A0A077ZFI9_TRITR Loading...

39S ribosomal protein L9

AlphaFold DB , UniProt , Accession A0A077ZFI9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M39.5Very low41.7Very low248 Ų248154.2 Ų154.2100%1.22286%0.856SS**  0135.10-70.5178.18700107.9
2T35.5Very low42.1Very low143 Ų143152.9 Ų152.988%0.87786%0.855SS**  trans-54129.1-166.538.60000115.7
3A42.8Very low42.2Very low104 Ų104150.5 Ų150.586%0.8685%0.846SS**  trans-133.1110161.500000109.4
4L39.9Very low42Very low165 Ų165147.1 Ų147.186%0.86484%0.837SS**  trans-78.7132.2172.1-79.3144.8000109.6
5L47Very low41.8Very low165 Ų165143.8 Ų143.886%0.86483%0.827SS**  trans-167.2122.9147.6-109.2143.3000110
6P42.6Very low41.7Very low117 Ų117146.4 Ų146.476%0.7682%0.819SS**PPolyproline II helixtrans-81.1135.4-176.232.6-32.8000110.9
7R43.5Very low42Very low254 Ų254144.7 Ų144.796%0.95881%0.813SS**PPolyproline II helixtrans-81.6124.3171.5-84.2-173.9174.8-171.8-0.9110.7
8L42.3Very low42.1Very low152 Ų152145.8 Ų145.880%0.79680%0.804SS**PPolyproline II helixtrans-66143.3169.3-86147.2000113
9L43Very low42.5Very low149 Ų149146.4 Ų146.478%0.7880%0.804SS**  trans81.8154.2148-67166.4000119.7
10P43.4Very low43.2Very low115 Ų115147.2 Ų147.275%0.74781%0.806SS**  cis-130.8160.912.627.1-4000117.2
11A38.7Very low44Very low84 Ų84147.4 Ų147.469%0.69481%0.806SS**  trans-61.8127.6170.700000112.1V13A11-V13 PolarHBondContact O-N 3.36Å
12V47.1Very low45.3Very low139 Ų139144.1 Ų144.184%0.84278%0.78SS**  trans-74.2102.3168.2176.90000108S14V12-S14 PolarHBondContact O-N 3.46Å; V12-S14 VanDerWaalsContact O-N 3.09Å
13V42.8Very low46.9Very low121 Ų121148.1 Ų148.173%0.73378%0.779SS**  trans-67.6102.8170176.70000108A11 S15A11-V13 PolarHBondContact O-N 3.36Å; V13-S15 PolarHBondContact O-N 3.1Å
14S40.2Very low48.8Very low103 Ų103145.4 Ų145.472%0.7275%0.754SS**  trans-63.1100.9168.4-1780000108.9V12 R16V12-S14 PolarHBondContact O-N 3.46Å; V12-S14 VanDerWaalsContact O-N 3.09Å; S14-R16 PolarHBondContact O-N 3.46Å
15S39.2Very low51.2Low98 Ų98141.6 Ų141.669%0.68574%0.738SS**  trans-73.492.9170.3-65.10000108.3V13 V17V13-S15 PolarHBondContact O-N 3.1Å; S15-V17 VanDerWaalsContact C-N 3.33Å; S15-V17 PolarHBondContact O-N 3.4Å
16R40.2Very low53.3Low185 Ų185141.2 Ų141.270%0.69873%0.725SS**  trans-61.997.2164.1-93-177.5168.4179.9-4.6108.2S14 Y18S14-R16 PolarHBondContact O-N 3.46Å; R16-Y18 VanDerWaalsContact C-N 3.27Å; R16-Y18 HydrophobicContact CB-CD2 4.11Å; R16-Y18 HydrophobicContact CB-CE2 3.67Å; R16-Y18 VanDerWaalsContact CD-OH 3.31Å; R16-Y18 WeakPolarHBondContact CD-OH 3.48Å; R16-Y18 PolarHBondContact NH1-OH 3.15Å; R16-Y18 VanDerWaalsContact NH1-OH 3.1Å; R16-Y18 WeakPolarHBondContact O-CD2 3.45Å; R16-Y18 PolarHBondContact O-N 3.5Å
17V45.7Very low55.6Low118 Ų118139 Ų13972%0.71571%0.709SS**  trans-67.192.4162.8-179.80000106.5S15 L19S15-V17 VanDerWaalsContact C-N 3.33Å; S15-V17 PolarHBondContact O-N 3.4Å; V17-L19 VanDerWaalsContact C-N 3.3Å; V17-L19 HydrophobicContact CG1-CD2 4.23Å; V17-L19 HydrophobicContact CG1-CG 4.28Å; V17-L19 PolarHBondContact O-N 3.49Å
18Y44.6Very low58Low165 Ų165131.1 Ų131.165%0.64769%0.685SS**  trans-69.697.1162.2-64.1-84.5000106.2R16 L20R16-Y18 VanDerWaalsContact C-N 3.27Å; R16-Y18 HydrophobicContact CB-CD2 4.11Å; R16-Y18 HydrophobicContact CB-CE2 3.67Å; R16-Y18 VanDerWaalsContact CD-OH 3.31Å; R16-Y18 WeakPolarHBondContact CD-OH 3.48Å; R16-Y18 PolarHBondContact NH1-OH 3.15Å; R16-Y18 VanDerWaalsContact NH1-OH 3.1Å; R16-Y18 WeakPolarHBondContact O-CD2 3.45Å; R16-Y18 PolarHBondContact O-N 3.5Å; Y18-L20 PolarHBondContact O-N 3.17Å
19L49.7Very low60.4Low157 Ų157130.1 Ų130.182%0.82268%0.675SS**  trans-60.393.8162.2-71.2170.7000106.1V17 L21V17-L19 VanDerWaalsContact C-N 3.3Å; V17-L19 HydrophobicContact CG1-CD2 4.23Å; V17-L19 HydrophobicContact CG1-CG 4.28Å; V17-L19 PolarHBondContact O-N 3.49Å; L19-L21 PolarHBondContact O-N 3.39Å
20L56Low62.7Low161 Ų161125.7 Ų125.784%0.84365%0.65SS**  trans-57.8111168.2-81.4168.3000106Y18 R22Y18-L20 PolarHBondContact O-N 3.17Å; L20-R22 PolarHBondContact O-N 3.24Å
21L61Low65Low153 Ų153122.4 Ų122.480%0.80163%0.632SS**  trans-66.384.1174.8-158.790.6000107.3L19 R23L19-L21 PolarHBondContact O-N 3.39Å; L21-R23 PolarHBondContact O-N 2.98Å
22R65.6Low67.5Low178 Ų178123.6 Ų123.667%0.67262%0.622SS**  trans-68.9112.9174.3-172.4173.9178.1-151.3-9106.6L20 S24 E62L20-R22 PolarHBondContact O-N 3.24Å; R22-S24 PolarHBondContact O-N 3.35Å; R22-E62 IonicContact CZ-OE1 3.11Å; R22-E62 IonicContact NH1-OE1 2.72Å; R22-E62 PolarHBondContact NH1-OE1 3.3Å; R22-E62 IonicContact NH2-OE1 2.88Å; R22-E62 PolarHBondContact NH2-OE1 3.18Å
23R70.7Confident69.5Low227 Ų227123.2 Ų123.286%0.85762%0.622SS**  trans-77.6116.8172.4-66.2-176.6178.7178.8-0.5107.4L21L21-R23 PolarHBondContact O-N 2.98Å
24S82.9Confident71.7Confident48 Ų48120.2 Ų120.234%0.33660%0.602SS.*  trans-119.3139170.653.10000108.6R22R22-S24 PolarHBondContact O-N 3.35Å
25T88.3Confident73.9Confident85 Ų85118.9 Ų118.952%0.52159%0.591SS.*  trans-101.1139.2171.4-36.60000108.3D61T25-D61 WeakPolarHBondContact CA-OD2 3.32Å; T25-D61 VanDerWaalsContact CB-CG 3.45Å; T25-D61 WeakPolarHBondContact CB-OD1 3.27Å; T25-D61 WeakPolarHBondContact CB-OD2 3.37Å; T25-D61 PolarHBondContact N-OD2 3.01Å; T25-D61 PolarHBondContact O-N 3.4Å; T25-D61 VanDerWaalsContact O-N 3.13Å; T25-D61 PolarHBondContact OG1-OD2 3.47Å
26W91Very high76.2Confident157 Ų157120.6 Ų120.660%0.59560%0.597SS**EExtended strand (participates in β ladder)trans-124.9130.6172.1-61.4-52.1000108L28W26-L28 HydrophobicContact CB-CD2 4.36Å
27V92.6Very high78.6Confident69 Ų69114.4 Ų114.442%0.41858%0.579SS.*EExtended strand (participates in β ladder)trans-92.7119172-175.30000107.5V58 E59V27-V58 PolarHBondContact O-N 2.81Å; V27-E59 HydrophobicContact CB-CB 4.01Å; V27-E59 HydrophobicContact CG2-CB 4.16Å; V27-E59 PolarHBondContact N-O 2.92Å; V27-E59 PolarHBondContact O-N 3.37Å
28L93.3Very high80.8Confident89 Ų89111.8 Ų111.847%0.46657%0.565SS.*EExtended strand (participates in β ladder)trans-110.2143-176.8-60.6-177.7000110.4W26 Y55 E56 I57W26-L28 HydrophobicContact CB-CD2 4.36Å; L28-Y55 HydrophobicContact CB-CD1 4.02Å; L28-Y55 HydrophobicContact CB-CG 4.23Å; L28-Y55 HydrophobicContact CD1-CD2 4.5Å; L28-Y55 HydrophobicContact CD1-CG 4.15Å; L28-E56 WeakPolarHBondContact CA-O 3.14Å; L28-I57 HydrophobicContact CD2-CB 4.41Å; L28-I57 HydrophobicContact CD2-CG1 3.84Å
29K93.3Very high83.1Confident132 Ų132110.2 Ų110.257%0.57458%0.575SS**EExtended strand (participates in β ladder)trans-118.7145.4169.7176.1-176.9173.9-169.10109A31 Y55 E56 V58K29-A31 PolarHBondContact O-N 3.33Å; K29-Y55 CarbonylContact O-C 3.51Å; K29-Y55 VanDerWaalsContact O-CA 3.27Å; K29-Y55 WeakPolarHBondContact O-CA 3.34Å; K29-E56 PolarHBondContact N-O 3.43Å; K29-E56 PolarHBondContact O-N 3.23Å; K29-V58 HydrophobicContact CB-CG2 3.33Å; K29-V58 HydrophobicContact CD-CG2 4.37Å; K29-V58 HydrophobicContact CG-CG2 4.49Å
30H91.1Very high85.2Confident56 Ų56107 Ų10726%0.25958%0.58SS.*EExtended strand (participates in β ladder)trans-61.3128.4172.4-74.8-69.2000110.5F32 L34 F52 Y55H30-F32 PolarHBondContact O-N 3.15Å; H30-L34 HydrophobicContact CB-CG 4.35Å; H30-L34 WeakPolarHBondContact NE2-CD1 3.38Å; H30-F52 PolarHBondContact CE1-O 3.21Å; H30-Y55 AromaticContact CE1-CE1 3.18Å; H30-Y55 WeakPolarHBondContact CE1-CE1 3.37Å; H30-Y55 AromaticContact CE1-CZ 3.49Å; H30-Y55 VanDerWaalsContact CE1-CZ 3.49Å; H30-Y55 PolarHBondContact CE1-OH 2.97Å; H30-Y55 AromaticContact ND1-CD1 3.83Å; H30-Y55 AromaticContact ND1-CE1 3.36Å; H30-Y55 WeakPolarHBondContact ND1-CE1 3.44Å; H30-Y55 AromaticContact ND1-CZ 3.89Å; H30-Y55 AromaticContact NE2-CE1 3.76Å
31A91.9Very high86.8Confident46 Ų46108.6 Ų108.638%0.3858%0.575SS.*SBendtrans-65.3-29.1179.500000112.1K29 C54K29-A31 PolarHBondContact O-N 3.33Å; A31-C54 HydrophobicContact CB-CB 4.23Å; A31-C54 PolarHBondContact N-O 2.96Å
32F90.8Very high88.2Confident109 Ų109106.4 Ų106.448%0.47857%0.572SS.*SBendtrans-114.6143179.4-58.1-74.8000111.2H30 L34 I51 C54H30-F32 PolarHBondContact O-N 3.15Å; F32-L34 PolarHBondContact O-N 3.26Å; F32-I51 HydrophobicContact CB-CG2 3.68Å; F32-I51 HydrophobicContact CD2-CG2 3.74Å; F32-I51 HydrophobicContact CG-CG2 3.92Å; F32-C54 HydrophobicContact CD2-CB 3.87Å; F32-C54 HydrophobicContact CE2-CB 3.81Å
33P88.9Confident89.2Confident130 Ų130105 Ų10584%0.84457%0.573SS**PPolyproline II helixtrans-64.9121.4175.927-33.3000110.1
34L88Confident90Very high59 Ų5999.5 Ų99.531%0.30955%0.553SS.*PPolyproline II helixtrans-88.3147.2177.6-59.4-168.6000111H30 F32 V36 I51 F52H30-L34 HydrophobicContact CB-CG 4.35Å; H30-L34 WeakPolarHBondContact NE2-CD1 3.38Å; F32-L34 PolarHBondContact O-N 3.26Å; L34-V36 PolarHBondContact O-N 3.01Å; L34-I51 HydrophobicContact CD2-CG2 4.41Å; L34-F52 HydrophobicContact CD1-CD1 4.13Å; L34-F52 HydrophobicContact CD2-CD1 3.45Å; L34-F52 VanDerWaalsContact CD2-CD1 3.45Å; L34-F52 HydrophobicContact CD2-CE1 3.81Å; L34-F52 HydrophobicContact CG-CD1 4.41Å
35P86.5Confident90.3Very high74 Ų7499.3 Ų99.348%0.48155%0.55SS.*PPolyproline II helixtrans-62.1136.8172.927.1-33.9000110.1T37P35-T37 PolarHBondContact O-N 3.42Å
36V88.4Confident90.2Very high135 Ų13598 Ų9882%0.81854%0.543SS*.PPolyproline II helixtrans-60.1132.8-180-177.70000109.8L34 P38L34-V36 PolarHBondContact O-N 3.01Å; V36-P38 WeakPolarHBondContact O-CD 3.48Å
37T90.4Very high90.2Very high54 Ų54100.3 Ų100.333%0.33155%0.552SS.*PPolyproline II helixtrans-74.8123.3173.4-60.30000108.4P35 R41 S42P35-T37 PolarHBondContact O-N 3.42Å; T37-R41 HydrophobicContact CG2-CB 4.19Å; T37-S42 WeakPolarHBondContact CG2-O 3.36Å
38P91.2Very high90.1Very high63 Ų63101.2 Ų101.241%0.40955%0.552SS.*PPolyproline II helixtrans-56.4144.1178-24.934000111.5V36 G40 R41V36-P38 WeakPolarHBondContact O-CD 3.48Å; P38-G40 PolarHBondContact O-N 3.36Å; P38-R41 HydrophobicContact CB-CG 4.39Å; P38-R41 PolarHBondContact O-N 3.16Å; P38-R41 VanDerWaalsContact O-N 3.1Å
39P93.2Very high89.9Confident133 Ų133102.1 Ų102.186%0.86455%0.552SS**THydrogen-bonded Turntrans-57.5134.9179.224.9-33.8000110.5R41P39-R41 VanDerWaalsContact C-N 3.32Å; P39-R41 PolarHBondContact O-N 2.92Å
40G93.9Very high89.7Confident90 Ų90104.3 Ų104.393%0.92856%0.561SS**THydrogen-bonded Turntrans82.3-3-178.800000115.6P38P38-G40 PolarHBondContact O-N 3.36Å
41R89.6Confident89.6Confident193 Ų193105.8 Ų105.873%0.72857%0.57SS**SBendtrans-94.9150.7169.1-67.1-154.8-178.8-165.12.8111.6T37 P38 P39T37-R41 HydrophobicContact CG2-CB 4.19Å; P38-R41 HydrophobicContact CB-CG 4.39Å; P38-R41 PolarHBondContact O-N 3.16Å; P38-R41 VanDerWaalsContact O-N 3.1Å; P39-R41 VanDerWaalsContact C-N 3.32Å; P39-R41 PolarHBondContact O-N 2.92Å
42S89.8Confident89.5Confident107 Ų107104.3 Ų104.375%0.74856%0.555SS**PPolyproline II helixtrans-66146.3170.751.80000110.8T37 R44T37-S42 WeakPolarHBondContact CG2-O 3.36Å; S42-R44 PolarHBondContact O-N 3.46Å
43Q86.8Confident89.5Confident149 Ų149104.3 Ų104.370%0.69656%0.557SS**PPolyproline II helixtrans-59.7137.5170.4-175174-6.600109.4
44R87.2Confident89.6Confident111 Ų111100.4 Ų100.442%0.41953%0.532SS..PPolyproline II helixtrans-63142.6177.7-66.3-172.4-162.1-174.26.7110.7S42 E48 F52S42-R44 PolarHBondContact O-N 3.46Å; R44-E48 WeakPolarHBondContact CB-OE2 3.46Å; R44-E48 WeakPolarHBondContact CD-OE2 3.18Å; R44-E48 IonicContact NH1-OE1 3.57Å; R44-F52 HydrophobicContact CB-CE2 4.17Å
45P90Very high89.9Confident44 Ų44102.6 Ų102.629%0.28654%0.537SS..PPolyproline II helixtrans-68.3142.5-17924.8-30000111.6W47 E48P45-W47 HydrophobicContact CB-CD2 3.6Å; P45-W47 HydrophobicContact CB-CE3 3.93Å; P45-W47 HydrophobicContact CB-CG 4.24Å; P45-W47 HydrophobicContact CB-CH2 3.67Å; P45-W47 HydrophobicContact CB-CZ2 3.32Å; P45-W47 HydrophobicContact CB-CZ3 3.95Å; P45-W47 HydrophobicContact CG-CD2 4.5Å; P45-W47 HydrophobicContact CG-CZ2 4.11Å; P45-W47 PolarHBondContact O-N 2.96Å; P45-W47 VanDerWaalsContact O-N 3.13Å; P45-E48 HydrophobicContact CG-CB 4.26Å; P45-E48 WeakPolarHBondContact O-CB 3.25Å; P45-E48 PolarHBondContact O-N 3.49Å; P45-E48 VanDerWaalsContact O-N 3.08Å
46P87Confident90.3Very high57 Ų57104.8 Ų104.837%0.3754%0.54SS..G310 helixtrans-60.4-24.9179.9-24.433.6000114.1E48 Q53P46-E48 VanDerWaalsContact C-N 3.3Å; P46-E48 PolarHBondContact O-N 3.24Å; P46-Q53 HydrophobicContact CB-CG 4.4Å; P46-Q53 VanDerWaalsContact O-CG 3.25Å; P46-Q53 WeakPolarHBondContact O-CG 3.34Å; P46-Q53 PolarHBondContact O-NE2 3.13Å
47W90.2Very high90.5Very high207 Ų207103.9 Ų103.978%0.78453%0.53SS*.G310 helixtrans-77.9-8.5178.858.484000114.4P45P45-W47 HydrophobicContact CB-CD2 3.6Å; P45-W47 HydrophobicContact CB-CE3 3.93Å; P45-W47 HydrophobicContact CB-CG 4.24Å; P45-W47 HydrophobicContact CB-CH2 3.67Å; P45-W47 HydrophobicContact CB-CZ2 3.32Å; P45-W47 HydrophobicContact CB-CZ3 3.95Å; P45-W47 HydrophobicContact CG-CD2 4.5Å; P45-W47 HydrophobicContact CG-CZ2 4.11Å; P45-W47 PolarHBondContact O-N 2.96Å; P45-W47 VanDerWaalsContact O-N 3.13Å
