-CG2 4.11Å; F84-T143 HydrophobicContact CE1-CG2 4.08Å; F84-T143 HydrophobicContact CE2-CG2 4.41Å; F84-T143 HydrophobicContact CG-CG2 3.76Å; F84-T143 HydrophobicContact CZ-CG2 4.4Å; F84-V144 HydrophobicContact CE2-CG2 3.65Å; F84-V144 HydrophobicContact CZ-CG2 3.75Å; F84-L147 HydrophobicContact CD1-CD1 3.95Å; F84-L147 HydrophobicContact CE1-CD1 3.81Å; F84-F148 HydrophobicContact CE1-CE2 4.03Å; F84-F148 HydrophobicContact CZ-CE2 4.18Å; F84-P240 HydrophobicContact CZ-CG 4.12Å
85S88.8Confident89.3Confident119 Ų11953.7 Ų53.783%0.83230%0.295SS*.PPolyproline II helixtrans-80.3137.5173.854.70000110.9
86I89.6Confident89Confident35 Ų3557.3 Ų57.318%0.17931%0.311CS..PPolyproline II helixtrans-103.2160.317560176.6000111D76 A79 L80 E88 L90D76-I86 HydrophobicContact CB-CB 4.46Å; D76-I86 HydrophobicContact CB-CD1 4.09Å; D76-I86 HydrophobicContact CB-CG2 3.97Å; A79-I86 HydrophobicContact CB-CG2 3.73Å; L80-I86 HydrophobicContact CD1-CD1 3.64Å; L80-I86 HydrophobicContact CD2-CD1 4.05Å; L80-I86 HydrophobicContact CD2-CG1 4.09Å; L80-I86 HydrophobicContact CD2-CG2 4.25Å; L80-I86 HydrophobicContact CG-CD1 3.87Å; L80-I86 HydrophobicContact CG-CG1 4.33Å; L80-I86 HydrophobicContact CG-CG2 4Å; I86-E88 WeakPolarHBondContact CD1-O 3.27Å; I86-E88 VanDerWaalsContact CG1-O 3.28Å; I86-E88 WeakPolarHBondContact CG1-O 3.42Å; I86-L90 HydrophobicContact CD1-CB 3.71Å
87Q82.1Confident88.1Confident199 Ų19960.6 Ų60.693%0.9334%0.342SS*.SBendtrans-75.7-34-176.7-66.1-178.51.800112.9
88E85.1Confident87.4Confident123 Ų12361.9 Ų61.958%0.57536%0.355SS*.SBendtrans-124.2134.8-179.4-65.2-176.7166.100109.5K73 I86 L90K73-E88 IonicContact NZ-OE2 2.72Å; K73-E88 PolarHBondContact NZ-OE2 2.98Å; I86-E88 WeakPolarHBondContact CD1-O 3.27Å; I86-E88 VanDerWaalsContact CG1-O 3.28Å; I86-E88 WeakPolarHBondContact CG1-O 3.42Å; E88-L90 PolarHBondContact O-N 2.9Å
89D83.4Confident86.9Confident147 Ų14764.8 Ų64.879%0.78637%0.374SS*.  trans-59.9125.2179.7-69.6-30.3000111.4L91D89-L91 PolarHBondContact O-N 3.45Å
90L85.9Confident86.2Confident35 Ų3570.5 Ų70.518%0.18340%0.403CS..  trans-78.6101.5174.9-175.469.4000109.2K73 V77 L80 I86 E88 W92K73-L90 HydrophobicContact CB-CD1 3.83Å; K73-L90 HydrophobicContact CD-CD1 4.39Å; K73-L90 HydrophobicContact CG-CD1 4.17Å; V77-L90 HydrophobicContact CG2-CD2 3.57Å; L80-L90 HydrophobicContact CD1-CB 3.77Å; L80-L90 HydrophobicContact CD1-CD2 3.73Å; L80-L90 HydrophobicContact CD1-CG 4.39Å; I86-L90 HydrophobicContact CD1-CB 3.71Å; E88-L90 PolarHBondContact O-N 2.9Å; L90-W92 HydrophobicContact CD1-CB 4.04Å; L90-W92 HydrophobicContact CD2-CB 4.3Å; L90-W92 HydrophobicContact CD2-CE3 4.13Å; L90-W92 HydrophobicContact CG-CB 3.9Å; L90-W92 PolarHBondContact O-N 3.08Å; L90-W92 VanDerWaalsContact O-N 3.15Å
91L85.4Confident85.8Confident165 Ų16577.2 Ų77.286%0.86443%0.43SS*.  trans-75.78.2178.2-60.7176.8000114D89D89-L91 PolarHBondContact O-N 3.45Å
92W90.2Very high85.6Confident24 Ų2482 Ų829%0.09145%0.452CS..  trans-80.9124.8-177.5175.173.3000111.2F51 F62 W67 V69 V77 L90 G94 L95 Y127F51-W92 HydrophobicContact CE1-CH2 4.49Å; F62-W92 HydrophobicContact CD1-CH2 4.47Å; W67-W92 PolarHBondContact O-NE1 2.97Å; V69-W92 HydrophobicContact CG2-CD2 3.8Å; V69-W92 HydrophobicContact CG2-CE3 4.45Å; V69-W92 HydrophobicContact CG2-CG 4.19Å; V69-W92 HydrophobicContact CG2-CH2 4.02Å; V69-W92 HydrophobicContact CG2-CZ2 3.3Å; V69-W92 VanDerWaalsContact CG2-NE1 3.26Å; V77-W92 HydrophobicContact CG1-CZ3 4.23Å; V77-W92 HydrophobicContact CG2-CE3 4.16Å; V77-W92 HydrophobicContact CG2-CZ3 4.11Å; L90-W92 HydrophobicContact CD1-CB 4.04Å; L90-W92 HydrophobicContact CD2-CB 4.3Å; L90-W92 HydrophobicContact CD2-CE3 4.13Å; L90-W92 HydrophobicContact CG-CB 3.9Å; L90-W92 PolarHBondContact O-N 3.08Å; L90-W92 VanDerWaalsContact O-N 3.15Å; W92-G94 VanDerWaalsContact C-N 3.29Å; W92-G94 PolarHBondContact O-N 2.83Å; W92-L95 HydrophobicContact CE3-CB 4.07Å; W92-L95 HydrophobicContact CZ3-CB 3.74Å; W92-Y127 AromaticContact CH2-CD2 4Å; W92-Y127 HydrophobicContact CH2-CD2 4Å; W92-Y127 HydrophobicContact CH2-CE1 4.25Å; W92-Y127 AromaticContact CH2-CE2 3.65Å; W92-Y127 HydrophobicContact CH2-CE2 3.65Å; W92-Y127 HydrophobicContact CH2-CG 4.38Å; W92-Y127 AromaticContact CH2-CZ 3.77Å; W92-Y127 AromaticContact CZ2-CD1 3.58Å; W92-Y127 HydrophobicContact CZ2-CD1 3.58Å; W92-Y127 AromaticContact CZ2-CD2 3.69Å; W92-Y127 HydrophobicContact CZ2-CD2 3.69Å; W92-Y127 AromaticContact CZ2-CE1 3.57Å; W92-Y127 HydrophobicContact CZ2-CE1 3.57Å; W92-Y127 AromaticContact CZ2-CE2 3.65Å; W92-Y127 HydrophobicContact CZ2-CE2 3.65Å; W92-Y127 AromaticContact CZ2-CG 3.61Å; W92-Y127 HydrophobicContact CZ2-CG 3.61Å; W92-Y127 AromaticContact CZ2-CZ 3.57Å
93P87.1Confident85.5Confident66 Ų6685.4 Ų85.443%0.42946%0.464SS..THydrogen-bonded Turntrans-80.3-3.4-171.933.3-37.8000114.4H63 W67 L95H63-P93 PolarHBondContact CD2-O 3.43Å; W67-P93 HydrophobicContact CB-CG 4.15Å; W67-P93 HydrophobicContact CD2-CG 3.68Å; W67-P93 HydrophobicContact CE3-CG 4.27Å; W67-P93 HydrophobicContact CG-CG 3.57Å; P93-L95 VanDerWaalsContact C-N 3.34Å; P93-L95 PolarHBondContact O-N 3.48Å
94G87.4Confident85.7Confident0 Ų084 Ų840%045%0.449CS..THydrogen-bonded Turntrans-74.4-19.2-173.900000114.8F62 H63 W92 Y127F62-G94 CarbonylContact C-O 3.59Å; F62-G94 VanDerWaalsContact CA-O 3.28Å; F62-G94 WeakPolarHBondContact CA-O 3.27Å; H63-G94 PolarHBondContact N-O 3Å; W92-G94 VanDerWaalsContact C-N 3.29Å; W92-G94 PolarHBondContact O-N 2.83Å; G94-Y127 PolarHBondContact O-OH 2.96Å; G94-Y127 VanDerWaalsContact O-OH 3.09Å
95L89.7Confident85.8Confident33 Ų3386 Ų8617%0.17346%0.456CS..BIsolated β-bridgetrans-104.9118.3175.1-177.664.2000110.5V60 F62 L80 T81 W92 P93V60-L95 HydrophobicContact CG1-CD1 4.18Å; F62-L95 HydrophobicContact CD1-CD1 4.13Å; F62-L95 HydrophobicContact CE1-CD1 3.73Å; F62-L95 HydrophobicContact CZ-CD1 4.05Å; L80-L95 HydrophobicContact CB-CD2 3.67Å; L80-L95 HydrophobicContact CD1-CD2 4.33Å; T81-L95 HydrophobicContact CG2-CD1 3.92Å; T81-L95 HydrophobicContact CG2-CD2 4.03Å; W92-L95 HydrophobicContact CE3-CB 4.07Å; W92-L95 HydrophobicContact CZ3-CB 3.74Å; P93-L95 VanDerWaalsContact C-N 3.34Å; P93-L95 PolarHBondContact O-N 3.48Å
96Q86.3Confident86Confident89 Ų8980.4 Ų80.442%0.41642%0.416SS..  trans-86.1142.3175.7-171.3176.7-6.800111S61 H63 G98S61-Q96 WeakPolarHBondContact O-CB 3.4Å; S61-Q96 PolarHBondContact O-N 3.25Å; S61-Q96 WeakPolarHBondContact OG-CB 3.49Å; S61-Q96 PolarHBondContact OG-OE1 3.31Å; H63-Q96 PolarHBondContact CE1-OE1 3.36Å; H63-Q96 PolarHBondContact NE2-OE1 2.93Å; Q96-G98 PolarHBondContact O-N 3.29Å; Q96-G98 VanDerWaalsContact O-N 3.1Å
97A75.6Confident86.3Confident99 Ų9978.7 Ų78.782%0.81841%0.408SS*.  trans-64.8110.7172.600000111
98G78.6Confident86.9Confident27 Ų2769.2 Ų69.228%0.27836%0.363SS..  trans-87.9-179.2176.400000114.4Q96 L100Q96-G98 PolarHBondContact O-N 3.29Å; Q96-G98 VanDerWaalsContact O-N 3.1Å; G98-L100 PolarHBondContact O-N 3.39Å
99P82.9Confident87.5Confident60 Ų6063.4 Ų63.439%0.3934%0.336SS..  trans-62130.7-178-16.228.4000112.5F59 F101 Q102 R103F59-P99 HydrophobicContact CB-CG 3.99Å; F59-P99 VanDerWaalsContact O-CD 3.26Å; F59-P99 WeakPolarHBondContact O-CD 3.07Å; P99-F101 PolarHBondContact O-N 3.47Å; P99-F101 VanDerWaalsContact O-N 3.09Å; P99-Q102 HydrophobicContact CB-CB 4.26Å; P99-Q102 PolarHBondContact O-N 2.84Å; P99-R103 PolarHBondContact O-NH1 3.4Å
100L79.1Confident88Confident129 Ų12956.4 Ų56.468%0.67530%0.299SS*.THydrogen-bonded Turntrans-58.1-29-174-66.5175.3000115.1G98G98-L100 PolarHBondContact O-N 3.39Å
101F83.3Confident88.4Confident200 Ų20055.1 Ų55.188%0.87729%0.292SS*.THydrogen-bonded Turntrans-103.1-2.2-173.6-55.4-69.1000114P99P99-F101 PolarHBondContact O-N 3.47Å; P99-F101 VanDerWaalsContact O-N 3.09Å
102Q86.6Confident88.8Confident108 Ų10847.2 Ų47.251%0.50525%0.251SS..  trans-115.4108.4176.1-66.5-179-500108.1F59 P99F59-Q102 HydrophobicContact CB-CB 4.33Å; F59-Q102 HydrophobicContact CD1-CB 4.24Å; F59-Q102 HydrophobicContact CD2-CB 4.05Å; F59-Q102 WeakPolarHBondContact CD2-O 3.4Å; F59-Q102 HydrophobicContact CE2-CB 4.45Å; F59-Q102 HydrophobicContact CG-CB 3.94Å; P99-Q102 HydrophobicContact CB-CB 4.26Å; P99-Q102 PolarHBondContact O-N 2.84Å
103R90.1Very high88.8Confident80 Ų8048.4 Ų48.430%0.30226%0.255SS..  trans-121149.4178.4-60.4-59.3-178.4-140.212.1110.3P99P99-R103 PolarHBondContact O-NH1 3.4Å
104P92.4Very high88.9Confident4 Ų445.4 Ų45.43%0.02624%0.236CC..  trans-55.7144.5169.9-22.835.1000110.8F59 V60 T81 R289 V291F59-P104 HydrophobicContact CE2-CG 4.14Å; V60-P104 HydrophobicContact CG2-CG 3.79Å; T81-P104 WeakPolarHBondContact O-CD 3.2Å; T81-P104 WeakPolarHBondContact O-CG 3.23Å; P104-R289 CarbonylContact C-O 3.56Å; P104-R289 WeakPolarHBondContact CA-O 3.38Å; P104-R289 WeakPolarHBondContact CB-O 3.22Å; P104-V291 HydrophobicContact CB-CG2 4Å; P104-V291 HydrophobicContact CG-CG2 3.62Å
105R91.7Very high89Confident65 Ų6545.7 Ų45.725%0.24524%0.238CC..SBendtrans-88.8-17.2173.3-66-66.2179-175.2-1.6112.6F238 P240 D241 Y286 R289R105-F238 VanDerWaalsContact NH1-C 3.27Å; R105-F238 PolarHBondContact NH1-O 3.38Å; R105-P240 CarbonylContact O-C 3.43Å; R105-P240 WeakPolarHBondContact O-CA 3.3Å; R105-D241 PolarHBondContact O-N 3.12Å; R105-Y286 HydrophobicContact CB-CD1 3.9Å; R105-R289 HydrophobicContact CB-CB 4.26Å; R105-R289 HydrophobicContact CG-CB 4.04Å; R105-R289 PolarHBondContact N-O 2.92Å
106A93.8Very high88.8Confident0 Ų046.5 Ų46.50%024%0.243CC..EExtended strand (participates in β ladder)trans-144.6143.8171.200000110.6D241 Y243 Y286 A290 V291A106-D241 CarbonylContact C-O 3.58Å; A106-D241 VanDerWaalsContact CA-O 3.23Å; A106-D241 WeakPolarHBondContact CA-O 3.36Å; A106-D241 HydrophobicContact CB-CB 4.2Å; A106-Y243 HydrophobicContact CB-CE2 4.4Å; A106-Y286 HydrophobicContact CB-CD1 3.72Å; A106-Y286 HydrophobicContact CB-CD2 3.77Å; A106-Y286 HydrophobicContact CB-CE1 3.6Å; A106-Y286 HydrophobicContact CB-CE2 3.68Å; A106-Y286 HydrophobicContact CB-CG 3.8Å; A106-A290 HydrophobicContact CB-CB 4Å; A106-A290 CarbonylContact O-C 3.57Å; A106-A290 VanDerWaalsContact O-CA 3.28Å; A106-A290 WeakPolarHBondContact O-CA 3.33Å; A106-V291 PolarHBondContact O-N 3.29Å
107N95.6Very high88.8Confident0 Ų045.8 Ų45.80%025%0.247CC..EExtended strand (participates in β ladder)trans-116.7128.5161.9-172.5-58.1000108.5V78 T81 M82 D241 L242 Y243 E293V78-N107 HydrophobicContact CG1-CB 4.4Å; T81-N107 PolarHBondContact OG1-ND2 3.35Å; T81-N107 VanDerWaalsContact OG1-ND2 3.08Å; M82-N107 HydrophobicContact CE-CB 4.21Å; M82-N107 HydrophobicContact CG-CB 4Å; M82-N107 HydrophobicContact SD-CB 3.72Å; N107-D241 PolarHBondContact N-O 2.97Å; N107-L242 HydrophobicContact CB-CD1 4.29Å; N107-Y243 PolarHBondContact O-N 3.32Å; N107-E293 PolarHBondContact ND2-OE1 3.16Å
108V95.9Very high89.4Confident0 Ų041.6 Ų41.60%021%0.211CC..EExtended strand (participates in β ladder)trans-119.1109178.5-177.60000108.1V110 Y243 F278 M282 V291 V292 E293V108-V110 HydrophobicContact CG1-CG2 4.24Å; V108-Y243 HydrophobicContact CG2-CD2 3.74Å; V108-Y243 HydrophobicContact CG2-CG 4.21Å; V108-F278 HydrophobicContact CG1-CE1 3.64Å; V108-F278 HydrophobicContact CG1-CZ 4.21Å; V108-M282 HydrophobicContact CG2-CB 4.46Å; V108-M282 HydrophobicContact CG2-CE 3.61Å; V108-M282 HydrophobicContact CG2-CG 4.49Å; V108-V291 PolarHBondContact N-O 3.13Å; V108-V292 HydrophobicContact CB-CG1 4.28Å; V108-V292 HydrophobicContact CB-CG2 4.21Å; V108-V292 HydrophobicContact CG1-CG1 4.31Å; V108-V292 HydrophobicContact CG2-CG2 4.43Å; V108-V292 CarbonylContact O-C 3.55Å; V108-V292 WeakPolarHBondContact O-CA 3.2Å; V108-E293 PolarHBondContact O-N 3.22Å
109L95.9Very high89.8Confident0 Ų044.7 Ų44.70%023%0.234CC..EExtended strand (participates in β ladder)trans-106.8120.2174.4-173.767.4000109.6F51 V74 V78 V111 F135 L137 Y243 S244 L245 E293 V295F51-L109 HydrophobicContact CE2-CD1 4.24Å; V74-L109 HydrophobicContact CG1-CD1 4.35Å; V74-L109 HydrophobicContact CG1-CD2 4Å; V78-L109 HydrophobicContact CG2-CD2 4.25Å; L109-V111 HydrophobicContact CD2-CG2 4.45Å; L109-V111 HydrophobicContact CG-CG2 4.42Å; L109-F135 HydrophobicContact CD2-CE2 3.7Å; L109-F135 HydrophobicContact CD2-CZ 4.32Å; L109-L137 HydrophobicContact CB-CD1 4.1Å; L109-L137 HydrophobicContact CD2-CD1 3.78Å; L109-L137 HydrophobicContact CD2-CD2 4.24Å; L109-L137 HydrophobicContact CD2-CG 4.22Å; L109-Y243 PolarHBondContact N-O 3.48Å; L109-S244 WeakPolarHBondContact O-CA 3.4Å; L109-L245 PolarHBondContact O-N 3.43Å; L109-E293 HydrophobicContact CD1-CB 3.61Å; L109-V295 HydrophobicContact CD1-CG2 3.69Å; L109-V295 HydrophobicContact CG-CG2 4.45Å
110V95.2Very high90.1Very high1 Ų143 Ų431%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-111.3118.3173.6-171.60000109.7V108 V112 L245 L247 L275 F278 E293 V294 V295V108-V110 HydrophobicContact CG1-CG2 4.24Å; V110-V112 HydrophobicContact CG1-CG2 4.19Å; V110-L245 CarbonylContact C-O 3.5Å; V110-L245 VanDerWaalsContact CA-O 3.27Å; V110-L245 WeakPolarHBondContact CA-O 3.28Å; V110-L245 HydrophobicContact CG1-CB 4.41Å; V110-L245 HydrophobicContact CG2-CB 4.37Å; V110-L245 HydrophobicContact CG2-CD1 4.37Å; V110-L247 HydrophobicContact CG1-CD1 3.73Å; V110-L247 HydrophobicContact CG1-CG 3.97Å; V110-L275 HydrophobicContact CB-CD2 4.4Å; V110-L275 HydrophobicContact CG1-CD2 3.86Å; V110-L275 HydrophobicContact CG2-CD2 4.35Å; V110-F278 HydrophobicContact CG2-CE1 4.21Å; V110-E293 PolarHBondContact N-O 3.44Å; V110-V294 HydrophobicContact CB-CG2 4.35Å; V110-V294 CarbonylContact O-C 3.55Å; V110-V294 VanDerWaalsContact O-CA 3.23Å; V110-V294 WeakPolarHBondContact O-CA 3.45Å; V110-V295 PolarHBondContact O-N 3.34Å
111V93.8Very high90.4Very high7 Ų742 Ų424%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-98.1118.1175.5-176.40000108.4L109 F135 L245 E246 L247 V295 F300L109-V111 HydrophobicContact CD2-CG2 4.45Å; L109-V111 HydrophobicContact CG-CG2 4.42Å; V111-F135 HydrophobicContact CG2-CE2 4.04Å; V111-F135 HydrophobicContact CG2-CZ 3.83Å; V111-L245 PolarHBondContact N-O 3.22Å; V111-E246 HydrophobicContact CB-CB 4.45Å; V111-E246 HydrophobicContact CB-CG 4.4Å; V111-E246 CarbonylContact O-C 3.3Å; V111-E246 WeakPolarHBondContact O-CA 3.37Å; V111-L247 PolarHBondContact O-N 3.01Å; V111-V295 CarbonylContact C-O 3.52Å; V111-V295 WeakPolarHBondContact CA-O 3.18Å; V111-V295 HydrophobicContact CG1-CB 4.49Å; V111-V295 HydrophobicContact CG2-CB 4.32Å; V111-V295 HydrophobicContact CG2-CG2 4.45Å; V111-F300 HydrophobicContact CG1-CZ 3.92Å
112V93.4Very high90.5Very high0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-108.3119.7178.6-174.60000109.3V110 V115 L118 L247 L250 L271 L275 V294 V295 T296 V297V110-V112 HydrophobicContact CG1-CG2 4.19Å; V112-V115 HydrophobicContact CB-CG1 4.33Å; V112-V115 HydrophobicContact CG1-CG1 3.69Å; V112-L118 HydrophobicContact CB-CD1 4.34Å; V112-L118 HydrophobicContact CG1-CD1 4.22Å; V112-L118 HydrophobicContact CG2-CD1 4.1Å; V112-L247 HydrophobicContact CG2-CD1 4.4Å; V112-L250 HydrophobicContact CG1-CD1 3.87Å; V112-L271 HydrophobicContact CG1-CD2 3.54Å; V112-L271 HydrophobicContact CG2-CD2 4.16Å; V112-L275 HydrophobicContact CG2-CD1 3.87Å; V112-V294 HydrophobicContact CG2-CG1 3.96Å; V112-V295 PolarHBondContact N-O 3.12Å; V112-T296 WeakPolarHBondContact O-CA 3.39Å; V112-V297 PolarHBondContact O-N 3.45Å
113R91.4Very high90.7Very high48 Ų4836 Ų3618%0.18120%0.201CC..EExtended strand (participates in β ladder)trans-97.3152.9179.7-62.9175.957.5163-1.3112.3E246 L247 L250 E251 V297 F300R113-E246 WeakPolarHBondContact CD-OE1 3.5Å; R113-E246 IonicContact CZ-OE1 3.61Å; R113-E246 IonicContact NE-OE1 3.09Å; R113-E246 IonicContact NH1-OE1 3.1Å; R113-E246 PolarHBondContact NH1-OE1 3.3Å; R113-L247 PolarHBondContact N-O 3.37Å; R113-L250 WeakPolarHBondContact O-CB 3.42Å; R113-E251 HydrophobicContact CB-CB 4.22Å; R113-E251 WeakPolarHBondContact CB-OE2 3.43Å; R113-E251 IonicContact CZ-OE2 3.77Å; R113-E251 IonicContact NE-OE2 2.89Å; R113-E251 PolarHBondContact NE-OE2 3.44Å; R113-E251 IonicContact NH2-OE1 3.81Å; R113-E251 PolarHBondContact NH2-OE1 3.37Å; R113-E251 IonicContact NH2-OE2 3.35Å; R113-E251 PolarHBondContact NH2-OE2 2.89Å; R113-E251 PolarHBondContact O-N 3.1Å; R113-V297 CarbonylContact C-O 3.53Å; R113-V297 VanDerWaalsContact CA-O 3.25Å; R113-V297 WeakPolarHBondContact CA-O 3.44Å; R113-F300 HydrophobicContact CG-CE2 4.13Å
114G87.9Confident90.7Very high3 Ų334.2 Ų34.23%0.03120%0.199CC..SBendtrans85.310.1176.200000114.9Y264 V297 K298G114-Y264 PolarHBondContact O-OH 3.32Å; G114-V297 PolarHBondContact N-O 3.46Å; G114-K298 VanDerWaalsContact CA-O 3.31Å; G114-K298 WeakPolarHBondContact CA-O 3.35Å; G114-K298 PolarHBondContact N-O 3.28Å
115V90.1Very high90.7Very high6 Ų634.2 Ų34.24%0.03620%0.2CC..  trans-139135.6-18068.30000111V112 S117 L118 L250 T268 T296 V297V112-V115 HydrophobicContact CB-CG1 4.33Å; V112-V115 HydrophobicContact CG1-CG1 3.69Å; V115-S117 WeakPolarHBondContact CG2-O 3.26Å; V115-L118 HydrophobicContact CG1-CD1 4.39Å; V115-L118 HydrophobicContact CG1-CD2 4.15Å; V115-L118 HydrophobicContact CG1-CG 3.96Å; V115-L118 HydrophobicContact CG2-CD2 4.02Å; V115-L118 HydrophobicContact CG2-CG 4.39Å; V115-L250 HydrophobicContact CB-CD1 4.27Å; V115-L250 HydrophobicContact CG1-CD1 4.2Å; V115-T268 HydrophobicContact CG2-CG2 4.34Å; V115-T296 HydrophobicContact CG1-CG2 4.09Å; V115-V297 PolarHBondContact N-O 2.93Å; V115-V297 CarbonylContact O-C 3.58Å; V115-V297 VanDerWaalsContact O-C 3.3Å; V115-V297 PolarHBondContact O-N 3.32Å
116D85.9Confident90.7Very high51 Ų5133.8 Ų33.827%0.27321%0.207SC..SBendtrans-72.7-49.4-177.2-48.8-59.2000109.8D49 K259 T296 K298D49-D116 WeakPolarHBondContact CA-O 3.33Å; D116-K259 IonicContact OD1-NZ 2.88Å; D116-K259 PolarHBondContact OD1-NZ 3.01Å; D116-K259 IonicContact OD2-NZ 3.19Å; D116-K259 PolarHBondContact OD2-NZ 3.46Å; D116-T296 PolarHBondContact O-OG1 2.95Å; D116-K298 WeakPolarHBondContact OD1-CB 3.26Å; D116-K298 VanDerWaalsContact OD1-CD 3.27Å; D116-K298 WeakPolarHBondContact OD1-CD 3.17Å; D116-K298 WeakPolarHBondContact OD1-CG 3.49Å
117S86.4Confident90.6Very high73 Ų7333.9 Ų33.951%0.5121%0.207SC..  trans-148.7151.3173.261.10000111.6V115V115-S117 WeakPolarHBondContact CG2-O 3.26Å
118L87.6Confident90.5Very high12 Ų1236.3 Ų36.36%0.06322%0.223CC..  trans-108.8131174.4-72.9173.8000109.9V112 V115 F120 T268 L271 L275 T296V112-L118 HydrophobicContact CB-CD1 4.34Å; V112-L118 HydrophobicContact CG1-CD1 4.22Å; V112-L118 HydrophobicContact CG2-CD1 4.1Å; V115-L118 HydrophobicContact CG1-CD1 4.39Å; V115-L118 HydrophobicContact CG1-CD2 4.15Å; V115-L118 HydrophobicContact CG1-CG 3.96Å; V115-L118 HydrophobicContact CG2-CD2 4.02Å; V115-L118 HydrophobicContact CG2-CG 4.39Å; L118-F120 HydrophobicContact CB-CD2 4.22Å; L118-F120 HydrophobicContact CB-CE1 4.18Å; L118-F120 HydrophobicContact CB-CE2 3.54Å; L118-F120 HydrophobicContact CB-CZ 3.5Å; L118-F120 VanDerWaalsContact CB-CZ 3.5Å; L118-F120 HydrophobicContact CD1-CE1 4.35Å; L118-F120 HydrophobicContact CD1-CE2 4.43Å; L118-F120 HydrophobicContact CD1-CZ 3.69Å; L118-F120 HydrophobicContact CG-CZ 4.26Å; L118-F120 VanDerWaalsContact O-CD2 3.32Å; L118-F120 WeakPolarHBondContact O-CD2 3.43Å; L118-F120 PolarHBondContact O-N 3.09Å; L118-T268 HydrophobicContact CD2-CG2 3.47Å; L118-T268 VanDerWaalsContact CD2-CG2 3.47Å; L118-L271 HydrophobicContact CD1-CD2 4.29Å; L118-L275 HydrophobicContact CD1-CD1 3.93Å; L118-T296 HydrophobicContact CB-CG2 4.1Å; L118-T296 HydrophobicContact CD1-CG2 3.84Å; L118-T296 HydrophobicContact CG-CG2 3.77Å
119A87.3Confident90.3Very high92 Ų9237 Ų3776%0.7623%0.226SC*.  trans-82.697177.500000110.2
