A0A087XGR2_POEFO Loading...

Inhibin beta B chain

Inhibins and activins inhibit and activate, respectively, the secretion of follitropin by the pituitary gland. Inhibins/activins are involved in regulating a number of diverse functions such as hypothalamic and pituitary hormone secretion, gonadal hormone secretion, germ cell development and maturation, erythroid differentiation, insulin secretion, nerve cell survival, embryonic axial development or bone growth, depending on their subunit composition. Inhibins appear to oppose the functions of activins.

AlphaFold DB , UniProt , Accession A0A087XGR2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 401 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1P57.1Low54.4Low171 Ų171137.9 Ų137.9100%1.1172%0.717SS**  090030.6-8.7000109.5
2L53.2Low54.5Low145 Ų145142.9 Ų142.976%0.75972%0.72SS**  -157.96.174.2-108.1101.4000112.4
3T53.2Low54.6Low124 Ų124141.5 Ų141.576%0.76172%0.715SS**SBendtrans-96.1-8-164.848.20000116.2T7T3-T7 PolarHBondContact O-OG1 2.94Å
4H51.6Low54.7Low153 Ų153136 Ų13671%0.70870%0.701SS**THydrogen-bonded Turntrans-97.8-9.8-178.7-120.9-56.1000115.1
5K52.3Low54.7Low189 Ų189134.7 Ų134.782%0.82270%0.696SS**THydrogen-bonded Turntrans-94.6-21.3177.3-82.5-175.5176.4-178.50113.8
6M53.7Low54.6Low132 Ų132134.5 Ų134.565%0.6570%0.695SS**Hα-helixtrans-77.8-32.2176.4-80.4175.871.200113.4R8 C9 L10M6-R8 PolarHBondContact O-N 3Å; M6-C9 PolarHBondContact O-N 3.36Å; M6-L10 PolarHBondContact O-N 3.19Å
7T56.2Low54.4Low84 Ų84129.9 Ų129.952%0.51568%0.682SS.*Hα-helixtrans-71.3-28.9-179.960000113.5T3 L11T3-T7 PolarHBondContact O-OG1 2.94Å; T7-L11 PolarHBondContact O-N 2.67Å
8R54.9Low54.3Low192 Ų192125.6 Ų125.673%0.72567%0.668SS**Hα-helixtrans-79.3-21.4175.9-74-177.3175.7176.7-0.3113.6M6M6-R8 PolarHBondContact O-N 3Å
9C53.5Low53.9Low84 Ų84124.1 Ų124.157%0.56867%0.667SS**Hα-helixtrans-81.5-39.9176.9-127.20000111.8M6 L11 R12 L13M6-C9 PolarHBondContact O-N 3.36Å; C9-L11 PolarHBondContact O-N 2.83Å; C9-R12 PolarHBondContact O-N 2.74Å; C9-L13 PolarHBondContact O-N 3.24Å
10L55.7Low53.6Low121 Ų121123.5 Ų123.563%0.63467%0.667SS**Hα-helixtrans-66.8-34.7177.2-76.3159.7000112.9M6 A14M6-L10 PolarHBondContact O-N 3.19Å; L10-A14 PolarHBondContact O-N 2.74Å
11L56.5Low53.1Low122 Ų122124.7 Ų124.764%0.63967%0.673SS**Hα-helixtrans-69.8-31.9177.8-135.785.7000113.1T7 C9 L15T7-L11 PolarHBondContact O-N 2.67Å; C9-L11 PolarHBondContact O-N 2.83Å; L11-L15 PolarHBondContact O-N 2.92Å
12R56.1Low52.3Low198 Ų198124 Ų12475%0.74766%0.659SS**Hα-helixtrans-76.9-29.8179-75.1-174.9174-168.1-2.5113C9C9-R12 PolarHBondContact O-N 2.74Å
13L55.3Low51.7Low125 Ų125122 Ų12265%0.65466%0.657SS**Hα-helixtrans-74-33.1173.2-96.1132.5000112.8C9 A17C9-L13 PolarHBondContact O-N 3.24Å; L13-A17 PolarHBondContact O-N 3Å
14A56.6Low51.2Low64 Ų64120.1 Ų120.153%0.52966%0.655SS.*Hα-helixtrans-70.6-34.9176.900000113.5L10 A18L10-A14 PolarHBondContact O-N 2.74Å; A14-A18 PolarHBondContact O-N 2.99Å
15L54.2Low50.4Low117 Ų117124.7 Ų124.761%0.61367%0.665SS**Hα-helixtrans-73.4-29.9178.3-92.8148.8000113.5L11L11-L15 PolarHBondContact O-N 2.92Å
16L53.3Low49.6Very low131 Ų131119.8 Ų119.869%0.68667%0.669SS**Hα-helixtrans-76.7-30.9175.9-80.7161.6000112.7
17A52Low48.5Very low57 Ų57118.3 Ų118.347%0.47168%0.677SS.*Hα-helixtrans-74.3-28.9175.300000113.2L13L13-A17 PolarHBondContact O-N 3Å
18A51.9Low47.3Very low52 Ų52119.4 Ų119.443%0.4370%0.695SS.*Hα-helixtrans-75.7-29.3178.300000113.7A14 L22A14-A18 PolarHBondContact O-N 2.99Å; A18-L22 WeakPolarHBondContact O-CD1 3.14Å
19C47.6Very low46.2Very low96 Ų96114.8 Ų114.865%0.64970%0.698SS**Hα-helixtrans-77.4-21178.5-77.50000114.1
20V47.2Very low45.2Very low112 Ų112116.9 Ų116.968%0.67971%0.71SS**Hα-helixtrans-85.6-16.6-180178.80000112.3
21L42.2Very low43.8Very low150 Ų150118.9 Ų118.979%0.78572%0.722SS**SBendtrans-96.8-4.5-178.7-73.3167.8000114.9
22L40.9Very low42.4Very low155 Ų155117.4 Ų117.481%0.81273%0.727SS**SBendtrans-100.7-0.6179.3-92.3111.5000115.4A18A18-L22 WeakPolarHBondContact O-CD1 3.14Å
23S40.4Very low41Very low103 Ų103117.1 Ų117.172%0.7274%0.735SS**SBendtrans-104.317.4-17858.50000115.3
24A42.4Very low39.6Very low86 Ų86116 Ų11671%0.71174%0.744SS**  trans-141.164.8179.400000113.1
25R36.1Very low38.2Very low248 Ų248117.8 Ų117.894%0.93676%0.758SS**  trans-142100.2155.7-82.9-169.2170.9173.9-4.4109.6
26G34Very low37.1Very low87 Ų87119.4 Ų119.490%0.89777%0.773SS**  trans-67.3138.8168.400000110.8
27A30.7Very low35.8Very low100 Ų100116.6 Ų116.683%0.82678%0.775SS**  trans-118.6118.4168.200000107.8
28A31.8Very low35.1Very low108 Ų108119.4 Ų119.489%0.89380%0.798SS**  trans-64.6139.9168.500000109.9
29A31Very low33.8Very low94 Ų94120.3 Ų120.378%0.77781%0.813SS**  trans-104148.6172.100000110.1
30P33Very low33Very low128 Ų128120.5 Ų120.583%0.83182%0.821SS**  trans-93.5164.4-166.337.1-32.7000114.1
31D26.8Very low32.5Very low163 Ų163124.1 Ų124.187%0.87283%0.831SS**  trans-67.9168.1174.4-73.1-56.6000115.4
32A26.1Very low32.5Very low92 Ų92122.5 Ų122.576%0.7683%0.829SS**  trans87.4134.7168.300000115.6
33E26.7Very low32.5Very low192 Ų192124 Ų12490%0.89783%0.832SS**  cis-164154.428-140.5166.3-176.100110.5
34A27.8Very low32.3Very low102 Ų102122.8 Ų122.884%0.84382%0.824SS**  trans-76.4137.2-179.100000112.8
35A26.9Very low32.1Very low100 Ų100122.4 Ų122.483%0.82681%0.814SS**  trans-136.1116.3159.300000109.4
36T30.8Very low32.5Very low152 Ų152115.4 Ų115.493%0.93381%0.81SS**  trans-61.6124.6-179.943.20000112.7
37G25Very low32.8Very low71 Ų71116.2 Ų116.273%0.73280%0.802SS**  trans-137.9112.9162.800000108.6G39G37-G39 PolarHBondContact O-N 3.38Å
38A37.3Very low33.6Very low116 Ų116114.8 Ų114.896%0.95979%0.785SS**  trans-58.2105.7174.200000109.6
39G25.1Very low34Very low72 Ų72112.6 Ų112.674%0.74277%0.767SS**  trans-111.5115.1-178.800000110.3G37G37-G39 PolarHBondContact O-N 3.38Å
40A30.5Very low34.6Very low99 Ų99112.2 Ų112.282%0.81876%0.764SS**  trans-50.3146.3178.900000114.1
41H36.3Very low35Very low189 Ų189110.6 Ų110.688%0.87576%0.755SS**  trans-42.9133.8166.2-95.4-76.5000112.7
42P43.5Very low35.4Very low115 Ų115107 Ų10775%0.74775%0.749SS**  trans-91.3113.3164.724.7-11.2000110.3
43E39.6Very low36Very low187 Ų187113.7 Ų113.787%0.87475%0.754SS**  trans63.679.7144.5-52.1-162.1162.400117.9C45E43-C45 PolarHBondContact O-N 3.07Å
44S36.6Very low36.6Very low78 Ų78112.1 Ų112.155%0.54575%0.751SS.*  trans-60.8129.4147.8-176.20000108.9A46 A49S44-A46 PolarHBondContact O-N 3.21Å; S44-A49 PolarHBondContact OG-N 2.94Å
45C39.3Very low37.1Very low77 Ų77115.9 Ų115.952%0.5275%0.751SS.*  trans-50134.4169.3-178.50000109.2E43 S47 C48 A49E43-C45 PolarHBondContact O-N 3.07Å; C45-S47 PolarHBondContact O-N 2.87Å; C45-C48 HydrophobicContact CB-CB 4.24Å; C45-C48 PolarHBondContact O-N 3.48Å; C45-A49 PolarHBondContact O-N 3.02Å
46A42.9Very low37.6Very low101 Ų101120.2 Ų120.284%0.83575%0.754SS**THydrogen-bonded Turntrans-55.6-20.2-179.100000113.4S44S44-A46 PolarHBondContact O-N 3.21Å
47S41.4Very low38Very low105 Ų105118.4 Ų118.473%0.73475%0.745SS**THydrogen-bonded Turntrans-84-15.7174.3-52.70000114.9C45C45-S47 PolarHBondContact O-N 2.87Å
48C48.1Very low38.5Very low70 Ų70122.8 Ų122.847%0.47375%0.747SS.*THydrogen-bonded Turntrans-112-8.1-173.4-59.50000113.6C45 A50 S51C45-C48 HydrophobicContact CB-CB 4.24Å; C45-C48 PolarHBondContact O-N 3.48Å; C48-A50 PolarHBondContact O-N 2.72Å; C48-S51 PolarHBondContact O-N 3.47Å
49A38.9Very low38.5Very low61 Ų61123.5 Ų123.550%0.50474%0.741SS.*G310 helixtrans-69.2-15.1179.100000113.8S44 C45 S51S44-A49 PolarHBondContact OG-N 2.94Å; C45-A49 PolarHBondContact O-N 3.02Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 2.93Å
50A43.3Very low39.6Very low87 Ų87124 Ų12472%0.71975%0.747SS**G310 helixtrans-71.8-22.2178.500000113.5C48 A52C48-A50 PolarHBondContact O-N 2.72Å; A50-A52 VanDerWaalsContact C-N 3.28Å; A50-A52 PolarHBondContact O-N 3.26Å
51S41.3Very low40.4Very low93 Ų93130 Ų13065%0.6575%0.748SS**G310 helixtrans-80.1-2.6-173.5-42.20000114.6C48 A49C48-S51 PolarHBondContact O-N 3.47Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 2.93Å
52A36.4Very low41.4Very low89 Ų89125 Ų12574%0.73673%0.731SS**G310 helixtrans-93.52.2-171.500000115A50A50-A52 VanDerWaalsContact C-N 3.28Å; A50-A52 PolarHBondContact O-N 3.26Å
53R37.3Very low42.5Very low231 Ų231124.4 Ų124.487%0.87272%0.721SS**  trans-132.687.6175.1-71.6-174.8-179.6170.20.1110.3
54L39.6Very low44.2Very low160 Ų160117.7 Ų117.784%0.83870%0.703SS**  trans-97.690.6166.6-70.8167.7000108.1
55E39Very low46.1Very low181 Ų181119.7 Ų119.785%0.84671%0.707SS**PPolyproline II helixtrans-78.4138140.8-74.7-176147.800106.4
56E37.6Very low48Very low191 Ų191119.5 Ų119.589%0.89370%0.697SS**PPolyproline II helixtrans-58.6130.6-175.5-64.4-159.6138.900111.4E58E56-E58 PolarHBondContact O-N 2.83Å
57P39.2Very low49.9Very low113 Ų113117.3 Ų117.373%0.73467%0.672SS**PPolyproline II helixtrans-79.6124.3-17929.2-29.5000110.9
58E35Very low52.1Low164 Ų164116 Ų11677%0.76665%0.654SS**PPolyproline II helixtrans-54.2135.5161.5-76.9-81.3144.300110.3E56 G60E56-E58 PolarHBondContact O-N 2.83Å; E58-G60 PolarHBondContact O-N 3.22Å; E58-G60 VanDerWaalsContact O-N 3.09Å
59P37Very low53.9Low130 Ų130114.9 Ų114.984%0.84465%0.65SS**THydrogen-bonded Turntrans-70.8110.8-174.827.4-31.1000110.5
60G48.3Very low56.2Low83 Ų83112.7 Ų112.786%0.85663%0.63SS**THydrogen-bonded Turntrans131.6-4167.800000116.6E58E58-G60 PolarHBondContact O-N 3.22Å; E58-G60 VanDerWaalsContact O-N 3.09Å
61R48.8Very low58.4Low224 Ų224110.7 Ų110.785%0.84561%0.605SS**  trans-106.7102.9173.2-163.1171.8-173.6163.1-0.4109.4D63R61-D63 PolarHBondContact O-N 3.09Å
62V55.6Low60.7Low86 Ų86113.3 Ų113.352%0.52160%0.601SS.*  trans-60.2123.6166.4-174.70000106.8G64 F66V62-G64 PolarHBondContact O-N 3.47Å; V62-F66 HydrophobicContact CG1-CD1 3.96Å
63D67.9Low63.2Low101 Ų101113 Ų11354%0.5458%0.584SS.*  trans-55.7127.8-179-170.52.1000109.8R61 D65 F66 L67R61-D63 PolarHBondContact O-N 3.09Å; D63-D65 PolarHBondContact O-N 2.97Å; D63-D65 PolarHBondContact OD1-N 2.81Å; D63-F66 HydrophobicContact CB-CB 4.23Å; D63-F66 WeakPolarHBondContact O-CB 3.47Å; D63-F66 PolarHBondContact O-N 2.95Å; D63-L67 PolarHBondContact O-N 3.34Å; D63-L67 VanDerWaalsContact O-N 3.16Å
64G74.1Confident65.6Low47 Ų47102 Ų10249%0.48554%0.542SS..Hα-helixtrans-59.4-31.3-17600000111.8V62 L67 E68V62-G64 PolarHBondContact O-N 3.47Å; G64-L67 PolarHBondContact O-N 2.94Å; G64-E68 PolarHBondContact O-N 3.36Å; G64-E68 VanDerWaalsContact O-N 3.1Å
65D77.6Confident68Low120 Ų12095.4 Ų95.464%0.64251%0.508SS*.Hα-helixtrans-69.1-36.6177.9-71-16.3000112.1D63 E68 A69D63-D65 PolarHBondContact O-N 2.97Å; D63-D65 PolarHBondContact OD1-N 2.81Å; D65-E68 PolarHBondContact O-N 3.24Å; D65-A69 PolarHBondContact O-N 3.26Å
66F79.3Confident70.3Confident72 Ų7290.9 Ų90.932%0.31650%0.496SS..Hα-helixtrans-67.7-43.8175.3-179-98.9000111.6V62 D63 E68 A69 V70 F302 Y325V62-F66 HydrophobicContact CG1-CD1 3.96Å; D63-F66 HydrophobicContact CB-CB 4.23Å; D63-F66 WeakPolarHBondContact O-CB 3.47Å; D63-F66 PolarHBondContact O-N 2.95Å; F66-E68 VanDerWaalsContact C-N 3.26Å; F66-E68 PolarHBondContact O-N 2.96Å; F66-A69 WeakPolarHBondContact O-CB 3.4Å; F66-A69 PolarHBondContact O-N 2.88Å; F66-A69 VanDerWaalsContact O-N 3.16Å; F66-V70 HydrophobicContact CD1-CG2 4.41Å; F66-V70 HydrophobicContact CE1-CG2 4.04Å; F66-V70 HydrophobicContact CZ-CG2 4.3Å; F66-V70 PolarHBondContact O-N 3.39Å; F66-F302 HydrophobicContact CD1-CZ 4.41Å; F66-F302 HydrophobicContact CE1-CD1 4.09Å; F66-F302 HydrophobicContact CE1-CD2 4.43Å; F66-F302 AromaticContact CE1-CE1 3.57Å; F66-F302 HydrophobicContact CE1-CE1 3.57Å; F66-F302 AromaticContact CE1-CE2 3.97Å; F66-F302 HydrophobicContact CE1-CE2 3.97Å; F66-F302 AromaticContact CE1-CZ 3.54Å; F66-F302 HydrophobicContact CE1-CZ 3.54Å; F66-F302 HydrophobicContact CZ-CD1 4.19Å; F66-F302 HydrophobicContact CZ-CE1 4.11Å; F66-F302 HydrophobicContact CZ-CZ 4.4Å; F66-Y325 HydrophobicContact CZ-CD1 4.31Å; F66-Y325 HydrophobicContact CZ-CE1 4.26Å
67L82.7Confident72.6Confident56 Ų5685.1 Ų85.129%0.29347%0.466SS..Hα-helixtrans-60.2-39.9176.8-16569.5000111.7D63 G64 V70 K71 I309D63-L67 PolarHBondContact O-N 3.34Å; D63-L67 VanDerWaalsContact O-N 3.16Å; G64-L67 PolarHBondContact O-N 2.94Å; L67-V70 PolarHBondContact O-N 3.41Å; L67-K71 WeakPolarHBondContact O-CG 3.02Å; L67-K71 PolarHBondContact O-N 3.29Å; L67-K71 VanDerWaalsContact O-N 3.11Å; L67-I309 HydrophobicContact CD1-CG2 3.58Å; L67-I309 HydrophobicContact CG-CG2 4.39Å
68E86.3Confident74.6Confident76 Ų7679.8 Ų79.836%0.35543%0.432SS..Hα-helixtrans-70.3-34.6178.2-161.959.8-152.400111.7G64 D65 F66 K71 R72G64-E68 PolarHBondContact O-N 3.36Å; G64-E68 VanDerWaalsContact O-N 3.1Å; D65-E68 PolarHBondContact O-N 3.24Å; F66-E68 VanDerWaalsContact C-N 3.26Å; F66-E68 PolarHBondContact O-N 2.96Å; E68-K71 PolarHBondContact O-N 2.99Å; E68-K71 IonicContact OE2-NZ 2.81Å; E68-R72 VanDerWaalsContact CG-CZ 3.48Å; E68-R72 WeakPolarHBondContact O-CG 3.49Å; E68-R72 PolarHBondContact O-N 2.9Å
69A87Confident76.9Confident47 Ų4778.9 Ų78.939%0.38843%0.428SS..Hα-helixtrans-61.6-42.6171.400000112.2D65 F66 R72 H73D65-A69 PolarHBondContact O-N 3.26Å; F66-A69 WeakPolarHBondContact O-CB 3.4Å; F66-A69 PolarHBondContact O-N 2.88Å; F66-A69 VanDerWaalsContact O-N 3.16Å; A69-R72 PolarHBondContact O-N 3.47Å; A69-H73 WeakPolarHBondContact O-CB 3.48Å; A69-H73 PolarHBondContact O-N 3.41Å
70V86.9Confident79Confident16 Ų1674 Ų7410%0.09739%0.394CS..Hα-helixtrans-59.9-47.4175.3170.50000111.2F66 L67 R72 H73 I74 F302 I304F66-V70 HydrophobicContact CD1-CG2 4.41Å; F66-V70 HydrophobicContact CE1-CG2 4.04Å; F66-V70 HydrophobicContact CZ-CG2 4.3Å; F66-V70 PolarHBondContact O-N 3.39Å; L67-V70 PolarHBondContact O-N 3.41Å; V70-R72 PolarHBondContact O-N 3.05Å; V70-H73 WeakPolarHBondContact O-CB 2.88Å; V70-H73 PolarHBondContact O-N 3.04Å; V70-I74 HydrophobicContact CG1-CD1 3.81Å; V70-I74 WeakPolarHBondContact O-CD1 3.4Å; V70-I74 WeakPolarHBondContact O-CG1 3.35Å; V70-I74 PolarHBondContact O-N 2.8Å; V70-F302 HydrophobicContact CG2-CE1 4.26Å; V70-I304 HydrophobicContact CG1-CD1 3.52Å; V70-I304 HydrophobicContact CG1-CG1 3.95Å; V70-I304 HydrophobicContact CG1-CG2 4.09Å; V70-I304 HydrophobicContact CG2-CD1 4.46Å
71K90.2Very high80.7Confident44 Ų4481.9 Ų81.919%0.19140%0.398CS..Hα-helixtrans-58.8-49.6177.4-72.6177.4-176.4169.40111.6L67 E68 H73 I74 L75 I309 W311L67-K71 WeakPolarHBondContact O-CG 3.02Å; L67-K71 PolarHBondContact O-N 3.29Å; L67-K71 VanDerWaalsContact O-N 3.11Å; E68-K71 PolarHBondContact O-N 2.99Å; E68-K71 IonicContact OE2-NZ 2.81Å; K71-H73 VanDerWaalsContact C-N 3.28Å; K71-H73 PolarHBondContact O-N 3.33Å; K71-I74 PolarHBondContact O-N 3.37Å; K71-L75 PolarHBondContact O-N 3.06Å; K71-I309 HydrophobicContact CG-CD1 4.48Å; K71-W311 HydrophobicContact CB-CH2 3.66Å; K71-W311 HydrophobicContact CB-CZ2 3.55Å; K71-W311 HydrophobicContact CD-CZ2 3.95Å; K71-W311 HydrophobicContact CG-CH2 3.93Å; K71-W311 HydrophobicContact CG-CZ2 3.52Å; K71-W311 VanDerWaalsContact O-CH2 3.31Å; K71-W311 WeakPolarHBondContact O-CH2 3.5Å
72R89.9Confident82.5Confident148 Ų14878 Ų7856%0.55839%0.39SS*.Hα-helixtrans-60-39.2177.2-68.9-175.7-148.5109.8-6112.1E68 A69 V70 S76E68-R72 VanDerWaalsContact CG-CZ 3.48Å; E68-R72 WeakPolarHBondContact O-CG 3.49Å; E68-R72 PolarHBondContact O-N 2.9Å; A69-R72 PolarHBondContact O-N 3.47Å; V70-R72 PolarHBondContact O-N 3.05Å; R72-S76 WeakPolarHBondContact O-CB 3.43Å; R72-S76 PolarHBondContact O-N 2.95Å
73H88.3Confident83.9Confident83 Ų8378.7 Ų78.738%0.38438%0.383SS..Hα-helixtrans-59.8-52.2176.3-179.177.3000111.1A69 V70 K71 L75 S76 R77A69-H73 WeakPolarHBondContact O-CB 3.48Å; A69-H73 PolarHBondContact O-N 3.41Å; V70-H73 WeakPolarHBondContact O-CB 2.88Å; V70-H73 PolarHBondContact O-N 3.04Å; K71-H73 VanDerWaalsContact C-N 3.28Å; K71-H73 PolarHBondContact O-N 3.33Å; H73-L75 PolarHBondContact O-N 2.62Å; H73-S76 WeakPolarHBondContact O-CB 3.5Å; H73-S76 PolarHBondContact O-N 3.03Å; H73-R77 WeakPolarHBondContact O-CG 3.35Å; H73-R77 PolarHBondContact O-N 3.17Å
74I87.6Confident84.6Confident0 Ų074 Ų740%036%0.358CS..Hα-helixtrans-59.1-47.1-179.5-62.1155.2000111.2V70 K71 S76 R77 L78 F306 I309 W311 Y321 M376 M393V70-I74 HydrophobicContact CG1-CD1 3.81Å; V70-I74 WeakPolarHBondContact O-CD1 3.4Å; V70-I74 WeakPolarHBondContact O-CG1 3.35Å; V70-I74 PolarHBondContact O-N 2.8Å; K71-I74 PolarHBondContact O-N 3.37Å; I74-S76 VanDerWaalsContact C-N 3.34Å; I74-S76 PolarHBondContact O-N 2.74Å; I74-R77 PolarHBondContact O-N 3.06Å; I74-L78 HydrophobicContact CG2-CD1 3.77Å; I74-L78 HydrophobicContact CG2-CG 4.33Å; I74-L78 WeakPolarHBondContact O-CB 3.44Å; I74-L78 WeakPolarHBondContact O-CG 3.1Å; I74-L78 PolarHBondContact O-N 2.72Å; I74-F306 HydrophobicContact CD1-CE1 3.91Å; I74-I309 HydrophobicContact CD1-CD1 4.14Å; I74-W311 HydrophobicContact CB-CH2 4.36Å; I74-W311 HydrophobicContact CB-CZ3 3.71Å; I74-W311 HydrophobicContact CD1-CE3 4.23Å; I74-W311 HydrophobicContact CD1-CZ3 3.83Å; I74-W311 HydrophobicContact CG1-CZ3 4.4Å; I74-W311 HydrophobicContact CG2-CE3 4.36Å; I74-W311 HydrophobicContact CG2-CZ3 3.63Å; I74-Y321 HydrophobicContact CD1-CE1 4.47Å; I74-Y321 HydrophobicContact CG1-CE1 4.5Å; I74-M376 HydrophobicContact CG2-CE 4.42Å; I74-M393 HydrophobicContact CB-CE 4.2Å; I74-M393 HydrophobicContact CG1-CE 3.71Å; I74-M393 HydrophobicContact CG2-CE 4.1Å
75L89.4Confident84.9Confident22 Ų2277.7 Ų77.712%0.11537%0.366CS..Hα-helixtrans-59.1-45177.7-73.2168.8000111.8K71 H73 R77 L78 Q79 L80 E82 W311 W314K71-L75 PolarHBondContact O-N 3.06Å; H73-L75 PolarHBondContact O-N 2.62Å; L75-R77 PolarHBondContact O-N 2.83Å; L75-L78 CarbonylContact O-C 3.51Å; L75-L78 PolarHBondContact O-N 2.02Å; L75-Q79 PolarHBondContact O-N 3.44Å; L75-L80 CarbonylContact C-O 3.53Å; L75-L80 HydrophobicContact CD2-CB 3.77Å; L75-L80 HydrophobicContact CD2-CD1 4.4Å; L75-L80 PolarHBondContact O-N 2.89Å; L75-E82 WeakPolarHBondContact CD2-O 3.29Å; L75-W311 HydrophobicContact CD1-CH2 4.02Å; L75-W311 HydrophobicContact CD1-CZ2 4.29Å; L75-W311 HydrophobicContact CD2-CH2 4.18Å; L75-W311 HydrophobicContact CG-CH2 3.69Å; L75-W311 HydrophobicContact CG-CZ2 4.39Å; L75-W311 HydrophobicContact CG-CZ3 4.44Å; L75-W314 HydrophobicContact CD2-CH2 4.34Å; L75-W314 HydrophobicContact CD2-CZ2 4.43Å
76S87.8Confident84.6Confident86 Ų8673.5 Ų73.560%0.60134%0.344SS*.Hα-helixtrans-60.1-44.3176.3-179.90000112.3R72 H73 I74 L78 Q79R72-S76 WeakPolarHBondContact O-CB 3.43Å; R72-S76 PolarHBondContact O-N 2.95Å; H73-S76 WeakPolarHBondContact O-CB 3.5Å; H73-S76 PolarHBondContact O-N 3.03Å; I74-S76 VanDerWaalsContact C-N 3.34Å; I74-S76 PolarHBondContact O-N 2.74Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.09Å; S76-Q79 PolarHBondContact O-N 2.9Å; S76-Q79 VanDerWaalsContact O-N 3.16Å
77R85.4Confident83.8Confident69 Ų6973.7 Ų73.726%0.2635%0.351SS..Hα-helixtrans-66.5-35.6177.7-61.2-52.4-69.8174.35.6112.3H73 I74 L75 Q79 V390 P391 N392 M393H73-R77 WeakPolarHBondContact O-CG 3.35Å; H73-R77 PolarHBondContact O-N 3.17Å; I74-R77 PolarHBondContact O-N 3.06Å; L75-R77 PolarHBondContact O-N 2.83Å; R77-Q79 VanDerWaalsContact C-N 3.26Å; R77-V390 HydrophobicContact CB-CG1 3.61Å; R77-P391 VanDerWaalsContact CZ-O 3.31Å; R77-P391 PolarHBondContact NE-O 2.89Å; R77-P391 PolarHBondContact NH2-O 3.37Å; R77-N392 PolarHBondContact NE-O 3.35Å; R77-N392 PolarHBondContact NH2-ND2 2.79Å; R77-M393 HydrophobicContact CB-SD 3.92Å; R77-M393 HydrophobicContact CG-SD 3.77Å
78L80.8Confident82.7Confident2 Ų277.9 Ų77.91%0.0137%0.369CS..Hα-helixtrans-77.7-11.5175.2-68.2176.5000113.5I74 L75 S76 L80 W314 M376 Y378 R388 V390I74-L78 HydrophobicContact CG2-CD1 3.77Å; I74-L78 HydrophobicContact CG2-CG 4.33Å; I74-L78 WeakPolarHBondContact O-CB 3.44Å; I74-L78 WeakPolarHBondContact O-CG 3.1Å; I74-L78 PolarHBondContact O-N 2.72Å; L75-L78 CarbonylContact O-C 3.51Å; L75-L78 PolarHBondContact O-N 2.02Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.09Å; L78-L80 VanDerWaalsContact C-N 3.28Å; L78-L80 HydrophobicContact CB-CD1 4.08Å; L78-L80 HydrophobicContact CB-CG 4.08Å; L78-L80 HydrophobicContact CD1-CD1 4.32Å; L78-W314 HydrophobicContact CD1-CH2 3.62Å; L78-W314 HydrophobicContact CD1-CZ3 4Å; L78-M376 HydrophobicContact CD1-CE 4.27Å; L78-M376 HydrophobicContact CD2-SD 4Å; L78-Y378 HydrophobicContact CD2-CD1 4.19Å; L78-Y378 HydrophobicContact CD2-CE1 3.64Å; L78-R388 PolarHBondContact O-NH1 3.48Å; L78-V390 HydrophobicContact CD2-CG2 3.53Å
79Q84.3Confident81.4Confident145 Ų14580 Ų8068%0.67839%0.389SS*.THydrogen-bonded Turntrans64.830.9-175.1-54.9168.6-18.800113L75 S76 R77 R388L75-Q79 PolarHBondContact O-N 3.44Å; S76-Q79 PolarHBondContact O-N 2.9Å; S76-Q79 VanDerWaalsContact O-N 3.16Å; R77-Q79 VanDerWaalsContact C-N 3.26Å; Q79-R388 VanDerWaalsContact CD-NH2 3.27Å; Q79-R388 VanDerWaalsContact OE1-NH1 3.12Å
80L80.6Confident80Confident26 Ų2679.6 Ų79.614%0.13638%0.381CS..  trans-98.9144.5173.6-61.9174.4000109.3L75 L78 P84 W314 Y378L75-L80 CarbonylContact C-O 3.53Å; L75-L80 HydrophobicContact CD2-CB 3.77Å; L75-L80 HydrophobicContact CD2-CD1 4.4Å; L75-L80 PolarHBondContact O-N 2.89Å; L78-L80 VanDerWaalsContact C-N 3.28Å; L78-L80 HydrophobicContact CB-CD1 4.08Å; L78-L80 HydrophobicContact CB-CG 4.08Å; L78-L80 HydrophobicContact CD1-CD1 4.32Å; L80-P84 HydrophobicContact CD1-CG 4.26Å; L80-W314 HydrophobicContact CD1-CH2 3.8Å; L80-W314 HydrophobicContact CD1-CZ3 3.59Å; L80-Y378 HydrophobicContact CD1-CD2 4.41Å; L80-Y378 HydrophobicContact CD1-CE2 4.06Å
81R83.8Confident78.8Confident249 Ų24983.1 Ų83.194%0.9441%0.405SS*.SBendtrans-81.8-40177.7-69-177177.9-177.10.1111.8
82E87Confident77.4Confident143 Ų14390 Ų9067%0.66843%0.43SS*.SBendtrans-143.4171.6179.261.2-173.1167.800109.6L75L75-E82 WeakPolarHBondContact CD2-O 3.29Å
83R85.3Confident75.9Confident100 Ų10086.4 Ų86.438%0.37743%0.432SS..  trans-67.8134.1175.6163.3175.6164.7-171.5-4.9109.6G310 D313 W314R83-G310 VanDerWaalsContact CZ-O 3.3Å; R83-G310 PolarHBondContact NH1-O 3.48Å; R83-G310 PolarHBondContact NH2-O 2.88Å; R83-D313 IonicContact CZ-OD1 3.96Å; R83-D313 VanDerWaalsContact CZ-OD1 3.27Å; R83-D313 IonicContact CZ-OD2 3.79Å; R83-D313 IonicContact NE-OD1 3.39Å; R83-D313 IonicContact NE-OD2 2.83Å; R83-D313 PolarHBondContact NE-OD2 3.38Å; R83-D313 IonicContact NH1-OD1 3.8Å; R83-D313 IonicContact NH2-OD1 3.83Å; R83-D313 PolarHBondContact NH2-OD1 2.81Å; R83-D313 IonicContact NH2-OD2 2.93Å; R83-D313 PolarHBondContact NH2-OD2 2.99Å; R83-W314 HydrophobicContact CG-CD2 4.45Å; R83-W314 HydrophobicContact CG-CG 4.24Å
84P83.3Confident74.5Confident2 Ų285 Ų851%0.01343%0.434CS..  trans-58.7136.7173.2-24.734.2000112.3L80 I86 W314 F379 D381L80-P84 HydrophobicContact CD1-CG 4.26Å; P84-I86 PolarHBondContact O-N 3.37Å; P84-W314 HydrophobicContact CG-CD2 4.42Å; P84-W314 HydrophobicContact CG-CE3 3.92Å; P84-W314 HydrophobicContact CG-CZ3 4.26Å; P84-F379 WeakPolarHBondContact CG-O 3.1Å; P84-D381 WeakPolarHBondContact CA-OD1 3.45Å; P84-D381 WeakPolarHBondContact CB-OD1 3.24Å; P84-D381 WeakPolarHBondContact CG-OD1 3.25Å
85N79.7Confident73.3Confident125 Ų12586.5 Ų86.567%0.66844%0.441SS*.  trans-85.394.5179.5-176.28.8000110.8T87 Y383N85-T87 PolarHBondContact O-N 3.01Å; N85-Y383 PolarHBondContact O-OH 2.7Å
86I71.6Confident71.9Confident33 Ų3388 Ų8817%0.16945%0.451CS..  trans-86.495.4178.1-53.9-168.6000110.4P84 D313 W314 F379 Y383P84-I86 PolarHBondContact O-N 3.37Å; I86-D313 WeakPolarHBondContact CD1-O 3.36Å; I86-W314 HydrophobicContact CD1-CB 3.28Å; I86-W314 HydrophobicContact CG1-CB 3.96Å; I86-F379 HydrophobicContact CD1-CB 3.7Å; I86-F379 HydrophobicContact CD1-CD2 3.36Å; I86-F379 HydrophobicContact CD1-CE2 4.15Å; I86-F379 HydrophobicContact CD1-CG 3.73Å; I86-Y383 HydrophobicContact CB-CE1 4.48Å; I86-Y383 HydrophobicContact CG2-CE1 4.19Å
87T62.7Low70.5Confident76 Ų7688 Ų8847%0.46645%0.447SS..  trans-80.1-22.9-179.357.70000113.8N85 Y383N85-T87 PolarHBondContact O-N 3.01Å; T87-Y383 PolarHBondContact N-OH 3.32Å; T87-Y383 PolarHBondContact OG1-OH 3.49Å
88H59.8Low69.2Low144 Ų14486 Ų8667%0.66745%0.446SS*.SBendtrans-135.8124.8179.9-63.6-58.8000111.6V90H88-V90 PolarHBondContact O-N 2.88Å
89P58.3Low68.4Low119 Ų11986 Ų8677%0.77345%0.446SS*.PPolyproline II helixtrans-67.5127.7176.927-32.6000110.3
90V58Low67.3Low39 Ų3988.6 Ų88.624%0.23645%0.45CS..PPolyproline II helixtrans-60.7131.1177.1176.60000109.9H88 R92 A94 M95 F379H88-V90 PolarHBondContact O-N 2.88Å; V90-R92 PolarHBondContact O-N 3.48Å; V90-A94 HydrophobicContact CG1-CB 4.05Å; V90-M95 HydrophobicContact CB-CE 4.42Å; V90-F379 HydrophobicContact CB-CE1 4.26Å; V90-F379 HydrophobicContact CB-CZ 3.98Å; V90-F379 HydrophobicContact CG2-CD1 4.48Å; V90-F379 HydrophobicContact CG2-CE1 3.47Å; V90-F379 VanDerWaalsContact CG2-CE1 3.47Å; V90-F379 HydrophobicContact CG2-CZ 3.58Å