48E90.6Very high90.6Very high88 Ų88105.2 Ų105.241%0.41154%0.538SS..G310 helixtrans-64.1-41179-171.5-171.4134.800112.2R44 P45 P46 F52R44-E48 WeakPolarHBondContact CB-OE2 3.46Å; R44-E48 WeakPolarHBondContact CD-OE2 3.18Å; R44-E48 IonicContact NH1-OE1 3.57Å; P45-E48 HydrophobicContact CG-CB 4.26Å; P45-E48 WeakPolarHBondContact O-CB 3.25Å; P45-E48 PolarHBondContact O-N 3.49Å; P45-E48 VanDerWaalsContact O-N 3.08Å; P46-E48 VanDerWaalsContact C-N 3.3Å; P46-E48 PolarHBondContact O-N 3.24Å; E48-F52 HydrophobicContact CB-CD2 4.16Å; E48-F52 HydrophobicContact CB-CE2 3.98Å; E48-F52 HydrophobicContact CG-CE2 4.37Å
49K88.3Confident90.6Very high107 Ų107106.2 Ų106.247%0.46554%0.537SS..  trans-142.7140.4-178.9-62-170.9-178.1-173.30111.2I51 F52K49-I51 PolarHBondContact O-N 2.94Å; K49-F52 HydrophobicContact CB-CD1 4.27Å; K49-F52 HydrophobicContact CB-CD2 3.94Å; K49-F52 HydrophobicContact CB-CE1 4.31Å; K49-F52 HydrophobicContact CB-CE2 3.98Å; K49-F52 HydrophobicContact CB-CG 4.1Å; K49-F52 HydrophobicContact CB-CZ 4.18Å; K49-F52 HydrophobicContact CD-CE1 4.28Å; K49-F52 HydrophobicContact CD-CE2 4.26Å; K49-F52 HydrophobicContact CD-CZ 3.87Å; K49-F52 HydrophobicContact CG-CD2 4.46Å; K49-F52 HydrophobicContact CG-CE2 4.02Å; K49-F52 HydrophobicContact CG-CZ 4.13Å; K49-F52 WeakPolarHBondContact O-CB 3.28Å; K49-F52 PolarHBondContact O-N 2.87Å
50K89.6Confident90.4Very high179 Ų179100.8 Ų100.878%0.77850%0.502SS*.G310 helixtrans-55.5-35.3176.1-67.9-174.8178.1-178.20113.1F52 Q53 C54K50-F52 PolarHBondContact O-N 3.13Å; K50-Q53 WeakPolarHBondContact O-CB 3.21Å; K50-Q53 PolarHBondContact O-N 3.08Å; K50-C54 PolarHBondContact O-SG 3.3Å
51I88.9Confident90Very high86 Ų86100.3 Ų100.344%0.44148%0.478SS..G310 helixtrans-58.8-31.6178.3-55.8172.4000111.3F32 L34 K49 Q53 C54F32-I51 HydrophobicContact CB-CG2 3.68Å; F32-I51 HydrophobicContact CD2-CG2 3.74Å; F32-I51 HydrophobicContact CG-CG2 3.92Å; L34-I51 HydrophobicContact CD2-CG2 4.41Å; K49-I51 PolarHBondContact O-N 2.94Å; I51-Q53 PolarHBondContact O-N 3.01Å; I51-C54 PolarHBondContact O-N 3.1Å
52F89.3Confident89.6Confident16 Ų1696.9 Ų96.97%0.0747%0.471CS..G310 helixtrans-73.4-11.1178.6-56.4-16000112.8H30 L34 R44 E48 K49 K50 Y55H30-F52 PolarHBondContact CE1-O 3.21Å; L34-F52 HydrophobicContact CD1-CD1 4.13Å; L34-F52 HydrophobicContact CD2-CD1 3.45Å; L34-F52 VanDerWaalsContact CD2-CD1 3.45Å; L34-F52 HydrophobicContact CD2-CE1 3.81Å; L34-F52 HydrophobicContact CG-CD1 4.41Å; R44-F52 HydrophobicContact CB-CE2 4.17Å; E48-F52 HydrophobicContact CB-CD2 4.16Å; E48-F52 HydrophobicContact CB-CE2 3.98Å; E48-F52 HydrophobicContact CG-CE2 4.37Å; K49-F52 HydrophobicContact CB-CD1 4.27Å; K49-F52 HydrophobicContact CB-CD2 3.94Å; K49-F52 HydrophobicContact CB-CE1 4.31Å; K49-F52 HydrophobicContact CB-CE2 3.98Å; K49-F52 HydrophobicContact CB-CG 4.1Å; K49-F52 HydrophobicContact CB-CZ 4.18Å; K49-F52 HydrophobicContact CD-CE1 4.28Å; K49-F52 HydrophobicContact CD-CE2 4.26Å; K49-F52 HydrophobicContact CD-CZ 3.87Å; K49-F52 HydrophobicContact CG-CD2 4.46Å; K49-F52 HydrophobicContact CG-CE2 4.02Å; K49-F52 HydrophobicContact CG-CZ 4.13Å; K49-F52 WeakPolarHBondContact O-CB 3.28Å; K49-F52 PolarHBondContact O-N 2.87Å; K50-F52 PolarHBondContact O-N 3.13Å; F52-Y55 PolarHBondContact O-OH 3.04Å
53Q91.5Very high89.2Confident109 Ų10997.3 Ų97.351%0.50947%0.465SS..G310 helixtrans-104.60.9179.9-58.5173.328.100112.4P46 K50 I51 Y55P46-Q53 HydrophobicContact CB-CG 4.4Å; P46-Q53 VanDerWaalsContact O-CG 3.25Å; P46-Q53 WeakPolarHBondContact O-CG 3.34Å; P46-Q53 PolarHBondContact O-NE2 3.13Å; K50-Q53 WeakPolarHBondContact O-CB 3.21Å; K50-Q53 PolarHBondContact O-N 3.08Å; I51-Q53 PolarHBondContact O-N 3.01Å; Q53-Y55 VanDerWaalsContact O-CD2 3.28Å; Q53-Y55 WeakPolarHBondContact O-CD2 3.43Å
54C91.6Very high89Confident48 Ų4896 Ų9632%0.32445%0.454SS..  trans-88.9115.7177.5-62.50000109.8A31 F32 K50 I51A31-C54 HydrophobicContact CB-CB 4.23Å; A31-C54 PolarHBondContact N-O 2.96Å; F32-C54 HydrophobicContact CD2-CB 3.87Å; F32-C54 HydrophobicContact CE2-CB 3.81Å; K50-C54 PolarHBondContact O-SG 3.3Å; I51-C54 PolarHBondContact O-N 3.1Å
55Y93.9Very high88.9Confident105 Ų10597.5 Ų97.541%0.41248%0.475SS..EExtended strand (participates in β ladder)trans-122148-179.9-61.6-81.7000111.2L28 K29 H30 F52 Q53L28-Y55 HydrophobicContact CB-CD1 4.02Å; L28-Y55 HydrophobicContact CB-CG 4.23Å; L28-Y55 HydrophobicContact CD1-CD2 4.5Å; L28-Y55 HydrophobicContact CD1-CG 4.15Å; K29-Y55 CarbonylContact O-C 3.51Å; K29-Y55 VanDerWaalsContact O-CA 3.27Å; K29-Y55 WeakPolarHBondContact O-CA 3.34Å; H30-Y55 AromaticContact CE1-CE1 3.18Å; H30-Y55 WeakPolarHBondContact CE1-CE1 3.37Å; H30-Y55 AromaticContact CE1-CZ 3.49Å; H30-Y55 VanDerWaalsContact CE1-CZ 3.49Å; H30-Y55 PolarHBondContact CE1-OH 2.97Å; H30-Y55 AromaticContact ND1-CD1 3.83Å; H30-Y55 AromaticContact ND1-CE1 3.36Å; H30-Y55 WeakPolarHBondContact ND1-CE1 3.44Å; H30-Y55 AromaticContact ND1-CZ 3.89Å; H30-Y55 AromaticContact NE2-CE1 3.76Å; F52-Y55 PolarHBondContact O-OH 3.04Å; Q53-Y55 VanDerWaalsContact O-CD2 3.28Å; Q53-Y55 WeakPolarHBondContact O-CD2 3.43Å
56E94.1Very high88.7Confident119 Ų119100.7 Ų100.756%0.55649%0.489SS*.EExtended strand (participates in β ladder)trans-110.4140.3168.8-174.2177.8-170.500108.3L28 K29 V58L28-E56 WeakPolarHBondContact CA-O 3.14Å; K29-E56 PolarHBondContact N-O 3.43Å; K29-E56 PolarHBondContact O-N 3.23Å; E56-V58 PolarHBondContact O-N 3.34Å
57I93.8Very high88.9Confident117 Ų117102.5 Ų102.560%0.650%0.501SS*.EExtended strand (participates in β ladder)trans-78.2121.8178.5-58.8168.6000107.7L28L28-I57 HydrophobicContact CD2-CB 4.41Å; L28-I57 HydrophobicContact CD2-CG1 3.84Å
58V92.2Very high89Confident82 Ų8296.7 Ų96.750%0.49749%0.49SS..EExtended strand (participates in β ladder)trans-93.2-49.5176.7-1750000109.8V27 K29 E56V27-V58 PolarHBondContact O-N 2.81Å; K29-V58 HydrophobicContact CB-CG2 3.33Å; K29-V58 HydrophobicContact CD-CG2 4.37Å; K29-V58 HydrophobicContact CG-CG2 4.49Å; E56-V58 PolarHBondContact O-N 3.34Å
59E91.6Very high89.2Confident84 Ų8494 Ų9439%0.39348%0.48SS..EExtended strand (participates in β ladder)trans-142.9141.6-173.3-59.2-177.3158.600109.2V27 Y64V27-E59 HydrophobicContact CB-CB 4.01Å; V27-E59 HydrophobicContact CG2-CB 4.16Å; V27-E59 PolarHBondContact N-O 2.92Å; V27-E59 PolarHBondContact O-N 3.37Å; E59-Y64 HydrophobicContact CB-CE2 3.92Å; E59-Y64 HydrophobicContact CG-CE2 4.42Å; E59-Y64 WeakPolarHBondContact CG-OH 3.49Å; E59-Y64 PolarHBondContact OE1-OH 2.78Å; E59-Y64 PolarHBondContact OE2-OH 3.3Å
60S87.9Confident89.4Confident19 Ų1990.8 Ų90.813%0.13347%0.473CS..EExtended strand (participates in β ladder)trans-120.2143.9172.585.70000110.2E62 D63 Y64S60-E62 PolarHBondContact O-N 3.38Å; S60-D63 WeakPolarHBondContact CB-OD2 3.48Å; S60-D63 PolarHBondContact N-OD2 2.9Å; S60-D63 PolarHBondContact O-N 3.29Å; S60-D63 VanDerWaalsContact O-N 3.09Å; S60-D63 VanDerWaalsContact OG-CG 3.24Å; S60-D63 PolarHBondContact OG-OD2 2.97Å; S60-Y64 VanDerWaalsContact O-CD2 3.23Å; S60-Y64 WeakPolarHBondContact O-CD2 3.48Å; S60-Y64 WeakPolarHBondContact O-CE2 3.28Å
61D85.2Confident89.7Confident79 Ų7982.2 Ų82.242%0.42244%0.436SS..THydrogen-bonded Turntrans-56.2-22.5176.7-84.7-0.7000113.4T25 D63T25-D61 WeakPolarHBondContact CA-OD2 3.32Å; T25-D61 VanDerWaalsContact CB-CG 3.45Å; T25-D61 WeakPolarHBondContact CB-OD1 3.27Å; T25-D61 WeakPolarHBondContact CB-OD2 3.37Å; T25-D61 PolarHBondContact N-OD2 3.01Å; T25-D61 PolarHBondContact O-N 3.4Å; T25-D61 VanDerWaalsContact O-N 3.13Å; T25-D61 PolarHBondContact OG1-OD2 3.47Å; D61-D63 VanDerWaalsContact C-N 3.29Å; D61-D63 PolarHBondContact O-N 3.46Å
62E82.3Confident89.9Confident121 Ų12178.1 Ų78.157%0.56542%0.415SS*.THydrogen-bonded Turntrans-73.3-23.5-178.4-54.3-159.3131.400112.8R22 S60 Y64R22-E62 IonicContact CZ-OE1 3.11Å; R22-E62 IonicContact NH1-OE1 2.72Å; R22-E62 PolarHBondContact NH1-OE1 3.3Å; R22-E62 IonicContact NH2-OE1 2.88Å; R22-E62 PolarHBondContact NH2-OE1 3.18Å; S60-E62 PolarHBondContact O-N 3.38Å; E62-Y64 VanDerWaalsContact C-N 3.33Å
63D81.1Confident90.1Very high117 Ų11777.4 Ų77.463%0.62641%0.411SS*.THydrogen-bonded Turntrans-79.4-19.5-178.1-57.5-47.9000112.1S60 D61S60-D63 WeakPolarHBondContact CB-OD2 3.48Å; S60-D63 PolarHBondContact N-OD2 2.9Å; S60-D63 PolarHBondContact O-N 3.29Å; S60-D63 VanDerWaalsContact O-N 3.09Å; S60-D63 VanDerWaalsContact OG-CG 3.24Å; S60-D63 PolarHBondContact OG-OD2 2.97Å; D61-D63 VanDerWaalsContact C-N 3.29Å; D61-D63 PolarHBondContact O-N 3.46Å
64Y82.7Confident90.2Very high122 Ų12275 Ų7548%0.47840%0.402SS..PPolyproline II helixtrans-97.4117.2-174.3-64-88.3000112.3E59 S60 E62 L66E59-Y64 HydrophobicContact CB-CE2 3.92Å; E59-Y64 HydrophobicContact CG-CE2 4.42Å; E59-Y64 WeakPolarHBondContact CG-OH 3.49Å; E59-Y64 PolarHBondContact OE1-OH 2.78Å; E59-Y64 PolarHBondContact OE2-OH 3.3Å; S60-Y64 VanDerWaalsContact O-CD2 3.23Å; S60-Y64 WeakPolarHBondContact O-CD2 3.48Å; S60-Y64 WeakPolarHBondContact O-CE2 3.28Å; E62-Y64 VanDerWaalsContact C-N 3.33Å; Y64-L66 PolarHBondContact O-N 3.05Å
65V84.5Confident90.3Very high141 Ų14175.2 Ų75.286%0.85540%0.403SS*.PPolyproline II helixtrans-78.1118.5163.1-176.40000108.2
66L86.8Confident90.1Very high111 Ų11175.6 Ų75.658%0.58141%0.412SS*.PPolyproline II helixtrans-61.1134.3177.5-67.1173.4000110.2Y64Y64-L66 PolarHBondContact O-N 3.05Å
67P90.9Very high89.8Confident96 Ų9670.9 Ų70.962%0.62339%0.391SS*.PPolyproline II helixtrans-65.6151.7176.228.2-34.3000110.5
68P93Very high89.3Confident85 Ų8570.3 Ų70.355%0.55239%0.386SS*.PPolyproline II helixtrans-62.9143.6174.727.8-34.1000110.6E88 V89P68-E88 HydrophobicContact CB-CB 4.39Å; P68-V89 CarbonylContact C-O 3.55Å; P68-V89 WeakPolarHBondContact CA-O 3.38Å
69V93.7Very high88.8Confident32 Ų3267.9 Ų67.919%0.19438%0.378CS..EExtended strand (participates in β ladder)trans-95.3127.7-179.1-178.90000109.2L71 V89 A94 Y106V69-L71 HydrophobicContact CG1-CD2 3.87Å; V69-L71 HydrophobicContact CG1-CG 4.33Å; V69-V89 PolarHBondContact N-O 3.31Å; V69-V89 PolarHBondContact O-N 3.32Å; V69-V89 VanDerWaalsContact O-N 3.11Å; V69-A94 HydrophobicContact CB-CB 4.18Å; V69-A94 HydrophobicContact CG1-CB 4.46Å; V69-Y106 HydrophobicContact CG1-CD1 3.86Å; V69-Y106 HydrophobicContact CG1-CE1 3.73Å
70A93.4Very high88.4Confident38 Ų3866.7 Ų66.731%0.31437%0.37SS..EExtended strand (participates in β ladder)trans-82124.9173.700000111I87 A107A70-I87 CarbonylContact C-O 3.57Å; A70-I87 WeakPolarHBondContact CA-O 3.33Å; A70-A107 HydrophobicContact CB-CB 3.84Å; A70-A107 WeakPolarHBondContact O-CB 3.46Å; A70-A107 PolarHBondContact O-N 3.48Å
71L94.6Very high88.3Confident0 Ų066 Ų660%037%0.367CS..EExtended strand (participates in β ladder)trans-125.6149.4-179.2-59179.2000111.1V69 V86 I87 V89 A94 F98 L99 A104 V105 Y106V69-L71 HydrophobicContact CG1-CD2 3.87Å; V69-L71 HydrophobicContact CG1-CG 4.33Å; L71-V86 CarbonylContact O-C 3.24Å; L71-V86 WeakPolarHBondContact O-CA 3.36Å; L71-I87 HydrophobicContact CB-CG1 4.09Å; L71-I87 PolarHBondContact N-O 3Å; L71-I87 PolarHBondContact O-N 2.91Å; L71-V89 HydrophobicContact CD1-CG2 3.65Å; L71-V89 HydrophobicContact CG-CG2 4.24Å; L71-A94 HydrophobicContact CD1-CB 3.88Å; L71-F98 HydrophobicContact CD1-CB 3.83Å; L71-F98 HydrophobicContact CD1-CD2 4.13Å; L71-F98 HydrophobicContact CD1-CG 4.04Å; L71-L99 HydrophobicContact CD2-CD1 4.37Å; L71-L99 HydrophobicContact CD2-CD2 4.01Å; L71-L99 HydrophobicContact CD2-CG 4.27Å; L71-A104 HydrophobicContact CB-CB 4.05Å; L71-A104 HydrophobicContact CD1-CB 4.15Å; L71-V105 CarbonylContact C-O 3.42Å; L71-V105 WeakPolarHBondContact CA-O 3.28Å; L71-Y106 HydrophobicContact CD2-CD1 4.01Å; L71-Y106 HydrophobicContact CD2-CE1 4.44Å
72I93.9Very high88.4Confident0 Ų068.3 Ų68.30%037%0.37CS..EExtended strand (participates in β ladder)trans-100.9121.2168.9-65.4160.5000107.5V86 A104 V105 A107 N111 Y115 I117I72-V86 HydrophobicContact CG1-CG2 4.27Å; I72-A104 CarbonylContact O-C 3.59Å; I72-A104 WeakPolarHBondContact O-CA 3.42Å; I72-A104 VanDerWaalsContact O-CB 3.27Å; I72-A104 WeakPolarHBondContact O-CB 3.31Å; I72-V105 PolarHBondContact N-O 3.09Å; I72-V105 PolarHBondContact O-N 2.62Å; I72-A107 HydrophobicContact CD1-CB 4.36Å; I72-A107 HydrophobicContact CG1-CB 4.14Å; I72-N111 HydrophobicContact CD1-CB 4.02Å; I72-Y115 HydrophobicContact CG2-CD2 4.46Å; I72-I117 HydrophobicContact CB-CD1 4.13Å; I72-I117 HydrophobicContact CD1-CD1 3.59Å; I72-I117 HydrophobicContact CG1-CD1 3.64Å; I72-I117 HydrophobicContact CG2-CD1 3.35Å
73L93.7Very high88.7Confident0 Ų064 Ų640%036%0.355CS..EExtended strand (participates in β ladder)trans-71.3137.4175.6-68.5178.6000111.2V77 R82 F84 D85 I87 F98 A104L73-V77 HydrophobicContact CD2-CG2 3.99Å; L73-R82 WeakPolarHBondContact CB-O 3.47Å; L73-R82 WeakPolarHBondContact CD1-O 3.34Å; L73-F84 VanDerWaalsContact O-CA 3.31Å; L73-F84 WeakPolarHBondContact O-CA 3.32Å; L73-F84 PolarHBondContact O-N 3.41Å; L73-D85 PolarHBondContact N-O 3.13Å; L73-I87 HydrophobicContact CD1-CD1 4.29Å; L73-I87 HydrophobicContact CD1-CG2 4.01Å; L73-I87 HydrophobicContact CD2-CD1 3.65Å; L73-I87 HydrophobicContact CD2-CG1 4.35Å; L73-I87 HydrophobicContact CG-CD1 4.03Å; L73-I87 HydrophobicContact CG-CG1 4.29Å; L73-I87 HydrophobicContact CG-CG2 4.36Å; L73-F98 HydrophobicContact CD2-CD1 3.93Å; L73-F98 HydrophobicContact CD2-CE1 3.75Å; L73-A104 HydrophobicContact CD2-CB 4.03Å