120F89.4Confident89.9Confident25 Ų2541.8 Ų41.811%0.1125%0.248CC..  trans-88.9138.5176.6-62-71.7000111.7T52 L54 L118 Q122 T123 A272 L275 V294T52-F120 HydrophobicContact CG2-CD2 3.98Å; T52-F120 HydrophobicContact CG2-CE2 4.26Å; L54-F120 HydrophobicContact CD1-CE1 4.42Å; L54-F120 HydrophobicContact CD2-CB 3.99Å; L54-F120 HydrophobicContact CD2-CD1 3.73Å; L54-F120 HydrophobicContact CD2-CD2 3.75Å; L54-F120 HydrophobicContact CD2-CE1 4.11Å; L54-F120 HydrophobicContact CD2-CE2 4.11Å; L54-F120 HydrophobicContact CD2-CG 3.53Å; L54-F120 HydrophobicContact CD2-CZ 4.28Å; L118-F120 HydrophobicContact CB-CD2 4.22Å; L118-F120 HydrophobicContact CB-CE1 4.18Å; L118-F120 HydrophobicContact CB-CE2 3.54Å; L118-F120 HydrophobicContact CB-CZ 3.5Å; L118-F120 VanDerWaalsContact CB-CZ 3.5Å; L118-F120 HydrophobicContact CD1-CE1 4.35Å; L118-F120 HydrophobicContact CD1-CE2 4.43Å; L118-F120 HydrophobicContact CD1-CZ 3.69Å; L118-F120 HydrophobicContact CG-CZ 4.26Å; L118-F120 VanDerWaalsContact O-CD2 3.32Å; L118-F120 WeakPolarHBondContact O-CD2 3.43Å; L118-F120 PolarHBondContact O-N 3.09Å; F120-Q122 VanDerWaalsContact C-N 3.33Å; F120-Q122 PolarHBondContact O-N 3.48Å; F120-T123 HydrophobicContact CB-CG2 3.55Å; F120-T123 HydrophobicContact CD2-CG2 4.24Å; F120-T123 HydrophobicContact CG-CG2 4.3Å; F120-A272 HydrophobicContact CD1-CB 4.38Å; F120-A272 HydrophobicContact CE1-CB 4.39Å; F120-L275 HydrophobicContact CE1-CB 3.93Å; F120-L275 HydrophobicContact CE1-CD1 4.17Å; F120-L275 HydrophobicContact CZ-CD1 4.21Å; F120-V294 HydrophobicContact CE2-CB 4.43Å; F120-V294 HydrophobicContact CE2-CG1 4.41Å; F120-V294 HydrophobicContact CZ-CB 4.21Å; F120-V294 HydrophobicContact CZ-CG1 3.97Å; F120-V294 HydrophobicContact CZ-CG2 4.24Å
121P84.4Confident89.4Confident106 Ų10645.7 Ų45.769%0.68827%0.27SS*.SBendtrans-64.5-33.5176.7-23.233.7000114.1
122Q86.6Confident88.9Confident117 Ų11745.8 Ų45.855%0.54727%0.27SS..SBendtrans-134.9124.3-179.7-61-177.4-400109.7F120 Q276F120-Q122 VanDerWaalsContact C-N 3.33Å; F120-Q122 PolarHBondContact O-N 3.48Å; Q122-Q276 PolarHBondContact O-OE1 2.82Å; Q122-Q276 VanDerWaalsContact O-OE1 3.09Å
123T90Very high88.6Confident65 Ų6546.4 Ų46.440%0.39927%0.274SS..  trans-135.8146176.858.20000110.5T52 L54 F120T52-T123 HydrophobicContact CG2-CG2 3.67Å; L54-T123 HydrophobicContact CD2-CG2 4.3Å; F120-T123 HydrophobicContact CB-CG2 3.55Å; F120-T123 HydrophobicContact CD2-CG2 4.24Å; F120-T123 HydrophobicContact CG-CG2 4.3Å
124V89.8Confident88.3Confident44 Ų4448.1 Ų48.127%0.26729%0.291SS..SBendtrans-79.1-53172.71760000109.3V53 A56 F62 K64V53-V124 HydrophobicContact CB-CB 4.25Å; V53-V124 HydrophobicContact CG1-CB 4.1Å; V53-V124 HydrophobicContact CG1-CG1 4.49Å; V53-V124 WeakPolarHBondContact O-CB 3.33Å; V53-V124 PolarHBondContact O-N 3.34Å; A56-V124 HydrophobicContact CB-CG1 4.38Å; A56-V124 HydrophobicContact CB-CG2 4.37Å; F62-V124 HydrophobicContact CB-CG1 4.36Å; K64-V124 WeakPolarHBondContact CE-O 3.5Å
125A91.7Very high88.3Confident4 Ų449.7 Ų49.73%0.03330%0.297CS..EExtended strand (participates in β ladder)trans-154.5155.517800000109.9V53 F62 Y127V53-A125 PolarHBondContact N-O 3.02Å; F62-A125 HydrophobicContact CB-CB 3.92Å; A125-Y127 HydrophobicContact CB-CE2 3.61Å
126S92.3Very high88.1Confident56 Ų5653.5 Ų53.539%0.39232%0.32SS..EExtended strand (participates in β ladder)trans-141.2138.1174.7-1730000108.4F51 T52F51-S126 WeakPolarHBondContact O-CA 3.48Å; T52-S126 PolarHBondContact OG1-OG 3.37Å
127Y92.9Very high88.3Confident2 Ų251 Ų511%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-134.2142.8-173.5-53.1-85000109.7S50 F51 F62 H63 G65 W67 W92 G94 A125S50-Y127 CarbonylContact C-O 3.6Å; S50-Y127 WeakPolarHBondContact CA-O 3.47Å; F51-Y127 AromaticContact CD1-CD2 3.83Å; F51-Y127 HydrophobicContact CD1-CD2 3.83Å; F51-Y127 HydrophobicContact CD1-CE2 4.48Å; F51-Y127 HydrophobicContact CE1-CD2 4.41Å; F51-Y127 PolarHBondContact N-O 2.91Å; F51-Y127 PolarHBondContact O-N 3.31Å; F62-Y127 WeakPolarHBondContact CB-OH 3.31Å; F62-Y127 HydrophobicContact CD1-CE2 4.43Å; H63-Y127 PolarHBondContact N-OH 3.47Å; H63-Y127 WeakPolarHBondContact O-CE1 3.38Å; H63-Y127 PolarHBondContact O-OH 3.28Å; G65-Y127 WeakPolarHBondContact O-CD1 3.46Å; G65-Y127 WeakPolarHBondContact O-CE1 2.98Å; W67-Y127 HydrophobicContact CE3-CE1 4.1Å; W67-Y127 HydrophobicContact CZ3-CE1 4.47Å; W92-Y127 AromaticContact CH2-CD2 4Å; W92-Y127 HydrophobicContact CH2-CD2 4Å; W92-Y127 HydrophobicContact CH2-CE1 4.25Å; W92-Y127 AromaticContact CH2-CE2 3.65Å; W92-Y127 HydrophobicContact CH2-CE2 3.65Å; W92-Y127 HydrophobicContact CH2-CG 4.38Å; W92-Y127 AromaticContact CH2-CZ 3.77Å; W92-Y127 AromaticContact CZ2-CD1 3.58Å; W92-Y127 HydrophobicContact CZ2-CD1 3.58Å; W92-Y127 AromaticContact CZ2-CD2 3.69Å; W92-Y127 HydrophobicContact CZ2-CD2 3.69Å; W92-Y127 AromaticContact CZ2-CE1 3.57Å; W92-Y127 HydrophobicContact CZ2-CE1 3.57Å; W92-Y127 AromaticContact CZ2-CE2 3.65Å; W92-Y127 HydrophobicContact CZ2-CE2 3.65Å; W92-Y127 AromaticContact CZ2-CG 3.61Å; W92-Y127 HydrophobicContact CZ2-CG 3.61Å; W92-Y127 AromaticContact CZ2-CZ 3.57Å; G94-Y127 PolarHBondContact O-OH 2.96Å; G94-Y127 VanDerWaalsContact O-OH 3.09Å; A125-Y127 HydrophobicContact CB-CE2 3.61Å
128P92.5Very high88.4Confident51 Ų5151 Ų5133%0.33130%0.302SS..EExtended strand (participates in β ladder)trans-67.4142.2173.125.3-27.8000110.4P68 V69P68-P128 CarbonylContact C-O 3.48Å; P68-P128 VanDerWaalsContact CA-O 3.26Å; P68-P128 WeakPolarHBondContact CA-O 3.43Å; P68-P128 HydrophobicContact CB-CG 4.29Å; V69-P128 PolarHBondContact N-O 3.31Å
129L90.9Very high88.5Confident14 Ų1453.7 Ų53.77%0.07332%0.321CS..EExtended strand (participates in β ladder)trans-99.5128.2176.6-165.475.8000109.5D49 F51 V69 V74 P132 V295 V297D49-L129 HydrophobicContact CB-CB 3.91Å; D49-L129 HydrophobicContact CB-CD2 4.13Å; D49-L129 WeakPolarHBondContact O-CB 3.31Å; D49-L129 PolarHBondContact O-N 2.92Å; F51-L129 HydrophobicContact CB-CD1 4.35Å; V69-L129 HydrophobicContact CB-CD1 4.41Å; V69-L129 CarbonylContact O-C 3.55Å; V69-L129 WeakPolarHBondContact O-CA 3.28Å; V69-L129 WeakPolarHBondContact O-CD1 3.37Å; V74-L129 HydrophobicContact CG2-CD1 3.93Å; L129-P132 HydrophobicContact CD2-CB 4.11Å; L129-V295 HydrophobicContact CD2-CG1 3.78Å; L129-V297 HydrophobicContact CD2-CG2 3.93Å
130E88.4Confident88.7Confident100 Ų10049.5 Ų49.547%0.46729%0.286SS..EExtended strand (participates in β ladder)trans-107145.4173.9-78-177.1-179.700110.4P68 V69 S70 G71P68-E130 HydrophobicContact CB-CB 4.35Å; P68-E130 HydrophobicContact CB-CG 3.51Å; P68-E130 VanDerWaalsContact CB-OE1 3.23Å; P68-E130 WeakPolarHBondContact CB-OE1 2.96Å; P68-E130 HydrophobicContact CG-CG 4.38Å; P68-E130 WeakPolarHBondContact CG-OE1 3.47Å; V69-E130 PolarHBondContact O-N 2.98Å; S70-E130 CarbonylContact C-O 3.54Å; S70-E130 WeakPolarHBondContact CA-O 3.09Å; G71-E130 PolarHBondContact N-O 3.2Å
131N84.9Confident88.7Confident84 Ų8448.3 Ų48.345%0.44928%0.281SS..SBendtrans49.767.9179.4-52.4-57.1000111.9V133N131-V133 VanDerWaalsContact C-N 3.26Å; N131-V133 PolarHBondContact O-N 3.02Å
132P84Confident89Confident9 Ų950.2 Ų50.26%0.05828%0.281CS..  trans-69.583.6-178.932.3-37.3000109.6D49 L129 V297 F300 E301D49-P132 VanDerWaalsContact OD2-CB 3.26Å; D49-P132 WeakPolarHBondContact OD2-CB 3.45Å; D49-P132 VanDerWaalsContact OD2-CG 3.23Å; D49-P132 WeakPolarHBondContact OD2-CG 3.41Å; L129-P132 HydrophobicContact CD2-CB 4.11Å; P132-V297 HydrophobicContact CB-CG1 3.83Å; P132-V297 HydrophobicContact CB-CG2 4.37Å; P132-F300 CarbonylContact O-C 3.51Å; P132-F300 WeakPolarHBondContact O-CA 3.46Å; P132-E301 HydrophobicContact CG-CB 4.45Å; P132-E301 HydrophobicContact CG-CG 4.03Å; P132-E301 PolarHBondContact O-N 3.5Å
133V85.6Confident89.2Confident12 Ų1246.8 Ų46.87%0.07327%0.268CS..  trans-93152.2173.2-60.30000110.2E72 N131 F135 F300 P303E72-V133 HydrophobicContact CB-CG2 4.32Å; E72-V133 HydrophobicContact CG-CG2 3.31Å; N131-V133 VanDerWaalsContact C-N 3.26Å; N131-V133 PolarHBondContact O-N 3.02Å; V133-F135 WeakPolarHBondContact O-CD1 3.4Å; V133-F135 PolarHBondContact O-N 3.06Å; V133-F300 VanDerWaalsContact C-CD1 3.43Å; V133-F300 WeakPolarHBondContact O-CE1 3.47Å; V133-P303 HydrophobicContact CG1-CB 4.22Å
134P85.7Confident89.2Confident84 Ų8443.7 Ų43.755%0.54525%0.249SC..  trans-60.4132.1170.5-17.830.9000110F300P134-F300 HydrophobicContact CB-CD1 4.49Å; P134-F300 HydrophobicContact CB-CD2 4.41Å; P134-F300 HydrophobicContact CB-CG 4.33Å; P134-F300 HydrophobicContact CG-CB 3.71Å; P134-F300 HydrophobicContact CG-CD1 4.23Å; P134-F300 HydrophobicContact CG-CD2 4.17Å; P134-F300 HydrophobicContact CG-CG 3.81Å
135F87.8Confident89Confident37 Ų3745.9 Ų45.916%0.16226%0.256CS..  trans-133155.2176.558.9-99.2000109.9G71 V74 P75 L109 V111 V133 V295G71-F135 WeakPolarHBondContact O-CD1 3.25Å; V74-F135 HydrophobicContact CB-CD1 4.43Å; V74-F135 HydrophobicContact CB-CE1 4.1Å; V74-F135 HydrophobicContact CB-CE2 4.24Å; V74-F135 HydrophobicContact CB-CZ 4.01Å; V74-F135 HydrophobicContact CG1-CE1 4.34Å; V74-F135 HydrophobicContact CG1-CE2 3.88Å; V74-F135 HydrophobicContact CG1-CZ 3.75Å; V74-F135 HydrophobicContact CG2-CE1 4.19Å; V74-F135 HydrophobicContact CG2-CZ 4.38Å; P75-F135 HydrophobicContact CG-CB 3.9Å; P75-F135 HydrophobicContact CG-CD2 3.98Å; P75-F135 HydrophobicContact CG-CG 4.16Å; L109-F135 HydrophobicContact CD2-CE2 3.7Å; L109-F135 HydrophobicContact CD2-CZ 4.32Å; V111-F135 HydrophobicContact CG2-CE2 4.04Å; V111-F135 HydrophobicContact CG2-CZ 3.83Å; V133-F135 WeakPolarHBondContact O-CD1 3.4Å; V133-F135 PolarHBondContact O-N 3.06Å; F135-V295 HydrophobicContact CZ-CG1 4.45Å; F135-V295 HydrophobicContact CZ-CG2 4.09Å
136T86.8Confident88.9Confident85 Ų8549.2 Ų49.252%0.52128%0.279SS..  trans-124.3159.1173660000109.7D138T136-D138 VanDerWaalsContact C-N 3.33Å; T136-D138 VanDerWaalsContact CB-OD2 3.28Å; T136-D138 WeakPolarHBondContact CB-OD2 3.41Å; T136-D138 VanDerWaalsContact OG1-CG 3.25Å; T136-D138 PolarHBondContact OG1-OD2 3.31Å
137L90Very high88.8Confident0 Ų051.8 Ų51.80%029%0.288CS..  trans-98.225.6175.9-62.4-175.7000112.1P75 V78 L109 S139 V140 A141 L242P75-L137 HydrophobicContact CB-CD2 3.78Å; P75-L137 HydrophobicContact CG-CD2 4.08Å; V78-L137 HydrophobicContact CB-CD2 4.25Å; V78-L137 HydrophobicContact CG1-CD1 4.21Å; V78-L137 HydrophobicContact CG1-CD2 4.31Å; V78-L137 HydrophobicContact CG2-CD2 4.3Å; L109-L137 HydrophobicContact CB-CD1 4.1Å; L109-L137 HydrophobicContact CD2-CD1 3.78Å; L109-L137 HydrophobicContact CD2-CD2 4.24Å; L109-L137 HydrophobicContact CD2-CG 4.22Å; L137-S139 PolarHBondContact O-N 3.04Å; L137-V140 HydrophobicContact CB-CB 4.43Å; L137-V140 HydrophobicContact CD2-CG2 4.38Å; L137-V140 WeakPolarHBondContact O-CB 3.38Å; L137-V140 PolarHBondContact O-N 3.33Å; L137-V140 VanDerWaalsContact O-N 3.15Å; L137-A141 WeakPolarHBondContact O-CB 3.23Å; L137-A141 PolarHBondContact O-N 3.05Å; L137-L242 HydrophobicContact CB-CD2 4.18Å; L137-L242 HydrophobicContact CD1-CD1 3.95Å
138D88.5Confident88.5Confident73 Ų7354.2 Ų54.239%0.3930%0.299SS..Hα-helixtrans-65.7-39.8-172-58.2-27000112.3T136 V140 A141 E142 Q157T136-D138 VanDerWaalsContact C-N 3.33Å; T136-D138 VanDerWaalsContact CB-OD2 3.28Å; T136-D138 WeakPolarHBondContact CB-OD2 3.41Å; T136-D138 VanDerWaalsContact OG1-CG 3.25Å; T136-D138 PolarHBondContact OG1-OD2 3.31Å; D138-V140 VanDerWaalsContact C-N 3.26Å; D138-V140 PolarHBondContact O-N 3.45Å; D138-A141 WeakPolarHBondContact O-CB 3.41Å; D138-A141 PolarHBondContact O-N 3.31Å; D138-E142 WeakPolarHBondContact O-CB 3.45Å; D138-E142 PolarHBondContact O-N 3.48Å; D138-Q157 PolarHBondContact OD1-NE2 2.85Å; D138-Q157 PolarHBondContact OD1-OE1 2.98Å
139S88.9Confident88Confident68 Ų6854.7 Ų54.748%0.47630%0.303SS..Hα-helixtrans-61.3-37.9174.957.90000111.9L137 T143L137-S139 PolarHBondContact O-N 3.04Å; S139-T143 WeakPolarHBondContact O-CB 3.46Å; S139-T143 PolarHBondContact O-N 3.3Å; S139-T143 PolarHBondContact O-OG1 3.19Å
140V91.3Very high87.6Confident3 Ų362 Ų622%0.01834%0.337CS..Hα-helixtrans-72.5-44.3178.5-172.20000110.2V78 A79 M82 F84 L137 D138 E142 T143 V144 L242V78-V140 HydrophobicContact CG1-CG1 4.34Å; A79-V140 HydrophobicContact CB-CG2 4.11Å; M82-V140 HydrophobicContact CE-CG1 3.15Å; F84-V140 HydrophobicContact CD2-CG1 4.22Å; F84-V140 HydrophobicContact CE2-CG1 4.3Å; L137-V140 HydrophobicContact CB-CB 4.43Å; L137-V140 HydrophobicContact CD2-CG2 4.38Å; L137-V140 WeakPolarHBondContact O-CB 3.38Å; L137-V140 PolarHBondContact O-N 3.33Å; L137-V140 VanDerWaalsContact O-N 3.15Å; D138-V140 VanDerWaalsContact C-N 3.26Å; D138-V140 PolarHBondContact O-N 3.45Å; V140-E142 VanDerWaalsContact C-N 3.35Å; V140-E142 PolarHBondContact O-N 2.95Å; V140-T143 WeakPolarHBondContact O-CB 3.23Å; V140-T143 PolarHBondContact O-N 3.07Å; V140-V144 WeakPolarHBondContact O-CG2 3.39Å; V140-V144 PolarHBondContact O-N 3.09Å; V140-L242 HydrophobicContact CB-CD2 4.16Å; V140-L242 HydrophobicContact CG1-CD2 4.02Å
141A90.3Very high87.4Confident1 Ų161.7 Ų61.71%0.00833%0.332CS..Hα-helixtrans-57.9-45.3174.100000112.1L137 D138 T143 V144 H145 V155 L168 L242L137-A141 WeakPolarHBondContact O-CB 3.23Å; L137-A141 PolarHBondContact O-N 3.05Å; D138-A141 WeakPolarHBondContact O-CB 3.41Å; D138-A141 PolarHBondContact O-N 3.31Å; A141-T143 VanDerWaalsContact C-N 3.33Å; A141-T143 PolarHBondContact O-N 3.32Å; A141-V144 PolarHBondContact O-N 3.24Å; A141-H145 WeakPolarHBondContact O-CB 3.43Å; A141-H145 PolarHBondContact O-N 3.2Å; A141-V155 HydrophobicContact CB-CG1 3.71Å; A141-L168 HydrophobicContact CB-CD1 4.14Å; A141-L242 HydrophobicContact CB-CD2 4.05Å
142E89.3Confident87.2Confident145 Ų14560.3 Ų60.368%0.67833%0.327SS*.Hα-helixtrans-64.9-37.8176.6-173.4172.4-163.500111.6D138 V140 H145 S146D138-E142 WeakPolarHBondContact O-CB 3.45Å; D138-E142 PolarHBondContact O-N 3.48Å; V140-E142 VanDerWaalsContact C-N 3.35Å; V140-E142 PolarHBondContact O-N 2.95Å; E142-H145 PolarHBondContact O-N 3.07Å; E142-S146 VanDerWaalsContact O-CB 3.29Å; E142-S146 WeakPolarHBondContact O-CB 3.38Å; E142-S146 PolarHBondContact O-N 3.26Å; E142-S146 PolarHBondContact O-OG 3.42Å
143T90.9Very high87.3Confident46 Ų4660 Ų6028%0.28233%0.325SS..Hα-helixtrans-64-44.7174.4-58.60000111.4F84 S139 V140 A141 S146 L147F84-T143 HydrophobicContact CB-CG2 4.25Å; F84-T143 HydrophobicContact CD1-CG2 3.73Å; F84-T143 HydrophobicContact CD2-CG2 4.11Å; F84-T143 HydrophobicContact CE1-CG2 4.08Å; F84-T143 HydrophobicContact CE2-CG2 4.41Å; F84-T143 HydrophobicContact CG-CG2 3.76Å; F84-T143 HydrophobicContact CZ-CG2 4.4Å; S139-T143 WeakPolarHBondContact O-CB 3.46Å; S139-T143 PolarHBondContact O-N 3.3Å; S139-T143 PolarHBondContact O-OG1 3.19Å; V140-T143 WeakPolarHBondContact O-CB 3.23Å; V140-T143 PolarHBondContact O-N 3.07Å; A141-T143 VanDerWaalsContact C-N 3.33Å; A141-T143 PolarHBondContact O-N 3.32Å; T143-S146 WeakPolarHBondContact CA-OG 3.25Å; T143-S146 PolarHBondContact O-OG 3.45Å; T143-S146 VanDerWaalsContact O-OG 3.07Å; T143-L147 HydrophobicContact CG2-CD1 3.65Å; T143-L147 HydrophobicContact CG2-CG 4.26Å; T143-L147 WeakPolarHBondContact O-CB 3.26Å; T143-L147 WeakPolarHBondContact O-CG 3.47Å; T143-L147 PolarHBondContact O-N 3.15Å
144V90.4Very high87.3Confident0 Ų059.7 Ų59.70%032%0.323CS..Hα-helixtrans-60.5-47.6174.7171.40000110.5F84 V140 A141 S146 F148 P153 V155 P240F84-V144 HydrophobicContact CE2-CG2 3.65Å; F84-V144 HydrophobicContact CZ-CG2 3.75Å; V140-V144 WeakPolarHBondContact O-CG2 3.39Å; V140-V144 PolarHBondContact O-N 3.09Å; A141-V144 PolarHBondContact O-N 3.24Å; V144-S146 PolarHBondContact O-N 2.73Å; V144-F148 WeakPolarHBondContact O-CB 3.45Å; V144-F148 PolarHBondContact O-N 2.72Å; V144-P153 HydrophobicContact CG1-CB 3.54Å; V144-P153 HydrophobicContact CG1-CG 4.14Å; V144-V155 HydrophobicContact CG1-CG2 4.16Å; V144-P240 HydrophobicContact CG1-CG 4.37Å; V144-P240 VanDerWaalsContact CG1-O 3.32Å; V144-P240 WeakPolarHBondContact CG1-O 3.34Å; V144-P240 HydrophobicContact CG2-CG 4.35Å
145H87Confident87.4Confident90 Ų9056 Ų5642%0.41730%0.299SS..Hα-helixtrans-64.5-42.1-178.1-170.970.8000112.6A141 E142 S149A141-H145 WeakPolarHBondContact O-CB 3.43Å; A141-H145 PolarHBondContact O-N 3.2Å; E142-H145 PolarHBondContact O-N 3.07Å; H145-S149 WeakPolarHBondContact O-CA 3.49Å; H145-S149 VanDerWaalsContact O-CB 3.31Å; H145-S149 WeakPolarHBondContact O-CB 3.33Å; H145-S149 PolarHBondContact O-N 3.09Å; H145-S149 VanDerWaalsContact O-N 3.17Å
146S89.3Confident87.4Confident73 Ų7354.2 Ų54.251%0.5129%0.291SS..Hα-helixtrans-70.6-46-179.556.90000112.5E142 T143 V144E142-S146 VanDerWaalsContact O-CB 3.29Å; E142-S146 WeakPolarHBondContact O-CB 3.38Å; E142-S146 PolarHBondContact O-N 3.26Å; E142-S146 PolarHBondContact O-OG 3.42Å; T143-S146 WeakPolarHBondContact CA-OG 3.25Å; T143-S146 PolarHBondContact O-OG 3.45Å; T143-S146 VanDerWaalsContact O-OG 3.07Å; V144-S146 PolarHBondContact O-N 2.73Å
147L89.6Confident87.3Confident111 Ų11151 Ų5158%0.58127%0.27SS*.Hα-helixtrans-75.2-29.8-177.3-66.1179.5000113.4F84 T143F84-L147 HydrophobicContact CD1-CD1 3.95Å; F84-L147 HydrophobicContact CE1-CD1 3.81Å; T143-L147 HydrophobicContact CG2-CD1 3.65Å; T143-L147 HydrophobicContact CG2-CG 4.26Å; T143-L147 WeakPolarHBondContact O-CB 3.26Å; T143-L147 WeakPolarHBondContact O-CG 3.47Å; T143-L147 PolarHBondContact O-N 3.15Å
148F87.4Confident86.8Confident52 Ų5252.4 Ų52.423%0.22828%0.277CS..THydrogen-bonded Turntrans-117.827.8-175.2-60.1-88.3000113.2F84 V144 E150 Y151 P240F84-F148 HydrophobicContact CE1-CE2 4.03Å; F84-F148 HydrophobicContact CZ-CE2 4.18Å; V144-F148 WeakPolarHBondContact O-CB 3.45Å; V144-F148 PolarHBondContact O-N 2.72Å; F148-E150 PolarHBondContact O-N 2.9Å; F148-E150 VanDerWaalsContact O-N 3.12Å; F148-Y151 HydrophobicContact CB-CD2 4.44Å; F148-Y151 HydrophobicContact CD1-CD2 4.13Å; F148-Y151 PolarHBondContact O-N 3.21Å; F148-P240 VanDerWaalsContact CD2-CD 3.45Å; F148-P240 HydrophobicContact CD2-CG 3.75Å; F148-P240 VanDerWaalsContact CE2-CD 3.46Å; F148-P240 HydrophobicContact CE2-CG 3.49Å; F148-P240 VanDerWaalsContact CE2-CG 3.49Å; F148-P240 HydrophobicContact CG-CG 4.37Å; F148-P240 HydrophobicContact CZ-CG 3.92Å
149S81.6Confident86Confident61 Ų6149.9 Ų49.943%0.42727%0.267SS..THydrogen-bonded Turntrans-57.5-25.9-179.657.90000114.5H145 Y151 K170H145-S149 WeakPolarHBondContact O-CA 3.49Å; H145-S149 VanDerWaalsContact O-CB 3.31Å; H145-S149 WeakPolarHBondContact O-CB 3.33Å; H145-S149 PolarHBondContact O-N 3.09Å; H145-S149 VanDerWaalsContact O-N 3.17Å; S149-Y151 VanDerWaalsContact C-N 3.31Å; S149-K170 PolarHBondContact O-NZ 3.22Å
150E82.1Confident84.7Confident168 Ų16848.1 Ų48.179%0.78525%0.254SS*.THydrogen-bonded Turntrans-70.4-28.3176.3-63.9-172.9177.300112.8F148F148-E150 PolarHBondContact O-N 2.9Å; F148-E150 VanDerWaalsContact O-N 3.12Å
151Y83.3Confident83.1Confident94 Ų9452.2 Ų52.237%0.36928%0.283SS..SBendtrans-95.2-170.1-178.2-66-75.3000111.6F148 S149 P153 D237 F238F148-Y151 HydrophobicContact CB-CD2 4.44Å; F148-Y151 HydrophobicContact CD1-CD2 4.13Å; F148-Y151 PolarHBondContact O-N 3.21Å; S149-Y151 VanDerWaalsContact C-N 3.31Å; Y151-P153 WeakPolarHBondContact O-CD 3.36Å; Y151-D237 WeakPolarHBondContact CB-OD2 3.44Å; Y151-D237 WeakPolarHBondContact CD1-OD1 3.24Å; Y151-F238 HydrophobicContact CD1-CB 4.22Å; Y151-F238 HydrophobicContact CE1-CB 3.85Å; Y151-F238 HydrophobicContact CE1-CD2 4.14Å; Y151-F238 HydrophobicContact CE1-CG 4.41Å
152T81.9Confident81.3Confident55 Ų5557.2 Ų57.234%0.33731%0.306SS..  trans-117.467.7176.754.60000111.3K170 D237T152-K170 HydrophobicContact CG2-CB 4.06Å; T152-K170 HydrophobicContact CG2-CD 4.26Å; T152-D237 PolarHBondContact N-OD2 2.85Å; T152-D237 VanDerWaalsContact N-OD2 3.14Å; T152-D237 PolarHBondContact OG1-OD2 3.17Å
153P85.5Confident79.7Confident3 Ų357 Ų572%0.01930%0.304CS..  trans-62.3140.2174.625.7-32.5000110.4V144 Y151 S239V144-P153 HydrophobicContact CG1-CB 3.54Å; V144-P153 HydrophobicContact CG1-CG 4.14Å; Y151-P153 WeakPolarHBondContact O-CD 3.36Å; P153-S239 WeakPolarHBondContact CA-OG 3.36Å
154V86.6Confident78Confident5 Ų562.2 Ų62.23%0.0332%0.319CS..  trans-95.7110.7170.9-175.70000108.1A171 F175 L234 D241 L242 Y243V154-A171 HydrophobicContact CG2-CB 3.9Å; V154-F175 HydrophobicContact CG1-CE2 3.75Å; V154-F175 HydrophobicContact CG1-CZ 3.97Å; V154-F175 HydrophobicContact CG2-CE2 4.46Å; V154-L234 HydrophobicContact CG2-CB 4.14Å; V154-L234 HydrophobicContact CG2-CD1 4.34Å; V154-L234 HydrophobicContact CG2-CD2 4.49Å; V154-D241 HydrophobicContact CB-CB 4.2Å; V154-D241 PolarHBondContact N-OD1 3.12Å; V154-D241 CarbonylContact O-C 3.19Å; V154-D241 WeakPolarHBondContact O-CA 3.3Å; V154-L242 PolarHBondContact O-N 3.15Å; V154-Y243 HydrophobicContact CG1-CE1 3.99Å