91P60.5Low66.4Low91 Ų9195.4 Ų95.459%0.59148%0.478SS*.PPolyproline II helixtrans-54.1130.2179.1-26.233.6000111.5A93 A94 M95P91-A93 PolarHBondContact O-N 3.25Å; P91-A94 WeakPolarHBondContact O-CB 3.38Å; P91-A94 PolarHBondContact O-N 3.21Å; P91-M95 PolarHBondContact O-N 2.85Å
92R62.1Low65Low189 Ų18987.2 Ų87.271%0.71345%0.453SS*.Hα-helixtrans-49.6-36.4-176.3-71.3-174.1179.3-172.5-0.9113.2V90 M95 V96V90-R92 PolarHBondContact O-N 3.48Å; R92-M95 PolarHBondContact O-N 2.99Å; R92-V96 WeakPolarHBondContact O-CG2 3.34Å; R92-V96 PolarHBondContact O-N 3.1Å
93A57.3Low63.8Low72 Ų7288.5 Ų88.560%0.59546%0.459SS*.Hα-helixtrans-65.3-37178.100000114P91 T97P91-A93 PolarHBondContact O-N 3.25Å; A93-T97 PolarHBondContact O-N 3.06Å; A93-T97 PolarHBondContact O-OG1 2.73Å
94A59.1Low62.4Low52 Ų5283.8 Ų83.843%0.4344%0.441SS..Hα-helixtrans-69.4-40.8175.800000110.6V90 P91 T97 A98V90-A94 HydrophobicContact CG1-CB 4.05Å; P91-A94 WeakPolarHBondContact O-CB 3.38Å; P91-A94 PolarHBondContact O-N 3.21Å; A94-T97 PolarHBondContact O-N 2.69Å; A94-A98 PolarHBondContact O-N 2.95Å
95M61.9Low61.1Low33 Ų3384.5 Ų84.516%0.16345%0.448CS..Hα-helixtrans-61.8-45176.3-167.7-177.1-66.400112.1V90 P91 R92 T97 A98 L99 I316 F379 I385V90-M95 HydrophobicContact CB-CE 4.42Å; P91-M95 PolarHBondContact O-N 2.85Å; R92-M95 PolarHBondContact O-N 2.99Å; M95-T97 VanDerWaalsContact C-N 3.29Å; M95-T97 PolarHBondContact O-N 2.84Å; M95-A98 PolarHBondContact O-N 3.29Å; M95-L99 HydrophobicContact CG-CD1 3.92Å; M95-L99 WeakPolarHBondContact O-CB 3.47Å; M95-L99 WeakPolarHBondContact O-CD1 3.5Å; M95-L99 VanDerWaalsContact O-CG 3.24Å; M95-L99 WeakPolarHBondContact O-CG 3.31Å; M95-L99 PolarHBondContact O-N 2.88Å; M95-I316 HydrophobicContact SD-CG2 4.2Å; M95-F379 HydrophobicContact CE-CZ 4.1Å; M95-I385 HydrophobicContact CG-CD1 4.5Å
96V60.6Low60.1Low52 Ų5285.9 Ų85.932%0.31545%0.449SS..Hα-helixtrans-58.4-42.3175.6173.80000111.5R92 R100 L107R92-V96 WeakPolarHBondContact O-CG2 3.34Å; R92-V96 PolarHBondContact O-N 3.1Å; V96-R100 WeakPolarHBondContact O-CB 3.21Å; V96-R100 PolarHBondContact O-N 2.79Å; V96-L107 HydrophobicContact CB-CD1 4.08Å; V96-L107 HydrophobicContact CG1-CD1 4.37Å; V96-L107 HydrophobicContact CG2-CD1 3.54Å; V96-L107 HydrophobicContact CG2-CD2 3.68Å; V96-L107 HydrophobicContact CG2-CG 4.13Å
97T59.1Low59.4Low86 Ų8687.1 Ų87.153%0.52846%0.455SS..Hα-helixtrans-68.8-43.5-179-55.90000111.1A93 A94 M95 R100 K101A93-T97 PolarHBondContact O-N 3.06Å; A93-T97 PolarHBondContact O-OG1 2.73Å; A94-T97 PolarHBondContact O-N 2.69Å; M95-T97 VanDerWaalsContact C-N 3.29Å; M95-T97 PolarHBondContact O-N 2.84Å; T97-R100 PolarHBondContact O-N 3.26Å; T97-K101 WeakPolarHBondContact O-CB 3.4Å; T97-K101 VanDerWaalsContact O-CG 3.29Å; T97-K101 WeakPolarHBondContact O-CG 3.39Å; T97-K101 PolarHBondContact O-N 2.88Å
98A57.7Low59.2Low29 Ų2990.1 Ų90.124%0.2446%0.458CS..Hα-helixtrans-62.8-46.4175.900000111.9A94 M95 R100 K101 L102 I385A94-A98 PolarHBondContact O-N 2.95Å; M95-A98 PolarHBondContact O-N 3.29Å; A98-R100 PolarHBondContact O-N 3.22Å; A98-K101 PolarHBondContact O-N 2.75Å; A98-K101 VanDerWaalsContact O-N 3.17Å; A98-L102 WeakPolarHBondContact O-CB 3.18Å; A98-L102 WeakPolarHBondContact O-CG 3.35Å; A98-L102 PolarHBondContact O-N 2.86Å; A98-I385 HydrophobicContact CB-CD1 3.89Å
99L62.9Low58.8Low1 Ų193.4 Ų93.41%0.00547%0.474CS..Hα-helixtrans-60.1-42.2177.5-76.8166.3000112.8M95 L102 H103 A104 L107 V113 L377M95-L99 HydrophobicContact CG-CD1 3.92Å; M95-L99 WeakPolarHBondContact O-CB 3.47Å; M95-L99 WeakPolarHBondContact O-CD1 3.5Å; M95-L99 VanDerWaalsContact O-CG 3.24Å; M95-L99 WeakPolarHBondContact O-CG 3.31Å; M95-L99 PolarHBondContact O-N 2.88Å; L99-L102 PolarHBondContact O-N 2.84Å; L99-H103 PolarHBondContact O-N 2.79Å; L99-A104 HydrophobicContact CD2-CB 4.15Å; L99-A104 PolarHBondContact O-N 2.88Å; L99-L107 HydrophobicContact CD1-CD1 3.47Å; L99-L107 VanDerWaalsContact CD1-CD1 3.47Å; L99-V113 HydrophobicContact CD1-CB 4.32Å; L99-V113 HydrophobicContact CD1-CG1 3.61Å; L99-V113 HydrophobicContact CD1-CG2 3.66Å; L99-V113 HydrophobicContact CD2-CG1 3.96Å; L99-V113 HydrophobicContact CG-CG1 4.44Å; L99-L377 HydrophobicContact CD2-CD2 3.27Å; L99-L377 HydrophobicContact CG-CD2 4.44Å
100R62.8Low58.8Low199 Ų19992 Ų9275%0.75146%0.46SS*.Hα-helixtrans-65.7-38.4175.9-173.8-177.6-83173.3-5.5111.7V96 T97 A98V96-R100 WeakPolarHBondContact O-CB 3.21Å; V96-R100 PolarHBondContact O-N 2.79Å; T97-R100 PolarHBondContact O-N 3.26Å; A98-R100 PolarHBondContact O-N 3.22Å
101K60.9Low58.8Low169 Ų16991.6 Ų91.674%0.73546%0.463SS*.Hα-helixtrans-72.8-32.8178.3-74.3-72.3-174.7177.20113.1T97 A98 H103T97-K101 WeakPolarHBondContact O-CB 3.4Å; T97-K101 VanDerWaalsContact O-CG 3.29Å; T97-K101 WeakPolarHBondContact O-CG 3.39Å; T97-K101 PolarHBondContact O-N 2.88Å; A98-K101 PolarHBondContact O-N 2.75Å; A98-K101 VanDerWaalsContact O-N 3.17Å; K101-H103 VanDerWaalsContact C-N 3.29Å; K101-H103 PolarHBondContact O-N 3.35Å
102L54.9Low58.8Low78 Ų7894.8 Ų94.841%0.40846%0.464SS..THydrogen-bonded Turntrans-83.91178.6-70.1168.2000113.5A98 L99 A104 I385A98-L102 WeakPolarHBondContact O-CB 3.18Å; A98-L102 WeakPolarHBondContact O-CG 3.35Å; A98-L102 PolarHBondContact O-N 2.86Å; L99-L102 PolarHBondContact O-N 2.84Å; L102-A104 HydrophobicContact CB-CB 3.59Å; L102-A104 PolarHBondContact O-N 3.27Å; L102-I385 HydrophobicContact CD1-CG2 4.19Å
103H62.2Low58.7Low170 Ų17087.2 Ų87.279%0.78744%0.438SS*.THydrogen-bonded Turntrans49.532.1-169.7-64.4-112.2000111.7L99 K101L99-H103 PolarHBondContact O-N 2.79Å; K101-H103 VanDerWaalsContact C-N 3.29Å; K101-H103 PolarHBondContact O-N 3.35Å
104A54.5Low58.6Low0 Ų087.1 Ų87.10%043%0.425CS..  trans-106.57.1-163.300000113L99 L102 I115 L377 K387L99-A104 HydrophobicContact CD2-CB 4.15Å; L99-A104 PolarHBondContact O-N 2.88Å; L102-A104 HydrophobicContact CB-CB 3.59Å; L102-A104 PolarHBondContact O-N 3.27Å; A104-I115 WeakPolarHBondContact O-CB 3.45Å; A104-I115 WeakPolarHBondContact O-CD1 3.49Å; A104-I115 WeakPolarHBondContact O-CG1 3.38Å; A104-I115 WeakPolarHBondContact O-CG2 3.14Å; A104-L377 HydrophobicContact CB-CD1 4.5Å; A104-K387 HydrophobicContact CB-CD 3.97Å
105G55.4Low58.5Low17 Ų1785.3 Ų85.318%0.17541%0.408CS..  trans160.2165.5171.700000115.9E114G105-E114 CarbonylContact C-O 3.59Å; G105-E114 WeakPolarHBondContact CA-O 3.48Å
106K59.2Low57.9Low155 Ų15589 Ų8967%0.67444%0.435SS*.EExtended strand (participates in β ladder)trans-109.2128.2168.8-69.7-178.8179.3176.70108.4E114K106-E114 PolarHBondContact N-O 2.72Å; K106-E114 PolarHBondContact O-N 2.9Å; K106-E114 VanDerWaalsContact O-O 3.09Å
107L56.7Low57.4Low59 Ų5989.9 Ų89.931%0.30944%0.443SS..EExtended strand (participates in β ladder)trans-79.7133168.4-8895.3000110.4V96 L99 V113V96-L107 HydrophobicContact CB-CD1 4.08Å; V96-L107 HydrophobicContact CG1-CD1 4.37Å; V96-L107 HydrophobicContact CG2-CD1 3.54Å; V96-L107 HydrophobicContact CG2-CD2 3.68Å; V96-L107 HydrophobicContact CG2-CG 4.13Å; L99-L107 HydrophobicContact CD1-CD1 3.47Å; L99-L107 VanDerWaalsContact CD1-CD1 3.47Å; L107-V113 HydrophobicContact CD1-CG2 4.13Å; L107-V113 HydrophobicContact CD2-CG2 4.28Å; L107-V113 HydrophobicContact CG-CG2 3.88Å
108R59.8Low57.1Low138 Ų13886.5 Ų86.552%0.52142%0.422SS..  trans-79.3159.4166-78.9-171.4143.7173-13.9110.8D110 G111 R112 E114R108-D110 WeakPolarHBondContact CB-OD1 2.99Å; R108-D110 PolarHBondContact O-N 3.08Å; R108-G111 PolarHBondContact O-N 2.7Å; R108-G111 VanDerWaalsContact O-N 3.07Å; R108-R112 PolarHBondContact N-O 3.05Å; R108-E114 WeakPolarHBondContact CD-OE1 3.39Å; R108-E114 WeakPolarHBondContact CD-OE2 3.31Å; R108-E114 HydrophobicContact CG-CG 4.14Å; R108-E114 IonicContact CZ-OE1 3.37Å; R108-E114 IonicContact CZ-OE2 3Å; R108-E114 VanDerWaalsContact NE-CD 3.27Å; R108-E114 IonicContact NE-OE1 2.78Å; R108-E114 PolarHBondContact NE-OE1 3.39Å; R108-E114 IonicContact NE-OE2 3.53Å; R108-E114 PolarHBondContact NE-OE2 3.22Å; R108-E114 IonicContact NH1-OE1 3.47Å; R108-E114 PolarHBondContact NH1-OE1 3.46Å; R108-E114 IonicContact NH2-OE1 3.07Å
109E51.5Low56.7Low213 Ų21391 Ų91100%0.99544%0.442SS*.THydrogen-bonded Turntrans-62.5-21.3179.3-75-173.2147.700113.5G111E109-G111 PolarHBondContact O-N 2.62Å
110D58.3Low56Low91 Ų9191 Ų9149%0.48744%0.442SS..THydrogen-bonded Turntrans-78-2.5175.567.5-9.5000113.8R108 R112R108-D110 WeakPolarHBondContact CB-OD1 2.99Å; R108-D110 PolarHBondContact O-N 3.08Å; D110-R112 WeakPolarHBondContact OD1-CB 3.04Å; D110-R112 PolarHBondContact OD1-N 3.42Å; D110-R112 VanDerWaalsContact OD2-CD 3.31Å; D110-R112 WeakPolarHBondContact OD2-CD 3.18Å; D110-R112 WeakPolarHBondContact OD2-CG 3.41Å; D110-R112 IonicContact OD2-NE 2.83Å
111G57.6Low55.1Low30 Ų3086.7 Ų86.731%0.30943%0.43SS..SBendtrans84.76.7-178.300000114.6R108 E109R108-G111 PolarHBondContact O-N 2.7Å; R108-G111 VanDerWaalsContact O-N 3.07Å; E109-G111 PolarHBondContact O-N 2.62Å
112R59.5Low54.1Low158 Ų15880.6 Ų80.660%0.59641%0.408SS*.  trans-83.8139.1172.1-63.6-175.6-179.5177.83110.7R108 D110R108-R112 PolarHBondContact N-O 3.05Å; D110-R112 WeakPolarHBondContact OD1-CB 3.04Å; D110-R112 PolarHBondContact OD1-N 3.42Å; D110-R112 VanDerWaalsContact OD2-CD 3.31Å; D110-R112 WeakPolarHBondContact OD2-CD 3.18Å; D110-R112 WeakPolarHBondContact OD2-CG 3.41Å; D110-R112 IonicContact OD2-NE 2.83Å
113V60Low53.4Low29 Ų2982.3 Ų82.318%0.17642%0.415CS..EExtended strand (participates in β ladder)trans-91.7113.1176-179.10000108.4L99 L107 I115 I316L99-V113 HydrophobicContact CD1-CB 4.32Å; L99-V113 HydrophobicContact CD1-CG1 3.61Å; L99-V113 HydrophobicContact CD1-CG2 3.66Å; L99-V113 HydrophobicContact CD2-CG1 3.96Å; L99-V113 HydrophobicContact CG-CG1 4.44Å; L107-V113 HydrophobicContact CD1-CG2 4.13Å; L107-V113 HydrophobicContact CD2-CG2 4.28Å; L107-V113 HydrophobicContact CG-CG2 3.88Å; V113-I115 HydrophobicContact CG1-CG1 4.11Å; V113-I316 HydrophobicContact CG2-CG2 4.27Å
114E56.3Low52.2Low71 Ų7176.2 Ų76.233%0.33239%0.391SS..EExtended strand (participates in β ladder)trans-99.3114.8172.4-74.6-172.316200110.1G105 K106 R108G105-E114 CarbonylContact C-O 3.59Å; G105-E114 WeakPolarHBondContact CA-O 3.48Å; K106-E114 PolarHBondContact N-O 2.72Å; K106-E114 PolarHBondContact O-N 2.9Å; K106-E114 VanDerWaalsContact O-O 3.09Å; R108-E114 WeakPolarHBondContact CD-OE1 3.39Å; R108-E114 WeakPolarHBondContact CD-OE2 3.31Å; R108-E114 HydrophobicContact CG-CG 4.14Å; R108-E114 IonicContact CZ-OE1 3.37Å; R108-E114 IonicContact CZ-OE2 3Å; R108-E114 VanDerWaalsContact NE-CD 3.27Å; R108-E114 IonicContact NE-OE1 2.78Å; R108-E114 PolarHBondContact NE-OE1 3.39Å; R108-E114 IonicContact NE-OE2 3.53Å; R108-E114 PolarHBondContact NE-OE2 3.22Å; R108-E114 IonicContact NH1-OE1 3.47Å; R108-E114 PolarHBondContact NH1-OE1 3.46Å; R108-E114 IonicContact NH2-OE1 3.07Å
115I56.8Low51.6Low14 Ų1482.6 Ų82.67%0.07243%0.426CS..  trans-94.1126.2174.9-47.9-172.3000107.3A104 V113 S117 L118 A317 L377A104-I115 WeakPolarHBondContact O-CB 3.45Å; A104-I115 WeakPolarHBondContact O-CD1 3.49Å; A104-I115 WeakPolarHBondContact O-CG1 3.38Å; A104-I115 WeakPolarHBondContact O-CG2 3.14Å; V113-I115 HydrophobicContact CG1-CG1 4.11Å; I115-S117 PolarHBondContact O-N 2.95Å; I115-L118 HydrophobicContact CB-CB 3.75Å; I115-L118 HydrophobicContact CB-CD1 3.82Å; I115-L118 HydrophobicContact CB-CG 4.44Å; I115-L118 HydrophobicContact CD1-CD1 3.7Å; I115-L118 HydrophobicContact CG1-CD1 4.24Å; I115-L118 HydrophobicContact CG2-CB 4.21Å; I115-L118 HydrophobicContact CG2-CD1 3.77Å; I115-L118 PolarHBondContact O-N 3.49Å; I115-A317 HydrophobicContact CD1-CB 3.39Å; I115-A317 HydrophobicContact CG1-CB 3.95Å; I115-L377 HydrophobicContact CD1-CB 4.1Å; I115-L377 HydrophobicContact CD1-CD2 4.12Å
116P49.7Very low50.6Low110 Ų11088.8 Ų88.871%0.71445%0.45SS*.THydrogen-bonded Turntrans-58.910.4-172.9-25.933.1000117.9
117S50Low49.8Very low71 Ų7187.1 Ų87.150%0.49745%0.453SS..THydrogen-bonded Turntrans-144.719-174.3-168.80000113.1I115I115-S117 PolarHBondContact O-N 2.95Å
118L51.5Low49.1Very low14 Ų1489.7 Ų89.77%0.07347%0.466CS..  trans-144.738.4-154.8-112.4167.8000115.5I115 G120 P318 M374 S375I115-L118 HydrophobicContact CB-CB 3.75Å; I115-L118 HydrophobicContact CB-CD1 3.82Å; I115-L118 HydrophobicContact CB-CG 4.44Å; I115-L118 HydrophobicContact CD1-CD1 3.7Å; I115-L118 HydrophobicContact CG1-CD1 4.24Å; I115-L118 HydrophobicContact CG2-CB 4.21Å; I115-L118 HydrophobicContact CG2-CD1 3.77Å; I115-L118 PolarHBondContact O-N 3.49Å; L118-G120 PolarHBondContact O-N 2.86Å; L118-G120 VanDerWaalsContact O-N 3.12Å; L118-P318 HydrophobicContact CD2-CB 3.89Å; L118-P318 HydrophobicContact CD2-CG 4.17Å; L118-P318 WeakPolarHBondContact O-CB 3.48Å; L118-M374 HydrophobicContact CD2-CE 3.61Å; L118-S375 WeakPolarHBondContact CD2-O 3.33Å
119D51.2Low48.6Very low125 Ų12587.1 Ų87.167%0.66846%0.46SS*.SBendtrans-79.721.8177.1-75.8-30.6000114.5H121D119-H121 PolarHBondContact O-N 3.04Å; D119-H121 PolarHBondContact O-ND1 3.12Å
120G46.8Very low48.7Very low0 Ų081 Ų810%043%0.432CS..SBendtrans64.3-5176.500000115.5L118 G320 Y321 F322L118-G120 PolarHBondContact O-N 2.86Å; L118-G120 VanDerWaalsContact O-N 3.12Å; G120-G320 VanDerWaalsContact CA-O 3.29Å; G120-G320 WeakPolarHBondContact CA-O 3.44Å; G120-Y321 WeakPolarHBondContact O-CA 3.3Å; G120-F322 WeakPolarHBondContact O-CD2 3.38Å; G120-F322 PolarHBondContact O-N 2.66Å
121H44.7Very low48.8Very low108 Ų10879.7 Ų79.750%0.543%0.429SS..SBendtrans-64.7152.5161.8-70.651000106.8D119 M123D119-H121 PolarHBondContact O-N 3.04Å; D119-H121 PolarHBondContact O-ND1 3.12Å; H121-M123 PolarHBondContact O-N 3.45Å
122P40.4Very low49.4Very low42 Ų4279.6 Ų79.627%0.27342%0.424SS..  trans-44.1149.5156.723.9-33.1000106.8S124P122-S124 WeakPolarHBondContact O-CA 3.48Å; P122-S124 PolarHBondContact O-N 3.3Å
123M39.8Very low50.4Low113 Ų11377.2 Ų77.256%0.55742%0.42SS*.SBendtrans-43.1101.1157.7-79.5-67-60.300105H121 N125H121-M123 PolarHBondContact O-N 3.45Å; M123-N125 PolarHBondContact O-N 3.18Å
124S36.1Very low51.5Low42 Ų4277.1 Ų77.129%0.29442%0.418SS..  trans-70.1126.4-156.655.30000102.1P122 E126P122-S124 WeakPolarHBondContact O-CA 3.48Å; P122-S124 PolarHBondContact O-N 3.3Å; S124-E126 PolarHBondContact O-N 2.78Å; S124-E126 WeakPolarHBondContact OG-CB 3.33Å; S124-E126 PolarHBondContact OG-OE2 2.83Å
125N42.5Very low52.8Low134 Ų13478.2 Ų78.272%0.71743%0.425SS*.  trans-64.437.7151.8-84.7-16.6000109.3M123 V127M123-N125 PolarHBondContact O-N 3.18Å; N125-V127 PolarHBondContact O-N 3.15Å
126E35.3Very low54.1Low148 Ų14878 Ų7869%0.69243%0.425SS*.SBendtrans-68.879.1147-73.1176.8138.700105.9S124 L128S124-E126 PolarHBondContact O-N 2.78Å; S124-E126 WeakPolarHBondContact OG-CB 3.33Å; S124-E126 PolarHBondContact OG-OE2 2.83Å; E126-L128 VanDerWaalsContact C-N 3.33Å; E126-L128 PolarHBondContact O-N 2.98Å
127V41.8Very low55.9Low120 Ų12077.8 Ų77.873%0.72741%0.413SS*.SBendtrans5248.5155-158.40000113.4N125 E129N125-V127 PolarHBondContact O-N 3.15Å; V127-E129 HydrophobicContact CG1-CG 4.02Å; V127-E129 PolarHBondContact O-N 3.07Å
128L42.5Very low57.7Low113 Ų11374.4 Ų74.459%0.59239%0.389SS*.  trans-75.587.1130.3-82.9153.5000104E126 E130E126-L128 VanDerWaalsContact C-N 3.33Å; E126-L128 PolarHBondContact O-N 2.98Å; L128-E130 PolarHBondContact O-N 3.09Å; L128-E130 VanDerWaalsContact O-N 3.1Å
129E48.1Very low59.3Low83 Ų8377.2 Ų77.239%0.38840%0.402SS..  trans-33.9124.6145.6-72.1-177.114600105.3V127 S131 R275V127-E129 HydrophobicContact CG1-CG 4.02Å; V127-E129 PolarHBondContact O-N 3.07Å; E129-S131 WeakPolarHBondContact O-CA 3.39Å; E129-S131 VanDerWaalsContact O-CB 3.24Å; E129-S131 WeakPolarHBondContact O-CB 3.39Å; E129-S131 PolarHBondContact O-N 2.82Å; E129-S131 PolarHBondContact O-OG 3.19Å; E129-R275 HydrophobicContact CB-CB 4.12Å; E129-R275 VanDerWaalsContact OE1-CD 3.28Å; E129-R275 WeakPolarHBondContact OE1-CD 2.93Å; E129-R275 IonicContact OE1-CZ 2.88Å; E129-R275 IonicContact OE1-NE 3.62Å; E129-R275 IonicContact OE1-NH1 3.34Å; E129-R275 PolarHBondContact OE1-NH1 3.02Å; E129-R275 VanDerWaalsContact OE2-CD 3.32Å; E129-R275 WeakPolarHBondContact OE2-CD 3.37Å
130E53.8Low60.7Low86 Ų8674.7 Ų74.740%0.40239%0.385SS..  trans-52.986.7177.4-75.4172.2-166.400107.1L128 S132 Q276 R284L128-E130 PolarHBondContact O-N 3.09Å; L128-E130 VanDerWaalsContact O-N 3.1Å; E130-S132 PolarHBondContact O-N 3.47Å; E130-Q276 HydrophobicContact CB-CB 4.4Å; E130-Q276 PolarHBondContact O-N 3.48Å; E130-Q276 PolarHBondContact OE2-NE2 2.89Å; E130-Q276 PolarHBondContact OE2-OE1 3.48Å; E130-R284 IonicContact OE1-CZ 3.36Å; E130-R284 IonicContact OE1-NH1 2.9Å; E130-R284 PolarHBondContact OE1-NH1 3Å; E130-R284 IonicContact OE1-NH2 3.27Å; E130-R284 PolarHBondContact OE1-NH2 3.1Å; E130-R284 IonicContact OE2-NH2 3.46Å
131S59.6Low62Low62 Ų6276.8 Ų76.843%0.43440%0.396SS..EExtended strand (participates in β ladder)trans-98.685.7-166.138.70000103.1E129 E133 A274E129-S131 WeakPolarHBondContact O-CA 3.39Å; E129-S131 VanDerWaalsContact O-CB 3.24Å; E129-S131 WeakPolarHBondContact O-CB 3.39Å; E129-S131 PolarHBondContact O-N 2.82Å; E129-S131 PolarHBondContact O-OG 3.19Å; S131-E133 PolarHBondContact O-N 3.12Å; S131-A274 CarbonylContact C-O 3.56Å; S131-A274 VanDerWaalsContact CA-O 3.32Å; S131-A274 WeakPolarHBondContact CA-O 3.44Å
132S71.3Confident63.1Low29 Ų2979.5 Ų79.520%0.20341%0.414CS..EExtended strand (participates in β ladder)trans-62.8121.9175.1-58.40000107.7E130 R273 A274E130-S132 PolarHBondContact O-N 3.47Å; S132-R273 WeakPolarHBondContact O-CA 3.32Å; S132-A274 PolarHBondContact N-O 2.96Å; S132-A274 PolarHBondContact O-N 2.78Å
133E79.4Confident64.4Low108 Ų10884.9 Ų84.951%0.50544%0.44SS..EExtended strand (participates in β ladder)trans-99.2108.1167.1-168.8160.8-134.900108S131 V271 V272 R273S131-E133 PolarHBondContact O-N 3.12Å; E133-V271 HydrophobicContact CG-CG1 3.76Å; E133-V271 WeakPolarHBondContact OE1-CG1 3.17Å; E133-V272 CarbonylContact C-O 3.53Å; E133-V272 WeakPolarHBondContact CA-O 2.93Å; E133-R273 HydrophobicContact CG-CG 4.36Å; E133-R273 IonicContact OE1-CZ 3.48Å; E133-R273 IonicContact OE1-NE 3.13Å; E133-R273 PolarHBondContact OE1-NE 3.14Å; E133-R273 IonicContact OE1-NH2 2.99Å; E133-R273 PolarHBondContact OE1-NH2 3.33Å; E133-R273 VanDerWaalsContact OE1-NH2 3.12Å
134I83.1Confident65.8Low26 Ų2681.8 Ų81.813%0.13343%0.427CS..EExtended strand (participates in β ladder)trans-101.8126.4-178.8-59.2160.3000107.6I154 L162 F232 V271 V272I134-I154 HydrophobicContact CG2-CG2 4.03Å; I134-L162 HydrophobicContact CD1-CD1 3.98Å; I134-F232 HydrophobicContact CD1-CE1 4.35Å; I134-F232 HydrophobicContact CD1-CZ 4.06Å; I134-V271 WeakPolarHBondContact O-CA 3.13Å; I134-V272 HydrophobicContact CB-CB 4.27Å; I134-V272 PolarHBondContact N-O 2.97Å; I134-V272 PolarHBondContact O-N 2.78Å
135I83.8Confident67.1Low95 Ų9586.5 Ų86.549%0.48746%0.455SS..EExtended strand (participates in β ladder)trans-110.8119175.2-56.2177.2000108.2F137 F269 L270 V271I135-F137 HydrophobicContact CG2-CE2 4.23Å; I135-F137 HydrophobicContact CG2-CZ 4.19Å; I135-F269 HydrophobicContact CG2-CB 4.15Å; I135-F269 HydrophobicContact CG2-CD2 4.03Å; I135-F269 HydrophobicContact CG2-CG 4.4Å; I135-L270 WeakPolarHBondContact CA-O 3.5Å; I135-V271 HydrophobicContact CG1-CG2 4.49Å
136S85.8Confident68.7Low9 Ų982 Ų826%0.06343%0.433CS..EExtended strand (participates in β ladder)trans-116.3129.2177.5-55.30000109.6F152 L153 F269 L270S136-F152 WeakPolarHBondContact O-CD1 3.28Å; S136-F152 WeakPolarHBondContact O-CE1 3.5Å; S136-L153 PolarHBondContact OG-O 3.12Å; S136-F269 CarbonylContact O-C 3.39Å; S136-F269 VanDerWaalsContact O-CA 3.24Å; S136-F269 WeakPolarHBondContact O-CA 3.29Å; S136-L270 PolarHBondContact N-O 3.22Å; S136-L270 PolarHBondContact O-N 2.97Å
137F86.5Confident70.6Confident106 Ų10683.9 Ų83.947%0.46544%0.439SS..EExtended strand (participates in β ladder)trans-88.3148.7177.9-66.6-84000111I135 F269I135-F137 HydrophobicContact CG2-CE2 4.23Å; I135-F137 HydrophobicContact CG2-CZ 4.19Å; F137-F269 HydrophobicContact CD1-CB 3.78Å; F137-F269 HydrophobicContact CE1-CB 3.97Å; F137-F269 HydrophobicContact CE1-CG 4.48Å; F137-F269 HydrophobicContact CG-CB 4.46Å
138A87.7Confident72.7Confident0 Ų079.6 Ų79.60%042%0.415CS..  trans-69.2132.517900000111.5L150 F152 R267 P268A138-L150 HydrophobicContact CB-CB 4.31Å; A138-L150 HydrophobicContact CB-CD1 4.1Å; A138-L150 HydrophobicContact CB-CD2 4.3Å; A138-L150 HydrophobicContact CB-CG 4.48Å; A138-F152 HydrophobicContact CB-CE1 3.72Å; A138-F152 HydrophobicContact CB-CE2 4.24Å; A138-F152 HydrophobicContact CB-CZ 3.57Å; A138-R267 PolarHBondContact O-NE 2.9Å; A138-R267 PolarHBondContact O-NH2 2.86Å; A138-P268 HydrophobicContact CB-CB 3.86Å; A138-P268 HydrophobicContact CB-CG 4.42Å; A138-P268 PolarHBondContact N-O 2.91Å
139E85.8Confident74.9Confident73 Ų7375.3 Ų75.334%0.34139%0.394SS..BIsolated β-bridgetrans-113163.4171.8-69.8177-150.100110.4L150 F151E139-L150 CarbonylContact O-C 3.59Å; E139-L150 WeakPolarHBondContact O-CA 3.28Å; E139-F151 HydrophobicContact CB-CD1 4.2Å; E139-F151 HydrophobicContact CB-CD2 4.06Å; E139-F151 HydrophobicContact CB-CE1 3.72Å; E139-F151 HydrophobicContact CB-CE2 3.54Å; E139-F151 HydrophobicContact CB-CG 4.36Å; E139-F151 HydrophobicContact CB-CZ 3.35Å; E139-F151 HydrophobicContact CG-CE2 4.32Å; E139-F151 HydrophobicContact CG-CZ 4.35Å; E139-F151 PolarHBondContact N-O 3Å; E139-F151 PolarHBondContact O-N 3.02Å; E139-F151 VanDerWaalsContact OE2-CE2 3.28Å; E139-F151 WeakPolarHBondContact OE2-CE2 3.4Å; E139-F151 VanDerWaalsContact OE2-CZ 3.29Å; E139-F151 WeakPolarHBondContact OE2-CZ 3.2Å
140K79.6Confident76.9Confident71 Ų7171.5 Ų71.531%0.30938%0.376SS..  trans-125.2140.5176.7-174.5179.6-178.7-168.80109.1V144 S146 F151 M259K140-V144 VanDerWaalsContact CE-O 3.25Å; K140-V144 WeakPolarHBondContact CE-O 3.35Å; K140-V144 PolarHBondContact NZ-O 3.37Å; K140-S146 WeakPolarHBondContact CE-O 3.44Å; K140-S146 PolarHBondContact NZ-O 3.21Å; K140-S146 VanDerWaalsContact NZ-O 3.13Å; K140-F151 VanDerWaalsContact C-CE1 3.43Å; K140-M259 HydrophobicContact CB-CE 3.68Å; K140-M259 HydrophobicContact CB-SD 3.53Å; K140-M259 VanDerWaalsContact CB-SD 3.53Å; K140-M259 PolarHBondContact N-SD 3.34Å
141D74.9Confident78.6Confident44 Ų4468.4 Ų68.424%0.23536%0.362CS..  trans-81.7120.8173.6-157.5-38.8000108.2L143 V144 F151 R239D141-L143 PolarHBondContact O-N 3Å; D141-L143 VanDerWaalsContact O-N 3.11Å; D141-L143 PolarHBondContact OD1-N 3.42Å; D141-V144 HydrophobicContact CB-CB 4.15Å; D141-V144 HydrophobicContact CB-CG2 3.76Å; D141-V144 PolarHBondContact O-N 2.85Å; D141-F151 HydrophobicContact CB-CD1 4.46Å; D141-F151 HydrophobicContact CB-CE1 4.22Å; D141-R239 IonicContact OD2-CZ 3.96Å; D141-R239 IonicContact OD2-NH1 3.98Å; D141-R239 IonicContact OD2-NH2 3.64Å; D141-R239 PolarHBondContact OD2-NH2 3.16Å
142D68.2Low80Confident165 Ų16565.4 Ų65.488%0.88234%0.341SS*.THydrogen-bonded Turntrans-60-23.7-178.7-71.5-31.9000112.1
143L66.8Low80.7Confident156 Ų15668 Ų6882%0.81735%0.352SS*.THydrogen-bonded Turntrans-80.8-16.1178.7-59.4173.2000113.2D141D141-L143 PolarHBondContact O-N 3Å; D141-L143 VanDerWaalsContact O-N 3.11Å; D141-L143 PolarHBondContact OD1-N 3.42Å
144V69.3Low80.9Confident48 Ų4863 Ų6329%0.29133%0.329SS..  trans-93.4114-178177.60000110.2K140 D141 S146K140-V144 VanDerWaalsContact CE-O 3.25Å; K140-V144 WeakPolarHBondContact CE-O 3.35Å; K140-V144 PolarHBondContact NZ-O 3.37Å; D141-V144 HydrophobicContact CB-CB 4.15Å; D141-V144 HydrophobicContact CB-CG2 3.76Å; D141-V144 PolarHBondContact O-N 2.85Å; V144-S146 VanDerWaalsContact C-N 3.27Å; V144-S146 WeakPolarHBondContact CG1-OG 3.47Å; V144-S146 PolarHBondContact O-N 3.06Å
145T64.2Low80.5Confident141 Ų14165 Ų6587%0.86535%0.345SS*.  trans-71.1-19.3-17755.60000113.6
146S74.3Confident79.7Confident39 Ų3962.1 Ų62.127%0.27333%0.331SS..  trans-70.1137.7-179.373.20000111.4K140 V144 S148 S149K140-S146 WeakPolarHBondContact CE-O 3.44Å; K140-S146 PolarHBondContact NZ-O 3.21Å; K140-S146 VanDerWaalsContact NZ-O 3.13Å; V144-S146 VanDerWaalsContact C-N 3.27Å; V144-S146 WeakPolarHBondContact CG1-OG 3.47Å; V144-S146 PolarHBondContact O-N 3.06Å; S146-S148 VanDerWaalsContact C-N 3.29Å; S146-S149 WeakPolarHBondContact OG-CB 3.5Å; S146-S149 PolarHBondContact OG-N 2.83Å
147K76.9Confident78.1Confident187 Ų18770.1 Ų70.181%0.81337%0.367SS*.SBendtrans-83.5-9.4176-64.4-178.5-179177.50112.6
148S85.4Confident76.4Confident30 Ų3068.6 Ų68.621%0.2138%0.382CS..SBendtrans-98.6-15.8-176.552.50000114.2S146 D243 V244S146-S148 VanDerWaalsContact C-N 3.29Å; S148-D243 VanDerWaalsContact CB-OD1 3.23Å; S148-D243 WeakPolarHBondContact CB-OD1 3.45Å; S148-D243 PolarHBondContact OG-OD1 2.88Å; S148-V244 VanDerWaalsContact CB-O 3.27Å; S148-V244 WeakPolarHBondContact CB-O 3.42Å; S148-V244 PolarHBondContact O-N 2.82Å
