A0A077Z4P1_TRITR Loading...

Ephrin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4P1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 350 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
1M30.2Very low42Very low249 Ų249127.3 Ų127.3100%1.22771%0.713SS**  0102.80-76.7161.8153.300108.2
2S32.5Very low41.4Very low119 Ų119129.8 Ų129.883%0.83272%0.715SS**  trans-100.195.8173-175.30000107.3R4S2-R4 PolarHBondContact O-N 3.3Å
3A39.6Very low40.7Very low76 Ų76129 Ų12963%0.62872%0.719SS**  trans-72.3117.7170.300000107.7C5A3-C5 PolarHBondContact O-N 2.9Å
4R44.4Very low40.1Very low238 Ų238129.7 Ų129.790%0.89872%0.72SS**  trans-75117.1173.3-76.4-177.1-178.4-177.80.4108.5S2 S6S2-R4 PolarHBondContact O-N 3.3Å; R4-S6 PolarHBondContact O-N 3Å
5C48.2Very low39.8Very low33 Ų33127.9 Ų127.922%0.22372%0.716CS.*  trans-71.8113.5165.1-65.60000109.1A3 C84 R116A3-C5 PolarHBondContact O-N 2.9Å; C5-C84 HydrophobicContact CB-CB 3.43Å; C5-C84 VanDerWaalsContact CB-CB 3.43Å; C5-C84 WeakPolarHBondContact CB-SG 3.3Å; C5-C84 WeakPolarHBondContact SG-CB 3.47Å; C5-R116 PolarHBondContact O-NH2 2.74Å
6S45.2Very low39.5Very low123 Ų123128 Ų12886%0.8672%0.724SS**  trans-100.786.7170.5-156.40000107.9R4R4-S6 PolarHBondContact O-N 3Å
7L51.1Low39Very low69 Ų69130.8 Ų130.836%0.36172%0.722SS.*  trans-75.8118.7162-84.4158.9000106.5D9 C84 Q86L7-D9 PolarHBondContact O-N 3.03Å; L7-C84 HydrophobicContact CD1-CB 3.89Å; L7-C84 VanDerWaalsContact CD1-SG 3.52Å; L7-C84 HydrophobicContact CG-CB 4.16Å; L7-Q86 HydrophobicContact CD1-CB 4.24Å
8A45.6Very low38.6Very low91 Ų91130.5 Ų130.575%0.75272%0.719SS**  trans-62.1118.5164.500000107.2S10A8-S10 PolarHBondContact O-N 3.12Å
9D39.9Very low38.4Very low122 Ų122134.1 Ų134.165%0.65273%0.727SS**  trans-65.6103.9177.1-172.2-0.3000108.8L7 R11L7-D9 PolarHBondContact O-N 3.03Å; D9-R11 PolarHBondContact O-N 3Å; D9-R11 PolarHBondContact OD1-N 3.01Å; D9-R11 VanDerWaalsContact OD1-N 3.16Å
10S39.6Very low38.6Very low108 Ų108131.3 Ų131.376%0.75572%0.723SS**THydrogen-bonded Turntrans-80.47.6-178.6179.50000112.6A8A8-S10 PolarHBondContact O-N 3.12Å
11R46Very low38.7Very low172 Ų172130 Ų13065%0.64972%0.719SS**THydrogen-bonded Turntrans-122.325.3-172.2-62.3-169.2-171.5173.26.4114.7D9 D89D9-R11 PolarHBondContact O-N 3Å; D9-R11 PolarHBondContact OD1-N 3.01Å; D9-R11 VanDerWaalsContact OD1-N 3.16Å; R11-D89 IonicContact CZ-OD2 3.83Å; R11-D89 IonicContact NH1-OD2 2.81Å; R11-D89 PolarHBondContact NH1-OD2 2.71Å
12Q34.5Very low38.8Very low158 Ų158122.3 Ų122.374%0.73870%0.704SS**SBendtrans-69.1136.2159.1-70.2-159.6-54.300109.5L14Q12-L14 PolarHBondContact O-N 2.96Å
13P32.5Very low38.9Very low119 Ų119124.9 Ų124.977%0.77370%0.703SS**PPolyproline II helixtrans-60.6124.9178.421.4-25.7000108.6
14L32.8Very low38.8Very low139 Ų139128.9 Ų128.973%0.72871%0.713SS**PPolyproline II helixtrans-58131.8176-70.5166.6000108.4Q12 Y17Q12-L14 PolarHBondContact O-N 2.96Å; L14-Y17 HydrophobicContact CD1-CE2 4.46Å
15P34.5Very low38.5Very low103 Ų103122.5 Ų122.567%0.66970%0.702SS**PPolyproline II helixtrans-58152.716626.2-32.4000109.4Y17P15-Y17 PolarHBondContact O-N 3.27Å
16P35.6Very low37.9Very low129 Ų129128.5 Ų128.584%0.83873%0.731SS**PPolyproline II helixtrans-55.5129.5-175.722.8-32.1000110.3D18P16-D18 PolarHBondContact O-N 2.8Å; P16-D18 VanDerWaalsContact O-N 3.12Å
17Y31.6Very low37.3Very low175 Ų175133.9 Ų133.969%0.68673%0.733SS**  trans-58.9111.6178.6-108.9-93.4000110L14 P15L14-Y17 HydrophobicContact CD1-CE2 4.46Å; P15-Y17 PolarHBondContact O-N 3.27Å
18D30.2Very low36.6Very low126 Ų126135.8 Ų135.867%0.67475%0.747SS**  trans-81.7113.8165.6-165.1-14.7000108.4P16 A20P16-D18 PolarHBondContact O-N 2.8Å; P16-D18 VanDerWaalsContact O-N 3.12Å; D18-A20 PolarHBondContact O-N 3.24Å; D18-A20 VanDerWaalsContact O-N 3.14Å; D18-A20 PolarHBondContact OD1-N 2.9Å
19F36.3Very low35.9Very low198 Ų198139 Ų13987%0.86875%0.751SS**THydrogen-bonded Turntrans-74.47.5-174.8-111.3-91.5000113.7
20A40.7Very low35.6Very low79 Ų79138 Ų13865%0.65375%0.752SS**THydrogen-bonded Turntrans-87.2-11.7-171.300000115.9D18D18-A20 PolarHBondContact O-N 3.24Å; D18-A20 VanDerWaalsContact O-N 3.14Å; D18-A20 PolarHBondContact OD1-N 2.9Å
21T41.7Very low35.3Very low103 Ų103138.1 Ų138.163%0.63275%0.748SS**  trans-13499.5-178.650.90000110.9Q23T21-Q23 PolarHBondContact O-N 3.18Å
22G32Very low34.9Very low89 Ų89137.6 Ų137.692%0.91876%0.757SS**  trans-67.162.4179.500000114.6
23Q35.7Very low35.3Very low172 Ų172134.8 Ų134.880%0.80475%0.751SS**  trans-116.4112.6176.8-105.5163.3-23.900110T21T21-Q23 PolarHBondContact O-N 3.18Å
24L36.5Very low35.8Very low161 Ų161133.8 Ų133.884%0.84375%0.746SS**  trans-56.9138.9167.7-94.585.4000109.9L26L24-L26 PolarHBondContact O-N 2.73Å; L24-L26 VanDerWaalsContact O-N 3.09Å
25P37.6Very low36Very low103 Ų103133.7 Ų133.767%0.66975%0.746SS**  trans-72.5108.2172.729.7-30.5000108.9R27P25-R27 PolarHBondContact O-N 3.31Å; P25-R27 VanDerWaalsContact O-N 3.12Å
26L35.3Very low36.4Very low160 Ų160133.1 Ų133.184%0.83874%0.741SS**  trans-56.9113.8163.2-98.8132.3000108.2L24 V28L24-L26 PolarHBondContact O-N 2.73Å; L24-L26 VanDerWaalsContact O-N 3.09Å; L26-V28 VanDerWaalsContact C-N 3.33Å; L26-V28 PolarHBondContact O-N 3.19Å
27R34.3Very low36.5Very low236 Ų236133.2 Ų133.289%0.89174%0.739SS**  trans-65.995.4166.4-78.6-173.8168.1-175.3-2.8108.3P25 L29P25-R27 PolarHBondContact O-N 3.31Å; P25-R27 VanDerWaalsContact O-N 3.12Å; R27-L29 PolarHBondContact O-N 2.96Å
28V35.7Very low36.9Very low109 Ų109131.7 Ų131.766%0.66174%0.737SS**  trans-72.8106.7169.3-179.20000107.6L26 C30L26-V28 VanDerWaalsContact C-N 3.33Å; L26-V28 PolarHBondContact O-N 3.19Å; V28-C30 VanDerWaalsContact C-N 3.3Å; V28-C30 PolarHBondContact O-N 3.48Å
29L31.5Very low37.2Very low159 Ų159131.2 Ų131.283%0.83274%0.743SS**  trans-70.291.2164.9-126.8100.4000107.4R27 V31R27-L29 PolarHBondContact O-N 2.96Å; L29-V31 PolarHBondContact O-N 3.05Å
30C32.1Very low37.4Very low101 Ų101131.4 Ų131.468%0.68274%0.739SS**  trans-7487.7173.4-91.20000110V28 L32V28-C30 VanDerWaalsContact C-N 3.3Å; V28-C30 PolarHBondContact O-N 3.48Å; C30-L32 PolarHBondContact O-N 3.38Å
31V33.5Very low37.1Very low110 Ų110131.6 Ų131.667%0.66774%0.741SS**  trans-8397.3152.4-171.70000106.1L29 V33L29-V31 PolarHBondContact O-N 3.05Å; V31-V33 HydrophobicContact CG1-CG2 3.71Å; V31-V33 PolarHBondContact O-N 3.39Å
32L39.2Very low37.1Very low160 Ų160132.6 Ų132.684%0.83875%0.749SS**  trans-69.675.9169.8-81.3163.7000109.1C30 S34C30-L32 PolarHBondContact O-N 3.38Å; L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 3.43Å
33V42.6Very low37.2Very low99 Ų99138.3 Ų138.360%0.675%0.749SS**  trans-81.189.3155.5-173.10000105.7V31 L35V31-V33 HydrophobicContact CG1-CG2 3.71Å; V31-V33 PolarHBondContact O-N 3.39Å; V33-L35 PolarHBondContact O-N 2.89Å
34S42.8Very low37.6Very low98 Ų98135.8 Ų135.869%0.68575%0.745SS**  trans-56111.7162.9-170.70000107.2L32L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 3.43Å
35L36.8Very low37.7Very low138 Ų138138.2 Ų138.272%0.72375%0.749SS**SBendtrans162.6110.6131.3-81154.6000109.8V33V33-L35 PolarHBondContact O-N 2.89Å
36T42.6Very low37.9Very low91 Ų91137 Ų13756%0.55876%0.755SS**  trans72.994.5159.266.50000118.6H38T36-H38 PolarHBondContact O-N 3.39Å
37V38.6Very low38.1Very low131 Ų131134.5 Ų134.579%0.79476%0.757SS**  trans-77.4102.5152.4176.60000107.2
38H39.3Very low38.7Very low142 Ų142127.4 Ų127.466%0.65775%0.749SS**  trans-89.296.8161.9-90.276.5000108.3T36 Y40T36-H38 PolarHBondContact O-N 3.39Å; H38-Y40 HydrophobicContact CB-CD2 4.39Å; H38-Y40 HydrophobicContact CB-CE2 4.28Å; H38-Y40 PolarHBondContact O-N 3.03Å
39C35.5Very low39.3Very low116 Ų116128.2 Ų128.278%0.78475%0.754SS**  trans-73.6107.4164.5-75.20000108.8
40Y40.5Very low40.1Very low202 Ų202126.3 Ų126.379%0.79276%0.755SS**  trans-89.9106.6162.1-84.3-86.9000108.8H38H38-Y40 HydrophobicContact CB-CD2 4.39Å; H38-Y40 HydrophobicContact CB-CE2 4.28Å; H38-Y40 PolarHBondContact O-N 3.03Å
41A35Very low40.8Very low84 Ų84125.3 Ų125.369%0.69476%0.761SS**  trans-76.4136.7166.100000109.3F43A41-F43 PolarHBondContact O-N 3.44Å
42P41.1Very low41.4Very low124 Ų124125.8 Ų125.881%0.80577%0.77SS**  trans-76.1107.3173.730.6-28.9000108.1V44P42-V44 PolarHBondContact O-N 3.4Å
43F35.6Very low42.2Very low208 Ų208125.8 Ų125.891%0.91277%0.769SS**PPolyproline II helixtrans-76.8121.2175.4-152.2-93.5000110.1A41A41-F43 PolarHBondContact O-N 3.44Å
44V42.9Very low42.6Very low120 Ų120126.7 Ų126.773%0.72778%0.778SS**PPolyproline II helixtrans-63.7137.8179.5174.10000110.7P42 G46P42-V44 PolarHBondContact O-N 3.4Å; V44-G46 PolarHBondContact O-N 2.89Å
45K39.3Very low43Very low212 Ų212126.5 Ų126.592%0.92278%0.782SS**PPolyproline II helixtrans-58.9117.5174.6-75175.2176.7174.40111
46G40.8Very low43.4Very low76 Ų76128.8 Ų128.878%0.78479%0.791SS**  trans-118.2122.3162.100000109.4V44V44-G46 PolarHBondContact O-N 2.89Å
47A41.1Very low43.6Very low108 Ų108131.9 Ų131.989%0.89380%0.803SS**  trans-75.5135.1-17700000112.6
48A46Very low44Very low87 Ų87136.5 Ų136.572%0.71981%0.808SS**  trans-170.3112.8149.300000112.3
49T48.5Very low44.6Very low126 Ų126133.2 Ų133.277%0.77381%0.805SS**  trans49.2110.1136.162.70000121.7
50S48.1Very low45.7Very low120 Ų120136.7 Ų136.784%0.83980%0.802SS**  trans39.6103.9136.462.60000119
51G47.7Very low46.9Very low80 Ų80129.9 Ų129.983%0.82578%0.784SS**  trans-175.4100165.600000110.1L53G51-L53 PolarHBondContact O-N 2.82Å
52S46Very low48.7Very low120 Ų120132 Ų13284%0.83978%0.784SS**  trans-69.3108.1-174.646.90000112.8
53L54.7Low50.4Low159 Ų159131.5 Ų131.583%0.83277%0.774SS**  trans-145.7134.7154.8-81.3172000108.4G51 A55G51-L53 PolarHBondContact O-N 2.82Å; L53-A55 PolarHBondContact O-N 3.38Å