155V88Confident76.5Confident5 Ų563.5 Ų63.53%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-112.2113.2168.6-176.40000108.7A141 V144 Q157 M167 L168 L242A141-V155 HydrophobicContact CB-CG1 3.71Å; V144-V155 HydrophobicContact CG1-CG2 4.16Å; V155-Q157 HydrophobicContact CG1-CG 4.42Å; V155-M167 WeakPolarHBondContact O-CA 3.5Å; V155-L168 HydrophobicContact CB-CB 4.01Å; V155-L168 VanDerWaalsContact CB-O 3.3Å; V155-L168 WeakPolarHBondContact CB-O 3.48Å; V155-L168 HydrophobicContact CG1-CB 4.2Å; V155-L168 PolarHBondContact O-N 2.84Å; V155-L242 CarbonylContact C-O 3.51Å; V155-L242 VanDerWaalsContact CA-O 3.31Å; V155-L242 WeakPolarHBondContact CA-O 3.23Å; V155-L242 HydrophobicContact CG1-CB 4.29Å; V155-L242 HydrophobicContact CG1-CD2 4.23Å; V155-L242 HydrophobicContact CG2-CB 4.33Å
156L86.4Confident75.2Confident1 Ų163.2 Ų63.21%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-117.7115.7-179.6-170.470000109.4L165 M167 I224 L242 Y243 S244 L245L156-L165 HydrophobicContact CD1-CD1 3.58Å; L156-L165 HydrophobicContact CD1-CD2 3.74Å; L156-L165 HydrophobicContact CD1-CG 3.78Å; L156-L165 HydrophobicContact CG-CD1 4.09Å; L156-M167 HydrophobicContact CD1-CG 3.75Å; L156-M167 HydrophobicContact CD1-SD 3.77Å; L156-I224 HydrophobicContact CD2-CD1 3.66Å; L156-I224 HydrophobicContact CD2-CG1 3.95Å; L156-I224 HydrophobicContact CD2-CG2 4.34Å; L156-L242 PolarHBondContact N-O 3.36Å; L156-Y243 HydrophobicContact CB-CD1 3.67Å; L156-Y243 HydrophobicContact CB-CE1 4.08Å; L156-Y243 HydrophobicContact CD2-CD1 3.82Å; L156-Y243 HydrophobicContact CD2-CE1 4.19Å; L156-Y243 HydrophobicContact CG-CD1 4.37Å; L156-Y243 CarbonylContact O-C 3.57Å; L156-Y243 WeakPolarHBondContact O-CA 3.28Å; L156-S244 PolarHBondContact O-N 3.08Å; L156-L245 HydrophobicContact CD2-CD2 4.22Å
157Q84.9Confident74Confident17 Ų1761.8 Ų61.88%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-118.6121.2173.9-63.8179-36.800109.6D138 V155 Y166 S244D138-Q157 PolarHBondContact OD1-NE2 2.85Å; D138-Q157 PolarHBondContact OD1-OE1 2.98Å; V155-Q157 HydrophobicContact CG1-CG 4.42Å; Q157-Y166 PolarHBondContact N-O 2.94Å; Q157-Y166 PolarHBondContact O-N 3.14Å; Q157-S244 CarbonylContact C-O 3.54Å; Q157-S244 VanDerWaalsContact CA-O 3.26Å; Q157-S244 WeakPolarHBondContact CA-O 3.28Å
158L80Confident72.5Confident29 Ų2960.1 Ų60.115%0.15230%0.299CS..EExtended strand (participates in β ladder)trans-112.1115.1174.2-177.473.5000108.4L165 V220 S244 L245 E246L158-L165 HydrophobicContact CB-CD1 4.05Å; L158-L165 HydrophobicContact CD1-CD1 3.75Å; L158-V220 HydrophobicContact CD2-CG1 3.99Å; L158-S244 PolarHBondContact N-O 3.15Å; L158-L245 HydrophobicContact CB-CD2 3.72Å; L158-L245 HydrophobicContact CD2-CD2 4.42Å; L158-E246 WeakPolarHBondContact O-CB 3.22Å; L158-E246 PolarHBondContact O-N 3.44Å
159A71.8Confident71.1Confident20 Ų2058.7 Ų58.717%0.16530%0.298CS..EExtended strand (participates in β ladder)trans-123.8106.2176.300000109.5S161 E162A159-S161 PolarHBondContact O-N 2.95Å; A159-E162 PolarHBondContact O-N 3.1Å
160P61.2Low70.1Confident32 Ų3262.2 Ų62.221%0.20831%0.306CS..G310 helixtrans-59.6-31-178.4-25.634000113.6E162 E163 E246 S248P160-E162 PolarHBondContact O-N 3.45Å; P160-E162 VanDerWaalsContact O-N 3.17Å; P160-E163 PolarHBondContact O-N 3.09Å; P160-E246 WeakPolarHBondContact CD-O 3.43Å; P160-E246 WeakPolarHBondContact CG-O 3.33Å; P160-S248 VanDerWaalsContact CB-OG 3.25Å; P160-S248 WeakPolarHBondContact CB-OG 3.38Å
161S57.3Low69Low89 Ų8954.6 Ų54.662%0.62227%0.272SS*.G310 helixtrans-62-22.6179.355.40000114A159A159-S161 PolarHBondContact O-N 2.95Å
162E53.3Low67.9Low105 Ų10553 Ų5349%0.49127%0.27SS..G310 helixtrans-107.60.7-178.4-58.7-166-178.700112.8A159 P160 R164 Y166A159-E162 PolarHBondContact O-N 3.1Å; P160-E162 PolarHBondContact O-N 3.45Å; P160-E162 VanDerWaalsContact O-N 3.17Å; E162-R164 VanDerWaalsContact O-CG 3.23Å; E162-R164 WeakPolarHBondContact O-CG 3.34Å; E162-R164 PolarHBondContact O-N 2.75Å; E162-Y166 HydrophobicContact CB-CE2 4.12Å; E162-Y166 WeakPolarHBondContact OE2-CE2 3.37Å; E162-Y166 PolarHBondContact OE2-OH 3.21Å
163E55.4Low67Low140 Ų14053.7 Ų53.765%0.65428%0.281SS*.THydrogen-bonded Turntrans48.328.1-175.3-61.9-173.1165.400113.8P160P160-E163 PolarHBondContact O-N 3.09Å
164R54.4Low65.9Low157 Ų15755 Ų5559%0.59229%0.289SS*.EExtended strand (participates in β ladder)trans-139.3134.6-171.9-69.7176.196.9178.34.8111.5E162 Y166E162-R164 VanDerWaalsContact O-CG 3.23Å; E162-R164 WeakPolarHBondContact O-CG 3.34Å; E162-R164 PolarHBondContact O-N 2.75Å; R164-Y166 HydrophobicContact CB-CD2 4.49Å; R164-Y166 HydrophobicContact CB-CE2 3.94Å
165L58.6Low64.9Low27 Ų2754.9 Ų54.914%0.14129%0.288CS..EExtended strand (participates in β ladder)trans-82.6114.2166.2-171.479.7000107.6L156 L158 M167 L178 V180L156-L165 HydrophobicContact CD1-CD1 3.58Å; L156-L165 HydrophobicContact CD1-CD2 3.74Å; L156-L165 HydrophobicContact CD1-CG 3.78Å; L156-L165 HydrophobicContact CG-CD1 4.09Å; L158-L165 HydrophobicContact CB-CD1 4.05Å; L158-L165 HydrophobicContact CD1-CD1 3.75Å; L165-M167 HydrophobicContact CD2-CE 4.29Å; L165-M167 HydrophobicContact CD2-CG 3.9Å; L165-M167 HydrophobicContact CD2-SD 3.8Å; L165-M167 HydrophobicContact CG-CG 4.04Å; L165-L178 HydrophobicContact CD2-CB 4.47Å; L165-L178 HydrophobicContact CD2-CD1 4.2Å; L165-V180 HydrophobicContact CB-CG1 3.76Å; L165-V180 HydrophobicContact CB-CG2 4.06Å; L165-V180 HydrophobicContact CD2-CG2 4.46Å; L165-V180 VanDerWaalsContact N-CG1 3.28Å
166Y60Low63.7Low83 Ų8361.3 Ų61.333%0.32532%0.318SS..EExtended strand (participates in β ladder)trans-90.5120.5172.5-68.7-82.8000108.8Q157 E162 R164Q157-Y166 PolarHBondContact N-O 2.94Å; Q157-Y166 PolarHBondContact O-N 3.14Å; E162-Y166 HydrophobicContact CB-CE2 4.12Å; E162-Y166 WeakPolarHBondContact OE2-CE2 3.37Å; E162-Y166 PolarHBondContact OE2-OH 3.21Å; R164-Y166 HydrophobicContact CB-CD2 4.49Å; R164-Y166 HydrophobicContact CB-CE2 3.94Å
167M65.5Low62.6Low44 Ų4468.4 Ų68.422%0.21736%0.356CS..EExtended strand (participates in β ladder)trans-119.5125.4174.9-62.7-161.7-67.200109.8V155 L156 L165 N172 F175V155-M167 WeakPolarHBondContact O-CA 3.5Å; L156-M167 HydrophobicContact CD1-CG 3.75Å; L156-M167 HydrophobicContact CD1-SD 3.77Å; L165-M167 HydrophobicContact CD2-CE 4.29Å; L165-M167 HydrophobicContact CD2-CG 3.9Å; L165-M167 HydrophobicContact CD2-SD 3.8Å; L165-M167 HydrophobicContact CG-CG 4.04Å; M167-N172 WeakPolarHBondContact CB-OD1 3.18Å; M167-N172 HydrophobicContact CE-CB 4.28Å; M167-N172 WeakPolarHBondContact CE-O 3.32Å; M167-F175 HydrophobicContact CE-CB 3.68Å; M167-F175 HydrophobicContact SD-CB 3.26Å; M167-F175 WeakPolarHBondContact SD-CB 3.47Å; M167-F175 HydrophobicContact SD-CD2 4.35Å; M167-F175 HydrophobicContact SD-CG 4Å
168L56.9Low61.8Low76 Ų7668.1 Ų68.140%0.39836%0.355SS..EExtended strand (participates in β ladder)trans-116.4107.8180-77.6151.2000107.8A141 V155A141-L168 HydrophobicContact CB-CD1 4.14Å; V155-L168 HydrophobicContact CB-CB 4.01Å; V155-L168 VanDerWaalsContact CB-O 3.3Å; V155-L168 WeakPolarHBondContact CB-O 3.48Å; V155-L168 HydrophobicContact CG1-CB 4.2Å; V155-L168 PolarHBondContact O-N 2.84Å
169G59.2Low61.1Low21 Ų2167.4 Ų67.422%0.21635%0.352CS..SBendtrans145.3-175.4174.700000115A171 N172G169-A171 VanDerWaalsContact C-N 3.32Å; G169-N172 VanDerWaalsContact O-CG 3.23Å; G169-N172 PolarHBondContact O-ND2 2.82Å; G169-N172 PolarHBondContact O-OD1 3.19Å; G169-N172 VanDerWaalsContact O-OD1 3.08Å
170K59.3Low60.6Low135 Ų13569 Ų6959%0.58736%0.359SS*.THydrogen-bonded Turntrans-81.9-9.6-179.2-67.4175.2-176.51590113.2S149 T152 N172S149-K170 PolarHBondContact O-NZ 3.22Å; T152-K170 HydrophobicContact CG2-CB 4.06Å; T152-K170 HydrophobicContact CG2-CD 4.26Å; K170-N172 VanDerWaalsContact C-N 3.29Å; K170-N172 PolarHBondContact O-N 2.87Å
171A59.1Low60.7Low9 Ų970.2 Ų70.27%0.07437%0.366CS..THydrogen-bonded Turntrans-84.32.7-178.300000114.1V154 G169 A173 V174 L234V154-A171 HydrophobicContact CG2-CB 3.9Å; G169-A171 VanDerWaalsContact C-N 3.32Å; A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 3.49Å; A171-A173 VanDerWaalsContact O-N 3.14Å; A171-V174 PolarHBondContact O-N 3.19Å; A171-L234 HydrophobicContact CB-CD2 4.38Å
172N61.4Low60.9Low60 Ų6068.9 Ų68.932%0.32135%0.352SS..Hα-helixtrans-51.2-42.4-173.9-701.7000113.3M167 G169 K170 V174 F175 E176M167-N172 WeakPolarHBondContact CB-OD1 3.18Å; M167-N172 HydrophobicContact CE-CB 4.28Å; M167-N172 WeakPolarHBondContact CE-O 3.32Å; G169-N172 VanDerWaalsContact O-CG 3.23Å; G169-N172 PolarHBondContact O-ND2 2.82Å; G169-N172 PolarHBondContact O-OD1 3.19Å; G169-N172 VanDerWaalsContact O-OD1 3.08Å; K170-N172 VanDerWaalsContact C-N 3.29Å; K170-N172 PolarHBondContact O-N 2.87Å; N172-V174 PolarHBondContact O-N 3.02Å; N172-V174 VanDerWaalsContact O-N 3.13Å; N172-F175 PolarHBondContact O-N 2.94Å; N172-F175 VanDerWaalsContact O-N 3.1Å; N172-E176 PolarHBondContact O-N 2.94Å; N172-E176 VanDerWaalsContact O-N 3.16Å
173A62Low61.4Low69 Ų6971.7 Ų71.757%0.5737%0.365SS*.Hα-helixtrans-61.4-24.1-177.500000114.5A171 F175A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 3.49Å; A171-A173 VanDerWaalsContact O-N 3.14Å; A173-F175 VanDerWaalsContact C-N 3.35Å
174V62.3Low62Low31 Ų3169.8 Ų69.819%0.18836%0.356CS..Hα-helixtrans-78.1-26.6-179-172.30000111.4A171 N172 L227 H231 L234A171-V174 PolarHBondContact O-N 3.19Å; N172-V174 PolarHBondContact O-N 3.02Å; N172-V174 VanDerWaalsContact O-N 3.13Å; V174-L227 HydrophobicContact CG1-CD2 3.65Å; V174-L227 HydrophobicContact CG1-CG 4.35Å; V174-L227 VanDerWaalsContact O-CD1 3.31Å; V174-L227 WeakPolarHBondContact O-CD1 3.25Å; V174-H231 HydrophobicContact CG1-CB 3.99Å; V174-H231 WeakPolarHBondContact CG1-CD2 3.44Å; V174-L234 HydrophobicContact CB-CD1 4.34Å; V174-L234 HydrophobicContact CG1-CD1 4.07Å; V174-L234 HydrophobicContact CG2-CD1 4.3Å
175F64.9Low62.7Low2 Ų263 Ų631%0.00933%0.331CS..Hα-helixtrans-110.64.7-173.8-66.2-87.8000113V154 M167 N172 A173 D177 L178 L227 L228 L234V154-F175 HydrophobicContact CG1-CE2 3.75Å; V154-F175 HydrophobicContact CG1-CZ 3.97Å; V154-F175 HydrophobicContact CG2-CE2 4.46Å; M167-F175 HydrophobicContact CE-CB 3.68Å; M167-F175 HydrophobicContact SD-CB 3.26Å; M167-F175 WeakPolarHBondContact SD-CB 3.47Å; M167-F175 HydrophobicContact SD-CD2 4.35Å; M167-F175 HydrophobicContact SD-CG 4Å; N172-F175 PolarHBondContact O-N 2.94Å; N172-F175 VanDerWaalsContact O-N 3.1Å; A173-F175 VanDerWaalsContact C-N 3.35Å; F175-D177 PolarHBondContact O-N 2.82Å; F175-L178 HydrophobicContact CB-CD1 4.29Å; F175-L178 HydrophobicContact CD1-CD1 3.7Å; F175-L178 HydrophobicContact CD1-CG 4.34Å; F175-L178 HydrophobicContact CG-CD1 4.48Å; F175-L178 WeakPolarHBondContact O-CB 3.12Å; F175-L178 PolarHBondContact O-N 3.06Å; F175-L178 VanDerWaalsContact O-N 3.1Å; F175-L227 HydrophobicContact CB-CD1 4.46Å; F175-L227 HydrophobicContact CD1-CD1 3.42Å; F175-L227 VanDerWaalsContact CD1-CD1 3.42Å; F175-L227 HydrophobicContact CD1-CD2 3.62Å; F175-L227 HydrophobicContact CD1-CG 4.13Å; F175-L227 HydrophobicContact CD2-CD2 4.41Å; F175-L227 HydrophobicContact CE1-CD1 3.88Å; F175-L227 HydrophobicContact CE1-CD2 3.23Å; F175-L227 HydrophobicContact CE1-CG 4.1Å; F175-L227 HydrophobicContact CE2-CD2 4.07Å; F175-L227 HydrophobicContact CG-CD1 4.05Å; F175-L227 HydrophobicContact CG-CD2 4.21Å; F175-L227 HydrophobicContact CZ-CD2 3.47Å; F175-L227 VanDerWaalsContact CZ-CD2 3.47Å; F175-L228 HydrophobicContact CE1-CD2 4.38Å; F175-L228 HydrophobicContact CE1-CG 4.48Å; F175-L228 HydrophobicContact CZ-CD2 3.72Å; F175-L228 HydrophobicContact CZ-CG 4.29Å; F175-L234 HydrophobicContact CE2-CD1 3.99Å; F175-L234 HydrophobicContact CZ-CD1 4.42Å
176E63.8Low63.1Low140 Ų14067 Ų6765%0.65434%0.344SS*.THydrogen-bonded Turntrans-57.6-30170.6-80.5176.2-162.800112.5N172 L178N172-E176 PolarHBondContact O-N 2.94Å; N172-E176 VanDerWaalsContact O-N 3.16Å; E176-L178 VanDerWaalsContact C-N 3.25Å; E176-L178 PolarHBondContact O-N 2.82Å
177D63.8Low63.7Low151 Ų15165.2 Ų65.281%0.80735%0.347SS*.THydrogen-bonded Turntrans-77.1-7.4179.1-69.6-26.4000113.5F175F175-D177 PolarHBondContact O-N 2.82Å
178L67.9Low64.1Low11 Ų1165.5 Ų65.56%0.05835%0.346CS..SBendtrans-69.2129.9175.1-75.6-179.2000109.5L165 F175 E176 V180 D223 I224 L227L165-L178 HydrophobicContact CD2-CB 4.47Å; L165-L178 HydrophobicContact CD2-CD1 4.2Å; F175-L178 HydrophobicContact CB-CD1 4.29Å; F175-L178 HydrophobicContact CD1-CD1 3.7Å; F175-L178 HydrophobicContact CD1-CG 4.34Å; F175-L178 HydrophobicContact CG-CD1 4.48Å; F175-L178 WeakPolarHBondContact O-CB 3.12Å; F175-L178 PolarHBondContact O-N 3.06Å; F175-L178 VanDerWaalsContact O-N 3.1Å; E176-L178 VanDerWaalsContact C-N 3.25Å; E176-L178 PolarHBondContact O-N 2.82Å; L178-V180 VanDerWaalsContact O-CG2 3.26Å; L178-V180 WeakPolarHBondContact O-CG2 3.48Å; L178-V180 PolarHBondContact O-N 2.87Å; L178-V180 VanDerWaalsContact O-N 3.11Å; L178-D223 HydrophobicContact CD2-CB 3.84Å; L178-I224 HydrophobicContact CD1-CG1 3.97Å; L178-L227 HydrophobicContact CD2-CD1 4.19Å; L178-L227 HydrophobicContact CG-CD1 4.05Å
179P64.3Low64.9Low14 Ų1462.4 Ų62.49%0.09133%0.329CS..  trans-68.4114177.229.6-34.8000109.3Q184 I185 R188P179-Q184 HydrophobicContact CB-CB 3.64Å; P179-I185 HydrophobicContact CB-CB 4.36Å; P179-I185 HydrophobicContact CB-CG1 3.63Å; P179-I185 HydrophobicContact CG-CG1 3.84Å; P179-I185 WeakPolarHBondContact O-CG1 3.39Å; P179-R188 HydrophobicContact CB-CB 4.46Å; P179-R188 HydrophobicContact CG-CB 4.13Å; P179-R188 HydrophobicContact CG-CG 4.15Å
180V62.9Low65.5Low52 Ų5266.2 Ų66.232%0.31535%0.353SS..  trans-94.9-26-174.5-171.70000111.8L165 L178L165-V180 HydrophobicContact CB-CG1 3.76Å; L165-V180 HydrophobicContact CB-CG2 4.06Å; L165-V180 HydrophobicContact CD2-CG2 4.46Å; L165-V180 VanDerWaalsContact N-CG1 3.28Å; L178-V180 VanDerWaalsContact O-CG2 3.26Å; L178-V180 WeakPolarHBondContact O-CG2 3.48Å; L178-V180 PolarHBondContact O-N 2.87Å; L178-V180 VanDerWaalsContact O-N 3.11Å
181T62Low66.2Low58 Ų5864.8 Ų64.836%0.35635%0.348SS..SBendtrans-103.2149.5-178.660.70000111.7Q183 Q184 I185T181-Q183 PolarHBondContact O-N 2.83Å; T181-Q184 PolarHBondContact O-N 2.72Å; T181-Q184 WeakPolarHBondContact OG1-CB 3.49Å; T181-Q184 VanDerWaalsContact OG1-CD 3.31Å; T181-Q184 VanDerWaalsContact OG1-CG 3.23Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.27Å; T181-Q184 PolarHBondContact OG1-N 2.79Å; T181-Q184 PolarHBondContact OG1-OE1 3.25Å; T181-Q184 VanDerWaalsContact OG1-OE1 3.14Å; T181-I185 WeakPolarHBondContact O-CG1 3.39Å; T181-I185 PolarHBondContact O-N 3.22Å
182L61.5Low66.2Low61 Ų6172 Ų7232%0.31939%0.385SS..Hα-helixtrans-50.3-34.8173.3-77.9171.6000112.8I185 R186 L213L182-I185 PolarHBondContact O-N 3.09Å; L182-R186 WeakPolarHBondContact O-CB 3.21Å; L182-R186 WeakPolarHBondContact O-CG 3.46Å; L182-R186 PolarHBondContact O-N 3.08Å; L182-L213 HydrophobicContact CD2-CD1 3.86Å
183Q63.9Low66.3Low164 Ų16471.3 Ų71.377%0.76639%0.393SS*.Hα-helixtrans-69.9-43.6178.4-169.7174-5.600112.6T181 I185 R186 A187T181-Q183 PolarHBondContact O-N 2.83Å; Q183-I185 VanDerWaalsContact C-N 3.33Å; Q183-R186 PolarHBondContact O-N 3.46Å; Q183-A187 PolarHBondContact O-N 3.34Å; Q183-A187 VanDerWaalsContact O-N 3.16Å
184Q69.1Low66.8Low101 Ų10168.3 Ų68.347%0.47237%0.367SS..Hα-helixtrans-65.6-37.6174.2-72.4167-25.200111.2P179 T181 A187 R188P179-Q184 HydrophobicContact CB-CB 3.64Å; T181-Q184 PolarHBondContact O-N 2.72Å; T181-Q184 WeakPolarHBondContact OG1-CB 3.49Å; T181-Q184 VanDerWaalsContact OG1-CD 3.31Å; T181-Q184 VanDerWaalsContact OG1-CG 3.23Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.27Å; T181-Q184 PolarHBondContact OG1-N 2.79Å; T181-Q184 PolarHBondContact OG1-OE1 3.25Å; T181-Q184 VanDerWaalsContact OG1-OE1 3.14Å; Q184-A187 WeakPolarHBondContact O-CB 3.22Å; Q184-A187 PolarHBondContact O-N 3.42Å; Q184-R188 WeakPolarHBondContact O-CB 3.4Å; Q184-R188 PolarHBondContact O-N 3.23Å
185I67.4Low67.3Low13 Ų1367.3 Ų67.37%0.06736%0.361CS..Hα-helixtrans-71.9-36.9179.1-52.4163.6000111.1P179 T181 L182 Q183 A187 R188 L189 V220P179-I185 HydrophobicContact CB-CB 4.36Å; P179-I185 HydrophobicContact CB-CG1 3.63Å; P179-I185 HydrophobicContact CG-CG1 3.84Å; P179-I185 WeakPolarHBondContact O-CG1 3.39Å; T181-I185 WeakPolarHBondContact O-CG1 3.39Å; T181-I185 PolarHBondContact O-N 3.22Å; L182-I185 PolarHBondContact O-N 3.09Å; Q183-I185 VanDerWaalsContact C-N 3.33Å; I185-A187 VanDerWaalsContact C-N 3.29Å; I185-A187 PolarHBondContact O-N 2.98Å; I185-R188 CarbonylContact O-C 3.56Å; I185-R188 WeakPolarHBondContact O-CB 3.34Å; I185-R188 PolarHBondContact O-N 2.75Å; I185-R188 VanDerWaalsContact O-N 3.08Å; I185-L189 HydrophobicContact CG2-CD1 4.31Å; I185-L189 HydrophobicContact CG2-CG 4.15Å; I185-L189 WeakPolarHBondContact O-CB 3.48Å; I185-L189 VanDerWaalsContact O-CG 3.3Å; I185-L189 WeakPolarHBondContact O-CG 3.25Å; I185-L189 PolarHBondContact O-N 2.91Å; I185-V220 HydrophobicContact CD1-CG2 4.19Å
186R67.4Low67.5Low112 Ų11268.2 Ų68.242%0.42337%0.366SS..Hα-helixtrans-57.6-43.6170.6-80179.9-172.5163.27.3111.6L182 Q183 L189 S190 E209L182-R186 WeakPolarHBondContact O-CB 3.21Å; L182-R186 WeakPolarHBondContact O-CG 3.46Å; L182-R186 PolarHBondContact O-N 3.08Å; Q183-R186 PolarHBondContact O-N 3.46Å; R186-L189 PolarHBondContact O-N 3.49Å; R186-S190 PolarHBondContact O-N 3.14Å; R186-E209 IonicContact NH2-OE1 3.15Å; R186-E209 PolarHBondContact NH2-OE1 3.25Å
187A73Confident67.5Low45 Ų4567.5 Ų67.537%0.37237%0.371SS..Hα-helixtrans-62.6-43.4173.800000111.1Q183 Q184 I185 L189 S190 Q191Q183-A187 PolarHBondContact O-N 3.34Å; Q183-A187 VanDerWaalsContact O-N 3.16Å; Q184-A187 WeakPolarHBondContact O-CB 3.22Å; Q184-A187 PolarHBondContact O-N 3.42Å; I185-A187 VanDerWaalsContact C-N 3.29Å; I185-A187 PolarHBondContact O-N 2.98Å; A187-L189 PolarHBondContact O-N 2.96Å; A187-S190 PolarHBondContact O-N 3.36Å; A187-S190 VanDerWaalsContact O-N 3.16Å; A187-S190 PolarHBondContact O-OG 3.03Å; A187-Q191 WeakPolarHBondContact O-CG 3.44Å; A187-Q191 PolarHBondContact O-N 3.19Å
188R74.2Confident67.8Low51 Ų5164.6 Ų64.619%0.19236%0.363CS..Hα-helixtrans-63.5-39.7178.2-172.668.3-172.4109.110.9113.3P179 Q184 I185 S190 Q191 D192 Q219 D223P179-R188 HydrophobicContact CB-CB 4.46Å; P179-R188 HydrophobicContact CG-CB 4.13Å; P179-R188 HydrophobicContact CG-CG 4.15Å; Q184-R188 WeakPolarHBondContact O-CB 3.4Å; Q184-R188 PolarHBondContact O-N 3.23Å; I185-R188 CarbonylContact O-C 3.56Å; I185-R188 WeakPolarHBondContact O-CB 3.34Å; I185-R188 PolarHBondContact O-N 2.75Å; I185-R188 VanDerWaalsContact O-N 3.08Å; R188-S190 PolarHBondContact O-N 3.31Å; R188-Q191 WeakPolarHBondContact O-CB 3.38Å; R188-Q191 PolarHBondContact O-N 3.33Å; R188-Q191 VanDerWaalsContact O-N 3.12Å; R188-D192 PolarHBondContact NH1-O 3.3Å; R188-Q219 HydrophobicContact CG-CG 4.28Å; R188-D223 IonicContact CZ-OD1 3.05Å; R188-D223 IonicContact NE-OD1 3.21Å; R188-D223 IonicContact NE-OD2 3.78Å; R188-D223 PolarHBondContact NE-OD2 2.62Å; R188-D223 IonicContact NH2-OD1 3.59Å; R188-D223 PolarHBondContact NH2-OD1 2.73Å
189L73.1Confident68Low11 Ų1165.2 Ų65.26%0.05837%0.366CS..Hα-helixtrans-63.3-25.3176-72.9172.4000112.4I185 R186 A187 S194 L196 L212 Q219I185-L189 HydrophobicContact CG2-CD1 4.31Å; I185-L189 HydrophobicContact CG2-CG 4.15Å; I185-L189 WeakPolarHBondContact O-CB 3.48Å; I185-L189 VanDerWaalsContact O-CG 3.3Å; I185-L189 WeakPolarHBondContact O-CG 3.25Å; I185-L189 PolarHBondContact O-N 2.91Å; R186-L189 PolarHBondContact O-N 3.49Å; A187-L189 PolarHBondContact O-N 2.96Å; L189-S194 VanDerWaalsContact O-CB 3.23Å; L189-S194 WeakPolarHBondContact O-CB 3.43Å; L189-S194 PolarHBondContact O-OG 3.16Å; L189-S194 VanDerWaalsContact O-OG 3.05Å; L189-L196 HydrophobicContact CB-CD1 4.11Å; L189-L196 HydrophobicContact CD2-CD1 4.46Å; L189-L196 HydrophobicContact CD2-CD2 4.45Å; L189-L196 HydrophobicContact CD2-CG 4.16Å; L189-L196 WeakPolarHBondContact O-CD1 3.33Å; L189-L212 HydrophobicContact CD1-CD2 4.2Å; L189-Q219 HydrophobicContact CD2-CB 3.85Å; L189-Q219 HydrophobicContact CD2-CG 4.09Å