74L94.3Very high89.1Confident59 Ų5962.9 Ų62.931%0.30934%0.344SS..SBendtrans-96.3-24.6173-63.5-178.1000112.6K103 V105 Y115L74-K103 WeakPolarHBondContact CB-O 3.23Å; L74-K103 PolarHBondContact N-O 3.41Å; L74-V105 HydrophobicContact CD1-CG2 3.6Å; L74-V105 HydrophobicContact CD2-CG2 3.82Å; L74-V105 HydrophobicContact CG-CG2 3.81Å; L74-Y115 HydrophobicContact CD2-CD1 4.5Å; L74-Y115 HydrophobicContact CD2-CE1 3.72Å; L74-Y115 HydrophobicContact CD2-CE2 4.02Å; L74-Y115 VanDerWaalsContact CD2-CZ 3.46Å; L74-Y115 WeakPolarHBondContact CD2-OH 3.36Å
75C92.4Very high89.4Confident52 Ų5258.6 Ų58.635%0.35133%0.33SS..SBendtrans-133.1163177.557.10000110.3V77C75-V77 PolarHBondContact O-N 3.06Å
76D90.3Very high89.7Confident113 Ų11352.5 Ų52.560%0.60429%0.293SS*.  trans-66.7126172.3-62.6-26000109.3R82 A83D76-R82 WeakPolarHBondContact OD1-CA 3.14Å; D76-R82 WeakPolarHBondContact OD1-CB 3.47Å; D76-A83 PolarHBondContact OD1-N 3.05Å
77V87.9Confident89.9Confident20 Ų2047.9 Ų47.912%0.12127%0.269CS..BIsolated β-bridgetrans-122.5117.6-179.8-170.70000109.9L73 C75 G79 Y80 G81 F98 K103L73-V77 HydrophobicContact CD2-CG2 3.99Å; C75-V77 PolarHBondContact O-N 3.06Å; V77-G79 PolarHBondContact O-N 3.32Å; V77-Y80 HydrophobicContact CB-CD2 4.42Å; V77-Y80 HydrophobicContact CG1-CD2 3.72Å; V77-Y80 HydrophobicContact CG1-CE2 4.39Å; V77-Y80 PolarHBondContact O-N 2.96Å; V77-G81 PolarHBondContact N-O 2.77Å; V77-G81 PolarHBondContact O-N 3.03Å; V77-F98 HydrophobicContact CB-CE1 4.39Å; V77-F98 HydrophobicContact CG1-CE1 4.07Å; V77-F98 HydrophobicContact CG2-CE1 4.24Å; V77-K103 HydrophobicContact CG2-CD 4.48Å
78E82.4Confident90Very high105 Ų10548.1 Ų48.149%0.49126%0.261SS..THydrogen-bonded Turntrans-57.3132.1172.2-169.6-174.4173.200109.8K135E78-K135 HydrophobicContact CG-CG 4.28Å; E78-K135 WeakPolarHBondContact OE1-CG 3.43Å
79G81.6Confident89.9Confident32 Ų3244.7 Ų44.733%0.3324%0.239SC..THydrogen-bonded Turntrans95.7-22.8-17200000115.7V77 T131V77-G79 PolarHBondContact O-N 3.32Å; G79-T131 WeakPolarHBondContact O-CG2 3.3Å
80Y84.6Confident89.9Confident58 Ų5846.8 Ų46.823%0.22725%0.249CC..THydrogen-bonded Turntrans-126.8-53-166.3-61.6-88.8000115.1V77 I87 V89 I93 E97 F98V77-Y80 HydrophobicContact CB-CD2 4.42Å; V77-Y80 HydrophobicContact CG1-CD2 3.72Å; V77-Y80 HydrophobicContact CG1-CE2 4.39Å; V77-Y80 PolarHBondContact O-N 2.96Å; Y80-I87 HydrophobicContact CD1-CD1 4.13Å; Y80-I87 HydrophobicContact CG-CD1 4.38Å; Y80-V89 HydrophobicContact CD1-CG1 3.86Å; Y80-V89 HydrophobicContact CE1-CG1 3.71Å; Y80-I93 VanDerWaalsContact OH-CG2 3.3Å; Y80-I93 WeakPolarHBondContact OH-CG2 3.48Å; Y80-E97 PolarHBondContact OH-OE2 3.45Å; Y80-F98 HydrophobicContact CD1-CE2 4.19Å; Y80-F98 AromaticContact CD1-CZ 3.56Å; Y80-F98 HydrophobicContact CD1-CZ 3.56Å; Y80-F98 HydrophobicContact CD2-CE1 4.14Å; Y80-F98 AromaticContact CD2-CZ 3.52Å; Y80-F98 HydrophobicContact CD2-CZ 3.52Å; Y80-F98 AromaticContact CE1-CE2 3.81Å; Y80-F98 HydrophobicContact CE1-CE2 3.81Å; Y80-F98 AromaticContact CE1-CZ 3.56Å; Y80-F98 HydrophobicContact CE1-CZ 3.56Å; Y80-F98 HydrophobicContact CE2-CE1 4.39Å; Y80-F98 HydrophobicContact CE2-CE2 4.17Å; Y80-F98 AromaticContact CE2-CZ 3.5Å; Y80-F98 HydrophobicContact CE2-CZ 3.5Å; Y80-F98 VanDerWaalsContact CE2-CZ 3.5Å; Y80-F98 HydrophobicContact CG-CE1 4.18Å; Y80-F98 AromaticContact CG-CZ 3.52Å; Y80-F98 HydrophobicContact CG-CZ 3.52Å; Y80-F98 AromaticContact CZ-CE2 3.76Å; Y80-F98 AromaticContact CZ-CZ 3.5Å
81G85.9Confident89.9Confident6 Ų647 Ų476%0.06225%0.248CC..BIsolated β-bridgetrans166.4-174.2-177.300000114.4V77V77-G81 PolarHBondContact N-O 2.77Å; V77-G81 PolarHBondContact O-N 3.03Å
82R85.7Confident89.8Confident127 Ų12754.2 Ų54.248%0.47928%0.279SS..  trans-88.3164.3176.4-73.1-175.5173.8153.39.3111.6L73 D76 F84 D85 L130L73-R82 WeakPolarHBondContact CB-O 3.47Å; L73-R82 WeakPolarHBondContact CD1-O 3.34Å; D76-R82 WeakPolarHBondContact OD1-CA 3.14Å; D76-R82 WeakPolarHBondContact OD1-CB 3.47Å; R82-F84 PolarHBondContact O-N 2.92Å; R82-D85 PolarHBondContact N-OD2 3.13Å; R82-D85 VanDerWaalsContact O-CB 3.3Å; R82-D85 WeakPolarHBondContact O-CB 3.3Å; R82-D85 PolarHBondContact O-N 3.49Å; R82-D85 VanDerWaalsContact O-N 3.12Å; R82-L130 HydrophobicContact CG-CD1 3.93Å; R82-L130 VanDerWaalsContact NE-CD1 3.29Å; R82-L130 VanDerWaalsContact NH2-CD2 3.25Å
83A89.4Confident89.8Confident30 Ų3057 Ų5725%0.24829%0.294CS..THydrogen-bonded Turntrans-53.6137.2171.200000110.4D76 D85D76-A83 PolarHBondContact OD1-N 3.05Å; A83-D85 PolarHBondContact O-N 3.44Å
84F90.1Very high89.9Confident94 Ų9457.1 Ų57.141%0.41229%0.294SS..THydrogen-bonded Turntrans68.38.6-176-48.9-73.7000116.2L73 R82 Y115L73-F84 VanDerWaalsContact O-CA 3.31Å; L73-F84 WeakPolarHBondContact O-CA 3.32Å; L73-F84 PolarHBondContact O-N 3.41Å; R82-F84 PolarHBondContact O-N 2.92Å; F84-Y115 HydrophobicContact CD1-CD1 4.29Å; F84-Y115 HydrophobicContact CD1-CG 4.44Å; F84-Y115 AromaticContact CE1-CD1 3.69Å; F84-Y115 HydrophobicContact CE1-CD1 3.69Å; F84-Y115 HydrophobicContact CE1-CE1 4.33Å; F84-Y115 HydrophobicContact CE1-CG 4.28Å
85D88.8Confident89.8Confident31 Ų3159.1 Ų59.117%0.16630%0.302CS..  trans-76.4149.9167.1-72.7-17.1000111.2L73 R82 A83L73-D85 PolarHBondContact N-O 3.13Å; R82-D85 PolarHBondContact N-OD2 3.13Å; R82-D85 VanDerWaalsContact O-CB 3.3Å; R82-D85 WeakPolarHBondContact O-CB 3.3Å; R82-D85 PolarHBondContact O-N 3.49Å; R82-D85 VanDerWaalsContact O-N 3.12Å; A83-D85 PolarHBondContact O-N 3.44Å
86V91.1Very high90Very high14 Ų1461.5 Ų61.59%0.08531%0.311CS..EExtended strand (participates in β ladder)trans-96.8123.5173.4-175.60000109.5L71 I72 I117 M122 G126L71-V86 CarbonylContact O-C 3.24Å; L71-V86 WeakPolarHBondContact O-CA 3.36Å; I72-V86 HydrophobicContact CG1-CG2 4.27Å; V86-I117 HydrophobicContact CG2-CG2 4.4Å; V86-M122 HydrophobicContact CG2-CG 4.18Å; V86-G126 PolarHBondContact O-N 2.94Å
87I90.3Very high90.2Very high14 Ų1460.7 Ų60.77%0.07230%0.304CS..EExtended strand (participates in β ladder)trans-122149.9-179.665168.8000111A70 L71 L73 Y80 V89 F98A70-I87 CarbonylContact C-O 3.57Å; A70-I87 WeakPolarHBondContact CA-O 3.33Å; L71-I87 HydrophobicContact CB-CG1 4.09Å; L71-I87 PolarHBondContact N-O 3Å; L71-I87 PolarHBondContact O-N 2.91Å; L73-I87 HydrophobicContact CD1-CD1 4.29Å; L73-I87 HydrophobicContact CD1-CG2 4.01Å; L73-I87 HydrophobicContact CD2-CD1 3.65Å; L73-I87 HydrophobicContact CD2-CG1 4.35Å; L73-I87 HydrophobicContact CG-CD1 4.03Å; L73-I87 HydrophobicContact CG-CG1 4.29Å; L73-I87 HydrophobicContact CG-CG2 4.36Å; Y80-I87 HydrophobicContact CD1-CD1 4.13Å; Y80-I87 HydrophobicContact CG-CD1 4.38Å; I87-V89 HydrophobicContact CD1-CG1 3.95Å; I87-V89 HydrophobicContact CG1-CG1 4.44Å; I87-F98 HydrophobicContact CD1-CE1 3.98Å; I87-F98 HydrophobicContact CD1-CE2 4.44Å; I87-F98 HydrophobicContact CD1-CZ 3.89Å
88E92.6Very high90.6Very high101 Ų10159.8 Ų59.847%0.47230%0.298SS..EExtended strand (participates in β ladder)trans-111.1122172.3-67.8173.9166.400108.5P68 K125P68-E88 HydrophobicContact CB-CB 4.39Å; E88-K125 IonicContact OE1-NZ 3.8Å; E88-K125 IonicContact OE2-NZ 2.75Å; E88-K125 PolarHBondContact OE2-NZ 3.39Å
89V92.3Very high91.2Very high13 Ų1356.3 Ų56.38%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-136.7159-177.3-69.80000111.4P68 V69 L71 Y80 I87 A94 F98P68-V89 CarbonylContact C-O 3.55Å; P68-V89 WeakPolarHBondContact CA-O 3.38Å; V69-V89 PolarHBondContact N-O 3.31Å; V69-V89 PolarHBondContact O-N 3.32Å; V69-V89 VanDerWaalsContact O-N 3.11Å; L71-V89 HydrophobicContact CD1-CG2 3.65Å; L71-V89 HydrophobicContact CG-CG2 4.24Å; Y80-V89 HydrophobicContact CD1-CG1 3.86Å; Y80-V89 HydrophobicContact CE1-CG1 3.71Å; I87-V89 HydrophobicContact CD1-CG1 3.95Å; I87-V89 HydrophobicContact CG1-CG1 4.44Å; V89-A94 HydrophobicContact CG2-CB 3.86Å; V89-F98 HydrophobicContact CG1-CE2 4.2Å; V89-F98 HydrophobicContact CG2-CD2 4.45Å; V89-F98 HydrophobicContact CG2-CE2 4.39Å
90D93.6Very high91.9Very high75 Ų7560.7 Ų60.740%0.40130%0.298SS..  trans-62.3146.7173.3-179.637.3000111.2K92 I93 A94D90-K92 VanDerWaalsContact C-N 3.28Å; D90-K92 PolarHBondContact O-N 2.86Å; D90-I93 HydrophobicContact CB-CD1 4.35Å; D90-I93 HydrophobicContact CB-CG1 4.4Å; D90-I93 PolarHBondContact O-N 2.89Å; D90-I93 VanDerWaalsContact O-N 3.09Å; D90-A94 WeakPolarHBondContact O-CB 3.07Å; D90-A94 PolarHBondContact O-N 3.11Å
91S92.5Very high92.5Very high42 Ų4261 Ų6129%0.29431%0.307SS..Hα-helixtrans-58.8-37.4-174.7-176.70000112.7I93 A94 H95S91-I93 PolarHBondContact O-N 2.72Å; S91-A94 WeakPolarHBondContact O-CB 3.47Å; S91-A94 PolarHBondContact O-N 3.45Å; S91-H95 PolarHBondContact O-N 2.84Å
92K92Very high92.9Very high153 Ų15368.9 Ų68.967%0.66534%0.34SS*.Hα-helixtrans-62.5-44.2177-68.6179.3-179.4172.70111.8D90 N96D90-K92 VanDerWaalsContact C-N 3.28Å; D90-K92 PolarHBondContact O-N 2.86Å; K92-N96 WeakPolarHBondContact O-CB 3.36Å; K92-N96 PolarHBondContact O-N 2.81Å; K92-N96 VanDerWaalsContact O-N 3.12Å; K92-N96 PolarHBondContact O-ND2 2.78Å
93I94.1Very high93.4Very high58 Ų5867.1 Ų67.130%0.29734%0.336SS..Hα-helixtrans-70.3-44.9179.3-56.4178.7000109.4Y80 D90 S91 H95 N96 E97 F98Y80-I93 VanDerWaalsContact OH-CG2 3.3Å; Y80-I93 WeakPolarHBondContact OH-CG2 3.48Å; D90-I93 HydrophobicContact CB-CD1 4.35Å; D90-I93 HydrophobicContact CB-CG1 4.4Å; D90-I93 PolarHBondContact O-N 2.89Å; D90-I93 VanDerWaalsContact O-N 3.09Å; S91-I93 PolarHBondContact O-N 2.72Å; I93-H95 VanDerWaalsContact C-N 3.32Å; I93-H95 PolarHBondContact O-N 3.37Å; I93-N96 PolarHBondContact O-N 2.72Å; I93-E97 HydrophobicContact CG2-CB 4.14Å; I93-E97 HydrophobicContact CG2-CG 4.09Å; I93-E97 WeakPolarHBondContact O-CB 3.31Å; I93-E97 PolarHBondContact O-N 3.12Å; I93-F98 HydrophobicContact CG2-CD2 4.2Å; I93-F98 HydrophobicContact CG2-CE2 3.75Å
94A95.3Very high93.7Very high2 Ų265.9 Ų65.92%0.01733%0.325CS..Iπ-helixtrans-50.4-51.717600000111.7V69 L71 V89 D90 S91 F98 L99V69-A94 HydrophobicContact CB-CB 4.18Å; V69-A94 HydrophobicContact CG1-CB 4.46Å; L71-A94 HydrophobicContact CD1-CB 3.88Å; V89-A94 HydrophobicContact CG2-CB 3.86Å; D90-A94 WeakPolarHBondContact O-CB 3.07Å; D90-A94 PolarHBondContact O-N 3.11Å; S91-A94 WeakPolarHBondContact O-CB 3.47Å; S91-A94 PolarHBondContact O-N 3.45Å; A94-F98 WeakPolarHBondContact O-CB 3.27Å; A94-F98 PolarHBondContact O-N 2.75Å; A94-L99 HydrophobicContact CB-CD1 4.49Å; A94-L99 WeakPolarHBondContact O-CB 3.16Å; A94-L99 WeakPolarHBondContact O-CG 3.41Å; A94-L99 PolarHBondContact O-N 2.87Å
95H93.6Very high94Very high101 Ų10162.8 Ų62.847%0.46831%0.314SS..Iπ-helixtrans-68.5-50.2-177.7-171.9-77.1000112S91 I93 L100S91-H95 PolarHBondContact O-N 2.84Å; I93-H95 VanDerWaalsContact C-N 3.32Å; I93-H95 PolarHBondContact O-N 3.37Å; H95-L100 WeakPolarHBondContact O-CB 3.34Å; H95-L100 PolarHBondContact O-N 3.03Å
96N95.4Very high94.4Very high102 Ų10267.1 Ų67.155%0.54533%0.329SS..Iπ-helixtrans-80.5-41.6-169.2-65.4-21.9000113.5K92 I93 P101K92-N96 WeakPolarHBondContact O-CB 3.36Å; K92-N96 PolarHBondContact O-N 2.81Å; K92-N96 VanDerWaalsContact O-N 3.12Å; K92-N96 PolarHBondContact O-ND2 2.78Å; I93-N96 PolarHBondContact O-N 2.72Å; N96-P101 WeakPolarHBondContact O-CD 3.47Å
97E95Very high94.5Very high96 Ų9667.3 Ų67.345%0.44933%0.333SS..Iπ-helixtrans-94.2-24.5-173.5-64.5-168.6179.700113.9Y80 I93 P101Y80-E97 PolarHBondContact OH-OE2 3.45Å; I93-E97 HydrophobicContact CG2-CB 4.14Å; I93-E97 HydrophobicContact CG2-CG 4.09Å; I93-E97 WeakPolarHBondContact O-CB 3.31Å; I93-E97 PolarHBondContact O-N 3.12Å; E97-P101 VanDerWaalsContact C-CG 3.45Å; E97-P101 WeakPolarHBondContact O-CG 3.5Å
98F96Very high94.7Very high1 Ų169 Ų690%0.00435%0.345CS..Iπ-helixtrans-115.5-59-172.3-65.4-79.8000113.8L71 L73 V77 Y80 I87 V89 I93 A94 K102 K103 A104L71-F98 HydrophobicContact CD1-CB 3.83Å; L71-F98 HydrophobicContact CD1-CD2 4.13Å; L71-F98 HydrophobicContact CD1-CG 4.04Å; L73-F98 HydrophobicContact CD2-CD1 3.93Å; L73-F98 HydrophobicContact CD2-CE1 3.75Å; V77-F98 HydrophobicContact CB-CE1 4.39Å; V77-F98 HydrophobicContact CG1-CE1 4.07Å; V77-F98 HydrophobicContact CG2-CE1 4.24Å; Y80-F98 HydrophobicContact CD1-CE2 4.19Å; Y80-F98 AromaticContact CD1-CZ 3.56Å; Y80-F98 HydrophobicContact CD1-CZ 3.56Å; Y80-F98 HydrophobicContact CD2-CE1 4.14Å; Y80-F98 AromaticContact CD2-CZ 3.52Å; Y80-F98 HydrophobicContact CD2-CZ 3.52Å; Y80-F98 AromaticContact CE1-CE2 3.81Å; Y80-F98 HydrophobicContact CE1-CE2 3.81Å; Y80-F98 AromaticContact CE1-CZ 3.56Å; Y80-F98 HydrophobicContact CE1-CZ 3.56Å; Y80-F98 HydrophobicContact CE2-CE1 4.39Å; Y80-F98 HydrophobicContact CE2-CE2 4.17Å; Y80-F98 AromaticContact CE2-CZ 3.5Å; Y80-F98 HydrophobicContact CE2-CZ 3.5Å; Y80-F98 VanDerWaalsContact CE2-CZ 3.5Å; Y80-F98 HydrophobicContact CG-CE1 4.18Å; Y80-F98 AromaticContact CG-CZ 3.52Å; Y80-F98 HydrophobicContact CG-CZ 3.52Å; Y80-F98 AromaticContact CZ-CE2 3.76Å; Y80-F98 AromaticContact CZ-CZ 3.5Å; I87-F98 HydrophobicContact CD1-CE1 3.98Å; I87-F98 HydrophobicContact CD1-CE2 4.44Å; I87-F98 HydrophobicContact CD1-CZ 3.89Å; V89-F98 HydrophobicContact CG1-CE2 4.2Å; V89-F98 HydrophobicContact CG2-CD2 4.45Å; V89-F98 HydrophobicContact CG2-CE2 4.39Å; I93-F98 HydrophobicContact CG2-CD2 4.2Å; I93-F98 HydrophobicContact CG2-CE2 3.75Å; A94-F98 WeakPolarHBondContact O-CB 3.27Å; A94-F98 PolarHBondContact O-N 2.75Å; F98-K102 CarbonylContact O-C 3.6Å; F98-K102 WeakPolarHBondContact O-CA 3.46Å; F98-K102 PolarHBondContact O-N 3.37Å; F98-K102 VanDerWaalsContact O-N 3.1Å; F98-K103 HydrophobicContact CD1-CB 4.33Å; F98-K103 PolarHBondContact O-N 3Å; F98-A104 HydrophobicContact CB-CB 3.8Å; F98-A104 HydrophobicContact CD1-CB 4.04Å; F98-A104 HydrophobicContact CG-CB 4.28Å; F98-A104 PolarHBondContact O-N 2.75Å