149S88.4Confident75Confident23 Ų2371.3 Ų71.316%0.16140%0.396CS..EExtended strand (participates in β ladder)trans-84.7131.4-179.6-176.50000111.1S146 L242S146-S149 WeakPolarHBondContact OG-CB 3.5Å; S146-S149 PolarHBondContact OG-N 2.83Å; S149-L242 WeakPolarHBondContact CA-O 3.45Å
150L89.4Confident73.6Confident3 Ų375.6 Ų75.62%0.01642%0.416CS..EExtended strand (participates in β ladder)trans-136.4153.4179.2-59.8173.7000108.8A138 E139 L242 L258 M259 P268A138-L150 HydrophobicContact CB-CB 4.31Å; A138-L150 HydrophobicContact CB-CD1 4.1Å; A138-L150 HydrophobicContact CB-CD2 4.3Å; A138-L150 HydrophobicContact CB-CG 4.48Å; E139-L150 CarbonylContact O-C 3.59Å; E139-L150 WeakPolarHBondContact O-CA 3.28Å; L150-L242 PolarHBondContact N-O 3.15Å; L150-L242 PolarHBondContact O-N 2.89Å; L150-L242 VanDerWaalsContact O-O 3.07Å; L150-L258 HydrophobicContact CD1-CB 4.13Å; L150-L258 HydrophobicContact CD1-CD2 4Å; L150-L258 HydrophobicContact CD2-CB 4.38Å; L150-M259 HydrophobicContact CD2-CB 4.44Å; L150-M259 HydrophobicContact CD2-CG 3.64Å; L150-M259 HydrophobicContact CD2-SD 3.72Å; L150-P268 HydrophobicContact CD1-CG 4.21Å
151F90Very high73.1Confident21 Ų2177.4 Ų77.49%0.09243%0.429CS..EExtended strand (participates in β ladder)trans-131.7157.1168.372.4-93000111.8E139 K140 D141 L153 R239 Q240 N241E139-F151 HydrophobicContact CB-CD1 4.2Å; E139-F151 HydrophobicContact CB-CD2 4.06Å; E139-F151 HydrophobicContact CB-CE1 3.72Å; E139-F151 HydrophobicContact CB-CE2 3.54Å; E139-F151 HydrophobicContact CB-CG 4.36Å; E139-F151 HydrophobicContact CB-CZ 3.35Å; E139-F151 HydrophobicContact CG-CE2 4.32Å; E139-F151 HydrophobicContact CG-CZ 4.35Å; E139-F151 PolarHBondContact N-O 3Å; E139-F151 PolarHBondContact O-N 3.02Å; E139-F151 VanDerWaalsContact OE2-CE2 3.28Å; E139-F151 WeakPolarHBondContact OE2-CE2 3.4Å; E139-F151 VanDerWaalsContact OE2-CZ 3.29Å; E139-F151 WeakPolarHBondContact OE2-CZ 3.2Å; K140-F151 VanDerWaalsContact C-CE1 3.43Å; D141-F151 HydrophobicContact CB-CD1 4.46Å; D141-F151 HydrophobicContact CB-CE1 4.22Å; F151-L153 HydrophobicContact CD2-CD2 4.34Å; F151-L153 HydrophobicContact CD2-CG 4.12Å; F151-L153 HydrophobicContact CE2-CD1 4.06Å; F151-L153 HydrophobicContact CE2-CD2 4.22Å; F151-L153 HydrophobicContact CE2-CG 3.81Å; F151-R239 HydrophobicContact CB-CG 4.14Å; F151-R239 HydrophobicContact CD2-CG 4.1Å; F151-R239 HydrophobicContact CG-CG 4.37Å; F151-Q240 CarbonylContact C-O 3.59Å; F151-Q240 VanDerWaalsContact CA-O 3.25Å; F151-Q240 WeakPolarHBondContact CA-O 3.49Å; F151-N241 WeakPolarHBondContact CB-OD1 3.43Å
152F89.1Confident73.3Confident0 Ų076 Ų760%042%0.422CS..EExtended strand (participates in β ladder)trans-123129.7175.9-64.1-94.7000109.1S136 A138 I154 L169 R239 Q240 L242 L270S136-F152 WeakPolarHBondContact O-CD1 3.28Å; S136-F152 WeakPolarHBondContact O-CE1 3.5Å; A138-F152 HydrophobicContact CB-CE1 3.72Å; A138-F152 HydrophobicContact CB-CE2 4.24Å; A138-F152 HydrophobicContact CB-CZ 3.57Å; F152-I154 HydrophobicContact CB-CG1 4.43Å; F152-L169 HydrophobicContact CE1-CD1 4.32Å; F152-L169 HydrophobicContact CE2-CD1 3.99Å; F152-L169 HydrophobicContact CZ-CD1 3.48Å; F152-L169 VanDerWaalsContact CZ-CD1 3.48Å; F152-R239 WeakPolarHBondContact O-CA 3.45Å; F152-Q240 PolarHBondContact N-O 3.34Å; F152-Q240 PolarHBondContact O-N 3.23Å; F152-L242 HydrophobicContact CD2-CD1 4Å; F152-L242 HydrophobicContact CD2-CG 4.34Å; F152-L242 HydrophobicContact CE2-CD1 3.5Å; F152-L242 VanDerWaalsContact CE2-CD1 3.5Å; F152-L242 HydrophobicContact CE2-CG 4.2Å; F152-L242 HydrophobicContact CZ-CD1 4.49Å; F152-L270 HydrophobicContact CB-CD2 4.33Å; F152-L270 HydrophobicContact CD1-CB 3.65Å; F152-L270 HydrophobicContact CE1-CB 3.79Å; F152-L270 HydrophobicContact CG-CB 4.19Å; F152-L270 HydrophobicContact CG-CD2 4.32Å; F152-L270 HydrophobicContact CZ-CB 4.44Å
153L86.2Confident74Confident83 Ų8372.3 Ų72.344%0.43540%0.399SS..EExtended strand (participates in β ladder)trans-94.3108.9167.3-64.7174000108.1S136 F151 S155 R239S136-L153 PolarHBondContact OG-O 3.12Å; F151-L153 HydrophobicContact CD2-CD2 4.34Å; F151-L153 HydrophobicContact CD2-CG 4.12Å; F151-L153 HydrophobicContact CE2-CD1 4.06Å; F151-L153 HydrophobicContact CE2-CD2 4.22Å; F151-L153 HydrophobicContact CE2-CG 3.81Å; L153-S155 PolarHBondContact O-N 3.43Å; L153-R239 HydrophobicContact CD2-CB 4.08Å; L153-R239 HydrophobicContact CD2-CG 4.4Å
154I84.4Confident74.9Confident3 Ų365.1 Ų65.12%0.01536%0.361CS..  trans-91.5100.3-176-45.8174.3000109I134 F152 V228 F232 R238 Q240 L270 V272I134-I154 HydrophobicContact CG2-CG2 4.03Å; F152-I154 HydrophobicContact CB-CG1 4.43Å; I154-V228 HydrophobicContact CD1-CG1 3.74Å; I154-V228 HydrophobicContact CD1-CG2 4.17Å; I154-F232 HydrophobicContact CB-CE2 4.08Å; I154-F232 HydrophobicContact CD1-CE2 4.21Å; I154-F232 HydrophobicContact CG2-CE2 3.54Å; I154-F232 HydrophobicContact CG2-CZ 3.62Å; I154-R238 PolarHBondContact N-O 3.45Å; I154-R238 VanDerWaalsContact N-O 3.13Å; I154-R238 WeakPolarHBondContact O-CD 3.42Å; I154-Q240 HydrophobicContact CD1-CB 4.45Å; I154-L270 HydrophobicContact CD1-CD2 3.69Å; I154-L270 HydrophobicContact CG1-CD2 4.15Å; I154-V272 HydrophobicContact CG2-CG2 4.25Å
155S73.6Confident75.9Confident68 Ų6865.8 Ų65.848%0.47637%0.366SS..  trans-67.5154.1179.8-169.80000111.9L153L153-S155 PolarHBondContact O-N 3.43Å
156N66.1Low77.1Confident35 Ų3563.2 Ų63.219%0.18734%0.344CS..  trans-145.373.8175.7178.234.1000108.1G158 N159 L162 R238N156-G158 VanDerWaalsContact C-N 3.29Å; N156-G158 PolarHBondContact O-N 2.78Å; N156-N159 PolarHBondContact ND2-O 2.6Å; N156-N159 WeakPolarHBondContact OD1-CB 3.38Å; N156-N159 PolarHBondContact OD1-O 2.65Å; N156-L162 WeakPolarHBondContact OD1-CD1 3.18Å; N156-R238 VanDerWaalsContact CG-NH1 3.3Å; N156-R238 PolarHBondContact ND2-NH1 2.9Å; N156-R238 PolarHBondContact ND2-NH2 2.84Å
157E52.8Low78Confident176 Ų17661.4 Ų61.482%0.82233%0.331SS*.SBendtrans-62.288.3179.3-66.1-170.5158.700110.3N159E157-N159 PolarHBondContact O-N 3.07Å
158G51.6Low78.9Confident75 Ų7553.6 Ų53.677%0.77330%0.299SS*.SBendtrans86.6-8.7166.500000117.6N156N156-G158 VanDerWaalsContact C-N 3.29Å; N156-G158 PolarHBondContact O-N 2.78Å
159N57.2Low79.3Confident57 Ų5752.2 Ų52.231%0.30529%0.289SS..  trans-96.698.3-175.3-70.8-34.6000112.9N156 E157 L162N156-N159 PolarHBondContact ND2-O 2.6Å; N156-N159 WeakPolarHBondContact OD1-CB 3.38Å; N156-N159 PolarHBondContact OD1-O 2.65Å; E157-N159 PolarHBondContact O-N 3.07Å; N159-L162 HydrophobicContact CB-CD1 4.07Å; N159-L162 HydrophobicContact CB-CD2 4.02Å; N159-L162 HydrophobicContact CB-CG 3.92Å
160Q57.8Low79.6Confident162 Ų16255.2 Ų55.276%0.75730%0.297SS*.THydrogen-bonded Turntrans-73.9137.7170.4-59.1-156.6-11.300110.1
161N69.3Low79.8Confident109 Ų10955.1 Ų55.158%0.58330%0.297SS*.THydrogen-bonded Turntrans75.747.1177.7-44.2-40.3000116.6A277N161-A277 HydrophobicContact CB-CB 4.33Å; N161-A277 VanDerWaalsContact O-CB 3.27Å; N161-A277 WeakPolarHBondContact O-CB 3.35Å; N161-A277 PolarHBondContact O-N 2.84Å
162L77.3Confident79.9Confident16 Ų1655.7 Ų55.78%0.08430%0.299CS..EExtended strand (participates in β ladder)trans-78.3128.6167.5-69.6-179.9000111.2I134 N156 N159 F232 A274 R275 Q276I134-L162 HydrophobicContact CD1-CD1 3.98Å; N156-L162 WeakPolarHBondContact OD1-CD1 3.18Å; N159-L162 HydrophobicContact CB-CD1 4.07Å; N159-L162 HydrophobicContact CB-CD2 4.02Å; N159-L162 HydrophobicContact CB-CG 3.92Å; L162-F232 HydrophobicContact CB-CD1 3.99Å; L162-F232 HydrophobicContact CB-CE1 3.95Å; L162-F232 HydrophobicContact CD1-CE1 4.09Å; L162-A274 HydrophobicContact CB-CB 3.96Å; L162-A274 HydrophobicContact CD1-CB 4.36Å; L162-A274 HydrophobicContact CD2-CB 4.43Å; L162-A274 HydrophobicContact CG-CB 4.49Å; L162-R275 CarbonylContact C-O 3.58Å; L162-Q276 HydrophobicContact CD2-CB 4.41Å
163Q83.4Confident80.1Confident87 Ų8755.7 Ų55.741%0.40730%0.299SS..EExtended strand (participates in β ladder)trans-101117.6169.4-172.117716.900110T165 A274 R275 A277Q163-T165 PolarHBondContact O-N 3.25Å; Q163-A274 CarbonylContact O-C 3.59Å; Q163-A274 VanDerWaalsContact O-CA 3.26Å; Q163-A274 WeakPolarHBondContact O-CA 3.26Å; Q163-R275 HydrophobicContact CB-CG 4.06Å; Q163-R275 PolarHBondContact N-O 3.23Å; Q163-R275 PolarHBondContact O-N 3.23Å; Q163-R275 VanDerWaalsContact OE1-CZ 3.26Å; Q163-R275 VanDerWaalsContact OE1-NE 3.09Å; Q163-A277 HydrophobicContact CB-CB 4.21Å
164V87.1Confident80.3Confident4 Ų456.1 Ų56.12%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-70.9116-178.4177.60000110.1A167 T225 V228 R229 F232 V272 A274V164-A167 HydrophobicContact CG1-CB 4.29Å; V164-T225 HydrophobicContact CG1-CG2 4.33Å; V164-V228 HydrophobicContact CG1-CG1 4.18Å; V164-V228 HydrophobicContact CG2-CG1 4.11Å; V164-R229 HydrophobicContact CB-CG 3.73Å; V164-R229 HydrophobicContact CG1-CG 4.22Å; V164-R229 PolarHBondContact O-NE 3.38Å; V164-F232 HydrophobicContact CG2-CB 3.96Å; V164-F232 HydrophobicContact CG2-CD1 3.76Å; V164-F232 HydrophobicContact CG2-CD2 3.68Å; V164-F232 HydrophobicContact CG2-CE1 4.14Å; V164-F232 HydrophobicContact CG2-CE2 4.06Å; V164-F232 HydrophobicContact CG2-CG 3.51Å; V164-F232 HydrophobicContact CG2-CZ 4.28Å; V164-V272 HydrophobicContact CB-CG1 4.44Å; V164-V272 HydrophobicContact CG1-CG1 3.78Å; V164-V272 HydrophobicContact CG2-CG1 3.93Å; V164-A274 HydrophobicContact CG2-CB 4.33Å
165T88.4Confident80.6Confident63 Ų6357.5 Ų57.539%0.38730%0.304SS..EExtended strand (participates in β ladder)trans-86-40.5176.454.80000111Q163 T225 R273 R275Q163-T165 PolarHBondContact O-N 3.25Å; T165-T225 WeakPolarHBondContact O-CG2 3.49Å; T165-R273 PolarHBondContact N-O 3.11Å; T165-R273 PolarHBondContact OG1-O 3.33Å; T165-R275 HydrophobicContact CG2-CB 4.07Å; T165-R275 HydrophobicContact CG2-CG 3.71Å
166Q91Very high81.3Confident87 Ų8757.8 Ų57.841%0.40730%0.3SS..EExtended strand (participates in β ladder)trans-149.3137.9-178.7-172.8177.418.200110.7R273Q166-R273 HydrophobicContact CB-CB 4.21Å; Q166-R273 PolarHBondContact N-O 3.01Å; Q166-R273 VanDerWaalsContact N-O 3.15Å; Q166-R273 PolarHBondContact O-N 3.02Å
167A92.8Very high82.1Confident0 Ų061.4 Ų61.40%033%0.325CS..EExtended strand (participates in β ladder)trans-132.6130.3167.300000111.3V164 L224 T225 V228 V271 V272V164-A167 HydrophobicContact CG1-CB 4.29Å; A167-L224 PolarHBondContact O-N 2.8Å; A167-T225 PolarHBondContact N-OG1 3.42Å; A167-T225 PolarHBondContact O-N 3.25Å; A167-T225 PolarHBondContact O-OG1 3.48Å; A167-V228 HydrophobicContact CB-CB 3.7Å; A167-V228 HydrophobicContact CB-CG1 4.08Å; A167-V228 HydrophobicContact CB-CG2 3.65Å; A167-V271 CarbonylContact C-O 3.56Å; A167-V271 VanDerWaalsContact CA-O 3.32Å; A167-V271 WeakPolarHBondContact CA-O 3.28Å; A167-V272 HydrophobicContact CB-CG2 4.24Å
168T94.9Very high83Confident23 Ų2356 Ų5614%0.14131%0.305CS..EExtended strand (participates in β ladder)trans-131.7118.7-174.2-53.50000110.6T221 F222 V271T168-T221 HydrophobicContact CG2-CG2 3.73Å; T168-F222 CarbonylContact C-O 3.53Å; T168-F222 WeakPolarHBondContact CA-O 3.35Å; T168-V271 PolarHBondContact N-O 3.25Å; T168-V271 PolarHBondContact O-N 2.89Å
169L94.9Very high83.8Confident1 Ų156.1 Ų56.11%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-82.5133.1170.7173.170.5000110.1F152 L171 V194 T221 F222 L224 L242 L270F152-L169 HydrophobicContact CE1-CD1 4.32Å; F152-L169 HydrophobicContact CE2-CD1 3.99Å; F152-L169 HydrophobicContact CZ-CD1 3.48Å; F152-L169 VanDerWaalsContact CZ-CD1 3.48Å; L169-L171 HydrophobicContact CD1-CD2 4.28Å; L169-L171 HydrophobicContact CD2-CD1 3.99Å; L169-L171 HydrophobicContact CD2-CD2 4.12Å; L169-L171 HydrophobicContact CD2-CG 3.93Å; L169-L171 HydrophobicContact CG-CD2 4.21Å; L169-L171 HydrophobicContact CG-CG 4.03Å; L169-V194 HydrophobicContact CD2-CG1 4.02Å; L169-V194 HydrophobicContact CD2-CG2 4.34Å; L169-T221 CarbonylContact O-C 3.55Å; L169-T221 VanDerWaalsContact O-CA 3.29Å; L169-T221 WeakPolarHBondContact O-CA 3.39Å; L169-F222 HydrophobicContact CB-CB 4.26Å; L169-F222 HydrophobicContact CD2-CB 4.5Å; L169-F222 PolarHBondContact N-O 2.73Å; L169-F222 PolarHBondContact O-N 3.24Å; L169-L224 HydrophobicContact CB-CD1 3.68Å; L169-L224 HydrophobicContact CB-CG 4.13Å; L169-L224 HydrophobicContact CD2-CD1 4.1Å; L169-L224 HydrophobicContact CG-CD1 4.39Å; L169-L242 HydrophobicContact CD1-CD1 4.27Å; L169-L242 HydrophobicContact CD2-CD1 3.85Å; L169-L270 HydrophobicContact CB-CD1 4.23Å
170W94.4Very high83.9Confident86 Ų8658.9 Ų58.933%0.32633%0.33SS..EExtended strand (participates in β ladder)trans-107.3120.3175-71.372.7000110.1W219 T221 P268 F269W170-W219 HydrophobicContact CB-CE3 3.95Å; W170-W219 HydrophobicContact CB-CZ3 4.12Å; W170-W219 HydrophobicContact CE3-CB 3.79Å; W170-W219 HydrophobicContact CE3-CD2 4.36Å; W170-W219 HydrophobicContact CE3-CE3 4.34Å; W170-W219 HydrophobicContact CE3-CG 4.16Å; W170-W219 HydrophobicContact CZ3-CB 3.96Å; W170-W219 HydrophobicContact CZ3-CG 4.48Å; W170-T221 HydrophobicContact CD2-CG2 3.77Å; W170-T221 HydrophobicContact CE3-CG2 4.1Å; W170-T221 HydrophobicContact CG-CG2 4.33Å; W170-T221 HydrophobicContact CH2-CG2 4.04Å; W170-T221 HydrophobicContact CZ2-CG2 3.72Å; W170-T221 HydrophobicContact CZ3-CG2 4.22Å; W170-P268 WeakPolarHBondContact O-CA 3.34Å; W170-F269 HydrophobicContact CB-CD1 4.02Å; W170-F269 HydrophobicContact CB-CD2 4.08Å; W170-F269 HydrophobicContact CB-CE1 3.67Å; W170-F269 HydrophobicContact CB-CE2 3.74Å; W170-F269 HydrophobicContact CB-CG 4.21Å; W170-F269 HydrophobicContact CB-CZ 3.52Å; W170-F269 AromaticContact CD1-CD2 3.99Å; W170-F269 AromaticContact CD1-CE2 3.47Å; W170-F269 VanDerWaalsContact CD1-CE2 3.47Å; W170-F269 AromaticContact CD1-CZ 3.98Å; W170-F269 AromaticContact CD2-CE2 3.87Å; W170-F269 HydrophobicContact CD2-CE2 3.87Å; W170-F269 AromaticContact CD2-CZ 3.63Å; W170-F269 HydrophobicContact CD2-CZ 3.63Å; W170-F269 AromaticContact CE3-CZ 3.94Å; W170-F269 HydrophobicContact CE3-CZ 3.94Å; W170-F269 HydrophobicContact CG-CD2 4.09Å; W170-F269 HydrophobicContact CG-CE1 4.12Å; W170-F269 AromaticContact CG-CE2 3.42Å; W170-F269 HydrophobicContact CG-CE2 3.42Å; W170-F269 VanDerWaalsContact CG-CE2 3.42Å; W170-F269 AromaticContact CG-CZ 3.43Å; W170-F269 HydrophobicContact CG-CZ 3.43Å; W170-F269 VanDerWaalsContact CG-CZ 3.43Å; W170-F269 PolarHBondContact N-O 2.75Å; W170-F269 AromaticContact NE1-CE2 3.95Å; W170-F269 PolarHBondContact O-N 3.24Å
171L93.4Very high84Confident1 Ų155.4 Ų55.41%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-120.2133.4175.5-64.2178.3000109.9L169 F173 V194 W219 H220 F222 V244 L258 P268L169-L171 HydrophobicContact CD1-CD2 4.28Å; L169-L171 HydrophobicContact CD2-CD1 3.99Å; L169-L171 HydrophobicContact CD2-CD2 4.12Å; L169-L171 HydrophobicContact CD2-CG 3.93Å; L169-L171 HydrophobicContact CG-CD2 4.21Å; L169-L171 HydrophobicContact CG-CG 4.03Å; L171-F173 HydrophobicContact CB-CD2 4.47Å; L171-F173 HydrophobicContact CB-CE2 3.64Å; L171-F173 HydrophobicContact CB-CZ 4.04Å; L171-F173 HydrophobicContact CD1-CZ 4.33Å; L171-F173 WeakPolarHBondContact O-CD2 3.43Å; L171-V194 HydrophobicContact CD1-CG2 4.29Å; L171-W219 VanDerWaalsContact C-CE3 3.5Å; L171-H220 PolarHBondContact N-O 2.84Å; L171-H220 PolarHBondContact O-N 2.87Å; L171-F222 HydrophobicContact CB-CD2 4.48Å; L171-F222 HydrophobicContact CB-CE2 4.05Å; L171-F222 HydrophobicContact CD1-CD2 3.95Å; L171-F222 HydrophobicContact CD1-CE2 3.71Å; L171-F222 HydrophobicContact CD1-CZ 4.27Å; L171-F222 HydrophobicContact CG-CD2 4.21Å; L171-F222 HydrophobicContact CG-CE2 4.13Å; L171-V244 HydrophobicContact CD1-CG1 3.82Å; L171-V244 HydrophobicContact CD1-CG2 4.23Å; L171-L258 HydrophobicContact CD2-CD2 4.14Å; L171-P268 HydrophobicContact CD2-CB 3.81Å; L171-P268 HydrophobicContact CD2-CG 3.85Å
172Y92.8Very high83.7Confident34 Ų3452.9 Ų52.913%0.13333%0.332CS..EExtended strand (participates in β ladder)trans-94.8134.9175.2-172-99.4000110.7K174 S217 G218 W219 V257 H266Y172-K174 HydrophobicContact CE1-CB 4.38Å; Y172-S217 VanDerWaalsContact OH-CB 3.28Å; Y172-S217 WeakPolarHBondContact OH-CB 3.29Å; Y172-G218 VanDerWaalsContact CD2-C 3.5Å; Y172-W219 AromaticContact CD2-CD1 3.84Å; Y172-W219 AromaticContact CD2-CD2 3.82Å; Y172-W219 HydrophobicContact CD2-CD2 3.82Å; Y172-W219 AromaticContact CD2-CE2 3.69Å; Y172-W219 HydrophobicContact CD2-CE3 4.48Å; Y172-W219 AromaticContact CD2-CG 3.92Å; Y172-W219 HydrophobicContact CD2-CG 3.92Å; Y172-W219 HydrophobicContact CD2-CZ2 4.26Å; Y172-W219 AromaticContact CD2-NE1 3.68Å; Y172-W219 HydrophobicContact CG-CD2 4.39Å; Y172-W219 HydrophobicContact CG-CZ2 4.47Å; Y172-V257 HydrophobicContact CD1-CB 4.28Å; Y172-V257 HydrophobicContact CD1-CG2 3.78Å; Y172-V257 PolarHBondContact O-N 3.13Å; Y172-H266 HydrophobicContact CD1-CB 3.79Å; Y172-H266 AromaticContact CD1-CD2 3.42Å; Y172-H266 VanDerWaalsContact CD1-CD2 3.42Å; Y172-H266 WeakPolarHBondContact CD1-CD2 3.24Å; Y172-H266 AromaticContact CD1-CG 3.63Å; Y172-H266 AromaticContact CD2-CD2 3.53Å; Y172-H266 HydrophobicContact CE1-CB 4.42Å; Y172-H266 AromaticContact CE1-CD2 3.35Å; Y172-H266 WeakPolarHBondContact CE1-CD2 3.34Å; Y172-H266 AromaticContact CE1-CG 3.78Å; Y172-H266 AromaticContact CE1-NE2 3.6Å; Y172-H266 AromaticContact CE2-CD2 3.49Å; Y172-H266 VanDerWaalsContact CE2-CD2 3.49Å; Y172-H266 WeakPolarHBondContact CE2-CD2 3.32Å; Y172-H266 AromaticContact CE2-NE2 3.77Å; Y172-H266 HydrophobicContact CG-CB 3.96Å; Y172-H266 AromaticContact CG-CD2 3.48Å; Y172-H266 VanDerWaalsContact CG-CD2 3.48Å; Y172-H266 AromaticContact CG-CG 3.95Å; Y172-H266 AromaticContact CZ-CD2 3.37Å; Y172-H266 AromaticContact CZ-NE2 3.37Å
173F92.8Very high82.9Confident0 Ų060.7 Ų60.70%037%0.368CS..EExtended strand (participates in β ladder)trans-118.6124.2179.3-66.6-93.8000109.4L171 V192 L214 S217 G218 H220 F222 V254 P256L171-F173 HydrophobicContact CB-CD2 4.47Å; L171-F173 HydrophobicContact CB-CE2 3.64Å; L171-F173 HydrophobicContact CB-CZ 4.04Å; L171-F173 HydrophobicContact CD1-CZ 4.33Å; L171-F173 WeakPolarHBondContact O-CD2 3.43Å; F173-V192 HydrophobicContact CE1-CG2 3.58Å; F173-V192 HydrophobicContact CZ-CB 4.44Å; F173-V192 HydrophobicContact CZ-CG1 4.12Å; F173-V192 HydrophobicContact CZ-CG2 3.64Å; F173-L214 HydrophobicContact CB-CD2 3.48Å; F173-L214 VanDerWaalsContact CB-CD2 3.48Å; F173-L214 HydrophobicContact CG-CD2 4.34Å; F173-S217 CarbonylContact O-C 3.49Å; F173-S217 WeakPolarHBondContact O-CA 3.45Å; F173-S217 WeakPolarHBondContact O-CB 3.19Å; F173-G218 PolarHBondContact N-O 2.83Å; F173-G218 PolarHBondContact O-N 3.13Å; F173-H220 HydrophobicContact CD2-CB 4.13Å; F173-H220 AromaticContact CD2-CD2 3.77Å; F173-H220 HydrophobicContact CE2-CB 3.91Å; F173-F222 HydrophobicContact CE2-CE2 4.08Å; F173-F222 HydrophobicContact CE2-CZ 4.27Å; F173-F222 HydrophobicContact CZ-CE2 4.23Å; F173-F222 HydrophobicContact CZ-CZ 4.07Å; F173-V254 HydrophobicContact CB-CG1 4.16Å; F173-V254 HydrophobicContact CD1-CG1 4.02Å; F173-P256 HydrophobicContact CD1-CB 4.06Å; F173-P256 HydrophobicContact CE1-CB 3.84Å
174K91Very high81.8Confident91 Ų9162.8 Ų62.840%0.39639%0.387SS..EExtended strand (participates in β ladder)trans-97.8126.5178.3-169.8172.7-176.2171.10109.5Y172 V255 V257Y172-K174 HydrophobicContact CE1-CB 4.38Å; K174-V255 PolarHBondContact N-O 2.99Å; K174-V255 PolarHBondContact O-N 3.2Å; K174-V257 HydrophobicContact CB-CG2 4.32Å
175L90.4Very high80.6Confident33 Ų3369.6 Ų69.617%0.17341%0.412CS..EExtended strand (participates in β ladder)trans-81.4123.6167.5-66.7-174.7000109.2R188 L214 S217 V254L175-R188 HydrophobicContact CD2-CG 4.43Å; L175-L214 HydrophobicContact CD1-CB 4.29Å; L175-L214 HydrophobicContact CD2-CB 3.87Å; L175-L214 HydrophobicContact CD2-CD2 4.38Å; L175-L214 HydrophobicContact CG-CB 4.35Å; L175-S217 PolarHBondContact N-OG 3.01Å; L175-V254 HydrophobicContact CD2-CG2 3.72Å
176L87.8Confident79.8Confident74 Ų7469.4 Ų69.439%0.38742%0.422SS..PPolyproline II helixtrans-76143.3171.1-61.6179000109.8R188 G253 V255L176-R188 PolarHBondContact O-NH1 3.05Å; L176-R188 PolarHBondContact O-NH2 2.97Å; L176-G253 WeakPolarHBondContact CB-O 3.24Å; L176-G253 PolarHBondContact N-O 3.23Å; L176-V255 HydrophobicContact CD1-CG2 3.67Å; L176-V255 HydrophobicContact CD2-CG2 4.16Å; L176-V255 HydrophobicContact CG-CG2 3.88Å
177P82.4Confident79.4Confident111 Ų11170.2 Ų70.272%0.72143%0.425SS*.PPolyproline II helixtrans-51.8140.9170.3-2231.9000109.9A179P177-A179 PolarHBondContact O-N 3.32Å
178P72.9Confident79.2Confident61 Ų6171.5 Ų71.540%0.39643%0.429SS..PPolyproline II helixtrans-56.3142.4171.710.4-9.9000109.6A182P178-A182 HydrophobicContact CB-CB 4.09Å
179A68.4Low79.1Confident79 Ų7976.4 Ų76.465%0.65345%0.449SS*.PPolyproline II helixtrans-55.9143.3169.900000109P177 G181 A182P177-A179 PolarHBondContact O-N 3.32Å; A179-G181 PolarHBondContact O-N 2.89Å; A179-A182 WeakPolarHBondContact O-CB 3.35Å; A179-A182 PolarHBondContact O-N 2.77Å
180A59Low79.1Confident114 Ų11476.6 Ų76.694%0.94245%0.45SS*.THydrogen-bonded Turntrans-51.5115-177.500000110.4
181G59Low79.2Confident89 Ų8973.8 Ų73.892%0.91844%0.442SS*.THydrogen-bonded Turntrans102.5-3.9-178.400000116.4A179A179-G181 PolarHBondContact O-N 2.89Å
182A62.8Low79.4Confident57 Ų5773.8 Ų73.847%0.47144%0.442SS..  trans-86.5133.1173.200000111.5P178 A179P178-A182 HydrophobicContact CB-CB 4.09Å; A179-A182 WeakPolarHBondContact O-CB 3.35Å; A179-A182 PolarHBondContact O-N 2.77Å
183E61.6Low79.5Confident180 Ų18073.7 Ų73.784%0.84144%0.443SS*.  trans-54.8147.3172.3-73.7-166.9156.200111R185E183-R185 PolarHBondContact O-N 3.5Å
184V60Low79.6Confident131 Ų13173.7 Ų73.779%0.79444%0.443SS*.  trans-64.490.2172-1780000107.8G186V184-G186 PolarHBondContact O-N 3.09Å
185R61.2Low79.7Confident147 Ų14771.8 Ų71.856%0.55543%0.433SS*.  trans-51.7127.5168.7-96.4-173.9-176.3-166.91.7107.4E183 E252E183-R185 PolarHBondContact O-N 3.5Å; R185-E252 IonicContact CZ-OE1 3.79Å; R185-E252 IonicContact CZ-OE2 3.91Å; R185-E252 IonicContact NH1-OE1 3.92Å; R185-E252 PolarHBondContact NH1-OE1 2.76Å; R185-E252 IonicContact NH1-OE2 2.67Å; R185-E252 PolarHBondContact NH1-OE2 2.52Å
186G72.7Confident79.7Confident59 Ų5971.6 Ų71.661%0.60843%0.43SS*.SBendtrans-61-113.6178.600000112.6V184 R188V184-G186 PolarHBondContact O-N 3.09Å; G186-R188 PolarHBondContact O-N 2.92Å
187K82.1Confident79.6Confident104 Ų10470 Ų7045%0.45242%0.421SS..SBendtrans-73.7120.8177-64.6179.5178.3-174.30109.8E213 R215K187-E213 IonicContact NZ-OE2 3.97Å; K187-R215 HydrophobicContact CG-CG 4.01Å
188R88.8Confident79.4Confident26 Ų2666.8 Ų66.810%0.09840%0.396CS..EExtended strand (participates in β ladder)trans-86.9133.9171.4-52.8-155.3-167.6163.1-0.6109.6L175 L176 G186 E213 L214 E252 G253 V254L175-R188 HydrophobicContact CD2-CG 4.43Å; L176-R188 PolarHBondContact O-NH1 3.05Å; L176-R188 PolarHBondContact O-NH2 2.97Å; G186-R188 PolarHBondContact O-N 2.92Å; R188-E213 CarbonylContact O-C 3.5Å; R188-E213 WeakPolarHBondContact O-CA 3.27Å; R188-L214 PolarHBondContact N-O 2.9Å; R188-L214 PolarHBondContact O-N 2.82Å; R188-E252 HydrophobicContact CB-CB 4.32Å; R188-E252 WeakPolarHBondContact CD-O 2.93Å; R188-E252 PolarHBondContact NE-O 2.8Å; R188-E252 PolarHBondContact NH1-O 3.13Å; R188-G253 PolarHBondContact NH1-O 3.27Å; R188-V254 HydrophobicContact CB-CG2 4.31Å
189K92.8Very high79.2Confident127 Ų12765.5 Ų65.555%0.55239%0.388SS*.EExtended strand (participates in β ladder)trans-121.4122.1-177.1-53.3-165.2-173.2-156.40109.9V212 E213K189-V212 WeakPolarHBondContact CA-O 3.49Å; K189-E213 HydrophobicContact CD-CG 4.24Å; K189-E213 WeakPolarHBondContact CD-OE1 3.23Å; K189-E213 WeakPolarHBondContact CE-OE1 3.47Å; K189-E213 HydrophobicContact CG-CG 4.08Å; K189-E213 IonicContact NZ-OE1 3.12Å; K189-E213 PolarHBondContact NZ-OE1 2.8Å
190V95Very high78.9Confident4 Ų464.8 Ų64.82%0.02439%0.389CS..EExtended strand (participates in β ladder)trans-129.6155.4178.3-610000110V192 R211 V212 L214 E252 V254V190-V192 HydrophobicContact CG2-CG2 4.28Å; V190-R211 WeakPolarHBondContact O-CA 3.39Å; V190-V212 HydrophobicContact CG2-CB 3.99Å; V190-V212 PolarHBondContact N-O 2.76Å; V190-V212 PolarHBondContact O-N 2.91Å; V190-L214 HydrophobicContact CG2-CD1 3.97Å; V190-E252 HydrophobicContact CG1-CB 3.9Å; V190-E252 HydrophobicContact CG1-CG 4.04Å; V190-V254 HydrophobicContact CG1-CB 4.14Å; V190-V254 HydrophobicContact CG1-CG2 3.81Å; V190-V254 HydrophobicContact CG2-CG1 4.48Å
191T96.9Very high78.9Confident28 Ų2864.1 Ų64.117%0.17237%0.369CS..EExtended strand (participates in β ladder)trans-106.9120.6175.7-62.10000108.7K193 E209 E247T191-K193 HydrophobicContact CG2-CG 4.46Å; T191-E209 HydrophobicContact CG2-CG 3.67Å; T191-E209 WeakPolarHBondContact CG2-OE1 3.35Å; T191-E247 PolarHBondContact N-O 2.85Å; T191-E247 VanDerWaalsContact N-O 3.09Å; T191-E247 PolarHBondContact O-N 2.97Å