190S71.6Confident68.3Low101 Ų10168.2 Ų68.271%0.70639%0.385SS*.THydrogen-bonded Turntrans-86.4-8.5176.571.70000114.5R186 A187 R188R186-S190 PolarHBondContact O-N 3.14Å; A187-S190 PolarHBondContact O-N 3.36Å; A187-S190 VanDerWaalsContact O-N 3.16Å; A187-S190 PolarHBondContact O-OG 3.03Å; R188-S190 PolarHBondContact O-N 3.31Å
191Q74.5Confident68.5Low104 Ų10467.7 Ų67.749%0.48638%0.381SS..SBendtrans-92.5166.4-177.7-70.7170.30.300112.7A187 R188 S194A187-Q191 WeakPolarHBondContact O-CG 3.44Å; A187-Q191 PolarHBondContact O-N 3.19Å; R188-Q191 WeakPolarHBondContact O-CB 3.38Å; R188-Q191 PolarHBondContact O-N 3.33Å; R188-Q191 VanDerWaalsContact O-N 3.12Å; Q191-S194 WeakPolarHBondContact O-CB 3.44Å; Q191-S194 PolarHBondContact O-N 2.99Å
192D59Low69Low161 Ų16171.5 Ų71.586%0.86140%0.399SS*.THydrogen-bonded Turntrans-61.2139.5174-64.3-40.4000111.6R188R188-D192 PolarHBondContact NH1-O 3.3Å
193G64.2Low69.8Low46 Ų4670 Ų7047%0.47439%0.393SS..THydrogen-bonded Turntrans8512.8-172.800000114.7
194S72.7Confident70.7Confident5 Ų562.7 Ų62.74%0.03536%0.36CS..  trans-68.8137.9172.7178.90000112.2L189 Q191 L196 T197L189-S194 VanDerWaalsContact O-CB 3.23Å; L189-S194 WeakPolarHBondContact O-CB 3.43Å; L189-S194 PolarHBondContact O-OG 3.16Å; L189-S194 VanDerWaalsContact O-OG 3.05Å; Q191-S194 WeakPolarHBondContact O-CB 3.44Å; Q191-S194 PolarHBondContact O-N 2.99Å; S194-L196 PolarHBondContact O-N 3.39Å; S194-L196 VanDerWaalsContact O-N 3.12Å; S194-L196 WeakPolarHBondContact OG-CB 3.44Å; S194-L196 VanDerWaalsContact OG-CG 3.31Å; S194-L196 WeakPolarHBondContact OG-CG 3.33Å; S194-L196 PolarHBondContact OG-N 2.87Å; S194-L196 VanDerWaalsContact OG-N 3.15Å; S194-T197 PolarHBondContact O-N 3.36Å; S194-T197 VanDerWaalsContact O-N 3.17Å; S194-T197 PolarHBondContact O-OG1 2.89Å
195V71.5Confident71.3Confident11 Ų1160 Ų607%0.06735%0.352CS..G310 helixtrans-60.1-18172.8177.20000112.2T197 S198 L199 V218 Q219 H222V195-T197 PolarHBondContact O-N 2.94Å; V195-T197 VanDerWaalsContact O-N 3.12Å; V195-S198 PolarHBondContact O-N 3.38Å; V195-S198 VanDerWaalsContact O-N 3.1Å; V195-S198 PolarHBondContact O-OG 2.8Å; V195-L199 HydrophobicContact CG1-CD1 3.3Å; V195-L199 HydrophobicContact CG1-CD2 4.25Å; V195-L199 HydrophobicContact CG1-CG 3.41Å; V195-L199 VanDerWaalsContact CG1-CG 3.41Å; V195-L199 PolarHBondContact O-N 2.78Å; V195-V218 HydrophobicContact CG1-CG1 3.92Å; V195-Q219 VanDerWaalsContact CG2-OE1 3.26Å; V195-H222 HydrophobicContact CG2-CB 3.57Å
196L69.6Low71.8Confident21 Ų2166 Ų6611%0.1137%0.374CS..G310 helixtrans-61-20174-62.2-177.6000114.4L189 S194 L201 L215L189-L196 HydrophobicContact CB-CD1 4.11Å; L189-L196 HydrophobicContact CD2-CD1 4.46Å; L189-L196 HydrophobicContact CD2-CD2 4.45Å; L189-L196 HydrophobicContact CD2-CG 4.16Å; L189-L196 WeakPolarHBondContact O-CD1 3.33Å; S194-L196 PolarHBondContact O-N 3.39Å; S194-L196 VanDerWaalsContact O-N 3.12Å; S194-L196 WeakPolarHBondContact OG-CB 3.44Å; S194-L196 VanDerWaalsContact OG-CG 3.31Å; S194-L196 WeakPolarHBondContact OG-CG 3.33Å; S194-L196 PolarHBondContact OG-N 2.87Å; S194-L196 VanDerWaalsContact OG-N 3.15Å; L196-L201 HydrophobicContact CB-CD1 4.15Å; L196-L201 HydrophobicContact CD2-CD1 3.84Å; L196-L201 HydrophobicContact CD2-CD2 4.29Å; L196-L215 HydrophobicContact CD2-CB 4.36Å; L196-L215 HydrophobicContact CD2-CD1 3.78Å; L196-L215 HydrophobicContact CD2-CD2 4.07Å; L196-L215 HydrophobicContact CD2-CG 4.28Å
197T64.6Low72.4Confident124 Ų12468.2 Ų68.276%0.76139%0.394SS*.G310 helixtrans-88.9-20.8177.757.40000113.2S194 V195S194-T197 PolarHBondContact O-N 3.36Å; S194-T197 VanDerWaalsContact O-N 3.17Å; S194-T197 PolarHBondContact O-OG1 2.89Å; V195-T197 PolarHBondContact O-N 2.94Å; V195-T197 VanDerWaalsContact O-N 3.12Å
198S68.6Low72.9Confident90 Ų9067 Ų6763%0.62938%0.383SS*.THydrogen-bonded Turntrans-105.2-19.7-175.459.50000113.6V195V195-S198 PolarHBondContact O-N 3.38Å; V195-S198 VanDerWaalsContact O-N 3.1Å; V195-S198 PolarHBondContact O-OG 2.8Å
199L73.6Confident73.4Confident25 Ų2570.7 Ų70.713%0.13140%0.402CS..SBendtrans-89143178.1-69.8179.8000113.2V195 L201 L215 V218 I270 V274V195-L199 HydrophobicContact CG1-CD1 3.3Å; V195-L199 HydrophobicContact CG1-CD2 4.25Å; V195-L199 HydrophobicContact CG1-CG 3.41Å; V195-L199 VanDerWaalsContact CG1-CG 3.41Å; V195-L199 PolarHBondContact O-N 2.78Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 3.37Å; L199-L215 HydrophobicContact CD1-CD2 4.28Å; L199-V218 HydrophobicContact CD1-CG1 4.12Å; L199-I270 HydrophobicContact CD1-CG2 3.91Å; L199-I270 HydrophobicContact CD2-CG2 3.71Å; L199-I270 HydrophobicContact CG-CG2 4.42Å; L199-V274 HydrophobicContact CD2-CG2 4.2Å
200P70.8Confident73.9Confident76 Ų7670.4 Ų70.449%0.49440%0.401SS..  trans-72.788.316931.1-32.9000109.9N202P200-N202 PolarHBondContact O-N 2.87Å
201L66.5Low74.7Confident41 Ų4165.6 Ų65.622%0.21537%0.368CS..  trans-77.166.8174-61.1170.2000110.1L196 L199 L204 L215L196-L201 HydrophobicContact CB-CD1 4.15Å; L196-L201 HydrophobicContact CD2-CD1 3.84Å; L196-L201 HydrophobicContact CD2-CD2 4.29Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 3.37Å; L201-L204 HydrophobicContact CD2-CB 4.39Å; L201-L215 HydrophobicContact CD2-CD1 4.24Å; L201-L215 HydrophobicContact CD2-CD2 3.66Å
202N72.7Confident75.2Confident139 Ų13961.9 Ų61.974%0.74335%0.351SS*.SBendtrans-76.1-53.1-179.1-69.6-19.2000111.4P200P200-N202 PolarHBondContact O-N 2.87Å
203S78.6Confident76.4Confident28 Ų2856 Ų5620%0.19632%0.319CS..SBendtrans-107.9-19.2-173.657.70000114.5Q263 D266S203-Q263 WeakPolarHBondContact O-CG 3.44Å; S203-D266 VanDerWaalsContact CB-OD2 3.27Å; S203-D266 WeakPolarHBondContact CB-OD2 3.34Å; S203-D266 WeakPolarHBondContact OG-CB 3.27Å; S203-D266 PolarHBondContact OG-OD2 2.56Å
204L82.1Confident77.6Confident12 Ų1253.9 Ų53.96%0.06330%0.297CS..  trans-81.2134.7-178.5-63.2174.4000111.4L201 F214 L215 L253 Q263 A267 I270L201-L204 HydrophobicContact CD2-CB 4.39Å; L204-F214 HydrophobicContact CD1-CD1 3.9Å; L204-F214 HydrophobicContact CD1-CE1 3.81Å; L204-L215 HydrophobicContact CD1-CD2 4.37Å; L204-L253 HydrophobicContact CD2-CD1 4.39Å; L204-Q263 HydrophobicContact CD2-CB 4.26Å; L204-A267 HydrophobicContact CD1-CB 4.45Å; L204-A267 HydrophobicContact CD2-CB 4.37Å; L204-I270 HydrophobicContact CD1-CD1 4.21Å
205S81.1Confident78.2Confident43 Ų4353.8 Ų53.830%0.30130%0.296SS..  trans-99.7148-178.977.40000112.2N207 S208 D211S205-N207 VanDerWaalsContact C-N 3.29Å; S205-S208 WeakPolarHBondContact OG-CB 3.28Å; S205-S208 PolarHBondContact OG-N 3.34Å; S205-D211 WeakPolarHBondContact CA-OD2 3.44Å; S205-D211 WeakPolarHBondContact CB-OD2 3.24Å; S205-D211 PolarHBondContact N-OD2 2.79Å; S205-D211 WeakPolarHBondContact O-CB 3.47Å; S205-D211 PolarHBondContact OG-OD2 2.85Å
206R78.6Confident78.8Confident140 Ų14053.5 Ų53.553%0.52830%0.295SS..SBendtrans-85-4175.7-61.8-179.2-176.4-176.9-1.1113.6L212R206-L212 WeakPolarHBondContact O-CD1 3.41Å; R206-L212 WeakPolarHBondContact O-CD2 3.28Å; R206-L212 WeakPolarHBondContact O-CG 3.37Å
207N78.9Confident79.6Confident158 Ų15853.1 Ų53.185%0.84529%0.292SS*.SBendtrans-105.5-20.4-173.8-62.9-17.7000112.4S205S205-N207 VanDerWaalsContact C-N 3.29Å
208S84.8Confident80.7Confident21 Ų2147.3 Ų47.315%0.14726%0.257CS..  trans-77.9134.1175.9-179.20000110.2S205 A210 D211 L212 L256 Y257S205-S208 WeakPolarHBondContact OG-CB 3.28Å; S205-S208 PolarHBondContact OG-N 3.34Å; S208-A210 VanDerWaalsContact C-N 3.34Å; S208-A210 PolarHBondContact O-N 3.38Å; S208-D211 WeakPolarHBondContact CB-OD2 3.21Å; S208-D211 PolarHBondContact O-N 2.76Å; S208-L212 WeakPolarHBondContact O-CB 3.46Å; S208-L212 VanDerWaalsContact O-CG 3.3Å; S208-L212 WeakPolarHBondContact O-CG 3.35Å; S208-L212 PolarHBondContact O-N 2.88Å; S208-L256 WeakPolarHBondContact OG-CD2 3.35Å; S208-Y257 WeakPolarHBondContact CB-OH 3.28Å; S208-Y257 PolarHBondContact OG-OH 2.9Å; S208-Y257 VanDerWaalsContact OG-OH 3.11Å
209E83.7Confident81.6Confident128 Ų12843 Ų4360%0.59823%0.227SC*.Hα-helixtrans-64.9-38.5178.8-177.8157.1-128.700112.2R186 L212 L213R186-E209 IonicContact NH2-OE1 3.15Å; R186-E209 PolarHBondContact NH2-OE1 3.25Å; E209-L212 PolarHBondContact O-N 3.26Å; E209-L213 PolarHBondContact O-N 2.84Å
210A85.2Confident82.1Confident5 Ų542.2 Ų42.24%0.04122%0.223CC..Hα-helixtrans-65.5-43.4177.200000112.2S208 L212 L213 F214 E252 L253 L256S208-A210 VanDerWaalsContact C-N 3.34Å; S208-A210 PolarHBondContact O-N 3.38Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L213 PolarHBondContact O-N 2.71Å; A210-F214 PolarHBondContact O-N 2.8Å; A210-F214 VanDerWaalsContact O-N 3.13Å; A210-E252 HydrophobicContact CB-CG 3.78Å; A210-L253 HydrophobicContact CB-CD2 3.99Å; A210-L256 HydrophobicContact CB-CB 4.44Å; A210-L256 HydrophobicContact CB-CD2 3.7Å
211D87.2Confident83Confident0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-64.5-41.2176.1-66.5-16.3000110.8S205 S208 F214 L215 L253 Y257S205-D211 WeakPolarHBondContact CA-OD2 3.44Å; S205-D211 WeakPolarHBondContact CB-OD2 3.24Å; S205-D211 PolarHBondContact N-OD2 2.79Å; S205-D211 WeakPolarHBondContact O-CB 3.47Å; S205-D211 PolarHBondContact OG-OD2 2.85Å; S208-D211 WeakPolarHBondContact CB-OD2 3.21Å; S208-D211 PolarHBondContact O-N 2.76Å; D211-F214 PolarHBondContact O-N 2.83Å; D211-L215 WeakPolarHBondContact O-CB 3.14Å; D211-L215 WeakPolarHBondContact O-CD1 3.27Å; D211-L215 WeakPolarHBondContact O-CG 3.23Å; D211-L215 PolarHBondContact O-N 2.89Å; D211-L253 WeakPolarHBondContact OD1-CD2 3.29Å; D211-Y257 WeakPolarHBondContact OD1-CE2 3.39Å; D211-Y257 PolarHBondContact OD2-OH 2.89Å
212L84.7Confident84.1Confident26 Ų2641 Ų4114%0.13621%0.209CC..Hα-helixtrans-64.2-39.4176.7-76.8175.7000112.3L189 R206 S208 E209 A210 L215 S216L189-L212 HydrophobicContact CD1-CD2 4.2Å; R206-L212 WeakPolarHBondContact O-CD1 3.41Å; R206-L212 WeakPolarHBondContact O-CD2 3.28Å; R206-L212 WeakPolarHBondContact O-CG 3.37Å; S208-L212 WeakPolarHBondContact O-CB 3.46Å; S208-L212 VanDerWaalsContact O-CG 3.3Å; S208-L212 WeakPolarHBondContact O-CG 3.35Å; S208-L212 PolarHBondContact O-N 2.88Å; E209-L212 PolarHBondContact O-N 3.26Å; A210-L212 VanDerWaalsContact C-N 3.34Å; L212-L215 PolarHBondContact O-N 3.44Å; L212-S216 WeakPolarHBondContact O-CB 3.23Å; L212-S216 PolarHBondContact O-N 2.75Å; L212-S216 PolarHBondContact O-OG 3.2Å
213L85Confident84.6Confident37 Ų3735 Ų3519%0.19418%0.178CC..Hα-helixtrans-59.9-50.1174.7176.666.3000110.5L182 E209 A210 L215 S216 E217 E252L182-L213 HydrophobicContact CD2-CD1 3.86Å; E209-L213 PolarHBondContact O-N 2.84Å; A210-L213 PolarHBondContact O-N 2.71Å; L213-L215 PolarHBondContact O-N 2.83Å; L213-S216 WeakPolarHBondContact CA-OG 3.36Å; L213-S216 WeakPolarHBondContact O-CB 3.36Å; L213-S216 PolarHBondContact O-N 3.4Å; L213-S216 VanDerWaalsContact O-N 3.13Å; L213-S216 PolarHBondContact O-OG 3.44Å; L213-E217 PolarHBondContact O-N 3.03Å; L213-E252 HydrophobicContact CD2-CB 4.24Å
214F88.6Confident85Confident1 Ų133.7 Ų33.70%0.00417%0.168CC..Hα-helixtrans-58.5-46.6176.6172.8-102.7000112.2L204 A210 D211 S216 E217 V218 L250 L253 A267 I270 L271L204-F214 HydrophobicContact CD1-CD1 3.9Å; L204-F214 HydrophobicContact CD1-CE1 3.81Å; A210-F214 PolarHBondContact O-N 2.8Å; A210-F214 VanDerWaalsContact O-N 3.13Å; D211-F214 PolarHBondContact O-N 2.83Å; F214-S216 VanDerWaalsContact C-N 3.26Å; F214-S216 PolarHBondContact O-N 3.47Å; F214-E217 PolarHBondContact O-N 2.78Å; F214-V218 HydrophobicContact CE1-CG2 4.14Å; F214-V218 HydrophobicContact CE2-CG2 4.12Å; F214-V218 HydrophobicContact CZ-CG2 3.89Å; F214-V218 WeakPolarHBondContact O-CG2 3.31Å; F214-V218 PolarHBondContact O-N 2.79Å; F214-V218 VanDerWaalsContact O-N 3.13Å; F214-L250 HydrophobicContact CD2-CD2 3.98Å; F214-L250 HydrophobicContact CD2-CG 4.31Å; F214-L250 HydrophobicContact CE2-CD2 3.73Å; F214-L250 HydrophobicContact CE2-CG 4.13Å; F214-L253 HydrophobicContact CB-CD1 3.68Å; F214-L253 HydrophobicContact CB-CG 4.33Å; F214-L253 HydrophobicContact CD1-CD1 4.18Å; F214-L253 HydrophobicContact CD2-CD1 4.13Å; F214-L253 HydrophobicContact CG-CD1 3.72Å; F214-A267 HydrophobicContact CD1-CB 4.27Å; F214-A267 HydrophobicContact CE1-CB 3.86Å; F214-A267 HydrophobicContact CE2-CB 4.18Å; F214-A267 HydrophobicContact CZ-CB 3.81Å; F214-A267 VanDerWaalsContact CZ-O 3.3Å; F214-A267 WeakPolarHBondContact CZ-O 3.23Å; F214-I270 HydrophobicContact CE1-CG2 4.34Å; F214-I270 HydrophobicContact CZ-CG2 4.26Å; F214-L271 HydrophobicContact CE2-CB 4.04Å; F214-L271 HydrophobicContact CE2-CD1 4.31Å; F214-L271 HydrophobicContact CE2-CD2 4.47Å; F214-L271 HydrophobicContact CE2-CG 4.5Å; F214-L271 HydrophobicContact CZ-CB 4.14Å
215L86.8Confident85.4Confident3 Ų333.5 Ų33.52%0.01617%0.167CC..Hα-helixtrans-65.1-32178.3-67.1166.7000112.2L196 L199 L201 L204 D211 L212 L213 Q219L196-L215 HydrophobicContact CD2-CB 4.36Å; L196-L215 HydrophobicContact CD2-CD1 3.78Å; L196-L215 HydrophobicContact CD2-CD2 4.07Å; L196-L215 HydrophobicContact CD2-CG 4.28Å; L199-L215 HydrophobicContact CD1-CD2 4.28Å; L201-L215 HydrophobicContact CD2-CD1 4.24Å; L201-L215 HydrophobicContact CD2-CD2 3.66Å; L204-L215 HydrophobicContact CD1-CD2 4.37Å; D211-L215 WeakPolarHBondContact O-CB 3.14Å; D211-L215 WeakPolarHBondContact O-CD1 3.27Å; D211-L215 WeakPolarHBondContact O-CG 3.23Å; D211-L215 PolarHBondContact O-N 2.89Å; L212-L215 PolarHBondContact O-N 3.44Å; L213-L215 PolarHBondContact O-N 2.83Å; L215-Q219 WeakPolarHBondContact O-CB 3.46Å; L215-Q219 PolarHBondContact O-N 3.15Å
216S82.8Confident85.7Confident6 Ų632.6 Ų32.64%0.04216%0.163CC..Hα-helixtrans-65.7-43.6175.979.50000111.7L212 L213 F214 V218 Q219 V220L212-S216 WeakPolarHBondContact O-CB 3.23Å; L212-S216 PolarHBondContact O-N 2.75Å; L212-S216 PolarHBondContact O-OG 3.2Å; L213-S216 WeakPolarHBondContact CA-OG 3.36Å; L213-S216 WeakPolarHBondContact O-CB 3.36Å; L213-S216 PolarHBondContact O-N 3.4Å; L213-S216 VanDerWaalsContact O-N 3.13Å; L213-S216 PolarHBondContact O-OG 3.44Å; F214-S216 VanDerWaalsContact C-N 3.26Å; F214-S216 PolarHBondContact O-N 3.47Å; S216-V218 PolarHBondContact O-N 2.9Å; S216-Q219 WeakPolarHBondContact O-CB 3.42Å; S216-Q219 PolarHBondContact O-N 3.38Å; S216-V220 WeakPolarHBondContact O-CG2 3.47Å; S216-V220 PolarHBondContact O-N 2.7Å
217E86.2Confident86Confident12 Ų1226.7 Ų26.76%0.05614%0.142CC..Hα-helixtrans-62.4-44.9176.7-76.3177.1173.800111.4L213 F214 Q219 V220 L221 L247 S248 G249L213-E217 PolarHBondContact O-N 3.03Å; F214-E217 PolarHBondContact O-N 2.78Å; E217-Q219 VanDerWaalsContact C-N 3.32Å; E217-Q219 PolarHBondContact O-N 3.49Å; E217-V220 PolarHBondContact O-N 3.47Å; E217-L221 PolarHBondContact O-N 2.84Å; E217-L221 VanDerWaalsContact O-N 3.16Å; E217-L247 HydrophobicContact CB-CD2 4.04Å; E217-L247 HydrophobicContact CG-CD2 4.2Å; E217-S248 PolarHBondContact OE1-N 3.01Å; E217-S248 PolarHBondContact OE1-OG 3.31Å; E217-S248 VanDerWaalsContact OE1-OG 3.04Å; E217-S248 PolarHBondContact OE2-N 3.5Å; E217-G249 VanDerWaalsContact CD-N 3.26Å; E217-G249 PolarHBondContact OE1-N 3.49Å; E217-G249 VanDerWaalsContact OE2-CA 3.32Å; E217-G249 WeakPolarHBondContact OE2-CA 3.46Å; E217-G249 PolarHBondContact OE2-N 2.89Å
218V89.1Confident86.4Confident2 Ų219.2 Ų19.21%0.01210%0.102CC..Hα-helixtrans-64.2-38176.8-179.20000111.5V195 L199 F214 S216 L221 H222 L271 V274V195-V218 HydrophobicContact CG1-CG1 3.92Å; L199-V218 HydrophobicContact CD1-CG1 4.12Å; F214-V218 HydrophobicContact CE1-CG2 4.14Å; F214-V218 HydrophobicContact CE2-CG2 4.12Å; F214-V218 HydrophobicContact CZ-CG2 3.89Å; F214-V218 WeakPolarHBondContact O-CG2 3.31Å; F214-V218 PolarHBondContact O-N 2.79Å; F214-V218 VanDerWaalsContact O-N 3.13Å; S216-V218 PolarHBondContact O-N 2.9Å; V218-L221 PolarHBondContact O-N 3.22Å; V218-H222 PolarHBondContact O-N 2.88Å; V218-L271 HydrophobicContact CG2-CD1 4.36Å; V218-V274 HydrophobicContact CG1-CB 4.37Å; V218-V274 HydrophobicContact CG1-CG1 4.01Å; V218-V274 HydrophobicContact CG1-CG2 3.88Å
219Q86.2Confident86.6Confident0 Ų022.4 Ų22.40%011%0.114CC..Hα-helixtrans-63.4-42174.3179.468.240.100111.7R188 L189 V195 L215 S216 E217 L221 H222 D223R188-Q219 HydrophobicContact CG-CG 4.28Å; L189-Q219 HydrophobicContact CD2-CB 3.85Å; L189-Q219 HydrophobicContact CD2-CG 4.09Å; V195-Q219 VanDerWaalsContact CG2-OE1 3.26Å; L215-Q219 WeakPolarHBondContact O-CB 3.46Å; L215-Q219 PolarHBondContact O-N 3.15Å; S216-Q219 WeakPolarHBondContact O-CB 3.42Å; S216-Q219 PolarHBondContact O-N 3.38Å; E217-Q219 VanDerWaalsContact C-N 3.32Å; E217-Q219 PolarHBondContact O-N 3.49Å; Q219-L221 VanDerWaalsContact C-N 3.34Å; Q219-L221 PolarHBondContact O-N 3.09Å; Q219-H222 WeakPolarHBondContact O-CB 3.38Å; Q219-H222 PolarHBondContact O-N 3.47Å; Q219-H222 VanDerWaalsContact O-N 3.12Å; Q219-D223 VanDerWaalsContact NE2-CG 3.31Å; Q219-D223 PolarHBondContact NE2-OD1 3.07Å; Q219-D223 VanDerWaalsContact NE2-OD1 3.11Å; Q219-D223 PolarHBondContact NE2-OD2 3Å; Q219-D223 PolarHBondContact O-N 3.32Å
220V85.4Confident86.8Confident9 Ų925.9 Ų25.96%0.05512%0.122CC..Hα-helixtrans-60.6-43.4178.2169.40000111L158 I185 S216 E217 H222 D223 I224L158-V220 HydrophobicContact CD2-CG1 3.99Å; I185-V220 HydrophobicContact CD1-CG2 4.19Å; S216-V220 WeakPolarHBondContact O-CG2 3.47Å; S216-V220 PolarHBondContact O-N 2.7Å; E217-V220 PolarHBondContact O-N 3.47Å; V220-H222 VanDerWaalsContact C-N 3.28Å; V220-H222 PolarHBondContact O-N 2.81Å; V220-D223 PolarHBondContact O-N 2.82Å; V220-I224 HydrophobicContact CG1-CD1 3.7Å; V220-I224 HydrophobicContact CG1-CG1 4.27Å; V220-I224 WeakPolarHBondContact O-CB 3.44Å; V220-I224 VanDerWaalsContact O-CG1 3.24Å; V220-I224 WeakPolarHBondContact O-CG1 3.45Å; V220-I224 PolarHBondContact O-N 3.45Å
221L89.2Confident86.7Confident2 Ų228.7 Ų28.71%0.0113%0.134CC..Hα-helixtrans-56.9-43.5174.3-64.7178.5000111.8E217 V218 Q219 T225 L245 L247 V274 L275 F278E217-L221 PolarHBondContact O-N 2.84Å; E217-L221 VanDerWaalsContact O-N 3.16Å; V218-L221 PolarHBondContact O-N 3.22Å; Q219-L221 VanDerWaalsContact C-N 3.34Å; Q219-L221 PolarHBondContact O-N 3.09Å; L221-T225 PolarHBondContact O-N 3.34Å; L221-T225 PolarHBondContact O-OG1 2.84Å; L221-L245 HydrophobicContact CD2-CD1 3.64Å; L221-L247 HydrophobicContact CD1-CD1 4.1Å; L221-V274 HydrophobicContact CD1-CG1 4.17Å; L221-L275 HydrophobicContact CD1-CD2 3.79Å; L221-F278 HydrophobicContact CB-CD2 4.14Å; L221-F278 HydrophobicContact CB-CE2 4.43Å; L221-F278 HydrophobicContact CD2-CD2 4.45Å; L221-F278 HydrophobicContact CD2-CE1 4.28Å; L221-F278 HydrophobicContact CD2-CE2 4.24Å; L221-F278 HydrophobicContact CD2-CZ 4.15Å
222H88.5Confident86.6Confident88 Ų8836.2 Ų36.241%0.40716%0.162SC..Hα-helixtrans-66.7-45178.2-173.962.2000112.6V195 V218 Q219 V220 T225 A226V195-H222 HydrophobicContact CG2-CB 3.57Å; V218-H222 PolarHBondContact O-N 2.88Å; Q219-H222 WeakPolarHBondContact O-CB 3.38Å; Q219-H222 PolarHBondContact O-N 3.47Å; Q219-H222 VanDerWaalsContact O-N 3.12Å; V220-H222 VanDerWaalsContact C-N 3.28Å; V220-H222 PolarHBondContact O-N 2.81Å; H222-T225 PolarHBondContact O-N 2.85Å; H222-A226 WeakPolarHBondContact O-CB 3.32Å; H222-A226 PolarHBondContact O-N 2.94Å
223D85Confident86.6Confident15 Ų1540.8 Ų40.88%0.0818%0.183CC..Hα-helixtrans-66.3-37.7-179.5-76.5-31.1000111.3L178 R188 Q219 V220 T225 A226 L227L178-D223 HydrophobicContact CD2-CB 3.84Å; R188-D223 IonicContact CZ-OD1 3.05Å; R188-D223 IonicContact NE-OD1 3.21Å; R188-D223 IonicContact NE-OD2 3.78Å; R188-D223 PolarHBondContact NE-OD2 2.62Å; R188-D223 IonicContact NH2-OD1 3.59Å; R188-D223 PolarHBondContact NH2-OD1 2.73Å; Q219-D223 VanDerWaalsContact NE2-CG 3.31Å; Q219-D223 PolarHBondContact NE2-OD1 3.07Å; Q219-D223 VanDerWaalsContact NE2-OD1 3.11Å; Q219-D223 PolarHBondContact NE2-OD2 3Å; Q219-D223 PolarHBondContact O-N 3.32Å; V220-D223 PolarHBondContact O-N 2.82Å; D223-T225 PolarHBondContact O-N 2.86Å; D223-A226 PolarHBondContact O-N 2.71Å; D223-L227 WeakPolarHBondContact O-CB 3.36Å; D223-L227 PolarHBondContact O-N 2.77Å