99L96.1Very high94.7Very high32 Ų3270.4 Ų70.417%0.16835%0.352CS..Iπ-helixtrans-72.6-47.3-171.9-67.8168.5000111.6L71 A94 K102 Y106L71-L99 HydrophobicContact CD2-CD1 4.37Å; L71-L99 HydrophobicContact CD2-CD2 4.01Å; L71-L99 HydrophobicContact CD2-CG 4.27Å; A94-L99 HydrophobicContact CB-CD1 4.49Å; A94-L99 WeakPolarHBondContact O-CB 3.16Å; A94-L99 WeakPolarHBondContact O-CG 3.41Å; A94-L99 PolarHBondContact O-N 2.87Å; L99-K102 PolarHBondContact O-N 2.8Å; L99-Y106 HydrophobicContact CD1-CE1 3.77Å; L99-Y106 HydrophobicContact CD1-CE2 3.79Å; L99-Y106 VanDerWaalsContact CD1-OH 3.28Å; L99-Y106 WeakPolarHBondContact CD1-OH 3.45Å; L99-Y106 HydrophobicContact CD2-CD2 4.09Å; L99-Y106 HydrophobicContact CD2-CE2 3.99Å; L99-Y106 HydrophobicContact CD2-CG 4.48Å
100L96Very high94.8Very high124 Ų12476.9 Ų76.965%0.64938%0.379SS*.THydrogen-bonded Turntrans-59.1-48.9178.6-17667000112.7H95 K102H95-L100 WeakPolarHBondContact O-CB 3.34Å; H95-L100 PolarHBondContact O-N 3.03Å; L100-K102 PolarHBondContact O-N 3.1Å
101P95.8Very high94.9Very high65 Ų6574.2 Ų74.242%0.42237%0.365SS..THydrogen-bonded Turntrans-79.44.6173.931.3-35.6000114.3N96 E97 K103N96-P101 WeakPolarHBondContact O-CD 3.47Å; E97-P101 VanDerWaalsContact C-CG 3.45Å; E97-P101 WeakPolarHBondContact O-CG 3.5Å; P101-K103 VanDerWaalsContact C-N 3.32Å; P101-K103 HydrophobicContact CB-CG 4.33Å; P101-K103 HydrophobicContact CG-CD 4.32Å; P101-K103 HydrophobicContact CG-CG 4.16Å; P101-K103 PolarHBondContact O-N 3.33Å
102K96Very high94.8Very high172 Ų17274.4 Ų74.475%0.74836%0.361SS*.THydrogen-bonded Turntrans58.235.1-179.9-54.9-179.4179.4179.20114.8F98 L99 L100F98-K102 CarbonylContact O-C 3.6Å; F98-K102 WeakPolarHBondContact O-CA 3.46Å; F98-K102 PolarHBondContact O-N 3.37Å; F98-K102 VanDerWaalsContact O-N 3.1Å; L99-K102 PolarHBondContact O-N 2.8Å; L100-K102 PolarHBondContact O-N 3.1Å
103K95.6Very high94.8Very high89 Ų8976 Ų7639%0.38736%0.363SS..SBendtrans-81.6-21.4173.2-63.7-177.4-177173.90113.2L74 V77 F98 P101L74-K103 WeakPolarHBondContact CB-O 3.23Å; L74-K103 PolarHBondContact N-O 3.41Å; V77-K103 HydrophobicContact CG2-CD 4.48Å; F98-K103 HydrophobicContact CD1-CB 4.33Å; F98-K103 PolarHBondContact O-N 3Å; P101-K103 VanDerWaalsContact C-N 3.32Å; P101-K103 HydrophobicContact CB-CG 4.33Å; P101-K103 HydrophobicContact CG-CD 4.32Å; P101-K103 HydrophobicContact CG-CG 4.16Å; P101-K103 PolarHBondContact O-N 3.33Å
104A96.1Very high94.8Very high4 Ų477.9 Ų77.93%0.03337%0.373CS..EExtended strand (participates in β ladder)trans-143.4166.1178.900000110.7L71 I72 L73 F98L71-A104 HydrophobicContact CB-CB 4.05Å; L71-A104 HydrophobicContact CD1-CB 4.15Å; I72-A104 CarbonylContact O-C 3.59Å; I72-A104 WeakPolarHBondContact O-CA 3.42Å; I72-A104 VanDerWaalsContact O-CB 3.27Å; I72-A104 WeakPolarHBondContact O-CB 3.31Å; L73-A104 HydrophobicContact CD2-CB 4.03Å; F98-A104 HydrophobicContact CB-CB 3.8Å; F98-A104 HydrophobicContact CD1-CB 4.04Å; F98-A104 HydrophobicContact CG-CB 4.28Å; F98-A104 PolarHBondContact O-N 2.75Å
105V96.5Very high94.7Very high30 Ų3081.2 Ų81.218%0.18239%0.386CS..EExtended strand (participates in β ladder)trans-128.3153.8175-161.80000108.9L71 I72 L74 N111 Y115L71-V105 CarbonylContact C-O 3.42Å; L71-V105 WeakPolarHBondContact CA-O 3.28Å; I72-V105 PolarHBondContact N-O 3.09Å; I72-V105 PolarHBondContact O-N 2.62Å; L74-V105 HydrophobicContact CD1-CG2 3.6Å; L74-V105 HydrophobicContact CD2-CG2 3.82Å; L74-V105 HydrophobicContact CG-CG2 3.81Å; V105-N111 WeakPolarHBondContact CG1-ND2 3.41Å; V105-Y115 HydrophobicContact CG2-CE2 4.17Å
106Y96.5Very high94.5Very high121 Ų12183.4 Ų83.448%0.47540%0.401SS..EExtended strand (participates in β ladder)trans-54.6141171.8-70-73000112.4V69 L71 L99 S108 N111V69-Y106 HydrophobicContact CG1-CD1 3.86Å; V69-Y106 HydrophobicContact CG1-CE1 3.73Å; L71-Y106 HydrophobicContact CD2-CD1 4.01Å; L71-Y106 HydrophobicContact CD2-CE1 4.44Å; L99-Y106 HydrophobicContact CD1-CE1 3.77Å; L99-Y106 HydrophobicContact CD1-CE2 3.79Å; L99-Y106 VanDerWaalsContact CD1-OH 3.28Å; L99-Y106 WeakPolarHBondContact CD1-OH 3.45Å; L99-Y106 HydrophobicContact CD2-CD2 4.09Å; L99-Y106 HydrophobicContact CD2-CE2 3.99Å; L99-Y106 HydrophobicContact CD2-CG 4.48Å; Y106-S108 PolarHBondContact O-N 2.79Å; Y106-N111 WeakPolarHBondContact O-CB 3.16Å; Y106-N111 PolarHBondContact O-ND2 3.09Å
107A93.6Very high94Very high19 Ų1979.4 Ų79.416%0.15738%0.379CS..  trans-76.445.817500000113.2A70 I72 Q112 M122A70-A107 HydrophobicContact CB-CB 3.84Å; A70-A107 WeakPolarHBondContact O-CB 3.46Å; A70-A107 PolarHBondContact O-N 3.48Å; I72-A107 HydrophobicContact CD1-CB 4.36Å; I72-A107 HydrophobicContact CG1-CB 4.14Å; A107-Q112 PolarHBondContact O-NE2 3.44Å; A107-M122 HydrophobicContact CB-CE 4.49Å
108S93.2Very high93.4Very high48 Ų4877 Ų7734%0.33637%0.373SS..  trans-73.1154.7175.869.70000111.6Y106 F110 N111 Q112Y106-S108 PolarHBondContact O-N 2.79Å; S108-F110 PolarHBondContact O-N 3.02Å; S108-F110 VanDerWaalsContact O-N 3.15Å; S108-N111 PolarHBondContact O-N 3.18Å; S108-N111 PolarHBondContact OG-N 2.84Å; S108-N111 PolarHBondContact OG-ND2 3.25Å; S108-Q112 VanDerWaalsContact O-CG 3.28Å; S108-Q112 WeakPolarHBondContact O-CG 3.45Å; S108-Q112 PolarHBondContact O-N 3.39Å
109E92.6Very high92.6Very high132 Ų13281.5 Ų81.562%0.61740%0.403SS*.Hα-helixtrans-55.5-34.1176.4-64-172.5-179.700112.6Q112 R113E109-Q112 PolarHBondContact O-N 3.45Å; E109-R113 WeakPolarHBondContact O-CG 3.42Å; E109-R113 PolarHBondContact O-N 3.03Å
110F95.1Very high91.9Very high148 Ų14887.3 Ų87.365%0.64943%0.429SS*.Hα-helixtrans-61.2-48.8174.8175.4-97.9000111.8S108 R113 L114S108-F110 PolarHBondContact O-N 3.02Å; S108-F110 VanDerWaalsContact O-N 3.15Å; F110-R113 PolarHBondContact O-N 2.99Å; F110-L114 HydrophobicContact CE1-CD2 4.36Å; F110-L114 PolarHBondContact O-N 2.86Å
111N94.9Very high90.8Very high19 Ų1986.7 Ų86.710%0.10242%0.421CS..Hα-helixtrans-71.1-32.9-179.4-67.9-33.7000112.2I72 V105 Y106 S108 R113 L114 Y115I72-N111 HydrophobicContact CD1-CB 4.02Å; V105-N111 WeakPolarHBondContact CG1-ND2 3.41Å; Y106-N111 WeakPolarHBondContact O-CB 3.16Å; Y106-N111 PolarHBondContact O-ND2 3.09Å; S108-N111 PolarHBondContact O-N 3.18Å; S108-N111 PolarHBondContact OG-N 2.84Å; S108-N111 PolarHBondContact OG-ND2 3.25Å; N111-R113 VanDerWaalsContact C-N 3.29Å; N111-R113 PolarHBondContact O-N 3.21Å; N111-L114 PolarHBondContact O-N 3.38Å; N111-Y115 HydrophobicContact CB-CD2 4.3Å; N111-Y115 HydrophobicContact CB-CE2 4.37Å; N111-Y115 WeakPolarHBondContact O-CD2 3.48Å; N111-Y115 PolarHBondContact O-N 3.33Å
112Q90.8Very high89.5Confident46 Ų4686.5 Ų86.522%0.21542%0.415CS..Hα-helixtrans-58.5-44.2173.7-67.3164.229.900111.2A107 S108 E109 N116 I117 M122A107-Q112 PolarHBondContact O-NE2 3.44Å; S108-Q112 VanDerWaalsContact O-CG 3.28Å; S108-Q112 WeakPolarHBondContact O-CG 3.45Å; S108-Q112 PolarHBondContact O-N 3.39Å; E109-Q112 PolarHBondContact O-N 3.45Å; Q112-N116 PolarHBondContact O-N 3Å; Q112-N116 VanDerWaalsContact O-N 3.1Å; Q112-I117 PolarHBondContact O-N 3.48Å; Q112-I117 VanDerWaalsContact O-N 3.13Å; Q112-M122 HydrophobicContact CG-CE 4.21Å; Q112-M122 HydrophobicContact CG-SD 3.74Å; Q112-M122 VanDerWaalsContact NE2-CE 3.3Å; Q112-M122 PolarHBondContact OE1-SD 3.08Å
113R92.9Very high88.2Confident186 Ų18687 Ų8770%0.70242%0.417SS*.Hα-helixtrans-67.4-42.8174.9-66.4176.5-166.5-178.36.9111.7E109 F110 N111 Y115 N116E109-R113 WeakPolarHBondContact O-CG 3.42Å; E109-R113 PolarHBondContact O-N 3.03Å; F110-R113 PolarHBondContact O-N 2.99Å; N111-R113 VanDerWaalsContact C-N 3.29Å; N111-R113 PolarHBondContact O-N 3.21Å; R113-Y115 VanDerWaalsContact C-N 3.33Å; R113-Y115 PolarHBondContact O-N 3.39Å; R113-N116 PolarHBondContact O-N 2.89Å; R113-N116 PolarHBondContact O-OD1 3.42Å
114L93.9Very high86.9Confident98 Ų9886 Ų8651%0.51342%0.422SS..Hα-helixtrans-60.3-41.2-179.5-175.764.2000112.5F110 N111F110-L114 HydrophobicContact CE1-CD2 4.36Å; F110-L114 PolarHBondContact O-N 2.86Å; N111-L114 PolarHBondContact O-N 3.38Å
115Y92.2Very high85.3Confident72 Ų7292.3 Ų92.328%0.28245%0.449SS..THydrogen-bonded Turntrans-97.55.7-177.7-63.5-65.5000114.1I72 L74 F84 V105 N111 R113 I117I72-Y115 HydrophobicContact CG2-CD2 4.46Å; L74-Y115 HydrophobicContact CD2-CD1 4.5Å; L74-Y115 HydrophobicContact CD2-CE1 3.72Å; L74-Y115 HydrophobicContact CD2-CE2 4.02Å; L74-Y115 VanDerWaalsContact CD2-CZ 3.46Å; L74-Y115 WeakPolarHBondContact CD2-OH 3.36Å; F84-Y115 HydrophobicContact CD1-CD1 4.29Å; F84-Y115 HydrophobicContact CD1-CG 4.44Å; F84-Y115 AromaticContact CE1-CD1 3.69Å; F84-Y115 HydrophobicContact CE1-CD1 3.69Å; F84-Y115 HydrophobicContact CE1-CE1 4.33Å; F84-Y115 HydrophobicContact CE1-CG 4.28Å; V105-Y115 HydrophobicContact CG2-CE2 4.17Å; N111-Y115 HydrophobicContact CB-CD2 4.3Å; N111-Y115 HydrophobicContact CB-CE2 4.37Å; N111-Y115 WeakPolarHBondContact O-CD2 3.48Å; N111-Y115 PolarHBondContact O-N 3.33Å; R113-Y115 VanDerWaalsContact C-N 3.33Å; R113-Y115 PolarHBondContact O-N 3.39Å; Y115-I117 VanDerWaalsContact C-N 3.25Å; Y115-I117 PolarHBondContact O-N 3.12Å
116N89.9Confident83.5Confident147 Ų14791.4 Ų91.479%0.78645%0.445SS*.THydrogen-bonded Turntrans50.141.8-178.9-63.9-50.8000113.8Q112 R113 S118Q112-N116 PolarHBondContact O-N 3Å; Q112-N116 VanDerWaalsContact O-N 3.1Å; R113-N116 PolarHBondContact O-N 2.89Å; R113-N116 PolarHBondContact O-OD1 3.42Å; N116-S118 PolarHBondContact O-N 3.29Å
117I84.6Confident81.6Confident18 Ų1888 Ų889%0.09244%0.439CS..  trans-80.1123.8-179.3-61.6173.4000108.6I72 V86 Q112 Y115 K121 M122I72-I117 HydrophobicContact CB-CD1 4.13Å; I72-I117 HydrophobicContact CD1-CD1 3.59Å; I72-I117 HydrophobicContact CG1-CD1 3.64Å; I72-I117 HydrophobicContact CG2-CD1 3.35Å; V86-I117 HydrophobicContact CG2-CG2 4.4Å; Q112-I117 PolarHBondContact O-N 3.48Å; Q112-I117 VanDerWaalsContact O-N 3.13Å; Y115-I117 VanDerWaalsContact C-N 3.25Å; Y115-I117 PolarHBondContact O-N 3.12Å; I117-K121 HydrophobicContact CG2-CB 4.1Å; I117-M122 HydrophobicContact CG2-CG 4.18Å
118S82.9Confident80.1Confident45 Ų4595.4 Ų95.432%0.31546%0.463SS..  trans-65.6143.4178.165.90000110.8N116 E120 K121 M122N116-S118 PolarHBondContact O-N 3.29Å; S118-E120 PolarHBondContact O-N 2.94Å; S118-E120 VanDerWaalsContact O-N 3.15Å; S118-K121 WeakPolarHBondContact O-CB 2.97Å; S118-K121 PolarHBondContact O-N 3.18Å; S118-K121 WeakPolarHBondContact OG-CB 3.46Å; S118-K121 WeakPolarHBondContact OG-CG 3.15Å; S118-K121 PolarHBondContact OG-N 3.39Å; S118-M122 PolarHBondContact O-N 3.4Å
119P78.5Confident78.5Confident97 Ų9799.4 Ų99.463%0.6348%0.479SS*.Hα-helixtrans-62.6-23.4177.226.3-35000112M122 K123P119-M122 WeakPolarHBondContact O-CB 3.19Å; P119-M122 PolarHBondContact O-N 3.2Å; P119-K123 PolarHBondContact O-N 3.47Å
120E81.4Confident76.9Confident153 Ų15394.4 Ų94.472%0.71546%0.457SS*.Hα-helixtrans-65.9-44.3172.2-63.5-179.9175.900111.7S118 M122 K123 S124S118-E120 PolarHBondContact O-N 2.94Å; S118-E120 VanDerWaalsContact O-N 3.15Å; E120-M122 PolarHBondContact O-N 2.88Å; E120-K123 PolarHBondContact O-N 2.72Å; E120-S124 PolarHBondContact O-N 3.2Å; E120-S124 PolarHBondContact O-OG 3.31Å
121K73.6Confident75.5Confident112 Ų11287.9 Ų87.949%0.48743%0.429SS..Hα-helixtrans-63-29.5175.5-82.8-173.7176.6-169.30112.7I117 S118 S124I117-K121 HydrophobicContact CG2-CB 4.1Å; S118-K121 WeakPolarHBondContact O-CB 2.97Å; S118-K121 PolarHBondContact O-N 3.18Å; S118-K121 WeakPolarHBondContact OG-CB 3.46Å; S118-K121 WeakPolarHBondContact OG-CG 3.15Å; S118-K121 PolarHBondContact OG-N 3.39Å; K121-S124 VanDerWaalsContact CA-OG 3.32Å; K121-S124 WeakPolarHBondContact CA-OG 3.36Å; K121-S124 PolarHBondContact O-OG 3.47Å; K121-S124 VanDerWaalsContact O-OG 3.06Å
122M68Low74.5Confident60 Ų6093 Ų9330%0.29645%0.451SS..Hα-helixtrans-68-35.3173.2-67.1-166.470.600112.8V86 A107 Q112 I117 S118 P119 E120V86-M122 HydrophobicContact CG2-CG 4.18Å; A107-M122 HydrophobicContact CB-CE 4.49Å; Q112-M122 HydrophobicContact CG-CE 4.21Å; Q112-M122 HydrophobicContact CG-SD 3.74Å; Q112-M122 VanDerWaalsContact NE2-CE 3.3Å; Q112-M122 PolarHBondContact OE1-SD 3.08Å; I117-M122 HydrophobicContact CG2-CG 4.18Å; S118-M122 PolarHBondContact O-N 3.4Å; P119-M122 WeakPolarHBondContact O-CB 3.19Å; P119-M122 PolarHBondContact O-N 3.2Å; E120-M122 PolarHBondContact O-N 2.88Å