192V96.6Very high78.8Confident0 Ų063.5 Ų63.50%036%0.362CS..EExtended strand (participates in β ladder)trans-106.4128179.7-1770000109F173 V190 V194 E209 K210 V212 F222 V244F173-V192 HydrophobicContact CE1-CG2 3.58Å; F173-V192 HydrophobicContact CZ-CB 4.44Å; F173-V192 HydrophobicContact CZ-CG1 4.12Å; F173-V192 HydrophobicContact CZ-CG2 3.64Å; V190-V192 HydrophobicContact CG2-CG2 4.28Å; V192-V194 HydrophobicContact CG1-CG2 4.26Å; V192-E209 WeakPolarHBondContact O-CA 3.42Å; V192-K210 PolarHBondContact N-O 3.1Å; V192-K210 PolarHBondContact O-N 2.54Å; V192-V212 HydrophobicContact CB-CG2 4.32Å; V192-V212 HydrophobicContact CG2-CB 4.39Å; V192-V212 HydrophobicContact CG2-CG2 3.71Å; V192-F222 HydrophobicContact CB-CE1 3.73Å; V192-F222 HydrophobicContact CB-CZ 3.76Å; V192-F222 HydrophobicContact CG1-CE1 3.62Å; V192-F222 HydrophobicContact CG1-CZ 3.57Å; V192-F222 HydrophobicContact CG2-CZ 4.25Å; V192-V244 HydrophobicContact CG1-CG1 4.21Å
193K95.9Very high78.8Confident33 Ų3365.8 Ų65.814%0.14338%0.375CS..EExtended strand (participates in β ladder)trans-116.2111.1-179.4-71.6-175.7179.2171.80108.6T191 Y195 L207 E209 R245 E247T191-K193 HydrophobicContact CG2-CG 4.46Å; K193-Y195 HydrophobicContact CB-CE2 3.86Å; K193-L207 HydrophobicContact CB-CD1 3.53Å; K193-L207 HydrophobicContact CD-CD1 4.44Å; K193-L207 HydrophobicContact CD-CD2 4.42Å; K193-L207 HydrophobicContact CG-CD1 3.92Å; K193-E209 WeakPolarHBondContact CE-OE2 3.33Å; K193-E209 HydrophobicContact CG-CB 4.44Å; K193-E209 HydrophobicContact CG-CG 4.08Å; K193-R245 HydrophobicContact CB-CB 4.37Å; K193-R245 PolarHBondContact N-O 2.99Å; K193-R245 PolarHBondContact O-N 3.38Å; K193-E247 WeakPolarHBondContact CE-OE1 3.36Å; K193-E247 VanDerWaalsContact CE-OE2 3.31Å; K193-E247 WeakPolarHBondContact CE-OE2 3.33Å; K193-E247 IonicContact NZ-OE1 2.65Å; K193-E247 PolarHBondContact NZ-OE1 2.73Å; K193-E247 IonicContact NZ-OE2 3.75Å; K193-E247 PolarHBondContact NZ-OE2 3.38Å
194V94.7Very high79.4Confident0 Ų064.8 Ų64.80%036%0.363CS..EExtended strand (participates in β ladder)trans-101.8108.4176.7-1780000107.9L169 L171 V192 V208 F222 L224 L242L169-V194 HydrophobicContact CD2-CG1 4.02Å; L169-V194 HydrophobicContact CD2-CG2 4.34Å; L171-V194 HydrophobicContact CD1-CG2 4.29Å; V192-V194 HydrophobicContact CG1-CG2 4.26Å; V194-V208 HydrophobicContact CB-CB 4.42Å; V194-V208 PolarHBondContact N-O 2.97Å; V194-V208 PolarHBondContact O-N 2.94Å; V194-F222 HydrophobicContact CG2-CD1 3.78Å; V194-F222 HydrophobicContact CG2-CE1 4.12Å; V194-F222 HydrophobicContact CG2-CG 4.1Å; V194-L224 HydrophobicContact CG1-CD2 4.32Å; V194-L242 HydrophobicContact CG1-CD1 4.29Å; V194-L242 HydrophobicContact CG1-CD2 4.37Å
195Y92.9Very high80.5Confident50 Ų5063.6 Ų63.620%0.19634%0.344CS..EExtended strand (participates in β ladder)trans-87.2133.6173.8-63.7-89.2000109.3K193 W205 N206 L207 L242 D243 R245K193-Y195 HydrophobicContact CB-CE2 3.86Å; Y195-W205 HydrophobicContact CD1-CB 4.27Å; Y195-N206 CarbonylContact C-O 3.53Å; Y195-N206 WeakPolarHBondContact CA-O 3.39Å; Y195-L207 HydrophobicContact CD1-CB 4.29Å; Y195-L207 HydrophobicContact CD1-CD1 4.17Å; Y195-L207 HydrophobicContact CD2-CD1 4.4Å; Y195-L207 HydrophobicContact CE1-CB 4.22Å; Y195-L207 HydrophobicContact CE1-CD1 3.94Å; Y195-L207 HydrophobicContact CE1-CD2 4.39Å; Y195-L207 HydrophobicContact CE1-CG 4.41Å; Y195-L207 HydrophobicContact CE2-CD1 4.16Å; Y195-L207 HydrophobicContact CG-CD1 4.4Å; Y195-L242 CarbonylContact O-C 3.58Å; Y195-L242 WeakPolarHBondContact O-CA 3.24Å; Y195-D243 PolarHBondContact N-O 3.05Å; Y195-D243 PolarHBondContact O-N 3.39Å; Y195-R245 HydrophobicContact CD2-CG 4.24Å; Y195-R245 HydrophobicContact CE2-CB 4.36Å; Y195-R245 HydrophobicContact CE2-CG 4.03Å
196Y90.6Very high81.8Confident29 Ų2957.9 Ų57.911%0.11433%0.325CS..EExtended strand (participates in β ladder)trans-128.8144.6175.868.1-91.5000111.6W205 N206 V208 L224 A227Y196-W205 WeakPolarHBondContact O-CA 3.49Å; Y196-N206 HydrophobicContact CD1-CB 3.92Å; Y196-N206 HydrophobicContact CD2-CB 4.03Å; Y196-N206 HydrophobicContact CE1-CB 3.37Å; Y196-N206 HydrophobicContact CE2-CB 3.51Å; Y196-N206 WeakPolarHBondContact CE2-ND2 3.33Å; Y196-N206 HydrophobicContact CG-CB 4.22Å; Y196-N206 PolarHBondContact N-O 2.77Å; Y196-N206 PolarHBondContact O-N 2.58Å; Y196-N206 WeakPolarHBondContact OH-CB 3.37Å; Y196-V208 HydrophobicContact CD1-CG2 4.2Å; Y196-V208 HydrophobicContact CE1-CG2 3.86Å; Y196-L224 HydrophobicContact CD1-CD2 4.2Å; Y196-A227 HydrophobicContact CD1-CB 4.41Å; Y196-A227 HydrophobicContact CD2-CB 3.31Å; Y196-A227 HydrophobicContact CE1-CB 4.48Å; Y196-A227 HydrophobicContact CE2-CB 3.4Å; Y196-A227 VanDerWaalsContact CE2-CB 3.4Å; Y196-A227 HydrophobicContact CG-CB 3.85Å
197Q86.3Confident82.7Confident41 Ų4158.6 Ų58.619%0.19231%0.314CS..EExtended strand (participates in β ladder)trans-95.8135.5178.3-168.7177.111.500110.9L201 W205 Q240 N241Q197-L201 PolarHBondContact NE2-O 3Å; Q197-W205 HydrophobicContact CB-CE3 4.36Å; Q197-W205 HydrophobicContact CB-CH2 4.5Å; Q197-W205 HydrophobicContact CB-CZ3 4.36Å; Q197-Q240 PolarHBondContact O-NE2 3.46Å; Q197-N241 HydrophobicContact CB-CB 4.29Å; Q197-N241 PolarHBondContact N-O 2.92Å; Q197-N241 PolarHBondContact OE1-ND2 3.25Å
198E78.6Confident83.2Confident43 Ų4355.3 Ų55.320%0.20130%0.303CS..PPolyproline II helixtrans-79.5141.2171-73.7176.1-178.500111.5G200 N206 L230E198-G200 PolarHBondContact O-N 3.2Å; E198-N206 WeakPolarHBondContact CG-ND2 3.33Å; E198-N206 PolarHBondContact OE1-ND2 2.91Å; E198-L230 HydrophobicContact CG-CD1 3.84Å
199P67.6Low83.5Confident35 Ų3558.9 Ų58.923%0.22732%0.321CS..THydrogen-bonded Turntrans-65.4119.3-18024.2-31.7000111.7L230 V231 R234P199-L230 HydrophobicContact CG-CB 4.17Å; P199-V231 HydrophobicContact CG-CG2 4.16Å; P199-R234 PolarHBondContact O-NH1 3.44Å
200G62.1Low83.6Confident64 Ų6456.4 Ų56.466%0.6631%0.31SS*.THydrogen-bonded Turntrans96.6-2173.300000116.6E198E198-G200 PolarHBondContact O-N 3.2Å
201L59Low83.6Confident100 Ų10066 Ų6652%0.52435%0.346SS..  trans-112.697169.5-82145.3000108.4Q197 S203Q197-L201 PolarHBondContact NE2-O 3Å; L201-S203 PolarHBondContact O-N 2.8Å
202G57.1Low83.5Confident75 Ų7564.8 Ų64.877%0.77334%0.338SS*.THydrogen-bonded Turntrans-64.110.7-171.300000117.3
203S63.2Low83.4Confident106 Ų10669.1 Ų69.174%0.74136%0.358SS*.THydrogen-bonded Turntrans-148-14.9-173.3-164.60000116L201L201-S203 PolarHBondContact O-N 2.8Å
204R74.6Confident83.1Confident159 Ų15967.6 Ų67.660%0.635%0.352SS*.PPolyproline II helixtrans-90.5117.6-178.1-167.2178.6-175.8175.62.1110.8
205W83.1Confident82.8Confident105 Ų10576.7 Ų76.740%0.39839%0.386SS..EExtended strand (participates in β ladder)trans-103.1123.1170.7-69.183000109.5Y195 Y196 Q197 N241 D243Y195-W205 HydrophobicContact CD1-CB 4.27Å; Y196-W205 WeakPolarHBondContact O-CA 3.49Å; Q197-W205 HydrophobicContact CB-CE3 4.36Å; Q197-W205 HydrophobicContact CB-CH2 4.5Å; Q197-W205 HydrophobicContact CB-CZ3 4.36Å; W205-N241 HydrophobicContact CH2-CB 4.41Å; W205-D243 HydrophobicContact CH2-CB 4.24Å; W205-D243 HydrophobicContact CZ3-CB 4.01Å
206N86.8Confident82.7Confident28 Ų2883.9 Ų83.915%0.1541%0.413CS..EExtended strand (participates in β ladder)trans-90.3160.3169.9-67.9-54.6000109.9Y195 Y196 E198Y195-N206 CarbonylContact C-O 3.53Å; Y195-N206 WeakPolarHBondContact CA-O 3.39Å; Y196-N206 HydrophobicContact CD1-CB 3.92Å; Y196-N206 HydrophobicContact CD2-CB 4.03Å; Y196-N206 HydrophobicContact CE1-CB 3.37Å; Y196-N206 HydrophobicContact CE2-CB 3.51Å; Y196-N206 WeakPolarHBondContact CE2-ND2 3.33Å; Y196-N206 HydrophobicContact CG-CB 4.22Å; Y196-N206 PolarHBondContact N-O 2.77Å; Y196-N206 PolarHBondContact O-N 2.58Å; Y196-N206 WeakPolarHBondContact OH-CB 3.37Å; E198-N206 WeakPolarHBondContact CG-ND2 3.33Å; E198-N206 PolarHBondContact OE1-ND2 2.91Å
207L91.6Very high82.7Confident74 Ų7484.3 Ų84.339%0.38742%0.42SS..EExtended strand (participates in β ladder)trans-125.5129.9-171.7172.861.9000111.4K193 Y195 E209K193-L207 HydrophobicContact CB-CD1 3.53Å; K193-L207 HydrophobicContact CD-CD1 4.44Å; K193-L207 HydrophobicContact CD-CD2 4.42Å; K193-L207 HydrophobicContact CG-CD1 3.92Å; Y195-L207 HydrophobicContact CD1-CB 4.29Å; Y195-L207 HydrophobicContact CD1-CD1 4.17Å; Y195-L207 HydrophobicContact CD2-CD1 4.4Å; Y195-L207 HydrophobicContact CE1-CB 4.22Å; Y195-L207 HydrophobicContact CE1-CD1 3.94Å; Y195-L207 HydrophobicContact CE1-CD2 4.39Å; Y195-L207 HydrophobicContact CE1-CG 4.41Å; Y195-L207 HydrophobicContact CE2-CD1 4.16Å; Y195-L207 HydrophobicContact CG-CD1 4.4Å; L207-E209 HydrophobicContact CG-CB 4.42Å
208V93.8Very high83Confident35 Ų3583.2 Ų83.221%0.21242%0.42CS..EExtended strand (participates in β ladder)trans-108.5113.3161.8-178.90000108.4V194 Y196 L224V194-V208 HydrophobicContact CB-CB 4.42Å; V194-V208 PolarHBondContact N-O 2.97Å; V194-V208 PolarHBondContact O-N 2.94Å; Y196-V208 HydrophobicContact CD1-CG2 4.2Å; Y196-V208 HydrophobicContact CE1-CG2 3.86Å; V208-L224 HydrophobicContact CG2-CD2 3.95Å
209E95Very high83.6Confident101 Ų10185.1 Ų85.147%0.47243%0.426SS..EExtended strand (participates in β ladder)trans-105.5133.6178.2-175.2175.3158.400110.9T191 V192 K193 L207T191-E209 HydrophobicContact CG2-CG 3.67Å; T191-E209 WeakPolarHBondContact CG2-OE1 3.35Å; V192-E209 WeakPolarHBondContact O-CA 3.42Å; K193-E209 WeakPolarHBondContact CE-OE2 3.33Å; K193-E209 HydrophobicContact CG-CB 4.44Å; K193-E209 HydrophobicContact CG-CG 4.08Å; L207-E209 HydrophobicContact CG-CB 4.42Å
210K95.3Very high84.9Confident75 Ų7585.5 Ų85.533%0.32642%0.424SS..EExtended strand (participates in β ladder)trans-143.5132.7175.8-175.9172.9177.3172.10111V192 T221 F222V192-K210 PolarHBondContact N-O 3.1Å; V192-K210 PolarHBondContact O-N 2.54Å; K210-T221 WeakPolarHBondContact CD-O 3.45Å; K210-T221 PolarHBondContact NZ-O 3.26Å; K210-F222 HydrophobicContact CB-CD1 4.05Å; K210-F222 HydrophobicContact CB-CE1 3.71Å; K210-F222 HydrophobicContact CD-CD1 4.31Å; K210-F222 HydrophobicContact CD-CE1 4.22Å; K210-F222 HydrophobicContact CG-CE1 4.46Å
211R95.3Very high86.5Confident205 Ų20584.8 Ų84.877%0.77441%0.407SS*.EExtended strand (participates in β ladder)trans-78.1125.6167.9-67.6-178.8-179.8167-0109.4V190V190-R211 WeakPolarHBondContact O-CA 3.39Å
212V94.3Very high88.2Confident2 Ų280.1 Ų80.11%0.01238%0.383CS..EExtended strand (participates in β ladder)trans-111.7122.8-178.3-178.80000108.7K189 V190 V192 L214 H220 F222K189-V212 WeakPolarHBondContact CA-O 3.49Å; V190-V212 HydrophobicContact CG2-CB 3.99Å; V190-V212 PolarHBondContact N-O 2.76Å; V190-V212 PolarHBondContact O-N 2.91Å; V192-V212 HydrophobicContact CB-CG2 4.32Å; V192-V212 HydrophobicContact CG2-CB 4.39Å; V192-V212 HydrophobicContact CG2-CG2 3.71Å; V212-L214 HydrophobicContact CB-CD1 4.4Å; V212-L214 HydrophobicContact CG1-CD1 3.62Å; V212-L214 HydrophobicContact CG1-CG 3.91Å; V212-H220 HydrophobicContact CG1-CB 4.45Å; V212-H220 WeakPolarHBondContact CG1-NE2 3.37Å; V212-F222 HydrophobicContact CG2-CZ 4.15Å
213E92.9Very high90Very high91 Ų9180 Ų8043%0.42537%0.37SS..EExtended strand (participates in β ladder)trans-104.9120173.3-57.9-163.1163.600110K187 R188 K189K187-E213 IonicContact NZ-OE2 3.97Å; R188-E213 CarbonylContact O-C 3.5Å; R188-E213 WeakPolarHBondContact O-CA 3.27Å; K189-E213 HydrophobicContact CD-CG 4.24Å; K189-E213 WeakPolarHBondContact CD-OE1 3.23Å; K189-E213 WeakPolarHBondContact CE-OE1 3.47Å; K189-E213 HydrophobicContact CG-CG 4.08Å; K189-E213 IonicContact NZ-OE1 3.12Å; K189-E213 PolarHBondContact NZ-OE1 2.8Å
214L90.4Very high91.4Very high2 Ų275.2 Ų75.21%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-113.4127.7-178.2-62111.6000111.1F173 L175 R188 V190 V212 V254F173-L214 HydrophobicContact CB-CD2 3.48Å; F173-L214 VanDerWaalsContact CB-CD2 3.48Å; F173-L214 HydrophobicContact CG-CD2 4.34Å; L175-L214 HydrophobicContact CD1-CB 4.29Å; L175-L214 HydrophobicContact CD2-CB 3.87Å; L175-L214 HydrophobicContact CD2-CD2 4.38Å; L175-L214 HydrophobicContact CG-CB 4.35Å; R188-L214 PolarHBondContact N-O 2.9Å; R188-L214 PolarHBondContact O-N 2.82Å; V190-L214 HydrophobicContact CG2-CD1 3.97Å; V212-L214 HydrophobicContact CB-CD1 4.4Å; V212-L214 HydrophobicContact CG1-CD1 3.62Å; V212-L214 HydrophobicContact CG1-CG 3.91Å; L214-V254 HydrophobicContact CD1-CG1 3.94Å; L214-V254 HydrophobicContact CD1-CG2 4.21Å
215R89.3Confident92.2Very high191 Ų19168.2 Ų68.272%0.72131%0.311SS*.SBendtrans-101.4-25.6164.2-65.9-171.2-172.7-138.99.6112.6K187K187-R215 HydrophobicContact CG-CG 4.01Å
216R89.6Confident92.5Very high200 Ų20067.7 Ų67.776%0.75532%0.316SS*.SBendtrans-147.5163.5178.360.6178-177.3-91.6-0.1108.3
217S91Very high92.5Very high38 Ų3866.4 Ų66.427%0.26631%0.309SS..SBendtrans-57.8141169.4-530000110.4Y172 F173 L175Y172-S217 VanDerWaalsContact OH-CB 3.28Å; Y172-S217 WeakPolarHBondContact OH-CB 3.29Å; F173-S217 CarbonylContact O-C 3.49Å; F173-S217 WeakPolarHBondContact O-CA 3.45Å; F173-S217 WeakPolarHBondContact O-CB 3.19Å; L175-S217 PolarHBondContact N-OG 3.01Å
218G92.1Very high92.4Very high18 Ų1862.9 Ų62.919%0.18629%0.291CS..EExtended strand (participates in β ladder)trans-179.1171.1-173.800000114.8Y172 F173Y172-G218 VanDerWaalsContact CD2-C 3.5Å; F173-G218 PolarHBondContact N-O 2.83Å; F173-G218 PolarHBondContact O-N 3.13Å
219W92.6Very high92.2Very high84 Ų8465.3 Ų65.332%0.31830%0.296SS..EExtended strand (participates in β ladder)trans-84.1138.4177.5-68.8100.6000111.9W170 L171 Y172 F269W170-W219 HydrophobicContact CB-CE3 3.95Å; W170-W219 HydrophobicContact CB-CZ3 4.12Å; W170-W219 HydrophobicContact CE3-CB 3.79Å; W170-W219 HydrophobicContact CE3-CD2 4.36Å; W170-W219 HydrophobicContact CE3-CE3 4.34Å; W170-W219 HydrophobicContact CE3-CG 4.16Å; W170-W219 HydrophobicContact CZ3-CB 3.96Å; W170-W219 HydrophobicContact CZ3-CG 4.48Å; L171-W219 VanDerWaalsContact C-CE3 3.5Å; Y172-W219 AromaticContact CD2-CD1 3.84Å; Y172-W219 AromaticContact CD2-CD2 3.82Å; Y172-W219 HydrophobicContact CD2-CD2 3.82Å; Y172-W219 AromaticContact CD2-CE2 3.69Å; Y172-W219 HydrophobicContact CD2-CE3 4.48Å; Y172-W219 AromaticContact CD2-CG 3.92Å; Y172-W219 HydrophobicContact CD2-CG 3.92Å; Y172-W219 HydrophobicContact CD2-CZ2 4.26Å; Y172-W219 AromaticContact CD2-NE1 3.68Å; Y172-W219 HydrophobicContact CG-CD2 4.39Å; Y172-W219 HydrophobicContact CG-CZ2 4.47Å; W219-F269 HydrophobicContact CE3-CE1 4.23Å; W219-F269 HydrophobicContact CH2-CD1 4.11Å; W219-F269 AromaticContact CH2-CE1 3.78Å; W219-F269 HydrophobicContact CH2-CE1 3.78Å; W219-F269 HydrophobicContact CZ2-CE1 4.22Å; W219-F269 HydrophobicContact CZ3-CD1 4.15Å; W219-F269 AromaticContact CZ3-CE1 3.77Å; W219-F269 HydrophobicContact CZ3-CE1 3.77Å
220H94.9Very high91.7Very high42 Ų4263.3 Ų63.319%0.19429%0.289CS..EExtended strand (participates in β ladder)trans-131.2145.7171.5-70.9-87000110.8L171 F173 V212 F222L171-H220 PolarHBondContact N-O 2.84Å; L171-H220 PolarHBondContact O-N 2.87Å; F173-H220 HydrophobicContact CD2-CB 4.13Å; F173-H220 AromaticContact CD2-CD2 3.77Å; F173-H220 HydrophobicContact CE2-CB 3.91Å; V212-H220 HydrophobicContact CG1-CB 4.45Å; V212-H220 WeakPolarHBondContact CG1-NE2 3.37Å; H220-F222 HydrophobicContact CB-CE2 4.24Å
221T94.9Very high91.1Very high50 Ų5059.8 Ų59.831%0.30727%0.273SS..EExtended strand (participates in β ladder)trans-105.7145.2-173.153.90000112.9T168 L169 W170 K210T168-T221 HydrophobicContact CG2-CG2 3.73Å; L169-T221 CarbonylContact O-C 3.55Å; L169-T221 VanDerWaalsContact O-CA 3.29Å; L169-T221 WeakPolarHBondContact O-CA 3.39Å; W170-T221 HydrophobicContact CD2-CG2 3.77Å; W170-T221 HydrophobicContact CE3-CG2 4.1Å; W170-T221 HydrophobicContact CG-CG2 4.33Å; W170-T221 HydrophobicContact CH2-CG2 4.04Å; W170-T221 HydrophobicContact CZ2-CG2 3.72Å; W170-T221 HydrophobicContact CZ3-CG2 4.22Å; K210-T221 WeakPolarHBondContact CD-O 3.45Å; K210-T221 PolarHBondContact NZ-O 3.26Å
222F94.9Very high90.4Very high2 Ų251.2 Ų51.21%0.00924%0.242CC..EExtended strand (participates in β ladder)trans-132.4126.8178.1-60.1-101.2000109.1T168 L169 L171 F173 V192 V194 K210 V212 H220 L224T168-F222 CarbonylContact C-O 3.53Å; T168-F222 WeakPolarHBondContact CA-O 3.35Å; L169-F222 HydrophobicContact CB-CB 4.26Å; L169-F222 HydrophobicContact CD2-CB 4.5Å; L169-F222 PolarHBondContact N-O 2.73Å; L169-F222 PolarHBondContact O-N 3.24Å; L171-F222 HydrophobicContact CB-CD2 4.48Å; L171-F222 HydrophobicContact CB-CE2 4.05Å; L171-F222 HydrophobicContact CD1-CD2 3.95Å; L171-F222 HydrophobicContact CD1-CE2 3.71Å; L171-F222 HydrophobicContact CD1-CZ 4.27Å; L171-F222 HydrophobicContact CG-CD2 4.21Å; L171-F222 HydrophobicContact CG-CE2 4.13Å; F173-F222 HydrophobicContact CE2-CE2 4.08Å; F173-F222 HydrophobicContact CE2-CZ 4.27Å; F173-F222 HydrophobicContact CZ-CE2 4.23Å; F173-F222 HydrophobicContact CZ-CZ 4.07Å; V192-F222 HydrophobicContact CB-CE1 3.73Å; V192-F222 HydrophobicContact CB-CZ 3.76Å; V192-F222 HydrophobicContact CG1-CE1 3.62Å; V192-F222 HydrophobicContact CG1-CZ 3.57Å; V192-F222 HydrophobicContact CG2-CZ 4.25Å; V194-F222 HydrophobicContact CG2-CD1 3.78Å; V194-F222 HydrophobicContact CG2-CE1 4.12Å; V194-F222 HydrophobicContact CG2-CG 4.1Å; K210-F222 HydrophobicContact CB-CD1 4.05Å; K210-F222 HydrophobicContact CB-CE1 3.71Å; K210-F222 HydrophobicContact CD-CD1 4.31Å; K210-F222 HydrophobicContact CD-CE1 4.22Å; K210-F222 HydrophobicContact CG-CE1 4.46Å; V212-F222 HydrophobicContact CG2-CZ 4.15Å; H220-F222 HydrophobicContact CB-CE2 4.24Å; F222-L224 PolarHBondContact O-N 3.46Å
223S94.7Very high89.5Confident73 Ų7358 Ų5851%0.5127%0.273SS..EExtended strand (participates in β ladder)trans-75.1122.9178.8-178.10000109.6T225S223-T225 PolarHBondContact OG-OG1 2.86Å
224L92.5Very high88.4Confident4 Ų460.6 Ų60.62%0.02128%0.279CS..  trans-121.324.8174.6-66.5-176.2000111.2A167 L169 V194 Y196 V208 F222 D226 A227 V228 L242 L270A167-L224 PolarHBondContact O-N 2.8Å; L169-L224 HydrophobicContact CB-CD1 3.68Å; L169-L224 HydrophobicContact CB-CG 4.13Å; L169-L224 HydrophobicContact CD2-CD1 4.1Å; L169-L224 HydrophobicContact CG-CD1 4.39Å; V194-L224 HydrophobicContact CG1-CD2 4.32Å; Y196-L224 HydrophobicContact CD1-CD2 4.2Å; V208-L224 HydrophobicContact CG2-CD2 3.95Å; F222-L224 PolarHBondContact O-N 3.46Å; L224-D226 PolarHBondContact O-N 3.47Å; L224-A227 HydrophobicContact CB-CB 4.42Å; L224-A227 WeakPolarHBondContact O-CB 3.44Å; L224-A227 PolarHBondContact O-N 3.45Å; L224-V228 HydrophobicContact CB-CG2 4.33Å; L224-V228 WeakPolarHBondContact O-CG2 3.47Å; L224-V228 PolarHBondContact O-N 3.37Å; L224-L242 HydrophobicContact CD1-CD1 3.69Å; L224-L242 HydrophobicContact CD1-CD2 4.02Å; L224-L270 HydrophobicContact CB-CD1 4.49Å; L224-L270 HydrophobicContact CD1-CD1 4.18Å
225T91.3Very high86.8Confident12 Ų1266.7 Ų66.77%0.07432%0.322CS..Hα-helixtrans-59-44.5-169.9-50.10000112.6V164 T165 A167 S223 V228 R229V164-T225 HydrophobicContact CG1-CG2 4.33Å; T165-T225 WeakPolarHBondContact O-CG2 3.49Å; A167-T225 PolarHBondContact N-OG1 3.42Å; A167-T225 PolarHBondContact O-N 3.25Å; A167-T225 PolarHBondContact O-OG1 3.48Å; S223-T225 PolarHBondContact OG-OG1 2.86Å; T225-V228 PolarHBondContact O-N 2.95Å; T225-R229 WeakPolarHBondContact O-CG 3.41Å; T225-R229 PolarHBondContact O-N 2.9Å
226D89.1Confident85.7Confident94 Ų9460.1 Ų60.150%0.50331%0.313SS..Hα-helixtrans-69.5-39.3-179.3-56-38.9000112L224 V228 R229 L230L224-D226 PolarHBondContact O-N 3.47Å; D226-V228 PolarHBondContact O-N 2.87Å; D226-R229 PolarHBondContact O-N 3.36Å; D226-R229 IonicContact OD1-CZ 2.7Å; D226-R229 IonicContact OD1-NH1 3.42Å; D226-R229 PolarHBondContact OD1-NH1 3.07Å; D226-R229 IonicContact OD1-NH2 3.99Å; D226-L230 WeakPolarHBondContact O-CG 3.46Å; D226-L230 PolarHBondContact O-N 3.42Å
227A88.1Confident84.7Confident2 Ų256.3 Ų56.32%0.01731%0.308CS..Hα-helixtrans-58.2-49.2175.500000111.1Y196 L224 L230 V231Y196-A227 HydrophobicContact CD1-CB 4.41Å; Y196-A227 HydrophobicContact CD2-CB 3.31Å; Y196-A227 HydrophobicContact CE1-CB 4.48Å; Y196-A227 HydrophobicContact CE2-CB 3.4Å; Y196-A227 VanDerWaalsContact CE2-CB 3.4Å; Y196-A227 HydrophobicContact CG-CB 3.85Å; L224-A227 HydrophobicContact CB-CB 4.42Å; L224-A227 WeakPolarHBondContact O-CB 3.44Å; L224-A227 PolarHBondContact O-N 3.45Å; A227-L230 PolarHBondContact O-N 3.27Å; A227-V231 PolarHBondContact O-N 3.34Å
228V88.8Confident84.1Confident0 Ų058.2 Ų58.20%031%0.309CS..Hα-helixtrans-73-33.1-176.9178.50000111.9I154 V164 A167 L224 T225 D226 L230 V231 F232 L270 V272I154-V228 HydrophobicContact CD1-CG1 3.74Å; I154-V228 HydrophobicContact CD1-CG2 4.17Å; V164-V228 HydrophobicContact CG1-CG1 4.18Å; V164-V228 HydrophobicContact CG2-CG1 4.11Å; A167-V228 HydrophobicContact CB-CB 3.7Å; A167-V228 HydrophobicContact CB-CG1 4.08Å; A167-V228 HydrophobicContact CB-CG2 3.65Å; L224-V228 HydrophobicContact CB-CG2 4.33Å; L224-V228 WeakPolarHBondContact O-CG2 3.47Å; L224-V228 PolarHBondContact O-N 3.37Å; T225-V228 PolarHBondContact O-N 2.95Å; D226-V228 PolarHBondContact O-N 2.87Å; V228-L230 VanDerWaalsContact C-N 3.33Å; V228-L230 PolarHBondContact O-N 3.35Å; V228-V231 PolarHBondContact O-N 3.2Å; V228-F232 HydrophobicContact CG1-CD2 3.94Å; V228-F232 HydrophobicContact CG1-CE2 3.84Å; V228-F232 WeakPolarHBondContact O-CD2 3.41Å; V228-F232 PolarHBondContact O-N 3.49Å; V228-F232 VanDerWaalsContact O-N 3.11Å; V228-L270 HydrophobicContact CG2-CD1 4.44Å; V228-L270 HydrophobicContact CG2-CD2 3.89Å; V228-V272 HydrophobicContact CG1-CG1 3.84Å; V228-V272 HydrophobicContact CG1-CG2 3.87Å
229R88.7Confident83.8Confident85 Ų8561 Ų6132%0.32131%0.314SS..Hα-helixtrans-56.2-47.4171.5-85.8-173.8-138.3126.66.5111.6V164 T225 D226 V231 F232 E233V164-R229 HydrophobicContact CB-CG 3.73Å; V164-R229 HydrophobicContact CG1-CG 4.22Å; V164-R229 PolarHBondContact O-NE 3.38Å; T225-R229 WeakPolarHBondContact O-CG 3.41Å; T225-R229 PolarHBondContact O-N 2.9Å; D226-R229 PolarHBondContact O-N 3.36Å; D226-R229 IonicContact OD1-CZ 2.7Å; D226-R229 IonicContact OD1-NH1 3.42Å; D226-R229 PolarHBondContact OD1-NH1 3.07Å; D226-R229 IonicContact OD1-NH2 3.99Å; R229-V231 VanDerWaalsContact C-N 3.27Å; R229-V231 PolarHBondContact O-N 3.11Å; R229-F232 PolarHBondContact O-N 3.26Å; R229-E233 WeakPolarHBondContact O-CG 3.5Å; R229-E233 PolarHBondContact O-N 3.22Å
230L84.9Confident83.6Confident60 Ų6057 Ų5731%0.31430%0.299SS..Hα-helixtrans-62.2-34.9179.4-68.7169.7000112.6E198 P199 D226 A227 V228 F232 R234E198-L230 HydrophobicContact CG-CD1 3.84Å; P199-L230 HydrophobicContact CG-CB 4.17Å; D226-L230 WeakPolarHBondContact O-CG 3.46Å; D226-L230 PolarHBondContact O-N 3.42Å; A227-L230 PolarHBondContact O-N 3.27Å; V228-L230 VanDerWaalsContact C-N 3.33Å; V228-L230 PolarHBondContact O-N 3.35Å; L230-F232 VanDerWaalsContact C-N 3.32Å; L230-R234 PolarHBondContact O-N 2.92Å
231V83Confident83.3Confident1 Ų156.7 Ų56.71%0.00630%0.299CS..Hα-helixtrans-66.7-33.5174.31770000111.8P199 A227 V228 R229 R238 Q240P199-V231 HydrophobicContact CG-CG2 4.16Å; A227-V231 PolarHBondContact O-N 3.34Å; V228-V231 PolarHBondContact O-N 3.2Å; R229-V231 VanDerWaalsContact C-N 3.27Å; R229-V231 PolarHBondContact O-N 3.11Å; V231-R238 HydrophobicContact CG1-CB 4.13Å; V231-Q240 HydrophobicContact CG2-CB 4.42Å
232F80Confident83.2Confident25 Ų2554.4 Ų54.411%0.1129%0.285CS..Hα-helixtrans-80.9-29.2178.4-87.6-116.1000113.8I134 I154 L162 V164 V228 R229 L230 R234 V272I134-F232 HydrophobicContact CD1-CE1 4.35Å; I134-F232 HydrophobicContact CD1-CZ 4.06Å; I154-F232 HydrophobicContact CB-CE2 4.08Å; I154-F232 HydrophobicContact CD1-CE2 4.21Å; I154-F232 HydrophobicContact CG2-CE2 3.54Å; I154-F232 HydrophobicContact CG2-CZ 3.62Å; L162-F232 HydrophobicContact CB-CD1 3.99Å; L162-F232 HydrophobicContact CB-CE1 3.95Å; L162-F232 HydrophobicContact CD1-CE1 4.09Å; V164-F232 HydrophobicContact CG2-CB 3.96Å; V164-F232 HydrophobicContact CG2-CD1 3.76Å; V164-F232 HydrophobicContact CG2-CD2 3.68Å; V164-F232 HydrophobicContact CG2-CE1 4.14Å; V164-F232 HydrophobicContact CG2-CE2 4.06Å; V164-F232 HydrophobicContact CG2-CG 3.51Å; V164-F232 HydrophobicContact CG2-CZ 4.28Å; V228-F232 HydrophobicContact CG1-CD2 3.94Å; V228-F232 HydrophobicContact CG1-CE2 3.84Å; V228-F232 WeakPolarHBondContact O-CD2 3.41Å; V228-F232 PolarHBondContact O-N 3.49Å; V228-F232 VanDerWaalsContact O-N 3.11Å; R229-F232 PolarHBondContact O-N 3.26Å; L230-F232 VanDerWaalsContact C-N 3.32Å; F232-R234 VanDerWaalsContact C-N 3.34Å; F232-V272 HydrophobicContact CE2-CG1 4.45Å; F232-V272 HydrophobicContact CZ-CG1 4.36Å
233E76.4Confident83Confident144 Ų14455 Ų5567%0.67329%0.288SS*.Hα-helixtrans-73.6-24.7179.5-74.6173.1-175.300113.1R229R229-E233 WeakPolarHBondContact O-CG 3.5Å; R229-E233 PolarHBondContact O-N 3.22Å
234R69.9Low82.9Confident146 Ų14651.8 Ų51.855%0.55127%0.266SS*.SBendtrans-94.1123.6-177.4-159.3167.2-172.8144.85.5111.3P199 L230 F232 G236P199-R234 PolarHBondContact O-NH1 3.44Å; L230-R234 PolarHBondContact O-N 2.92Å; F232-R234 VanDerWaalsContact C-N 3.34Å; R234-G236 PolarHBondContact O-N 3.42Å