224I86.9Confident86.4Confident0 Ų039.4 Ų39.40%018%0.176CC..Hα-helixtrans-57.5-50.6172.6-71164.2000110.2L156 L178 V220 A226 L227 L228 L245 F278L156-I224 HydrophobicContact CD2-CD1 3.66Å; L156-I224 HydrophobicContact CD2-CG1 3.95Å; L156-I224 HydrophobicContact CD2-CG2 4.34Å; L178-I224 HydrophobicContact CD1-CG1 3.97Å; V220-I224 HydrophobicContact CG1-CD1 3.7Å; V220-I224 HydrophobicContact CG1-CG1 4.27Å; V220-I224 WeakPolarHBondContact O-CB 3.44Å; V220-I224 VanDerWaalsContact O-CG1 3.24Å; V220-I224 WeakPolarHBondContact O-CG1 3.45Å; V220-I224 PolarHBondContact O-N 3.45Å; I224-A226 PolarHBondContact O-N 3.24Å; I224-L227 PolarHBondContact O-N 3.41Å; I224-L228 HydrophobicContact CG2-CD1 3.93Å; I224-L228 WeakPolarHBondContact O-CB 3.4Å; I224-L228 WeakPolarHBondContact O-CG 3.03Å; I224-L228 PolarHBondContact O-N 2.75Å; I224-L245 HydrophobicContact CD1-CD1 4.2Å; I224-L245 HydrophobicContact CD1-CD2 4.01Å; I224-F278 HydrophobicContact CG2-CE2 4.38Å
225T89Confident86Confident7 Ų739.6 Ų39.64%0.04318%0.177CC..Hα-helixtrans-63-42.8178.9-56.50000111.7L221 H222 D223 L227 L228 Q229 F278 D281L221-T225 PolarHBondContact O-N 3.34Å; L221-T225 PolarHBondContact O-OG1 2.84Å; H222-T225 PolarHBondContact O-N 2.85Å; D223-T225 PolarHBondContact O-N 2.86Å; T225-L227 PolarHBondContact O-N 2.79Å; T225-L228 PolarHBondContact O-N 2.88Å; T225-Q229 HydrophobicContact CG2-CG 4.5Å; T225-Q229 WeakPolarHBondContact O-CB 3.41Å; T225-Q229 VanDerWaalsContact O-CG 3.23Å; T225-Q229 WeakPolarHBondContact O-CG 3.46Å; T225-Q229 PolarHBondContact O-N 2.94Å; T225-F278 WeakPolarHBondContact OG1-CD2 3.5Å; T225-F278 WeakPolarHBondContact OG1-CE2 3.5Å; T225-D281 HydrophobicContact CG2-CB 3.69Å
226A88.2Confident85.7Confident24 Ų2447 Ų4720%0.19821%0.209CC..Hα-helixtrans-63.5-40.6178.600000112.3H222 D223 I224 Q229 R230H222-A226 WeakPolarHBondContact O-CB 3.32Å; H222-A226 PolarHBondContact O-N 2.94Å; D223-A226 PolarHBondContact O-N 2.71Å; I224-A226 PolarHBondContact O-N 3.24Å; A226-Q229 PolarHBondContact O-N 3.32Å; A226-R230 WeakPolarHBondContact O-CG 3.31Å; A226-R230 PolarHBondContact O-N 2.89Å; A226-R230 VanDerWaalsContact O-N 3.09Å
227L85.6Confident85.5Confident17 Ų1748.3 Ų48.39%0.08922%0.216CC..Hα-helixtrans-66.5-46.9177.2-177.9166.4000111.1V174 F175 L178 D223 I224 T225 Q229 R230 H231V174-L227 HydrophobicContact CG1-CD2 3.65Å; V174-L227 HydrophobicContact CG1-CG 4.35Å; V174-L227 VanDerWaalsContact O-CD1 3.31Å; V174-L227 WeakPolarHBondContact O-CD1 3.25Å; F175-L227 HydrophobicContact CB-CD1 4.46Å; F175-L227 HydrophobicContact CD1-CD1 3.42Å; F175-L227 VanDerWaalsContact CD1-CD1 3.42Å; F175-L227 HydrophobicContact CD1-CD2 3.62Å; F175-L227 HydrophobicContact CD1-CG 4.13Å; F175-L227 HydrophobicContact CD2-CD2 4.41Å; F175-L227 HydrophobicContact CE1-CD1 3.88Å; F175-L227 HydrophobicContact CE1-CD2 3.23Å; F175-L227 HydrophobicContact CE1-CG 4.1Å; F175-L227 HydrophobicContact CE2-CD2 4.07Å; F175-L227 HydrophobicContact CG-CD1 4.05Å; F175-L227 HydrophobicContact CG-CD2 4.21Å; F175-L227 HydrophobicContact CZ-CD2 3.47Å; F175-L227 VanDerWaalsContact CZ-CD2 3.47Å; L178-L227 HydrophobicContact CD2-CD1 4.19Å; L178-L227 HydrophobicContact CG-CD1 4.05Å; D223-L227 WeakPolarHBondContact O-CB 3.36Å; D223-L227 PolarHBondContact O-N 2.77Å; I224-L227 PolarHBondContact O-N 3.41Å; T225-L227 PolarHBondContact O-N 2.79Å; L227-Q229 VanDerWaalsContact C-N 3.25Å; L227-Q229 PolarHBondContact O-N 2.78Å; L227-R230 WeakPolarHBondContact O-CB 3.45Å; L227-R230 PolarHBondContact O-N 2.84Å; L227-H231 PolarHBondContact O-CD2 3.35Å; L227-H231 PolarHBondContact O-N 2.72Å
228L86.7Confident85.2Confident1 Ų154 Ų541%0.00524%0.241CC..Hα-helixtrans-61.6-35.8175.9-73.2173.5000112.1F175 I224 T225 R230 H231 R232 Y243 M282 L285F175-L228 HydrophobicContact CE1-CD2 4.38Å; F175-L228 HydrophobicContact CE1-CG 4.48Å; F175-L228 HydrophobicContact CZ-CD2 3.72Å; F175-L228 HydrophobicContact CZ-CG 4.29Å; I224-L228 HydrophobicContact CG2-CD1 3.93Å; I224-L228 WeakPolarHBondContact O-CB 3.4Å; I224-L228 WeakPolarHBondContact O-CG 3.03Å; I224-L228 PolarHBondContact O-N 2.75Å; T225-L228 PolarHBondContact O-N 2.88Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 2.89Å; L228-H231 CarbonylContact O-C 3.35Å; L228-H231 PolarHBondContact O-N 2.75Å; L228-R232 PolarHBondContact O-N 2.84Å; L228-Y243 HydrophobicContact CD1-CE1 4.11Å; L228-Y243 WeakPolarHBondContact CD2-OH 3.41Å; L228-M282 HydrophobicContact CD1-CE 3.69Å; L228-M282 HydrophobicContact CD1-SD 3.57Å; L228-M282 VanDerWaalsContact CD1-SD 3.57Å; L228-L285 HydrophobicContact CB-CD1 3.66Å; L228-L285 HydrophobicContact CB-CD2 4.07Å; L228-L285 HydrophobicContact CD1-CD2 4.47Å
229Q88.2Confident85.1Confident87 Ų8754 Ų5441%0.40724%0.241SC..Hα-helixtrans-66.4-32.3174.5-76.4177.96.900113T225 A226 L227 R232 L285T225-Q229 HydrophobicContact CG2-CG 4.5Å; T225-Q229 WeakPolarHBondContact O-CB 3.41Å; T225-Q229 VanDerWaalsContact O-CG 3.23Å; T225-Q229 WeakPolarHBondContact O-CG 3.46Å; T225-Q229 PolarHBondContact O-N 2.94Å; A226-Q229 PolarHBondContact O-N 3.32Å; L227-Q229 VanDerWaalsContact C-N 3.25Å; L227-Q229 PolarHBondContact O-N 2.78Å; Q229-R232 WeakPolarHBondContact O-CG 3.36Å; Q229-L285 HydrophobicContact CG-CD1 3.88Å
230R87.4Confident85.3Confident201 Ų20154.5 Ų54.576%0.75824%0.244SC*.Hα-helixtrans-72.3-40.4172.1-69169.8-176.9-178.22.1111A226 L227 L228A226-R230 WeakPolarHBondContact O-CG 3.31Å; A226-R230 PolarHBondContact O-N 2.89Å; A226-R230 VanDerWaalsContact O-N 3.09Å; L227-R230 WeakPolarHBondContact O-CB 3.45Å; L227-R230 PolarHBondContact O-N 2.84Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 2.89Å
231H85.1Confident85.6Confident64 Ų6454.1 Ų54.130%0.29624%0.241SC..THydrogen-bonded Turntrans-103.951.9-177.3-63.1-89.7000112.5V174 L227 L228 H233 L234V174-H231 HydrophobicContact CG1-CB 3.99Å; V174-H231 WeakPolarHBondContact CG1-CD2 3.44Å; L227-H231 PolarHBondContact O-CD2 3.35Å; L227-H231 PolarHBondContact O-N 2.72Å; L228-H231 CarbonylContact O-C 3.35Å; L228-H231 PolarHBondContact O-N 2.75Å; H231-H233 AromaticContact ND1-CE1 3.51Å; H231-H233 PolarHBondContact O-N 2.89Å; H231-L234 HydrophobicContact CB-CD1 3.8Å; H231-L234 HydrophobicContact CB-CG 4.17Å; H231-L234 WeakPolarHBondContact O-CB 3.43Å; H231-L234 PolarHBondContact O-N 3.39Å
232R84.6Confident85.8Confident159 Ų15954 Ų5460%0.624%0.241SC*.THydrogen-bonded Turntrans-58-16.4-177.7-62.1-161.1-178.7-159.20115.4L228 Q229 L234L228-R232 PolarHBondContact O-N 2.84Å; Q229-R232 WeakPolarHBondContact O-CG 3.36Å; R232-L234 VanDerWaalsContact C-N 3.28Å
233H83.2Confident86Confident122 Ų12249.8 Ų49.857%0.56522%0.221SC*.THydrogen-bonded Turntrans-68-29.9177.458.2-89.2000112H231 K236H231-H233 AromaticContact ND1-CE1 3.51Å; H231-H233 PolarHBondContact O-N 2.89Å; H233-K236 PolarHBondContact O-N 2.89Å
234L81.9Confident86.3Confident8 Ų850 Ų504%0.04222%0.224CC..G310 helixtrans-61.8-47.9177.2-62.4176.1000110.8V154 A171 V174 F175 H231 R232 K236 D237V154-L234 HydrophobicContact CG2-CB 4.14Å; V154-L234 HydrophobicContact CG2-CD1 4.34Å; V154-L234 HydrophobicContact CG2-CD2 4.49Å; A171-L234 HydrophobicContact CB-CD2 4.38Å; V174-L234 HydrophobicContact CB-CD1 4.34Å; V174-L234 HydrophobicContact CG1-CD1 4.07Å; V174-L234 HydrophobicContact CG2-CD1 4.3Å; F175-L234 HydrophobicContact CE2-CD1 3.99Å; F175-L234 HydrophobicContact CZ-CD1 4.42Å; H231-L234 HydrophobicContact CB-CD1 3.8Å; H231-L234 HydrophobicContact CB-CG 4.17Å; H231-L234 WeakPolarHBondContact O-CB 3.43Å; H231-L234 PolarHBondContact O-N 3.39Å; R232-L234 VanDerWaalsContact C-N 3.28Å; L234-K236 PolarHBondContact O-N 3.49Å; L234-K236 VanDerWaalsContact O-N 3.13Å; L234-D237 PolarHBondContact O-N 2.87Å
235A81.1Confident86.5Confident4 Ų450 Ų503%0.03322%0.224CC..G310 helixtrans-74.1-2.9-178.800000115.8L285 Y286A235-L285 HydrophobicContact CB-CD2 3.24Å; A235-L285 HydrophobicContact CB-CG 4.21Å; A235-Y286 HydrophobicContact CB-CD1 3.89Å; A235-Y286 HydrophobicContact CB-CD2 4.4Å; A235-Y286 HydrophobicContact CB-CE1 3.52Å; A235-Y286 HydrophobicContact CB-CE2 4.05Å; A235-Y286 HydrophobicContact CB-CG 4.31Å
236K79.9Confident86.6Confident158 Ų15851.3 Ų51.369%0.68723%0.229SC*.G310 helixtrans-106-1.1179.4-74.5-173.9177.1-173.50113.2H233 L234H233-K236 PolarHBondContact O-N 2.89Å; L234-K236 PolarHBondContact O-N 3.49Å; L234-K236 VanDerWaalsContact O-N 3.13Å
237D78.6Confident86.7Confident34 Ų3450.2 Ų50.218%0.18222%0.22CC..SBendtrans-68.5167.6178.7-165.717.2000111.9Y151 T152 L234 S239Y151-D237 WeakPolarHBondContact CB-OD2 3.44Å; Y151-D237 WeakPolarHBondContact CD1-OD1 3.24Å; T152-D237 PolarHBondContact N-OD2 2.85Å; T152-D237 VanDerWaalsContact N-OD2 3.14Å; T152-D237 PolarHBondContact OG1-OD2 3.17Å; L234-D237 PolarHBondContact O-N 2.87Å; D237-S239 VanDerWaalsContact C-N 3.28Å; D237-S239 PolarHBondContact OD2-OG 3Å
238F80.3Confident86.9Confident133 Ų13350.4 Ų50.458%0.58322%0.223SC*.SBendtrans-81.4-7.7176.1-68.2-80.8000113.2R105 Y151R105-F238 VanDerWaalsContact NH1-C 3.27Å; R105-F238 PolarHBondContact NH1-O 3.38Å; Y151-F238 HydrophobicContact CD1-CB 4.22Å; Y151-F238 HydrophobicContact CE1-CB 3.85Å; Y151-F238 HydrophobicContact CE1-CD2 4.14Å; Y151-F238 HydrophobicContact CE1-CG 4.41Å
239S86.4Confident86.9Confident2 Ų250.4 Ų50.41%0.01422%0.223CC..SBendtrans-80.7146.1174.850.90000111.7P153 D237P153-S239 WeakPolarHBondContact CA-OG 3.36Å; D237-S239 VanDerWaalsContact C-N 3.28Å; D237-S239 PolarHBondContact OD2-OG 3Å
240P90.7Very high87.1Confident9 Ų946.3 Ų46.36%0.05820%0.204CC..PPolyproline II helixtrans-79.4135.6168.231-30.4000110.4F84 R105 V144 F148F84-P240 HydrophobicContact CZ-CG 4.12Å; R105-P240 CarbonylContact O-C 3.43Å; R105-P240 WeakPolarHBondContact O-CA 3.3Å; V144-P240 HydrophobicContact CG1-CG 4.37Å; V144-P240 VanDerWaalsContact CG1-O 3.32Å; V144-P240 WeakPolarHBondContact CG1-O 3.34Å; V144-P240 HydrophobicContact CG2-CG 4.35Å; F148-P240 VanDerWaalsContact CD2-CD 3.45Å; F148-P240 HydrophobicContact CD2-CG 3.75Å; F148-P240 VanDerWaalsContact CE2-CD 3.46Å; F148-P240 HydrophobicContact CE2-CG 3.49Å; F148-P240 VanDerWaalsContact CE2-CG 3.49Å; F148-P240 HydrophobicContact CG-CG 4.37Å; F148-P240 HydrophobicContact CZ-CG 3.92Å
241D92.1Very high87.2Confident1 Ų139.3 Ų39.31%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-98.3146.4176.9-65.1-28.5000111.4R105 A106 N107 V154 Y243 Y286R105-D241 PolarHBondContact O-N 3.12Å; A106-D241 CarbonylContact C-O 3.58Å; A106-D241 VanDerWaalsContact CA-O 3.23Å; A106-D241 WeakPolarHBondContact CA-O 3.36Å; A106-D241 HydrophobicContact CB-CB 4.2Å; N107-D241 PolarHBondContact N-O 2.97Å; V154-D241 HydrophobicContact CB-CB 4.2Å; V154-D241 PolarHBondContact N-OD1 3.12Å; V154-D241 CarbonylContact O-C 3.19Å; V154-D241 WeakPolarHBondContact O-CA 3.3Å; D241-Y243 HydrophobicContact CB-CE2 3.74Å; D241-Y286 HydrophobicContact CB-CE1 4.25Å; D241-Y286 WeakPolarHBondContact OD2-CE1 3.23Å; D241-Y286 VanDerWaalsContact OD2-CZ 3.28Å; D241-Y286 PolarHBondContact OD2-OH 3.22Å
242L92.6Very high87.4Confident0 Ų038.9 Ų38.90%018%0.178CC..EExtended strand (participates in β ladder)trans-127.7123.3-177.8-17763.5000110.5V78 M82 N107 L137 V140 A141 V154 V155 L156V78-L242 HydrophobicContact CG1-CD1 4.2Å; M82-L242 HydrophobicContact CE-CD1 4Å; M82-L242 HydrophobicContact SD-CD1 4.48Å; N107-L242 HydrophobicContact CB-CD1 4.29Å; L137-L242 HydrophobicContact CB-CD2 4.18Å; L137-L242 HydrophobicContact CD1-CD1 3.95Å; V140-L242 HydrophobicContact CB-CD2 4.16Å; V140-L242 HydrophobicContact CG1-CD2 4.02Å; A141-L242 HydrophobicContact CB-CD2 4.05Å; V154-L242 PolarHBondContact O-N 3.15Å; V155-L242 CarbonylContact C-O 3.51Å; V155-L242 VanDerWaalsContact CA-O 3.31Å; V155-L242 WeakPolarHBondContact CA-O 3.23Å; V155-L242 HydrophobicContact CG1-CB 4.29Å; V155-L242 HydrophobicContact CG1-CD2 4.23Å; V155-L242 HydrophobicContact CG2-CB 4.33Å; L156-L242 PolarHBondContact N-O 3.36Å
243Y92.3Very high87.7Confident0 Ų031.3 Ų31.30%015%0.149CC..EExtended strand (participates in β ladder)trans-120.5117.3175.7-58-90.7000109.2A106 N107 V108 L109 V154 L156 L228 D241 M282 Y286A106-Y243 HydrophobicContact CB-CE2 4.4Å; N107-Y243 PolarHBondContact O-N 3.32Å; V108-Y243 HydrophobicContact CG2-CD2 3.74Å; V108-Y243 HydrophobicContact CG2-CG 4.21Å; L109-Y243 PolarHBondContact N-O 3.48Å; V154-Y243 HydrophobicContact CG1-CE1 3.99Å; L156-Y243 HydrophobicContact CB-CD1 3.67Å; L156-Y243 HydrophobicContact CB-CE1 4.08Å; L156-Y243 HydrophobicContact CD2-CD1 3.82Å; L156-Y243 HydrophobicContact CD2-CE1 4.19Å; L156-Y243 HydrophobicContact CG-CD1 4.37Å; L156-Y243 CarbonylContact O-C 3.57Å; L156-Y243 WeakPolarHBondContact O-CA 3.28Å; L228-Y243 HydrophobicContact CD1-CE1 4.11Å; L228-Y243 WeakPolarHBondContact CD2-OH 3.41Å; D241-Y243 HydrophobicContact CB-CE2 3.74Å; Y243-M282 HydrophobicContact CD2-CE 3.85Å; Y243-M282 HydrophobicContact CE1-CE 4.42Å; Y243-M282 HydrophobicContact CE2-CE 3.67Å; Y243-M282 HydrophobicContact CG-CE 4.29Å; Y243-Y286 HydrophobicContact CE2-CE2 4.3Å; Y243-Y286 WeakPolarHBondContact CE2-OH 3.35Å; Y243-Y286 PolarHBondContact OH-OH 2.59Å
244S92.4Very high88.1Confident19 Ų1926.8 Ų26.813%0.13313%0.132CC..EExtended strand (participates in β ladder)trans-118105.2176.1-1690000108.6L109 L156 Q157 L158L109-S244 WeakPolarHBondContact O-CA 3.4Å; L156-S244 PolarHBondContact O-N 3.08Å; Q157-S244 CarbonylContact C-O 3.54Å; Q157-S244 VanDerWaalsContact CA-O 3.26Å; Q157-S244 WeakPolarHBondContact CA-O 3.28Å; L158-S244 PolarHBondContact N-O 3.15Å
245L91.1Very high88.5Confident0 Ų035.5 Ų35.50%016%0.164CC..EExtended strand (participates in β ladder)trans-118.3109.9-173.2-56.2175.2000109.6L109 V110 V111 L156 L158 L221 I224 F278L109-L245 PolarHBondContact O-N 3.43Å; V110-L245 CarbonylContact C-O 3.5Å; V110-L245 VanDerWaalsContact CA-O 3.27Å; V110-L245 WeakPolarHBondContact CA-O 3.28Å; V110-L245 HydrophobicContact CG1-CB 4.41Å; V110-L245 HydrophobicContact CG2-CB 4.37Å; V110-L245 HydrophobicContact CG2-CD1 4.37Å; V111-L245 PolarHBondContact N-O 3.22Å; L156-L245 HydrophobicContact CD2-CD2 4.22Å; L158-L245 HydrophobicContact CB-CD2 3.72Å; L158-L245 HydrophobicContact CD2-CD2 4.42Å; L221-L245 HydrophobicContact CD2-CD1 3.64Å; I224-L245 HydrophobicContact CD1-CD1 4.2Å; I224-L245 HydrophobicContact CD1-CD2 4.01Å; L245-F278 HydrophobicContact CD1-CE1 4.17Å; L245-F278 HydrophobicContact CD1-CZ 3.85Å
246E90.1Very high88.9Confident34 Ų3439.8 Ų39.816%0.15919%0.186CC..EExtended strand (participates in β ladder)trans-93.6128.8172-175.5-176.5166.400109.9V111 R113 L158 P160V111-E246 HydrophobicContact CB-CB 4.45Å; V111-E246 HydrophobicContact CB-CG 4.4Å; V111-E246 CarbonylContact O-C 3.3Å; V111-E246 WeakPolarHBondContact O-CA 3.37Å; R113-E246 WeakPolarHBondContact CD-OE1 3.5Å; R113-E246 IonicContact CZ-OE1 3.61Å; R113-E246 IonicContact NE-OE1 3.09Å; R113-E246 IonicContact NH1-OE1 3.1Å; R113-E246 PolarHBondContact NH1-OE1 3.3Å; L158-E246 WeakPolarHBondContact O-CB 3.22Å; L158-E246 PolarHBondContact O-N 3.44Å; P160-E246 WeakPolarHBondContact CD-O 3.43Å; P160-E246 WeakPolarHBondContact CG-O 3.33Å
247L90.2Very high89.4Confident2 Ų235.9 Ų35.91%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-117.8121.2179.9-52.3-175.5000108.8V110 V111 V112 R113 E217 L221 L271 L275V110-L247 HydrophobicContact CG1-CD1 3.73Å; V110-L247 HydrophobicContact CG1-CG 3.97Å; V111-L247 PolarHBondContact O-N 3.01Å; V112-L247 HydrophobicContact CG2-CD1 4.4Å; R113-L247 PolarHBondContact N-O 3.37Å; E217-L247 HydrophobicContact CB-CD2 4.04Å; E217-L247 HydrophobicContact CG-CD2 4.2Å; L221-L247 HydrophobicContact CD1-CD1 4.1Å; L247-L271 HydrophobicContact CD1-CD1 4.03Å; L247-L275 HydrophobicContact CD1-CD2 4.36Å
248S89.1Confident89.9Confident21 Ų2135.5 Ų35.515%0.14717%0.171CC..  trans-112.7-8.2-174.565.20000113.5P160 E217 L250 E251 E252P160-S248 VanDerWaalsContact CB-OG 3.25Å; P160-S248 WeakPolarHBondContact CB-OG 3.38Å; E217-S248 PolarHBondContact OE1-N 3.01Å; E217-S248 PolarHBondContact OE1-OG 3.31Å; E217-S248 VanDerWaalsContact OE1-OG 3.04Å; E217-S248 PolarHBondContact OE2-N 3.5Å; S248-L250 VanDerWaalsContact C-N 3.32Å; S248-L250 PolarHBondContact O-N 3.34Å; S248-E251 WeakPolarHBondContact O-CB 3.45Å; S248-E251 PolarHBondContact O-N 3.44Å; S248-E252 PolarHBondContact O-N 2.92Å
249G88.3Confident90.2Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-60.1-36.6-174.100000113.8E217 E251 E252 L253E217-G249 VanDerWaalsContact CD-N 3.26Å; E217-G249 PolarHBondContact OE1-N 3.49Å; E217-G249 VanDerWaalsContact OE2-CA 3.32Å; E217-G249 WeakPolarHBondContact OE2-CA 3.46Å; E217-G249 PolarHBondContact OE2-N 2.89Å; G249-E251 VanDerWaalsContact C-N 3.35Å; G249-E251 PolarHBondContact O-N 2.98Å; G249-E252 PolarHBondContact O-N 3.33Å; G249-L253 VanDerWaalsContact O-CG 3.28Å; G249-L253 WeakPolarHBondContact O-CG 3.2Å; G249-L253 PolarHBondContact O-N 3.49Å
250L91.2Very high90.3Very high2 Ų239.8 Ų39.81%0.0120%0.197CC..Hα-helixtrans-68.1-32.1176.3-74.2-172.1000113V112 R113 V115 F214 S248 L253 S254 Y264 A267 L271V112-L250 HydrophobicContact CG1-CD1 3.87Å; R113-L250 WeakPolarHBondContact O-CB 3.42Å; V115-L250 HydrophobicContact CB-CD1 4.27Å; V115-L250 HydrophobicContact CG1-CD1 4.2Å; F214-L250 HydrophobicContact CD2-CD2 3.98Å; F214-L250 HydrophobicContact CD2-CG 4.31Å; F214-L250 HydrophobicContact CE2-CD2 3.73Å; F214-L250 HydrophobicContact CE2-CG 4.13Å; S248-L250 VanDerWaalsContact C-N 3.32Å; S248-L250 PolarHBondContact O-N 3.34Å; L250-L253 HydrophobicContact CD2-CD1 4.28Å; L250-S254 WeakPolarHBondContact O-CB 3.5Å; L250-S254 PolarHBondContact O-N 3.4Å; L250-Y264 HydrophobicContact CB-CE2 4.47Å; L250-A267 HydrophobicContact CD2-CB 3.66Å; L250-L271 HydrophobicContact CD1-CD2 3.41Å; L250-L271 VanDerWaalsContact CD1-CD2 3.41Å; L250-L271 HydrophobicContact CG-CD2 3.94Å
251E91Very high90.3Very high54 Ų5440 Ų4025%0.25220%0.198SC..Hα-helixtrans-64.3-46.1174.7-172.3177.1174.200110.5R113 S248 G249 S254 R255R113-E251 HydrophobicContact CB-CB 4.22Å; R113-E251 WeakPolarHBondContact CB-OE2 3.43Å; R113-E251 IonicContact CZ-OE2 3.77Å; R113-E251 IonicContact NE-OE2 2.89Å; R113-E251 PolarHBondContact NE-OE2 3.44Å; R113-E251 IonicContact NH2-OE1 3.81Å; R113-E251 PolarHBondContact NH2-OE1 3.37Å; R113-E251 IonicContact NH2-OE2 3.35Å; R113-E251 PolarHBondContact NH2-OE2 2.89Å; R113-E251 PolarHBondContact O-N 3.1Å; S248-E251 WeakPolarHBondContact O-CB 3.45Å; S248-E251 PolarHBondContact O-N 3.44Å; G249-E251 VanDerWaalsContact C-N 3.35Å; G249-E251 PolarHBondContact O-N 2.98Å; E251-S254 PolarHBondContact O-N 3.34Å; E251-R255 WeakPolarHBondContact O-CB 3.2Å; E251-R255 PolarHBondContact O-N 3.32Å
252E88.2Confident90.3Very high55 Ų5543.6 Ų43.626%0.25722%0.222SC..Hα-helixtrans-67.9-37.9179.1-168.556.7-150.300112.1A210 L213 S248 G249 R255 L256A210-E252 HydrophobicContact CB-CG 3.78Å; L213-E252 HydrophobicContact CD2-CB 4.24Å; S248-E252 PolarHBondContact O-N 2.92Å; G249-E252 PolarHBondContact O-N 3.33Å; E252-R255 WeakPolarHBondContact O-CB 3.33Å; E252-R255 PolarHBondContact O-N 3.13Å; E252-R255 IonicContact OE1-CZ 3.39Å; E252-R255 VanDerWaalsContact OE1-CZ 3.26Å; E252-R255 IonicContact OE1-NE 2.89Å; E252-R255 PolarHBondContact OE1-NE 3.44Å; E252-R255 VanDerWaalsContact OE1-NE 3.09Å; E252-R255 IonicContact OE1-NH2 3.26Å; E252-R255 PolarHBondContact OE1-NH2 3.08Å; E252-R255 IonicContact OE2-CZ 2.69Å; E252-R255 VanDerWaalsContact OE2-CZ 3.3Å; E252-R255 IonicContact OE2-NE 3.26Å; E252-R255 PolarHBondContact OE2-NE 3.43Å; E252-R255 VanDerWaalsContact OE2-NE 3.1Å; E252-R255 IonicContact OE2-NH2 3.3Å; E252-R255 PolarHBondContact OE2-NH2 3.48Å; E252-L256 PolarHBondContact O-N 3.45Å