123K69.5Low73.7Confident182 Ų18292.8 Ų92.879%0.79145%0.45SS*.Hα-helixtrans-77.2-34.8178.5-68.5-178.7-179.4179.60111.6P119 E120 K125P119-K123 PolarHBondContact O-N 3.47Å; E120-K123 PolarHBondContact O-N 2.72Å; K123-K125 PolarHBondContact O-N 3.43Å
124S67.3Low72.8Confident69 Ų6989.6 Ų89.648%0.48344%0.443SS..SBendtrans-73.297.2171.763.90000108.9E120 K121 G126E120-S124 PolarHBondContact O-N 3.2Å; E120-S124 PolarHBondContact O-OG 3.31Å; K121-S124 VanDerWaalsContact CA-OG 3.32Å; K121-S124 WeakPolarHBondContact CA-OG 3.36Å; K121-S124 PolarHBondContact O-OG 3.47Å; K121-S124 VanDerWaalsContact O-OG 3.06Å; S124-G126 PolarHBondContact O-N 3.24Å; S124-G126 VanDerWaalsContact O-N 3.13Å
125K63.3Low72.1Confident137 Ų13789.3 Ų89.360%0.59644%0.437SS*.  trans-48.9125.3171-66.3-168.9179.6-147.20108.4E88 K123 S127E88-K125 IonicContact OE1-NZ 3.8Å; E88-K125 IonicContact OE2-NZ 2.75Å; E88-K125 PolarHBondContact OE2-NZ 3.39Å; K123-K125 PolarHBondContact O-N 3.43Å; K125-S127 PolarHBondContact O-N 3.05Å
126G58.8Low71.6Confident10 Ų1088.1 Ų88.110%0.10344%0.438CS..  trans-43134.7-174.600000111.4V86 S124 R128V86-G126 PolarHBondContact O-N 2.94Å; S124-G126 PolarHBondContact O-N 3.24Å; S124-G126 VanDerWaalsContact O-N 3.13Å; G126-R128 PolarHBondContact O-N 2.76Å
127S56.9Low71.1Confident50 Ų5082 Ų8235%0.3541%0.406SS..  trans-67.393.9-168.757.70000110.3K125 L129 L130K125-S127 PolarHBondContact O-N 3.05Å; S127-L129 PolarHBondContact O-N 3.18Å; S127-L130 PolarHBondContact O-N 3.25Å; S127-L130 VanDerWaalsContact OG-CD1 3.31Å; S127-L130 WeakPolarHBondContact OG-CD1 3.3Å
128R60.8Low71Confident175 Ų17587.9 Ų87.966%0.6643%0.431SS*.Hα-helixtrans-53.3-20.3174.4-65.1179.9177.9172.1-2.6112.9G126 L130 T131 F132G126-R128 PolarHBondContact O-N 2.76Å; R128-L130 PolarHBondContact O-N 2.75Å; R128-T131 WeakPolarHBondContact O-CB 3.07Å; R128-T131 PolarHBondContact O-N 3.02Å; R128-T131 PolarHBondContact O-OG1 3.18Å; R128-F132 HydrophobicContact CB-CE2 4.11Å; R128-F132 WeakPolarHBondContact O-CD2 3.38Å; R128-F132 PolarHBondContact O-N 2.97Å
129L60.6Low71.2Confident131 Ų13190.9 Ų90.969%0.68644%0.44SS*.Hα-helixtrans-55-50.7-178.7-63.5172.8000112.5S127 T131 F132 E133S127-L129 PolarHBondContact O-N 3.18Å; L129-T131 PolarHBondContact O-N 2.84Å; L129-F132 PolarHBondContact O-N 3.42Å; L129-F132 VanDerWaalsContact O-N 3.08Å; L129-E133 PolarHBondContact O-N 3.08Å
130L59.7Low71.5Confident28 Ų2886.3 Ų86.315%0.14741%0.41CS..Hα-helixtrans-62.4-32.5-176-62.7169.6000112.5R82 S127 R128 E133 H134R82-L130 HydrophobicContact CG-CD1 3.93Å; R82-L130 VanDerWaalsContact NE-CD1 3.29Å; R82-L130 VanDerWaalsContact NH2-CD2 3.25Å; S127-L130 PolarHBondContact O-N 3.25Å; S127-L130 VanDerWaalsContact OG-CD1 3.31Å; S127-L130 WeakPolarHBondContact OG-CD1 3.3Å; R128-L130 PolarHBondContact O-N 2.75Å; L130-E133 WeakPolarHBondContact O-CB 3.25Å; L130-E133 PolarHBondContact O-N 2.8Å; L130-H134 PolarHBondContact O-N 3.35Å
131T65.4Low71.6Confident10 Ų1084.3 Ų84.36%0.06140%0.401CS..Hα-helixtrans-63.3-43.5177.3-51.10000112.3G79 R128 L129 E133 K135G79-T131 WeakPolarHBondContact O-CG2 3.3Å; R128-T131 WeakPolarHBondContact O-CB 3.07Å; R128-T131 PolarHBondContact O-N 3.02Å; R128-T131 PolarHBondContact O-OG1 3.18Å; L129-T131 PolarHBondContact O-N 2.84Å; T131-E133 VanDerWaalsContact C-N 3.33Å; T131-K135 PolarHBondContact O-N 3.1Å
132F73.9Confident72.1Confident128 Ų12883.6 Ų83.656%0.56141%0.41SS*.Hα-helixtrans-68-38177.6-69.2-70.5000110.7R128 L129 H134 K135 T136R128-F132 HydrophobicContact CB-CE2 4.11Å; R128-F132 WeakPolarHBondContact O-CD2 3.38Å; R128-F132 PolarHBondContact O-N 2.97Å; L129-F132 PolarHBondContact O-N 3.42Å; L129-F132 VanDerWaalsContact O-N 3.08Å; F132-H134 VanDerWaalsContact C-N 3.33Å; F132-H134 PolarHBondContact O-N 3.35Å; F132-K135 PolarHBondContact O-N 3.36Å; F132-T136 WeakPolarHBondContact O-CB 3.48Å; F132-T136 PolarHBondContact O-N 3.4Å; F132-T136 PolarHBondContact O-OG1 3.01Å
133E73.9Confident73Confident41 Ų4182.4 Ų82.419%0.19240%0.404CS..Hα-helixtrans-57.2-43.7177.7-65.8179.2160.100112.3L129 L130 T131 S137 S204L129-E133 PolarHBondContact O-N 3.08Å; L130-E133 WeakPolarHBondContact O-CB 3.25Å; L130-E133 PolarHBondContact O-N 2.8Å; T131-E133 VanDerWaalsContact C-N 3.33Å; E133-S137 WeakPolarHBondContact O-CB 3.31Å; E133-S137 PolarHBondContact O-N 2.81Å; E133-S204 VanDerWaalsContact OE1-CB 3.3Å; E133-S204 WeakPolarHBondContact OE1-CB 3.36Å; E133-S204 PolarHBondContact OE1-OG 3.46Å
134H74.2Confident73.8Confident119 Ų11978.6 Ų78.655%0.55139%0.392SS*.Hα-helixtrans-66.4-41.5176.9-76.3-42.4000113.2L130 F132 S137 K138L130-H134 PolarHBondContact O-N 3.35Å; F132-H134 VanDerWaalsContact C-N 3.33Å; F132-H134 PolarHBondContact O-N 3.35Å; H134-S137 WeakPolarHBondContact O-CB 3.4Å; H134-S137 PolarHBondContact O-N 3.03Å; H134-K138 PolarHBondContact O-N 2.95Å
135K78.9Confident74.8Confident91 Ų9175.3 Ų75.340%0.39637%0.369SS..Hα-helixtrans-62.9-49.3176.1-74.9-176.4176-177.70111.3E78 T131 F132 S137 K138 Q139E78-K135 HydrophobicContact CG-CG 4.28Å; E78-K135 WeakPolarHBondContact OE1-CG 3.43Å; T131-K135 PolarHBondContact O-N 3.1Å; F132-K135 PolarHBondContact O-N 3.36Å; K135-S137 VanDerWaalsContact C-N 3.32Å; K135-S137 PolarHBondContact O-N 2.84Å; K135-K138 PolarHBondContact O-N 3.44Å; K135-Q139 WeakPolarHBondContact O-CG 3.14Å; K135-Q139 PolarHBondContact O-N 3.08Å; K135-Q139 VanDerWaalsContact O-N 3.08Å
136T81.4Confident75.9Confident48 Ų4872.5 Ų72.529%0.29436%0.359SS..Hα-helixtrans-61-41.9177-58.80000110.9F132 K138 Q139 L140F132-T136 WeakPolarHBondContact O-CB 3.48Å; F132-T136 PolarHBondContact O-N 3.4Å; F132-T136 PolarHBondContact O-OG1 3.01Å; T136-K138 PolarHBondContact O-N 2.95Å; T136-Q139 PolarHBondContact O-N 3.43Å; T136-L140 HydrophobicContact CG2-CD1 3.93Å; T136-L140 HydrophobicContact CG2-CG 4.27Å; T136-L140 WeakPolarHBondContact O-CB 3.33Å; T136-L140 VanDerWaalsContact O-CG 3.3Å; T136-L140 WeakPolarHBondContact O-CG 3.31Å; T136-L140 PolarHBondContact O-N 2.84Å
137S80.2Confident77.4Confident18 Ų1872 Ų7213%0.12636%0.355CS..Hα-helixtrans-56.1-50.2175.3175.40000112.3E133 H134 K135 Q139 L140 H141 Y209E133-S137 WeakPolarHBondContact O-CB 3.31Å; E133-S137 PolarHBondContact O-N 2.81Å; H134-S137 WeakPolarHBondContact O-CB 3.4Å; H134-S137 PolarHBondContact O-N 3.03Å; K135-S137 VanDerWaalsContact C-N 3.32Å; K135-S137 PolarHBondContact O-N 2.84Å; S137-Q139 VanDerWaalsContact C-N 3.32Å; S137-Q139 PolarHBondContact O-N 3.45Å; S137-L140 PolarHBondContact O-N 2.84Å; S137-H141 WeakPolarHBondContact O-CB 3.36Å; S137-H141 PolarHBondContact O-CD2 3.06Å; S137-H141 PolarHBondContact O-N 3.32Å; S137-Y209 VanDerWaalsContact CB-CE1 3.5Å; S137-Y209 VanDerWaalsContact CB-CZ 3.41Å; S137-Y209 VanDerWaalsContact CB-OH 3.31Å; S137-Y209 WeakPolarHBondContact CB-OH 3.29Å; S137-Y209 WeakPolarHBondContact OG-CE1 3.47Å
138K82.7Confident78.8Confident141 Ų14173.4 Ų73.461%0.61336%0.358SS*.Hα-helixtrans-62.2-42.2-179.1-173.2177.7-178.4178.10111.5H134 K135 T136 S142H134-K138 PolarHBondContact O-N 2.95Å; K135-K138 PolarHBondContact O-N 3.44Å; T136-K138 PolarHBondContact O-N 2.95Å; K138-S142 PolarHBondContact O-N 3.22Å; K138-S142 PolarHBondContact O-OG 3.09Å
139Q85.9Confident80Confident109 Ų10965.8 Ų65.851%0.50933%0.33SS..Hα-helixtrans-62.9-49176-71.8179.9-3500111.4K135 T136 S137 H141 S142 L143 F171K135-Q139 WeakPolarHBondContact O-CG 3.14Å; K135-Q139 PolarHBondContact O-N 3.08Å; K135-Q139 VanDerWaalsContact O-N 3.08Å; T136-Q139 PolarHBondContact O-N 3.43Å; S137-Q139 VanDerWaalsContact C-N 3.32Å; S137-Q139 PolarHBondContact O-N 3.45Å; Q139-H141 PolarHBondContact O-N 2.88Å; Q139-S142 PolarHBondContact O-N 3.47Å; Q139-S142 PolarHBondContact O-OG 3.31Å; Q139-L143 PolarHBondContact O-N 3.41Å; Q139-F171 HydrophobicContact CB-CE1 4.47Å; Q139-F171 HydrophobicContact CB-CZ 4.09Å
140L85.9Confident81.3Confident0 Ų060.9 Ų60.90%031%0.307CS..Hα-helixtrans-59.2-47.5177.3-72.4176.3000110.9T136 S137 S142 L143 F171 V203 Y209 L211T136-L140 HydrophobicContact CG2-CD1 3.93Å; T136-L140 HydrophobicContact CG2-CG 4.27Å; T136-L140 WeakPolarHBondContact O-CB 3.33Å; T136-L140 VanDerWaalsContact O-CG 3.3Å; T136-L140 WeakPolarHBondContact O-CG 3.31Å; T136-L140 PolarHBondContact O-N 2.84Å; S137-L140 PolarHBondContact O-N 2.84Å; L140-S142 PolarHBondContact O-N 2.94Å; L140-S142 VanDerWaalsContact O-N 3.15Å; L140-L143 HydrophobicContact CD2-CD2 4.35Å; L140-L143 VanDerWaalsContact O-CB 3.24Å; L140-L143 WeakPolarHBondContact O-CB 2.9Å; L140-L143 PolarHBondContact O-N 3.05Å; L140-F171 HydrophobicContact CD2-CD1 3.79Å; L140-F171 HydrophobicContact CD2-CE1 3.75Å; L140-F171 HydrophobicContact CD2-CG 4.25Å; L140-F171 HydrophobicContact CD2-CZ 4.2Å; L140-F171 HydrophobicContact CG-CE1 4.21Å; L140-V203 HydrophobicContact CD1-CG2 3.93Å; L140-Y209 HydrophobicContact CD1-CD2 3.75Å; L140-Y209 HydrophobicContact CD1-CE2 4.25Å; L140-L211 HydrophobicContact CB-CD2 4.13Å; L140-L211 HydrophobicContact CD2-CD1 4.36Å; L140-L211 WeakPolarHBondContact O-CD2 3.25Å
141H82.2Confident82.5Confident112 Ų11263 Ų6352%0.51932%0.315SS..Hα-helixtrans-58-32.2179-92.6-63.2000114.6S137 Q139 L143 Y209S137-H141 WeakPolarHBondContact O-CB 3.36Å; S137-H141 PolarHBondContact O-CD2 3.06Å; S137-H141 PolarHBondContact O-N 3.32Å; Q139-H141 PolarHBondContact O-N 2.88Å; H141-L143 VanDerWaalsContact C-N 3.34Å; H141-Y209 AromaticContact CD2-CD1 3.82Å; H141-Y209 AromaticContact NE2-CD1 3.45Å; H141-Y209 WeakPolarHBondContact NE2-CD1 3.36Å
142S84.3Confident83.5Confident96 Ų9667.7 Ų67.767%0.67134%0.339SS*.Hα-helixtrans-84.3-8.6176.564.40000114K138 Q139 L140K138-S142 PolarHBondContact O-N 3.22Å; K138-S142 PolarHBondContact O-OG 3.09Å; Q139-S142 PolarHBondContact O-N 3.47Å; Q139-S142 PolarHBondContact O-OG 3.31Å; L140-S142 PolarHBondContact O-N 2.94Å; L140-S142 VanDerWaalsContact O-N 3.15Å
143L86.7Confident84.2Confident35 Ų3565.4 Ų65.418%0.18334%0.336CS..  trans-83.8131.2-170.9-167.271.1000111.6Q139 L140 H141 V145 L166 Q169 F171 L211Q139-L143 PolarHBondContact O-N 3.41Å; L140-L143 HydrophobicContact CD2-CD2 4.35Å; L140-L143 VanDerWaalsContact O-CB 3.24Å; L140-L143 WeakPolarHBondContact O-CB 2.9Å; L140-L143 PolarHBondContact O-N 3.05Å; H141-L143 VanDerWaalsContact C-N 3.34Å; L143-V145 HydrophobicContact CD2-CG2 3.74Å; L143-V145 HydrophobicContact CG-CG2 4.04Å; L143-L166 HydrophobicContact CD2-CD2 3.92Å; L143-Q169 VanDerWaalsContact CD1-OE1 3.29Å; L143-F171 HydrophobicContact CD1-CE2 3.97Å; L143-F171 HydrophobicContact CD2-CD2 3.63Å; L143-F171 HydrophobicContact CD2-CE2 3.48Å; L143-F171 VanDerWaalsContact CD2-CE2 3.48Å; L143-F171 HydrophobicContact CD2-CZ 4.28Å; L143-F171 HydrophobicContact CG-CE2 4.32Å; L143-L211 HydrophobicContact CB-CD2 4.33Å
144I87.1Confident85Confident102 Ų10268.9 Ų68.952%0.52336%0.362SS..BIsolated β-bridgetrans-108.2116.9168.4-61177.7000107.3Q169 P214I144-Q169 PolarHBondContact O-NE2 3.45Å; I144-Q169 PolarHBondContact O-OE1 3.34Å; I144-P214 HydrophobicContact CG2-CG 3.6Å
145V87.1Confident85.8Confident0 Ų064.2 Ų64.20%034%0.34CS..  trans-93.8111.3-173.1178.80000109.3L143 V147 L166 F199 L211 V212 L213 P214L143-V145 HydrophobicContact CD2-CG2 3.74Å; L143-V145 HydrophobicContact CG-CG2 4.04Å; V145-V147 HydrophobicContact CG1-CG2 4.38Å; V145-V147 PolarHBondContact O-N 3.08Å; V145-L166 HydrophobicContact CG1-CD2 4.36Å; V145-L166 HydrophobicContact CG1-CG 4.3Å; V145-L166 HydrophobicContact CG2-CD2 3.54Å; V145-L166 HydrophobicContact CG2-CG 4.32Å; V145-F199 HydrophobicContact CB-CE1 4.39Å; V145-F199 HydrophobicContact CB-CZ 4.33Å; V145-F199 HydrophobicContact CG2-CE1 4.44Å; V145-F199 HydrophobicContact CG2-CZ 4.1Å; V145-L211 HydrophobicContact CG2-CD1 4.29Å; V145-V212 PolarHBondContact N-O 3.21Å; V145-L213 HydrophobicContact CB-CD2 3.58Å; V145-L213 HydrophobicContact CG1-CD2 3.63Å; V145-L213 WeakPolarHBondContact O-CA 3.45Å; V145-L213 WeakPolarHBondContact O-CD2 3.19Å; V145-P214 VanDerWaalsContact O-CD 3.29Å; V145-P214 WeakPolarHBondContact O-CD 3.3Å
146I88Confident86.5Confident78 Ų7863.5 Ų63.540%0.434%0.343SS..  trans-84.4121.2179.3-53173.3000108.1N148 S165 P214 M216I146-N148 WeakPolarHBondContact CG2-OD1 3.41Å; I146-S165 WeakPolarHBondContact O-CB 3.42Å; I146-S165 PolarHBondContact O-OG 3.02Å; I146-P214 HydrophobicContact CG1-CG 3.99Å; I146-M216 HydrophobicContact CG2-CB 4.1Å
147V88.7Confident86.9Confident1 Ų161.9 Ų61.91%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-105.4114.3174.1-176.50000108.6V145 M149 L157 H161 V162 S165 L213 P214 L215 M216V145-V147 HydrophobicContact CG1-CG2 4.38Å; V145-V147 PolarHBondContact O-N 3.08Å; V147-M149 HydrophobicContact CG1-CG 3.94Å; V147-M149 HydrophobicContact CG1-SD 3.64Å; V147-L157 HydrophobicContact CG1-CD1 3.92Å; V147-H161 HydrophobicContact CG1-CB 4.34Å; V147-V162 HydrophobicContact CG2-CG2 4.44Å; V147-S165 WeakPolarHBondContact CA-OG 3.24Å; V147-L213 HydrophobicContact CG2-CD2 3.5Å; V147-P214 PolarHBondContact N-O 2.81Å; V147-L215 HydrophobicContact CB-CD2 4.1Å; V147-L215 HydrophobicContact CG1-CD2 4.35Å; V147-M216 PolarHBondContact O-N 3.16Å; V147-M216 VanDerWaalsContact O-N 3.1Å