235S56.8Low83Confident130 Ų13058 Ų5891%0.90929%0.289SS*.SBendtrans-67.298.8172.1-50.60000110.1
236G65.7Low83.1Confident52 Ų5259 Ų5954%0.53630%0.296SS..SBendtrans166.6-148.3179.400000114.8R234 R238R234-G236 PolarHBondContact O-N 3.42Å; G236-R238 PolarHBondContact O-N 3.23Å
237D67.6Low83.3Confident121 Ų12159.1 Ų59.165%0.64729%0.293SS*.  trans-61.5119.1180-173.414.4000111.1R239D237-R239 PolarHBondContact O-N 3.3Å; D237-R239 WeakPolarHBondContact OD1-CB 2.92Å; D237-R239 PolarHBondContact OD1-N 3.05Å
238R78.6Confident83.4Confident78 Ų7860.9 Ų60.929%0.29431%0.311SS..  trans-93.633.9-176.6-60.9-175-177.1-149.61.7112.1I154 N156 V231 G236I154-R238 PolarHBondContact N-O 3.45Å; I154-R238 VanDerWaalsContact N-O 3.13Å; I154-R238 WeakPolarHBondContact O-CD 3.42Å; N156-R238 VanDerWaalsContact CG-NH1 3.3Å; N156-R238 PolarHBondContact ND2-NH1 2.9Å; N156-R238 PolarHBondContact ND2-NH2 2.84Å; V231-R238 HydrophobicContact CG1-CB 4.13Å; G236-R238 PolarHBondContact O-N 3.23Å
239R86.9Confident83.4Confident75 Ų7561.3 Ų61.328%0.28331%0.314SS..EExtended strand (participates in β ladder)trans-87.8118.6178.4-178.7176173.4166.43.5110D141 F151 F152 L153 D237 N241D141-R239 IonicContact OD2-CZ 3.96Å; D141-R239 IonicContact OD2-NH1 3.98Å; D141-R239 IonicContact OD2-NH2 3.64Å; D141-R239 PolarHBondContact OD2-NH2 3.16Å; F151-R239 HydrophobicContact CB-CG 4.14Å; F151-R239 HydrophobicContact CD2-CG 4.1Å; F151-R239 HydrophobicContact CG-CG 4.37Å; F152-R239 WeakPolarHBondContact O-CA 3.45Å; L153-R239 HydrophobicContact CD2-CB 4.08Å; L153-R239 HydrophobicContact CD2-CG 4.4Å; D237-R239 PolarHBondContact O-N 3.3Å; D237-R239 WeakPolarHBondContact OD1-CB 2.92Å; D237-R239 PolarHBondContact OD1-N 3.05Å; R239-N241 PolarHBondContact NE-OD1 2.92Å
240Q87.9Confident83.4Confident1 Ų166.2 Ų66.21%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-102.4109.7170.7-178.759.470.800109.9F151 F152 I154 Q197 V231 L242F151-Q240 CarbonylContact C-O 3.59Å; F151-Q240 VanDerWaalsContact CA-O 3.25Å; F151-Q240 WeakPolarHBondContact CA-O 3.49Å; F152-Q240 PolarHBondContact N-O 3.34Å; F152-Q240 PolarHBondContact O-N 3.23Å; I154-Q240 HydrophobicContact CD1-CB 4.45Å; Q197-Q240 PolarHBondContact O-NE2 3.46Å; V231-Q240 HydrophobicContact CG2-CB 4.42Å; Q240-L242 HydrophobicContact CG-CD2 4.08Å; Q240-L242 HydrophobicContact CG-CG 4.48Å
241N89.3Confident83.6Confident36 Ų3667.3 Ų67.319%0.19336%0.359CS..EExtended strand (participates in β ladder)trans-85.2136.5174.8-63.2-38.5000110.9F151 Q197 W205 R239F151-N241 WeakPolarHBondContact CB-OD1 3.43Å; Q197-N241 HydrophobicContact CB-CB 4.29Å; Q197-N241 PolarHBondContact N-O 2.92Å; Q197-N241 PolarHBondContact OE1-ND2 3.25Å; W205-N241 HydrophobicContact CH2-CB 4.41Å; R239-N241 PolarHBondContact NE-OD1 2.92Å
242L91.2Very high83.8Confident1 Ų169.3 Ų69.31%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-132.1147.1177.5-57.5-173.6000111.5S149 L150 F152 L169 V194 Y195 L224 Q240S149-L242 WeakPolarHBondContact CA-O 3.45Å; L150-L242 PolarHBondContact N-O 3.15Å; L150-L242 PolarHBondContact O-N 2.89Å; L150-L242 VanDerWaalsContact O-O 3.07Å; F152-L242 HydrophobicContact CD2-CD1 4Å; F152-L242 HydrophobicContact CD2-CG 4.34Å; F152-L242 HydrophobicContact CE2-CD1 3.5Å; F152-L242 VanDerWaalsContact CE2-CD1 3.5Å; F152-L242 HydrophobicContact CE2-CG 4.2Å; F152-L242 HydrophobicContact CZ-CD1 4.49Å; L169-L242 HydrophobicContact CD1-CD1 4.27Å; L169-L242 HydrophobicContact CD2-CD1 3.85Å; V194-L242 HydrophobicContact CG1-CD1 4.29Å; V194-L242 HydrophobicContact CG1-CD2 4.37Å; Y195-L242 CarbonylContact O-C 3.58Å; Y195-L242 WeakPolarHBondContact O-CA 3.24Å; L224-L242 HydrophobicContact CD1-CD1 3.69Å; L224-L242 HydrophobicContact CD1-CD2 4.02Å; Q240-L242 HydrophobicContact CG-CD2 4.08Å; Q240-L242 HydrophobicContact CG-CG 4.48Å
243D91.4Very high84.2Confident15 Ų1569 Ų698%0.0837%0.372CS..EExtended strand (participates in β ladder)trans-124.7118.4166.7-176.759.5000109S148 Y195 W205 R245S148-D243 VanDerWaalsContact CB-OD1 3.23Å; S148-D243 WeakPolarHBondContact CB-OD1 3.45Å; S148-D243 PolarHBondContact OG-OD1 2.88Å; Y195-D243 PolarHBondContact N-O 3.05Å; Y195-D243 PolarHBondContact O-N 3.39Å; W205-D243 HydrophobicContact CH2-CB 4.24Å; W205-D243 HydrophobicContact CZ3-CB 4.01Å; D243-R245 IonicContact OD2-CZ 2.75Å; D243-R245 IonicContact OD2-NE 2.72Å; D243-R245 PolarHBondContact OD2-NE 3.43Å; D243-R245 IonicContact OD2-NH2 3.37Å; D243-R245 PolarHBondContact OD2-NH2 3.27Å
244V93.1Very high85Confident6 Ų662.3 Ų62.34%0.03634%0.341CS..EExtended strand (participates in β ladder)trans-102.4118.3-175.5-177.70000110.2S148 L171 V192 L258S148-V244 VanDerWaalsContact CB-O 3.27Å; S148-V244 WeakPolarHBondContact CB-O 3.42Å; S148-V244 PolarHBondContact O-N 2.82Å; L171-V244 HydrophobicContact CD1-CG1 3.82Å; L171-V244 HydrophobicContact CD1-CG2 4.23Å; V192-V244 HydrophobicContact CG1-CG1 4.21Å; V244-L258 HydrophobicContact CB-CD1 4.22Å; V244-L258 HydrophobicContact CB-CD2 3.99Å; V244-L258 HydrophobicContact CG1-CD2 4.05Å; V244-L258 HydrophobicContact CG2-CD2 4.2Å
245R93.8Very high86Confident135 Ų13558.3 Ų58.351%0.50933%0.333SS..EExtended strand (participates in β ladder)trans-116.4139176.2-56.7-168.4-171.3176.30110.7K193 Y195 D243K193-R245 HydrophobicContact CB-CB 4.37Å; K193-R245 PolarHBondContact N-O 2.99Å; K193-R245 PolarHBondContact O-N 3.38Å; Y195-R245 HydrophobicContact CD2-CG 4.24Å; Y195-R245 HydrophobicContact CE2-CB 4.36Å; Y195-R245 HydrophobicContact CE2-CG 4.03Å; D243-R245 IonicContact OD2-CZ 2.75Å; D243-R245 IonicContact OD2-NE 2.72Å; D243-R245 PolarHBondContact OD2-NE 3.43Å; D243-R245 IonicContact OD2-NH2 3.37Å; D243-R245 PolarHBondContact OD2-NH2 3.27Å
246C93.4Very high87.6Confident32 Ų3253.6 Ų53.622%0.21630%0.299CS..EExtended strand (participates in β ladder)trans-122.8112.9175.8-176.10000110.4C249 P256C246-C249 HydrophobicContact CB-CB 3.66Å; C246-C249 WeakPolarHBondContact CB-SG 3.34Å; C246-C249 WeakPolarHBondContact SG-CB 3.13Å; C246-C249 CovalentContact SG-SG 2.02Å; C246-C249 PolarHBondContact SG-SG 3.48Å; C246-P256 HydrophobicContact CB-CG 4.41Å
247E94.2Very high88.6Confident96 Ų9651.7 Ų51.745%0.44928%0.277SS..EExtended strand (participates in β ladder)trans-86.2129.9175.5-66.1177.3173.700109.7T191 K193 C249T191-E247 PolarHBondContact N-O 2.85Å; T191-E247 VanDerWaalsContact N-O 3.09Å; T191-E247 PolarHBondContact O-N 2.97Å; K193-E247 WeakPolarHBondContact CE-OE1 3.36Å; K193-E247 VanDerWaalsContact CE-OE2 3.31Å; K193-E247 WeakPolarHBondContact CE-OE2 3.33Å; K193-E247 IonicContact NZ-OE1 2.65Å; K193-E247 PolarHBondContact NZ-OE1 2.73Å; K193-E247 IonicContact NZ-OE2 3.75Å; K193-E247 PolarHBondContact NZ-OE2 3.38Å; E247-C249 VanDerWaalsContact C-N 3.27Å; E247-C249 PolarHBondContact O-N 3.04Å
248G88.9Confident89.4Confident39 Ų3946.8 Ų46.840%0.40225%0.25SS..THydrogen-bonded Turntrans81.3-2.3-176.700000114.9E250 A251 E252G248-E250 PolarHBondContact O-N 2.87Å; G248-A251 PolarHBondContact O-N 2.79Å; G248-E252 WeakPolarHBondContact O-CB 3.43Å; G248-E252 WeakPolarHBondContact O-CG 3.45Å; G248-E252 PolarHBondContact O-N 2.72Å
249C90.6Very high89Confident9 Ų947 Ų476%0.06126%0.255CS..THydrogen-bonded Turntrans-57.6-45.1178.4-1000000112.8C246 E247 E252 G253 V254C246-C249 HydrophobicContact CB-CB 3.66Å; C246-C249 WeakPolarHBondContact CB-SG 3.34Å; C246-C249 WeakPolarHBondContact SG-CB 3.13Å; C246-C249 CovalentContact SG-SG 2.02Å; C246-C249 PolarHBondContact SG-SG 3.48Å; E247-C249 VanDerWaalsContact C-N 3.27Å; E247-C249 PolarHBondContact O-N 3.04Å; C249-E252 CarbonylContact O-C 3.51Å; C249-E252 PolarHBondContact O-N 2.75Å; C249-G253 CarbonylContact O-C 3.45Å; C249-G253 WeakPolarHBondContact O-CA 3.34Å; C249-G253 PolarHBondContact O-N 2.8Å; C249-V254 CarbonylContact C-O 3.56Å; C249-V254 HydrophobicContact CB-CB 4.4Å; C249-V254 WeakPolarHBondContact CB-O 2.85Å; C249-V254 PolarHBondContact O-N 2.8Å; C249-V254 PolarHBondContact SG-O 3.26Å; C249-V254 VanDerWaalsContact SG-O 3.35Å
250E88Confident88Confident189 Ų18946.9 Ų46.988%0.88326%0.261SS*.THydrogen-bonded Turntrans-64.8-48.1179.1-173.1173.9-173.200112.1G248 E252 G253G248-E250 PolarHBondContact O-N 2.87Å; E250-E252 VanDerWaalsContact C-N 3.29Å; E250-E252 PolarHBondContact O-N 2.92Å; E250-G253 PolarHBondContact O-N 3.47Å; E250-G253 VanDerWaalsContact O-N 3.09Å
251A87.9Confident86.8Confident83 Ų8352.3 Ų52.369%0.68630%0.296SS*.THydrogen-bonded Turntrans-62.9-34.3179.200000112.9G248G248-A251 PolarHBondContact O-N 2.79Å
252E88.1Confident85.6Confident43 Ų4359.7 Ų59.720%0.20133%0.326CS..THydrogen-bonded Turntrans-93.76.5177.2-62.4-61.3153.500112.8R185 R188 V190 G248 C249 E250 V254R185-E252 IonicContact CZ-OE1 3.79Å; R185-E252 IonicContact CZ-OE2 3.91Å; R185-E252 IonicContact NH1-OE1 3.92Å; R185-E252 PolarHBondContact NH1-OE1 2.76Å; R185-E252 IonicContact NH1-OE2 2.67Å; R185-E252 PolarHBondContact NH1-OE2 2.52Å; R188-E252 HydrophobicContact CB-CB 4.32Å; R188-E252 WeakPolarHBondContact CD-O 2.93Å; R188-E252 PolarHBondContact NE-O 2.8Å; R188-E252 PolarHBondContact NH1-O 3.13Å; V190-E252 HydrophobicContact CG1-CB 3.9Å; V190-E252 HydrophobicContact CG1-CG 4.04Å; G248-E252 WeakPolarHBondContact O-CB 3.43Å; G248-E252 WeakPolarHBondContact O-CG 3.45Å; G248-E252 PolarHBondContact O-N 2.72Å; C249-E252 CarbonylContact O-C 3.51Å; C249-E252 PolarHBondContact O-N 2.75Å; E250-E252 VanDerWaalsContact C-N 3.29Å; E250-E252 PolarHBondContact O-N 2.92Å; E252-V254 HydrophobicContact CB-CG2 3.91Å; E252-V254 WeakPolarHBondContact O-CG2 3.39Å; E252-V254 PolarHBondContact O-N 2.72Å
253G89.4Confident84.5Confident19 Ų1961.8 Ų61.820%0.19634%0.338CS..THydrogen-bonded Turntrans54.138.3-178.300000114L176 R188 C249 E250L176-G253 WeakPolarHBondContact CB-O 3.24Å; L176-G253 PolarHBondContact N-O 3.23Å; R188-G253 PolarHBondContact NH1-O 3.27Å; C249-G253 CarbonylContact O-C 3.45Å; C249-G253 WeakPolarHBondContact O-CA 3.34Å; C249-G253 PolarHBondContact O-N 2.8Å; E250-G253 PolarHBondContact O-N 3.47Å; E250-G253 VanDerWaalsContact O-N 3.09Å
254V91.4Very high83.5Confident3 Ų368.6 Ų68.62%0.01837%0.369CS..EExtended strand (participates in β ladder)trans-106.2134.9176.7-175.30000108.5F173 L175 R188 V190 L214 C249 E252F173-V254 HydrophobicContact CB-CG1 4.16Å; F173-V254 HydrophobicContact CD1-CG1 4.02Å; L175-V254 HydrophobicContact CD2-CG2 3.72Å; R188-V254 HydrophobicContact CB-CG2 4.31Å; V190-V254 HydrophobicContact CG1-CB 4.14Å; V190-V254 HydrophobicContact CG1-CG2 3.81Å; V190-V254 HydrophobicContact CG2-CG1 4.48Å; L214-V254 HydrophobicContact CD1-CG1 3.94Å; L214-V254 HydrophobicContact CD1-CG2 4.21Å; C249-V254 CarbonylContact C-O 3.56Å; C249-V254 HydrophobicContact CB-CB 4.4Å; C249-V254 WeakPolarHBondContact CB-O 2.85Å; C249-V254 PolarHBondContact O-N 2.8Å; C249-V254 PolarHBondContact SG-O 3.26Å; C249-V254 VanDerWaalsContact SG-O 3.35Å; E252-V254 HydrophobicContact CB-CG2 3.91Å; E252-V254 WeakPolarHBondContact O-CG2 3.39Å; E252-V254 PolarHBondContact O-N 2.72Å
255V91.1Very high82.8Confident62 Ų6272.5 Ų72.538%0.37640%0.402SS..EExtended strand (participates in β ladder)trans-125120177.5-179.50000109.8K174 L176K174-V255 PolarHBondContact N-O 2.99Å; K174-V255 PolarHBondContact O-N 3.2Å; L176-V255 HydrophobicContact CD1-CG2 3.67Å; L176-V255 HydrophobicContact CD2-CG2 4.16Å; L176-V255 HydrophobicContact CG-CG2 3.88Å
256P90.9Very high82.4Confident30 Ų3068.3 Ų68.320%0.19539%0.388CS..EExtended strand (participates in β ladder)trans-70.7128.716929.2-31.4000109.6F173 C246 L258F173-P256 HydrophobicContact CD1-CB 4.06Å; F173-P256 HydrophobicContact CE1-CB 3.84Å; C246-P256 HydrophobicContact CB-CG 4.41Å; P256-L258 HydrophobicContact CB-CD2 4.2Å; P256-L258 HydrophobicContact CB-CG 4.35Å; P256-L258 PolarHBondContact O-N 3.13Å
257V87.3Confident82.1Confident12 Ų1271.2 Ų71.27%0.07340%0.395CS..EExtended strand (participates in β ladder)trans-85.1105.4173.4-177.10000107.9Y172 K174 D263 H266 P268Y172-V257 HydrophobicContact CD1-CB 4.28Å; Y172-V257 HydrophobicContact CD1-CG2 3.78Å; Y172-V257 PolarHBondContact O-N 3.13Å; K174-V257 HydrophobicContact CB-CG2 4.32Å; V257-D263 HydrophobicContact CG1-CB 4.38Å; V257-H266 HydrophobicContact CB-CB 4.22Å; V257-H266 HydrophobicContact CG1-CB 3.83Å; V257-H266 HydrophobicContact CG2-CB 4.49Å; V257-P268 WeakPolarHBondContact O-CG 3.32Å
258L83.1Confident82Confident18 Ų1866.7 Ų66.79%0.09437%0.373CS..  trans-99.9-68.6-178-59.9-177.5000110.5L150 L171 V244 P256 P268L150-L258 HydrophobicContact CD1-CB 4.13Å; L150-L258 HydrophobicContact CD1-CD2 4Å; L150-L258 HydrophobicContact CD2-CB 4.38Å; L171-L258 HydrophobicContact CD2-CD2 4.14Å; V244-L258 HydrophobicContact CB-CD1 4.22Å; V244-L258 HydrophobicContact CB-CD2 3.99Å; V244-L258 HydrophobicContact CG1-CD2 4.05Å; V244-L258 HydrophobicContact CG2-CD2 4.2Å; P256-L258 HydrophobicContact CB-CD2 4.2Å; P256-L258 HydrophobicContact CB-CG 4.35Å; P256-L258 PolarHBondContact O-N 3.13Å; L258-P268 WeakPolarHBondContact O-CD 3.41Å; L258-P268 WeakPolarHBondContact O-CG 3.5Å
259M70.9Confident82.1Confident82 Ų8266.7 Ų66.740%0.40436%0.362SS..  trans-147.4112.6169.4-76.8-171.548.200109.5K140 L150K140-M259 HydrophobicContact CB-CE 3.68Å; K140-M259 HydrophobicContact CB-SD 3.53Å; K140-M259 VanDerWaalsContact CB-SD 3.53Å; K140-M259 PolarHBondContact N-SD 3.34Å; L150-M259 HydrophobicContact CD2-CB 4.44Å; L150-M259 HydrophobicContact CD2-CG 3.64Å; L150-M259 HydrophobicContact CD2-SD 3.72Å
260N67.1Low82.1Confident73 Ų7366.2 Ų66.239%0.3936%0.359SS..  trans-131.7120.4173.9-178.17.1000107.6K262 D263N260-K262 PolarHBondContact O-N 2.95Å; N260-K262 PolarHBondContact OD1-N 2.82Å; N260-D263 HydrophobicContact CB-CB 4.24Å; N260-D263 PolarHBondContact ND2-OD2 3.44Å; N260-D263 PolarHBondContact O-N 2.87Å
261P61.5Low82.1Confident115 Ų11558 Ų5875%0.74732%0.322SS*.THydrogen-bonded Turntrans-57.5-20-179.1-22.430.9000113.7
262K64.7Low82.2Confident191 Ų19154.1 Ų54.183%0.8329%0.289SS*.THydrogen-bonded Turntrans-89.3-12.4179.4-61.3-174.7178.3-176.10114.2N260N260-K262 PolarHBondContact O-N 2.95Å; N260-K262 PolarHBondContact OD1-N 2.82Å
263D67.3Low82.2Confident46 Ų4657.6 Ų57.625%0.24630%0.301CS..  trans-12552.8-175.3-87.2-49000110.7V257 N260 A265 H266V257-D263 HydrophobicContact CG1-CB 4.38Å; N260-D263 HydrophobicContact CB-CB 4.24Å; N260-D263 PolarHBondContact ND2-OD2 3.44Å; N260-D263 PolarHBondContact O-N 2.87Å; D263-A265 VanDerWaalsContact C-N 3.26Å; D263-A265 PolarHBondContact O-N 3.33Å; D263-H266 PolarHBondContact O-N 3.26Å; D263-H266 IonicContact OD1-ND1 2.62Å
264E71.8Confident82Confident157 Ų15756.7 Ų56.773%0.73429%0.291SS*.G310 helixtrans-60-32.9-178.2-65.6-172.8170.200113.4H266 R267E264-H266 PolarHBondContact O-N 3.14Å; E264-H266 VanDerWaalsContact O-N 3.14Å; E264-R267 WeakPolarHBondContact O-CB 3.43Å; E264-R267 PolarHBondContact O-N 2.73Å
265A78.2Confident81.6Confident88 Ų8859.9 Ų59.973%0.72730%0.303SS*.G310 helixtrans-64.1-18.6-179.500000114.1D263D263-A265 VanDerWaalsContact C-N 3.26Å; D263-A265 PolarHBondContact O-N 3.33Å
266H85.8Confident80.8Confident48 Ų4859.7 Ų59.722%0.22230%0.298CS..G310 helixtrans-111.317.3-177.8-59.5107.4000112.4Y172 V257 D263 E264Y172-H266 HydrophobicContact CD1-CB 3.79Å; Y172-H266 AromaticContact CD1-CD2 3.42Å; Y172-H266 VanDerWaalsContact CD1-CD2 3.42Å; Y172-H266 WeakPolarHBondContact CD1-CD2 3.24Å; Y172-H266 AromaticContact CD1-CG 3.63Å; Y172-H266 AromaticContact CD2-CD2 3.53Å; Y172-H266 HydrophobicContact CE1-CB 4.42Å; Y172-H266 AromaticContact CE1-CD2 3.35Å; Y172-H266 WeakPolarHBondContact CE1-CD2 3.34Å; Y172-H266 AromaticContact CE1-CG 3.78Å; Y172-H266 AromaticContact CE1-NE2 3.6Å; Y172-H266 AromaticContact CE2-CD2 3.49Å; Y172-H266 VanDerWaalsContact CE2-CD2 3.49Å; Y172-H266 WeakPolarHBondContact CE2-CD2 3.32Å; Y172-H266 AromaticContact CE2-NE2 3.77Å; Y172-H266 HydrophobicContact CG-CB 3.96Å; Y172-H266 AromaticContact CG-CD2 3.48Å; Y172-H266 VanDerWaalsContact CG-CD2 3.48Å; Y172-H266 AromaticContact CG-CG 3.95Å; Y172-H266 AromaticContact CZ-CD2 3.37Å; Y172-H266 AromaticContact CZ-NE2 3.37Å; V257-H266 HydrophobicContact CB-CB 4.22Å; V257-H266 HydrophobicContact CG1-CB 3.83Å; V257-H266 HydrophobicContact CG2-CB 4.49Å; D263-H266 PolarHBondContact O-N 3.26Å; D263-H266 IonicContact OD1-ND1 2.62Å; E264-H266 PolarHBondContact O-N 3.14Å; E264-H266 VanDerWaalsContact O-N 3.14Å
267R86Confident79.5Confident93 Ų9359.7 Ų59.735%0.35130%0.301SS..  trans-60.2128.5177.1-173.9177.2-176.3-173.9-1.3110.4A138 E264A138-R267 PolarHBondContact O-NE 2.9Å; A138-R267 PolarHBondContact O-NH2 2.86Å; E264-R267 WeakPolarHBondContact O-CB 3.43Å; E264-R267 PolarHBondContact O-N 2.73Å
268P91.3Very high78.1Confident0 Ų066 Ų660%033%0.334CS..  trans-56.5144.4174.6-28.437000112.9A138 L150 W170 L171 V257 L258A138-P268 HydrophobicContact CB-CB 3.86Å; A138-P268 HydrophobicContact CB-CG 4.42Å; A138-P268 PolarHBondContact N-O 2.91Å; L150-P268 HydrophobicContact CD1-CG 4.21Å; W170-P268 WeakPolarHBondContact O-CA 3.34Å; L171-P268 HydrophobicContact CD2-CB 3.81Å; L171-P268 HydrophobicContact CD2-CG 3.85Å; V257-P268 WeakPolarHBondContact O-CG 3.32Å; L258-P268 WeakPolarHBondContact O-CD 3.41Å; L258-P268 WeakPolarHBondContact O-CG 3.5Å
269F91.1Very high76.6Confident39 Ų3967.3 Ų67.317%0.17135%0.352CS..EExtended strand (participates in β ladder)trans-141.6151.7176.161.8-86.4000111I135 S136 F137 W170 W219 V271I135-F269 HydrophobicContact CG2-CB 4.15Å; I135-F269 HydrophobicContact CG2-CD2 4.03Å; I135-F269 HydrophobicContact CG2-CG 4.4Å; S136-F269 CarbonylContact O-C 3.39Å; S136-F269 VanDerWaalsContact O-CA 3.24Å; S136-F269 WeakPolarHBondContact O-CA 3.29Å; F137-F269 HydrophobicContact CD1-CB 3.78Å; F137-F269 HydrophobicContact CE1-CB 3.97Å; F137-F269 HydrophobicContact CE1-CG 4.48Å; F137-F269 HydrophobicContact CG-CB 4.46Å; W170-F269 HydrophobicContact CB-CD1 4.02Å; W170-F269 HydrophobicContact CB-CD2 4.08Å; W170-F269 HydrophobicContact CB-CE1 3.67Å; W170-F269 HydrophobicContact CB-CE2 3.74Å; W170-F269 HydrophobicContact CB-CG 4.21Å; W170-F269 HydrophobicContact CB-CZ 3.52Å; W170-F269 AromaticContact CD1-CD2 3.99Å; W170-F269 AromaticContact CD1-CE2 3.47Å; W170-F269 VanDerWaalsContact CD1-CE2 3.47Å; W170-F269 AromaticContact CD1-CZ 3.98Å; W170-F269 AromaticContact CD2-CE2 3.87Å; W170-F269 HydrophobicContact CD2-CE2 3.87Å; W170-F269 AromaticContact CD2-CZ 3.63Å; W170-F269 HydrophobicContact CD2-CZ 3.63Å; W170-F269 AromaticContact CE3-CZ 3.94Å; W170-F269 HydrophobicContact CE3-CZ 3.94Å; W170-F269 HydrophobicContact CG-CD2 4.09Å; W170-F269 HydrophobicContact CG-CE1 4.12Å; W170-F269 AromaticContact CG-CE2 3.42Å; W170-F269 HydrophobicContact CG-CE2 3.42Å; W170-F269 VanDerWaalsContact CG-CE2 3.42Å; W170-F269 AromaticContact CG-CZ 3.43Å; W170-F269 HydrophobicContact CG-CZ 3.43Å; W170-F269 VanDerWaalsContact CG-CZ 3.43Å; W170-F269 PolarHBondContact N-O 2.75Å; W170-F269 AromaticContact NE1-CE2 3.95Å; W170-F269 PolarHBondContact O-N 3.24Å; W219-F269 HydrophobicContact CE3-CE1 4.23Å; W219-F269 HydrophobicContact CH2-CD1 4.11Å; W219-F269 AromaticContact CH2-CE1 3.78Å; W219-F269 HydrophobicContact CH2-CE1 3.78Å; W219-F269 HydrophobicContact CZ2-CE1 4.22Å; W219-F269 HydrophobicContact CZ3-CD1 4.15Å; W219-F269 AromaticContact CZ3-CE1 3.77Å; W219-F269 HydrophobicContact CZ3-CE1 3.77Å; F269-V271 HydrophobicContact CD2-CG2 3.67Å; F269-V271 HydrophobicContact CE2-CG2 3.58Å
270L90.5Very high75.4Confident0 Ų073 Ų730%037%0.374CS..EExtended strand (participates in β ladder)trans-108.5124177.3-179.468.3000108I135 S136 F152 I154 L169 L224 V228 V272I135-L270 WeakPolarHBondContact CA-O 3.5Å; S136-L270 PolarHBondContact N-O 3.22Å; S136-L270 PolarHBondContact O-N 2.97Å; F152-L270 HydrophobicContact CB-CD2 4.33Å; F152-L270 HydrophobicContact CD1-CB 3.65Å; F152-L270 HydrophobicContact CE1-CB 3.79Å; F152-L270 HydrophobicContact CG-CB 4.19Å; F152-L270 HydrophobicContact CG-CD2 4.32Å; F152-L270 HydrophobicContact CZ-CB 4.44Å; I154-L270 HydrophobicContact CD1-CD2 3.69Å; I154-L270 HydrophobicContact CG1-CD2 4.15Å; L169-L270 HydrophobicContact CB-CD1 4.23Å; L224-L270 HydrophobicContact CB-CD1 4.49Å; L224-L270 HydrophobicContact CD1-CD1 4.18Å; V228-L270 HydrophobicContact CG2-CD1 4.44Å; V228-L270 HydrophobicContact CG2-CD2 3.89Å; L270-V272 HydrophobicContact CD2-CG2 3.91Å; L270-V272 HydrophobicContact CG-CG2 3.86Å
271V89.6Confident74.4Confident17 Ų1777.6 Ų77.610%0.10339%0.393CS..EExtended strand (participates in β ladder)trans-101.5118.3173.4-176.50000108.2E133 I134 I135 A167 T168 F269E133-V271 HydrophobicContact CG-CG1 3.76Å; E133-V271 WeakPolarHBondContact OE1-CG1 3.17Å; I134-V271 WeakPolarHBondContact O-CA 3.13Å; I135-V271 HydrophobicContact CG1-CG2 4.49Å; A167-V271 CarbonylContact C-O 3.56Å; A167-V271 VanDerWaalsContact CA-O 3.32Å; A167-V271 WeakPolarHBondContact CA-O 3.28Å; T168-V271 PolarHBondContact N-O 3.25Å; T168-V271 PolarHBondContact O-N 2.89Å; F269-V271 HydrophobicContact CD2-CG2 3.67Å; F269-V271 HydrophobicContact CE2-CG2 3.58Å
272V89.1Confident73.5Confident0 Ų081.4 Ų81.40%039%0.392CS..EExtended strand (participates in β ladder)trans-114.5117.5178.8-173.70000108.4E133 I134 I154 V164 A167 V228 F232 L270E133-V272 CarbonylContact C-O 3.53Å; E133-V272 WeakPolarHBondContact CA-O 2.93Å; I134-V272 HydrophobicContact CB-CB 4.27Å; I134-V272 PolarHBondContact N-O 2.97Å; I134-V272 PolarHBondContact O-N 2.78Å; I154-V272 HydrophobicContact CG2-CG2 4.25Å; V164-V272 HydrophobicContact CB-CG1 4.44Å; V164-V272 HydrophobicContact CG1-CG1 3.78Å; V164-V272 HydrophobicContact CG2-CG1 3.93Å; A167-V272 HydrophobicContact CB-CG2 4.24Å; V228-V272 HydrophobicContact CG1-CG1 3.84Å; V228-V272 HydrophobicContact CG1-CG2 3.87Å; F232-V272 HydrophobicContact CE2-CG1 4.45Å; F232-V272 HydrophobicContact CZ-CG1 4.36Å; L270-V272 HydrophobicContact CD2-CG2 3.91Å; L270-V272 HydrophobicContact CG-CG2 3.86Å
273R88Confident72.7Confident116 Ų11678.1 Ų78.144%0.43838%0.383SS..EExtended strand (participates in β ladder)trans-95.3122.2167.9-63.7179.4175.7-172.8-9.1107.5S132 E133 T165 Q166S132-R273 WeakPolarHBondContact O-CA 3.32Å; E133-R273 HydrophobicContact CG-CG 4.36Å; E133-R273 IonicContact OE1-CZ 3.48Å; E133-R273 IonicContact OE1-NE 3.13Å; E133-R273 PolarHBondContact OE1-NE 3.14Å; E133-R273 IonicContact OE1-NH2 2.99Å; E133-R273 PolarHBondContact OE1-NH2 3.33Å; E133-R273 VanDerWaalsContact OE1-NH2 3.12Å; T165-R273 PolarHBondContact N-O 3.11Å; T165-R273 PolarHBondContact OG1-O 3.33Å; Q166-R273 HydrophobicContact CB-CB 4.21Å; Q166-R273 PolarHBondContact N-O 3.01Å; Q166-R273 VanDerWaalsContact N-O 3.15Å; Q166-R273 PolarHBondContact O-N 3.02Å
274A84.9Confident71.9Confident0 Ų082 Ų820%039%0.394CS..EExtended strand (participates in β ladder)trans-133.1133.1178.200000109.5S131 S132 L162 Q163 V164S131-A274 CarbonylContact C-O 3.56Å; S131-A274 VanDerWaalsContact CA-O 3.32Å; S131-A274 WeakPolarHBondContact CA-O 3.44Å; S132-A274 PolarHBondContact N-O 2.96Å; S132-A274 PolarHBondContact O-N 2.78Å; L162-A274 HydrophobicContact CB-CB 3.96Å; L162-A274 HydrophobicContact CD1-CB 4.36Å; L162-A274 HydrophobicContact CD2-CB 4.43Å; L162-A274 HydrophobicContact CG-CB 4.49Å; Q163-A274 CarbonylContact O-C 3.59Å; Q163-A274 VanDerWaalsContact O-CA 3.26Å; Q163-A274 WeakPolarHBondContact O-CA 3.26Å; V164-A274 HydrophobicContact CG2-CB 4.33Å
275R83.5Confident71Confident70 Ų7080.6 Ų80.626%0.26439%0.385SS..EExtended strand (participates in β ladder)trans-88.7144.6169.764.6-176-171.5137.64.8108.4E129 L162 Q163 T165 A277E129-R275 HydrophobicContact CB-CB 4.12Å; E129-R275 VanDerWaalsContact OE1-CD 3.28Å; E129-R275 WeakPolarHBondContact OE1-CD 2.93Å; E129-R275 IonicContact OE1-CZ 2.88Å; E129-R275 IonicContact OE1-NE 3.62Å; E129-R275 IonicContact OE1-NH1 3.34Å; E129-R275 PolarHBondContact OE1-NH1 3.02Å; E129-R275 VanDerWaalsContact OE2-CD 3.32Å; E129-R275 WeakPolarHBondContact OE2-CD 3.37Å; L162-R275 CarbonylContact C-O 3.58Å; Q163-R275 HydrophobicContact CB-CG 4.06Å; Q163-R275 PolarHBondContact N-O 3.23Å; Q163-R275 PolarHBondContact O-N 3.23Å; Q163-R275 VanDerWaalsContact OE1-CZ 3.26Å; Q163-R275 VanDerWaalsContact OE1-NE 3.09Å; T165-R275 HydrophobicContact CG2-CB 4.07Å; T165-R275 HydrophobicContact CG2-CG 3.71Å; R275-A277 PolarHBondContact O-N 3.5Å; R275-A277 VanDerWaalsContact O-N 3.14Å
276Q73.8Confident70.1Confident59 Ų5987.2 Ų87.228%0.27639%0.392SS..EExtended strand (participates in β ladder)trans-62119.5164.7-163.3170.296.200107.7E130 L162 D278E130-Q276 HydrophobicContact CB-CB 4.4Å; E130-Q276 PolarHBondContact O-N 3.48Å; E130-Q276 PolarHBondContact OE2-NE2 2.89Å; E130-Q276 PolarHBondContact OE2-OE1 3.48Å; L162-Q276 HydrophobicContact CD2-CB 4.41Å; Q276-D278 PolarHBondContact O-N 3.22Å