54P51.2Low52.6Low119 Ų119126.4 Ų126.477%0.77375%0.753SS**  trans-72.6102.917330-29000107.7M56P54-M56 VanDerWaalsContact C-N 3.25Å; P54-M56 PolarHBondContact O-N 2.87Å
55A50.7Low54.4Low94 Ų94124.1 Ų124.178%0.77774%0.736SS**  trans-63.795161.200000106.9L53 L57L53-A55 PolarHBondContact O-N 3.38Å; A55-L57 PolarHBondContact O-N 3.49Å
56M47.1Very low56.6Low185 Ų185119.2 Ų119.291%0.91172%0.718SS**  trans-55.8112.5169.1-109.1-159.8-17300107.6P54 Y58P54-M56 VanDerWaalsContact C-N 3.25Å; P54-M56 PolarHBondContact O-N 2.87Å; M56-Y58 PolarHBondContact O-N 3.28Å
57L44.9Very low58.8Low156 Ų156119 Ų11982%0.81770%0.698SS**  trans-48.5100.8177.7-72.1140.3000111.2A55 A59A55-L57 PolarHBondContact O-N 3.49Å; L57-A59 HydrophobicContact CB-CB 4.12Å; L57-A59 HydrophobicContact CD2-CB 3.88Å; L57-A59 PolarHBondContact O-N 3.04Å; L57-A59 VanDerWaalsContact O-N 3.12Å
58Y48.9Very low61.1Low228 Ų228117.5 Ų117.589%0.89468%0.678SS**  trans-77.851.9145.8-108-87.3000108.6M56 R60M56-Y58 PolarHBondContact O-N 3.28Å; Y58-R60 PolarHBondContact O-N 2.8Å
59A52.2Low63.1Low73 Ų73120.2 Ų120.260%0.60367%0.67SS**  trans-79.473.216300000106.4L57 S61L57-A59 HydrophobicContact CB-CB 4.12Å; L57-A59 HydrophobicContact CD2-CB 3.88Å; L57-A59 PolarHBondContact O-N 3.04Å; L57-A59 VanDerWaalsContact O-N 3.12Å; A59-S61 VanDerWaalsContact C-N 3.35Å; A59-S61 PolarHBondContact O-N 2.89Å
60R56.8Low65.1Low190 Ų190117.2 Ų117.272%0.71766%0.658SS**  trans-59.8107.5164.5-167172.9-169.51711.9104.6Y58 D62Y58-R60 PolarHBondContact O-N 2.8Å; R60-D62 PolarHBondContact O-N 3.47Å
61S66.2Low67.1Low59 Ų59116 Ų11641%0.41364%0.641SS.*  trans-49.2125.6-168.3380000110.2A59 L63 E64A59-S61 VanDerWaalsContact C-N 3.35Å; A59-S61 PolarHBondContact O-N 2.89Å; S61-L63 PolarHBondContact O-N 3.36Å; S61-E64 WeakPolarHBondContact O-CB 3.17Å; S61-E64 PolarHBondContact O-N 3.33Å; S61-E64 WeakPolarHBondContact OG-CG 3.28Å
62D72.8Confident69.1Low129 Ų129116 Ų11669%0.6962%0.622SS**Hα-helixtrans-48.1-29.4177.7-64.6-48000111.8R60 I65 I66R60-D62 PolarHBondContact O-N 3.47Å; D62-I65 PolarHBondContact O-N 3.25Å; D62-I66 WeakPolarHBondContact O-CD1 3.41Å; D62-I66 VanDerWaalsContact O-CG1 3.24Å; D62-I66 WeakPolarHBondContact O-CG1 3.17Å; D62-I66 PolarHBondContact O-N 3.46Å
63L77.6Confident71.2Confident112 Ų112112.2 Ų112.259%0.58660%0.602SS**Hα-helixtrans-60.3-41.4174.2-165.966.8000114.1S61 I66 I67S61-L63 PolarHBondContact O-N 3.36Å; L63-I66 PolarHBondContact O-N 3.38Å; L63-I67 HydrophobicContact CD1-CD1 4.49Å; L63-I67 HydrophobicContact CD2-CD1 4.47Å; L63-I67 HydrophobicContact CG-CD1 3.89Å; L63-I67 WeakPolarHBondContact O-CB 3.45Å; L63-I67 WeakPolarHBondContact O-CD1 3.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.24Å; L63-I67 PolarHBondContact O-N 3.3Å
64E81.5Confident72.8Confident102 Ų102109.4 Ų109.448%0.47759%0.587SS.*Hα-helixtrans-66.7-39.8179.2-71.4-72.2149.600110.7S61 I67 T68S61-E64 WeakPolarHBondContact O-CB 3.17Å; S61-E64 PolarHBondContact O-N 3.33Å; S61-E64 WeakPolarHBondContact OG-CG 3.28Å; E64-I67 PolarHBondContact O-N 3.27Å; E64-T68 VanDerWaalsContact O-CG2 3.28Å; E64-T68 WeakPolarHBondContact O-CG2 3.29Å; E64-T68 PolarHBondContact O-N 3.45Å; E64-T68 PolarHBondContact O-OG1 2.88Å
65I80.1Confident74.4Confident71 Ų71108.8 Ų108.836%0.36458%0.576SS.*Hα-helixtrans-64.1-49.1176.4-62175.2000109.3D62 I67 T68 W69D62-I65 PolarHBondContact O-N 3.25Å; I65-I67 VanDerWaalsContact C-N 3.33Å; I65-I67 PolarHBondContact O-N 2.83Å; I65-T68 PolarHBondContact O-N 2.66Å; I65-T68 PolarHBondContact O-OG1 2.9Å; I65-W69 PolarHBondContact O-N 3.41Å
66I85.3Confident76.1Confident109 Ų109107.8 Ų107.856%0.55956%0.558SS**Hα-helixtrans-58.7-44.1177.9-66163.8000111.4D62 L63 T68 W69 A70D62-I66 WeakPolarHBondContact O-CD1 3.41Å; D62-I66 VanDerWaalsContact O-CG1 3.24Å; D62-I66 WeakPolarHBondContact O-CG1 3.17Å; D62-I66 PolarHBondContact O-N 3.46Å; L63-I66 PolarHBondContact O-N 3.38Å; I66-T68 PolarHBondContact O-N 3.12Å; I66-W69 PolarHBondContact O-N 3.46Å; I66-A70 WeakPolarHBondContact O-CB 3.45Å; I66-A70 PolarHBondContact O-N 2.99Å
67I87.7Confident77.7Confident71 Ų71103.3 Ų103.336%0.36454%0.544SS..Hα-helixtrans-61.9-43.9177.8-70.4165.7000110.7L63 E64 I65 W69 A70 I71L63-I67 HydrophobicContact CD1-CD1 4.49Å; L63-I67 HydrophobicContact CD2-CD1 4.47Å; L63-I67 HydrophobicContact CG-CD1 3.89Å; L63-I67 WeakPolarHBondContact O-CB 3.45Å; L63-I67 WeakPolarHBondContact O-CD1 3.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.24Å; L63-I67 PolarHBondContact O-N 3.3Å; E64-I67 PolarHBondContact O-N 3.27Å; I65-I67 VanDerWaalsContact C-N 3.33Å; I65-I67 PolarHBondContact O-N 2.83Å; I67-W69 PolarHBondContact O-N 3.21Å; I67-A70 PolarHBondContact O-N 3.12Å; I67-I71 HydrophobicContact CG2-CD1 3.62Å; I67-I71 HydrophobicContact CG2-CG1 4.27Å; I67-I71 WeakPolarHBondContact O-CB 3.38Å; I67-I71 VanDerWaalsContact O-CG1 3.29Å; I67-I71 WeakPolarHBondContact O-CG1 3.35Å; I67-I71 PolarHBondContact O-N 3.34Å
68T88.3Confident79.1Confident77 Ų77103.4 Ų103.447%0.47254%0.538SS..Hα-helixtrans-63.4-40.9178.458.40000112.8E64 I65 I66 I71 L72E64-T68 VanDerWaalsContact O-CG2 3.28Å; E64-T68 WeakPolarHBondContact O-CG2 3.29Å; E64-T68 PolarHBondContact O-N 3.45Å; E64-T68 PolarHBondContact O-OG1 2.88Å; I65-T68 PolarHBondContact O-N 2.66Å; I65-T68 PolarHBondContact O-OG1 2.9Å; I66-T68 PolarHBondContact O-N 3.12Å; T68-I71 PolarHBondContact O-N 2.83Å; T68-L72 VanDerWaalsContact O-CB 3.28Å; T68-L72 WeakPolarHBondContact O-CB 3.12Å; T68-L72 PolarHBondContact O-N 3.4Å
69W88.4Confident80.3Confident145 Ų14597.8 Ų97.855%0.54952%0.523SS..Hα-helixtrans-68.5-36.8175.1-73.9108.3000112.5I65 I66 I67 L72 G73I65-W69 PolarHBondContact O-N 3.41Å; I66-W69 PolarHBondContact O-N 3.46Å; I67-W69 PolarHBondContact O-N 3.21Å; W69-L72 HydrophobicContact CE3-CD2 4.14Å; W69-L72 HydrophobicContact CZ3-CD2 4.11Å; W69-L72 PolarHBondContact O-N 2.89Å; W69-G73 PolarHBondContact O-N 3.39Å
70A90.6Very high80.9Confident63 Ų6399.3 Ų99.352%0.52153%0.527SS..Hα-helixtrans-65.4-44.3175.100000111.5I66 I67 G73 L74I66-A70 WeakPolarHBondContact O-CB 3.45Å; I66-A70 PolarHBondContact O-N 2.99Å; I67-A70 PolarHBondContact O-N 3.12Å; A70-G73 PolarHBondContact O-N 3.07Å; A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 PolarHBondContact O-N 3.23Å
71I91Very high81.1Confident94 Ų9497.6 Ų97.648%0.48253%0.53SS..Hα-helixtrans-64-42.9175.3-68.9169.9000110.6I67 T68 L74 L75I67-I71 HydrophobicContact CG2-CD1 3.62Å; I67-I71 HydrophobicContact CG2-CG1 4.27Å; I67-I71 WeakPolarHBondContact O-CB 3.38Å; I67-I71 VanDerWaalsContact O-CG1 3.29Å; I67-I71 WeakPolarHBondContact O-CG1 3.35Å; I67-I71 PolarHBondContact O-N 3.34Å; T68-I71 PolarHBondContact O-N 2.83Å; I71-L74 PolarHBondContact O-N 3.4Å; I71-L75 HydrophobicContact CG2-CD1 3.88Å; I71-L75 WeakPolarHBondContact O-CB 3.46Å; I71-L75 PolarHBondContact O-N 2.94Å
72L89.6Confident80.8Confident80 Ų8099 Ų9942%0.41954%0.536SS..Hα-helixtrans-65.6-44.6177.6-178.562.1000111.6T68 W69 L74 L75 I76T68-L72 VanDerWaalsContact O-CB 3.28Å; T68-L72 WeakPolarHBondContact O-CB 3.12Å; T68-L72 PolarHBondContact O-N 3.4Å; W69-L72 HydrophobicContact CE3-CD2 4.14Å; W69-L72 HydrophobicContact CZ3-CD2 4.11Å; W69-L72 PolarHBondContact O-N 2.89Å; L72-L74 VanDerWaalsContact C-N 3.3Å; L72-L74 PolarHBondContact O-N 3.29Å; L72-L75 PolarHBondContact O-N 3Å; L72-I76 HydrophobicContact CD1-CD1 4.04Å; L72-I76 HydrophobicContact CD1-CG1 4.27Å; L72-I76 HydrophobicContact CG-CD1 3.83Å; L72-I76 HydrophobicContact CG-CG1 4.46Å; L72-I76 WeakPolarHBondContact O-CB 3.21Å; L72-I76 WeakPolarHBondContact O-CG1 3.41Å; L72-I76 PolarHBondContact O-N 3.48Å
73G89.4Confident80.2Confident40 Ų4097.3 Ų97.341%0.41254%0.535SS..Hα-helixtrans-61.4-39.917500000112.1W69 A70 I76 S77W69-G73 PolarHBondContact O-N 3.39Å; A70-G73 PolarHBondContact O-N 3.07Å; G73-I76 PolarHBondContact O-N 2.87Å; G73-S77 WeakPolarHBondContact O-CB 3.21Å; G73-S77 PolarHBondContact O-N 3Å
74L88.3Confident80Confident100 Ų10093 Ų9352%0.52451%0.514SS..Hα-helixtrans-65-47.8173.9-172.6132.1000111.2A70 I71 L72 I76 S77 F78A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 PolarHBondContact O-N 3.23Å; I71-L74 PolarHBondContact O-N 3.4Å; L72-L74 VanDerWaalsContact C-N 3.3Å; L72-L74 PolarHBondContact O-N 3.29Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 PolarHBondContact O-N 2.97Å; L74-S77 PolarHBondContact O-N 3.35Å; L74-S77 VanDerWaalsContact O-N 3.12Å; L74-S77 PolarHBondContact O-OG 3.02Å; L74-F78 HydrophobicContact CD1-CE2 4.41Å; L74-F78 HydrophobicContact CD2-CD2 3.83Å; L74-F78 HydrophobicContact CD2-CE2 3.57Å; L74-F78 HydrophobicContact CG-CD2 4.05Å; L74-F78 HydrophobicContact CG-CE2 3.7Å; L74-F78 WeakPolarHBondContact O-CD2 3.45Å; L74-F78 PolarHBondContact O-N 3.34Å; L74-F78 VanDerWaalsContact O-N 3.07Å
75L86.1Confident80.2Confident106 Ų10695.5 Ų95.556%0.55552%0.519SS*.Hα-helixtrans-58.6-42.4174.5-103.2144.1000112.6I71 L72 S77 F78 L79I71-L75 HydrophobicContact CG2-CD1 3.88Å; I71-L75 WeakPolarHBondContact O-CB 3.46Å; I71-L75 PolarHBondContact O-N 2.94Å; L72-L75 PolarHBondContact O-N 3Å; L75-S77 VanDerWaalsContact C-N 3.33Å; L75-F78 PolarHBondContact O-N 3Å; L75-L79 PolarHBondContact O-N 3.35Å
76I84.4Confident80.7Confident74 Ų7495.6 Ų95.638%0.37952%0.518SS..Hα-helixtrans-65.9-38.3176.2-68.6166.8000110.5L72 G73 L74 F78 L79L72-I76 HydrophobicContact CD1-CD1 4.04Å; L72-I76 HydrophobicContact CD1-CG1 4.27Å; L72-I76 HydrophobicContact CG-CD1 3.83Å; L72-I76 HydrophobicContact CG-CG1 4.46Å; L72-I76 WeakPolarHBondContact O-CB 3.21Å; L72-I76 WeakPolarHBondContact O-CG1 3.41Å; L72-I76 PolarHBondContact O-N 3.48Å; G73-I76 PolarHBondContact O-N 2.87Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 PolarHBondContact O-N 2.97Å; I76-F78 PolarHBondContact O-N 2.9Å; I76-L79 WeakPolarHBondContact O-CB 3.37Å; I76-L79 PolarHBondContact O-N 2.85Å; I76-L79 VanDerWaalsContact O-N 3.12Å