253L90.8Very high90.1Very high0 Ų045.8 Ų45.80%023%0.232CC..Hα-helixtrans-64.3-42.5172.5-71.9178.1000112.3L204 A210 D211 F214 G249 L250 R255 L256 Y257 A267L204-L253 HydrophobicContact CD2-CD1 4.39Å; A210-L253 HydrophobicContact CB-CD2 3.99Å; D211-L253 WeakPolarHBondContact OD1-CD2 3.29Å; F214-L253 HydrophobicContact CB-CD1 3.68Å; F214-L253 HydrophobicContact CB-CG 4.33Å; F214-L253 HydrophobicContact CD1-CD1 4.18Å; F214-L253 HydrophobicContact CD2-CD1 4.13Å; F214-L253 HydrophobicContact CG-CD1 3.72Å; G249-L253 VanDerWaalsContact O-CG 3.28Å; G249-L253 WeakPolarHBondContact O-CG 3.2Å; G249-L253 PolarHBondContact O-N 3.49Å; L250-L253 HydrophobicContact CD2-CD1 4.28Å; L253-R255 PolarHBondContact O-N 3.08Å; L253-L256 PolarHBondContact O-N 2.71Å; L253-Y257 HydrophobicContact CD2-CD2 3.9Å; L253-Y257 HydrophobicContact CD2-CE2 3.73Å; L253-Y257 PolarHBondContact O-N 3.18Å; L253-A267 HydrophobicContact CD1-CB 3.67Å
254S91.2Very high90.1Very high27 Ų2746.5 Ų46.519%0.18924%0.235CC..Hα-helixtrans-62.3-33.7174.4-1780000111.4L250 E251 G258 K259L250-S254 WeakPolarHBondContact O-CB 3.5Å; L250-S254 PolarHBondContact O-N 3.4Å; E251-S254 PolarHBondContact O-N 3.34Å; S254-G258 WeakPolarHBondContact O-CA 3.1Å; S254-G258 PolarHBondContact O-N 3.27Å; S254-G258 VanDerWaalsContact O-N 3.14Å; S254-K259 WeakPolarHBondContact OG-CG 3.4Å
255R90.3Very high90Very high191 Ų19153.9 Ų53.972%0.72126%0.26SS*.Hα-helixtrans-71.2-40.9177.6-168.9176.679.3153.22.4112.1E251 E252 L253E251-R255 WeakPolarHBondContact O-CB 3.2Å; E251-R255 PolarHBondContact O-N 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.33Å; E252-R255 PolarHBondContact O-N 3.13Å; E252-R255 IonicContact OE1-CZ 3.39Å; E252-R255 VanDerWaalsContact OE1-CZ 3.26Å; E252-R255 IonicContact OE1-NE 2.89Å; E252-R255 PolarHBondContact OE1-NE 3.44Å; E252-R255 VanDerWaalsContact OE1-NE 3.09Å; E252-R255 IonicContact OE1-NH2 3.26Å; E252-R255 PolarHBondContact OE1-NH2 3.08Å; E252-R255 IonicContact OE2-CZ 2.69Å; E252-R255 VanDerWaalsContact OE2-CZ 3.3Å; E252-R255 IonicContact OE2-NE 3.26Å; E252-R255 PolarHBondContact OE2-NE 3.43Å; E252-R255 VanDerWaalsContact OE2-NE 3.1Å; E252-R255 IonicContact OE2-NH2 3.3Å; E252-R255 PolarHBondContact OE2-NH2 3.48Å; L253-R255 PolarHBondContact O-N 3.08Å
256L91.1Very high90Very high94 Ų9456.5 Ų56.549%0.49227%0.274SS..Hα-helixtrans-79.8-50.9-176.1-176.262.8000113.2S208 A210 E252 L253S208-L256 WeakPolarHBondContact OG-CD2 3.35Å; A210-L256 HydrophobicContact CB-CB 4.44Å; A210-L256 HydrophobicContact CB-CD2 3.7Å; E252-L256 PolarHBondContact O-N 3.45Å; L253-L256 PolarHBondContact O-N 2.71Å
257Y89.4Confident90.1Very high76 Ų7654.9 Ų54.930%0.29827%0.267SS..THydrogen-bonded Turntrans-100.8-21.7-173.1-59.8-71.7000113.4S208 D211 L253 S261 Q263S208-Y257 WeakPolarHBondContact CB-OH 3.28Å; S208-Y257 PolarHBondContact OG-OH 2.9Å; S208-Y257 VanDerWaalsContact OG-OH 3.11Å; D211-Y257 WeakPolarHBondContact OD1-CE2 3.39Å; D211-Y257 PolarHBondContact OD2-OH 2.89Å; L253-Y257 HydrophobicContact CD2-CD2 3.9Å; L253-Y257 HydrophobicContact CD2-CE2 3.73Å; L253-Y257 PolarHBondContact O-N 3.18Å; Y257-S261 VanDerWaalsContact CB-OG 3.28Å; Y257-S261 WeakPolarHBondContact CB-OG 3.45Å; Y257-S261 WeakPolarHBondContact O-CB 3.31Å; Y257-Q263 HydrophobicContact CD1-CG 4.27Å; Y257-Q263 HydrophobicContact CD2-CB 3.98Å; Y257-Q263 HydrophobicContact CD2-CG 4.27Å; Y257-Q263 HydrophobicContact CE1-CG 4.38Å; Y257-Q263 HydrophobicContact CE2-CB 4.43Å; Y257-Q263 HydrophobicContact CE2-CG 4.39Å; Y257-Q263 HydrophobicContact CG-CB 4.11Å; Y257-Q263 HydrophobicContact CG-CG 4.23Å
258G89.2Confident90.2Very high26 Ų2656 Ų5627%0.26827%0.273SS..  trans87.8156.6-173.800000113.4S254 D260 S261 Y264S254-G258 WeakPolarHBondContact O-CA 3.1Å; S254-G258 PolarHBondContact O-N 3.27Å; S254-G258 VanDerWaalsContact O-N 3.14Å; G258-D260 VanDerWaalsContact C-N 3.29Å; G258-D260 PolarHBondContact O-N 3.43Å; G258-S261 WeakPolarHBondContact O-CB 3.46Å; G258-S261 PolarHBondContact O-N 3.4Å; G258-S261 PolarHBondContact O-OG 2.86Å; G258-Y264 WeakPolarHBondContact O-CB 3.04Å
259K87Confident90.3Very high67 Ų6758.1 Ų58.129%0.29129%0.292SS..THydrogen-bonded Turntrans-63-29.1-176-68.6-168168.9-154.40114.4D116 S254 S261 Y264D116-K259 IonicContact OD1-NZ 2.88Å; D116-K259 PolarHBondContact OD1-NZ 3.01Å; D116-K259 IonicContact OD2-NZ 3.19Å; D116-K259 PolarHBondContact OD2-NZ 3.46Å; S254-K259 WeakPolarHBondContact OG-CG 3.4Å; K259-S261 VanDerWaalsContact C-N 3.32Å; K259-Y264 HydrophobicContact CB-CD1 4.5Å; K259-Y264 HydrophobicContact CB-CE1 4.38Å; K259-Y264 HydrophobicContact CG-CE1 4.48Å; K259-Y264 WeakPolarHBondContact O-CD1 3.26Å
260D88.4Confident90.4Very high157 Ų15758.6 Ų58.684%0.8430%0.295SS*.THydrogen-bonded Turntrans-88-2-178.2-62-46.5000113.4G258G258-D260 VanDerWaalsContact C-N 3.29Å; G258-D260 PolarHBondContact O-N 3.43Å
261S90.9Very high90.5Very high13 Ų1358.7 Ų58.79%0.09130%0.295CS..SBendtrans-69.2147.9-177.766.90000112.4Y257 G258 K259 Q263 Y264 R265Y257-S261 VanDerWaalsContact CB-OG 3.28Å; Y257-S261 WeakPolarHBondContact CB-OG 3.45Å; Y257-S261 WeakPolarHBondContact O-CB 3.31Å; G258-S261 WeakPolarHBondContact O-CB 3.46Å; G258-S261 PolarHBondContact O-N 3.4Å; G258-S261 PolarHBondContact O-OG 2.86Å; K259-S261 VanDerWaalsContact C-N 3.32Å; S261-Q263 PolarHBondContact O-N 2.84Å; S261-Y264 PolarHBondContact O-N 3.42Å; S261-Y264 VanDerWaalsContact OG-CB 3.22Å; S261-Y264 WeakPolarHBondContact OG-CB 3.25Å; S261-Y264 PolarHBondContact OG-N 3.46Å; S261-Y264 VanDerWaalsContact OG-N 3.16Å; S261-R265 WeakPolarHBondContact O-CG 3.33Å; S261-R265 PolarHBondContact O-N 2.84Å; S261-R265 VanDerWaalsContact O-N 3.13Å
262P90.7Very high90.6Very high78 Ų7856.5 Ų56.551%0.50629%0.286SS..Hα-helixtrans-62-32.7174.324.5-31.4000111.7R265 D266P262-R265 PolarHBondContact O-N 2.71Å; P262-D266 VanDerWaalsContact O-CB 3.32Å; P262-D266 WeakPolarHBondContact O-CB 3.32Å; P262-D266 VanDerWaalsContact O-CG 3.24Å; P262-D266 PolarHBondContact O-N 3.3Å
263Q90.1Very high90.8Very high45 Ų4556.9 Ų56.921%0.2130%0.295CS..Hα-helixtrans-59.3-50.4175.5-68.179.15.400111.7S203 L204 Y257 S261 D266 A267S203-Q263 WeakPolarHBondContact O-CG 3.44Å; L204-Q263 HydrophobicContact CD2-CB 4.26Å; Y257-Q263 HydrophobicContact CD1-CG 4.27Å; Y257-Q263 HydrophobicContact CD2-CB 3.98Å; Y257-Q263 HydrophobicContact CD2-CG 4.27Å; Y257-Q263 HydrophobicContact CE1-CG 4.38Å; Y257-Q263 HydrophobicContact CE2-CB 4.43Å; Y257-Q263 HydrophobicContact CE2-CG 4.39Å; Y257-Q263 HydrophobicContact CG-CB 4.11Å; Y257-Q263 HydrophobicContact CG-CG 4.23Å; S261-Q263 PolarHBondContact O-N 2.84Å; Q263-D266 PolarHBondContact O-N 2.84Å; Q263-A267 VanDerWaalsContact O-CB 3.23Å; Q263-A267 WeakPolarHBondContact O-CB 3.3Å; Q263-A267 PolarHBondContact O-N 2.77Å
264Y91.3Very high90.9Very high16 Ų1658.1 Ų58.16%0.06330%0.303CS..Hα-helixtrans-65.6-40.8-179.5-179.6-95000111.7G114 L250 G258 K259 S261 A267 T268G114-Y264 PolarHBondContact O-OH 3.32Å; L250-Y264 HydrophobicContact CB-CE2 4.47Å; G258-Y264 WeakPolarHBondContact O-CB 3.04Å; K259-Y264 HydrophobicContact CB-CD1 4.5Å; K259-Y264 HydrophobicContact CB-CE1 4.38Å; K259-Y264 HydrophobicContact CG-CE1 4.48Å; K259-Y264 WeakPolarHBondContact O-CD1 3.26Å; S261-Y264 PolarHBondContact O-N 3.42Å; S261-Y264 VanDerWaalsContact OG-CB 3.22Å; S261-Y264 WeakPolarHBondContact OG-CB 3.25Å; S261-Y264 PolarHBondContact OG-N 3.46Å; S261-Y264 VanDerWaalsContact OG-N 3.16Å; Y264-A267 PolarHBondContact O-N 2.9Å; Y264-T268 WeakPolarHBondContact O-CB 2.96Å; Y264-T268 PolarHBondContact O-N 3.2Å; Y264-T268 PolarHBondContact O-OG1 3.13Å
265R91.1Very high91Very high173 Ų17356.9 Ų56.965%0.65329%0.294SS*.Hα-helixtrans-65.1-44.4178-69.5-177.766.7175.41.3112.4S261 P262 T268 A269S261-R265 WeakPolarHBondContact O-CG 3.33Å; S261-R265 PolarHBondContact O-N 2.84Å; S261-R265 VanDerWaalsContact O-N 3.13Å; P262-R265 PolarHBondContact O-N 2.71Å; R265-T268 PolarHBondContact O-N 3.16Å; R265-A269 PolarHBondContact O-N 3.22Å; R265-A269 VanDerWaalsContact O-N 3.08Å
266D90.6Very high91.2Very high56 Ų5648.3 Ų48.330%0.29926%0.262SS..Hα-helixtrans-65.4-44.1176.6-72.8-7.5000110.8S203 P262 Q263 T268 A269 I270S203-D266 VanDerWaalsContact CB-OD2 3.27Å; S203-D266 WeakPolarHBondContact CB-OD2 3.34Å; S203-D266 WeakPolarHBondContact OG-CB 3.27Å; S203-D266 PolarHBondContact OG-OD2 2.56Å; P262-D266 VanDerWaalsContact O-CB 3.32Å; P262-D266 WeakPolarHBondContact O-CB 3.32Å; P262-D266 VanDerWaalsContact O-CG 3.24Å; P262-D266 PolarHBondContact O-N 3.3Å; Q263-D266 PolarHBondContact O-N 2.84Å; D266-T268 VanDerWaalsContact C-N 3.34Å; D266-T268 PolarHBondContact O-N 2.96Å; D266-A269 PolarHBondContact O-N 2.93Å; D266-I270 WeakPolarHBondContact O-CB 3.41Å; D266-I270 VanDerWaalsContact O-CG1 3.26Å; D266-I270 WeakPolarHBondContact O-CG1 3.39Å; D266-I270 PolarHBondContact O-N 3.21Å
267A91.4Very high91.3Very high0 Ų050 Ų500%027%0.265CS..Hα-helixtrans-60.2-42.1176.100000112.2L204 F214 L250 L253 Q263 Y264 I270 L271L204-A267 HydrophobicContact CD1-CB 4.45Å; L204-A267 HydrophobicContact CD2-CB 4.37Å; F214-A267 HydrophobicContact CD1-CB 4.27Å; F214-A267 HydrophobicContact CE1-CB 3.86Å; F214-A267 HydrophobicContact CE2-CB 4.18Å; F214-A267 HydrophobicContact CZ-CB 3.81Å; F214-A267 VanDerWaalsContact CZ-O 3.3Å; F214-A267 WeakPolarHBondContact CZ-O 3.23Å; L250-A267 HydrophobicContact CD2-CB 3.66Å; L253-A267 HydrophobicContact CD1-CB 3.67Å; Q263-A267 VanDerWaalsContact O-CB 3.23Å; Q263-A267 WeakPolarHBondContact O-CB 3.3Å; Q263-A267 PolarHBondContact O-N 2.77Å; Y264-A267 PolarHBondContact O-N 2.9Å; A267-I270 PolarHBondContact O-N 3.34Å; A267-L271 WeakPolarHBondContact O-CB 3.26Å; A267-L271 PolarHBondContact O-N 3.14Å
268T92.4Very high91.6Very high25 Ų2546.6 Ų46.615%0.15325%0.252CS..Hα-helixtrans-62.2-44.8176.8-57.50000111.3V115 L118 Y264 R265 D266 L271 A272V115-T268 HydrophobicContact CG2-CG2 4.34Å; L118-T268 HydrophobicContact CD2-CG2 3.47Å; L118-T268 VanDerWaalsContact CD2-CG2 3.47Å; Y264-T268 WeakPolarHBondContact O-CB 2.96Å; Y264-T268 PolarHBondContact O-N 3.2Å; Y264-T268 PolarHBondContact O-OG1 3.13Å; R265-T268 PolarHBondContact O-N 3.16Å; D266-T268 VanDerWaalsContact C-N 3.34Å; D266-T268 PolarHBondContact O-N 2.96Å; T268-L271 PolarHBondContact O-N 3.34Å; T268-A272 WeakPolarHBondContact O-CB 3.46Å; T268-A272 PolarHBondContact O-N 3.38Å
269A91.3Very high91.8Very high66 Ų6645.4 Ų45.455%0.54524%0.239SC..Hα-helixtrans-66.3-42.2177.800000112.2R265 D266 S273R265-A269 PolarHBondContact O-N 3.22Å; R265-A269 VanDerWaalsContact O-N 3.08Å; D266-A269 PolarHBondContact O-N 2.93Å; A269-S273 PolarHBondContact O-N 2.98Å; A269-S273 VanDerWaalsContact O-N 3.12Å
270I91Very high92.2Very high9 Ų944.4 Ų44.45%0.04624%0.236CC..Hα-helixtrans-60.2-50.3174.9-73.3167000109.9L199 L204 F214 D266 A267 A272 S273 V274L199-I270 HydrophobicContact CD1-CG2 3.91Å; L199-I270 HydrophobicContact CD2-CG2 3.71Å; L199-I270 HydrophobicContact CG-CG2 4.42Å; L204-I270 HydrophobicContact CD1-CD1 4.21Å; F214-I270 HydrophobicContact CE1-CG2 4.34Å; F214-I270 HydrophobicContact CZ-CG2 4.26Å; D266-I270 WeakPolarHBondContact O-CB 3.41Å; D266-I270 VanDerWaalsContact O-CG1 3.26Å; D266-I270 WeakPolarHBondContact O-CG1 3.39Å; D266-I270 PolarHBondContact O-N 3.21Å; A267-I270 PolarHBondContact O-N 3.34Å; I270-A272 PolarHBondContact O-N 2.89Å; I270-S273 PolarHBondContact O-N 3.39Å; I270-S273 VanDerWaalsContact O-N 3.15Å; I270-S273 PolarHBondContact O-OG 3.49Å; I270-V274 HydrophobicContact CG2-CG2 4.28Å; I270-V274 WeakPolarHBondContact O-CG2 3.49Å; I270-V274 PolarHBondContact O-N 3.05Å
271L92.5Very high92.4Very high4 Ų438.6 Ų38.62%0.02121%0.205CC..Hα-helixtrans-61.7-44-177.9-173.265.1000111.6V112 L118 F214 V218 L247 L250 A267 T268 S273 V274 L275V112-L271 HydrophobicContact CG1-CD2 3.54Å; V112-L271 HydrophobicContact CG2-CD2 4.16Å; L118-L271 HydrophobicContact CD1-CD2 4.29Å; F214-L271 HydrophobicContact CE2-CB 4.04Å; F214-L271 HydrophobicContact CE2-CD1 4.31Å; F214-L271 HydrophobicContact CE2-CD2 4.47Å; F214-L271 HydrophobicContact CE2-CG 4.5Å; F214-L271 HydrophobicContact CZ-CB 4.14Å; V218-L271 HydrophobicContact CG2-CD1 4.36Å; L247-L271 HydrophobicContact CD1-CD1 4.03Å; L250-L271 HydrophobicContact CD1-CD2 3.41Å; L250-L271 VanDerWaalsContact CD1-CD2 3.41Å; L250-L271 HydrophobicContact CG-CD2 3.94Å; A267-L271 WeakPolarHBondContact O-CB 3.26Å; A267-L271 PolarHBondContact O-N 3.14Å; T268-L271 PolarHBondContact O-N 3.34Å; L271-S273 VanDerWaalsContact C-N 3.3Å; L271-S273 PolarHBondContact O-N 3.27Å; L271-V274 PolarHBondContact O-N 3.27Å; L271-L275 HydrophobicContact CD1-CD1 4.15Å; L271-L275 HydrophobicContact CD1-CD2 4.49Å; L271-L275 HydrophobicContact CD1-CG 4.02Å; L271-L275 HydrophobicContact CD2-CD1 4.25Å; L271-L275 HydrophobicContact CG-CD1 3.78Å; L271-L275 HydrophobicContact CG-CG 4.09Å; L271-L275 WeakPolarHBondContact O-CB 3.19Å; L271-L275 VanDerWaalsContact O-CG 3.3Å; L271-L275 WeakPolarHBondContact O-CG 3.39Å; L271-L275 PolarHBondContact O-N 3.29Å
272A93.3Very high92.5Very high8 Ų838 Ų387%0.06620%0.201CC..Hα-helixtrans-57.7-43.217600000111.9F120 T268 I270 Q276F120-A272 HydrophobicContact CD1-CB 4.38Å; F120-A272 HydrophobicContact CE1-CB 4.39Å; T268-A272 WeakPolarHBondContact O-CB 3.46Å; T268-A272 PolarHBondContact O-N 3.38Å; I270-A272 PolarHBondContact O-N 2.89Å; A272-Q276 WeakPolarHBondContact O-CB 3.35Å; A272-Q276 PolarHBondContact O-N 2.92Å; A272-Q276 VanDerWaalsContact O-N 3.08Å
273S92.1Very high92.7Very high64 Ų6436 Ų3645%0.44818%0.183SC..Hα-helixtrans-67.6-38.4177.775.90000113.1A269 I270 L271 K277A269-S273 PolarHBondContact O-N 2.98Å; A269-S273 VanDerWaalsContact O-N 3.12Å; I270-S273 PolarHBondContact O-N 3.39Å; I270-S273 VanDerWaalsContact O-N 3.15Å; I270-S273 PolarHBondContact O-OG 3.49Å; L271-S273 VanDerWaalsContact C-N 3.3Å; L271-S273 PolarHBondContact O-N 3.27Å; S273-K277 PolarHBondContact O-N 2.86Å; S273-K277 VanDerWaalsContact O-N 3.15Å
274V92.8Very high92.9Very high25 Ų2541.3 Ų41.315%0.15220%0.201CC..Hα-helixtrans-71.3-44.9179173.30000110.8L199 V218 L221 I270 L271 Q276 K277 F278L199-V274 HydrophobicContact CD2-CG2 4.2Å; V218-V274 HydrophobicContact CG1-CB 4.37Å; V218-V274 HydrophobicContact CG1-CG1 4.01Å; V218-V274 HydrophobicContact CG1-CG2 3.88Å; L221-V274 HydrophobicContact CD1-CG1 4.17Å; I270-V274 HydrophobicContact CG2-CG2 4.28Å; I270-V274 WeakPolarHBondContact O-CG2 3.49Å; I270-V274 PolarHBondContact O-N 3.05Å; L271-V274 PolarHBondContact O-N 3.27Å; V274-Q276 VanDerWaalsContact C-N 3.31Å; V274-Q276 PolarHBondContact O-N 2.76Å; V274-K277 PolarHBondContact O-N 2.79Å; V274-F278 VanDerWaalsContact O-CB 3.23Å; V274-F278 WeakPolarHBondContact O-CB 3.24Å; V274-F278 PolarHBondContact O-N 2.83Å
275L94.6Very high92.9Very high1 Ų142 Ų421%0.00521%0.206CC..Hα-helixtrans-63.1-38.7178.3-72177.1000111.9V110 V112 L118 F120 L221 L247 L271 F278 G279 V294V110-L275 HydrophobicContact CB-CD2 4.4Å; V110-L275 HydrophobicContact CG1-CD2 3.86Å; V110-L275 HydrophobicContact CG2-CD2 4.35Å; V112-L275 HydrophobicContact CG2-CD1 3.87Å; L118-L275 HydrophobicContact CD1-CD1 3.93Å; F120-L275 HydrophobicContact CE1-CB 3.93Å; F120-L275 HydrophobicContact CE1-CD1 4.17Å; F120-L275 HydrophobicContact CZ-CD1 4.21Å; L221-L275 HydrophobicContact CD1-CD2 3.79Å; L247-L275 HydrophobicContact CD1-CD2 4.36Å; L271-L275 HydrophobicContact CD1-CD1 4.15Å; L271-L275 HydrophobicContact CD1-CD2 4.49Å; L271-L275 HydrophobicContact CD1-CG 4.02Å; L271-L275 HydrophobicContact CD2-CD1 4.25Å; L271-L275 HydrophobicContact CG-CD1 3.78Å; L271-L275 HydrophobicContact CG-CG 4.09Å; L271-L275 WeakPolarHBondContact O-CB 3.19Å; L271-L275 VanDerWaalsContact O-CG 3.3Å; L271-L275 WeakPolarHBondContact O-CG 3.39Å; L271-L275 PolarHBondContact O-N 3.29Å; L275-F278 PolarHBondContact O-N 2.97Å; L275-G279 PolarHBondContact O-N 3.41Å; L275-V294 HydrophobicContact CD1-CG1 4.25Å
276Q94Very high93Very high12 Ų1234 Ų346%0.05618%0.176CC..Hα-helixtrans-58.4-51.7172.7-17864.742.300111Q122 A272 V274 G279 E280Q122-Q276 PolarHBondContact O-OE1 2.82Å; Q122-Q276 VanDerWaalsContact O-OE1 3.09Å; A272-Q276 WeakPolarHBondContact O-CB 3.35Å; A272-Q276 PolarHBondContact O-N 2.92Å; A272-Q276 VanDerWaalsContact O-N 3.08Å; V274-Q276 VanDerWaalsContact C-N 3.31Å; V274-Q276 PolarHBondContact O-N 2.76Å; Q276-G279 PolarHBondContact O-N 2.85Å; Q276-E280 PolarHBondContact NE2-OE1 3.28Å; Q276-E280 WeakPolarHBondContact O-CG 3.44Å; Q276-E280 PolarHBondContact O-N 2.98Å
277K93.6Very high93Very high128 Ų12833.6 Ų33.656%0.55719%0.185SC*.Hα-helixtrans-63.3-43.4179.4-176178.4177.4-176.90112.1S273 V274 G279 E280 D281S273-K277 PolarHBondContact O-N 2.86Å; S273-K277 VanDerWaalsContact O-N 3.15Å; V274-K277 PolarHBondContact O-N 2.79Å; K277-G279 VanDerWaalsContact C-N 3.34Å; K277-G279 PolarHBondContact O-N 2.87Å; K277-E280 PolarHBondContact O-N 3.1Å; K277-D281 WeakPolarHBondContact O-CB 3.36Å; K277-D281 PolarHBondContact O-N 3.14Å
278F94.4Very high93Very high6 Ų637.7 Ų37.73%0.02621%0.207CC..Hα-helixtrans-58.9-46.1176.4174.9-102.9000111.1V108 V110 L221 I224 T225 L245 V274 L275 E280 D281 M282V108-F278 HydrophobicContact CG1-CE1 3.64Å; V108-F278 HydrophobicContact CG1-CZ 4.21Å; V110-F278 HydrophobicContact CG2-CE1 4.21Å; L221-F278 HydrophobicContact CB-CD2 4.14Å; L221-F278 HydrophobicContact CB-CE2 4.43Å; L221-F278 HydrophobicContact CD2-CD2 4.45Å; L221-F278 HydrophobicContact CD2-CE1 4.28Å; L221-F278 HydrophobicContact CD2-CE2 4.24Å; L221-F278 HydrophobicContact CD2-CZ 4.15Å; I224-F278 HydrophobicContact CG2-CE2 4.38Å; T225-F278 WeakPolarHBondContact OG1-CD2 3.5Å; T225-F278 WeakPolarHBondContact OG1-CE2 3.5Å; L245-F278 HydrophobicContact CD1-CE1 4.17Å; L245-F278 HydrophobicContact CD1-CZ 3.85Å; V274-F278 VanDerWaalsContact O-CB 3.23Å; V274-F278 WeakPolarHBondContact O-CB 3.24Å; V274-F278 PolarHBondContact O-N 2.83Å; L275-F278 PolarHBondContact O-N 2.97Å; F278-E280 PolarHBondContact O-N 3.09Å; F278-D281 PolarHBondContact O-N 2.83Å; F278-M282 HydrophobicContact CD1-CG 4.46Å; F278-M282 HydrophobicContact CD2-CG 4.34Å; F278-M282 HydrophobicContact CE1-CG 4.14Å; F278-M282 HydrophobicContact CE2-CG 3.99Å; F278-M282 HydrophobicContact CE2-SD 4.36Å; F278-M282 HydrophobicContact CZ-CG 3.88Å; F278-M282 HydrophobicContact CZ-SD 4.4Å; F278-M282 WeakPolarHBondContact O-CB 3.47Å; F278-M282 VanDerWaalsContact O-CG 3.28Å; F278-M282 WeakPolarHBondContact O-CG 3.49Å; F278-M282 PolarHBondContact O-N 3.3Å
279G93.9Very high93Very high0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-61.9-43.2176.300000112.9L275 Q276 K277 Y283L275-G279 PolarHBondContact O-N 3.41Å; Q276-G279 PolarHBondContact O-N 2.85Å; K277-G279 VanDerWaalsContact C-N 3.34Å; K277-G279 PolarHBondContact O-N 2.87Å; G279-Y283 WeakPolarHBondContact O-CB 3.41Å; G279-Y283 PolarHBondContact O-N 2.77Å
280E94.6Very high93.1Very high47 Ų4737.8 Ų37.822%0.2219%0.19CC..Hα-helixtrans-63.4-43175-73.9175-152.200112.8Q276 K277 F278 Y283 R284Q276-E280 PolarHBondContact NE2-OE1 3.28Å; Q276-E280 WeakPolarHBondContact O-CG 3.44Å; Q276-E280 PolarHBondContact O-N 2.98Å; K277-E280 PolarHBondContact O-N 3.1Å; F278-E280 PolarHBondContact O-N 3.09Å; E280-Y283 PolarHBondContact O-N 3.18Å; E280-R284 WeakPolarHBondContact O-CB 3.43Å; E280-R284 VanDerWaalsContact O-CG 3.25Å; E280-R284 WeakPolarHBondContact O-CG 3.45Å; E280-R284 PolarHBondContact O-N 3.17Å; E280-R284 IonicContact OE2-NH2 3.28Å
281D93.9Very high93.3Very high35 Ų3537.3 Ų37.319%0.18719%0.188CC..Hα-helixtrans-67.3-42.6180-74.5-22000111.2T225 K277 F278 R284 L285T225-D281 HydrophobicContact CG2-CB 3.69Å; K277-D281 WeakPolarHBondContact O-CB 3.36Å; K277-D281 PolarHBondContact O-N 3.14Å; F278-D281 PolarHBondContact O-N 2.83Å; D281-R284 PolarHBondContact O-N 3.24Å; D281-L285 VanDerWaalsContact O-CB 3.24Å; D281-L285 WeakPolarHBondContact O-CB 3.32Å; D281-L285 PolarHBondContact O-N 2.86Å