277A63.9Low69.2Low30 Ų3086 Ų8625%0.24839%0.391CS..PPolyproline II helixtrans-59.9127.7171.400000106.6N161 Q163 R275 G279N161-A277 HydrophobicContact CB-CB 4.33Å; N161-A277 VanDerWaalsContact O-CB 3.27Å; N161-A277 WeakPolarHBondContact O-CB 3.35Å; N161-A277 PolarHBondContact O-N 2.84Å; Q163-A277 HydrophobicContact CB-CB 4.21Å; R275-A277 PolarHBondContact O-N 3.5Å; R275-A277 VanDerWaalsContact O-N 3.14Å; A277-G279 VanDerWaalsContact C-N 3.32Å; A277-G279 PolarHBondContact O-N 2.82Å
278D59.3Low68.8Low144 Ų14485.7 Ų85.777%0.7740%0.396SS*.  trans-53.1101.5173.6-76.5-42.4000108.2Q276 K280Q276-D278 PolarHBondContact O-N 3.22Å; D278-K280 PolarHBondContact O-N 3.41Å
279G49.6Very low68.5Low45 Ų4589.2 Ų89.246%0.46441%0.413SS..  trans-57.4110.4165.900000105.4A277 H281 R282A277-G279 VanDerWaalsContact C-N 3.32Å; A277-G279 PolarHBondContact O-N 2.82Å; G279-H281 PolarHBondContact O-N 2.92Å; G279-R282 PolarHBondContact O-N 3.49Å; G279-R282 VanDerWaalsContact O-N 3.12Å
280K47.7Very low68.2Low203 Ų20388.7 Ų88.788%0.88341%0.414SS*.THydrogen-bonded Turntrans-41.4107.8170.6-77.5-176.3176.3-177.90107.3D278D278-K280 PolarHBondContact O-N 3.41Å
281H44.1Very low67.8Low168 Ų16894.1 Ų94.178%0.77844%0.443SS*.THydrogen-bonded Turntrans48.761.8-179.1-56-84.8000115.8G279 I283G279-H281 PolarHBondContact O-N 2.92Å; H281-I283 HydrophobicContact CB-CG1 4.25Å; H281-I283 PolarHBondContact O-N 3.19Å; H281-I283 VanDerWaalsContact O-N 3.13Å
282R44.5Very low67.2Low195 Ų19597.2 Ų97.274%0.73648%0.479SS*.  trans-7295.9130.3-169.7174144.7135.6-4.6104.4G279 R284G279-R282 PolarHBondContact O-N 3.49Å; G279-R282 VanDerWaalsContact O-N 3.12Å; R282-R284 HydrophobicContact CG-CG 4.26Å; R282-R284 PolarHBondContact O-N 3.16Å
283I47.7Very low66.6Low123 Ų123101.9 Ų101.963%0.63151%0.511SS*.  trans-60.384.5163-58.7172.6000104.5H281 K285H281-I283 HydrophobicContact CB-CG1 4.25Å; H281-I283 PolarHBondContact O-N 3.19Å; H281-I283 VanDerWaalsContact O-N 3.13Å; I283-K285 HydrophobicContact CG2-CG 3.73Å; I283-K285 PolarHBondContact O-N 3.35Å
284R50Low66.1Low128 Ų12898.5 Ų98.548%0.48351%0.505SS..  trans-64.591.9156.2-74.3-171.7-175.9-173.22.7101.8E130 R282 R286E130-R284 IonicContact OE1-CZ 3.36Å; E130-R284 IonicContact OE1-NH1 2.9Å; E130-R284 PolarHBondContact OE1-NH1 3Å; E130-R284 IonicContact OE1-NH2 3.27Å; E130-R284 PolarHBondContact OE1-NH2 3.1Å; E130-R284 IonicContact OE2-NH2 3.46Å; R282-R284 HydrophobicContact CG-CG 4.26Å; R282-R284 PolarHBondContact O-N 3.16Å; R284-R286 PolarHBondContact O-N 3.45Å
285K53.4Low66Low126 Ų126102.5 Ų102.555%0.54853%0.533SS..  trans-56.3109.8170.1-76-173.9179.5175.90104.4I283 P338I283-K285 HydrophobicContact CG2-CG 3.73Å; I283-K285 PolarHBondContact O-N 3.35Å; K285-P338 PolarHBondContact NZ-O 2.04Å
286R59Low66Low228 Ų228100.8 Ų100.886%0.8653%0.529SS*.PPolyproline II helixtrans-57.1141.6170.9-63.2179.6-171.7-178.40.9106.1R284 L288R284-R286 PolarHBondContact O-N 3.45Å; R286-L288 PolarHBondContact O-N 3.45Å
287G65.7Low66.7Low21 Ų2198.6 Ų98.622%0.21652%0.52CS..PPolyproline II helixtrans-48.9143.417100000109.5E289G287-E289 PolarHBondContact O-N 2.99Å
288L79Confident67.8Low87 Ų8797.4 Ų97.446%0.45551%0.51SS..PPolyproline II helixtrans-62.6129.2176.8-68.1172.4000108.2R286 C298 R299R286-L288 PolarHBondContact O-N 3.45Å; L288-C298 HydrophobicContact CB-CB 3.88Å; L288-C298 CarbonylContact O-C 3.48Å; L288-C298 VanDerWaalsContact O-CA 3.24Å; L288-C298 WeakPolarHBondContact O-CA 3.47Å; L288-C298 VanDerWaalsContact O-CB 3.31Å; L288-C298 WeakPolarHBondContact O-CB 3.2Å; L288-R299 PolarHBondContact O-N 3.03Å
289E84.4Confident69.2Low75 Ų7592.1 Ų92.135%0.3548%0.479SS..BIsolated β-bridgetrans-88.5138.4167.9-63-66.7137.300107.9G287 D291 R299 Q301G287-E289 PolarHBondContact O-N 2.99Å; E289-D291 PolarHBondContact O-N 2.99Å; E289-R299 WeakPolarHBondContact CA-O 3.45Å; E289-R299 IonicContact OE1-CZ 3.1Å; E289-R299 IonicContact OE1-NE 2.73Å; E289-R299 PolarHBondContact OE1-NE 3.2Å; E289-R299 IonicContact OE1-NH2 3.25Å; E289-R299 PolarHBondContact OE1-NH2 2.65Å; E289-R299 IonicContact OE2-CZ 3.68Å; E289-R299 IonicContact OE2-NE 3.54Å; E289-R299 PolarHBondContact OE2-NE 3.39Å; E289-R299 IonicContact OE2-NH2 2.86Å; E289-R299 PolarHBondContact OE2-NH2 3.5Å; E289-Q301 PolarHBondContact OE2-NE2 3.5Å
290C85.1Confident71.1Confident28 Ų2893 Ų9319%0.18947%0.471CS..  trans-71.8115.9176-620000109.2C298 R299 Q300C290-C298 WeakPolarHBondContact CA-SG 3.43Å; C290-C298 HydrophobicContact CB-CB 4.01Å; C290-C298 WeakPolarHBondContact CB-SG 3.01Å; C290-C298 WeakPolarHBondContact SG-CB 3.36Å; C290-C298 CovalentContact SG-SG 2.02Å; C290-C298 PolarHBondContact SG-SG 3.22Å; C290-R299 PolarHBondContact N-O 3.41Å; C290-R299 VanDerWaalsContact SG-C 3.51Å; C290-Q300 HydrophobicContact CB-CB 4.34Å
291D82.2Confident73Confident113 Ų11388.4 Ų88.460%0.60445%0.453SS*.  trans-111.94.517966.3-4.6000112.7E289 S293E289-D291 PolarHBondContact O-N 2.99Å; D291-S293 PolarHBondContact O-N 2.94Å; D291-S293 VanDerWaalsContact OD1-CB 3.27Å; D291-S293 WeakPolarHBondContact OD1-CB 3.46Å; D291-S293 PolarHBondContact OD1-N 2.9Å; D291-S293 PolarHBondContact OD1-OG 3.01Å; D291-S293 PolarHBondContact OD2-OG 3.23Å
292G77.4Confident75.1Confident83 Ų8382.9 Ų82.986%0.85643%0.427SS*.SBendtrans76.6-3.2-175.700000114.8
293S75.9Confident77.2Confident97 Ų9777.9 Ų77.968%0.67841%0.408SS*.SBendtrans-86.5-23.8-178.878.30000113.4D291D291-S293 PolarHBondContact O-N 2.94Å; D291-S293 VanDerWaalsContact OD1-CB 3.27Å; D291-S293 WeakPolarHBondContact OD1-CB 3.46Å; D291-S293 PolarHBondContact OD1-N 2.9Å; D291-S293 PolarHBondContact OD1-OG 3.01Å; D291-S293 PolarHBondContact OD2-OG 3.23Å
294S76.6Confident79.2Confident45 Ų4572.3 Ų72.332%0.31538%0.38SS..  trans-130.6138.1-177.282.50000111.6L296S294-L296 PolarHBondContact O-N 3.16Å
295S83.4Confident80.9Confident85 Ų8567.1 Ų67.159%0.59436%0.362SS*.  trans-8521.1173.1710000112.2N329S295-N329 WeakPolarHBondContact O-CB 3.22Å; S295-N329 PolarHBondContact O-N 3.01Å
296L84.3Confident82.6Confident33 Ų3361.1 Ų61.117%0.17334%0.336CS..BIsolated β-bridgetrans-88.9155.8-175.3-65.1168.2000110S294 C298 P331 M334S294-L296 PolarHBondContact O-N 3.16Å; L296-C298 PolarHBondContact O-N 2.89Å; L296-C298 VanDerWaalsContact O-N 3.1Å; L296-C298 PolarHBondContact O-SG 3.46Å; L296-P331 HydrophobicContact CD2-CG 3.98Å; L296-M334 HydrophobicContact CD1-CE 3.21Å; L296-M334 HydrophobicContact CD1-SD 4.1Å; L296-M334 HydrophobicContact CD2-CE 3.62Å; L296-M334 HydrophobicContact CD2-CG 4.01Å; L296-M334 HydrophobicContact CD2-SD 3.92Å; L296-M334 HydrophobicContact CG-CE 3.99Å; L296-M334 HydrophobicContact CG-SD 4.45Å
297C87.1Confident83.9Confident13 Ų1356.7 Ų56.79%0.08832%0.319CS..SBendtrans-54.2117.6177.6179.90000112E327 N329 C330 C366C297-E327 CarbonylContact C-O 3.6Å; C297-E327 WeakPolarHBondContact CA-O 3.36Å; C297-N329 PolarHBondContact N-O 3.3Å; C297-C330 WeakPolarHBondContact CB-SG 3.09Å; C297-C366 WeakPolarHBondContact CA-SG 3.24Å; C297-C366 HydrophobicContact CB-CB 3.68Å; C297-C366 WeakPolarHBondContact CB-SG 3.35Å; C297-C366 VanDerWaalsContact SG-CA 3.5Å; C297-C366 WeakPolarHBondContact SG-CB 3.35Å; C297-C366 CovalentContact SG-SG 2.04Å; C297-C366 PolarHBondContact SG-SG 2.84Å
298C87.3Confident84.8Confident5 Ų562.6 Ų62.63%0.03435%0.345CS..EExtended strand (participates in β ladder)trans-145.7164.9-176.455.90000110.7L288 C290 L296 C326 E327L288-C298 HydrophobicContact CB-CB 3.88Å; L288-C298 CarbonylContact O-C 3.48Å; L288-C298 VanDerWaalsContact O-CA 3.24Å; L288-C298 WeakPolarHBondContact O-CA 3.47Å; L288-C298 VanDerWaalsContact O-CB 3.31Å; L288-C298 WeakPolarHBondContact O-CB 3.2Å; C290-C298 WeakPolarHBondContact CA-SG 3.43Å; C290-C298 HydrophobicContact CB-CB 4.01Å; C290-C298 WeakPolarHBondContact CB-SG 3.01Å; C290-C298 WeakPolarHBondContact SG-CB 3.36Å; C290-C298 CovalentContact SG-SG 2.02Å; C290-C298 PolarHBondContact SG-SG 3.22Å; L296-C298 PolarHBondContact O-N 2.89Å; L296-C298 VanDerWaalsContact O-N 3.1Å; L296-C298 PolarHBondContact O-SG 3.46Å; C298-C326 WeakPolarHBondContact O-CA 3.43Å; C298-E327 PolarHBondContact N-O 3.12Å; C298-E327 PolarHBondContact O-N 3.13Å
299R89.3Confident85.2Confident33 Ų3359.2 Ų59.213%0.12533%0.327CS..EExtended strand (participates in β ladder)trans-90.1123.6172.9-172.5-178.373.6102.15.3109.1L288 E289 C290 N324 V395 D396 C398L288-R299 PolarHBondContact O-N 3.03Å; E289-R299 WeakPolarHBondContact CA-O 3.45Å; E289-R299 IonicContact OE1-CZ 3.1Å; E289-R299 IonicContact OE1-NE 2.73Å; E289-R299 PolarHBondContact OE1-NE 3.2Å; E289-R299 IonicContact OE1-NH2 3.25Å; E289-R299 PolarHBondContact OE1-NH2 2.65Å; E289-R299 IonicContact OE2-CZ 3.68Å; E289-R299 IonicContact OE2-NE 3.54Å; E289-R299 PolarHBondContact OE2-NE 3.39Å; E289-R299 IonicContact OE2-NH2 2.86Å; E289-R299 PolarHBondContact OE2-NH2 3.5Å; C290-R299 PolarHBondContact N-O 3.41Å; C290-R299 VanDerWaalsContact SG-C 3.51Å; R299-N324 HydrophobicContact CG-CB 3.96Å; R299-N324 PolarHBondContact NH1-ND2 3.3Å; R299-N324 PolarHBondContact NH1-OD1 3.44Å; R299-V395 WeakPolarHBondContact CD-O 3.27Å; R299-V395 HydrophobicContact CG-CG1 4.32Å; R299-D396 VanDerWaalsContact CD-O 3.24Å; R299-D396 WeakPolarHBondContact CD-O 3.45Å; R299-C398 VanDerWaalsContact CA-SG 3.56Å
300Q88.7Confident85.3Confident64 Ų6457 Ų5730%0.29933%0.325SS..EExtended strand (participates in β ladder)trans-96.6127.4171.5-177.167.66.500109.4C290 N324 Y325C290-Q300 HydrophobicContact CB-CB 4.34Å; Q300-N324 VanDerWaalsContact O-CA 3.31Å; Q300-N324 WeakPolarHBondContact O-CA 3.47Å; Q300-N324 VanDerWaalsContact O-CB 3.32Å; Q300-N324 WeakPolarHBondContact O-CB 3.31Å; Q300-Y325 HydrophobicContact CB-CD1 4.21Å; Q300-Y325 HydrophobicContact CB-CD2 4.32Å; Q300-Y325 HydrophobicContact CB-CE1 3.83Å; Q300-Y325 HydrophobicContact CB-CE2 3.95Å; Q300-Y325 HydrophobicContact CB-CG 4.44Å; Q300-Y325 HydrophobicContact CG-CD1 4.38Å; Q300-Y325 HydrophobicContact CG-CE1 3.58Å; Q300-Y325 HydrophobicContact CG-CE2 4.26Å; Q300-Y325 WeakPolarHBondContact CG-OH 3.27Å; Q300-Y325 PolarHBondContact N-O 3.3Å; Q300-Y325 PolarHBondContact O-N 3.08Å
301Q88.8Confident85.5Confident107 Ų10756.2 Ų56.250%0.532%0.318SS..PPolyproline II helixtrans-76.9130.2176.2-69.8177.736.500110.7E289 N324E289-Q301 PolarHBondContact OE2-NE2 3.5Å; Q301-N324 WeakPolarHBondContact CA-OD1 3.37Å
302F87.5Confident85.6Confident51 Ų5155.1 Ų55.122%0.22431%0.312CS..  trans-143118.2179.9-175.9-109.5000110.4F66 V70 I304 F322 G323 N324 Y325F66-F302 HydrophobicContact CD1-CZ 4.41Å; F66-F302 HydrophobicContact CE1-CD1 4.09Å; F66-F302 HydrophobicContact CE1-CD2 4.43Å; F66-F302 AromaticContact CE1-CE1 3.57Å; F66-F302 HydrophobicContact CE1-CE1 3.57Å; F66-F302 AromaticContact CE1-CE2 3.97Å; F66-F302 HydrophobicContact CE1-CE2 3.97Å; F66-F302 AromaticContact CE1-CZ 3.54Å; F66-F302 HydrophobicContact CE1-CZ 3.54Å; F66-F302 HydrophobicContact CZ-CD1 4.19Å; F66-F302 HydrophobicContact CZ-CE1 4.11Å; F66-F302 HydrophobicContact CZ-CZ 4.4Å; V70-F302 HydrophobicContact CG2-CE1 4.26Å; F302-I304 HydrophobicContact CD1-CD1 4.23Å; F302-I304 HydrophobicContact CD1-CG1 3.68Å; F302-I304 HydrophobicContact CE1-CD1 4.23Å; F302-I304 HydrophobicContact CE1-CG1 3.42Å; F302-I304 VanDerWaalsContact CE1-CG1 3.42Å; F302-I304 HydrophobicContact CZ-CG1 4.48Å; F302-F322 CarbonylContact O-C 3.45Å; F302-F322 WeakPolarHBondContact O-CA 3.32Å; F302-G323 CarbonylContact O-C 3.49Å; F302-G323 PolarHBondContact O-N 2.87Å; F302-N324 PolarHBondContact N-OD1 3.02Å; F302-Y325 HydrophobicContact CB-CD1 3.95Å; F302-Y325 HydrophobicContact CB-CE1 4.06Å; F302-Y325 HydrophobicContact CG-CE1 4.49Å
303Y88.2Confident85.9Confident90 Ų9053.8 Ų53.835%0.35329%0.285SS..EExtended strand (participates in β ladder)trans-95.7121.9178.6-172.1-97.3000110.7D305 G320 F322Y303-D305 HydrophobicContact CD1-CB 4.31Å; Y303-D305 HydrophobicContact CE1-CB 3.96Å; Y303-G320 WeakPolarHBondContact OH-CA 3.31Å; Y303-G320 PolarHBondContact OH-O 2.97Å; Y303-F322 HydrophobicContact CD2-CD1 4.04Å; Y303-F322 AromaticContact CD2-CD2 3.91Å; Y303-F322 HydrophobicContact CD2-CD2 3.91Å; Y303-F322 AromaticContact CD2-CE1 3.95Å; Y303-F322 HydrophobicContact CD2-CE1 3.95Å; Y303-F322 AromaticContact CD2-CE2 3.82Å; Y303-F322 HydrophobicContact CD2-CE2 3.82Å; Y303-F322 HydrophobicContact CD2-CG 4.02Å; Y303-F322 AromaticContact CD2-CZ 3.84Å; Y303-F322 HydrophobicContact CD2-CZ 3.84Å; Y303-F322 HydrophobicContact CE2-CD2 4.4Å; Y303-F322 HydrophobicContact CE2-CE2 4.27Å; Y303-F322 HydrophobicContact CG-CE1 4.37Å
304I89.1Confident86.3Confident7 Ų749.2 Ų49.24%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-97.9107.3176.5-62.5158.8000107.7V70 F302 F306 I309 G320 Y321V70-I304 HydrophobicContact CG1-CD1 3.52Å; V70-I304 HydrophobicContact CG1-CG1 3.95Å; V70-I304 HydrophobicContact CG1-CG2 4.09Å; V70-I304 HydrophobicContact CG2-CD1 4.46Å; F302-I304 HydrophobicContact CD1-CD1 4.23Å; F302-I304 HydrophobicContact CD1-CG1 3.68Å; F302-I304 HydrophobicContact CE1-CD1 4.23Å; F302-I304 HydrophobicContact CE1-CG1 3.42Å; F302-I304 VanDerWaalsContact CE1-CG1 3.42Å; F302-I304 HydrophobicContact CZ-CG1 4.48Å; I304-F306 HydrophobicContact CG2-CD1 4.25Å; I304-F306 HydrophobicContact CG2-CE1 4.15Å; I304-I309 HydrophobicContact CG2-CD1 4.19Å; I304-G320 CarbonylContact O-C 3.49Å; I304-G320 WeakPolarHBondContact O-CA 3.49Å; I304-Y321 HydrophobicContact CB-CD1 4.18Å; I304-Y321 HydrophobicContact CB-CE1 3.98Å; I304-Y321 HydrophobicContact CD1-CE1 3.71Å; I304-Y321 HydrophobicContact CD1-CE2 4.13Å; I304-Y321 VanDerWaalsContact CD1-CZ 3.47Å; I304-Y321 WeakPolarHBondContact CD1-OH 3.25Å; I304-Y321 HydrophobicContact CG1-CE1 4.46Å; I304-Y321 HydrophobicContact CG2-CE1 4.14Å; I304-Y321 PolarHBondContact N-O 2.81Å; I304-Y321 PolarHBondContact O-N 2.9Å
305D86.9Confident86.8Confident18 Ų1847.2 Ų47.210%0.09624%0.239CC..EExtended strand (participates in β ladder)trans-87.5119.5170.1-170.8-33.4000109.3Y303 R307 L308 I309Y303-D305 HydrophobicContact CD1-CB 4.31Å; Y303-D305 HydrophobicContact CE1-CB 3.96Å; D305-R307 PolarHBondContact O-N 3.26Å; D305-R307 WeakPolarHBondContact OD1-CA 3.45Å; D305-R307 WeakPolarHBondContact OD1-CB 3.43Å; D305-R307 WeakPolarHBondContact OD1-CG 3.43Å; D305-R307 IonicContact OD1-CZ 2.74Å; D305-R307 PolarHBondContact OD1-N 2.94Å; D305-R307 IonicContact OD1-NE 3.06Å; D305-R307 PolarHBondContact OD1-NE 3.37Å; D305-R307 VanDerWaalsContact OD1-NE 3.1Å; D305-R307 IonicContact OD1-NH2 2.79Å; D305-R307 IonicContact OD2-CZ 3.75Å; D305-R307 IonicContact OD2-NE 3.53Å; D305-R307 PolarHBondContact OD2-NE 3.34Å; D305-R307 IonicContact OD2-NH2 3.06Å; D305-R307 PolarHBondContact OD2-NH2 2.88Å; D305-L308 HydrophobicContact CB-CB 4.2Å; D305-L308 HydrophobicContact CB-CD1 3.85Å; D305-L308 HydrophobicContact CB-CG 3.82Å; D305-L308 PolarHBondContact O-N 2.66Å; D305-L308 VanDerWaalsContact O-N 3.09Å; D305-I309 PolarHBondContact O-N 3.26Å
306F89.2Confident86.7Confident1 Ų144.8 Ų44.80%0.00422%0.219CC..THydrogen-bonded Turntrans-65.6-21.3-178.5-66.4-47.8000112.9I74 I304 I309 G310 W311 N312 I315 P318 S319 Y321 M376I74-F306 HydrophobicContact CD1-CE1 3.91Å; I304-F306 HydrophobicContact CG2-CD1 4.25Å; I304-F306 HydrophobicContact CG2-CE1 4.15Å; F306-I309 HydrophobicContact CD1-CD1 3.78Å; F306-I309 HydrophobicContact CD1-CG1 4.39Å; F306-I309 HydrophobicContact CE1-CD1 4.38Å; F306-G310 PolarHBondContact O-N 3.32Å; F306-W311 HydrophobicContact CB-CB 4.46Å; F306-W311 PolarHBondContact O-N 2.81Å; F306-N312 PolarHBondContact O-N 3.32Å; F306-I315 HydrophobicContact CD1-CD1 3.84Å; F306-I315 HydrophobicContact CD2-CB 4.28Å; F306-I315 HydrophobicContact CD2-CD1 4.27Å; F306-I315 HydrophobicContact CD2-CG2 3.67Å; F306-I315 HydrophobicContact CE1-CD1 3.78Å; F306-I315 HydrophobicContact CE2-CD1 4.2Å; F306-I315 HydrophobicContact CE2-CG2 3.71Å; F306-I315 HydrophobicContact CG-CD1 4.1Å; F306-I315 HydrophobicContact CG-CG2 4.36Å; F306-I315 HydrophobicContact CZ-CD1 3.97Å; F306-I315 HydrophobicContact CZ-CG2 4.44Å; F306-P318 HydrophobicContact CD2-CG 4.46Å; F306-P318 WeakPolarHBondContact CD2-O 3.34Å; F306-P318 HydrophobicContact CE2-CG 3.8Å; F306-S319 PolarHBondContact N-O 2.86Å; F306-Y321 HydrophobicContact CE1-CD1 4.02Å; F306-Y321 AromaticContact CE1-CE1 3.82Å; F306-Y321 HydrophobicContact CE1-CE1 3.82Å; F306-Y321 HydrophobicContact CE2-CD1 4.17Å; F306-Y321 AromaticContact CZ-CD1 3.47Å; F306-Y321 HydrophobicContact CZ-CD1 3.47Å; F306-Y321 VanDerWaalsContact CZ-CD1 3.47Å; F306-Y321 AromaticContact CZ-CE1 3.62Å; F306-Y321 HydrophobicContact CZ-CE1 3.62Å; F306-M376 HydrophobicContact CE2-CE 4.12Å; F306-M376 HydrophobicContact CZ-CE 3.74Å
307R86.3Confident86.5Confident134 Ų13443.3 Ų43.351%0.50621%0.211SC..THydrogen-bonded Turntrans-71.5-39.5174-57.1173.4-65.3175.73111.4D305 I309 G310 N312D305-R307 PolarHBondContact O-N 3.26Å; D305-R307 WeakPolarHBondContact OD1-CA 3.45Å; D305-R307 WeakPolarHBondContact OD1-CB 3.43Å; D305-R307 WeakPolarHBondContact OD1-CG 3.43Å; D305-R307 IonicContact OD1-CZ 2.74Å; D305-R307 PolarHBondContact OD1-N 2.94Å; D305-R307 IonicContact OD1-NE 3.06Å; D305-R307 PolarHBondContact OD1-NE 3.37Å; D305-R307 VanDerWaalsContact OD1-NE 3.1Å; D305-R307 IonicContact OD1-NH2 2.79Å; D305-R307 IonicContact OD2-CZ 3.75Å; D305-R307 IonicContact OD2-NE 3.53Å; D305-R307 PolarHBondContact OD2-NE 3.34Å; D305-R307 IonicContact OD2-NH2 3.06Å; D305-R307 PolarHBondContact OD2-NH2 2.88Å; R307-I309 VanDerWaalsContact C-N 3.3Å; R307-I309 PolarHBondContact O-N 2.76Å; R307-G310 PolarHBondContact O-N 2.02Å; R307-G310 VanDerWaalsContact O-N 3.12Å; R307-N312 HydrophobicContact CB-CB 4.34Å; R307-N312 HydrophobicContact CG-CB 3.67Å
308L84.9Confident86.4Confident146 Ų14643 Ų4376%0.76421%0.209SC*.THydrogen-bonded Turntrans-68.4-32.1-179.8-64.9-179000111.9D305 G310D305-L308 HydrophobicContact CB-CB 4.2Å; D305-L308 HydrophobicContact CB-CD1 3.85Å; D305-L308 HydrophobicContact CB-CG 3.82Å; D305-L308 PolarHBondContact O-N 2.66Å; D305-L308 VanDerWaalsContact O-N 3.09Å; L308-G310 VanDerWaalsContact C-N 3.3Å
309I87.1Confident86.2Confident16 Ų1646.4 Ų46.48%0.08223%0.233CC..THydrogen-bonded Turntrans-88.5-0.1174.779.2178.7000113.1L67 K71 I74 I304 D305 F306 R307 W311L67-I309 HydrophobicContact CD1-CG2 3.58Å; L67-I309 HydrophobicContact CG-CG2 4.39Å; K71-I309 HydrophobicContact CG-CD1 4.48Å; I74-I309 HydrophobicContact CD1-CD1 4.14Å; I304-I309 HydrophobicContact CG2-CD1 4.19Å; D305-I309 PolarHBondContact O-N 3.26Å; F306-I309 HydrophobicContact CD1-CD1 3.78Å; F306-I309 HydrophobicContact CD1-CG1 4.39Å; F306-I309 HydrophobicContact CE1-CD1 4.38Å; R307-I309 VanDerWaalsContact C-N 3.3Å; R307-I309 PolarHBondContact O-N 2.76Å; I309-W311 HydrophobicContact CD1-CB 4.17Å; I309-W311 HydrophobicContact CD1-CD2 3.82Å; I309-W311 HydrophobicContact CD1-CE3 3.85Å; I309-W311 HydrophobicContact CD1-CG 3.95Å; I309-W311 HydrophobicContact CG1-CB 3.85Å; I309-W311 HydrophobicContact CG1-CD2 4.18Å; I309-W311 HydrophobicContact CG1-CG 3.79Å
310G86.4Confident86.1Confident29 Ų2944.9 Ų44.930%0.29923%0.227SC..THydrogen-bonded Turntrans70.630177.200000114.8R83 F306 R307 L308R83-G310 VanDerWaalsContact CZ-O 3.3Å; R83-G310 PolarHBondContact NH1-O 3.48Å; R83-G310 PolarHBondContact NH2-O 2.88Å; F306-G310 PolarHBondContact O-N 3.32Å; R307-G310 PolarHBondContact O-N 2.02Å; R307-G310 VanDerWaalsContact O-N 3.12Å; L308-G310 VanDerWaalsContact C-N 3.3Å
311W89.9Confident86Confident11 Ų1142 Ų424%0.04221%0.214CC..  trans-110.46.5-177.3-7618.1000113.7K71 I74 L75 F306 I309 D313 W314 I315K71-W311 HydrophobicContact CB-CH2 3.66Å; K71-W311 HydrophobicContact CB-CZ2 3.55Å; K71-W311 HydrophobicContact CD-CZ2 3.95Å; K71-W311 HydrophobicContact CG-CH2 3.93Å; K71-W311 HydrophobicContact CG-CZ2 3.52Å; K71-W311 VanDerWaalsContact O-CH2 3.31Å; K71-W311 WeakPolarHBondContact O-CH2 3.5Å; I74-W311 HydrophobicContact CB-CH2 4.36Å; I74-W311 HydrophobicContact CB-CZ3 3.71Å; I74-W311 HydrophobicContact CD1-CE3 4.23Å; I74-W311 HydrophobicContact CD1-CZ3 3.83Å; I74-W311 HydrophobicContact CG1-CZ3 4.4Å; I74-W311 HydrophobicContact CG2-CE3 4.36Å; I74-W311 HydrophobicContact CG2-CZ3 3.63Å; L75-W311 HydrophobicContact CD1-CH2 4.02Å; L75-W311 HydrophobicContact CD1-CZ2 4.29Å; L75-W311 HydrophobicContact CD2-CH2 4.18Å; L75-W311 HydrophobicContact CG-CH2 3.69Å; L75-W311 HydrophobicContact CG-CZ2 4.39Å; L75-W311 HydrophobicContact CG-CZ3 4.44Å; F306-W311 HydrophobicContact CB-CB 4.46Å; F306-W311 PolarHBondContact O-N 2.81Å; I309-W311 HydrophobicContact CD1-CB 4.17Å; I309-W311 HydrophobicContact CD1-CD2 3.82Å; I309-W311 HydrophobicContact CD1-CE3 3.85Å; I309-W311 HydrophobicContact CD1-CG 3.95Å; I309-W311 HydrophobicContact CG1-CB 3.85Å; I309-W311 HydrophobicContact CG1-CD2 4.18Å; I309-W311 HydrophobicContact CG1-CG 3.79Å; W311-D313 WeakPolarHBondContact CA-OD1 3.34Å; W311-D313 PolarHBondContact O-N 2.97Å; W311-W314 AromaticContact CD1-NE1 3.87Å; W311-W314 AromaticContact CD2-CZ2 3.88Å; W311-W314 HydrophobicContact CD2-CZ2 3.88Å; W311-W314 AromaticContact CD2-NE1 3.53Å; W311-W314 AromaticContact CE3-CE2 3.98Å; W311-W314 HydrophobicContact CE3-CH2 4.48Å; W311-W314 AromaticContact CE3-CZ2 3.43Å; W311-W314 HydrophobicContact CE3-CZ2 3.43Å; W311-W314 VanDerWaalsContact CE3-CZ2 3.43Å; W311-W314 AromaticContact CE3-NE1 3.95Å; W311-W314 AromaticContact CG-NE1 3.31Å; W311-W314 VanDerWaalsContact CG-NE1 3.31Å; W311-W314 HydrophobicContact CH2-CZ2 4.29Å; W311-W314 HydrophobicContact CZ3-CH2 4.45Å; W311-W314 AromaticContact CZ3-CZ2 3.65Å; W311-W314 HydrophobicContact CZ3-CZ2 3.65Å; W311-W314 PolarHBondContact O-N 3.33Å; W311-I315 HydrophobicContact CB-CD1 4.23Å; W311-I315 HydrophobicContact CE3-CD1 3.78Å; W311-I315 WeakPolarHBondContact O-CB 3.41Å; W311-I315 PolarHBondContact O-N 2.99Å
312N83.4Confident86Confident89 Ų8939.2 Ų39.248%0.47620%0.2SC..THydrogen-bonded Turntrans-72.7-1.9178.368.1-82.3000114.3F306 R307F306-N312 PolarHBondContact O-N 3.32Å; R307-N312 HydrophobicContact CB-CB 4.34Å; R307-N312 HydrophobicContact CG-CB 3.67Å
313D83.4Confident86Confident56 Ų5637.3 Ų37.330%0.29920%0.195SC..THydrogen-bonded Turntrans-83.2-36.5174.463.6-54.3000111.5R83 I86 W311R83-D313 IonicContact CZ-OD1 3.96Å; R83-D313 VanDerWaalsContact CZ-OD1 3.27Å; R83-D313 IonicContact CZ-OD2 3.79Å; R83-D313 IonicContact NE-OD1 3.39Å; R83-D313 IonicContact NE-OD2 2.83Å; R83-D313 PolarHBondContact NE-OD2 3.38Å; R83-D313 IonicContact NH1-OD1 3.8Å; R83-D313 IonicContact NH2-OD1 3.83Å; R83-D313 PolarHBondContact NH2-OD1 2.81Å; R83-D313 IonicContact NH2-OD2 2.93Å; R83-D313 PolarHBondContact NH2-OD2 2.99Å; I86-D313 WeakPolarHBondContact CD1-O 3.36Å; W311-D313 WeakPolarHBondContact CA-OD1 3.34Å; W311-D313 PolarHBondContact O-N 2.97Å
314W85.2Confident86.1Confident0 Ų033.4 Ų33.40%018%0.18CC..THydrogen-bonded Turntrans-109.5-28.2-176.875.7-83.2000114.1L75 L78 L80 R83 P84 I86 W311 Y378 F379L75-W314 HydrophobicContact CD2-CH2 4.34Å; L75-W314 HydrophobicContact CD2-CZ2 4.43Å; L78-W314 HydrophobicContact CD1-CH2 3.62Å; L78-W314 HydrophobicContact CD1-CZ3 4Å; L80-W314 HydrophobicContact CD1-CH2 3.8Å; L80-W314 HydrophobicContact CD1-CZ3 3.59Å; R83-W314 HydrophobicContact CG-CD2 4.45Å; R83-W314 HydrophobicContact CG-CG 4.24Å; P84-W314 HydrophobicContact CG-CD2 4.42Å; P84-W314 HydrophobicContact CG-CE3 3.92Å; P84-W314 HydrophobicContact CG-CZ3 4.26Å; I86-W314 HydrophobicContact CD1-CB 3.28Å; I86-W314 HydrophobicContact CG1-CB 3.96Å; W311-W314 AromaticContact CD1-NE1 3.87Å; W311-W314 AromaticContact CD2-CZ2 3.88Å; W311-W314 HydrophobicContact CD2-CZ2 3.88Å; W311-W314 AromaticContact CD2-NE1 3.53Å; W311-W314 AromaticContact CE3-CE2 3.98Å; W311-W314 HydrophobicContact CE3-CH2 4.48Å; W311-W314 AromaticContact CE3-CZ2 3.43Å; W311-W314 HydrophobicContact CE3-CZ2 3.43Å; W311-W314 VanDerWaalsContact CE3-CZ2 3.43Å; W311-W314 AromaticContact CE3-NE1 3.95Å; W311-W314 AromaticContact CG-NE1 3.31Å; W311-W314 VanDerWaalsContact CG-NE1 3.31Å; W311-W314 HydrophobicContact CH2-CZ2 4.29Å; W311-W314 HydrophobicContact CZ3-CH2 4.45Å; W311-W314 AromaticContact CZ3-CZ2 3.65Å; W311-W314 HydrophobicContact CZ3-CZ2 3.65Å; W311-W314 PolarHBondContact O-N 3.33Å; W314-Y378 HydrophobicContact CE3-CD2 4.06Å; W314-Y378 HydrophobicContact CE3-CG 4.36Å; W314-Y378 AromaticContact CZ3-CD2 3.67Å; W314-Y378 HydrophobicContact CZ3-CD2 3.67Å; W314-Y378 HydrophobicContact CZ3-CE2 4.48Å; W314-Y378 HydrophobicContact CZ3-CG 4.04Å; W314-Y378 CarbonylContact O-C 3.52Å; W314-Y378 WeakPolarHBondContact O-CA 3.14Å; W314-Y378 WeakPolarHBondContact O-CB 3.32Å; W314-F379 PolarHBondContact O-N 3.49Å