148N86.6Confident87.5Confident78 Ų7866 Ų6642%0.41735%0.35SS..EExtended strand (participates in β ladder)trans-89.3118.1177.8-65.76.8000108.1I146 M216I146-N148 WeakPolarHBondContact CG2-OD1 3.41Å; N148-M216 WeakPolarHBondContact CA-O 3.41Å
149M87.3Confident88Confident16 Ų1662.8 Ų62.88%0.07934%0.336CS..EExtended strand (participates in β ladder)trans-121152.8175.5-57.1-58.6-6900109.7V147 W155 H161 L215 M216 T217 Y218V147-M149 HydrophobicContact CG1-CG 3.94Å; V147-M149 HydrophobicContact CG1-SD 3.64Å; M149-W155 HydrophobicContact CB-CD2 3.83Å; M149-W155 HydrophobicContact CB-CG 4.11Å; M149-W155 HydrophobicContact CB-CZ2 3.81Å; M149-W155 HydrophobicContact CE-CB 3.43Å; M149-W155 VanDerWaalsContact CE-CB 3.43Å; M149-W155 HydrophobicContact CE-CD2 3.43Å; M149-W155 VanDerWaalsContact CE-CD2 3.43Å; M149-W155 HydrophobicContact CE-CE3 3.6Å; M149-W155 HydrophobicContact CE-CG 3.35Å; M149-W155 HydrophobicContact CG-CD2 3.94Å; M149-W155 HydrophobicContact CG-CE3 4.15Å; M149-W155 HydrophobicContact CG-CG 4.49Å; M149-W155 HydrophobicContact CG-CH2 4.31Å; M149-W155 HydrophobicContact CG-CZ2 4.04Å; M149-W155 HydrophobicContact CG-CZ3 4.34Å; M149-H161 HydrophobicContact SD-CB 4.4Å; M149-L215 HydrophobicContact CG-CD2 4.36Å; M149-M216 PolarHBondContact N-O 2.96Å; M149-M216 VanDerWaalsContact N-O 3.14Å; M149-T217 WeakPolarHBondContact O-CA 3.45Å; M149-Y218 PolarHBondContact O-N 2.89Å; M149-Y218 VanDerWaalsContact O-N 3.08Å
150S86.7Confident88.3Confident27 Ų2762.5 Ų62.519%0.18933%0.33CS..EExtended strand (participates in β ladder)trans-67145.8175.846.80000111.2T153 W155S150-T153 VanDerWaalsContact CB-OG1 3.25Å; S150-T153 WeakPolarHBondContact CB-OG1 3.38Å; S150-T153 PolarHBondContact OG-O 3.3Å; S150-T153 PolarHBondContact OG-OG1 2.84Å; S150-W155 PolarHBondContact O-NE1 2.91Å
151F85.1Confident88.5Confident74 Ų7463.7 Ų63.733%0.32534%0.336SS..SBendtrans-84-32.7169.9-171.3-97.9000112.2P188 I190 T217 Y218 V219F151-P188 WeakPolarHBondContact O-CB 3.48Å; F151-P188 WeakPolarHBondContact O-CG 3.45Å; F151-I190 HydrophobicContact CE2-CG1 4.06Å; F151-I190 HydrophobicContact CZ-CG1 4.4Å; F151-T217 HydrophobicContact CD2-CG2 4.36Å; F151-Y218 PolarHBondContact N-O 2.89Å; F151-Y218 VanDerWaalsContact N-O 3.16Å; F151-V219 HydrophobicContact CB-CG2 4.14Å; F151-V219 HydrophobicContact CG-CG2 4.48Å
152D87Confident88.9Confident107 Ų10758.3 Ų58.357%0.57231%0.311SS*.SBendtrans-86.1-31.2-171-55.9-57.1000113.7
153T88.7Confident89.3Confident81 Ų8156.2 Ų56.250%0.49729%0.29SS..SBendtrans-102.3132.8-177570000110.8S150 W155S150-T153 VanDerWaalsContact CB-OG1 3.25Å; S150-T153 WeakPolarHBondContact CB-OG1 3.38Å; S150-T153 PolarHBondContact OG-O 3.3Å; S150-T153 PolarHBondContact OG-OG1 2.84Å; T153-W155 VanDerWaalsContact O-CD1 3.25Å; T153-W155 PolarHBondContact O-N 3.24Å
154P91.1Very high89.6Confident114 Ų11458.5 Ų58.574%0.7430%0.302SS*.  trans-64.8135.4176.227.8-33.9000110.4G187P154-G187 WeakPolarHBondContact CA-O 3.36Å
155W91.3Very high89.7Confident20 Ų2054.1 Ų54.18%0.07628%0.28CS..EExtended strand (participates in β ladder)trans-137.6152.6-177.254-101.7000111.4M149 S150 T153 L157 I185 S186 G187 L215M149-W155 HydrophobicContact CB-CD2 3.83Å; M149-W155 HydrophobicContact CB-CG 4.11Å; M149-W155 HydrophobicContact CB-CZ2 3.81Å; M149-W155 HydrophobicContact CE-CB 3.43Å; M149-W155 VanDerWaalsContact CE-CB 3.43Å; M149-W155 HydrophobicContact CE-CD2 3.43Å; M149-W155 VanDerWaalsContact CE-CD2 3.43Å; M149-W155 HydrophobicContact CE-CE3 3.6Å; M149-W155 HydrophobicContact CE-CG 3.35Å; M149-W155 HydrophobicContact CG-CD2 3.94Å; M149-W155 HydrophobicContact CG-CE3 4.15Å; M149-W155 HydrophobicContact CG-CG 4.49Å; M149-W155 HydrophobicContact CG-CH2 4.31Å; M149-W155 HydrophobicContact CG-CZ2 4.04Å; M149-W155 HydrophobicContact CG-CZ3 4.34Å; S150-W155 PolarHBondContact O-NE1 2.91Å; T153-W155 VanDerWaalsContact O-CD1 3.25Å; T153-W155 PolarHBondContact O-N 3.24Å; W155-L157 HydrophobicContact CZ3-CB 4.28Å; W155-I185 HydrophobicContact CH2-CG2 4.4Å; W155-I185 HydrophobicContact CZ3-CG2 4.22Å; W155-S186 WeakPolarHBondContact O-CA 3.42Å; W155-G187 PolarHBondContact N-O 3.22Å; W155-G187 VanDerWaalsContact N-O 3.1Å; W155-G187 PolarHBondContact O-N 3.48Å; W155-L215 HydrophobicContact CH2-CD1 3.84Å; W155-L215 HydrophobicContact CH2-CD2 4.33Å
156V92.1Very high89.9Confident77 Ų7754.2 Ų54.247%0.46728%0.281SS..EExtended strand (participates in β ladder)trans-120.1128.8172.1179.90000107.3E158 H161V156-E158 PolarHBondContact O-N 3.33Å; V156-H161 PolarHBondContact O-CE1 3.4Å
157L90.4Very high90.1Very high13 Ų1359.4 Ų59.47%0.06830%0.295CS..  trans-70.197.1-178.4-171.674.4000110.4V147 W155 H161 V162 L180 I185 L213 L215V147-L157 HydrophobicContact CG1-CD1 3.92Å; W155-L157 HydrophobicContact CZ3-CB 4.28Å; L157-H161 HydrophobicContact CD1-CB 4.07Å; L157-V162 HydrophobicContact CD1-CG2 4.43Å; L157-L180 HydrophobicContact CD2-CD2 4.35Å; L157-L180 WeakPolarHBondContact O-CD1 3.38Å; L157-I185 HydrophobicContact CB-CB 4.12Å; L157-I185 HydrophobicContact CD2-CB 4.49Å; L157-I185 HydrophobicContact CD2-CD1 3.84Å; L157-I185 PolarHBondContact N-O 3.15Å; L157-L213 HydrophobicContact CD2-CD1 4.45Å; L157-L215 HydrophobicContact CD1-CD2 4.42Å
158E92.2Very high90.2Very high104 Ų10468.1 Ų68.149%0.48633%0.328SS..  trans-93.9166171.6-64.2-176.9160.100112.7V156 W160 H161V156-E158 PolarHBondContact O-N 3.33Å; E158-W160 VanDerWaalsContact C-N 3.29Å; E158-W160 PolarHBondContact O-N 3.24Å; E158-W160 PolarHBondContact OE2-NE1 3.01Å; E158-H161 PolarHBondContact N-ND1 3.25Å; E158-H161 WeakPolarHBondContact O-CB 3.36Å; E158-H161 PolarHBondContact O-N 2.92Å; E158-H161 PolarHBondContact O-ND1 3.45Å
159K92.7Very high90.4Very high75 Ų7567.4 Ų67.433%0.32632%0.322SS..Hα-helixtrans-60.2-36.4-175.8-63.2-174.7179-163.50113.1H161 V162 Q163 E175 I178 L180K159-H161 VanDerWaalsContact C-N 3.3Å; K159-H161 PolarHBondContact O-N 3.09Å; K159-V162 PolarHBondContact O-N 3.46Å; K159-Q163 PolarHBondContact O-N 2.81Å; K159-E175 HydrophobicContact CB-CB 4.46Å; K159-I178 WeakPolarHBondContact CD-O 3.2Å; K159-I178 WeakPolarHBondContact CE-O 3.38Å; K159-I178 PolarHBondContact NZ-O 3.39Å; K159-L180 HydrophobicContact CG-CD1 3.84Å; K159-L180 HydrophobicContact CG-CG 4.18Å
160W92.5Very high90.5Very high102 Ų10269.7 Ų69.739%0.38635%0.35SS..Hα-helixtrans-65.4-31.1-179.270.1-97.7000112.6E158 V162 Q163 I164E158-W160 VanDerWaalsContact C-N 3.29Å; E158-W160 PolarHBondContact O-N 3.24Å; E158-W160 PolarHBondContact OE2-NE1 3.01Å; W160-V162 VanDerWaalsContact C-N 3.34Å; W160-V162 PolarHBondContact O-N 2.98Å; W160-Q163 WeakPolarHBondContact O-CB 3.28Å; W160-Q163 PolarHBondContact O-N 3.2Å; W160-I164 HydrophobicContact CE3-CD1 3.47Å; W160-I164 VanDerWaalsContact CE3-CD1 3.47Å; W160-I164 HydrophobicContact CE3-CG1 4.31Å; W160-I164 HydrophobicContact CZ3-CD1 3.62Å; W160-I164 WeakPolarHBondContact O-CG1 3.46Å; W160-I164 PolarHBondContact O-N 3.11Å
161H90.8Very high90.6Very high25 Ų2570.1 Ų70.112%0.11635%0.348CS..Hα-helixtrans-61.1-46.3174.7-61.3104.7000110.9V147 M149 V156 L157 E158 K159 Q163 I164 S165V147-H161 HydrophobicContact CG1-CB 4.34Å; M149-H161 HydrophobicContact SD-CB 4.4Å; V156-H161 PolarHBondContact O-CE1 3.4Å; L157-H161 HydrophobicContact CD1-CB 4.07Å; E158-H161 PolarHBondContact N-ND1 3.25Å; E158-H161 WeakPolarHBondContact O-CB 3.36Å; E158-H161 PolarHBondContact O-N 2.92Å; E158-H161 PolarHBondContact O-ND1 3.45Å; K159-H161 VanDerWaalsContact C-N 3.3Å; K159-H161 PolarHBondContact O-N 3.09Å; H161-Q163 VanDerWaalsContact C-N 3.34Å; H161-I164 PolarHBondContact O-N 3.36Å; H161-S165 PolarHBondContact O-N 3.2Å
162V90.7Very high90.8Very high0 Ų073.9 Ų73.90%037%0.37CS..Hα-helixtrans-65.5-39.7176.6-1800000110.7V147 L157 K159 W160 S165 L166 I178 L180 F199 L213V147-V162 HydrophobicContact CG2-CG2 4.44Å; L157-V162 HydrophobicContact CD1-CG2 4.43Å; K159-V162 PolarHBondContact O-N 3.46Å; W160-V162 VanDerWaalsContact C-N 3.34Å; W160-V162 PolarHBondContact O-N 2.98Å; V162-S165 PolarHBondContact O-N 2.84Å; V162-L166 HydrophobicContact CG1-CD1 4.02Å; V162-L166 HydrophobicContact CG1-CG 4.36Å; V162-L166 WeakPolarHBondContact O-CB 3.25Å; V162-L166 WeakPolarHBondContact O-CG 2.82Å; V162-L166 PolarHBondContact O-N 3.31Å; V162-I178 HydrophobicContact CB-CD1 4.4Å; V162-I178 HydrophobicContact CB-CG2 4.36Å; V162-I178 HydrophobicContact CG1-CD1 4.28Å; V162-I178 HydrophobicContact CG1-CG2 4.15Å; V162-L180 HydrophobicContact CG2-CD2 3.94Å; V162-F199 HydrophobicContact CG1-CD2 4.16Å; V162-F199 HydrophobicContact CG1-CE1 4.48Å; V162-F199 HydrophobicContact CG1-CE2 3.48Å; V162-F199 VanDerWaalsContact CG1-CE2 3.48Å; V162-F199 HydrophobicContact CG1-CZ 3.64Å; V162-L213 HydrophobicContact CG1-CD2 4.26Å; V162-L213 HydrophobicContact CG2-CD1 4.2Å; V162-L213 HydrophobicContact CG2-CD2 4.32Å
163Q92.5Very high90.8Very high51 Ų5170.2 Ų70.224%0.23835%0.35CS..Hα-helixtrans-60.2-45.4176.3-168-167.424.400112.1K159 W160 H161 L166 R167 M173 E175 I178K159-Q163 PolarHBondContact O-N 2.81Å; W160-Q163 WeakPolarHBondContact O-CB 3.28Å; W160-Q163 PolarHBondContact O-N 3.2Å; H161-Q163 VanDerWaalsContact C-N 3.34Å; Q163-L166 PolarHBondContact O-N 3.05Å; Q163-R167 WeakPolarHBondContact O-CB 3.45Å; Q163-R167 PolarHBondContact O-N 3.21Å; Q163-M173 WeakPolarHBondContact CG-O 3.45Å; Q163-M173 PolarHBondContact NE2-O 2.92Å; Q163-E175 PolarHBondContact OE1-OE1 3.06Å; Q163-I178 HydrophobicContact CB-CD1 3.91Å; Q163-I178 HydrophobicContact CG-CD1 4.48Å
164I92.3Very high90.9Very high84 Ų8471.7 Ų71.743%0.43136%0.355SS..Hα-helixtrans-64.7-43.2177-68.4179000110.5W160 H161 R167 R168W160-I164 HydrophobicContact CE3-CD1 3.47Å; W160-I164 VanDerWaalsContact CE3-CD1 3.47Å; W160-I164 HydrophobicContact CE3-CG1 4.31Å; W160-I164 HydrophobicContact CZ3-CD1 3.62Å; W160-I164 WeakPolarHBondContact O-CG1 3.46Å; W160-I164 PolarHBondContact O-N 3.11Å; H161-I164 PolarHBondContact O-N 3.36Å; I164-R167 WeakPolarHBondContact O-CB 3.38Å; I164-R167 PolarHBondContact O-N 3.29Å; I164-R168 WeakPolarHBondContact O-CG 3.35Å; I164-R168 PolarHBondContact O-N 3.24Å
165S90.8Very high90.8Very high10 Ų1070.6 Ų70.67%0.0734%0.34CS..Hα-helixtrans-61.3-43.5175.6-81.80000112.9I146 V147 H161 V162 R167 R168 Q169I146-S165 WeakPolarHBondContact O-CB 3.42Å; I146-S165 PolarHBondContact O-OG 3.02Å; V147-S165 WeakPolarHBondContact CA-OG 3.24Å; H161-S165 PolarHBondContact O-N 3.2Å; V162-S165 PolarHBondContact O-N 2.84Å; S165-R167 VanDerWaalsContact C-N 3.31Å; S165-R167 PolarHBondContact O-N 2.88Å; S165-R168 PolarHBondContact O-N 2.91Å; S165-Q169 PolarHBondContact O-N 3.47Å; S165-Q169 VanDerWaalsContact O-N 3.16Å
166L90.8Very high90.8Very high1 Ų176.5 Ų76.51%0.00537%0.373CS..Hα-helixtrans-60-42.5173.5-78.9169.8000111.3L143 V145 V162 Q163 R168 Q169 G170 F171 M173 I178 L211L143-L166 HydrophobicContact CD2-CD2 3.92Å; V145-L166 HydrophobicContact CG1-CD2 4.36Å; V145-L166 HydrophobicContact CG1-CG 4.3Å; V145-L166 HydrophobicContact CG2-CD2 3.54Å; V145-L166 HydrophobicContact CG2-CG 4.32Å; V162-L166 HydrophobicContact CG1-CD1 4.02Å; V162-L166 HydrophobicContact CG1-CG 4.36Å; V162-L166 WeakPolarHBondContact O-CB 3.25Å; V162-L166 WeakPolarHBondContact O-CG 2.82Å; V162-L166 PolarHBondContact O-N 3.31Å; Q163-L166 PolarHBondContact O-N 3.05Å; L166-R168 VanDerWaalsContact C-N 3.35Å; L166-R168 PolarHBondContact O-N 3.25Å; L166-Q169 CarbonylContact O-C 3.56Å; L166-Q169 WeakPolarHBondContact O-CA 3.41Å; L166-Q169 PolarHBondContact O-N 2.81Å; L166-G170 PolarHBondContact O-N 3.18Å; L166-G170 VanDerWaalsContact O-N 3.11Å; L166-F171 CarbonylContact C-O 3.5Å; L166-F171 VanDerWaalsContact C-O 3.24Å; L166-F171 HydrophobicContact CB-CB 4.25Å; L166-F171 HydrophobicContact CD2-CB 4.32Å; L166-F171 PolarHBondContact O-N 2.73Å; L166-M173 HydrophobicContact CD1-SD 4.49Å; L166-I178 HydrophobicContact CD1-CD1 4.14Å; L166-L211 HydrophobicContact CD2-CD1 4.23Å
167R92.7Very high90.5Very high187 Ų18774.5 Ų74.571%0.70636%0.362SS*.Hα-helixtrans-63.1-39.5176.8-174.5176.9178.2174.90112.3Q163 I164 S165 Q169 G170 F171Q163-R167 WeakPolarHBondContact O-CB 3.45Å; Q163-R167 PolarHBondContact O-N 3.21Å; I164-R167 WeakPolarHBondContact O-CB 3.38Å; I164-R167 PolarHBondContact O-N 3.29Å; S165-R167 VanDerWaalsContact C-N 3.31Å; S165-R167 PolarHBondContact O-N 2.88Å; R167-Q169 PolarHBondContact O-N 3.39Å; R167-G170 PolarHBondContact O-N 3.47Å; R167-F171 VanDerWaalsContact CA-O 3.24Å; R167-F171 WeakPolarHBondContact CA-O 3.4Å; R167-F171 PolarHBondContact N-O 3.02Å
168R91Very high90.5Very high185 Ų18573.9 Ų73.970%0.69836%0.359SS*.Hα-helixtrans-62.3-29.8173.7-70.5-179.676.91675.4112.2I164 S165 L166 G170I164-R168 WeakPolarHBondContact O-CG 3.35Å; I164-R168 PolarHBondContact O-N 3.24Å; S165-R168 PolarHBondContact O-N 2.91Å; L166-R168 VanDerWaalsContact C-N 3.35Å; L166-R168 PolarHBondContact O-N 3.25Å; R168-G170 VanDerWaalsContact C-N 3.34Å