77S81.4Confident81Confident90 Ų9090.9 Ų90.963%0.62949%0.493SS*.Hα-helixtrans-66.1-25.7176.479.10000113.3G73 L74 L75G73-S77 WeakPolarHBondContact O-CB 3.21Å; G73-S77 PolarHBondContact O-N 3Å; L74-S77 PolarHBondContact O-N 3.35Å; L74-S77 VanDerWaalsContact O-N 3.12Å; L74-S77 PolarHBondContact O-OG 3.02Å; L75-S77 VanDerWaalsContact C-N 3.33Å
78F74.4Confident81.2Confident158 Ų15891.2 Ų91.269%0.69351%0.507SS*.THydrogen-bonded Turntrans-85.3-8.7174.1-78.7-70000113.8L74 L75 I76L74-F78 HydrophobicContact CD1-CE2 4.41Å; L74-F78 HydrophobicContact CD2-CD2 3.83Å; L74-F78 HydrophobicContact CD2-CE2 3.57Å; L74-F78 HydrophobicContact CG-CD2 4.05Å; L74-F78 HydrophobicContact CG-CE2 3.7Å; L74-F78 WeakPolarHBondContact O-CD2 3.45Å; L74-F78 PolarHBondContact O-N 3.34Å; L74-F78 VanDerWaalsContact O-N 3.07Å; L75-F78 PolarHBondContact O-N 3Å; I76-F78 PolarHBondContact O-N 2.9Å
79L74.2Confident81.4Confident110 Ų11089 Ų8958%0.57649%0.493SS*.SBendtrans-68.8128.4174.3-73.5170.4000109L75 I76 I81L75-L79 PolarHBondContact O-N 3.35Å; I76-L79 WeakPolarHBondContact O-CB 3.37Å; I76-L79 PolarHBondContact O-N 2.85Å; I76-L79 VanDerWaalsContact O-N 3.12Å; L79-I81 PolarHBondContact O-N 3.34Å
80P64Low81.6Confident106 Ų10682.8 Ų82.869%0.68847%0.47SS*.  trans-62.1114.8176.325.5-32.1000108.2V82P80-V82 VanDerWaalsContact C-N 3.3Å; P80-V82 PolarHBondContact O-N 2.78Å
81I62.6Low81.7Confident153 Ų15384.9 Ų84.979%0.78547%0.465SS*.  trans-66.697.5170-57172.6000105.6L79 S83L79-I81 PolarHBondContact O-N 3.34Å; I81-S83 VanDerWaalsContact C-N 3.25Å; I81-S83 PolarHBondContact O-N 3.23Å
82V59Low81.8Confident89 Ų8980.4 Ų80.454%0.53944%0.442SS..  trans-70.791.8170.7-179.50000106.7P80 C84P80-V82 VanDerWaalsContact C-N 3.3Å; P80-V82 PolarHBondContact O-N 2.78Å; V82-C84 PolarHBondContact O-N 2.9Å
83S61.1Low81.7Confident93 Ų9377.9 Ų77.965%0.6543%0.43SS*.  trans-67.5113.7174.9-620000108.9I81I81-S83 VanDerWaalsContact C-N 3.25Å; I81-S83 PolarHBondContact O-N 3.23Å
84C72.9Confident81.5Confident22 Ų2276.5 Ų76.515%0.14941%0.414CS..PPolyproline II helixtrans-84116.2166.8-163.70000107.9C5 L7 V82 G114C5-C84 HydrophobicContact CB-CB 3.43Å; C5-C84 VanDerWaalsContact CB-CB 3.43Å; C5-C84 WeakPolarHBondContact CB-SG 3.3Å; C5-C84 WeakPolarHBondContact SG-CB 3.47Å; L7-C84 HydrophobicContact CD1-CB 3.89Å; L7-C84 VanDerWaalsContact CD1-SG 3.52Å; L7-C84 HydrophobicContact CG-CB 4.16Å; V82-C84 PolarHBondContact O-N 2.9Å; C84-G114 PolarHBondContact SG-O 2.88Å
85R86.2Confident81.3Confident155 Ų15575.4 Ų75.459%0.58542%0.415SS*.PPolyproline II helixtrans-95126.6174.4-178.8-177.5170.6173.6-6.7109.3L87 D115 R116R85-L87 HydrophobicContact CG-CD2 4.31Å; R85-D115 WeakPolarHBondContact CB-OD1 3.31Å; R85-D115 WeakPolarHBondContact O-CA 3.42Å; R85-R116 PolarHBondContact O-N 2.88Å
86Q90.4Very high81.4Confident73 Ų7371 Ų7134%0.34139%0.393SS..BIsolated β-bridgetrans-81.6120.7164.1-178.463.24000108.4L7 R116 N118L7-Q86 HydrophobicContact CD1-CB 4.24Å; Q86-R116 VanDerWaalsContact OE1-CB 3.24Å; Q86-N118 PolarHBondContact NE2-ND2 3.02Å; Q86-N118 VanDerWaalsContact NE2-ND2 3.19Å
87L91.5Very high81.4Confident9 Ų968.6 Ų68.65%0.04738%0.384CS..PPolyproline II helixtrans-80.6160.6174.2-60.5173000110.2R85 L109 V111 D115 R116 L117R85-L87 HydrophobicContact CG-CD2 4.31Å; L87-L109 HydrophobicContact CD1-CD2 4.27Å; L87-V111 HydrophobicContact CD1-CB 4.18Å; L87-V111 HydrophobicContact CD1-CG1 3.51Å; L87-D115 HydrophobicContact CD1-CB 3.97Å; L87-D115 HydrophobicContact CG-CB 4.21Å; L87-R116 WeakPolarHBondContact CB-O 3.33Å; L87-R116 PolarHBondContact N-O 3.12Å; L87-L117 HydrophobicContact CB-CD1 4.08Å; L87-L117 HydrophobicContact CD1-CB 4.28Å
88A90.8Very high81.7Confident79 Ų7966.6 Ų66.665%0.65337%0.368SS*.PPolyproline II helixtrans-61.5143.9171.700000110L117A88-L117 VanDerWaalsContact O-CD1 3.24Å; A88-L117 WeakPolarHBondContact O-CD1 3.36Å
89D92.4Very high82.4Confident31 Ų3159.5 Ų59.517%0.16634%0.337CS..PPolyproline II helixtrans-71.2140.6-177.5-51.7-49.9000110.2R11 N118 L120R11-D89 IonicContact CZ-OD2 3.83Å; R11-D89 IonicContact NH1-OD2 2.81Å; R11-D89 PolarHBondContact NH1-OD2 2.71Å; D89-N118 WeakPolarHBondContact CA-O 3.34Å; D89-N118 HydrophobicContact CB-CB 4.45Å; D89-N118 VanDerWaalsContact OD1-CB 3.32Å; D89-N118 WeakPolarHBondContact OD1-CB 3.29Å; D89-N118 PolarHBondContact OD1-ND2 3.33Å; D89-L120 HydrophobicContact CB-CD1 3.72Å; D89-L120 HydrophobicContact CB-CG 3.98Å
90V92.9Very high82.9Confident14 Ų1459.6 Ų59.69%0.08534%0.338CS..EExtended strand (participates in β ladder)trans-99.8115.4176.9169.80000108.3W92 T98 L117 N118 I119 L120 M222V90-W92 HydrophobicContact CG1-CE3 4.25Å; V90-W92 PolarHBondContact O-N 3.24Å; V90-T98 HydrophobicContact CG1-CG2 4.18Å; V90-L117 HydrophobicContact CG2-CD1 3.92Å; V90-N118 PolarHBondContact N-O 3.16Å; V90-I119 CarbonylContact O-C 3.52Å; V90-I119 WeakPolarHBondContact O-CA 3.42Å; V90-L120 PolarHBondContact O-N 2.92Å; V90-M222 HydrophobicContact CG1-SD 4.43Å
91Y92.6Very high83.9Confident106 Ų10657.6 Ų57.642%0.41632%0.321SS..EExtended strand (participates in β ladder)trans-79.6113176.4-70.9-95.2000109.5N93 S96 F99 L120 P313Y91-N93 PolarHBondContact O-N 3.09Å; Y91-S96 PolarHBondContact O-OG 3.12Å; Y91-S96 VanDerWaalsContact O-OG 3.09Å; Y91-F99 WeakPolarHBondContact O-CE2 3.47Å; Y91-L120 HydrophobicContact CD1-CB 4.2Å; Y91-L120 HydrophobicContact CD1-CD1 3.94Å; Y91-L120 HydrophobicContact CD2-CD1 4.48Å; Y91-L120 HydrophobicContact CE1-CB 4.49Å; Y91-L120 HydrophobicContact CE1-CD1 3.48Å; Y91-L120 VanDerWaalsContact CE1-CD1 3.48Å; Y91-L120 HydrophobicContact CE2-CD1 4.06Å; Y91-L120 HydrophobicContact CG-CD1 4.43Å; Y91-P313 HydrophobicContact CE1-CG 4.3Å
92W93.3Very high84.8Confident0 Ų051.8 Ų51.80%030%0.295CS..  trans-86.358.3-176.3-156-87.7000112.5V90 F99 I119 L120 P122 I140 F196 T198 M220 M222V90-W92 HydrophobicContact CG1-CE3 4.25Å; V90-W92 PolarHBondContact O-N 3.24Å; W92-F99 HydrophobicContact CD2-CE2 4.32Å; W92-F99 AromaticContact CD2-CZ 3.84Å; W92-F99 HydrophobicContact CD2-CZ 3.84Å; W92-F99 HydrophobicContact CE3-CE2 4.37Å; W92-F99 AromaticContact CE3-CZ 3.61Å; W92-F99 HydrophobicContact CE3-CZ 3.61Å; W92-F99 HydrophobicContact CG-CZ 4.49Å; W92-F99 HydrophobicContact CH2-CE1 4.44Å; W92-F99 HydrophobicContact CH2-CZ 4.21Å; W92-F99 HydrophobicContact CZ2-CZ 4.41Å; W92-F99 HydrophobicContact CZ3-CE1 4.35Å; W92-F99 AromaticContact CZ3-CZ 3.81Å; W92-F99 HydrophobicContact CZ3-CZ 3.81Å; W92-I119 HydrophobicContact CB-CG2 3.65Å; W92-I119 HydrophobicContact CD2-CG2 4.09Å; W92-I119 HydrophobicContact CE3-CG2 3.69Å; W92-I119 HydrophobicContact CG-CG2 4.11Å; W92-L120 WeakPolarHBondContact CB-O 3.23Å; W92-L120 PolarHBondContact N-O 3.09Å; W92-P122 WeakPolarHBondContact O-CD 3.42Å; W92-P122 WeakPolarHBondContact O-CG 3.47Å; W92-I140 HydrophobicContact CB-CD1 4.01Å; W92-I140 HydrophobicContact CD2-CD1 3.7Å; W92-I140 HydrophobicContact CD2-CG1 4.21Å; W92-I140 HydrophobicContact CD2-CG2 4.46Å; W92-I140 HydrophobicContact CE3-CD1 4.28Å; W92-I140 HydrophobicContact CG-CD1 3.52Å; W92-I140 HydrophobicContact CG-CG1 4.17Å; W92-I140 HydrophobicContact CH2-CG2 4.11Å; W92-I140 HydrophobicContact CZ2-CG2 3.93Å; W92-I140 HydrophobicContact CZ3-CG2 4.43Å; W92-F196 HydrophobicContact CH2-CB 3.89Å; W92-F196 HydrophobicContact CZ3-CB 4.43Å; W92-T198 PolarHBondContact NE1-OG1 3.04Å; W92-M220 HydrophobicContact CG-CE 4.14Å; W92-M220 VanDerWaalsContact O-CE 3.27Å; W92-M220 WeakPolarHBondContact O-CE 3.5Å; W92-M222 HydrophobicContact CH2-CG 3.93Å; W92-M222 HydrophobicContact CZ3-CB 4.39Å; W92-M222 HydrophobicContact CZ3-CE 3.79Å; W92-M222 HydrophobicContact CZ3-CG 3.67Å; W92-M222 HydrophobicContact CZ3-SD 3.74Å
93N87.8Confident86Confident28 Ų2852.6 Ų52.615%0.1530%0.297CS..  trans-126.6138.8-177.3178.2-34.9000109.6Y91 S95 S96 F99 P122 D135Y91-N93 PolarHBondContact O-N 3.09Å; N93-S95 PolarHBondContact O-N 2.82Å; N93-S95 PolarHBondContact OD1-N 3.45Å; N93-S95 PolarHBondContact OD1-OG 3Å; N93-S96 VanDerWaalsContact O-CB 3.31Å; N93-S96 WeakPolarHBondContact O-CB 3.27Å; N93-S96 PolarHBondContact O-N 3.41Å; N93-S96 PolarHBondContact O-OG 2.73Å; N93-F99 WeakPolarHBondContact O-CD2 3.49Å; N93-P122 HydrophobicContact CB-CG 4.12Å; N93-D135 VanDerWaalsContact CA-OD2 3.31Å; N93-D135 WeakPolarHBondContact CA-OD2 3.44Å; N93-D135 PolarHBondContact OD1-OD2 2.93Å
94A86.2Confident87.1Confident11 Ų1158.4 Ų58.49%0.09130%0.304CS..THydrogen-bonded Turntrans-56.7-32.5179.800000113.5L100 D135 N218 M220A94-L100 WeakPolarHBondContact O-CD2 3.45Å; A94-D135 PolarHBondContact N-OD2 2.99Å; A94-N218 HydrophobicContact CB-CB 3.96Å; A94-M220 HydrophobicContact CB-CG 4.4Å; A94-M220 HydrophobicContact CB-SD 3.67Å
95S84.1Confident87.7Confident76 Ų7665.1 Ų65.153%0.53133%0.328SS..THydrogen-bonded Turntrans-86.3-1.6178.371.80000114.1N93 L100N93-S95 PolarHBondContact O-N 2.82Å; N93-S95 PolarHBondContact OD1-N 3.45Å; N93-S95 PolarHBondContact OD1-OG 3Å; S95-L100 WeakPolarHBondContact O-CD1 3.24Å
96S86.6Confident87.8Confident14 Ų1458 Ų5810%0.09830%0.302CS..SBendtrans-71.1144.317771.50000111.2Y91 N93 T98 F99 L100Y91-S96 PolarHBondContact O-OG 3.12Å; Y91-S96 VanDerWaalsContact O-OG 3.09Å; N93-S96 VanDerWaalsContact O-CB 3.31Å; N93-S96 WeakPolarHBondContact O-CB 3.27Å; N93-S96 PolarHBondContact O-N 3.41Å; N93-S96 PolarHBondContact O-OG 2.73Å; S96-T98 PolarHBondContact O-N 3.37Å; S96-F99 PolarHBondContact O-N 3.33Å; S96-F99 VanDerWaalsContact OG-CD2 3.26Å; S96-F99 WeakPolarHBondContact OG-CD2 3.35Å; S96-L100 PolarHBondContact O-N 2.94Å