282M93.6Very high93.5Very high0 Ų037.2 Ų37.20%019%0.187CC..Hα-helixtrans-63.3-45.5173.7-71.4-62-74.500111.4V108 L228 Y243 F278 R284 L285 Y286 V292V108-M282 HydrophobicContact CG2-CB 4.46Å; V108-M282 HydrophobicContact CG2-CE 3.61Å; V108-M282 HydrophobicContact CG2-CG 4.49Å; L228-M282 HydrophobicContact CD1-CE 3.69Å; L228-M282 HydrophobicContact CD1-SD 3.57Å; L228-M282 VanDerWaalsContact CD1-SD 3.57Å; Y243-M282 HydrophobicContact CD2-CE 3.85Å; Y243-M282 HydrophobicContact CE1-CE 4.42Å; Y243-M282 HydrophobicContact CE2-CE 3.67Å; Y243-M282 HydrophobicContact CG-CE 4.29Å; F278-M282 HydrophobicContact CD1-CG 4.46Å; F278-M282 HydrophobicContact CD2-CG 4.34Å; F278-M282 HydrophobicContact CE1-CG 4.14Å; F278-M282 HydrophobicContact CE2-CG 3.99Å; F278-M282 HydrophobicContact CE2-SD 4.36Å; F278-M282 HydrophobicContact CZ-CG 3.88Å; F278-M282 HydrophobicContact CZ-SD 4.4Å; F278-M282 WeakPolarHBondContact O-CB 3.47Å; F278-M282 VanDerWaalsContact O-CG 3.28Å; F278-M282 WeakPolarHBondContact O-CG 3.49Å; F278-M282 PolarHBondContact O-N 3.3Å; M282-R284 VanDerWaalsContact C-N 3.32Å; M282-R284 PolarHBondContact O-N 2.53Å; M282-L285 PolarHBondContact O-N 2.91Å; M282-Y286 HydrophobicContact CE-CE2 3.88Å; M282-Y286 WeakPolarHBondContact O-CD2 3.39Å; M282-Y286 PolarHBondContact O-N 3.22Å; M282-V292 HydrophobicContact CB-CG2 4.4Å
283Y93.9Very high93.6Very high36 Ų3636.8 Ų36.814%0.14118%0.184CC..Hα-helixtrans-58.5-43.6177.7-172.9-112.2000112.3Q55 A56 P57 G279 E280 G287 N288 A290Q55-Y283 HydrophobicContact CB-CD2 3.9Å; Q55-Y283 HydrophobicContact CB-CG 4.03Å; Q55-Y283 HydrophobicContact CG-CG 4.32Å; A56-Y283 PolarHBondContact O-OH 3.45Å; P57-Y283 HydrophobicContact CG-CE2 4.44Å; G279-Y283 WeakPolarHBondContact O-CB 3.41Å; G279-Y283 PolarHBondContact O-N 2.77Å; E280-Y283 PolarHBondContact O-N 3.18Å; Y283-G287 PolarHBondContact O-N 3.49Å; Y283-N288 HydrophobicContact CD1-CB 4.42Å; Y283-N288 HydrophobicContact CE1-CB 3.68Å; Y283-N288 WeakPolarHBondContact CE1-OD1 3.18Å; Y283-N288 HydrophobicContact CE2-CB 4.15Å; Y283-N288 WeakPolarHBondContact O-CA 3.4Å; Y283-N288 PolarHBondContact O-N 2.88Å; Y283-A290 VanDerWaalsContact CD2-O 3.24Å; Y283-A290 WeakPolarHBondContact CD2-O 3.34Å; Y283-A290 WeakPolarHBondContact CE2-O 3.23Å
284R93.4Very high93.8Very high156 Ų15633.8 Ų33.859%0.58916%0.163SC*.Hα-helixtrans-67.4-39.2175.8-72.7172.5-175.51589.3112.6E280 D281 M282 Y286 G287E280-R284 WeakPolarHBondContact O-CB 3.43Å; E280-R284 VanDerWaalsContact O-CG 3.25Å; E280-R284 WeakPolarHBondContact O-CG 3.45Å; E280-R284 PolarHBondContact O-N 3.17Å; E280-R284 IonicContact OE2-NH2 3.28Å; D281-R284 PolarHBondContact O-N 3.24Å; M282-R284 VanDerWaalsContact C-N 3.32Å; M282-R284 PolarHBondContact O-N 2.53Å; R284-Y286 VanDerWaalsContact C-N 3.3Å; R284-Y286 PolarHBondContact O-N 2.71Å; R284-G287 PolarHBondContact O-N 2.91Å; R284-G287 VanDerWaalsContact O-N 3.08Å
285L92.4Very high93.9Very high32 Ų3232.6 Ų32.617%0.16816%0.156CC..Hα-helixtrans-62-38.1-177.6-173.2131.2000112.2L228 Q229 A235 D281 M282 G287L228-L285 HydrophobicContact CB-CD1 3.66Å; L228-L285 HydrophobicContact CB-CD2 4.07Å; L228-L285 HydrophobicContact CD1-CD2 4.47Å; Q229-L285 HydrophobicContact CG-CD1 3.88Å; A235-L285 HydrophobicContact CB-CD2 3.24Å; A235-L285 HydrophobicContact CB-CG 4.21Å; D281-L285 VanDerWaalsContact O-CB 3.24Å; D281-L285 WeakPolarHBondContact O-CB 3.32Å; D281-L285 PolarHBondContact O-N 2.86Å; M282-L285 PolarHBondContact O-N 2.91Å; L285-G287 VanDerWaalsContact C-N 3.31Å; L285-G287 PolarHBondContact O-N 2.89Å
286Y92.3Very high93.9Very high4 Ų432.5 Ų32.52%0.01616%0.155CC..THydrogen-bonded Turntrans-876.8176.1-75.9-86.5000114.4R105 A106 A235 D241 Y243 M282 R284 R289 A290R105-Y286 HydrophobicContact CB-CD1 3.9Å; A106-Y286 HydrophobicContact CB-CD1 3.72Å; A106-Y286 HydrophobicContact CB-CD2 3.77Å; A106-Y286 HydrophobicContact CB-CE1 3.6Å; A106-Y286 HydrophobicContact CB-CE2 3.68Å; A106-Y286 HydrophobicContact CB-CG 3.8Å; A235-Y286 HydrophobicContact CB-CD1 3.89Å; A235-Y286 HydrophobicContact CB-CD2 4.4Å; A235-Y286 HydrophobicContact CB-CE1 3.52Å; A235-Y286 HydrophobicContact CB-CE2 4.05Å; A235-Y286 HydrophobicContact CB-CG 4.31Å; D241-Y286 HydrophobicContact CB-CE1 4.25Å; D241-Y286 WeakPolarHBondContact OD2-CE1 3.23Å; D241-Y286 VanDerWaalsContact OD2-CZ 3.28Å; D241-Y286 PolarHBondContact OD2-OH 3.22Å; Y243-Y286 HydrophobicContact CE2-CE2 4.3Å; Y243-Y286 WeakPolarHBondContact CE2-OH 3.35Å; Y243-Y286 PolarHBondContact OH-OH 2.59Å; M282-Y286 HydrophobicContact CE-CE2 3.88Å; M282-Y286 WeakPolarHBondContact O-CD2 3.39Å; M282-Y286 PolarHBondContact O-N 3.22Å; R284-Y286 VanDerWaalsContact C-N 3.3Å; R284-Y286 PolarHBondContact O-N 2.71Å; Y286-R289 PolarHBondContact O-NE 3.35Å; Y286-A290 HydrophobicContact CD2-CB 4.21Å; Y286-A290 HydrophobicContact CG-CB 4.23Å
287G90.9Very high93.8Very high47 Ų4732 Ų3249%0.48515%0.153SC..THydrogen-bonded Turntrans65.447179.300000112.7Y283 R284 L285 R289Y283-G287 PolarHBondContact O-N 3.49Å; R284-G287 PolarHBondContact O-N 2.91Å; R284-G287 VanDerWaalsContact O-N 3.08Å; L285-G287 VanDerWaalsContact C-N 3.31Å; L285-G287 PolarHBondContact O-N 2.89Å; G287-R289 PolarHBondContact O-N 3.19Å
288N92.2Very high93.5Very high87 Ų8730.5 Ų30.547%0.46515%0.146SC..SBendtrans64.925.2178.6-53.9-13.9000113.9P57 Y283P57-N288 WeakPolarHBondContact CB-O 3.43Å; Y283-N288 HydrophobicContact CD1-CB 4.42Å; Y283-N288 HydrophobicContact CE1-CB 3.68Å; Y283-N288 WeakPolarHBondContact CE1-OD1 3.18Å; Y283-N288 HydrophobicContact CE2-CB 4.15Å; Y283-N288 WeakPolarHBondContact O-CA 3.4Å; Y283-N288 PolarHBondContact O-N 2.88Å
289R92.2Very high92.9Very high92 Ų9233.6 Ų33.635%0.34717%0.166SC..  trans-118.822.8179.4-62.6179.6-64.4168.25.6112.2F59 P104 R105 Y286 G287F59-R289 HydrophobicContact CE1-CG 4.28Å; F59-R289 HydrophobicContact CZ-CG 4.43Å; P104-R289 CarbonylContact C-O 3.56Å; P104-R289 WeakPolarHBondContact CA-O 3.38Å; P104-R289 WeakPolarHBondContact CB-O 3.22Å; R105-R289 HydrophobicContact CB-CB 4.26Å; R105-R289 HydrophobicContact CG-CB 4.04Å; R105-R289 PolarHBondContact N-O 2.92Å; Y286-R289 PolarHBondContact O-NE 3.35Å; G287-R289 PolarHBondContact O-N 3.19Å
290A93.6Very high92.3Very high0 Ų035.6 Ų35.60%018%0.175CC..EExtended strand (participates in β ladder)trans-106.6147.2172.700000110.5P57 A106 Y283 Y286P57-A290 WeakPolarHBondContact CD-O 3.26Å; A106-A290 HydrophobicContact CB-CB 4Å; A106-A290 CarbonylContact O-C 3.57Å; A106-A290 VanDerWaalsContact O-CA 3.28Å; A106-A290 WeakPolarHBondContact O-CA 3.33Å; Y283-A290 VanDerWaalsContact CD2-O 3.24Å; Y283-A290 WeakPolarHBondContact CD2-O 3.34Å; Y283-A290 WeakPolarHBondContact CE2-O 3.23Å; Y286-A290 HydrophobicContact CD2-CB 4.21Å; Y286-A290 HydrophobicContact CG-CB 4.23Å
291V95.6Very high91.1Very high0 Ų038.1 Ų38.10%019%0.186CC..EExtended strand (participates in β ladder)trans-105130.4166.4177.60000107.3Q55 P57 V60 F62 P104 A106 V108 E293Q55-V291 WeakPolarHBondContact O-CA 3.39Å; P57-V291 HydrophobicContact CG-CG2 4.32Å; V60-V291 HydrophobicContact CG1-CG2 4.49Å; V60-V291 HydrophobicContact CG2-CG2 4.32Å; F62-V291 HydrophobicContact CE2-CG1 4.29Å; F62-V291 HydrophobicContact CZ-CG1 4.37Å; P104-V291 HydrophobicContact CB-CG2 4Å; P104-V291 HydrophobicContact CG-CG2 3.62Å; A106-V291 PolarHBondContact O-N 3.29Å; V108-V291 PolarHBondContact N-O 3.13Å; V291-E293 HydrophobicContact CG1-CG 3.86Å; V291-E293 WeakPolarHBondContact CG1-OE1 3.43Å
292V96.5Very high89.8Confident1 Ų140.2 Ų40.21%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-122.4120.2179.3-174.10000109.1L54 Q55 V108 M282L54-V292 HydrophobicContact CB-CB 4.44Å; L54-V292 HydrophobicContact CB-CG1 4.35Å; L54-V292 HydrophobicContact CD1-CG1 4.3Å; L54-V292 PolarHBondContact N-O 3.5Å; Q55-V292 HydrophobicContact CB-CB 4.15Å; Q55-V292 HydrophobicContact CB-CG2 4.16Å; Q55-V292 PolarHBondContact N-O 3.17Å; Q55-V292 PolarHBondContact O-N 3.36Å; V108-V292 HydrophobicContact CB-CG1 4.28Å; V108-V292 HydrophobicContact CB-CG2 4.21Å; V108-V292 HydrophobicContact CG1-CG1 4.31Å; V108-V292 HydrophobicContact CG2-CG2 4.43Å; V108-V292 CarbonylContact O-C 3.55Å; V108-V292 WeakPolarHBondContact O-CA 3.2Å; M282-V292 HydrophobicContact CB-CG2 4.4Å
293E95.9Very high88.1Confident0 Ų043.9 Ų43.90%023%0.233CC..EExtended strand (participates in β ladder)trans-125.8141.4-171.9-66.4166.2-171.600109.4F51 T52 V53 V78 N107 V108 L109 V110 V291F51-E293 HydrophobicContact CE2-CB 3.92Å; F51-E293 HydrophobicContact CE2-CG 4.13Å; F51-E293 HydrophobicContact CZ-CB 4.14Å; F51-E293 HydrophobicContact CZ-CG 3.83Å; T52-E293 CarbonylContact O-C 3.59Å; T52-E293 WeakPolarHBondContact O-CA 3.41Å; V53-E293 HydrophobicContact CG2-CG 4.39Å; V78-E293 WeakPolarHBondContact CG2-OE2 3Å; N107-E293 PolarHBondContact ND2-OE1 3.16Å; V108-E293 PolarHBondContact O-N 3.22Å; L109-E293 HydrophobicContact CD1-CB 3.61Å; V110-E293 PolarHBondContact N-O 3.44Å; V291-E293 HydrophobicContact CG1-CG 3.86Å; V291-E293 WeakPolarHBondContact CG1-OE1 3.43Å
294V95.9Very high86.4Confident0 Ų049.3 Ų49.30%026%0.263CS..EExtended strand (participates in β ladder)trans-128.2124.6176.3-176.10000109.3T52 L54 V110 V112 F120 L275 T296T52-V294 PolarHBondContact N-O 3.24Å; T52-V294 PolarHBondContact O-N 3.08Å; L54-V294 HydrophobicContact CD1-CG2 3.48Å; L54-V294 VanDerWaalsContact CD1-CG2 3.48Å; L54-V294 HydrophobicContact CG-CG2 3.84Å; V110-V294 HydrophobicContact CB-CG2 4.35Å; V110-V294 CarbonylContact O-C 3.55Å; V110-V294 VanDerWaalsContact O-CA 3.23Å; V110-V294 WeakPolarHBondContact O-CA 3.45Å; V112-V294 HydrophobicContact CG2-CG1 3.96Å; F120-V294 HydrophobicContact CE2-CB 4.43Å; F120-V294 HydrophobicContact CE2-CG1 4.41Å; F120-V294 HydrophobicContact CZ-CB 4.21Å; F120-V294 HydrophobicContact CZ-CG1 3.97Å; F120-V294 HydrophobicContact CZ-CG2 4.24Å; L275-V294 HydrophobicContact CD1-CG1 4.25Å; V294-T296 HydrophobicContact CG1-CG2 4.33Å
295V94.8Very high84.3Confident0 Ų047.4 Ų47.40%027%0.269CS..EExtended strand (participates in β ladder)trans-103.7122173.4-173.20000107.2S50 F51 V74 L109 V110 V111 V112 L129 F135 V297S50-V295 CarbonylContact O-C 3.57Å; S50-V295 WeakPolarHBondContact O-CA 3.28Å; F51-V295 HydrophobicContact CD2-CG2 3.73Å; F51-V295 HydrophobicContact CE2-CG2 4.27Å; V74-V295 HydrophobicContact CG1-CG2 4.15Å; L109-V295 HydrophobicContact CD1-CG2 3.69Å; L109-V295 HydrophobicContact CG-CG2 4.45Å; V110-V295 PolarHBondContact O-N 3.34Å; V111-V295 CarbonylContact C-O 3.52Å; V111-V295 WeakPolarHBondContact CA-O 3.18Å; V111-V295 HydrophobicContact CG1-CB 4.49Å; V111-V295 HydrophobicContact CG2-CB 4.32Å; V111-V295 HydrophobicContact CG2-CG2 4.45Å; V112-V295 PolarHBondContact N-O 3.12Å; L129-V295 HydrophobicContact CD2-CG1 3.78Å; F135-V295 HydrophobicContact CZ-CG1 4.45Å; F135-V295 HydrophobicContact CZ-CG2 4.09Å; V295-V297 HydrophobicContact CG1-CG2 3.81Å
296T93.6Very high82.3Confident0 Ų056.8 Ų56.80%030%0.302CS..EExtended strand (participates in β ladder)trans-103.2125.1172.459.90000109.4D49 S50 V112 V115 D116 L118 V294D49-T296 CarbonylContact C-O 3.46Å; D49-T296 VanDerWaalsContact CA-O 3.23Å; D49-T296 WeakPolarHBondContact CA-O 3.31Å; D49-T296 WeakPolarHBondContact CB-O 3.44Å; S50-T296 PolarHBondContact N-O 3.42Å; S50-T296 PolarHBondContact N-OG1 2.86Å; S50-T296 PolarHBondContact O-N 3.26Å; S50-T296 PolarHBondContact O-OG1 3.25Å; S50-T296 PolarHBondContact OG-OG1 2.88Å; V112-T296 WeakPolarHBondContact O-CA 3.39Å; V115-T296 HydrophobicContact CG1-CG2 4.09Å; D116-T296 PolarHBondContact O-OG1 2.95Å; L118-T296 HydrophobicContact CB-CG2 4.1Å; L118-T296 HydrophobicContact CD1-CG2 3.84Å; L118-T296 HydrophobicContact CG-CG2 3.77Å; V294-T296 HydrophobicContact CG1-CG2 4.33Å
297V91.6Very high80.2Confident0 Ų065.6 Ų65.60%034%0.341CS..EExtended strand (participates in β ladder)trans-130.4130.1-179.4178.50000109.1V112 R113 G114 V115 L129 P132 V295 F300V112-V297 PolarHBondContact O-N 3.45Å; R113-V297 CarbonylContact C-O 3.53Å; R113-V297 VanDerWaalsContact CA-O 3.25Å; R113-V297 WeakPolarHBondContact CA-O 3.44Å; G114-V297 PolarHBondContact N-O 3.46Å; V115-V297 PolarHBondContact N-O 2.93Å; V115-V297 CarbonylContact O-C 3.58Å; V115-V297 VanDerWaalsContact O-C 3.3Å; V115-V297 PolarHBondContact O-N 3.32Å; L129-V297 HydrophobicContact CD2-CG2 3.93Å; P132-V297 HydrophobicContact CB-CG1 3.83Å; P132-V297 HydrophobicContact CB-CG2 4.37Å; V295-V297 HydrophobicContact CG1-CG2 3.81Å; V297-F300 HydrophobicContact CG1-CD1 3.95Å; V297-F300 HydrophobicContact CG1-CE1 4.21Å; V297-F300 HydrophobicContact CG1-CG 4.36Å; V297-F300 HydrophobicContact CG2-CE1 4.1Å
298K87.3Confident78.1Confident97 Ų9768.2 Ų68.242%0.42235%0.352SS..SBendtrans-65.1-55.3173.5-175-173.2-176.4167.80111D49 G114 D116D49-K298 WeakPolarHBondContact OD1-CB 3.21Å; D49-K298 PolarHBondContact OD1-N 2.9Å; G114-K298 VanDerWaalsContact CA-O 3.31Å; G114-K298 WeakPolarHBondContact CA-O 3.35Å; G114-K298 PolarHBondContact N-O 3.28Å; D116-K298 WeakPolarHBondContact OD1-CB 3.26Å; D116-K298 VanDerWaalsContact OD1-CD 3.27Å; D116-K298 WeakPolarHBondContact OD1-CD 3.17Å; D116-K298 WeakPolarHBondContact OD1-CG 3.49Å
299T82.2Confident76.2Confident72 Ų7275.1 Ų75.144%0.44237%0.371SS..SBendtrans-157.1134.9177.546.60000107.7E301T299-E301 PolarHBondContact O-N 3.37Å
300F81Confident74.2Confident41 Ų4176 Ų7618%0.1839%0.391CS..PPolyproline II helixtrans-64.1131.1173.8-72.6-61.4000111.2V111 R113 P132 V133 P134 V297V111-F300 HydrophobicContact CG1-CZ 3.92Å; R113-F300 HydrophobicContact CG-CE2 4.13Å; P132-F300 CarbonylContact O-C 3.51Å; P132-F300 WeakPolarHBondContact O-CA 3.46Å; V133-F300 VanDerWaalsContact C-CD1 3.43Å; V133-F300 WeakPolarHBondContact O-CE1 3.47Å; P134-F300 HydrophobicContact CB-CD1 4.49Å; P134-F300 HydrophobicContact CB-CD2 4.41Å; P134-F300 HydrophobicContact CB-CG 4.33Å; P134-F300 HydrophobicContact CG-CB 3.71Å; P134-F300 HydrophobicContact CG-CD1 4.23Å; P134-F300 HydrophobicContact CG-CD2 4.17Å; P134-F300 HydrophobicContact CG-CG 3.81Å; V297-F300 HydrophobicContact CG1-CD1 3.95Å; V297-F300 HydrophobicContact CG1-CE1 4.21Å; V297-F300 HydrophobicContact CG1-CG 4.36Å; V297-F300 HydrophobicContact CG2-CE1 4.1Å
301E70.9Confident72Confident100 Ų10083.6 Ų83.647%0.46743%0.43SS..PPolyproline II helixtrans-83.8148.3174.4-68.9-171.8165.900110.7P132 T299P132-E301 HydrophobicContact CG-CB 4.45Å; P132-E301 HydrophobicContact CG-CG 4.03Å; P132-E301 PolarHBondContact O-N 3.5Å; T299-E301 PolarHBondContact O-N 3.37Å
302A66.3Low69.8Low79 Ų7991.1 Ų91.165%0.65347%0.47SS*.PPolyproline II helixtrans-67.3135.7172.800000109.5L304A302-L304 PolarHBondContact O-N 2.95Å
303P58.8Low67.2Low78 Ų78100 Ų10051%0.50651%0.511SS..  trans-60.8113.6-176.323.2-32.9000110.7V133 T305V133-P303 HydrophobicContact CG1-CB 4.22Å; P303-T305 VanDerWaalsContact C-N 3.32Å; P303-T305 PolarHBondContact O-N 3.13Å
304L57.5Low64.7Low149 Ų149104.1 Ų104.178%0.7854%0.54SS*.  trans-77.979180-66.3178.6000110.4A302 R306A302-L304 PolarHBondContact O-N 2.95Å; L304-R306 PolarHBondContact O-N 3.03Å
305T49.4Very low62.5Low117 Ų117114.3 Ų114.372%0.71859%0.585SS**  trans-75.896.2174.156.30000111.1P303 K307P303-T305 VanDerWaalsContact C-N 3.32Å; P303-T305 PolarHBondContact O-N 3.13Å; T305-K307 PolarHBondContact O-N 3.38Å; T305-K307 VanDerWaalsContact O-N 3.09Å
306R51Low60.3Low228 Ų228120 Ų12086%0.8661%0.611SS**  trans-75.398.2171-171.5-178.6-178.9-170.10.6110L304 S308L304-R306 PolarHBondContact O-N 3.03Å; R306-S308 PolarHBondContact O-N 3.34Å
307K46.8Very low58.3Low190 Ų190127.7 Ų127.783%0.82665%0.65SS**  trans-68.495.3164.5-65-152.3180-169.90109.7T305 R309T305-K307 PolarHBondContact O-N 3.38Å; T305-K307 VanDerWaalsContact O-N 3.09Å; K307-R309 PolarHBondContact O-N 3.04Å
308S46.8Very low56.3Low102 Ų102132.1 Ų132.171%0.71368%0.682SS**PPolyproline II helixtrans-66.3120.2174.1-168.10000109.9R306R306-S308 PolarHBondContact O-N 3.34Å
309R53.3Low54.9Low231 Ų231130.4 Ų130.487%0.87268%0.677SS**PPolyproline II helixtrans-90.4119.9167.1-68.5-176177.7-162-0.4107.9K307K307-R309 PolarHBondContact O-N 3.04Å
310S48.8Very low53.7Low110 Ų110132.9 Ų132.977%0.76969%0.694SS**PPolyproline II helixtrans-80.6131.9171.1-176.90000110
311I49.1Very low52.8Low160 Ų160134.8 Ų134.882%0.82173%0.726SS**  trans-90.31-170.3-67.3178.5000113.1E313I311-E313 PolarHBondContact O-N 3.03Å
312L47.5Very low52.3Low158 Ų158131.5 Ų131.583%0.82771%0.714SS**  trans-98.880.3179.5-66.1174000111.3S314L312-S314 PolarHBondContact O-N 2.58Å
313E42.4Very low52.1Low187 Ų187133.3 Ų133.387%0.87472%0.719SS**  trans-72.988170.4-170.4173.2-169.600109.8I311I311-E313 PolarHBondContact O-N 3.03Å
314S43.7Very low52.4Low88 Ų88138.6 Ų138.662%0.61573%0.73SS**  trans-74.3131.9165.360.20000109L312 Q316L312-S314 PolarHBondContact O-N 2.58Å; S314-Q316 VanDerWaalsContact O-CG 3.28Å; S314-Q316 WeakPolarHBondContact O-CG 3.41Å; S314-Q316 PolarHBondContact O-N 3.13Å
315K48.9Very low52.9Low214 Ų214133.9 Ų133.993%0.9371%0.706SS**  trans-47.4100.2178.1-147.4177-170.9-178.90111.1
316Q49.4Very low54Low120 Ų120133.3 Ų133.356%0.56170%0.698SS**  trans-82.5130.3-170.5-72.6179.8-54.500111.5S314 S318 N325S314-Q316 VanDerWaalsContact O-CG 3.28Å; S314-Q316 WeakPolarHBondContact O-CG 3.41Å; S314-Q316 PolarHBondContact O-N 3.13Å; Q316-S318 PolarHBondContact O-N 2.69Å; Q316-N325 WeakPolarHBondContact CB-ND2 3.14Å; Q316-N325 VanDerWaalsContact CD-ND2 3.28Å; Q316-N325 VanDerWaalsContact OE1-CB 3.27Å; Q316-N325 PolarHBondContact OE1-ND2 3.08Å
317I51.9Low54.7Low160 Ų160126.8 Ų126.882%0.82169%0.692SS**  trans-69111.1166.4-60.5164.1000106.5N319I317-N319 PolarHBondContact O-N 3.47Å
318S50.1Low55.9Low94 Ų94125.2 Ų125.266%0.65768%0.682SS**  trans-61.3120.6-176.853.10000111.5Q316Q316-S318 PolarHBondContact O-N 2.69Å
319N57.1Low57.2Low60 Ų60130.1 Ų130.132%0.32169%0.691SS.*  trans-69.3131173.4-90.4-37.5000111I317 G321I317-N319 PolarHBondContact O-N 3.47Å; N319-G321 PolarHBondContact O-N 3.14Å
320P56.7Low58.5Low124 Ų124127.3 Ų127.381%0.80568%0.681SS**THydrogen-bonded Turntrans-73.989.4176.530.1-32000109.6
321G62.8Low60Low82 Ų82126.4 Ų126.485%0.84567%0.668SS**THydrogen-bonded Turntrans153.6-7.917500000116.4N319N319-G321 PolarHBondContact O-N 3.14Å
322S60.7Low61.4Low31 Ų31128.7 Ų128.722%0.21767%0.672CS.*  trans-143.3130.6169.1770000111.4Y324 L326S322-Y324 PolarHBondContact O-N 3.41Å; S322-Y324 VanDerWaalsContact O-N 3.09Å; S322-L326 PolarHBondContact OG-N 3.18Å
323P61.8Low63.3Low116 Ų116126.9 Ų126.975%0.75366%0.66SS**THydrogen-bonded Turntrans-70.4-2.2-178.926.2-31.7000113.7
324Y64.8Low65.6Low189 Ų189123.7 Ų123.774%0.74164%0.641SS**THydrogen-bonded Turntrans-120.819.1-169.6-59.6-62.4000114.6S322 L326S322-Y324 PolarHBondContact O-N 3.41Å; S322-Y324 VanDerWaalsContact O-N 3.09Å; Y324-L326 PolarHBondContact O-N 3.03Å
325N68.4Low67.7Low51 Ų51122.5 Ų122.527%0.27364%0.636SS.*  trans44.743.3-179-93.3-21.9000113.4Q316Q316-N325 WeakPolarHBondContact CB-ND2 3.14Å; Q316-N325 VanDerWaalsContact CD-ND2 3.28Å; Q316-N325 VanDerWaalsContact OE1-CB 3.27Å; Q316-N325 PolarHBondContact OE1-ND2 3.08Å
326L71.6Confident69.7Low105 Ų105116.7 Ų116.755%0.5562%0.618SS.*PPolyproline II helixtrans-67144.6176.6-66.3160.6000108.8S322 Y324S322-L326 PolarHBondContact OG-N 3.18Å; Y324-L326 PolarHBondContact O-N 3.03Å
327A66.9Low71.7Confident90 Ų90114.8 Ų114.874%0.74461%0.611SS**PPolyproline II helixtrans-57.8150.1172.600000110.3K329A327-K329 PolarHBondContact O-N 2.93Å
328Y72.2Confident73.7Confident158 Ų158111.7 Ų111.762%0.6259%0.592SS**PPolyproline II helixtrans-59.5132171.1-109.3-91.8000109.2Y330Y328-Y330 WeakPolarHBondContact O-CD2 3.42Å; Y328-Y330 PolarHBondContact O-N 3.05Å
329K73.6Confident75.8Confident205 Ų205110.8 Ų110.889%0.89158%0.58SS**  trans-72.699.7174.8-66.6-174.9178.3-175.40108.3A327A327-K329 PolarHBondContact O-N 2.93Å
330Y79.9Confident77.6Confident171 Ų171113.2 Ų113.267%0.67159%0.591SS**  trans-77141.7168.4-75-87.6000109.6Y328 Y334Y328-Y330 WeakPolarHBondContact O-CD2 3.42Å; Y328-Y330 PolarHBondContact O-N 3.05Å; Y330-Y334 HydrophobicContact CD1-CD2 4.03Å; Y330-Y334 HydrophobicContact CD1-CE2 4.23Å; Y330-Y334 HydrophobicContact CD1-CG 4.22Å; Y330-Y334 HydrophobicContact CE1-CE2 4.3Å
331N81.4Confident79.4Confident92 Ų92111.1 Ų111.149%0.49258%0.576SS.*  trans-66.7136.6169.3-174.9-19.9000108.6Q333 Y334N331-Q333 PolarHBondContact O-N 3.16Å; N331-Q333 PolarHBondContact OD1-N 3.31Å; N331-Y334 WeakPolarHBondContact O-CB 3.45Å; N331-Y334 PolarHBondContact O-N 2.91Å