315I86Confident86.2Confident4 Ų436.7 Ų36.72%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-88.7110.7167.6-57.2177.3000108F306 W311 M376F306-I315 HydrophobicContact CD1-CD1 3.84Å; F306-I315 HydrophobicContact CD2-CB 4.28Å; F306-I315 HydrophobicContact CD2-CD1 4.27Å; F306-I315 HydrophobicContact CD2-CG2 3.67Å; F306-I315 HydrophobicContact CE1-CD1 3.78Å; F306-I315 HydrophobicContact CE2-CD1 4.2Å; F306-I315 HydrophobicContact CE2-CG2 3.71Å; F306-I315 HydrophobicContact CG-CD1 4.1Å; F306-I315 HydrophobicContact CG-CG2 4.36Å; F306-I315 HydrophobicContact CZ-CD1 3.97Å; F306-I315 HydrophobicContact CZ-CG2 4.44Å; W311-I315 HydrophobicContact CB-CD1 4.23Å; W311-I315 HydrophobicContact CE3-CD1 3.78Å; W311-I315 WeakPolarHBondContact O-CB 3.41Å; W311-I315 PolarHBondContact O-N 2.99Å; I315-M376 HydrophobicContact CD1-CE 3.9Å; I315-M376 HydrophobicContact CG1-CE 4.49Å; I315-M376 HydrophobicContact CG2-CE 4.11Å
316I80.8Confident86.4Confident33 Ų3337 Ų3717%0.16920%0.197CC..EExtended strand (participates in β ladder)trans-80.9-41.5-175.9-56.2166.4000110.2M95 V113 L377 F379 I385M95-I316 HydrophobicContact SD-CG2 4.2Å; V113-I316 HydrophobicContact CG2-CG2 4.27Å; I316-L377 HydrophobicContact CB-CB 4.48Å; I316-L377 HydrophobicContact CB-CD2 3.95Å; I316-L377 HydrophobicContact CB-CG 4.2Å; I316-L377 WeakPolarHBondContact CB-O 3.36Å; I316-L377 HydrophobicContact CD1-CD2 4.2Å; I316-L377 HydrophobicContact CD1-CG 4.2Å; I316-L377 HydrophobicContact CG2-CD2 3.8Å; I316-L377 PolarHBondContact N-O 2.9Å; I316-F379 HydrophobicContact CD1-CD2 3.94Å; I316-F379 HydrophobicContact CD1-CE1 4.24Å; I316-F379 HydrophobicContact CD1-CE2 3.56Å; I316-F379 HydrophobicContact CD1-CG 4.48Å; I316-F379 HydrophobicContact CD1-CZ 3.72Å; I316-F379 HydrophobicContact CG1-CD2 3.99Å; I316-F379 HydrophobicContact CG1-CE2 3.64Å; I316-F379 HydrophobicContact CG1-CZ 4.28Å; I316-I385 HydrophobicContact CD1-CD1 4.48Å; I316-I385 HydrophobicContact CD1-CG1 4.17Å; I316-I385 HydrophobicContact CD1-CG2 4.08Å
317A80.3Confident86.4Confident3 Ų341.7 Ų41.73%0.02522%0.218CC..EExtended strand (participates in β ladder)trans-155.4146.8177.900000111.6I115 L377I115-A317 HydrophobicContact CD1-CB 3.39Å; I115-A317 HydrophobicContact CG1-CB 3.95Å; A317-L377 HydrophobicContact CB-CB 4.24Å; A317-L377 PolarHBondContact N-O 3.25Å; A317-L377 VanDerWaalsContact N-O 3.15Å; A317-L377 PolarHBondContact O-N 3.11Å
318P85.6Confident86.5Confident6 Ų636.6 Ų36.64%0.03921%0.208CC..  cis-71.6-179.8-0.340.9-45.5000111.8L118 F306 G320 M374L118-P318 HydrophobicContact CD2-CB 3.89Å; L118-P318 HydrophobicContact CD2-CG 4.17Å; L118-P318 WeakPolarHBondContact O-CB 3.48Å; F306-P318 HydrophobicContact CD2-CG 4.46Å; F306-P318 WeakPolarHBondContact CD2-O 3.34Å; F306-P318 HydrophobicContact CE2-CG 3.8Å; P318-G320 WeakPolarHBondContact CB-O 3.46Å; P318-G320 WeakPolarHBondContact CG-O 3.32Å; P318-G320 PolarHBondContact O-N 3.35Å; P318-M374 HydrophobicContact CB-CE 4.03Å; P318-M374 HydrophobicContact CG-CE 3.41Å; P318-M374 VanDerWaalsContact CG-CE 3.41Å
319S83.7Confident86.5Confident77 Ų7734.9 Ų34.954%0.53820%0.199SC..SBendtrans-70.6-22.5168.955.30000113.4F306F306-S319 PolarHBondContact N-O 2.86Å
320G85.9Confident86.3Confident0 Ų034.8 Ų34.80%020%0.2CC..EExtended strand (participates in β ladder)trans176.5173.5-178.100000110.2G120 Y303 I304 P318G120-G320 VanDerWaalsContact CA-O 3.29Å; G120-G320 WeakPolarHBondContact CA-O 3.44Å; Y303-G320 WeakPolarHBondContact OH-CA 3.31Å; Y303-G320 PolarHBondContact OH-O 2.97Å; I304-G320 CarbonylContact O-C 3.49Å; I304-G320 WeakPolarHBondContact O-CA 3.49Å; P318-G320 WeakPolarHBondContact CB-O 3.46Å; P318-G320 WeakPolarHBondContact CG-O 3.32Å; P318-G320 PolarHBondContact O-N 3.35Å
321Y87.9Confident85.8Confident3 Ų335 Ų351%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-153.8160.4-176.877.4-77.8000113.2I74 G120 I304 F306 G323 M374 M393 I394I74-Y321 HydrophobicContact CD1-CE1 4.47Å; I74-Y321 HydrophobicContact CG1-CE1 4.5Å; G120-Y321 WeakPolarHBondContact O-CA 3.3Å; I304-Y321 HydrophobicContact CB-CD1 4.18Å; I304-Y321 HydrophobicContact CB-CE1 3.98Å; I304-Y321 HydrophobicContact CD1-CE1 3.71Å; I304-Y321 HydrophobicContact CD1-CE2 4.13Å; I304-Y321 VanDerWaalsContact CD1-CZ 3.47Å; I304-Y321 WeakPolarHBondContact CD1-OH 3.25Å; I304-Y321 HydrophobicContact CG1-CE1 4.46Å; I304-Y321 HydrophobicContact CG2-CE1 4.14Å; I304-Y321 PolarHBondContact N-O 2.81Å; I304-Y321 PolarHBondContact O-N 2.9Å; F306-Y321 HydrophobicContact CE1-CD1 4.02Å; F306-Y321 AromaticContact CE1-CE1 3.82Å; F306-Y321 HydrophobicContact CE1-CE1 3.82Å; F306-Y321 HydrophobicContact CE2-CD1 4.17Å; F306-Y321 AromaticContact CZ-CD1 3.47Å; F306-Y321 HydrophobicContact CZ-CD1 3.47Å; F306-Y321 VanDerWaalsContact CZ-CD1 3.47Å; F306-Y321 AromaticContact CZ-CE1 3.62Å; F306-Y321 HydrophobicContact CZ-CE1 3.62Å; Y321-G323 VanDerWaalsContact CE2-CA 3.41Å; Y321-G323 PolarHBondContact O-N 2.92Å; Y321-G323 VanDerWaalsContact O-N 3.13Å; Y321-M374 WeakPolarHBondContact CB-SD 3.25Å; Y321-M374 HydrophobicContact CD1-SD 4.48Å; Y321-M374 HydrophobicContact CD2-SD 3.93Å; Y321-M374 HydrophobicContact CG-CE 4.45Å; Y321-M374 HydrophobicContact CG-SD 3.72Å; Y321-M393 HydrophobicContact CE1-CE 3.94Å; Y321-M393 HydrophobicContact CE2-CE 4.09Å; Y321-M393 HydrophobicContact CE2-CG 4.02Å; Y321-M393 VanDerWaalsContact CZ-CE 3.47Å; Y321-M393 WeakPolarHBondContact OH-CE 3.22Å; Y321-I394 HydrophobicContact CD2-CG1 3.93Å; Y321-I394 HydrophobicContact CE2-CG1 4.38Å
322F87.9Confident84.8Confident49 Ų4936.1 Ų36.122%0.21521%0.208CC..EExtended strand (participates in β ladder)trans-79.986.2173.1-73.7-79.3000111.8G120 F302 Y303 N324 I394G120-F322 WeakPolarHBondContact O-CD2 3.38Å; G120-F322 PolarHBondContact O-N 2.66Å; F302-F322 CarbonylContact O-C 3.45Å; F302-F322 WeakPolarHBondContact O-CA 3.32Å; Y303-F322 HydrophobicContact CD2-CD1 4.04Å; Y303-F322 AromaticContact CD2-CD2 3.91Å; Y303-F322 HydrophobicContact CD2-CD2 3.91Å; Y303-F322 AromaticContact CD2-CE1 3.95Å; Y303-F322 HydrophobicContact CD2-CE1 3.95Å; Y303-F322 AromaticContact CD2-CE2 3.82Å; Y303-F322 HydrophobicContact CD2-CE2 3.82Å; Y303-F322 HydrophobicContact CD2-CG 4.02Å; Y303-F322 AromaticContact CD2-CZ 3.84Å; Y303-F322 HydrophobicContact CD2-CZ 3.84Å; Y303-F322 HydrophobicContact CE2-CD2 4.4Å; Y303-F322 HydrophobicContact CE2-CE2 4.27Å; Y303-F322 HydrophobicContact CG-CE1 4.37Å; F322-N324 PolarHBondContact O-N 2.71Å; F322-N324 PolarHBondContact O-ND2 3.04Å; F322-I394 WeakPolarHBondContact O-CG2 3.25Å
323G88Confident83.8Confident12 Ų1238.5 Ų38.512%0.12421%0.211CC..  trans-8160.3170.300000111.8F302 Y321F302-G323 CarbonylContact O-C 3.49Å; F302-G323 PolarHBondContact O-N 2.87Å; Y321-G323 VanDerWaalsContact CE2-CA 3.41Å; Y321-G323 PolarHBondContact O-N 2.92Å; Y321-G323 VanDerWaalsContact O-N 3.13Å
324N90.5Very high82.6Confident8 Ų837.7 Ų37.74%0.04321%0.206CC..  trans-54.9154.7-179.3-43.2-60.8000110.9R299 Q300 Q301 F302 F322 V395R299-N324 HydrophobicContact CG-CB 3.96Å; R299-N324 PolarHBondContact NH1-ND2 3.3Å; R299-N324 PolarHBondContact NH1-OD1 3.44Å; Q300-N324 VanDerWaalsContact O-CA 3.31Å; Q300-N324 WeakPolarHBondContact O-CA 3.47Å; Q300-N324 VanDerWaalsContact O-CB 3.32Å; Q300-N324 WeakPolarHBondContact O-CB 3.31Å; Q301-N324 WeakPolarHBondContact CA-OD1 3.37Å; F302-N324 PolarHBondContact N-OD1 3.02Å; F322-N324 PolarHBondContact O-N 2.71Å; F322-N324 PolarHBondContact O-ND2 3.04Å; N324-V395 HydrophobicContact CB-CB 4.18Å; N324-V395 WeakPolarHBondContact CB-O 3.37Å; N324-V395 PolarHBondContact ND2-O 3.34Å; N324-V395 VanDerWaalsContact O-CB 3.27Å; N324-V395 WeakPolarHBondContact O-CB 3.45Å; N324-V395 WeakPolarHBondContact O-CG2 3.14Å
325Y90.3Very high81Confident75 Ų7537.7 Ų37.729%0.29421%0.206SC..EExtended strand (participates in β ladder)trans-134.9165178.968.4-88.5000111.1F66 Q300 F302 E327F66-Y325 HydrophobicContact CZ-CD1 4.31Å; F66-Y325 HydrophobicContact CZ-CE1 4.26Å; Q300-Y325 HydrophobicContact CB-CD1 4.21Å; Q300-Y325 HydrophobicContact CB-CD2 4.32Å; Q300-Y325 HydrophobicContact CB-CE1 3.83Å; Q300-Y325 HydrophobicContact CB-CE2 3.95Å; Q300-Y325 HydrophobicContact CB-CG 4.44Å; Q300-Y325 HydrophobicContact CG-CD1 4.38Å; Q300-Y325 HydrophobicContact CG-CE1 3.58Å; Q300-Y325 HydrophobicContact CG-CE2 4.26Å; Q300-Y325 WeakPolarHBondContact CG-OH 3.27Å; Q300-Y325 PolarHBondContact N-O 3.3Å; Q300-Y325 PolarHBondContact O-N 3.08Å; F302-Y325 HydrophobicContact CB-CD1 3.95Å; F302-Y325 HydrophobicContact CB-CE1 4.06Å; F302-Y325 HydrophobicContact CG-CE1 4.49Å; Y325-E327 HydrophobicContact CD2-CB 4.31Å; Y325-E327 HydrophobicContact CE2-CB 3.91Å; Y325-E327 HydrophobicContact CE2-CG 4.43Å; Y325-E327 VanDerWaalsContact CE2-OE2 3.22Å; Y325-E327 WeakPolarHBondContact CE2-OE2 3.41Å; Y325-E327 PolarHBondContact OH-OE2 2.81Å
326C90.7Very high79.3Confident26 Ų2639.4 Ų39.418%0.17622%0.224CC..EExtended strand (participates in β ladder)trans-99.6133179.3-60.20000110.3C298 I367 P368 C398C298-C326 WeakPolarHBondContact O-CA 3.43Å; C326-I367 VanDerWaalsContact SG-C 3.51Å; C326-P368 VanDerWaalsContact SG-CA 3.55Å; C326-P368 VanDerWaalsContact SG-N 3.35Å; C326-C398 WeakPolarHBondContact CA-SG 3.34Å; C326-C398 HydrophobicContact CB-CB 3.76Å; C326-C398 WeakPolarHBondContact CB-SG 3.47Å; C326-C398 WeakPolarHBondContact SG-CB 3.32Å; C326-C398 CovalentContact SG-SG 2.03Å; C326-C398 PolarHBondContact SG-SG 2.86Å
327E89.3Confident78.1Confident99 Ų9940.1 Ų40.146%0.46323%0.23SC..EExtended strand (participates in β ladder)trans-139.2157.3-178.9-168.9172.916800110.5C297 C298 Y325 C366C297-E327 CarbonylContact C-O 3.6Å; C297-E327 WeakPolarHBondContact CA-O 3.36Å; C298-E327 PolarHBondContact N-O 3.12Å; C298-E327 PolarHBondContact O-N 3.13Å; Y325-E327 HydrophobicContact CD2-CB 4.31Å; Y325-E327 HydrophobicContact CE2-CB 3.91Å; Y325-E327 HydrophobicContact CE2-CG 4.43Å; Y325-E327 VanDerWaalsContact CE2-OE2 3.22Å; Y325-E327 WeakPolarHBondContact CE2-OE2 3.41Å; Y325-E327 PolarHBondContact OH-OE2 2.81Å; E327-C366 PolarHBondContact O-SG 3.41Å
328G88.1Confident76.6Confident27 Ų2745.2 Ų45.228%0.27826%0.263SS..SBendtrans106176.8174.800000113.6C366G328-C366 WeakPolarHBondContact O-CB 3.41Å
329N85Confident75.2Confident110 Ų11048 Ų4859%0.58829%0.293SS*.BIsolated β-bridgetrans-97.5146.7-171.6-66.1-20.2000111.5S295 C297 P331S295-N329 WeakPolarHBondContact O-CB 3.22Å; S295-N329 PolarHBondContact O-N 3.01Å; C297-N329 PolarHBondContact N-O 3.3Å; N329-P331 VanDerWaalsContact C-CD 3.48Å; N329-P331 WeakPolarHBondContact O-CD 3.44Å
330C83.3Confident74.2Confident14 Ų1445.6 Ų45.610%0.09528%0.276CS..BIsolated β-bridgetrans-11280.3177.1-79.30000110.9C297 S364 C400C297-C330 WeakPolarHBondContact CB-SG 3.09Å; C330-S364 WeakPolarHBondContact CB-O 3.05Å; C330-C400 VanDerWaalsContact CA-SG 3.51Å; C330-C400 HydrophobicContact CB-CB 3.61Å; C330-C400 WeakPolarHBondContact CB-SG 3.35Å; C330-C400 WeakPolarHBondContact SG-CA 3.45Å; C330-C400 WeakPolarHBondContact SG-CB 3.27Å; C330-C400 CovalentContact SG-SG 2.03Å; C330-C400 PolarHBondContact SG-SG 3.32Å
331P76.9Confident73.1Confident32 Ų3246.9 Ų46.921%0.20829%0.287CS..  trans-69.1147-17827.6-33.5000111.6L296 N329 Y333 M334 A335L296-P331 HydrophobicContact CD2-CG 3.98Å; N329-P331 VanDerWaalsContact C-CD 3.48Å; N329-P331 WeakPolarHBondContact O-CD 3.44Å; P331-Y333 HydrophobicContact CB-CD1 3.91Å; P331-Y333 HydrophobicContact CB-CE1 3.4Å; P331-Y333 VanDerWaalsContact CB-CE1 3.4Å; P331-Y333 HydrophobicContact CG-CD1 4.22Å; P331-Y333 HydrophobicContact CG-CE1 3.56Å; P331-Y333 HydrophobicContact CG-CE2 3.9Å; P331-Y333 WeakPolarHBondContact CG-OH 3.19Å; P331-Y333 PolarHBondContact O-N 2.98Å; P331-M334 HydrophobicContact CG-CB 3.92Å; P331-M334 HydrophobicContact CG-CG 3.7Å; P331-M334 PolarHBondContact O-N 3.38Å; P331-A335 PolarHBondContact O-N 2.87Å
332A67.5Low72.2Confident36 Ų3648.7 Ų48.730%0.29830%0.3SS..THydrogen-bonded Turntrans36.2-99.6130.600000117.2R353 M354A332-R353 VanDerWaalsContact CA-NH2 3.29Å; A332-R353 VanDerWaalsContact N-NH2 3.15Å; A332-R353 PolarHBondContact O-NH2 2.95Å; A332-M354 HydrophobicContact CB-SD 3.87Å; A332-M354 VanDerWaalsContact O-SD 3.34Å
333Y62.6Low71.3Confident139 Ų13948.7 Ų48.755%0.54531%0.306SS..THydrogen-bonded Turntrans-78.9-20.4-169.757.2-92.7000113.7P331 V337P331-Y333 HydrophobicContact CB-CD1 3.91Å; P331-Y333 HydrophobicContact CB-CE1 3.4Å; P331-Y333 VanDerWaalsContact CB-CE1 3.4Å; P331-Y333 HydrophobicContact CG-CD1 4.22Å; P331-Y333 HydrophobicContact CG-CE1 3.56Å; P331-Y333 HydrophobicContact CG-CE2 3.9Å; P331-Y333 WeakPolarHBondContact CG-OH 3.19Å; P331-Y333 PolarHBondContact O-N 2.98Å; Y333-V337 WeakPolarHBondContact O-CG2 3.05Å
334M58.9Low70.6Confident38 Ų3855.9 Ų55.919%0.18733%0.334CS..THydrogen-bonded Turntrans-81-31.7-178.6-81.3-104.8169.600112.7L296 P331 G336 V337 S340L296-M334 HydrophobicContact CD1-CE 3.21Å; L296-M334 HydrophobicContact CD1-SD 4.1Å; L296-M334 HydrophobicContact CD2-CE 3.62Å; L296-M334 HydrophobicContact CD2-CG 4.01Å; L296-M334 HydrophobicContact CD2-SD 3.92Å; L296-M334 HydrophobicContact CG-CE 3.99Å; L296-M334 HydrophobicContact CG-SD 4.45Å; P331-M334 HydrophobicContact CG-CB 3.92Å; P331-M334 HydrophobicContact CG-CG 3.7Å; P331-M334 PolarHBondContact O-N 3.38Å; M334-G336 PolarHBondContact O-N 2.87Å; M334-G336 VanDerWaalsContact O-N 3.13Å; M334-V337 WeakPolarHBondContact O-CB 3.49Å; M334-V337 PolarHBondContact O-N 2.03Å; M334-S340 WeakPolarHBondContact O-CB 3.24Å
335A52.3Low69.8Low0 Ų062.7 Ų62.70%037%0.365CS..THydrogen-bonded Turntrans-75.5-3.1-173.700000113.4P331 N350 C400P331-A335 PolarHBondContact O-N 2.87Å; A335-N350 HydrophobicContact CB-CB 3.99Å; A335-N350 WeakPolarHBondContact CB-ND2 3.37Å; A335-N350 VanDerWaalsContact CB-OD1 3.27Å; A335-N350 WeakPolarHBondContact CB-OD1 3.39Å; A335-N350 VanDerWaalsContact O-CB 3.31Å; A335-N350 WeakPolarHBondContact O-CB 3.04Å; A335-N350 PolarHBondContact O-ND2 2.71Å; A335-N350 VanDerWaalsContact O-ND2 3.1Å; A335-C400 HydrophobicContact CB-CB 4.09Å
336G49.4Very low68.9Low40 Ų4059.8 Ų59.841%0.41236%0.355SS..THydrogen-bonded Turntrans-108.41.8166.900000114.5M334M334-G336 PolarHBondContact O-N 2.87Å; M334-G336 VanDerWaalsContact O-N 3.13Å
337V55.4Low68.2Low49 Ų4960 Ų6030%0.29736%0.36SS..SBendtrans-77.1127.4177177.80000109.1Y333 M334 G339 S340Y333-V337 WeakPolarHBondContact O-CG2 3.05Å; M334-V337 WeakPolarHBondContact O-CB 3.49Å; M334-V337 PolarHBondContact O-N 2.03Å; V337-G339 PolarHBondContact O-N 3.43Å; V337-G339 VanDerWaalsContact O-N 3.11Å; V337-S340 PolarHBondContact O-N 2.87Å
338P50.3Low67.5Low110 Ų11057.5 Ų57.571%0.71435%0.351SS*.THydrogen-bonded Turntrans-55.4120173.8-23.932.7000110.8K285K285-P338 PolarHBondContact NZ-O 2.04Å
339G56.1Low67Low65 Ų6560.6 Ų60.667%0.6736%0.364SS*.THydrogen-bonded Turntrans102.1-9.9-177.800000115.4V337V337-G339 PolarHBondContact O-N 3.43Å; V337-G339 VanDerWaalsContact O-N 3.11Å
340S61.1Low66.3Low25 Ų2555.5 Ų55.518%0.17534%0.337CS..THydrogen-bonded Turntrans-107.5-14.9176-56.80000112.9M334 V337 G399 C400M334-S340 WeakPolarHBondContact O-CB 3.24Å; V337-S340 PolarHBondContact O-N 2.87Å; S340-G399 CarbonylContact O-C 3.57Å; S340-C400 WeakPolarHBondContact O-CB 3.31Å; S340-C400 PolarHBondContact O-N 3.38Å
341A63.3Low65.9Low28 Ų2859.9 Ų59.923%0.23136%0.356CS..BIsolated β-bridgetrans-84.9132.717500000110.9S343 T346 A347 C400A341-S343 VanDerWaalsContact C-N 3.27Å; A341-S343 PolarHBondContact O-N 3.1Å; A341-T346 HydrophobicContact CB-CG2 4.17Å; A341-A347 HydrophobicContact CB-CB 3.99Å; A341-C400 WeakPolarHBondContact CA-O 3.34Å
342S68.6Low65.9Low40 Ų4064.6 Ų64.628%0.2837%0.37SS..SBendtrans-67.6-24.2179.664.90000114T346 C400 A401S342-T346 PolarHBondContact OG-OG1 2.79Å; S342-C400 PolarHBondContact N-O 3.25Å; S342-C400 PolarHBondContact OG-O 3.48Å; S342-A401 WeakPolarHBondContact OG-CA 3.37Å; S342-A401 VanDerWaalsContact OG-CB 3.25Å; S342-A401 WeakPolarHBondContact OG-CB 3.23Å
343S70.5Confident66.2Low50 Ų5064.9 Ų64.935%0.3536%0.364SS..SBendtrans-154.6166.5-178.976.20000112.7A341 H345 T346 A347A341-S343 VanDerWaalsContact C-N 3.27Å; A341-S343 PolarHBondContact O-N 3.1Å; S343-H345 VanDerWaalsContact C-N 3.33Å; S343-H345 PolarHBondContact OG-N 3.28Å; S343-T346 WeakPolarHBondContact O-CB 3.3Å; S343-T346 PolarHBondContact O-N 3.31Å; S343-T346 WeakPolarHBondContact OG-CB 3.27Å; S343-T346 PolarHBondContact OG-N 2.8Å; S343-T346 PolarHBondContact OG-OG1 2.93Å; S343-A347 PolarHBondContact O-N 3.21Å
344F72.9Confident66.5Low162 Ų16263.4 Ų63.471%0.71136%0.363SS*.Hα-helixtrans-61.7-41171.8-179.2-98.2000111.9T346 A347 V348F344-T346 VanDerWaalsContact C-N 3.33Å; F344-T346 PolarHBondContact O-N 3.28Å; F344-A347 WeakPolarHBondContact O-CB 3.28Å; F344-A347 PolarHBondContact O-N 3.39Å; F344-V348 HydrophobicContact CD1-CG2 4.06Å; F344-V348 HydrophobicContact CE1-CG2 3.62Å; F344-V348 HydrophobicContact CE2-CG2 4.29Å; F344-V348 HydrophobicContact CZ-CG2 3.75Å; F344-V348 WeakPolarHBondContact O-CG2 3.44Å; F344-V348 PolarHBondContact O-N 3.46Å
345H72.9Confident67.4Low151 Ų15169.2 Ų69.270%0.69938%0.383SS*.Hα-helixtrans-60.1-44.3176.4-77-76.1000111.5S343 A347 V348 V349S343-H345 VanDerWaalsContact C-N 3.33Å; S343-H345 PolarHBondContact OG-N 3.28Å; H345-A347 PolarHBondContact O-N 2.89Å; H345-V348 PolarHBondContact O-N 3.47Å; H345-V349 VanDerWaalsContact O-CG2 3.31Å; H345-V349 WeakPolarHBondContact O-CG2 3.4Å; H345-V349 PolarHBondContact O-N 3.47Å
346T72.5Confident68.3Low14 Ų1472.4 Ų72.49%0.08642%0.416CS..Hα-helixtrans-59.8-45174.1-62.30000111.7A341 S342 S343 F344 V348 V349 N350 C400 A401A341-T346 HydrophobicContact CB-CG2 4.17Å; S342-T346 PolarHBondContact OG-OG1 2.79Å; S343-T346 WeakPolarHBondContact O-CB 3.3Å; S343-T346 PolarHBondContact O-N 3.31Å; S343-T346 WeakPolarHBondContact OG-CB 3.27Å; S343-T346 PolarHBondContact OG-N 2.8Å; S343-T346 PolarHBondContact OG-OG1 2.93Å; F344-T346 VanDerWaalsContact C-N 3.33Å; F344-T346 PolarHBondContact O-N 3.28Å; T346-V348 VanDerWaalsContact C-N 3.33Å; T346-V348 PolarHBondContact O-N 3.4Å; T346-V349 PolarHBondContact O-N 2.82Å; T346-N350 VanDerWaalsContact CG2-ND2 3.28Å; T346-N350 WeakPolarHBondContact CG2-ND2 3.29Å; T346-N350 WeakPolarHBondContact O-CB 3.31Å; T346-N350 PolarHBondContact O-N 3.28Å; T346-N350 PolarHBondContact O-ND2 2.91Å; T346-C400 WeakPolarHBondContact CG2-O 3.44Å; T346-A401 WeakPolarHBondContact CG2-OXT 3.35Å
347A74.6Confident69.3Low32 Ų3276.3 Ų76.326%0.26443%0.425SS..Hα-helixtrans-60.5-43.3178.200000111.8A341 S343 F344 H345 N350 Q351A341-A347 HydrophobicContact CB-CB 3.99Å; S343-A347 PolarHBondContact O-N 3.21Å; F344-A347 WeakPolarHBondContact O-CB 3.28Å; F344-A347 PolarHBondContact O-N 3.39Å; H345-A347 PolarHBondContact O-N 2.89Å; A347-N350 PolarHBondContact O-N 2.95Å; A347-Q351 PolarHBondContact O-N 3.11Å
348V76.4Confident69.7Low46 Ų4676.1 Ų76.128%0.27943%0.426SS..Hα-helixtrans-64.1-50.8177.2173.30000111.1F344 H345 T346 N350 Q351 Y352F344-V348 HydrophobicContact CD1-CG2 4.06Å; F344-V348 HydrophobicContact CE1-CG2 3.62Å; F344-V348 HydrophobicContact CE2-CG2 4.29Å; F344-V348 HydrophobicContact CZ-CG2 3.75Å; F344-V348 WeakPolarHBondContact O-CG2 3.44Å; F344-V348 PolarHBondContact O-N 3.46Å; H345-V348 PolarHBondContact O-N 3.47Å; T346-V348 VanDerWaalsContact C-N 3.33Å; T346-V348 PolarHBondContact O-N 3.4Å; V348-N350 VanDerWaalsContact C-N 3.27Å; V348-N350 PolarHBondContact O-N 2.81Å; V348-Q351 WeakPolarHBondContact O-CB 3.43Å; V348-Q351 PolarHBondContact O-N 3.36Å; V348-Y352 HydrophobicContact CG1-CD2 3.92Å; V348-Y352 HydrophobicContact CG1-CE2 3.63Å; V348-Y352 VanDerWaalsContact O-CD2 3.23Å; V348-Y352 WeakPolarHBondContact O-CD2 3.02Å; V348-Y352 PolarHBondContact O-N 2.91Å; V348-Y352 VanDerWaalsContact O-N 3.12Å
349V75.9Confident70Confident92 Ų9276 Ų7656%0.55843%0.426SS*.Hα-helixtrans-58-41.9179170.40000111.1H345 T346 Q351 Y352 R353H345-V349 VanDerWaalsContact O-CG2 3.31Å; H345-V349 WeakPolarHBondContact O-CG2 3.4Å; H345-V349 PolarHBondContact O-N 3.47Å; T346-V349 PolarHBondContact O-N 2.82Å; V349-Q351 VanDerWaalsContact C-N 3.34Å; V349-Q351 PolarHBondContact O-N 3.49Å; V349-Y352 PolarHBondContact O-N 3.47Å; V349-R353 PolarHBondContact O-N 3.44Å
350N71.3Confident70.2Confident3 Ų375.7 Ų75.72%0.01642%0.422CS..Hα-helixtrans-66.5-34.4176.7-78.4-56.3000113.4A335 T346 A347 V348 R353 M354A335-N350 HydrophobicContact CB-CB 3.99Å; A335-N350 WeakPolarHBondContact CB-ND2 3.37Å; A335-N350 VanDerWaalsContact CB-OD1 3.27Å; A335-N350 WeakPolarHBondContact CB-OD1 3.39Å; A335-N350 VanDerWaalsContact O-CB 3.31Å; A335-N350 WeakPolarHBondContact O-CB 3.04Å; A335-N350 PolarHBondContact O-ND2 2.71Å; A335-N350 VanDerWaalsContact O-ND2 3.1Å; T346-N350 VanDerWaalsContact CG2-ND2 3.28Å; T346-N350 WeakPolarHBondContact CG2-ND2 3.29Å; T346-N350 WeakPolarHBondContact O-CB 3.31Å; T346-N350 PolarHBondContact O-N 3.28Å; T346-N350 PolarHBondContact O-ND2 2.91Å; A347-N350 PolarHBondContact O-N 2.95Å; V348-N350 VanDerWaalsContact C-N 3.27Å; V348-N350 PolarHBondContact O-N 2.81Å; N350-R353 WeakPolarHBondContact O-CB 3.01Å; N350-R353 PolarHBondContact O-N 2.03Å; N350-R353 PolarHBondContact OD1-NE 3.37Å; N350-R353 PolarHBondContact OD1-NH2 2.99Å; N350-M354 WeakPolarHBondContact O-CG 3.45Å; N350-M354 PolarHBondContact O-N 3.04Å
351Q75Confident70.2Confident105 Ų10580.1 Ų80.149%0.49145%0.453SS..Hα-helixtrans-64.6-39.3174.2-172.7174.3-500112.1A347 V348 V349 R355A347-Q351 PolarHBondContact O-N 3.11Å; V348-Q351 WeakPolarHBondContact O-CB 3.43Å; V348-Q351 PolarHBondContact O-N 3.36Å; V349-Q351 VanDerWaalsContact C-N 3.34Å; V349-Q351 PolarHBondContact O-N 3.49Å; Q351-R355 WeakPolarHBondContact O-CG 3.43Å; Q351-R355 PolarHBondContact O-N 3.06Å
352Y76.3Confident70.3Confident131 Ų13184.9 Ų84.951%0.51447%0.472SS..Hα-helixtrans-65.3-39.5172.4-78.4-80.7000112V348 V349 R355 G356 M357V348-Y352 HydrophobicContact CG1-CD2 3.92Å; V348-Y352 HydrophobicContact CG1-CE2 3.63Å; V348-Y352 VanDerWaalsContact O-CD2 3.23Å; V348-Y352 WeakPolarHBondContact O-CD2 3.02Å; V348-Y352 PolarHBondContact O-N 2.91Å; V348-Y352 VanDerWaalsContact O-N 3.12Å; V349-Y352 PolarHBondContact O-N 3.47Å; Y352-R355 PolarHBondContact O-N 2.93Å; Y352-G356 PolarHBondContact O-N 3.22Å; Y352-M357 HydrophobicContact CD1-CB 4.42Å; Y352-M357 HydrophobicContact CD1-SD 4.06Å; Y352-M357 PolarHBondContact O-N 3.02Å; Y352-M357 VanDerWaalsContact O-N 3.14Å
353R73.1Confident70.3Confident43 Ų4389.7 Ų89.716%0.16249%0.494CS..Hα-helixtrans-61.4-45.9175.8-171.8172.566.2109.71.6112.4A332 V349 N350 R355 G356A332-R353 VanDerWaalsContact CA-NH2 3.29Å; A332-R353 VanDerWaalsContact N-NH2 3.15Å; A332-R353 PolarHBondContact O-NH2 2.95Å; V349-R353 PolarHBondContact O-N 3.44Å; N350-R353 WeakPolarHBondContact O-CB 3.01Å; N350-R353 PolarHBondContact O-N 2.03Å; N350-R353 PolarHBondContact OD1-NE 3.37Å; N350-R353 PolarHBondContact OD1-NH2 2.99Å; R353-R355 PolarHBondContact O-N 3.36Å; R353-G356 PolarHBondContact O-N 3Å
354M70.6Confident70.7Confident107 Ų10788.1 Ų88.153%0.52748%0.483SS..Hα-helixtrans-61.7-25176.3-73.3-63.1-69.400113.1A332 N350 G356A332-M354 HydrophobicContact CB-SD 3.87Å; A332-M354 VanDerWaalsContact O-SD 3.34Å; N350-M354 WeakPolarHBondContact O-CG 3.45Å; N350-M354 PolarHBondContact O-N 3.04Å; M354-G356 VanDerWaalsContact C-N 3.3Å
355R76.9Confident71.2Confident160 Ų16084 Ų8460%0.60447%0.474SS*.THydrogen-bonded Turntrans-86.44.7175-70179.6173.9180-1.2113.7Q351 Y352 R353 M357Q351-R355 WeakPolarHBondContact O-CG 3.43Å; Q351-R355 PolarHBondContact O-N 3.06Å; Y352-R355 PolarHBondContact O-N 2.93Å; R353-R355 PolarHBondContact O-N 3.36Å; R355-M357 VanDerWaalsContact C-N 3.26Å; R355-M357 HydrophobicContact CB-CE 4.25Å; R355-M357 HydrophobicContact CB-CG 4.26Å; R355-M357 HydrophobicContact CB-SD 3.64Å; R355-M357 PolarHBondContact O-N 3.46Å
356G70.3Confident71.9Confident68 Ų6878.1 Ų78.170%0.70145%0.449SS*.THydrogen-bonded Turntrans73.115.7179.500000114.1Y352 R353 M354 S358Y352-G356 PolarHBondContact O-N 3.22Å; R353-G356 PolarHBondContact O-N 3Å; M354-G356 VanDerWaalsContact C-N 3.3Å; G356-S358 VanDerWaalsContact C-N 3.29Å; G356-S358 PolarHBondContact O-N 3.13Å
357M71.1Confident72.7Confident121 Ų12180.4 Ų80.460%0.59646%0.46SS*.  trans-94.519.7-176.9-63.5155.4169.700112.2Y352 R355Y352-M357 HydrophobicContact CD1-CB 4.42Å; Y352-M357 HydrophobicContact CD1-SD 4.06Å; Y352-M357 PolarHBondContact O-N 3.02Å; Y352-M357 VanDerWaalsContact O-N 3.14Å; R355-M357 VanDerWaalsContact C-N 3.26Å; R355-M357 HydrophobicContact CB-CE 4.25Å; R355-M357 HydrophobicContact CB-CG 4.26Å; R355-M357 HydrophobicContact CB-SD 3.64Å; R355-M357 PolarHBondContact O-N 3.46Å
358S64Low73.4Confident46 Ų4681.4 Ų81.432%0.32246%0.464SS..  trans-82.4132.9-172.7-171.90000112.2G356 G360G356-S358 VanDerWaalsContact C-N 3.29Å; G356-S358 PolarHBondContact O-N 3.13Å; S358-G360 PolarHBondContact O-N 2.97Å; S358-G360 PolarHBondContact OG-O 3.19Å; S358-G360 VanDerWaalsContact OG-O 3.08Å
359P56.8Low73.8Confident108 Ų10882 Ų8270%0.70147%0.468SS*.SBendtrans-7488.5163.930.3-29000109.3