97A86Confident88Confident24 Ų2456 Ų5620%0.19830%0.295CS..Hα-helixtrans-55.8-26.9174.600000112.6F99 L101 V308 T310A97-F99 VanDerWaalsContact C-N 3.28Å; A97-F99 PolarHBondContact O-N 3.35Å; A97-L101 HydrophobicContact CB-CD1 3.81Å; A97-L101 HydrophobicContact CB-CG 4.19Å; A97-L101 VanDerWaalsContact O-CB 3.26Å; A97-L101 WeakPolarHBondContact O-CB 3.47Å; A97-L101 WeakPolarHBondContact O-CG 3.44Å; A97-L101 PolarHBondContact O-N 3.11Å; A97-V308 HydrophobicContact CB-CB 4.38Å; A97-T310 HydrophobicContact CB-CG2 4.11Å
98T85.9Confident88.1Confident47 Ų4759.2 Ų59.229%0.28832%0.316SS..Hα-helixtrans-60.1-34.6177.4-55.60000113.1V90 S96 P107V90-T98 HydrophobicContact CG1-CG2 4.18Å; S96-T98 PolarHBondContact O-N 3.37Å; T98-P107 HydrophobicContact CG2-CB 4.15Å; T98-P107 HydrophobicContact CG2-CG 3.74Å; T98-P107 WeakPolarHBondContact O-CG 3.39Å
99F89.4Confident88.3Confident10 Ų1057.5 Ų57.54%0.04430%0.295CS..Hα-helixtrans-104.3-36.7177.5-57.4-69.7000113.2Y91 W92 N93 S96 A97 L101 A102 P107 M220Y91-F99 WeakPolarHBondContact O-CE2 3.47Å; W92-F99 HydrophobicContact CD2-CE2 4.32Å; W92-F99 AromaticContact CD2-CZ 3.84Å; W92-F99 HydrophobicContact CD2-CZ 3.84Å; W92-F99 HydrophobicContact CE3-CE2 4.37Å; W92-F99 AromaticContact CE3-CZ 3.61Å; W92-F99 HydrophobicContact CE3-CZ 3.61Å; W92-F99 HydrophobicContact CG-CZ 4.49Å; W92-F99 HydrophobicContact CH2-CE1 4.44Å; W92-F99 HydrophobicContact CH2-CZ 4.21Å; W92-F99 HydrophobicContact CZ2-CZ 4.41Å; W92-F99 HydrophobicContact CZ3-CE1 4.35Å; W92-F99 AromaticContact CZ3-CZ 3.81Å; W92-F99 HydrophobicContact CZ3-CZ 3.81Å; N93-F99 WeakPolarHBondContact O-CD2 3.49Å; S96-F99 PolarHBondContact O-N 3.33Å; S96-F99 VanDerWaalsContact OG-CD2 3.26Å; S96-F99 WeakPolarHBondContact OG-CD2 3.35Å; A97-F99 VanDerWaalsContact C-N 3.28Å; A97-F99 PolarHBondContact O-N 3.35Å; F99-L101 VanDerWaalsContact C-N 3.26Å; F99-L101 PolarHBondContact O-N 3.42Å; F99-A102 WeakPolarHBondContact O-CB 3.3Å; F99-A102 PolarHBondContact O-N 3.27Å; F99-P107 HydrophobicContact CD1-CG 4.34Å; F99-P107 HydrophobicContact CE1-CG 4.26Å; F99-M220 HydrophobicContact CD2-CG 4.36Å; F99-M220 HydrophobicContact CE2-CE 4.46Å; F99-M220 HydrophobicContact CG-CG 4.31Å
100L85Confident88.4Confident112 Ų11260.7 Ų60.759%0.58631%0.312SS*.Hα-helixtrans-60.2-37.1179-71.9-177.8000112.7A94 S95 S96A94-L100 WeakPolarHBondContact O-CD2 3.45Å; S95-L100 WeakPolarHBondContact O-CD1 3.24Å; S96-L100 PolarHBondContact O-N 2.94Å
101L84.4Confident88.5Confident64 Ų6460 Ų6034%0.33531%0.308SS..THydrogen-bonded Turntrans-94.4-3.3-175.5-48.6-176.5000112.5A97 F99 Y306 V308A97-L101 HydrophobicContact CB-CD1 3.81Å; A97-L101 HydrophobicContact CB-CG 4.19Å; A97-L101 VanDerWaalsContact O-CB 3.26Å; A97-L101 WeakPolarHBondContact O-CB 3.47Å; A97-L101 WeakPolarHBondContact O-CG 3.44Å; A97-L101 PolarHBondContact O-N 3.11Å; F99-L101 VanDerWaalsContact C-N 3.26Å; F99-L101 PolarHBondContact O-N 3.42Å; L101-Y306 HydrophobicContact CB-CE2 4.16Å; L101-Y306 WeakPolarHBondContact CB-OH 3.45Å; L101-Y306 HydrophobicContact CD1-CD2 4.02Å; L101-Y306 HydrophobicContact CD1-CE2 3.4Å; L101-Y306 HydrophobicContact CD2-CE2 3.4Å; L101-Y306 WeakPolarHBondContact CD2-OH 3.48Å; L101-Y306 HydrophobicContact CG-CE2 3.76Å; L101-V308 HydrophobicContact CD1-CB 4.26Å; L101-V308 HydrophobicContact CD1-CG2 3.74Å; L101-V308 HydrophobicContact CD2-CG2 4.36Å
102A82.6Confident88.5Confident30 Ų3058.4 Ų58.425%0.24830%0.304CS..  trans-74.6148.3-179.400000110.8F99 P107F99-A102 WeakPolarHBondContact O-CB 3.3Å; F99-A102 PolarHBondContact O-N 3.27Å; A102-P107 HydrophobicContact CB-CB 4.5Å
103N84.5Confident88.4Confident106 Ų10661.3 Ų61.357%0.56732%0.32SS*.  trans-68.4176.5167.867.228.3000110.5Y105 G106N103-Y105 PolarHBondContact O-N 3.41Å; N103-Y105 VanDerWaalsContact OD1-CA 3.26Å; N103-Y105 WeakPolarHBondContact OD1-CA 3.39Å; N103-Y105 VanDerWaalsContact OD1-CB 3.27Å; N103-Y105 WeakPolarHBondContact OD1-CB 3.38Å; N103-Y105 PolarHBondContact OD1-N 3.32Å; N103-G106 PolarHBondContact O-N 3.06Å; N103-G106 PolarHBondContact OD1-N 2.87Å
104R82.7Confident88.5Confident215 Ų21560.7 Ų60.781%0.81132%0.319SS*.THydrogen-bonded Turntrans-52.3-23.3175.9176.5179.1-83.3-107.92.1114.3K221R104-K221 WeakPolarHBondContact O-CE 3.31Å; R104-K221 PolarHBondContact O-NZ 2.89Å
105Y85.6Confident88.9Confident164 Ų16460.4 Ų60.464%0.64332%0.316SS*.THydrogen-bonded Turntrans-91.45.1179.4-57.3-75000113.7N103 Y148N103-Y105 PolarHBondContact O-N 3.41Å; N103-Y105 VanDerWaalsContact OD1-CA 3.26Å; N103-Y105 WeakPolarHBondContact OD1-CA 3.39Å; N103-Y105 VanDerWaalsContact OD1-CB 3.27Å; N103-Y105 WeakPolarHBondContact OD1-CB 3.38Å; N103-Y105 PolarHBondContact OD1-N 3.32Å; Y105-Y148 PolarHBondContact O-OH 3.15Å
106G89.8Confident89.3Confident4 Ų459.8 Ų59.84%0.04130%0.303CS..  trans74.1166.7-179.700000113.5N103N103-G106 PolarHBondContact O-N 3.06Å; N103-G106 PolarHBondContact OD1-N 2.87Å
107P93.7Very high89.7Confident31 Ų3159.1 Ų59.120%0.20130%0.298CS..  trans-65.3147.2174.230.6-36.3000110.7T98 F99 A102 K221 M222 V223T98-P107 HydrophobicContact CG2-CB 4.15Å; T98-P107 HydrophobicContact CG2-CG 3.74Å; T98-P107 WeakPolarHBondContact O-CG 3.39Å; F99-P107 HydrophobicContact CD1-CG 4.34Å; F99-P107 HydrophobicContact CE1-CG 4.26Å; A102-P107 HydrophobicContact CB-CB 4.5Å; P107-K221 VanDerWaalsContact CD-O 3.28Å; P107-K221 WeakPolarHBondContact CD-O 3.31Å; P107-M222 HydrophobicContact CG-CB 3.91Å; P107-V223 PolarHBondContact O-N 2.59Å
108T94.7Very high90.1Very high78 Ų7859.4 Ų59.448%0.47930%0.296SS..EExtended strand (participates in β ladder)trans-110.9128172-58.60000109.5V223 D225T108-V223 CarbonylContact C-O 3.57Å; T108-V223 VanDerWaalsContact CA-O 3.31Å; T108-V223 WeakPolarHBondContact CA-O 3.21Å; T108-V223 HydrophobicContact CG2-CB 4.35Å; T108-V223 HydrophobicContact CG2-CG1 4.4Å; T108-D225 HydrophobicContact CG2-CB 4.07Å
109L93.8Very high90.5Very high42 Ų4257.1 Ų57.122%0.2228%0.282CS..EExtended strand (participates in β ladder)trans-109.6116176.9-179.169.3000109.9L87 V111 L117 V223 M224 D225L87-L109 HydrophobicContact CD1-CD2 4.27Å; L109-V111 HydrophobicContact CD2-CG1 3.8Å; L109-V111 HydrophobicContact CG-CG1 3.73Å; L109-L117 HydrophobicContact CD2-CD1 3.91Å; L109-L117 HydrophobicContact CD2-CD2 3.49Å; L109-L117 VanDerWaalsContact CD2-CD2 3.49Å; L109-L117 HydrophobicContact CD2-CG 4.27Å; L109-V223 PolarHBondContact N-O 2.93Å; L109-M224 CarbonylContact O-C 3.57Å; L109-M224 WeakPolarHBondContact O-CA 3.26Å; L109-D225 PolarHBondContact O-N 3.22Å
110D94.5Very high90.7Very high98 Ų9857.5 Ų57.552%0.52428%0.284SS..EExtended strand (participates in β ladder)trans-79124.8173-67.2-40.6000110.6Q227D110-Q227 HydrophobicContact CB-CG 4.39Å; D110-Q227 PolarHBondContact OD1-NE2 2.72Å
111V94.3Very high91.1Very high1 Ų152.6 Ų52.61%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-133.3156.3-177.5-52.80000111.8L87 L109 V176 M224 D225 V226 Q227L87-V111 HydrophobicContact CD1-CB 4.18Å; L87-V111 HydrophobicContact CD1-CG1 3.51Å; L109-V111 HydrophobicContact CD2-CG1 3.8Å; L109-V111 HydrophobicContact CG-CG1 3.73Å; V111-V176 HydrophobicContact CB-CG2 4.16Å; V111-V176 HydrophobicContact CG2-CG1 4.05Å; V111-V176 HydrophobicContact CG2-CG2 4.01Å; V111-M224 HydrophobicContact CB-CG 4.35Å; V111-M224 HydrophobicContact CG1-CG 3.85Å; V111-M224 HydrophobicContact CG1-SD 4.41Å; V111-M224 HydrophobicContact CG2-CG 3.47Å; V111-M224 VanDerWaalsContact CG2-CG 3.47Å; V111-M224 HydrophobicContact CG2-SD 3.88Å; V111-D225 PolarHBondContact N-O 2.98Å; V111-V226 HydrophobicContact CG2-CB 4.21Å; V111-V226 HydrophobicContact CG2-CG1 4.42Å; V111-V226 HydrophobicContact CG2-CG2 3.75Å; V111-V226 CarbonylContact O-C 3.58Å; V111-V226 WeakPolarHBondContact O-CA 3.08Å; V111-Q227 PolarHBondContact O-N 3.27Å
112Q92.9Very high91.5Very high71 Ų7149.7 Ų49.733%0.33224%0.244SC..  trans-114.1159.5171.2-61.5-174.19.300111.1G114 D115 V176 Q227 N232Q112-G114 PolarHBondContact O-N 3.13Å; Q112-D115 PolarHBondContact N-OD2 3.15Å; Q112-D115 VanDerWaalsContact O-CB 3.3Å; Q112-D115 WeakPolarHBondContact O-CB 3.45Å; Q112-D115 PolarHBondContact O-N 3.24Å; Q112-D115 VanDerWaalsContact O-N 3.15Å; Q112-V176 WeakPolarHBondContact O-CB 3.38Å; Q112-Q227 HydrophobicContact CG-CB 4.33Å; Q112-N232 PolarHBondContact NE2-ND2 3.06Å; Q112-N232 VanDerWaalsContact NE2-ND2 3.13Å; Q112-N232 PolarHBondContact NE2-OD1 3.21Å; Q112-N232 PolarHBondContact OE1-ND2 3.2Å
113I92.2Very high91.7Very high62 Ų6251.7 Ų51.732%0.31825%0.246SC..THydrogen-bonded Turntrans-62.3129.8171.8-60.5-57.5000108.9V176 E178 F188 P190 V226I113-V176 HydrophobicContact CD1-CG1 4.02Å; I113-E178 HydrophobicContact CD1-CG 3.89Å; I113-E178 HydrophobicContact CG1-CG 4.21Å; I113-E178 HydrophobicContact CG2-CG 4.23Å; I113-F188 HydrophobicContact CD1-CB 4.41Å; I113-P190 HydrophobicContact CD1-CG 4.26Å; I113-P190 HydrophobicContact CG1-CG 3.82Å; I113-V226 HydrophobicContact CD1-CG1 3.74Å; I113-V226 HydrophobicContact CG1-CG1 4.36Å
114G90.5Very high91.7Very high14 Ų1449.3 Ų49.314%0.14423%0.229CC..THydrogen-bonded Turntrans100.4-14.3-17600000113.7C84 Q112 V176C84-G114 PolarHBondContact SG-O 2.88Å; Q112-G114 PolarHBondContact O-N 3.13Å; G114-V176 PolarHBondContact N-O 2.75Å
115D93.4Very high91.2Very high5 Ų541.2 Ų41.23%0.02721%0.206CC..  trans-66.7152.1178.6-70.3-2.2000111.9R85 L87 Q112 V176R85-D115 WeakPolarHBondContact CB-OD1 3.31Å; R85-D115 WeakPolarHBondContact O-CA 3.42Å; L87-D115 HydrophobicContact CD1-CB 3.97Å; L87-D115 HydrophobicContact CG-CB 4.21Å; Q112-D115 PolarHBondContact N-OD2 3.15Å; Q112-D115 VanDerWaalsContact O-CB 3.3Å; Q112-D115 WeakPolarHBondContact O-CB 3.45Å; Q112-D115 PolarHBondContact O-N 3.24Å; Q112-D115 VanDerWaalsContact O-N 3.15Å; D115-V176 HydrophobicContact CB-CG2 4.32Å; D115-V176 PolarHBondContact O-N 3.11Å