169Q89.2Confident90.4Very high62 Ų6272.4 Ų72.429%0.2935%0.354SS..THydrogen-bonded Turntrans-87.82.1174.7-63.6-174.1-7.400113.7L143 I144 S165 L166 R167L143-Q169 VanDerWaalsContact CD1-OE1 3.29Å; I144-Q169 PolarHBondContact O-NE2 3.45Å; I144-Q169 PolarHBondContact O-OE1 3.34Å; S165-Q169 PolarHBondContact O-N 3.47Å; S165-Q169 VanDerWaalsContact O-N 3.16Å; L166-Q169 CarbonylContact O-C 3.56Å; L166-Q169 WeakPolarHBondContact O-CA 3.41Å; L166-Q169 PolarHBondContact O-N 2.81Å; R167-Q169 PolarHBondContact O-N 3.39Å
170G90.3Very high90.2Very high64 Ų6471 Ų7166%0.6635%0.35SS*.THydrogen-bonded Turntrans95.43.5175.600000115.7L166 R167 R168L166-G170 PolarHBondContact O-N 3.18Å; L166-G170 VanDerWaalsContact O-N 3.11Å; R167-G170 PolarHBondContact O-N 3.47Å; R168-G170 VanDerWaalsContact C-N 3.34Å
171F88.8Confident89.9Confident37 Ų3768.5 Ų68.516%0.16235%0.346CS..  trans-96.7122.1176.6-68.1-86.4000111Q139 L140 L143 L166 R167Q139-F171 HydrophobicContact CB-CE1 4.47Å; Q139-F171 HydrophobicContact CB-CZ 4.09Å; L140-F171 HydrophobicContact CD2-CD1 3.79Å; L140-F171 HydrophobicContact CD2-CE1 3.75Å; L140-F171 HydrophobicContact CD2-CG 4.25Å; L140-F171 HydrophobicContact CD2-CZ 4.2Å; L140-F171 HydrophobicContact CG-CE1 4.21Å; L143-F171 HydrophobicContact CD1-CE2 3.97Å; L143-F171 HydrophobicContact CD2-CD2 3.63Å; L143-F171 HydrophobicContact CD2-CE2 3.48Å; L143-F171 VanDerWaalsContact CD2-CE2 3.48Å; L143-F171 HydrophobicContact CD2-CZ 4.28Å; L143-F171 HydrophobicContact CG-CE2 4.32Å; L166-F171 CarbonylContact C-O 3.5Å; L166-F171 VanDerWaalsContact C-O 3.24Å; L166-F171 HydrophobicContact CB-CB 4.25Å; L166-F171 HydrophobicContact CD2-CB 4.32Å; L166-F171 PolarHBondContact O-N 2.73Å; R167-F171 VanDerWaalsContact CA-O 3.24Å; R167-F171 WeakPolarHBondContact CA-O 3.4Å; R167-F171 PolarHBondContact N-O 3.02Å
172I89.9Confident89.6Confident153 Ų15379.6 Ų79.679%0.78539%0.387SS*.  trans-103.7118.2176.8-57.2173.5000107.8
173M86.7Confident89.4Confident30 Ų3087.4 Ų87.415%0.14842%0.424CS..  trans-145.9154.7-177.1-54.8-166.670.800110.8Q163 L166 C177 V201 V203Q163-M173 WeakPolarHBondContact CG-O 3.45Å; Q163-M173 PolarHBondContact NE2-O 2.92Å; L166-M173 HydrophobicContact CD1-SD 4.49Å; M173-C177 HydrophobicContact CE-CB 4.03Å; M173-V201 HydrophobicContact CE-CG1 3.23Å; M173-V201 HydrophobicContact SD-CG1 3.64Å; M173-V203 HydrophobicContact CE-CG2 3.99Å
174D90.7Very high89.2Confident112 Ų11290.7 Ų90.760%0.59945%0.448SS*.  trans-81.2152.1173.3-68.3-22.7000111.5N176 C177D174-N176 PolarHBondContact O-N 3.37Å; D174-C177 WeakPolarHBondContact O-CB 3.38Å; D174-C177 PolarHBondContact O-N 2.83Å; D174-C177 VanDerWaalsContact O-N 3.09Å
175E89.3Confident88.9Confident90 Ų9087.4 Ų87.442%0.42143%0.431SS..G310 helixtrans-61-29.2178.8-63.5-177.9-170.400112.9K159 Q163 C177 I178K159-E175 HydrophobicContact CB-CB 4.46Å; Q163-E175 PolarHBondContact OE1-OE1 3.06Å; E175-C177 PolarHBondContact O-N 3.02Å; E175-I178 PolarHBondContact O-N 2.91Å; E175-I178 VanDerWaalsContact O-N 3.08Å
176N89.3Confident88.8Confident144 Ų14490.3 Ų90.377%0.7745%0.451SS*.G310 helixtrans-63.2-23.9178.3-66.6-29.1000112.7D174 I178D174-N176 PolarHBondContact O-N 3.37Å; N176-I178 VanDerWaalsContact C-N 3.32Å
177C87.8Confident88.5Confident35 Ų3590.8 Ų90.824%0.23646%0.456CS..G310 helixtrans-78.7-15.5177.7-65.20000113M173 D174 E175 V201 V202M173-C177 HydrophobicContact CE-CB 4.03Å; D174-C177 WeakPolarHBondContact O-CB 3.38Å; D174-C177 PolarHBondContact O-N 2.83Å; D174-C177 VanDerWaalsContact O-N 3.09Å; E175-C177 PolarHBondContact O-N 3.02Å; C177-V201 CarbonylContact O-C 3.53Å; C177-V201 WeakPolarHBondContact O-CA 3.4Å; C177-V202 WeakPolarHBondContact CB-O 3.24Å; C177-V202 PolarHBondContact O-N 3.29Å; C177-V202 PolarHBondContact SG-O 3.16Å
178I89.9Confident88Confident0 Ų084.8 Ų84.80%044%0.441CS..EExtended strand (participates in β ladder)trans-98.1122.7-172.8-54.7173.6000109.6K159 V162 Q163 L166 E175 N176 L180 F199K159-I178 WeakPolarHBondContact CD-O 3.2Å; K159-I178 WeakPolarHBondContact CE-O 3.38Å; K159-I178 PolarHBondContact NZ-O 3.39Å; V162-I178 HydrophobicContact CB-CD1 4.4Å; V162-I178 HydrophobicContact CB-CG2 4.36Å; V162-I178 HydrophobicContact CG1-CD1 4.28Å; V162-I178 HydrophobicContact CG1-CG2 4.15Å; Q163-I178 HydrophobicContact CB-CD1 3.91Å; Q163-I178 HydrophobicContact CG-CD1 4.48Å; L166-I178 HydrophobicContact CD1-CD1 4.14Å; E175-I178 PolarHBondContact O-N 2.91Å; E175-I178 VanDerWaalsContact O-N 3.08Å; N176-I178 VanDerWaalsContact C-N 3.32Å; I178-L180 HydrophobicContact CG2-CD2 4.44Å; I178-F199 HydrophobicContact CG2-CD2 4.08Å; I178-F199 HydrophobicContact CG2-CE2 4.35Å
179L89.8Confident87.5Confident74 Ų7479.2 Ų79.239%0.38743%0.426SS..EExtended strand (participates in β ladder)trans-112.9106.8175.9-61176.7000109.3Y200 V202L179-Y200 PolarHBondContact N-O 3.32Å; L179-Y200 PolarHBondContact O-N 2.88Å; L179-V202 HydrophobicContact CD1-CG2 3.71Å; L179-V202 HydrophobicContact CG-CG2 4.24Å
180L88.2Confident87.1Confident46 Ų4681.6 Ų81.624%0.24144%0.439CS..  trans-78155.9174.6-67.4176.4000111.1L157 K159 V162 I178L157-L180 HydrophobicContact CD2-CD2 4.35Å; L157-L180 WeakPolarHBondContact O-CD1 3.38Å; K159-L180 HydrophobicContact CG-CD1 3.84Å; K159-L180 HydrophobicContact CG-CG 4.18Å; V162-L180 HydrophobicContact CG2-CD2 3.94Å; I178-L180 HydrophobicContact CG2-CD2 4.44Å
181P86.6Confident86.7Confident48 Ų4884.7 Ų84.731%0.31244%0.441SS..  trans-58.3157.5171.124.3-32.9000111.6E183 I185P181-E183 PolarHBondContact O-N 3.5Å; P181-I185 HydrophobicContact CG-CD1 4.07Å
182R84.6Confident86.2Confident258 Ų25884.2 Ų84.297%0.97444%0.44SS*.SBendtrans-65.9-28.6-179.2-67.2-176.7179.7-179.1-0.2113
183E86.9Confident85.6Confident164 Ų16481.1 Ų81.177%0.76642%0.422SS*.SBendtrans-78.7123.3178.4-66.4176.4-170.900109.5P181 I185P181-E183 PolarHBondContact O-N 3.5Å; E183-I185 PolarHBondContact O-N 2.95Å
184T87.1Confident84.9Confident121 Ų12183.5 Ų83.574%0.74245%0.446SS*.  trans-68.5121.3174.950.50000109.2
185I87.4Confident84.6Confident15 Ų1583.6 Ų83.68%0.07744%0.441CS..  trans-94.3111.1177.2-55162.1000107.4W155 L157 P181 E183 L192 F197 L215W155-I185 HydrophobicContact CH2-CG2 4.4Å; W155-I185 HydrophobicContact CZ3-CG2 4.22Å; L157-I185 HydrophobicContact CB-CB 4.12Å; L157-I185 HydrophobicContact CD2-CB 4.49Å; L157-I185 HydrophobicContact CD2-CD1 3.84Å; L157-I185 PolarHBondContact N-O 3.15Å; P181-I185 HydrophobicContact CG-CD1 4.07Å; E183-I185 PolarHBondContact O-N 2.95Å; I185-L192 HydrophobicContact CG2-CD1 3.9Å; I185-F197 HydrophobicContact CD1-CB 4.17Å; I185-F197 HydrophobicContact CD1-CD1 3.3Å; I185-F197 HydrophobicContact CD1-CD2 4.25Å; I185-F197 HydrophobicContact CD1-CE1 3.68Å; I185-F197 HydrophobicContact CD1-CG 3.61Å; I185-F197 HydrophobicContact CD1-CZ 4.32Å; I185-F197 HydrophobicContact CG1-CD1 4.06Å; I185-F197 HydrophobicContact CG1-CE1 3.95Å; I185-F197 HydrophobicContact CG2-CE1 4.45Å; I185-F197 HydrophobicContact CG2-CZ 4.25Å; I185-L215 HydrophobicContact CG2-CD1 3.86Å
186S88.5Confident84.3Confident70 Ų7084.6 Ų84.649%0.4945%0.449SS..EExtended strand (participates in β ladder)trans-118.1139.1177.757.90000110.7W155 L192W155-S186 WeakPolarHBondContact O-CA 3.42Å; S186-L192 WeakPolarHBondContact O-CD1 3.41Å
187G84.6Confident84.1Confident12 Ų1279.2 Ų79.212%0.12442%0.419CS..EExtended strand (participates in β ladder)trans-128.1-179.8173.700000111.9P154 W155P154-G187 WeakPolarHBondContact CA-O 3.36Å; W155-G187 PolarHBondContact N-O 3.22Å; W155-G187 VanDerWaalsContact N-O 3.1Å; W155-G187 PolarHBondContact O-N 3.48Å
188P80.6Confident84Confident60 Ų6086 Ų8639%0.3944%0.439SS..SBendcis-77.2127.96.430.1-37000112.9F151F151-P188 WeakPolarHBondContact O-CB 3.48Å; F151-P188 WeakPolarHBondContact O-CG 3.45Å
189N81.2Confident83.8Confident68 Ų6886 Ų8636%0.36444%0.439SS..  trans-140.3120.8170.8-176.6-2.9000109.1D191 L192N189-D191 PolarHBondContact O-N 3.02Å; N189-D191 WeakPolarHBondContact OD1-CB 3.33Å; N189-D191 PolarHBondContact OD1-N 2.89Å; N189-D191 PolarHBondContact OD1-OD2 3.11Å; N189-L192 HydrophobicContact CB-CD1 3.89Å; N189-L192 HydrophobicContact CB-CG 3.95Å; N189-L192 PolarHBondContact O-N 2.91Å; N189-L192 VanDerWaalsContact O-N 3.13Å
190I80.1Confident83.7Confident113 Ų11387.5 Ų87.558%0.57944%0.44SS*.G310 helixtrans-62-31.1-178.1-59.7168.6000110.6F151 L192 E193F151-I190 HydrophobicContact CE2-CG1 4.06Å; F151-I190 HydrophobicContact CZ-CG1 4.4Å; I190-L192 PolarHBondContact O-N 2.96Å; I190-L192 VanDerWaalsContact O-N 3.15Å; I190-E193 VanDerWaalsContact O-CB 3.29Å; I190-E193 WeakPolarHBondContact O-CB 3.29Å; I190-E193 PolarHBondContact O-N 3.14Å
191D81.8Confident83.6Confident129 Ų12985.3 Ų85.369%0.6943%0.429SS*.G310 helixtrans-66.7-16.9179.4-61.1-33000113.4N189N189-D191 PolarHBondContact O-N 3.02Å; N189-D191 WeakPolarHBondContact OD1-CB 3.33Å; N189-D191 PolarHBondContact OD1-N 2.89Å; N189-D191 PolarHBondContact OD1-OD2 3.11Å
192L80.3Confident83.5Confident27 Ų2784.4 Ų84.414%0.14142%0.423CS..G310 helixtrans-90.8-13.4177.4-53.9177.6000112.1I185 S186 N189 I190 A194 K195 F197 L215I185-L192 HydrophobicContact CG2-CD1 3.9Å; S186-L192 WeakPolarHBondContact O-CD1 3.41Å; N189-L192 HydrophobicContact CB-CD1 3.89Å; N189-L192 HydrophobicContact CB-CG 3.95Å; N189-L192 PolarHBondContact O-N 2.91Å; N189-L192 VanDerWaalsContact O-N 3.13Å; I190-L192 PolarHBondContact O-N 2.96Å; I190-L192 VanDerWaalsContact O-N 3.15Å; L192-A194 PolarHBondContact O-N 3.1Å; L192-K195 HydrophobicContact CD2-CD 4.48Å; L192-K195 WeakPolarHBondContact O-CB 3.45Å; L192-K195 PolarHBondContact O-N 3.29Å; L192-K195 VanDerWaalsContact O-N 3.14Å; L192-F197 HydrophobicContact CD2-CZ 3.89Å; L192-L215 HydrophobicContact CB-CD1 4.2Å
193E75.7Confident83Confident88 Ų8873.2 Ų73.241%0.41138%0.383SS..THydrogen-bonded Turntrans-64.6132.3178-165.9174.9-173.300110I190 K195I190-E193 VanDerWaalsContact O-CB 3.29Å; I190-E193 WeakPolarHBondContact O-CB 3.29Å; I190-E193 PolarHBondContact O-N 3.14Å; E193-K195 PolarHBondContact O-N 3.46Å
194A73.1Confident82.2Confident79 Ų7969 Ų6965%0.65337%0.372SS*.THydrogen-bonded Turntrans60.75.5-173.500000115.9L192 L215L192-A194 PolarHBondContact O-N 3.1Å; A194-L215 PolarHBondContact N-O 2.61Å
195K83.2Confident81.1Confident115 Ų11566.4 Ų66.450%0.537%0.369SS..PPolyproline II helixtrans-75.8137.3171.6-167169.7-177.5178.20110.1L192 E193 F197L192-K195 HydrophobicContact CD2-CD 4.48Å; L192-K195 WeakPolarHBondContact O-CB 3.45Å; L192-K195 PolarHBondContact O-N 3.29Å; L192-K195 VanDerWaalsContact O-N 3.14Å; E193-K195 PolarHBondContact O-N 3.46Å; K195-F197 HydrophobicContact CB-CE2 3.92Å; K195-F197 HydrophobicContact CB-CZ 4.16Å; K195-F197 HydrophobicContact CD-CE1 4.45Å; K195-F197 HydrophobicContact CD-CZ 3.92Å; K195-F197 HydrophobicContact CG-CE2 4.16Å; K195-F197 HydrophobicContact CG-CZ 4.03Å
196L83.8Confident80Confident111 Ų11172.9 Ų72.958%0.58140%0.403SS*.EExtended strand (participates in β ladder)trans-92.8117.5-178.1-62.4178.9000110.5V212 L213 P214L196-V212 HydrophobicContact CB-CG1 3.64Å; L196-V212 HydrophobicContact CD1-CG1 4.15Å; L196-V212 HydrophobicContact CD2-CG1 3.79Å; L196-V212 HydrophobicContact CG-CG1 4.05Å; L196-L213 WeakPolarHBondContact CA-O 3.34Å; L196-P214 HydrophobicContact CD2-CB 4.1Å
197F84.5Confident78.9Confident30 Ų3072.4 Ų72.413%0.13240%0.395CS..EExtended strand (participates in β ladder)trans-101.3134.9173.3-61.7-85.6000110.4I185 L192 K195 V212 L213 L215I185-F197 HydrophobicContact CD1-CB 4.17Å; I185-F197 HydrophobicContact CD1-CD1 3.3Å; I185-F197 HydrophobicContact CD1-CD2 4.25Å; I185-F197 HydrophobicContact CD1-CE1 3.68Å; I185-F197 HydrophobicContact CD1-CG 3.61Å; I185-F197 HydrophobicContact CD1-CZ 4.32Å; I185-F197 HydrophobicContact CG1-CD1 4.06Å; I185-F197 HydrophobicContact CG1-CE1 3.95Å; I185-F197 HydrophobicContact CG2-CE1 4.45Å; I185-F197 HydrophobicContact CG2-CZ 4.25Å; L192-F197 HydrophobicContact CD2-CZ 3.89Å; K195-F197 HydrophobicContact CB-CE2 3.92Å; K195-F197 HydrophobicContact CB-CZ 4.16Å; K195-F197 HydrophobicContact CD-CE1 4.45Å; K195-F197 HydrophobicContact CD-CZ 3.92Å; K195-F197 HydrophobicContact CG-CE2 4.16Å; K195-F197 HydrophobicContact CG-CZ 4.03Å; F197-V212 CarbonylContact O-C 3.57Å; F197-V212 WeakPolarHBondContact O-CA 3.36Å; F197-L213 HydrophobicContact CB-CB 4.34Å; F197-L213 HydrophobicContact CB-CD1 4.5Å; F197-L213 PolarHBondContact N-O 3.2Å; F197-L213 PolarHBondContact O-N 3.02Å; F197-L215 HydrophobicContact CD2-CD1 3.9Å; F197-L215 HydrophobicContact CD2-CG 4.05Å; F197-L215 HydrophobicContact CE2-CD1 3.44Å; F197-L215 VanDerWaalsContact CE2-CD1 3.44Å; F197-L215 HydrophobicContact CE2-CG 3.99Å; F197-L215 HydrophobicContact CZ-CD1 4.22Å
198R85.7Confident78.5Confident178 Ų17876.8 Ų76.867%0.67242%0.415SS*.EExtended strand (participates in β ladder)trans-92131.1172.5-68.7-178.6-178.6-177.90.2109.1T210 L211R198-T210 HydrophobicContact CB-CG2 4.23Å; R198-T210 HydrophobicContact CG-CG2 4.23Å; R198-L211 WeakPolarHBondContact CA-O 3.4Å