360G60.7Low74.3Confident58 Ų5881.5 Ų81.560%0.59846%0.458SS*.SBendtrans76.5-174.3171.200000116.9S358 M362S358-G360 PolarHBondContact O-N 2.97Å; S358-G360 PolarHBondContact OG-O 3.19Å; S358-G360 VanDerWaalsContact OG-O 3.08Å; G360-M362 PolarHBondContact O-N 3.06Å
361S60.9Low75Confident117 Ų11784.5 Ų84.582%0.81847%0.474SS*.  trans-78.176.3-175.766.10000112.3
362M64.2Low75.4Confident129 Ų12980.4 Ų80.464%0.63546%0.457SS*.PPolyproline II helixtrans-89.6116.2167.1-63.8-159.3177.200109.7G360G360-M362 PolarHBondContact O-N 3.06Å
363N69.7Low75.8Confident140 Ų14077.3 Ų77.375%0.74945%0.452SS*.PPolyproline II helixtrans-92.7137.5175.5-68.9-21.1000109.7
364S77.6Confident76.2Confident17 Ų1775.8 Ų75.812%0.11945%0.447CS..BIsolated β-bridgetrans-76.9144.6171.2-67.60000110.6C330 A401C330-S364 WeakPolarHBondContact CB-O 3.05Å; S364-A401 CarbonylContact C-O 3.48Å; S364-A401 WeakPolarHBondContact CA-O 3.39Å; S364-A401 VanDerWaalsContact CB-O 3.3Å; S364-A401 WeakPolarHBondContact CB-O 3.43Å
365C85.1Confident76.6Confident76 Ų7671.8 Ų71.851%0.51443%0.43SS..  trans-104.6143.8177.7-65.30000110.7I367 C400 A401C365-I367 HydrophobicContact CB-CG2 4.04Å; C365-I367 PolarHBondContact O-N 2.92Å; C365-C400 WeakPolarHBondContact O-CA 3.33Å; C365-A401 PolarHBondContact N-O 2.97Å; C365-A401 PolarHBondContact O-N 3.1Å
366C87.8Confident76.7Confident27 Ų2764.2 Ų64.218%0.18240%0.401CS..EExtended strand (participates in β ladder)trans-79.9115.2169.7-172.30000109C297 E327 G328C297-C366 WeakPolarHBondContact CA-SG 3.24Å; C297-C366 HydrophobicContact CB-CB 3.68Å; C297-C366 WeakPolarHBondContact CB-SG 3.35Å; C297-C366 VanDerWaalsContact SG-CA 3.5Å; C297-C366 WeakPolarHBondContact SG-CB 3.35Å; C297-C366 CovalentContact SG-SG 2.04Å; C297-C366 PolarHBondContact SG-SG 2.84Å; E327-C366 PolarHBondContact O-SG 3.41Å; G328-C366 WeakPolarHBondContact O-CB 3.41Å
367I88.8Confident77.2Confident62 Ų6261 Ų6132%0.31837%0.367SS..EExtended strand (participates in β ladder)trans-131.5157.1-174.866.2161000111.6C326 C365 T369 C398 G399 A401C326-I367 VanDerWaalsContact SG-C 3.51Å; C365-I367 HydrophobicContact CB-CG2 4.04Å; C365-I367 PolarHBondContact O-N 2.92Å; I367-T369 PolarHBondContact O-N 2.94Å; I367-C398 CarbonylContact O-C 3.39Å; I367-C398 WeakPolarHBondContact O-CA 3.4Å; I367-G399 PolarHBondContact N-O 3.42Å; I367-G399 PolarHBondContact O-N 3.44Å; I367-G399 VanDerWaalsContact O-O 3.11Å; I367-A401 HydrophobicContact CD1-CB 3.4Å; I367-A401 VanDerWaalsContact CD1-CB 3.4Å; I367-A401 HydrophobicContact CG1-CB 3.76Å
368P89.1Confident77.7Confident54 Ų5455.7 Ų55.735%0.35134%0.341SS..EExtended strand (participates in β ladder)trans-62.2127.7168.6-22.133.6000111.1C326 L371 V395C326-P368 VanDerWaalsContact SG-CA 3.55Å; C326-P368 VanDerWaalsContact SG-N 3.35Å; P368-L371 HydrophobicContact CB-CD1 4.15Å; P368-L371 HydrophobicContact CB-CD2 3.95Å; P368-L371 HydrophobicContact CB-CG 4.04Å; P368-V395 HydrophobicContact CB-CG1 4.05Å; P368-V395 HydrophobicContact CB-CG2 4.06Å; P368-V395 HydrophobicContact CG-CG1 4.36Å; P368-V395 HydrophobicContact CG-CG2 3.87Å
369T85.3Confident78.3Confident58 Ų5853.8 Ų53.836%0.35633%0.327SS..EExtended strand (participates in β ladder)trans-104.1-24.9176.252.60000112.2I367 E397I367-T369 PolarHBondContact O-N 2.94Å; T369-E397 PolarHBondContact N-O 3.31Å; T369-E397 PolarHBondContact OG1-O 3.27Å
370K85.6Confident79.2Confident81 Ų8150 Ų5035%0.35230%0.301SS..EExtended strand (participates in β ladder)trans-136.9129.7175.9-169.5-177.7175.9-175.20110.2D396 E397K370-D396 HydrophobicContact CB-CB 4.18Å; K370-D396 HydrophobicContact CD-CB 4.04Å; K370-D396 HydrophobicContact CG-CB 4.04Å; K370-D396 PolarHBondContact O-N 3.5Å; K370-E397 HydrophobicContact CB-CB 3.77Å; K370-E397 HydrophobicContact CB-CG 4.06Å; K370-E397 HydrophobicContact CD-CG 4.05Å; K370-E397 VanDerWaalsContact CD-OE1 3.3Å; K370-E397 WeakPolarHBondContact CD-OE1 3.44Å; K370-E397 PolarHBondContact N-O 3.33Å; K370-E397 IonicContact NZ-OE1 2.62Å; K370-E397 PolarHBondContact NZ-OE1 2.9Å; K370-E397 PolarHBondContact O-N 3.49Å
371L85.8Confident79.9Confident67 Ų6751.3 Ų51.335%0.35129%0.294SS..EExtended strand (participates in β ladder)trans-128.5139.7-179.5-64.6141.5000109.3P368 N392 I394 V395P368-L371 HydrophobicContact CB-CD1 4.15Å; P368-L371 HydrophobicContact CB-CD2 3.95Å; P368-L371 HydrophobicContact CB-CG 4.04Å; L371-N392 HydrophobicContact CB-CB 3.57Å; L371-N392 HydrophobicContact CD1-CB 3.84Å; L371-N392 HydrophobicContact CD2-CB 4.31Å; L371-N392 HydrophobicContact CG-CB 4.1Å; L371-I394 CarbonylContact C-O 3.54Å; L371-I394 WeakPolarHBondContact CA-O 3.44Å; L371-V395 HydrophobicContact CD2-CB 4.41Å; L371-V395 HydrophobicContact CD2-CG2 3.7Å
372S84.2Confident80.4Confident18 Ų1852 Ų5213%0.12628%0.284CS..EExtended strand (participates in β ladder)trans-105152.3175.849.80000112.2M393 I394 D396S372-M393 PolarHBondContact O-N 3.45Å; S372-I394 PolarHBondContact N-O 3.35Å; S372-I394 PolarHBondContact O-N 3.4Å; S372-I394 VanDerWaalsContact OG-CB 3.3Å; S372-I394 WeakPolarHBondContact OG-CB 3.31Å; S372-I394 WeakPolarHBondContact OG-CG2 3.49Å; S372-D396 VanDerWaalsContact CB-OD2 3.25Å; S372-D396 WeakPolarHBondContact CB-OD2 2.95Å; S372-D396 PolarHBondContact OG-OD1 3.49Å; S372-D396 PolarHBondContact OG-OD2 3.07Å
373T84.7Confident80.8Confident67 Ų6750.1 Ų50.141%0.41127%0.271SS..EExtended strand (participates in β ladder)trans-83143.5175.3-610000109.6D389 V390 P391T373-D389 HydrophobicContact CG2-CB 3.88Å; T373-V390 WeakPolarHBondContact CA-O 3.46Å; T373-V390 WeakPolarHBondContact CG2-O 3.47Å; T373-P391 WeakPolarHBondContact OG1-CA 3.06Å
374M81.7Confident80.9Confident10 Ų1047.7 Ų47.75%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-128.7131.8176.6-179.4173-16000111.4L118 P318 Y321 V390 M393 I394L118-M374 HydrophobicContact CD2-CE 3.61Å; P318-M374 HydrophobicContact CB-CE 4.03Å; P318-M374 HydrophobicContact CG-CE 3.41Å; P318-M374 VanDerWaalsContact CG-CE 3.41Å; Y321-M374 WeakPolarHBondContact CB-SD 3.25Å; Y321-M374 HydrophobicContact CD1-SD 4.48Å; Y321-M374 HydrophobicContact CD2-SD 3.93Å; Y321-M374 HydrophobicContact CG-CE 4.45Å; Y321-M374 HydrophobicContact CG-SD 3.72Å; M374-V390 PolarHBondContact N-O 3.35Å; M374-V390 WeakPolarHBondContact O-CB 3.48Å; M374-V390 PolarHBondContact O-N 3.02Å; M374-M393 HydrophobicContact CB-CB 3.96Å; M374-M393 HydrophobicContact CB-CG 4.14Å; M374-I394 HydrophobicContact CB-CD1 4.13Å; M374-I394 HydrophobicContact CG-CD1 4.45Å; M374-I394 HydrophobicContact SD-CD1 4.09Å
375S77.9Confident80.7Confident24 Ų2448.7 Ų48.717%0.16826%0.261CS..EExtended strand (participates in β ladder)trans-72.1137.4171-54.60000111.1L118 R388 D389L118-S375 WeakPolarHBondContact CD2-O 3.33Å; S375-R388 CarbonylContact C-O 3.55Å; S375-R388 WeakPolarHBondContact CA-O 3.46Å; S375-D389 WeakPolarHBondContact CA-OD1 2.96Å; S375-D389 VanDerWaalsContact CB-OD1 3.24Å; S375-D389 WeakPolarHBondContact CB-OD1 3.42Å; S375-D389 PolarHBondContact OG-OD1 3.4Å
376M79.8Confident80.3Confident0 Ų047 Ų470%025%0.249CC..EExtended strand (participates in β ladder)trans-132.6144.2174.9-65.5-173.970.800110.1I74 L78 F306 I315 Y378 K387 R388 V390 M393I74-M376 HydrophobicContact CG2-CE 4.42Å; L78-M376 HydrophobicContact CD1-CE 4.27Å; L78-M376 HydrophobicContact CD2-SD 4Å; F306-M376 HydrophobicContact CE2-CE 4.12Å; F306-M376 HydrophobicContact CZ-CE 3.74Å; I315-M376 HydrophobicContact CD1-CE 3.9Å; I315-M376 HydrophobicContact CG1-CE 4.49Å; I315-M376 HydrophobicContact CG2-CE 4.11Å; M376-Y378 HydrophobicContact CB-CD1 4.28Å; M376-K387 WeakPolarHBondContact O-CA 3.14Å; M376-R388 PolarHBondContact N-O 3.02Å; M376-R388 PolarHBondContact O-N 3.3Å; M376-V390 HydrophobicContact CB-CG2 4.15Å; M376-V390 HydrophobicContact CG-CG2 3.96Å; M376-V390 HydrophobicContact SD-CG2 3.87Å; M376-M393 HydrophobicContact SD-CE 4.08Å
377L80.3Confident79.8Confident0 Ų050.1 Ų50.10%026%0.259CS..EExtended strand (participates in β ladder)trans-120.4118.2173.5-172.278.5000108.9L99 A104 I115 I316 A317 I385 V386 K387L99-L377 HydrophobicContact CD2-CD2 3.27Å; L99-L377 HydrophobicContact CG-CD2 4.44Å; A104-L377 HydrophobicContact CB-CD1 4.5Å; I115-L377 HydrophobicContact CD1-CB 4.1Å; I115-L377 HydrophobicContact CD1-CD2 4.12Å; I316-L377 HydrophobicContact CB-CB 4.48Å; I316-L377 HydrophobicContact CB-CD2 3.95Å; I316-L377 HydrophobicContact CB-CG 4.2Å; I316-L377 WeakPolarHBondContact CB-O 3.36Å; I316-L377 HydrophobicContact CD1-CD2 4.2Å; I316-L377 HydrophobicContact CD1-CG 4.2Å; I316-L377 HydrophobicContact CG2-CD2 3.8Å; I316-L377 PolarHBondContact N-O 2.9Å; A317-L377 HydrophobicContact CB-CB 4.24Å; A317-L377 PolarHBondContact N-O 3.25Å; A317-L377 VanDerWaalsContact N-O 3.15Å; A317-L377 PolarHBondContact O-N 3.11Å; L377-I385 HydrophobicContact CD1-CG2 3.57Å; L377-I385 HydrophobicContact CD2-CG2 4.38Å; L377-I385 HydrophobicContact CG-CG2 4.02Å; L377-V386 WeakPolarHBondContact CA-O 3.35Å; L377-K387 HydrophobicContact CD1-CB 3.8Å; L377-K387 HydrophobicContact CD1-CG 4.46Å
378Y82.6Confident79.2Confident10 Ų1050.8 Ų50.84%0.03926%0.258CS..EExtended strand (participates in β ladder)trans-149.5168.7-174.464.2-83000111.6L78 L80 W314 M376 V386 R388L78-Y378 HydrophobicContact CD2-CD1 4.19Å; L78-Y378 HydrophobicContact CD2-CE1 3.64Å; L80-Y378 HydrophobicContact CD1-CD2 4.41Å; L80-Y378 HydrophobicContact CD1-CE2 4.06Å; W314-Y378 HydrophobicContact CE3-CD2 4.06Å; W314-Y378 HydrophobicContact CE3-CG 4.36Å; W314-Y378 AromaticContact CZ3-CD2 3.67Å; W314-Y378 HydrophobicContact CZ3-CD2 3.67Å; W314-Y378 HydrophobicContact CZ3-CE2 4.48Å; W314-Y378 HydrophobicContact CZ3-CG 4.04Å; W314-Y378 CarbonylContact O-C 3.52Å; W314-Y378 WeakPolarHBondContact O-CA 3.14Å; W314-Y378 WeakPolarHBondContact O-CB 3.32Å; M376-Y378 HydrophobicContact CB-CD1 4.28Å; Y378-V386 HydrophobicContact CE1-CB 4.4Å; Y378-V386 HydrophobicContact CE1-CG1 4.32Å; Y378-V386 HydrophobicContact CE2-CB 4.45Å; Y378-V386 PolarHBondContact N-O 3.32Å; Y378-V386 VanDerWaalsContact N-O 3.07Å; Y378-V386 PolarHBondContact O-N 3.27Å; Y378-R388 HydrophobicContact CE1-CB 4.22Å
379F76.6Confident78.8Confident6 Ų652.7 Ų52.73%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-89.7134.7170.9-67.7-76.4000111.3P84 I86 V90 M95 W314 I316 N384 I385P84-F379 WeakPolarHBondContact CG-O 3.1Å; I86-F379 HydrophobicContact CD1-CB 3.7Å; I86-F379 HydrophobicContact CD1-CD2 3.36Å; I86-F379 HydrophobicContact CD1-CE2 4.15Å; I86-F379 HydrophobicContact CD1-CG 3.73Å; V90-F379 HydrophobicContact CB-CE1 4.26Å; V90-F379 HydrophobicContact CB-CZ 3.98Å; V90-F379 HydrophobicContact CG2-CD1 4.48Å; V90-F379 HydrophobicContact CG2-CE1 3.47Å; V90-F379 VanDerWaalsContact CG2-CE1 3.47Å; V90-F379 HydrophobicContact CG2-CZ 3.58Å; M95-F379 HydrophobicContact CE-CZ 4.1Å; W314-F379 PolarHBondContact O-N 3.49Å; I316-F379 HydrophobicContact CD1-CD2 3.94Å; I316-F379 HydrophobicContact CD1-CE1 4.24Å; I316-F379 HydrophobicContact CD1-CE2 3.56Å; I316-F379 HydrophobicContact CD1-CG 4.48Å; I316-F379 HydrophobicContact CD1-CZ 3.72Å; I316-F379 HydrophobicContact CG1-CD2 3.99Å; I316-F379 HydrophobicContact CG1-CE2 3.64Å; I316-F379 HydrophobicContact CG1-CZ 4.28Å; F379-N384 VanDerWaalsContact CA-O 3.28Å; F379-N384 WeakPolarHBondContact CA-O 3.3Å; F379-I385 HydrophobicContact CD1-CG1 3.88Å; F379-I385 HydrophobicContact CE1-CD1 4.04Å; F379-I385 HydrophobicContact CE1-CG1 3.41Å; F379-I385 VanDerWaalsContact CE1-CG1 3.41Å; F379-I385 HydrophobicContact CZ-CD1 4.47Å; F379-I385 HydrophobicContact CZ-CG1 4.16Å
380D74.8Confident78.5Confident30 Ų3050 Ų5016%0.1625%0.248CC..  trans-81.2178.5168.667.411.5000112.3E382 Y383 N384 V386D380-E382 PolarHBondContact O-N 2.97Å; D380-E382 VanDerWaalsContact OD1-C 3.26Å; D380-E382 WeakPolarHBondContact OD1-CA 3.43Å; D380-E382 PolarHBondContact OD1-N 2.96Å; D380-E382 VanDerWaalsContact OD1-N 3.13Å; D380-Y383 PolarHBondContact O-N 3Å; D380-Y383 VanDerWaalsContact O-N 3.08Å; D380-Y383 PolarHBondContact OD1-N 3.14Å; D380-N384 PolarHBondContact N-O 3.45Å; D380-N384 WeakPolarHBondContact OD1-CA 3.49Å; D380-N384 WeakPolarHBondContact OD1-CB 3.49Å; D380-N384 PolarHBondContact OD1-N 3.17Å; D380-N384 PolarHBondContact OD1-ND2 3.05Å; D380-N384 WeakPolarHBondContact OD2-CB 3.35Å; D380-N384 PolarHBondContact OD2-ND2 3.08Å; D380-V386 HydrophobicContact CB-CG2 4.16Å
381D74.9Confident78.3Confident84 Ų8448.9 Ų48.945%0.44925%0.249SC..THydrogen-bonded Turntrans-63.6-23.2-179.3-64.7-35.5000112.3P84P84-D381 WeakPolarHBondContact CA-OD1 3.45Å; P84-D381 WeakPolarHBondContact CB-OD1 3.24Å; P84-D381 WeakPolarHBondContact CG-OD1 3.25Å
382E72.9Confident78.2Confident131 Ų13149 Ų4961%0.61225%0.251SS*.THydrogen-bonded Turntrans-93.613176.3-62.480.3-168.900113.9D380 N384D380-E382 PolarHBondContact O-N 2.97Å; D380-E382 VanDerWaalsContact OD1-C 3.26Å; D380-E382 WeakPolarHBondContact OD1-CA 3.43Å; D380-E382 PolarHBondContact OD1-N 2.96Å; D380-E382 VanDerWaalsContact OD1-N 3.13Å; E382-N384 VanDerWaalsContact C-N 3.27Å; E382-N384 WeakPolarHBondContact CB-ND2 3.39Å; E382-N384 PolarHBondContact O-N 3.21Å
383Y71.6Confident78.3Confident91 Ų9148.4 Ų48.436%0.35725%0.246SC..SBendtrans64.819179.3-62.7-99.5000115.6N85 I86 T87 D380N85-Y383 PolarHBondContact O-OH 2.7Å; I86-Y383 HydrophobicContact CB-CE1 4.48Å; I86-Y383 HydrophobicContact CG2-CE1 4.19Å; T87-Y383 PolarHBondContact N-OH 3.32Å; T87-Y383 PolarHBondContact OG1-OH 3.49Å; D380-Y383 PolarHBondContact O-N 3Å; D380-Y383 VanDerWaalsContact O-N 3.08Å; D380-Y383 PolarHBondContact OD1-N 3.14Å
384N71.6Confident78.5Confident89 Ų8945.3 Ų45.348%0.47623%0.227SC..  trans-82.1146.2172-49-70.5000111.1F379 D380 E382 V386F379-N384 VanDerWaalsContact CA-O 3.28Å; F379-N384 WeakPolarHBondContact CA-O 3.3Å; D380-N384 PolarHBondContact N-O 3.45Å; D380-N384 WeakPolarHBondContact OD1-CA 3.49Å; D380-N384 WeakPolarHBondContact OD1-CB 3.49Å; D380-N384 PolarHBondContact OD1-N 3.17Å; D380-N384 PolarHBondContact OD1-ND2 3.05Å; D380-N384 WeakPolarHBondContact OD2-CB 3.35Å; D380-N384 PolarHBondContact OD2-ND2 3.08Å; E382-N384 VanDerWaalsContact C-N 3.27Å; E382-N384 WeakPolarHBondContact CB-ND2 3.39Å; E382-N384 PolarHBondContact O-N 3.21Å; N384-V386 PolarHBondContact O-N 3.12Å
385I73.4Confident78.9Confident37 Ų3745.5 Ų45.519%0.1923%0.228CC..EExtended strand (participates in β ladder)trans-84.3114.6173.4-62.7172.6000108.8M95 A98 L102 I316 L377 F379M95-I385 HydrophobicContact CG-CD1 4.5Å; A98-I385 HydrophobicContact CB-CD1 3.89Å; L102-I385 HydrophobicContact CD1-CG2 4.19Å; I316-I385 HydrophobicContact CD1-CD1 4.48Å; I316-I385 HydrophobicContact CD1-CG1 4.17Å; I316-I385 HydrophobicContact CD1-CG2 4.08Å; L377-I385 HydrophobicContact CD1-CG2 3.57Å; L377-I385 HydrophobicContact CD2-CG2 4.38Å; L377-I385 HydrophobicContact CG-CG2 4.02Å; F379-I385 HydrophobicContact CD1-CG1 3.88Å; F379-I385 HydrophobicContact CE1-CD1 4.04Å; F379-I385 HydrophobicContact CE1-CG1 3.41Å; F379-I385 VanDerWaalsContact CE1-CG1 3.41Å; F379-I385 HydrophobicContact CZ-CD1 4.47Å; F379-I385 HydrophobicContact CZ-CG1 4.16Å
386V77.1Confident79.3Confident41 Ų4146.2 Ų46.225%0.24823%0.23CC..EExtended strand (participates in β ladder)trans-110.9124.6-178.7-177.80000110L377 Y378 D380 N384 R388L377-V386 WeakPolarHBondContact CA-O 3.35Å; Y378-V386 HydrophobicContact CE1-CB 4.4Å; Y378-V386 HydrophobicContact CE1-CG1 4.32Å; Y378-V386 HydrophobicContact CE2-CB 4.45Å; Y378-V386 PolarHBondContact N-O 3.32Å; Y378-V386 VanDerWaalsContact N-O 3.07Å; Y378-V386 PolarHBondContact O-N 3.27Å; D380-V386 HydrophobicContact CB-CG2 4.16Å; N384-V386 PolarHBondContact O-N 3.12Å; V386-R388 HydrophobicContact CG1-CB 4.42Å
387K77.2Confident79.6Confident93 Ų9349.4 Ų49.440%0.40425%0.245SC..EExtended strand (participates in β ladder)trans-98.1121.9165.5-175.2-170.6176-171.70108.4A104 M376 L377A104-K387 HydrophobicContact CB-CD 3.97Å; M376-K387 WeakPolarHBondContact O-CA 3.14Å; L377-K387 HydrophobicContact CD1-CB 3.8Å; L377-K387 HydrophobicContact CD1-CG 4.46Å
388R77.1Confident79.9Confident76 Ų7650 Ų5029%0.28725%0.249SC..EExtended strand (participates in β ladder)trans-136.1137.8-180-173.3174.4-177165.65.3111.3L78 Q79 S375 M376 Y378 V386 V390L78-R388 PolarHBondContact O-NH1 3.48Å; Q79-R388 VanDerWaalsContact CD-NH2 3.27Å; Q79-R388 VanDerWaalsContact OE1-NH1 3.12Å; S375-R388 CarbonylContact C-O 3.55Å; S375-R388 WeakPolarHBondContact CA-O 3.46Å; M376-R388 PolarHBondContact N-O 3.02Å; M376-R388 PolarHBondContact O-N 3.3Å; Y378-R388 HydrophobicContact CE1-CB 4.22Å; V386-R388 HydrophobicContact CG1-CB 4.42Å; R388-V390 HydrophobicContact CG-CG2 4.47Å; R388-V390 PolarHBondContact O-N 3.03Å
389D79.2Confident80Confident94 Ų9449.6 Ų49.650%0.50325%0.248SC..EExtended strand (participates in β ladder)trans-85.7109.3166.4-61.5-35.3000108.6T373 S375 P391T373-D389 HydrophobicContact CG2-CB 3.88Å; S375-D389 WeakPolarHBondContact CA-OD1 2.96Å; S375-D389 VanDerWaalsContact CB-OD1 3.24Å; S375-D389 WeakPolarHBondContact CB-OD1 3.42Å; S375-D389 PolarHBondContact OG-OD1 3.4Å; D389-P391 WeakPolarHBondContact O-CD 3.28Å
390V79Confident80.3Confident0 Ų049.5 Ų49.50%025%0.248CC..EExtended strand (participates in β ladder)trans-90.1107.6-176-172.80000108.1R77 L78 T373 M374 M376 R388 M393R77-V390 HydrophobicContact CB-CG1 3.61Å; L78-V390 HydrophobicContact CD2-CG2 3.53Å; T373-V390 WeakPolarHBondContact CA-O 3.46Å; T373-V390 WeakPolarHBondContact CG2-O 3.47Å; M374-V390 PolarHBondContact N-O 3.35Å; M374-V390 WeakPolarHBondContact O-CB 3.48Å; M374-V390 PolarHBondContact O-N 3.02Å; M376-V390 HydrophobicContact CB-CG2 4.15Å; M376-V390 HydrophobicContact CG-CG2 3.96Å; M376-V390 HydrophobicContact SD-CG2 3.87Å; R388-V390 HydrophobicContact CG-CG2 4.47Å; R388-V390 PolarHBondContact O-N 3.03Å; V390-M393 HydrophobicContact CG1-CB 4.36Å; V390-M393 HydrophobicContact CG1-CG 4.44Å; V390-M393 HydrophobicContact CG1-SD 3.95Å
391P82.2Confident80.5Confident58 Ų5850.5 Ų50.538%0.37726%0.26SS..EExtended strand (participates in β ladder)trans-65.6162.9-178.527.7-34000110.7R77 T373 D389 M393R77-P391 VanDerWaalsContact CZ-O 3.31Å; R77-P391 PolarHBondContact NE-O 2.89Å; R77-P391 PolarHBondContact NH2-O 3.37Å; T373-P391 WeakPolarHBondContact OG1-CA 3.06Å; D389-P391 WeakPolarHBondContact O-CD 3.28Å; P391-M393 VanDerWaalsContact C-N 3.26Å; P391-M393 PolarHBondContact O-N 3.41Å; P391-M393 VanDerWaalsContact O-N 3.08Å
392N83.8Confident80.8Confident71 Ų7148.8 Ų48.838%0.3825%0.251SS..EExtended strand (participates in β ladder)trans36.950175.2-35.3-34.6000115R77 L371R77-N392 PolarHBondContact NE-O 3.35Å; R77-N392 PolarHBondContact NH2-ND2 2.79Å; L371-N392 HydrophobicContact CB-CB 3.57Å; L371-N392 HydrophobicContact CD1-CB 3.84Å; L371-N392 HydrophobicContact CD2-CB 4.31Å; L371-N392 HydrophobicContact CG-CB 4.1Å
393M86.4Confident81.2Confident5 Ų544.5 Ų44.53%0.02523%0.232CC..EExtended strand (participates in β ladder)trans-95.5-29.6-175.5-169.563.4178.500112.1I74 R77 Y321 S372 M374 M376 V390 P391I74-M393 HydrophobicContact CB-CE 4.2Å; I74-M393 HydrophobicContact CG1-CE 3.71Å; I74-M393 HydrophobicContact CG2-CE 4.1Å; R77-M393 HydrophobicContact CB-SD 3.92Å; R77-M393 HydrophobicContact CG-SD 3.77Å; Y321-M393 HydrophobicContact CE1-CE 3.94Å; Y321-M393 HydrophobicContact CE2-CE 4.09Å; Y321-M393 HydrophobicContact CE2-CG 4.02Å; Y321-M393 VanDerWaalsContact CZ-CE 3.47Å; Y321-M393 WeakPolarHBondContact OH-CE 3.22Å; S372-M393 PolarHBondContact O-N 3.45Å; M374-M393 HydrophobicContact CB-CB 3.96Å; M374-M393 HydrophobicContact CB-CG 4.14Å; M376-M393 HydrophobicContact SD-CE 4.08Å; V390-M393 HydrophobicContact CG1-CB 4.36Å; V390-M393 HydrophobicContact CG1-CG 4.44Å; V390-M393 HydrophobicContact CG1-SD 3.95Å; P391-M393 VanDerWaalsContact C-N 3.26Å; P391-M393 PolarHBondContact O-N 3.41Å; P391-M393 VanDerWaalsContact O-N 3.08Å
394I89.2Confident81.7Confident2 Ų241.9 Ų41.91%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-117130.8-176.7-65.1169.6000108.2Y321 F322 L371 S372 M374Y321-I394 HydrophobicContact CD2-CG1 3.93Å; Y321-I394 HydrophobicContact CE2-CG1 4.38Å; F322-I394 WeakPolarHBondContact O-CG2 3.25Å; L371-I394 CarbonylContact C-O 3.54Å; L371-I394 WeakPolarHBondContact CA-O 3.44Å; S372-I394 PolarHBondContact N-O 3.35Å; S372-I394 PolarHBondContact O-N 3.4Å; S372-I394 VanDerWaalsContact OG-CB 3.3Å; S372-I394 WeakPolarHBondContact OG-CB 3.31Å; S372-I394 WeakPolarHBondContact OG-CG2 3.49Å; M374-I394 HydrophobicContact CB-CD1 4.13Å; M374-I394 HydrophobicContact CG-CD1 4.45Å; M374-I394 HydrophobicContact SD-CD1 4.09Å
395V89.8Confident82.3Confident13 Ų1339.1 Ų39.18%0.07921%0.21CC..EExtended strand (participates in β ladder)trans-80.7122170.4178.30000108.9R299 N324 P368 L371R299-V395 WeakPolarHBondContact CD-O 3.27Å; R299-V395 HydrophobicContact CG-CG1 4.32Å; N324-V395 HydrophobicContact CB-CB 4.18Å; N324-V395 WeakPolarHBondContact CB-O 3.37Å; N324-V395 PolarHBondContact ND2-O 3.34Å; N324-V395 VanDerWaalsContact O-CB 3.27Å; N324-V395 WeakPolarHBondContact O-CB 3.45Å; N324-V395 WeakPolarHBondContact O-CG2 3.14Å; P368-V395 HydrophobicContact CB-CG1 4.05Å; P368-V395 HydrophobicContact CB-CG2 4.06Å; P368-V395 HydrophobicContact CG-CG1 4.36Å; P368-V395 HydrophobicContact CG-CG2 3.87Å; L371-V395 HydrophobicContact CD2-CB 4.41Å; L371-V395 HydrophobicContact CD2-CG2 3.7Å
396D85.9Confident82.9Confident39 Ų3939.3 Ų39.321%0.20921%0.212CC..EExtended strand (participates in β ladder)trans-98.8-38.4177.4-65.3-20.7000111.6R299 K370 S372R299-D396 VanDerWaalsContact CD-O 3.24Å; R299-D396 WeakPolarHBondContact CD-O 3.45Å; K370-D396 HydrophobicContact CB-CB 4.18Å; K370-D396 HydrophobicContact CD-CB 4.04Å; K370-D396 HydrophobicContact CG-CB 4.04Å; K370-D396 PolarHBondContact O-N 3.5Å; S372-D396 VanDerWaalsContact CB-OD2 3.25Å; S372-D396 WeakPolarHBondContact CB-OD2 2.95Å; S372-D396 PolarHBondContact OG-OD1 3.49Å; S372-D396 PolarHBondContact OG-OD2 3.07Å
397E86.1Confident83.3Confident68 Ų6839.1 Ų39.132%0.31821%0.209SC..EExtended strand (participates in β ladder)trans-143.7146.6-177.4-59.5172.6-158.700110.7T369 K370T369-E397 PolarHBondContact N-O 3.31Å; T369-E397 PolarHBondContact OG1-O 3.27Å; K370-E397 HydrophobicContact CB-CB 3.77Å; K370-E397 HydrophobicContact CB-CG 4.06Å; K370-E397 HydrophobicContact CD-CG 4.05Å; K370-E397 VanDerWaalsContact CD-OE1 3.3Å; K370-E397 WeakPolarHBondContact CD-OE1 3.44Å; K370-E397 PolarHBondContact N-O 3.33Å; K370-E397 IonicContact NZ-OE1 2.62Å; K370-E397 PolarHBondContact NZ-OE1 2.9Å; K370-E397 PolarHBondContact O-N 3.49Å
398C86.6Confident83.7Confident11 Ų1135.3 Ų35.37%0.07420%0.195CC..EExtended strand (participates in β ladder)trans-117.4155177.4-620000110.7R299 C326 I367R299-C398 VanDerWaalsContact CA-SG 3.56Å; C326-C398 WeakPolarHBondContact CA-SG 3.34Å; C326-C398 HydrophobicContact CB-CB 3.76Å; C326-C398 WeakPolarHBondContact CB-SG 3.47Å; C326-C398 WeakPolarHBondContact SG-CB 3.32Å; C326-C398 CovalentContact SG-SG 2.03Å; C326-C398 PolarHBondContact SG-SG 2.86Å; I367-C398 CarbonylContact O-C 3.39Å; I367-C398 WeakPolarHBondContact O-CA 3.4Å
399G84.9Confident84.2Confident3 Ų332.2 Ų32.23%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-164.5170.4176.100000112.5S340 I367S340-G399 CarbonylContact O-C 3.57Å; I367-G399 PolarHBondContact N-O 3.42Å; I367-G399 PolarHBondContact O-N 3.44Å; I367-G399 VanDerWaalsContact O-O 3.11Å
400C82.9Confident84.6Confident3 Ų327 Ų272%0.0216%0.162CC..EExtended strand (participates in β ladder)trans-88.8131.4-179.4-62.80000111C330 A335 S340 A341 S342 T346 C365C330-C400 VanDerWaalsContact CA-SG 3.51Å; C330-C400 HydrophobicContact CB-CB 3.61Å; C330-C400 WeakPolarHBondContact CB-SG 3.35Å; C330-C400 WeakPolarHBondContact SG-CA 3.45Å; C330-C400 WeakPolarHBondContact SG-CB 3.27Å; C330-C400 CovalentContact SG-SG 2.03Å; C330-C400 PolarHBondContact SG-SG 3.32Å; A335-C400 HydrophobicContact CB-CB 4.09Å; S340-C400 WeakPolarHBondContact O-CB 3.31Å; S340-C400 PolarHBondContact O-N 3.38Å; A341-C400 WeakPolarHBondContact CA-O 3.34Å; S342-C400 PolarHBondContact N-O 3.25Å; S342-C400 PolarHBondContact OG-O 3.48Å; T346-C400 WeakPolarHBondContact CG2-O 3.44Å; C365-C400 WeakPolarHBondContact O-CA 3.33Å
401A78.9Confident85.1Confident51 Ų5129.5 Ų29.542%0.42118%0.177SC..  trans-119.20175.400000112.1S342 T346 S364 C365 I367S342-A401 WeakPolarHBondContact OG-CA 3.37Å; S342-A401 VanDerWaalsContact OG-CB 3.25Å; S342-A401 WeakPolarHBondContact OG-CB 3.23Å; T346-A401 WeakPolarHBondContact CG2-OXT 3.35Å; S364-A401 CarbonylContact C-O 3.48Å; S364-A401 WeakPolarHBondContact CA-O 3.39Å; S364-A401 VanDerWaalsContact CB-O 3.3Å; S364-A401 WeakPolarHBondContact CB-O 3.43Å; C365-A401 PolarHBondContact N-O 2.97Å; C365-A401 PolarHBondContact O-N 3.1Å; I367-A401 HydrophobicContact CD1-CB 3.4Å; I367-A401 VanDerWaalsContact CD1-CB 3.4Å; I367-A401 HydrophobicContact CG1-CB 3.76Å

Retrieved 401 of 401 residues in 76.9 ms (Link to these results)