116R93Very high90.4Very high64 Ų6437.4 Ų37.424%0.24220%0.2CC..EExtended strand (participates in β ladder)trans-117138173.3-66.6-171.8177.3174.3-3.4110.3C5 R85 Q86 L87 L174 V175C5-R116 PolarHBondContact O-NH2 2.74Å; R85-R116 PolarHBondContact O-N 2.88Å; Q86-R116 VanDerWaalsContact OE1-CB 3.24Å; L87-R116 WeakPolarHBondContact CB-O 3.33Å; L87-R116 PolarHBondContact N-O 3.12Å; R116-L174 WeakPolarHBondContact CA-O 3.24Å; R116-V175 HydrophobicContact CG-CG1 4.41Å; R116-V175 HydrophobicContact CG-CG2 4.18Å
117L93.8Very high88.9Confident0 Ų042 Ų420%023%0.229CC..EExtended strand (participates in β ladder)trans-132.8136.4178.2173.966.6000108.8L87 A88 V90 L109 I119 T173 L174 M224L87-L117 HydrophobicContact CB-CD1 4.08Å; L87-L117 HydrophobicContact CD1-CB 4.28Å; A88-L117 VanDerWaalsContact O-CD1 3.24Å; A88-L117 WeakPolarHBondContact O-CD1 3.36Å; V90-L117 HydrophobicContact CG2-CD1 3.92Å; L109-L117 HydrophobicContact CD2-CD1 3.91Å; L109-L117 HydrophobicContact CD2-CD2 3.49Å; L109-L117 VanDerWaalsContact CD2-CD2 3.49Å; L109-L117 HydrophobicContact CD2-CG 4.27Å; L117-I119 HydrophobicContact CD2-CG1 4.34Å; L117-T173 CarbonylContact O-C 3.53Å; L117-T173 WeakPolarHBondContact O-CA 3.49Å; L117-L174 HydrophobicContact CB-CB 4.47Å; L117-L174 PolarHBondContact N-O 2.81Å; L117-L174 PolarHBondContact O-N 2.71Å; L117-M224 HydrophobicContact CD2-CE 3.91Å
118N94.7Very high87Confident29 Ų2945.1 Ų45.116%0.15525%0.247CC..EExtended strand (participates in β ladder)trans-103.1134.2164.3-53.9-52.3000109.7Q86 D89 V90 L120 P171 T173Q86-N118 PolarHBondContact NE2-ND2 3.02Å; Q86-N118 VanDerWaalsContact NE2-ND2 3.19Å; D89-N118 WeakPolarHBondContact CA-O 3.34Å; D89-N118 HydrophobicContact CB-CB 4.45Å; D89-N118 VanDerWaalsContact OD1-CB 3.32Å; D89-N118 WeakPolarHBondContact OD1-CB 3.29Å; D89-N118 PolarHBondContact OD1-ND2 3.33Å; V90-N118 PolarHBondContact N-O 3.16Å; N118-L120 HydrophobicContact CB-CD2 4.21Å; N118-P171 HydrophobicContact CB-CB 4.45Å; N118-T173 WeakPolarHBondContact OD1-CB 3.19Å; N118-T173 WeakPolarHBondContact OD1-CG2 3.31Å; N118-T173 PolarHBondContact OD1-OG1 2.74Å
119I94.8Very high84.9Confident0 Ų046.3 Ų46.30%027%0.265CS..EExtended strand (participates in β ladder)trans-101.3118.1164.7-57.3173.1000106.6V90 W92 L117 I140 V160 L172 L174 M222V90-I119 CarbonylContact O-C 3.52Å; V90-I119 WeakPolarHBondContact O-CA 3.42Å; W92-I119 HydrophobicContact CB-CG2 3.65Å; W92-I119 HydrophobicContact CD2-CG2 4.09Å; W92-I119 HydrophobicContact CE3-CG2 3.69Å; W92-I119 HydrophobicContact CG-CG2 4.11Å; L117-I119 HydrophobicContact CD2-CG1 4.34Å; I119-I140 HydrophobicContact CG2-CD1 3.62Å; I119-V160 HydrophobicContact CD1-CG1 4.27Å; I119-L172 HydrophobicContact CB-CB 4.25Å; I119-L172 PolarHBondContact N-O 3.06Å; I119-L172 WeakPolarHBondContact O-CB 3.28Å; I119-L172 PolarHBondContact O-N 3.49Å; I119-L174 HydrophobicContact CD1-CD1 3.7Å; I119-L174 HydrophobicContact CD1-CG 4.49Å; I119-L174 HydrophobicContact CG1-CD1 4.46Å; I119-M222 HydrophobicContact CD1-CE 3.58Å; I119-M222 HydrophobicContact CG1-CE 4.29Å
120L94Very high82.8Confident18 Ų1848.7 Ų48.79%0.09429%0.291CS..EExtended strand (participates in β ladder)trans-92.8124.7-176.8-57.6-179.9000109.7D89 V90 Y91 W92 N118 P171D89-L120 HydrophobicContact CB-CD1 3.72Å; D89-L120 HydrophobicContact CB-CG 3.98Å; V90-L120 PolarHBondContact O-N 2.92Å; Y91-L120 HydrophobicContact CD1-CB 4.2Å; Y91-L120 HydrophobicContact CD1-CD1 3.94Å; Y91-L120 HydrophobicContact CD2-CD1 4.48Å; Y91-L120 HydrophobicContact CE1-CB 4.49Å; Y91-L120 HydrophobicContact CE1-CD1 3.48Å; Y91-L120 VanDerWaalsContact CE1-CD1 3.48Å; Y91-L120 HydrophobicContact CE2-CD1 4.06Å; Y91-L120 HydrophobicContact CG-CD1 4.43Å; W92-L120 WeakPolarHBondContact CB-O 3.23Å; W92-L120 PolarHBondContact N-O 3.09Å; N118-L120 HydrophobicContact CB-CD2 4.21Å; L120-P171 HydrophobicContact CD2-CB 3.7Å
121C94Very high80.8Confident8 Ų849.6 Ų49.65%0.05430%0.3CS..PPolyproline II helixtrans-63.6150.4171-70.90000111.4Y123 C163 T170C121-Y123 PolarHBondContact O-N 3.42Å; C121-C163 VanDerWaalsContact CA-SG 3.53Å; C121-C163 HydrophobicContact CB-CB 3.61Å; C121-C163 WeakPolarHBondContact CB-SG 3.49Å; C121-C163 WeakPolarHBondContact SG-CA 3.3Å; C121-C163 WeakPolarHBondContact SG-CB 3.42Å; C121-C163 CovalentContact SG-SG 2.03Å; C121-C163 PolarHBondContact SG-SG 2.91Å; C121-T170 WeakPolarHBondContact CB-O 3.27Å; C121-T170 PolarHBondContact N-O 3.02Å
122P91.5Very high78.9Confident4 Ų454 Ų543%0.02633%0.329CS..PPolyproline II helixtrans-53.6134169.5-28.438.9000111.4W92 N93 Y124 D135 L138W92-P122 WeakPolarHBondContact O-CD 3.42Å; W92-P122 WeakPolarHBondContact O-CG 3.47Å; N93-P122 HydrophobicContact CB-CG 4.12Å; P122-Y124 HydrophobicContact CB-CE2 3.71Å; P122-D135 WeakPolarHBondContact CG-O 3.28Å; P122-L138 HydrophobicContact CG-CD2 4.01Å
123Y87.5Confident77.6Confident72 Ų7254.4 Ų54.428%0.28233%0.328SS..  trans-128.4133.4-177.6168.5-106.1000110.3C121 S125 P166 E167 T168 V169C121-Y123 PolarHBondContact O-N 3.42Å; Y123-S125 WeakPolarHBondContact CE1-OG 3.31Å; Y123-S125 WeakPolarHBondContact OH-CB 3.42Å; Y123-S125 PolarHBondContact OH-OG 2.76Å; Y123-P166 CarbonylContact C-O 3.56Å; Y123-P166 WeakPolarHBondContact CA-O 3.3Å; Y123-E167 VanDerWaalsContact CE2-O 3.31Å; Y123-E167 WeakPolarHBondContact CE2-O 2.91Å; Y123-T168 VanDerWaalsContact CD2-C 3.5Å; Y123-V169 HydrophobicContact CD1-CG2 3.77Å; Y123-V169 HydrophobicContact CD2-CG2 3.77Å; Y123-V169 HydrophobicContact CE1-CG2 4.15Å; Y123-V169 HydrophobicContact CE2-CG2 4.13Å; Y123-V169 HydrophobicContact CG-CG2 3.56Å
124Y83.5Confident76.3Confident55 Ų5556.9 Ų56.922%0.21634%0.341CS..  trans-134.2111.8-180-52.7-90.9000108.7P122 T126 D135 A136 P166P122-Y124 HydrophobicContact CB-CE2 3.71Å; Y124-T126 VanDerWaalsContact C-N 3.3Å; Y124-T126 PolarHBondContact O-N 3.14Å; Y124-D135 PolarHBondContact OH-OD1 2.8Å; Y124-A136 HydrophobicContact CD2-CB 4.46Å; Y124-A136 HydrophobicContact CE2-CB 3.97Å; Y124-P166 HydrophobicContact CD2-CB 3.83Å; Y124-P166 HydrophobicContact CE2-CB 4.36Å; Y124-P166 PolarHBondContact N-O 3.02Å
125S73.4Confident75.3Confident45 Ų4556.8 Ų56.832%0.31534%0.337SS..SBendtrans-68.5-24.5-174.1-59.70000114.1Y123 Q317Y123-S125 WeakPolarHBondContact CE1-OG 3.31Å; Y123-S125 WeakPolarHBondContact OH-CB 3.42Å; Y123-S125 PolarHBondContact OH-OG 2.76Å; S125-Q317 PolarHBondContact OG-NE2 3.29Å; S125-Q317 PolarHBondContact OG-OE1 3.05Å
126T69.2Low74.8Confident84 Ų8456.5 Ų56.552%0.51534%0.336SS..SBendtrans-134.1142-176.158.50000112.1Y124 T128Y124-T126 VanDerWaalsContact C-N 3.3Å; Y124-T126 PolarHBondContact O-N 3.14Å; T126-T128 WeakPolarHBondContact CB-OG1 3.45Å; T126-T128 PolarHBondContact O-N 3.01Å; T126-T128 PolarHBondContact OG1-OG1 2.79Å
127P57.3Low74.7Confident100 Ų10055.2 Ų55.265%0.64933%0.331SS*.  trans-76.358.7163.732.8-32.8000111.4
128T54.2Low74.8Confident97 Ų9755.2 Ų55.260%0.59533%0.331SS*.  trans-87.8120.2170.7-400000108.7T126 A130T126-T128 WeakPolarHBondContact CB-OG1 3.45Å; T126-T128 PolarHBondContact O-N 3.01Å; T126-T128 PolarHBondContact OG1-OG1 2.79Å; T128-A130 PolarHBondContact O-N 2.89Å
129A50Low74.9Confident104 Ų10454.6 Ų54.686%0.8633%0.327SS*.THydrogen-bonded Turntrans-88.928.1-153.100000116.1
130A50.3Low75Confident92 Ų9254.6 Ų54.676%0.7633%0.327SS*.THydrogen-bonded Turntrans-100.8-25.2-17100000115.1T128T128-A130 PolarHBondContact O-N 2.89Å
131T51.6Low75.2Confident116 Ų11655.5 Ų55.571%0.71233%0.329SS*.SBendtrans-115.1127.8178.634.60000110.9R133T131-R133 PolarHBondContact O-N 2.85Å; T131-R133 VanDerWaalsContact O-N 3.15Å
132P54.8Low75.3Confident95 Ų9557.3 Ų57.362%0.61734%0.335SS*.  trans-56.4126.4172.922.6-30000107.9L134P132-L134 HydrophobicContact CB-CD2 4.06Å; P132-L134 HydrophobicContact CB-CG 4.03Å; P132-L134 HydrophobicContact CG-CD1 4.21Å; P132-L134 HydrophobicContact CG-CD2 4.29Å; P132-L134 HydrophobicContact CG-CG 4.07Å; P132-L134 WeakPolarHBondContact O-CG 3.28Å; P132-L134 PolarHBondContact O-N 3.35Å
133R66.6Low75.6Confident79 Ų7957.1 Ų57.130%0.29833%0.334SS..  trans-75.469179.8-59.9-178.1-177178.6-1.9109.4T131 D135 A136T131-R133 PolarHBondContact O-N 2.85Å; T131-R133 VanDerWaalsContact O-N 3.15Å; R133-D135 PolarHBondContact O-N 3.04Å; R133-A136 HydrophobicContact CB-CB 3.65Å; R133-A136 HydrophobicContact CG-CB 4.47Å; R133-A136 PolarHBondContact O-N 2.83Å
134L64Low76.1Confident113 Ų11355.4 Ų55.459%0.59233%0.331SS*.THydrogen-bonded Turntrans-63.5-3-167.3-69167.2000114.2P132 G202P132-L134 HydrophobicContact CB-CD2 4.06Å; P132-L134 HydrophobicContact CB-CG 4.03Å; P132-L134 HydrophobicContact CG-CD1 4.21Å; P132-L134 HydrophobicContact CG-CD2 4.29Å; P132-L134 HydrophobicContact CG-CG 4.07Å; P132-L134 WeakPolarHBondContact O-CG 3.28Å; P132-L134 PolarHBondContact O-N 3.35Å; L134-G202 WeakPolarHBondContact O-CA 3.5Å
135D70.4Confident76.8Confident12 Ų1258.2 Ų58.26%0.06435%0.345CS..THydrogen-bonded Turntrans-148.220.5-179.860.7-33.8000113.7N93 A94 P122 Y124 R133 Y137 L214N93-D135 VanDerWaalsContact CA-OD2 3.31Å; N93-D135 WeakPolarHBondContact CA-OD2 3.44Å; N93-D135 PolarHBondContact OD1-OD2 2.93Å; A94-D135 PolarHBondContact N-OD2 2.99Å; P122-D135 WeakPolarHBondContact CG-O 3.28Å; Y124-D135 PolarHBondContact OH-OD1 2.8Å; R133-D135 PolarHBondContact O-N 3.04Å; D135-Y137 VanDerWaalsContact C-N 3.33Å; D135-Y137 PolarHBondContact O-N 2.89Å; D135-L214 HydrophobicContact CB-CD1 3.95Å; D135-L214 HydrophobicContact CB-CD2 4.38Å
136A81.6Confident77.9Confident0 Ų059.6 Ų59.60%035%0.349CS..SBendtrans-68.3-29.4-177.900000114.4Y124 R133 P166Y124-A136 HydrophobicContact CD2-CB 4.46Å; Y124-A136 HydrophobicContact CE2-CB 3.97Å; R133-A136 HydrophobicContact CB-CB 3.65Å; R133-A136 HydrophobicContact CG-CB 4.47Å; R133-A136 PolarHBondContact O-N 2.83Å; A136-P166 HydrophobicContact CB-CB 3.85Å; A136-P166 HydrophobicContact CB-CG 4.12Å