332F78Confident80.9Confident207 Ų207110.1 Ų110.191%0.90855%0.551SS**THydrogen-bonded Turntrans-57.1-31.9176.3-168.9-100.7000112.3Y334F332-Y334 PolarHBondContact O-N 3.09Å
333Q87.6Confident82.6Confident121 Ų121116.5 Ų116.557%0.56557%0.57SS**THydrogen-bonded Turntrans-83.211.6176.2-63.1-180-24.500113.8N331 A335 V336 I337N331-Q333 PolarHBondContact O-N 3.16Å; N331-Q333 PolarHBondContact OD1-N 3.31Å; Q333-A335 VanDerWaalsContact C-N 3.29Å; Q333-A335 PolarHBondContact O-N 3.47Å; Q333-V336 PolarHBondContact O-N 3.48Å; Q333-I337 HydrophobicContact CB-CD1 4.19Å; Q333-I337 HydrophobicContact CB-CG1 4.46Å; Q333-I337 WeakPolarHBondContact O-CG1 3.3Å; Q333-I337 PolarHBondContact O-N 3.44Å
334Y90.3Very high84.2Confident120 Ų120116.2 Ų116.247%0.47156%0.562SS.*Hα-helixtrans-53.5-44.6-176.5175.7-98.2000112.4Y330 N331 F332 V336 I337 F338Y330-Y334 HydrophobicContact CD1-CD2 4.03Å; Y330-Y334 HydrophobicContact CD1-CE2 4.23Å; Y330-Y334 HydrophobicContact CD1-CG 4.22Å; Y330-Y334 HydrophobicContact CE1-CE2 4.3Å; N331-Y334 WeakPolarHBondContact O-CB 3.45Å; N331-Y334 PolarHBondContact O-N 2.91Å; F332-Y334 PolarHBondContact O-N 3.09Å; Y334-V336 VanDerWaalsContact C-N 3.28Å; Y334-V336 PolarHBondContact O-N 3.41Å; Y334-I337 PolarHBondContact O-N 3.31Å; Y334-F338 HydrophobicContact CE1-CB 4.45Å; Y334-F338 WeakPolarHBondContact O-CB 3.31Å; Y334-F338 PolarHBondContact O-N 2.95Å
335A88.3Confident85.7Confident63 Ų63112.6 Ų112.652%0.52155%0.553SS.*Hα-helixtrans-61.4-36.9-179.500000112.6Q333 N339Q333-A335 VanDerWaalsContact C-N 3.29Å; Q333-A335 PolarHBondContact O-N 3.47Å; A335-N339 PolarHBondContact O-N 3.04Å; A335-N339 PolarHBondContact O-ND2 3.19Å
336V90.6Very high87.1Confident92 Ų92113.8 Ų113.856%0.55856%0.559SS**Hα-helixtrans-72.3-51.3179.2-178.40000110.3Q333 Y334 F338 N339 I340Q333-V336 PolarHBondContact O-N 3.48Å; Y334-V336 VanDerWaalsContact C-N 3.28Å; Y334-V336 PolarHBondContact O-N 3.41Å; V336-F338 VanDerWaalsContact C-N 3.31Å; V336-F338 PolarHBondContact O-N 3.47Å; V336-N339 PolarHBondContact O-N 3.32Å; V336-I340 HydrophobicContact CG1-CD1 3.96Å; V336-I340 WeakPolarHBondContact O-CG1 3.2Å; V336-I340 PolarHBondContact O-N 2.77Å; V336-I340 VanDerWaalsContact O-N 3.1Å
337I91.2Very high88.3Confident79 Ų79111.5 Ų111.541%0.40556%0.555SS.*Hα-helixtrans-61.5-42.1-179.2-63169.6000110.6Q333 Y334 N339 I340 V341Q333-I337 HydrophobicContact CB-CD1 4.19Å; Q333-I337 HydrophobicContact CB-CG1 4.46Å; Q333-I337 WeakPolarHBondContact O-CG1 3.3Å; Q333-I337 PolarHBondContact O-N 3.44Å; Y334-I337 PolarHBondContact O-N 3.31Å; I337-N339 PolarHBondContact O-N 3.29Å; I337-I340 PolarHBondContact O-N 2.62Å; I337-V341 HydrophobicContact CG2-CG2 4.35Å; I337-V341 WeakPolarHBondContact O-CG2 3.36Å; I337-V341 PolarHBondContact O-N 3.28Å
338F94.1Very high89.6Confident95 Ų95111.9 Ų111.942%0.41754%0.544SS..Hα-helixtrans-58.6-48.1178.3175.7-100.6000111.8Y334 V336 V341 L342Y334-F338 HydrophobicContact CE1-CB 4.45Å; Y334-F338 WeakPolarHBondContact O-CB 3.31Å; Y334-F338 PolarHBondContact O-N 2.95Å; V336-F338 VanDerWaalsContact C-N 3.31Å; V336-F338 PolarHBondContact O-N 3.47Å; F338-V341 PolarHBondContact O-N 2.98Å; F338-L342 HydrophobicContact CE1-CD1 3.95Å; F338-L342 HydrophobicContact CE2-CD1 4.27Å; F338-L342 HydrophobicContact CZ-CD1 3.58Å; F338-L342 WeakPolarHBondContact O-CB 3.42Å; F338-L342 PolarHBondContact O-N 2.94Å
339N94.1Very high90.8Very high76 Ų76106.7 Ų106.741%0.40653%0.534SS..Hα-helixtrans-65.4-41.9179.9-83.6-68.5000112.2A335 V336 I337 V341 L342 W343A335-N339 PolarHBondContact O-N 3.04Å; A335-N339 PolarHBondContact O-ND2 3.19Å; V336-N339 PolarHBondContact O-N 3.32Å; I337-N339 PolarHBondContact O-N 3.29Å; N339-V341 PolarHBondContact O-N 3.4Å; N339-L342 PolarHBondContact O-N 2.96Å; N339-W343 PolarHBondContact O-N 2.85Å; N339-W343 VanDerWaalsContact O-N 3.1Å
340I94.2Very high91.8Very high111 Ų111102.1 Ų102.157%0.56952%0.519SS*.Hα-helixtrans-59.5-48.9177.5-67.5169.1000110.3V336 I337 L344V336-I340 HydrophobicContact CG1-CD1 3.96Å; V336-I340 WeakPolarHBondContact O-CG1 3.2Å; V336-I340 PolarHBondContact O-N 2.77Å; V336-I340 VanDerWaalsContact O-N 3.1Å; I337-I340 PolarHBondContact O-N 2.62Å; I340-L344 WeakPolarHBondContact O-CB 3.43Å; I340-L344 PolarHBondContact O-N 3.36Å; I340-L344 VanDerWaalsContact O-N 3.13Å
341V95.3Very high92.6Very high80 Ų8096.3 Ų96.349%0.48551%0.506SS..Hα-helixtrans-67-43.5-179.1174.10000111.4I337 F338 N339 M345I337-V341 HydrophobicContact CG2-CG2 4.35Å; I337-V341 WeakPolarHBondContact O-CG2 3.36Å; I337-V341 PolarHBondContact O-N 3.28Å; F338-V341 PolarHBondContact O-N 2.98Å; N339-V341 PolarHBondContact O-N 3.4Å; V341-M345 HydrophobicContact CG1-CG 4.18Å; V341-M345 WeakPolarHBondContact O-CB 3.26Å; V341-M345 VanDerWaalsContact O-CG 3.25Å; V341-M345 WeakPolarHBondContact O-CG 3.36Å; V341-M345 PolarHBondContact O-N 3.41Å
342L94.9Very high93.3Very high61 Ų6196 Ų9632%0.31951%0.507SS..Hα-helixtrans-61-52.2-177.5-179.5130.5000111.7F338 N339 M345 I346F338-L342 HydrophobicContact CE1-CD1 3.95Å; F338-L342 HydrophobicContact CE2-CD1 4.27Å; F338-L342 HydrophobicContact CZ-CD1 3.58Å; F338-L342 WeakPolarHBondContact O-CB 3.42Å; F338-L342 PolarHBondContact O-N 2.94Å; N339-L342 PolarHBondContact O-N 2.96Å; L342-M345 PolarHBondContact O-N 2.86Å; L342-I346 HydrophobicContact CD2-CD1 3.77Å; L342-I346 HydrophobicContact CG-CD1 3.98Å; L342-I346 VanDerWaalsContact O-CG1 3.28Å; L342-I346 WeakPolarHBondContact O-CG1 3.03Å; L342-I346 PolarHBondContact O-N 3.24Å
343W95.5Very high94.2Very high164 Ų16491.3 Ų91.362%0.62149%0.491SS*.Hα-helixtrans-69.8-36.5-178-68.9116.1000112.6N339 I346 A347N339-W343 PolarHBondContact O-N 2.85Å; N339-W343 VanDerWaalsContact O-N 3.1Å; W343-I346 HydrophobicContact CE3-CD1 4.17Å; W343-I346 HydrophobicContact CZ3-CD1 4.28Å; W343-I346 PolarHBondContact O-N 3.11Å; W343-A347 WeakPolarHBondContact O-CB 3.26Å; W343-A347 PolarHBondContact O-N 3.45Å
344L95.5Very high94.6Very high110 Ų11087.8 Ų87.858%0.57648%0.483SS*.Hα-helixtrans-61.6-46.5175-177.669.5000111.5I340 A347 L348I340-L344 WeakPolarHBondContact O-CB 3.43Å; I340-L344 PolarHBondContact O-N 3.36Å; I340-L344 VanDerWaalsContact O-N 3.13Å; L344-A347 PolarHBondContact O-N 3.5Å; L344-L348 WeakPolarHBondContact O-CB 3.47Å; L344-L348 PolarHBondContact O-N 2.89Å
345M96.9Very high94.8Very high114 Ų11487.1 Ų87.156%0.56249%0.486SS*.Hα-helixtrans-67.4-38.4-179.4-72.6-58.9-65.700112.3V341 L342 L348 A349V341-M345 HydrophobicContact CG1-CG 4.18Å; V341-M345 WeakPolarHBondContact O-CB 3.26Å; V341-M345 VanDerWaalsContact O-CG 3.25Å; V341-M345 WeakPolarHBondContact O-CG 3.36Å; V341-M345 PolarHBondContact O-N 3.41Å; L342-M345 PolarHBondContact O-N 2.86Å; M345-L348 PolarHBondContact O-N 3.48Å; M345-A349 VanDerWaalsContact O-CB 3.26Å; M345-A349 WeakPolarHBondContact O-CB 3.42Å; M345-A349 PolarHBondContact O-N 3.4Å
346I96.5Very high95.2Very high75 Ų7586.7 Ų86.739%0.38548%0.482SS..Hα-helixtrans-62.8-47.2175-69.3167.3000110.5L342 W343 L348 A349 L350L342-I346 HydrophobicContact CD2-CD1 3.77Å; L342-I346 HydrophobicContact CG-CD1 3.98Å; L342-I346 VanDerWaalsContact O-CG1 3.28Å; L342-I346 WeakPolarHBondContact O-CG1 3.03Å; L342-I346 PolarHBondContact O-N 3.24Å; W343-I346 HydrophobicContact CE3-CD1 4.17Å; W343-I346 HydrophobicContact CZ3-CD1 4.28Å; W343-I346 PolarHBondContact O-N 3.11Å; I346-L348 VanDerWaalsContact C-N 3.34Å; I346-L348 PolarHBondContact O-N 2.92Å; I346-A349 PolarHBondContact O-N 2.99Å; I346-L350 HydrophobicContact CG2-CD1 4.13Å; I346-L350 WeakPolarHBondContact O-CG 3.41Å; I346-L350 PolarHBondContact O-N 3.36Å
347A96.4Very high95.5Very high58 Ų5889.5 Ų89.548%0.47948%0.484SS..Hα-helixtrans-61.3-43.6178.900000111.8W343 L344 L350 A351W343-A347 WeakPolarHBondContact O-CB 3.26Å; W343-A347 PolarHBondContact O-N 3.45Å; L344-A347 PolarHBondContact O-N 3.5Å; A347-L350 PolarHBondContact O-N 3.13Å; A347-A351 WeakPolarHBondContact O-CB 3.48Å; A347-A351 PolarHBondContact O-N 3Å
348L95Very high95.5Very high98 Ų9890.9 Ų90.951%0.51349%0.492SS..Hα-helixtrans-67.3-41.1179.4-159.6153.7000111.5L344 M345 I346 A351 V352L344-L348 WeakPolarHBondContact O-CB 3.47Å; L344-L348 PolarHBondContact O-N 2.89Å; M345-L348 PolarHBondContact O-N 3.48Å; I346-L348 VanDerWaalsContact C-N 3.34Å; I346-L348 PolarHBondContact O-N 2.92Å; L348-A351 PolarHBondContact O-N 3.05Å; L348-V352 HydrophobicContact CD2-CG2 4.08Å; L348-V352 WeakPolarHBondContact O-CG2 3.31Å; L348-V352 PolarHBondContact O-N 2.82Å
349A96.4Very high95.5Very high49 Ų4991.8 Ų91.841%0.40550%0.5SS..Hα-helixtrans-61.8-44.6175.500000111.9M345 I346 A351 V352 I353M345-A349 VanDerWaalsContact O-CB 3.26Å; M345-A349 WeakPolarHBondContact O-CB 3.42Å; M345-A349 PolarHBondContact O-N 3.4Å; I346-A349 PolarHBondContact O-N 2.99Å; A349-A351 VanDerWaalsContact C-N 3.33Å; A349-A351 PolarHBondContact O-N 3.11Å; A349-V352 PolarHBondContact O-N 3.1Å; A349-I353 VanDerWaalsContact O-CG1 3.27Å; A349-I353 WeakPolarHBondContact O-CG1 3.45Å; A349-I353 PolarHBondContact O-N 3.1Å
350L96.1Very high95.4Very high109 Ų10998.8 Ų98.857%0.57152%0.521SS*.Hα-helixtrans-62.7-39.7175.8-73.3173.5000112.1I346 A347 I353 A354I346-L350 HydrophobicContact CG2-CD1 4.13Å; I346-L350 WeakPolarHBondContact O-CG 3.41Å; I346-L350 PolarHBondContact O-N 3.36Å; A347-L350 PolarHBondContact O-N 3.13Å; L350-I353 PolarHBondContact O-N 3.05Å; L350-A354 WeakPolarHBondContact O-CB 3.49Å; L350-A354 PolarHBondContact O-N 2.92Å
351A96Very high95.2Very high49 Ų4997.7 Ų97.741%0.40552%0.517SS..Hα-helixtrans-62-44.8176.100000111.9A347 L348 A349 A354 I355A347-A351 WeakPolarHBondContact O-CB 3.48Å; A347-A351 PolarHBondContact O-N 3Å; L348-A351 PolarHBondContact O-N 3.05Å; A349-A351 VanDerWaalsContact C-N 3.33Å; A349-A351 PolarHBondContact O-N 3.11Å; A351-A354 PolarHBondContact O-N 2.93Å; A351-I355 VanDerWaalsContact O-CG1 3.31Å; A351-I355 WeakPolarHBondContact O-CG1 3.23Å; A351-I355 PolarHBondContact O-N 3.12Å
352V97.1Very high94.8Very high85 Ų85100.2 Ų100.252%0.51553%0.525SS..Hα-helixtrans-62.7-43.7176.8172.60000111.1L348 A349 A354 I355 A356L348-V352 HydrophobicContact CD2-CG2 4.08Å; L348-V352 WeakPolarHBondContact O-CG2 3.31Å; L348-V352 PolarHBondContact O-N 2.82Å; A349-V352 PolarHBondContact O-N 3.1Å; V352-A354 VanDerWaalsContact C-N 3.34Å; V352-A354 PolarHBondContact O-N 3.1Å; V352-I355 PolarHBondContact O-N 3.17Å; V352-A356 VanDerWaalsContact O-CB 3.27Å; V352-A356 WeakPolarHBondContact O-CB 3.42Å; V352-A356 PolarHBondContact O-N 3.15Å
353I96.6Very high94.1Very high108 Ų108102.6 Ų102.655%0.55454%0.538SS*.Hα-helixtrans-60.7-45177-68.8164.8000110.7A349 L350 A356 Y357A349-I353 VanDerWaalsContact O-CG1 3.27Å; A349-I353 WeakPolarHBondContact O-CG1 3.45Å; A349-I353 PolarHBondContact O-N 3.1Å; L350-I353 PolarHBondContact O-N 3.05Å; I353-A356 PolarHBondContact O-N 3.27Å; I353-Y357 WeakPolarHBondContact O-CB 3.47Å; I353-Y357 PolarHBondContact O-N 3.16Å
354A95.4Very high93.2Very high48 Ų4899.2 Ų99.240%0.39754%0.537SS..Hα-helixtrans-62.5-45.1179.100000111.9L350 A351 V352 Y357 N358L350-A354 WeakPolarHBondContact O-CB 3.49Å; L350-A354 PolarHBondContact O-N 2.92Å; A351-A354 PolarHBondContact O-N 2.93Å; V352-A354 VanDerWaalsContact C-N 3.34Å; V352-A354 PolarHBondContact O-N 3.1Å; A354-Y357 PolarHBondContact O-N 2.79Å; A354-N358 PolarHBondContact O-N 3.39Å; A354-N358 PolarHBondContact O-ND2 3.3Å
355I95.8Very high92.2Very high106 Ų10695.9 Ų95.954%0.54453%0.53SS..Hα-helixtrans-64.4-44.9177.7-66164.5000110.5A351 V352 Y357 N358 L359A351-I355 VanDerWaalsContact O-CG1 3.31Å; A351-I355 WeakPolarHBondContact O-CG1 3.23Å; A351-I355 PolarHBondContact O-N 3.12Å; V352-I355 PolarHBondContact O-N 3.17Å; I355-Y357 VanDerWaalsContact C-N 3.34Å; I355-Y357 PolarHBondContact O-N 3.35Å; I355-N358 PolarHBondContact O-N 3.05Å; I355-L359 HydrophobicContact CG2-CD1 3.98Å; I355-L359 HydrophobicContact CG2-CG 4.49Å; I355-L359 WeakPolarHBondContact O-CG 3.3Å; I355-L359 PolarHBondContact O-N 2.91Å
356A96.2Very high90.6Very high53 Ų5396.5 Ų96.544%0.43853%0.526SS..Hα-helixtrans-61.8-41.3178.300000112V352 I353 L359 W360V352-A356 VanDerWaalsContact O-CB 3.27Å; V352-A356 WeakPolarHBondContact O-CB 3.42Å; V352-A356 PolarHBondContact O-N 3.15Å; I353-A356 PolarHBondContact O-N 3.27Å; A356-L359 PolarHBondContact O-N 3.47Å; A356-W360 VanDerWaalsContact O-CB 3.31Å; A356-W360 WeakPolarHBondContact O-CB 3.46Å; A356-W360 PolarHBondContact O-N 3.12Å
357Y95.4Very high89Confident151 Ų15199.4 Ų99.459%0.59254%0.543SS*.Hα-helixtrans-63.8-42.4176.6-176.5-97.5000112.2I353 A354 I355 W360 N361I353-Y357 WeakPolarHBondContact O-CB 3.47Å; I353-Y357 PolarHBondContact O-N 3.16Å; A354-Y357 PolarHBondContact O-N 2.79Å; I355-Y357 VanDerWaalsContact C-N 3.34Å; I355-Y357 PolarHBondContact O-N 3.35Å; Y357-W360 PolarHBondContact O-N 3.01Å; Y357-N361 WeakPolarHBondContact CE1-ND2 3.47Å; Y357-N361 WeakPolarHBondContact CE2-ND2 3.34Å; Y357-N361 PolarHBondContact O-N 3.11Å; Y357-N361 PolarHBondContact OH-ND2 3.05Å
358N92.5Very high87.4Confident109 Ų109101.3 Ų101.358%0.58355%0.553SS**Hα-helixtrans-66.5-39.4176.6-75.6-59.9000112.2A354 I355 N361 M362A354-N358 PolarHBondContact O-N 3.39Å; A354-N358 PolarHBondContact O-ND2 3.3Å; I355-N358 PolarHBondContact O-N 3.05Å; N358-N361 CarbonylContact O-C 3.6Å; N358-N361 PolarHBondContact O-N 2.78Å; N358-M362 PolarHBondContact O-N 3.48Å
359L92.8Very high86.1Confident113 Ų113102.3 Ų102.359%0.59256%0.557SS**Hα-helixtrans-66.5-38.9174.2-75.6170.6000112I355 A356 N361 M362I355-L359 HydrophobicContact CG2-CD1 3.98Å; I355-L359 HydrophobicContact CG2-CG 4.49Å; I355-L359 WeakPolarHBondContact O-CG 3.3Å; I355-L359 PolarHBondContact O-N 2.91Å; A356-L359 PolarHBondContact O-N 3.47Å; L359-N361 VanDerWaalsContact C-N 3.33Å; L359-M362 WeakPolarHBondContact O-CB 3.46Å; L359-M362 PolarHBondContact O-N 3.08Å
360W92.6Very high84.5Confident223 Ų223103.4 Ų103.485%0.84556%0.556SS**Hα-helixtrans-63.6-40.7177.3-172.3-75.5000111.9A356 Y357A356-W360 VanDerWaalsContact O-CB 3.31Å; A356-W360 WeakPolarHBondContact O-CB 3.46Å; A356-W360 PolarHBondContact O-N 3.12Å; Y357-W360 PolarHBondContact O-N 3.01Å
361N89.8Confident82.7Confident89 Ų89104.4 Ų104.448%0.47655%0.553SS.*THydrogen-bonded Turntrans-97.721.9179.8-72.1-22.4000113.2Y357 N358 L359 D363Y357-N361 WeakPolarHBondContact CE1-ND2 3.47Å; Y357-N361 WeakPolarHBondContact CE2-ND2 3.34Å; Y357-N361 PolarHBondContact O-N 3.11Å; Y357-N361 PolarHBondContact OH-ND2 3.05Å; N358-N361 CarbonylContact O-C 3.6Å; N358-N361 PolarHBondContact O-N 2.78Å; L359-N361 VanDerWaalsContact C-N 3.33Å; N361-D363 PolarHBondContact O-N 3.48Å; N361-D363 VanDerWaalsContact O-N 3.13Å
362M87.1Confident81.1Confident132 Ų132112.3 Ų112.365%0.6557%0.572SS**  trans-67.2115.5176-169171.368.500108.4N358 L359 P364N358-M362 PolarHBondContact O-N 3.48Å; L359-M362 WeakPolarHBondContact O-CB 3.46Å; L359-M362 PolarHBondContact O-N 3.08Å; M362-P364 VanDerWaalsContact O-CD 3.26Å; M362-P364 WeakPolarHBondContact O-CD 3.48Å
363D81.5Confident79.5Confident111 Ų111115.7 Ų115.759%0.59458%0.584SS**  trans-63.1116.2177.5-175-5.9000108.6N361 G365N361-D363 PolarHBondContact O-N 3.48Å; N361-D363 VanDerWaalsContact O-N 3.13Å; D363-G365 PolarHBondContact O-N 3.39Å; D363-G365 VanDerWaalsContact O-N 3.13Å; D363-G365 PolarHBondContact OD1-N 3.21Å
364P76.5Confident77.9Confident94 Ų94115.3 Ų115.361%0.6159%0.587SS**  trans-70-5.4-179.429.5-35000112.8M362M362-P364 VanDerWaalsContact O-CD 3.26Å; M362-P364 WeakPolarHBondContact O-CD 3.48Å
365G73.4Confident76.1Confident40 Ų40118.7 Ų118.741%0.41260%0.599SS.*  trans71.4104.8-172.300000109D363 D367D363-G365 PolarHBondContact O-N 3.39Å; D363-G365 VanDerWaalsContact O-N 3.13Å; D363-G365 PolarHBondContact OD1-N 3.21Å; G365-D367 PolarHBondContact O-N 3.5Å
366Y63.1Low74.3Confident126 Ų126121.7 Ų121.749%0.49461%0.61SS.*  trans-69.413.7-176.2-74.3-81000114.8I370 Y371Y366-I370 HydrophobicContact CD1-CB 4.38Å; Y366-I370 HydrophobicContact CD1-CD1 4.49Å; Y366-I370 HydrophobicContact CD1-CG2 3.83Å; Y366-I370 HydrophobicContact CE1-CG2 4.22Å; Y366-Y371 WeakPolarHBondContact O-CD2 3.45Å; Y366-Y371 VanDerWaalsContact O-CE2 3.27Å; Y366-Y371 WeakPolarHBondContact O-CE2 3.23Å
367D63.1Low72.4Confident137 Ų137128.1 Ų128.173%0.73363%0.628SS**THydrogen-bonded Turntrans-85.8136.8-172.2-73.6-28.9000113.3G365G365-D367 PolarHBondContact O-N 3.5Å
368S64.1Low70.9Confident98 Ų98127.6 Ų127.669%0.68563%0.634SS**THydrogen-bonded Turntrans84.5-77.6175.875.50000118.8
369I66.7Low69Low119 Ų119132.9 Ų132.961%0.6165%0.646SS**Hα-helixtrans-86.9-36.2-168.2-72.2170.4000113R372 M373I369-R372 WeakPolarHBondContact O-CB 3.5Å; I369-R372 PolarHBondContact O-N 3.16Å; I369-M373 PolarHBondContact O-N 3.27Å
370I62.2Low67Low72 Ų72136 Ų13637%0.36966%0.66SS.*Hα-helixtrans-70-41.3-175.9-59.6-179.6000110.8Y366 R372 M373 T374Y366-I370 HydrophobicContact CD1-CB 4.38Å; Y366-I370 HydrophobicContact CD1-CD1 4.49Å; Y366-I370 HydrophobicContact CD1-CG2 3.83Å; Y366-I370 HydrophobicContact CE1-CG2 4.22Å; I370-R372 VanDerWaalsContact C-N 3.29Å; I370-R372 PolarHBondContact O-N 3.27Å; I370-M373 PolarHBondContact O-N 3.14Å; I370-M373 VanDerWaalsContact O-N 3.16Å; I370-T374 HydrophobicContact CG2-CG2 4.4Å; I370-T374 PolarHBondContact O-N 3.12Å; I370-T374 VanDerWaalsContact O-N 3.07Å; I370-T374 PolarHBondContact O-OG1 3.45Å; I370-T374 VanDerWaalsContact O-OG1 3.05Å
371Y59.7Low64.8Low129 Ų129136 Ų13651%0.50668%0.676SS.*Hα-helixtrans-63.5-30172.6-85.3-65.3000113.9Y366 M373 N375Y366-Y371 WeakPolarHBondContact O-CD2 3.45Å; Y366-Y371 VanDerWaalsContact O-CE2 3.27Å; Y366-Y371 WeakPolarHBondContact O-CE2 3.23Å; Y371-M373 VanDerWaalsContact C-N 3.29Å; Y371-M373 PolarHBondContact O-N 3.35Å; Y371-N375 WeakPolarHBondContact O-CB 3.39Å; Y371-N375 PolarHBondContact O-N 3.02Å; Y371-N375 VanDerWaalsContact O-N 3.13Å
372R62.7Low63.6Low215 Ų215138.4 Ų138.481%0.81169%0.686SS**Hα-helixtrans-67.8-30.7175.4-173.3179.5179.3-171.30.4112I369 I370I369-R372 WeakPolarHBondContact O-CB 3.5Å; I369-R372 PolarHBondContact O-N 3.16Å; I370-R372 VanDerWaalsContact C-N 3.29Å; I370-R372 PolarHBondContact O-N 3.27Å
373M63.1Low62.3Low156 Ų156138.7 Ų138.777%0.76869%0.688SS**Hα-helixtrans-84.8-33.1177.2-72.4-141.8-176.100113.3I369 I370 Y371I369-M373 PolarHBondContact O-N 3.27Å; I370-M373 PolarHBondContact O-N 3.14Å; I370-M373 VanDerWaalsContact O-N 3.16Å; Y371-M373 VanDerWaalsContact C-N 3.29Å; Y371-M373 PolarHBondContact O-N 3.35Å
374T62.3Low61.3Low101 Ų101140.3 Ų140.362%0.6269%0.694SS**Hα-helixtrans-91-19.7-174.454.20000114.4I370I370-T374 HydrophobicContact CG2-CG2 4.4Å; I370-T374 PolarHBondContact O-N 3.12Å; I370-T374 VanDerWaalsContact O-N 3.07Å; I370-T374 PolarHBondContact O-OG1 3.45Å; I370-T374 VanDerWaalsContact O-OG1 3.05Å
375N57.7Low60.4Low119 Ų119143 Ų14364%0.63670%0.699SS**  trans-113.466.8-177.3-141-4.2000112Y371 K377Y371-N375 WeakPolarHBondContact O-CB 3.39Å; Y371-N375 PolarHBondContact O-N 3.02Å; Y371-N375 VanDerWaalsContact O-N 3.13Å; N375-K377 VanDerWaalsContact C-N 3.27Å; N375-K377 PolarHBondContact O-N 2.67Å
376Q58.8Low59.6Low168 Ų168149.4 Ų149.479%0.78572%0.716SS**  trans-74.283.6164.3-74.1-171.2-2600109.1I378Q376-I378 PolarHBondContact O-N 2.88Å
377K56.1Low59.3Low189 Ų189151 Ų15182%0.82273%0.731SS**  trans-65.897.8169.5-171.6175-176.3177.60108.6N375 R379N375-K377 VanDerWaalsContact C-N 3.27Å; N375-K377 PolarHBondContact O-N 2.67Å; K377-R379 PolarHBondContact O-N 3.31Å
378I63.4Low59.1Low140 Ų140152 Ų15272%0.71873%0.731SS**  trans-63.4115.2170.5-63.1169.2000107.2Q376 M380Q376-I378 PolarHBondContact O-N 2.88Å; I378-M380 PolarHBondContact O-N 3.16Å
379R52.2Low58.7Low220 Ų220156.2 Ų156.283%0.8374%0.735SS**  trans-71.8118.5165.2-101.9-179.2159.1174-6.9107.2K377K377-R379 PolarHBondContact O-N 3.31Å
380M50.7Low58Low179 Ų179159.3 Ų159.388%0.88275%0.745SS**  trans-85.3118.2160.2-70.1-138160.800107I378I378-M380 PolarHBondContact O-N 3.16Å
381D47.3Very low57.6Low223 Ų223167.2 Ų167.2100%1.19378%0.779SS**  trans-84.10167.7-69.1-28.9000110.3

Retrieved 381 of 381 residues in 327.5 ms (Link to these results)