199F86.5Confident78.1Confident0 Ų074.6 Ų74.60%040%0.399CS..EExtended strand (participates in β ladder)trans-132.3163.9170.173.9-74.7000109.3V145 V162 I178 V201 L211 L213V145-F199 HydrophobicContact CB-CE1 4.39Å; V145-F199 HydrophobicContact CB-CZ 4.33Å; V145-F199 HydrophobicContact CG2-CE1 4.44Å; V145-F199 HydrophobicContact CG2-CZ 4.1Å; V162-F199 HydrophobicContact CG1-CD2 4.16Å; V162-F199 HydrophobicContact CG1-CE1 4.48Å; V162-F199 HydrophobicContact CG1-CE2 3.48Å; V162-F199 VanDerWaalsContact CG1-CE2 3.48Å; V162-F199 HydrophobicContact CG1-CZ 3.64Å; I178-F199 HydrophobicContact CG2-CD2 4.08Å; I178-F199 HydrophobicContact CG2-CE2 4.35Å; F199-V201 HydrophobicContact CD2-CG2 3.92Å; F199-V201 HydrophobicContact CE2-CG2 3.45Å; F199-V201 VanDerWaalsContact CE2-CG2 3.45Å; F199-V201 HydrophobicContact CZ-CG2 4.4Å; F199-L211 HydrophobicContact CD1-CB 3.69Å; F199-L211 WeakPolarHBondContact CD1-O 3.34Å; F199-L211 HydrophobicContact CD2-CB 4.39Å; F199-L211 HydrophobicContact CE1-CB 3.11Å; F199-L211 HydrophobicContact CE1-CD1 4.13Å; F199-L211 HydrophobicContact CE1-CG 4.23Å; F199-L211 HydrophobicContact CE2-CB 3.92Å; F199-L211 HydrophobicContact CE2-CD1 3.7Å; F199-L211 HydrophobicContact CE2-CG 4.31Å; F199-L211 HydrophobicContact CG-CB 4.32Å; F199-L211 HydrophobicContact CZ-CB 3.3Å; F199-L211 HydrophobicContact CZ-CD1 3.37Å; F199-L211 HydrophobicContact CZ-CG 3.93Å; F199-L211 PolarHBondContact N-O 3.1Å; F199-L211 PolarHBondContact O-N 3.47Å; F199-L213 HydrophobicContact CB-CD1 4.21Å; F199-L213 HydrophobicContact CD1-CD1 3.24Å; F199-L213 HydrophobicContact CD1-CD2 3.88Å; F199-L213 HydrophobicContact CD1-CG 3.28Å; F199-L213 HydrophobicContact CE1-CD1 3.63Å; F199-L213 HydrophobicContact CE1-CD2 3.3Å; F199-L213 HydrophobicContact CE1-CG 3.2Å; F199-L213 HydrophobicContact CG-CD1 3.84Å; F199-L213 HydrophobicContact CG-CG 4.33Å; F199-L213 HydrophobicContact CZ-CD1 4.48Å; F199-L213 HydrophobicContact CZ-CD2 3.84Å; F199-L213 HydrophobicContact CZ-CG 4.19Å
200Y87.4Confident77.8Confident105 Ų10573.7 Ų73.741%0.41240%0.396SS..EExtended strand (participates in β ladder)trans-115.5140.2-177-56.8-83.4000110.8L179 I208 Y209 T210L179-Y200 PolarHBondContact N-O 3.32Å; L179-Y200 PolarHBondContact O-N 2.88Å; Y200-I208 HydrophobicContact CD1-CG2 3.73Å; Y200-I208 HydrophobicContact CG-CG2 4Å; Y200-Y209 CarbonylContact C-O 3.57Å; Y200-Y209 VanDerWaalsContact CA-O 3.25Å; Y200-Y209 WeakPolarHBondContact CA-O 3.39Å; Y200-T210 HydrophobicContact CE1-CG2 4.18Å; Y200-T210 VanDerWaalsContact CE1-OG1 3.28Å; Y200-T210 WeakPolarHBondContact CE1-OG1 3.46Å
201V86.1Confident77.5Confident0 Ų068.4 Ų68.40%037%0.368CS..EExtended strand (participates in β ladder)trans-119.5128174.4175.30000108.9M173 C177 F199 V203 Y209 L211M173-V201 HydrophobicContact CE-CG1 3.23Å; M173-V201 HydrophobicContact SD-CG1 3.64Å; C177-V201 CarbonylContact O-C 3.53Å; C177-V201 WeakPolarHBondContact O-CA 3.4Å; F199-V201 HydrophobicContact CD2-CG2 3.92Å; F199-V201 HydrophobicContact CE2-CG2 3.45Å; F199-V201 VanDerWaalsContact CE2-CG2 3.45Å; F199-V201 HydrophobicContact CZ-CG2 4.4Å; V201-V203 HydrophobicContact CG1-CG2 4.28Å; V201-Y209 PolarHBondContact N-O 3.3Å; V201-Y209 PolarHBondContact O-N 3.15Å; V201-L211 HydrophobicContact CB-CD1 4.31Å; V201-L211 HydrophobicContact CG2-CD1 3.52Å; V201-L211 HydrophobicContact CG2-CG 4.22Å
202V84.5Confident77.3Confident30 Ų3064.2 Ų64.218%0.18235%0.347CS..EExtended strand (participates in β ladder)trans-99.2119.3179-173.30000109.6C177 L179 N207 I208C177-V202 WeakPolarHBondContact CB-O 3.24Å; C177-V202 PolarHBondContact O-N 3.29Å; C177-V202 PolarHBondContact SG-O 3.16Å; L179-V202 HydrophobicContact CD1-CG2 3.71Å; L179-V202 HydrophobicContact CG-CG2 4.24Å; V202-N207 WeakPolarHBondContact CA-O 3.38Å; V202-I208 HydrophobicContact CG2-CG1 4.33Å
203V75Confident77.1Confident23 Ų2363 Ų6314%0.13934%0.341CS..EExtended strand (participates in β ladder)trans-110.8132.3176.1-177.50000109.3L140 M173 V201 G205 L206 N207 Y209L140-V203 HydrophobicContact CD1-CG2 3.93Å; M173-V203 HydrophobicContact CE-CG2 3.99Å; V201-V203 HydrophobicContact CG1-CG2 4.28Å; V203-G205 PolarHBondContact O-N 3.04Å; V203-G205 VanDerWaalsContact O-N 3.08Å; V203-L206 PolarHBondContact O-N 3.05Å; V203-N207 PolarHBondContact N-O 3.08Å; V203-N207 PolarHBondContact O-N 3.14Å; V203-Y209 HydrophobicContact CB-CD2 4.29Å; V203-Y209 HydrophobicContact CB-CE2 3.7Å; V203-Y209 HydrophobicContact CG2-CD2 3.68Å; V203-Y209 HydrophobicContact CG2-CE2 3.51Å
204S69.2Low77Confident75 Ų7560 Ų6052%0.52433%0.329SS..THydrogen-bonded Turntrans5718.7-178.9-52.40000115.2E133 L206E133-S204 VanDerWaalsContact OE1-CB 3.3Å; E133-S204 WeakPolarHBondContact OE1-CB 3.36Å; E133-S204 PolarHBondContact OE1-OG 3.46Å; S204-L206 PolarHBondContact O-N 3.13Å
205G64.6Low76.8Confident67 Ų6756.5 Ų56.569%0.69130%0.299SS*.THydrogen-bonded Turntrans72-0.2179.400000115.9V203V203-G205 PolarHBondContact O-N 3.04Å; V203-G205 VanDerWaalsContact O-N 3.08Å
206L64.3Low75.9Confident150 Ų15056.2 Ų56.279%0.78530%0.301SS*.THydrogen-bonded Turntrans-120.9-34.4-175.1-68.2171.6000113.2V203 S204V203-L206 PolarHBondContact O-N 3.05Å; S204-L206 PolarHBondContact O-N 3.13Å
207N65.7Low74.9Confident60 Ų6052 Ų5232%0.32128%0.28SS..EExtended strand (participates in β ladder)trans-106.4124.8-172.6-62.6-57.2000111V202 V203 Y209V202-N207 WeakPolarHBondContact CA-O 3.38Å; V203-N207 PolarHBondContact N-O 3.08Å; V203-N207 PolarHBondContact O-N 3.14Å; N207-Y209 HydrophobicContact CB-CE1 4.06Å; N207-Y209 HydrophobicContact CB-CE2 4.01Å; N207-Y209 VanDerWaalsContact CB-OH 3.25Å; N207-Y209 WeakPolarHBondContact CB-OH 3.4Å
208I74.2Confident73.8Confident105 Ų10557.2 Ų57.254%0.53830%0.3SS..EExtended strand (participates in β ladder)trans-105.2116.7178.5-52.7-179.7000108.6Y200 V202Y200-I208 HydrophobicContact CD1-CG2 3.73Å; Y200-I208 HydrophobicContact CG-CG2 4Å; V202-I208 HydrophobicContact CG2-CG1 4.33Å
209Y74Confident72.3Confident14 Ų1452.5 Ų52.56%0.05529%0.291CS..EExtended strand (participates in β ladder)trans-104.6137.7177.7-56.2-56.8000110.8S137 L140 H141 Y200 V201 V203 N207S137-Y209 VanDerWaalsContact CB-CE1 3.5Å; S137-Y209 VanDerWaalsContact CB-CZ 3.41Å; S137-Y209 VanDerWaalsContact CB-OH 3.31Å; S137-Y209 WeakPolarHBondContact CB-OH 3.29Å; S137-Y209 WeakPolarHBondContact OG-CE1 3.47Å; L140-Y209 HydrophobicContact CD1-CD2 3.75Å; L140-Y209 HydrophobicContact CD1-CE2 4.25Å; H141-Y209 AromaticContact CD2-CD1 3.82Å; H141-Y209 AromaticContact NE2-CD1 3.45Å; H141-Y209 WeakPolarHBondContact NE2-CD1 3.36Å; Y200-Y209 CarbonylContact C-O 3.57Å; Y200-Y209 VanDerWaalsContact CA-O 3.25Å; Y200-Y209 WeakPolarHBondContact CA-O 3.39Å; V201-Y209 PolarHBondContact N-O 3.3Å; V201-Y209 PolarHBondContact O-N 3.15Å; V203-Y209 HydrophobicContact CB-CD2 4.29Å; V203-Y209 HydrophobicContact CB-CE2 3.7Å; V203-Y209 HydrophobicContact CG2-CD2 3.68Å; V203-Y209 HydrophobicContact CG2-CE2 3.51Å; N207-Y209 HydrophobicContact CB-CE1 4.06Å; N207-Y209 HydrophobicContact CB-CE2 4.01Å; N207-Y209 VanDerWaalsContact CB-OH 3.25Å; N207-Y209 WeakPolarHBondContact CB-OH 3.4Å
210T73.7Confident70.8Confident49 Ų4958.4 Ų58.430%0.30132%0.322SS..EExtended strand (participates in β ladder)trans-91.7120.1175.6-53.20000108.9R198 Y200R198-T210 HydrophobicContact CB-CG2 4.23Å; R198-T210 HydrophobicContact CG-CG2 4.23Å; Y200-T210 HydrophobicContact CE1-CG2 4.18Å; Y200-T210 VanDerWaalsContact CE1-OG1 3.28Å; Y200-T210 WeakPolarHBondContact CE1-OG1 3.46Å
211L75Confident68.5Low1 Ų165.6 Ų65.61%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-111.7153.4174.3-66-174.5000109.9L140 L143 V145 L166 R198 F199 V201L140-L211 HydrophobicContact CB-CD2 4.13Å; L140-L211 HydrophobicContact CD2-CD1 4.36Å; L140-L211 WeakPolarHBondContact O-CD2 3.25Å; L143-L211 HydrophobicContact CB-CD2 4.33Å; V145-L211 HydrophobicContact CG2-CD1 4.29Å; L166-L211 HydrophobicContact CD2-CD1 4.23Å; R198-L211 WeakPolarHBondContact CA-O 3.4Å; F199-L211 HydrophobicContact CD1-CB 3.69Å; F199-L211 WeakPolarHBondContact CD1-O 3.34Å; F199-L211 HydrophobicContact CD2-CB 4.39Å; F199-L211 HydrophobicContact CE1-CB 3.11Å; F199-L211 HydrophobicContact CE1-CD1 4.13Å; F199-L211 HydrophobicContact CE1-CG 4.23Å; F199-L211 HydrophobicContact CE2-CB 3.92Å; F199-L211 HydrophobicContact CE2-CD1 3.7Å; F199-L211 HydrophobicContact CE2-CG 4.31Å; F199-L211 HydrophobicContact CG-CB 4.32Å; F199-L211 HydrophobicContact CZ-CB 3.3Å; F199-L211 HydrophobicContact CZ-CD1 3.37Å; F199-L211 HydrophobicContact CZ-CG 3.93Å; F199-L211 PolarHBondContact N-O 3.1Å; F199-L211 PolarHBondContact O-N 3.47Å; V201-L211 HydrophobicContact CB-CD1 4.31Å; V201-L211 HydrophobicContact CG2-CD1 3.52Å; V201-L211 HydrophobicContact CG2-CG 4.22Å
212V76.1Confident67.7Low41 Ų4168.9 Ų68.925%0.24837%0.374CS..EExtended strand (participates in β ladder)trans-116.5128.1-179-171.70000109.8V145 L196 F197V145-V212 PolarHBondContact N-O 3.21Å; L196-V212 HydrophobicContact CB-CG1 3.64Å; L196-V212 HydrophobicContact CD1-CG1 4.15Å; L196-V212 HydrophobicContact CD2-CG1 3.79Å; L196-V212 HydrophobicContact CG-CG1 4.05Å; F197-V212 CarbonylContact O-C 3.57Å; F197-V212 WeakPolarHBondContact O-CA 3.36Å
213L76.1Confident66.8Low1 Ų170.9 Ų70.91%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-107.8114.4179.1-59.2156000109.7V145 V147 L157 V162 L196 F197 F199V145-L213 HydrophobicContact CB-CD2 3.58Å; V145-L213 HydrophobicContact CG1-CD2 3.63Å; V145-L213 WeakPolarHBondContact O-CA 3.45Å; V145-L213 WeakPolarHBondContact O-CD2 3.19Å; V147-L213 HydrophobicContact CG2-CD2 3.5Å; L157-L213 HydrophobicContact CD2-CD1 4.45Å; V162-L213 HydrophobicContact CG1-CD2 4.26Å; V162-L213 HydrophobicContact CG2-CD1 4.2Å; V162-L213 HydrophobicContact CG2-CD2 4.32Å; L196-L213 WeakPolarHBondContact CA-O 3.34Å; F197-L213 HydrophobicContact CB-CB 4.34Å; F197-L213 HydrophobicContact CB-CD1 4.5Å; F197-L213 PolarHBondContact N-O 3.2Å; F197-L213 PolarHBondContact O-N 3.02Å; F199-L213 HydrophobicContact CB-CD1 4.21Å; F199-L213 HydrophobicContact CD1-CD1 3.24Å; F199-L213 HydrophobicContact CD1-CD2 3.88Å; F199-L213 HydrophobicContact CD1-CG 3.28Å; F199-L213 HydrophobicContact CE1-CD1 3.63Å; F199-L213 HydrophobicContact CE1-CD2 3.3Å; F199-L213 HydrophobicContact CE1-CG 3.2Å; F199-L213 HydrophobicContact CG-CD1 3.84Å; F199-L213 HydrophobicContact CG-CG 4.33Å; F199-L213 HydrophobicContact CZ-CD1 4.48Å; F199-L213 HydrophobicContact CZ-CD2 3.84Å; F199-L213 HydrophobicContact CZ-CG 4.19Å
214P74.2Confident66.3Low25 Ų2573.6 Ų73.616%0.16240%0.397CS..EExtended strand (participates in β ladder)trans-77.5127.4152.528.9-34.7000109.1I144 V145 I146 V147 L196I144-P214 HydrophobicContact CG2-CG 3.6Å; V145-P214 VanDerWaalsContact O-CD 3.29Å; V145-P214 WeakPolarHBondContact O-CD 3.3Å; I146-P214 HydrophobicContact CG1-CG 3.99Å; V147-P214 PolarHBondContact N-O 2.81Å; L196-P214 HydrophobicContact CD2-CB 4.1Å
215L69.5Low66.2Low6 Ų673.5 Ų73.53%0.03139%0.39CS..EExtended strand (participates in β ladder)trans-81.9125.5165.1-72175.4000109V147 M149 W155 L157 I185 L192 A194 F197V147-L215 HydrophobicContact CB-CD2 4.1Å; V147-L215 HydrophobicContact CG1-CD2 4.35Å; M149-L215 HydrophobicContact CG-CD2 4.36Å; W155-L215 HydrophobicContact CH2-CD1 3.84Å; W155-L215 HydrophobicContact CH2-CD2 4.33Å; L157-L215 HydrophobicContact CD1-CD2 4.42Å; I185-L215 HydrophobicContact CG2-CD1 3.86Å; L192-L215 HydrophobicContact CB-CD1 4.2Å; A194-L215 PolarHBondContact N-O 2.61Å; F197-L215 HydrophobicContact CD2-CD1 3.9Å; F197-L215 HydrophobicContact CD2-CG 4.05Å; F197-L215 HydrophobicContact CE2-CD1 3.44Å; F197-L215 VanDerWaalsContact CE2-CD1 3.44Å; F197-L215 HydrophobicContact CE2-CG 3.99Å; F197-L215 HydrophobicContact CZ-CD1 4.22Å
216M65Low66.3Low110 Ų11073.9 Ų73.954%0.54237%0.371SS..EExtended strand (participates in β ladder)trans-120.2117.3174-163.1159.5-17500108.4I146 V147 N148 M149I146-M216 HydrophobicContact CG2-CB 4.1Å; V147-M216 PolarHBondContact O-N 3.16Å; V147-M216 VanDerWaalsContact O-N 3.1Å; N148-M216 WeakPolarHBondContact CA-O 3.41Å; M149-M216 PolarHBondContact N-O 2.96Å; M149-M216 VanDerWaalsContact N-O 3.14Å
217T61.7Low66.4Low23 Ų2368.9 Ų68.914%0.14134%0.343CS..EExtended strand (participates in β ladder)trans-83.7133.1173.441.10000109.2M149 F151M149-T217 WeakPolarHBondContact O-CA 3.45Å; F151-T217 HydrophobicContact CD2-CG2 4.36Å
218Y61.8Low66.4Low138 Ų13869.5 Ų69.554%0.54135%0.345SS..EExtended strand (participates in β ladder)trans-118.3144.9171-167.4-101.5000109.6M149 F151M149-Y218 PolarHBondContact O-N 2.89Å; M149-Y218 VanDerWaalsContact O-N 3.08Å; F151-Y218 PolarHBondContact N-O 2.89Å; F151-Y218 VanDerWaalsContact N-O 3.16Å
219V54.5Low65.8Low79 Ų7966.8 Ų66.848%0.47933%0.33SS..  trans-94.5107.2170.7-179.90000106.1F151 K221F151-V219 HydrophobicContact CB-CG2 4.14Å; F151-V219 HydrophobicContact CG-CG2 4.48Å; V219-K221 PolarHBondContact O-N 3.14Å; V219-K221 VanDerWaalsContact O-N 3.14Å
220D55.2Low65.2Low124 Ų12471.2 Ų71.266%0.66335%0.353SS*.  trans-63.7114.5172.6-75.3-27.6000107.8
221K39.3Very low64.4Low257 Ų25773.2 Ų73.2100%1.11736%0.358SS*.  trans-85.80175.3-73.7-172.3179.1-178.90111.7V219V219-K221 PolarHBondContact O-N 3.14Å; V219-K221 VanDerWaalsContact O-N 3.14Å

Retrieved 221 of 221 residues in 101.4 ms (Link to these results)