137Y92.1Very high79.3Confident37 Ų3755.6 Ų55.615%0.14532%0.324CS..BIsolated β-bridgetrans-121116-177.5-59.7-82.1000110.3D135 C163 A164 P166 G202 S203 R204D135-Y137 VanDerWaalsContact C-N 3.33Å; D135-Y137 PolarHBondContact O-N 2.89Å; Y137-C163 WeakPolarHBondContact CA-O 3.37Å; Y137-A164 WeakPolarHBondContact CE1-O 3.12Å; Y137-P166 HydrophobicContact CE1-CG 4.13Å; Y137-G202 PolarHBondContact N-O 3.26Å; Y137-G202 VanDerWaalsContact N-O 3.12Å; Y137-G202 CarbonylContact O-C 3.58Å; Y137-G202 VanDerWaalsContact O-CA 3.29Å; Y137-G202 WeakPolarHBondContact O-CA 3.48Å; Y137-S203 WeakPolarHBondContact CB-O 3.38Å; Y137-R204 HydrophobicContact CD1-CB 4.46Å; Y137-R204 HydrophobicContact CD2-CB 4.11Å; Y137-R204 HydrophobicContact CE2-CB 4.3Å; Y137-R204 HydrophobicContact CG-CB 4.18Å; Y137-R204 PolarHBondContact OH-NH2 3.14Å
138L95.5Very high81.2Confident0 Ų051.2 Ų51.20%030%0.295CS..EExtended strand (participates in β ladder)trans-152.8157.3-177.761.483.2000114.6P122 I140 C163 T198 S200 L214 M220P122-L138 HydrophobicContact CG-CD2 4.01Å; L138-I140 HydrophobicContact CD1-CD1 3.99Å; L138-I140 HydrophobicContact CD1-CG1 3.53Å; L138-C163 HydrophobicContact CD1-CB 3.82Å; L138-C163 WeakPolarHBondContact CD1-SG 3.31Å; L138-C163 HydrophobicContact CG-CB 3.88Å; L138-C163 PolarHBondContact N-O 2.8Å; L138-C163 PolarHBondContact O-N 2.03Å; L138-T198 HydrophobicContact CB-CG2 3.67Å; L138-T198 HydrophobicContact CD2-CG2 4.45Å; L138-T198 HydrophobicContact CG-CG2 4.45Å; L138-S200 WeakPolarHBondContact CA-OG 3.36Å; L138-L214 HydrophobicContact CD2-CD1 4.37Å; L138-M220 HydrophobicContact CD2-CE 4.14Å
139E96.6Very high83.2Confident15 Ų1552.1 Ų52.17%0.0729%0.292CS..EExtended strand (participates in β ladder)trans-116.5138.1170.4-67.9174.1-175.900109.5Y141 V162 T198 S200 M207 S208E139-Y141 HydrophobicContact CB-CD2 4.18Å; E139-Y141 HydrophobicContact CB-CE2 3.46Å; E139-Y141 VanDerWaalsContact CB-CE2 3.46Å; E139-Y141 HydrophobicContact CG-CE2 4.47Å; E139-Y141 WeakPolarHBondContact OE2-CE2 3.4Å; E139-Y141 VanDerWaalsContact OE2-CZ 3.3Å; E139-Y141 PolarHBondContact OE2-OH 2.91Å; E139-V162 HydrophobicContact CG-CG1 4.2Å; E139-V162 HydrophobicContact CG-CG2 4.26Å; E139-T198 WeakPolarHBondContact O-CA 3.36Å; E139-T198 WeakPolarHBondContact O-CB 3.32Å; E139-T198 WeakPolarHBondContact O-CG2 3.43Å; E139-T198 PolarHBondContact O-OG1 2.84Å; E139-S200 PolarHBondContact N-OG 2.8Å; E139-M207 HydrophobicContact CG-CG 4Å; E139-S208 PolarHBondContact OE1-OG 2.62Å
140I97Very high85.4Confident0 Ų052 Ų520%027%0.272CS..EExtended strand (participates in β ladder)trans-110129.9179.1-51.4176.2000107.9W92 I119 L138 V160 G161 L172W92-I140 HydrophobicContact CB-CD1 4.01Å; W92-I140 HydrophobicContact CD2-CD1 3.7Å; W92-I140 HydrophobicContact CD2-CG1 4.21Å; W92-I140 HydrophobicContact CD2-CG2 4.46Å; W92-I140 HydrophobicContact CE3-CD1 4.28Å; W92-I140 HydrophobicContact CG-CD1 3.52Å; W92-I140 HydrophobicContact CG-CG1 4.17Å; W92-I140 HydrophobicContact CH2-CG2 4.11Å; W92-I140 HydrophobicContact CZ2-CG2 3.93Å; W92-I140 HydrophobicContact CZ3-CG2 4.43Å; I119-I140 HydrophobicContact CG2-CD1 3.62Å; L138-I140 HydrophobicContact CD1-CD1 3.99Å; L138-I140 HydrophobicContact CD1-CG1 3.53Å; I140-V160 HydrophobicContact CB-CB 4.2Å; I140-V160 HydrophobicContact CG2-CB 4.14Å; I140-V160 HydrophobicContact CG2-CG1 4.4Å; I140-V160 HydrophobicContact CG2-CG2 4.37Å; I140-V160 VanDerWaalsContact O-CB 3.28Å; I140-V160 WeakPolarHBondContact O-CB 3.28Å; I140-V160 PolarHBondContact O-N 2.95Å; I140-G161 PolarHBondContact N-O 3.18Å; I140-L172 HydrophobicContact CD1-CD1 3.7Å
141Y97.9Very high87.7Confident37 Ų3748 Ų4815%0.14524%0.239CC..EExtended strand (participates in β ladder)trans-123.3140.3-177.7-72.5-90.3000111.4E139 L153 K158 I159 F196 I197E139-Y141 HydrophobicContact CB-CD2 4.18Å; E139-Y141 HydrophobicContact CB-CE2 3.46Å; E139-Y141 VanDerWaalsContact CB-CE2 3.46Å; E139-Y141 HydrophobicContact CG-CE2 4.47Å; E139-Y141 WeakPolarHBondContact OE2-CE2 3.4Å; E139-Y141 VanDerWaalsContact OE2-CZ 3.3Å; E139-Y141 PolarHBondContact OE2-OH 2.91Å; Y141-L153 HydrophobicContact CD1-CD1 4.35Å; Y141-L153 HydrophobicContact CD1-CD2 4.12Å; Y141-L153 HydrophobicContact CD2-CD1 4.03Å; Y141-L153 HydrophobicContact CD2-CD2 3.7Å; Y141-L153 HydrophobicContact CE1-CD1 4.1Å; Y141-L153 HydrophobicContact CE2-CD1 3.75Å; Y141-L153 HydrophobicContact CE2-CD2 4.3Å; Y141-L153 HydrophobicContact CG-CD1 4.32Å; Y141-L153 HydrophobicContact CG-CD2 3.6Å; Y141-K158 CarbonylContact C-O 3.59Å; Y141-K158 WeakPolarHBondContact CA-O 3.24Å; Y141-I159 HydrophobicContact CD1-CB 4.17Å; Y141-I159 HydrophobicContact CE1-CB 3.82Å; Y141-I159 HydrophobicContact CE1-CD1 4.48Å; Y141-I159 HydrophobicContact CE1-CG1 4.09Å; Y141-F196 CarbonylContact O-C 3.59Å; Y141-F196 WeakPolarHBondContact O-CA 3.43Å; Y141-I197 PolarHBondContact N-O 2.8Å; Y141-I197 PolarHBondContact O-N 2.76Å
142R97.5Very high89.9Confident46 Ų4645.3 Ų45.317%0.17422%0.218CC..EExtended strand (participates in β ladder)trans-85.5121.2159.9-177.9-110.274.8114.1-10.8108.4P144 G156 S157 K158 V160 L186 Y195 F196R142-P144 VanDerWaalsContact NH2-CD 3.33Å; R142-P144 VanDerWaalsContact NH2-N 3.14Å; R142-G156 PolarHBondContact NH2-O 2.91Å; R142-S157 CarbonylContact O-C 3.59Å; R142-S157 WeakPolarHBondContact O-CA 3.36Å; R142-K158 PolarHBondContact N-O 3.05Å; R142-K158 PolarHBondContact O-N 2.79Å; R142-V160 HydrophobicContact CB-CG2 4.07Å; R142-L186 HydrophobicContact CB-CD1 4.46Å; R142-L186 HydrophobicContact CB-CD2 3.88Å; R142-L186 HydrophobicContact CG-CD2 4.34Å; R142-Y195 CarbonylContact C-O 3.55Å; R142-Y195 VanDerWaalsContact CA-O 3.31Å; R142-Y195 WeakPolarHBondContact CA-O 3.33Å; R142-F196 HydrophobicContact CB-CD1 4.24Å; R142-F196 HydrophobicContact CB-CE1 4.05Å; R142-F196 HydrophobicContact CG-CE1 4.4Å; R142-F196 HydrophobicContact CG-CZ 4.41Å
143V97.7Very high92Very high0 Ų042.9 Ų42.90%020%0.2CC..EExtended strand (participates in β ladder)trans-119.9159.2-173.7-60.10000112.1L153 S157 Y195 I197V143-L153 HydrophobicContact CG1-CD2 4.02Å; V143-S157 WeakPolarHBondContact CG1-OG 3.44Å; V143-Y195 PolarHBondContact N-O 2.78Å; V143-I197 HydrophobicContact CB-CD1 4.44Å; V143-I197 HydrophobicContact CG1-CD1 3.74Å; V143-I197 HydrophobicContact CG1-CG1 3.69Å; V143-I197 HydrophobicContact CG2-CD1 4.07Å; V143-I197 HydrophobicContact CG2-CG1 4.09Å; V143-I197 HydrophobicContact CG2-CG2 3.92Å
144P97.4Very high93.3Very high36 Ų3640.9 Ų40.923%0.23420%0.198CC..  trans-62.1161163.5-17.531.1000111.1R142 D146 G147 Y148 S154 E155R142-P144 VanDerWaalsContact NH2-CD 3.33Å; R142-P144 VanDerWaalsContact NH2-N 3.14Å; P144-D146 PolarHBondContact O-N 3.25Å; P144-G147 PolarHBondContact O-N 3.12Å; P144-G147 VanDerWaalsContact O-N 3.12Å; P144-Y148 PolarHBondContact O-N 2.89Å; P144-Y148 VanDerWaalsContact O-N 3.11Å; P144-S154 WeakPolarHBondContact CD-OG 3.04Å; P144-E155 WeakPolarHBondContact CG-O 3.47Å
145K97.3Very high94.8Very high115 Ų11544.8 Ų44.850%0.521%0.213SC..Hα-helixtrans-54-40178.7-174.1180170-173.60112.8G147 Y148 E149 Y195K145-G147 PolarHBondContact O-N 3.22Å; K145-Y148 VanDerWaalsContact O-CB 3.3Å; K145-Y148 WeakPolarHBondContact O-CB 3.21Å; K145-Y148 PolarHBondContact O-N 3.19Å; K145-E149 WeakPolarHBondContact CE-OE1 3.31Å; K145-E149 IonicContact NZ-OE1 3.78Å; K145-E149 PolarHBondContact O-N 3.2Å; K145-E149 VanDerWaalsContact O-N 3.09Å; K145-Y195 HydrophobicContact CB-CD2 4.08Å; K145-Y195 HydrophobicContact CB-CE2 3.61Å; K145-Y195 HydrophobicContact CG-CE1 4.39Å; K145-Y195 HydrophobicContact CG-CE2 3.98Å
146D97.1Very high95.9Very high73 Ų7346.4 Ų46.439%0.3923%0.233SC..Hα-helixtrans-61.6-44.2178.7-172.171.9000112.4P144 Y148 E149 K150P144-D146 PolarHBondContact O-N 3.25Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 3.12Å; D146-E149 PolarHBondContact O-N 3.48Å; D146-K150 WeakPolarHBondContact O-CB 3.46Å; D146-K150 PolarHBondContact O-N 2.84Å; D146-K150 VanDerWaalsContact O-N 3.11Å; D146-K150 WeakPolarHBondContact OD1-CE 3.47Å; D146-K150 IonicContact OD1-NZ 2.74Å; D146-K150 PolarHBondContact OD1-NZ 3.11Å; D146-K150 IonicContact OD2-NZ 2.71Å; D146-K150 PolarHBondContact OD2-NZ 2.9Å
147G97.6Very high96.6Very high0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-65.1-32.8175.800000113.1P144 K145 C151 M152P144-G147 PolarHBondContact O-N 3.12Å; P144-G147 VanDerWaalsContact O-N 3.12Å; K145-G147 PolarHBondContact O-N 3.22Å; G147-C151 CarbonylContact O-C 3.53Å; G147-C151 VanDerWaalsContact O-CA 3.28Å; G147-C151 WeakPolarHBondContact O-CA 3.45Å; G147-C151 PolarHBondContact O-N 2.82Å; G147-M152 CarbonylContact C-O 3.6Å; G147-M152 WeakPolarHBondContact CA-O 3.5Å; G147-M152 PolarHBondContact O-N 2.9Å
148Y97.8Very high96.7Very high9 Ų949.8 Ų49.84%0.03525%0.253CS..Hα-helixtrans-65.1-45.5174.8-176.9-100.6000112.9Y105 P144 K145 D146 Y195 I197 K221 M222 V223Y105-Y148 PolarHBondContact O-OH 3.15Å; P144-Y148 PolarHBondContact O-N 2.89Å; P144-Y148 VanDerWaalsContact O-N 3.11Å; K145-Y148 VanDerWaalsContact O-CB 3.3Å; K145-Y148 WeakPolarHBondContact O-CB 3.21Å; K145-Y148 PolarHBondContact O-N 3.19Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 3.12Å; Y148-Y195 AromaticContact CD1-CD1 3.74Å; Y148-Y195 HydrophobicContact CD1-CD1 3.74Å; Y148-Y195 HydrophobicContact CD1-CE1 4.3Å; Y148-Y195 AromaticContact CD2-CD1 3.9Å; Y148-Y195 HydrophobicContact CD2-CD1 3.9Å; Y148-Y195 HydrophobicContact CD2-CG 4.16Å; Y148-Y195 HydrophobicContact CE1-CD1 4.13Å; Y148-Y195 HydrophobicContact CE2-CD1 4.21Å; Y148-Y195 AromaticContact CG-CD1 3.61Å; Y148-Y195 HydrophobicContact CG-CD1 3.61Å; Y148-Y195 AromaticContact CG-CG 3.98Å; Y148-Y195 HydrophobicContact CG-CG 3.98Å; Y148-I197 HydrophobicContact CD2-CG2 3.59Å; Y148-I197 HydrophobicContact CE2-CG2 4.24Å; Y148-I197 HydrophobicContact CG-CG2 4.46Å; Y148-K221 HydrophobicContact CD2-CB 4.16Å; Y148-K221 HydrophobicContact CD2-CD 4.36Å; Y148-K221 HydrophobicContact CE1-CD 4.12Å; Y148-K221 HydrophobicContact CE2-CB 3.53Å; Y148-K221 HydrophobicContact CE2-CD 3.84Å; Y148-K221 HydrophobicContact CE2-CG 3.79Å; Y148-M222 WeakPolarHBondContact CE2-O 3.32Å; Y148-V223 HydrophobicContact CE1-CG2 4.12Å; Y148-V223 HydrophobicContact CE2-CG2 4.35Å; Y148-V223 WeakPolarHBondContact OH-CG2 3.43Å
149E96.5Very high96.8Very high116 Ų11653.7 Ų53.754%0.54227%0.272SS..Hα-helixtrans-70.6-37.9-177.6-70.7176174.800111.7K145 D146K145-E149 WeakPolarHBondContact CE-OE1 3.31Å; K145-E149 IonicContact NZ-OE1 3.78Å; K145-E149 PolarHBondContact O-N 3.2Å; K145-E149 VanDerWaalsContact O-N 3.09Å; D146-E149 PolarHBondContact O-N 3.48Å
150K97.1Very high96.7Very high102 Ų10254.3 Ų54.344%0.44328%0.277SS..Hα-helixtrans-88.2-8.6-178.6-66.6172.5-174.6164.70114.1D146 M152 R216D146-K150 WeakPolarHBondContact O-CB 3.46Å; D146-K150 PolarHBondContact O-N 2.84Å; D146-K150 VanDerWaalsContact O-N 3.11Å; D146-K150 WeakPolarHBondContact OD1-CE 3.47Å; D146-K150 IonicContact OD1-NZ 2.74Å; D146-K150 PolarHBondContact OD1-NZ 3.11Å; D146-K150 IonicContact OD2-NZ 2.71Å; D146-K150 PolarHBondContact OD2-NZ 2.9Å; K150-M152 HydrophobicContact CB-CE 4.18Å; K150-M152 HydrophobicContact CB-CG 3.73Å; K150-M152 HydrophobicContact CB-SD 3.95Å; K150-M152 HydrophobicContact CD-SD 3.87Å; K150-R216 PolarHBondContact O-NH2 2.94Å; K150-R216 VanDerWaalsContact O-NH2 3.16Å
151C97.8Very high96.6Very high7 Ų754.9 Ų54.95%0.04728%0.283CS..THydrogen-bonded Turntrans52.658.3-168.6-73.40000112G147 N211 G212 C215 R216G147-C151 CarbonylContact O-C 3.53Å; G147-C151 VanDerWaalsContact O-CA 3.28Å; G147-C151 WeakPolarHBondContact O-CA 3.45Å; G147-C151 PolarHBondContact O-N 2.82Å; C151-N211 PolarHBondContact O-OD1 3.45Å; C151-G212 PolarHBondContact O-N 2.52Å; C151-C215 WeakPolarHBondContact CA-SG 3.48Å; C151-C215 HydrophobicContact CB-CB 3.63Å; C151-C215 WeakPolarHBondContact CB-SG 3.41Å; C151-C215 WeakPolarHBondContact SG-CB 3.4Å; C151-C215 PolarHBondContact SG-O 2.94Å; C151-C215 CovalentContact SG-SG 2.05Å; C151-C215 PolarHBondContact SG-SG 2.97Å; C151-R216 HydrophobicContact CB-CB 4.31Å
152M98.1Very high96.5Very high59 Ų5955.8 Ų55.829%0.29129%0.292SS..BIsolated β-bridgetrans-144.9148.6177.560.3177.24200111.9G147 K150 A210 N211G147-M152 CarbonylContact C-O 3.6Å; G147-M152 WeakPolarHBondContact CA-O 3.5Å; G147-M152 PolarHBondContact O-N 2.9Å; K150-M152 HydrophobicContact CB-CE 4.18Å; K150-M152 HydrophobicContact CB-CG 3.73Å; K150-M152 HydrophobicContact CB-SD 3.95Å; K150-M152 HydrophobicContact CD-SD 3.87Å; M152-A210 WeakPolarHBondContact CA-O 3.33Å; M152-N211 HydrophobicContact CB-CB 4.5Å
153L97.9Very high96.4Very high45 Ų4553.7 Ų53.724%0.23629%0.285CS..  trans-75.7126.5171-53.2-174.4000108.6Y141 V143 I197 T199 A210Y141-L153 HydrophobicContact CD1-CD1 4.35Å; Y141-L153 HydrophobicContact CD1-CD2 4.12Å; Y141-L153 HydrophobicContact CD2-CD1 4.03Å; Y141-L153 HydrophobicContact CD2-CD2 3.7Å; Y141-L153 HydrophobicContact CE1-CD1 4.1Å; Y141-L153 HydrophobicContact CE2-CD1 3.75Å; Y141-L153 HydrophobicContact CE2-CD2 4.3Å; Y141-L153 HydrophobicContact CG-CD1 4.32Å; Y141-L153 HydrophobicContact CG-CD2 3.6Å; V143-L153 HydrophobicContact CG1-CD2 4.02Å; L153-I197 HydrophobicContact CD2-CD1 4.18Å; L153-I197 HydrophobicContact CD2-CG1 4.42Å; L153-T199 HydrophobicContact CD2-CG2 4.24Å; L153-T199 HydrophobicContact CG-CG2 4.35Å; L153-A210 HydrophobicContact CB-CB 4.29Å; L153-A210 HydrophobicContact CD1-CB 4.09Å; L153-A210 HydrophobicContact CG-CB 4.28Å; L153-A210 PolarHBondContact N-O 3.04Å
154S94.6Very high96.1Very high37 Ų3755.5 Ų55.526%0.25930%0.3SS..  trans-124.3175.6-179.548.10000110.1P144 G156 S157P144-S154 WeakPolarHBondContact CD-OG 3.04Å; S154-G156 PolarHBondContact O-N 2.85Å; S154-S157 PolarHBondContact N-OG 2.83Å; S154-S157 VanDerWaalsContact N-OG 3.15Å; S154-S157 VanDerWaalsContact O-CB 3.31Å; S154-S157 WeakPolarHBondContact O-CB 3Å; S154-S157 PolarHBondContact O-N 2.81Å; S154-S157 PolarHBondContact O-OG 2.82Å; S154-S157 VanDerWaalsContact O-OG 3.05Å
155E94.8Very high95.8Very high194 Ų19457.2 Ų57.291%0.90731%0.31SS*.THydrogen-bonded Turntrans-56129.8174.9-168-178.5172.500110.7P144P144-E155 WeakPolarHBondContact CG-O 3.47Å
156G93.2Very high95.3Very high46 Ų4652 Ų5247%0.47429%0.287SS..THydrogen-bonded Turntrans87.24.2-175.200000115R142 S154R142-G156 PolarHBondContact NH2-O 2.91Å; S154-G156 PolarHBondContact O-N 2.85Å
157S96.5Very high94.7Very high31 Ų3154.6 Ų54.622%0.21730%0.297CS..  trans-59.8135.1162.4-71.50000110.7R142 V143 S154R142-S157 CarbonylContact O-C 3.59Å; R142-S157 WeakPolarHBondContact O-CA 3.36Å; V143-S157 WeakPolarHBondContact CG1-OG 3.44Å; S154-S157 PolarHBondContact N-OG 2.83Å; S154-S157 VanDerWaalsContact N-OG 3.15Å; S154-S157 VanDerWaalsContact O-CB 3.31Å; S154-S157 WeakPolarHBondContact O-CB 3Å; S154-S157 PolarHBondContact O-N 2.81Å; S154-S157 PolarHBondContact O-OG 2.82Å; S154-S157 VanDerWaalsContact O-OG 3.05Å
158K95.9Very high94.2Very high78 Ų7857.9 Ų57.934%0.33932%0.317SS..EExtended strand (participates in β ladder)trans-125.9132.8176.6-68.7-170.9175-167.50109.6Y141 R142 G185 L186Y141-K158 CarbonylContact C-O 3.59Å; Y141-K158 WeakPolarHBondContact CA-O 3.24Å; R142-K158 PolarHBondContact N-O 3.05Å; R142-K158 PolarHBondContact O-N 2.79Å; K158-G185 PolarHBondContact NZ-O 2.86Å; K158-G185 VanDerWaalsContact NZ-O 3.09Å; K158-L186 HydrophobicContact CB-CD2 3.79Å; K158-L186 HydrophobicContact CD-CD2 4Å
159I96Very high93.8Very high81 Ų8161.7 Ų61.742%0.41534%0.341SS..EExtended strand (participates in β ladder)trans-68.1134.1176.1-164166.8000110.1Y141 V162Y141-I159 HydrophobicContact CD1-CB 4.17Å; Y141-I159 HydrophobicContact CE1-CB 3.82Å; Y141-I159 HydrophobicContact CE1-CD1 4.48Å; Y141-I159 HydrophobicContact CE1-CG1 4.09Å; I159-V162 HydrophobicContact CD1-CG2 3.68Å
160V95.7Very high93.5Very high28 Ų2857.8 Ų57.817%0.1733%0.326CS..EExtended strand (participates in β ladder)trans-96-45.7178.6173.70000109.3I119 I140 R142 L174 L186 F196I119-V160 HydrophobicContact CD1-CG1 4.27Å; I140-V160 HydrophobicContact CB-CB 4.2Å; I140-V160 HydrophobicContact CG2-CB 4.14Å; I140-V160 HydrophobicContact CG2-CG1 4.4Å; I140-V160 HydrophobicContact CG2-CG2 4.37Å; I140-V160 VanDerWaalsContact O-CB 3.28Å; I140-V160 WeakPolarHBondContact O-CB 3.28Å; I140-V160 PolarHBondContact O-N 2.95Å; R142-V160 HydrophobicContact CB-CG2 4.07Å; V160-L174 HydrophobicContact CG1-CD1 4.06Å; V160-L174 HydrophobicContact CG1-CD2 3.96Å; V160-L174 HydrophobicContact CG1-CG 4.26Å; V160-L186 HydrophobicContact CG2-CD1 3.95Å; V160-F196 HydrophobicContact CG2-CD1 3.76Å; V160-F196 HydrophobicContact CG2-CE1 3.76Å
161G94.7Very high93.3Very high12 Ų1256.3 Ų56.312%0.12433%0.326CS..EExtended strand (participates in β ladder)trans-179.6173.6177.100000112I140I140-G161 PolarHBondContact N-O 3.18Å
162V95.5Very high93.2Very high56 Ų5657.1 Ų57.134%0.33933%0.33SS..EExtended strand (participates in β ladder)trans-127.6129.9-174-173.80000108.6E139 I159 A164 M207E139-V162 HydrophobicContact CG-CG1 4.2Å; E139-V162 HydrophobicContact CG-CG2 4.26Å; I159-V162 HydrophobicContact CD1-CG2 3.68Å; V162-A164 HydrophobicContact CG1-CB 4.13Å; V162-M207 HydrophobicContact CG1-CE 4.12Å; V162-M207 HydrophobicContact CG1-SD 4.03Å
163C94.4Very high92.9Very high2 Ų258.2 Ų58.21%0.01434%0.34CS..EExtended strand (participates in β ladder)trans-102.787.4173.4-58.10000108C121 Y137 L138C121-C163 VanDerWaalsContact CA-SG 3.53Å; C121-C163 HydrophobicContact CB-CB 3.61Å; C121-C163 WeakPolarHBondContact CB-SG 3.49Å; C121-C163 WeakPolarHBondContact SG-CA 3.3Å; C121-C163 WeakPolarHBondContact SG-CB 3.42Å; C121-C163 CovalentContact SG-SG 2.03Å; C121-C163 PolarHBondContact SG-SG 2.91Å; Y137-C163 WeakPolarHBondContact CA-O 3.37Å; L138-C163 HydrophobicContact CD1-CB 3.82Å; L138-C163 WeakPolarHBondContact CD1-SG 3.31Å; L138-C163 HydrophobicContact CG-CB 3.88Å; L138-C163 PolarHBondContact N-O 2.8Å; L138-C163 PolarHBondContact O-N 2.03Å
164A92.3Very high92.7Very high38 Ų3856.9 Ų56.931%0.31433%0.333SS..  trans-104.9-11-177.600000113.5Y137 V162 P166Y137-A164 WeakPolarHBondContact CE1-O 3.12Å; V162-A164 HydrophobicContact CG1-CB 4.13Å; A164-P166 WeakPolarHBondContact O-CD 3.48Å
165T90.2Very high92.6Very high73 Ų7357.9 Ų57.945%0.44834%0.338SS..  trans-125.876.6-17248.50000110.6E167 T168 T170T165-E167 PolarHBondContact O-N 3.39Å; T165-T168 VanDerWaalsContact CB-OG1 3.3Å; T165-T168 WeakPolarHBondContact CB-OG1 3.1Å; T165-T168 PolarHBondContact O-N 3.46Å; T165-T168 VanDerWaalsContact O-N 3.09Å; T165-T168 VanDerWaalsContact O-O 3.12Å; T165-T168 PolarHBondContact O-OG1 3.07Å; T165-T168 PolarHBondContact OG1-OG1 2.81Å; T165-T170 PolarHBondContact OG1-OG1 2.84Å
166P88.1Confident92.5Very high4 Ų448.7 Ų48.73%0.02629%0.294CS..THydrogen-bonded Turntrans-62.6-14.6-178.224.7-34.7000113.9Y123 Y124 A136 Y137 A164 T168Y123-P166 CarbonylContact C-O 3.56Å; Y123-P166 WeakPolarHBondContact CA-O 3.3Å; Y124-P166 HydrophobicContact CD2-CB 3.83Å; Y124-P166 HydrophobicContact CE2-CB 4.36Å; Y124-P166 PolarHBondContact N-O 3.02Å; A136-P166 HydrophobicContact CB-CB 3.85Å; A136-P166 HydrophobicContact CB-CG 4.12Å; Y137-P166 HydrophobicContact CE1-CG 4.13Å; A164-P166 WeakPolarHBondContact O-CD 3.48Å; P166-T168 VanDerWaalsContact C-N 3.26Å; P166-T168 PolarHBondContact O-N 3.4Å
167E85.2Confident92.5Very high129 Ų12951.3 Ų51.360%0.60329%0.29SS*.THydrogen-bonded Turntrans-851.4178.8-62.4170.7-170.700112.8Y123 T165Y123-E167 VanDerWaalsContact CE2-O 3.31Å; Y123-E167 WeakPolarHBondContact CE2-O 2.91Å; T165-E167 PolarHBondContact O-N 3.39Å
168T87.1Confident92.3Very high68 Ų6853 Ų5342%0.41729%0.294SS..SBendtrans-137.9131.9-178.1570000110.7Y123 T165 P166 T170Y123-T168 VanDerWaalsContact CD2-C 3.5Å; T165-T168 VanDerWaalsContact CB-OG1 3.3Å; T165-T168 WeakPolarHBondContact CB-OG1 3.1Å; T165-T168 PolarHBondContact O-N 3.46Å; T165-T168 VanDerWaalsContact O-N 3.09Å; T165-T168 VanDerWaalsContact O-O 3.12Å; T165-T168 PolarHBondContact O-OG1 3.07Å; T165-T168 PolarHBondContact OG1-OG1 2.81Å; P166-T168 VanDerWaalsContact C-N 3.26Å; P166-T168 PolarHBondContact O-N 3.4Å; T168-T170 PolarHBondContact O-N 3.07Å; T168-T170 PolarHBondContact O-OG1 3.01Å; T168-T170 VanDerWaalsContact O-OG1 3.07Å; T168-T170 PolarHBondContact OG1-OG1 3.09Å
169V87.7Confident92.1Very high90 Ų9056.3 Ų56.355%0.54531%0.309SS..  trans-63.7109.9172.9-179.10000108.6Y123 P171Y123-V169 HydrophobicContact CD1-CG2 3.77Å; Y123-V169 HydrophobicContact CD2-CG2 3.77Å; Y123-V169 HydrophobicContact CE1-CG2 4.15Å; Y123-V169 HydrophobicContact CE2-CG2 4.13Å; Y123-V169 HydrophobicContact CG-CG2 3.56Å; V169-P171 WeakPolarHBondContact O-CD 3.44Å
170T91Very high91.8Very high34 Ų3453.5 Ų53.521%0.20930%0.296CS..  trans-114.2102.9-175.5-55.30000109.9C121 T165 T168C121-T170 WeakPolarHBondContact CB-O 3.27Å; C121-T170 PolarHBondContact N-O 3.02Å; T165-T170 PolarHBondContact OG1-OG1 2.84Å; T168-T170 PolarHBondContact O-N 3.07Å; T168-T170 PolarHBondContact O-OG1 3.01Å; T168-T170 VanDerWaalsContact O-OG1 3.07Å; T168-T170 PolarHBondContact OG1-OG1 3.09Å
171P93.4Very high91.6Very high70 Ų7057.1 Ų57.146%0.45533%0.329SS..EExtended strand (participates in β ladder)trans-82.3130.6175.131.2-32.7000111.7N118 L120 V169N118-P171 HydrophobicContact CB-CB 4.45Å; L120-P171 HydrophobicContact CD2-CB 3.7Å; V169-P171 WeakPolarHBondContact O-CD 3.44Å
172L94Very high91.2Very high24 Ų2460.5 Ų60.513%0.12634%0.344CS..EExtended strand (participates in β ladder)trans-99.897.4169.5-55.5175.7000108.7I119 I140I119-L172 HydrophobicContact CB-CB 4.25Å; I119-L172 PolarHBondContact N-O 3.06Å; I119-L172 WeakPolarHBondContact O-CB 3.28Å; I119-L172 PolarHBondContact O-N 3.49Å; I140-L172 HydrophobicContact CD1-CD1 3.7Å
173T93.6Very high90.7Very high83 Ų8363.3 Ų63.351%0.50936%0.364SS..EExtended strand (participates in β ladder)trans-82.1120.3-177.3-54.50000111.8L117 N118L117-T173 CarbonylContact O-C 3.53Å; L117-T173 WeakPolarHBondContact O-CA 3.49Å; N118-T173 WeakPolarHBondContact OD1-CB 3.19Å; N118-T173 WeakPolarHBondContact OD1-CG2 3.31Å; N118-T173 PolarHBondContact OD1-OG1 2.74Å
174L92.7Very high90.2Very high17 Ų1767.2 Ų67.29%0.08939%0.391CS..EExtended strand (participates in β ladder)trans-103.1133.7171.3-69.3-178.2000110.6R116 L117 I119 V160 L186 F196 M224R116-L174 WeakPolarHBondContact CA-O 3.24Å; L117-L174 HydrophobicContact CB-CB 4.47Å; L117-L174 PolarHBondContact N-O 2.81Å; L117-L174 PolarHBondContact O-N 2.71Å; I119-L174 HydrophobicContact CD1-CD1 3.7Å; I119-L174 HydrophobicContact CD1-CG 4.49Å; I119-L174 HydrophobicContact CG1-CD1 4.46Å; V160-L174 HydrophobicContact CG1-CD1 4.06Å; V160-L174 HydrophobicContact CG1-CD2 3.96Å; V160-L174 HydrophobicContact CG1-CG 4.26Å; L174-L186 HydrophobicContact CD2-CD1 3.73Å; L174-F196 HydrophobicContact CD1-CE1 3.84Å; L174-F196 HydrophobicContact CD1-CZ 4.17Å; L174-M224 HydrophobicContact CD1-CE 4.43Å
175V92.4Very high89.9Confident58 Ų5865.7 Ų65.735%0.35238%0.379SS..EExtended strand (participates in β ladder)trans-113.2119.9171.1-173.60000107.9R116 R177R116-V175 HydrophobicContact CG-CG1 4.41Å; R116-V175 HydrophobicContact CG-CG2 4.18Å; V175-R177 PolarHBondContact O-N 3.41Å
176V93.3Very high90.1Very high0 Ų063 Ų630%036%0.362CS..  trans-75.599.5-179.2-173.50000108.2V111 Q112 I113 G114 D115 F188 M224 V226V111-V176 HydrophobicContact CB-CG2 4.16Å; V111-V176 HydrophobicContact CG2-CG1 4.05Å; V111-V176 HydrophobicContact CG2-CG2 4.01Å; Q112-V176 WeakPolarHBondContact O-CB 3.38Å; I113-V176 HydrophobicContact CD1-CG1 4.02Å; G114-V176 PolarHBondContact N-O 2.75Å; D115-V176 HydrophobicContact CB-CG2 4.32Å; D115-V176 PolarHBondContact O-N 3.11Å; V176-F188 HydrophobicContact CG1-CB 3.82Å; V176-F188 HydrophobicContact CG1-CD2 4.18Å; V176-F188 HydrophobicContact CG1-CG 3.99Å; V176-M224 HydrophobicContact CG2-SD 4.22Å; V176-V226 HydrophobicContact CG1-CG1 4.29Å; V176-V226 HydrophobicContact CG1-CG2 4.41Å
177R92.6Very high90.4Very high101 Ų10167 Ų6738%0.38138%0.38SS..  trans-135149.6-176.864.3-176175.6164.2-9.1112.1V175 F179 T180 F188V175-R177 PolarHBondContact O-N 3.41Å; R177-F179 VanDerWaalsContact CD-O 3.27Å; R177-F179 WeakPolarHBondContact CD-O 3.14Å; R177-F179 WeakPolarHBondContact CG-O 3.47Å; R177-T180 VanDerWaalsContact CZ-CB 3.44Å; R177-T180 VanDerWaalsContact NH2-CB 3.35Å; R177-T180 PolarHBondContact NH2-OG1 3.09Å; R177-F188 PolarHBondContact O-N 3.36Å
178E92.5Very high90.8Very high66 Ų6660.9 Ų60.931%0.30835%0.352SS..SBendtrans-74.8-25.3-179.3-71.7-156-128.100115.2I113 F188 K189I113-E178 HydrophobicContact CD1-CG 3.89Å; I113-E178 HydrophobicContact CG1-CG 4.21Å; I113-E178 HydrophobicContact CG2-CG 4.23Å; E178-F188 VanDerWaalsContact CA-O 3.23Å; E178-F188 WeakPolarHBondContact CA-O 3.17Å; E178-F188 WeakPolarHBondContact CG-O 3.5Å; E178-K189 PolarHBondContact O-NZ 2.82Å; E178-K189 IonicContact OE2-NZ 3.02Å; E178-K189 PolarHBondContact OE2-NZ 3.25Å
179F91.5Very high91.2Very high148 Ų14860.3 Ų60.365%0.64934%0.343SS*.  trans-141.1138.1-175.9-59.3-73000109.7R177R177-F179 VanDerWaalsContact CD-O 3.27Å; R177-F179 WeakPolarHBondContact CD-O 3.14Å; R177-F179 WeakPolarHBondContact CG-O 3.47Å
180T89.9Confident91.5Very high22 Ų2258 Ų5814%0.13533%0.33CS..  trans-123.8134.5175.1167.90000111R177 N182 E187R177-T180 VanDerWaalsContact CZ-CB 3.44Å; R177-T180 VanDerWaalsContact NH2-CB 3.35Å; R177-T180 PolarHBondContact NH2-OG1 3.09Å; T180-N182 VanDerWaalsContact CG2-O 3.3Å; T180-N182 WeakPolarHBondContact CG2-O 3.31Å; T180-N182 WeakPolarHBondContact OG1-CA 3.41Å; T180-N182 WeakPolarHBondContact OG1-CB 3.47Å; T180-N182 PolarHBondContact OG1-N 3.2Å; T180-N182 PolarHBondContact OG1-O 2.84Å; T180-E187 HydrophobicContact CG2-CG 3.31Å; T180-E187 PolarHBondContact N-OE1 2.61Å
181A90.7Very high91.7Very high105 Ų10558.3 Ų58.387%0.86834%0.341SS*.SBendtrans-73.8-17.2169.200000112.7
182N88Confident91.9Very high82 Ų8262.3 Ų62.344%0.43935%0.347SS..SBendtrans-82.5119.5172.7176.96.3000108.9T180 S184 G185T180-N182 VanDerWaalsContact CG2-O 3.3Å; T180-N182 WeakPolarHBondContact CG2-O 3.31Å; T180-N182 WeakPolarHBondContact OG1-CA 3.41Å; T180-N182 WeakPolarHBondContact OG1-CB 3.47Å; T180-N182 PolarHBondContact OG1-N 3.2Å; T180-N182 PolarHBondContact OG1-O 2.84Å; N182-S184 VanDerWaalsContact C-N 3.26Å; N182-S184 PolarHBondContact O-N 2.94Å; N182-S184 PolarHBondContact OD1-N 2.76Å; N182-G185 WeakPolarHBondContact O-CA 3.42Å; N182-G185 PolarHBondContact O-N 3.47Å
183P83.7Confident92Very high116 Ų11667.9 Ų67.975%0.75337%0.366SS*.THydrogen-bonded Turntrans-62.4-32178.524.6-33.8000113G185P183-G185 PolarHBondContact O-N 2.97Å
184S83.7Confident92.2Very high83 Ų8365 Ų6558%0.5835%0.346SS*.THydrogen-bonded Turntrans-81.4-4.6172.7-55.40000112.6N182N182-S184 VanDerWaalsContact C-N 3.26Å; N182-S184 PolarHBondContact O-N 2.94Å; N182-S184 PolarHBondContact OD1-N 2.76Å
185G87.3Confident92.4Very high7 Ų766 Ų667%0.07235%0.349CS..SBendtrans-67.7158.9179.900000112.6K158 N182 P183K158-G185 PolarHBondContact NZ-O 2.86Å; K158-G185 VanDerWaalsContact NZ-O 3.09Å; N182-G185 WeakPolarHBondContact O-CA 3.42Å; N182-G185 PolarHBondContact O-N 3.47Å; P183-G185 PolarHBondContact O-N 2.97Å
186L93.6Very high92.7Very high17 Ų1763.2 Ų63.29%0.08933%0.332CS..  trans-88.1139.9175.2-55.9177000110.1R142 K158 V160 L174 F188 F196R142-L186 HydrophobicContact CB-CD1 4.46Å; R142-L186 HydrophobicContact CB-CD2 3.88Å; R142-L186 HydrophobicContact CG-CD2 4.34Å; K158-L186 HydrophobicContact CB-CD2 3.79Å; K158-L186 HydrophobicContact CD-CD2 4Å; V160-L186 HydrophobicContact CG2-CD1 3.95Å; L174-L186 HydrophobicContact CD2-CD1 3.73Å; L186-F188 HydrophobicContact CB-CE2 3.66Å; L186-F188 HydrophobicContact CB-CZ 3.71Å; L186-F188 HydrophobicContact CD1-CZ 4.08Å; L186-F196 HydrophobicContact CD1-CE1 4.23Å
187E94Very high92.9Very high86 Ų8663.2 Ų63.240%0.40233%0.332SS..  trans-123.6133.4177.7-63.1-172.8150.300109.6T180 Y194T180-E187 HydrophobicContact CG2-CG 3.31Å; T180-E187 PolarHBondContact N-OE1 2.61Å; E187-Y194 VanDerWaalsContact O-CE1 3.29Å; E187-Y194 WeakPolarHBondContact O-CE1 3.36Å; E187-Y194 PolarHBondContact O-OH 3.2Å
188F94.9Very high93.1Very high2 Ų258.4 Ų58.41%0.00931%0.314CS..  trans-122.3133.6-174.1-59.4-81.2000110.3I113 V176 R177 E178 L186 Y194 F196 M224 V226I113-F188 HydrophobicContact CD1-CB 4.41Å; V176-F188 HydrophobicContact CG1-CB 3.82Å; V176-F188 HydrophobicContact CG1-CD2 4.18Å; V176-F188 HydrophobicContact CG1-CG 3.99Å; R177-F188 PolarHBondContact O-N 3.36Å; E178-F188 VanDerWaalsContact CA-O 3.23Å; E178-F188 WeakPolarHBondContact CA-O 3.17Å; E178-F188 WeakPolarHBondContact CG-O 3.5Å; L186-F188 HydrophobicContact CB-CE2 3.66Å; L186-F188 HydrophobicContact CB-CZ 3.71Å; L186-F188 HydrophobicContact CD1-CZ 4.08Å; F188-Y194 WeakPolarHBondContact CA-OH 3.46Å; F188-Y194 HydrophobicContact CB-CE2 4.23Å; F188-Y194 AromaticContact CD1-CD1 3.88Å; F188-Y194 HydrophobicContact CD1-CD1 3.88Å; F188-Y194 AromaticContact CD1-CD2 3.63Å; F188-Y194 HydrophobicContact CD1-CD2 3.63Å; F188-Y194 HydrophobicContact CD1-CE1 4.04Å; F188-Y194 AromaticContact CD1-CE2 3.81Å; F188-Y194 HydrophobicContact CD1-CE2 3.81Å; F188-Y194 AromaticContact CD1-CG 3.68Å; F188-Y194 HydrophobicContact CD1-CG 3.68Å; F188-Y194 HydrophobicContact CE1-CD1 4.06Å; F188-Y194 HydrophobicContact CE1-CD2 4.29Å; F188-Y194 AromaticContact CE1-CG 3.9Å; F188-Y194 HydrophobicContact CE1-CG 3.9Å; F188-F196 HydrophobicContact CE1-CZ 4.14Å; F188-F196 HydrophobicContact CZ-CZ 4.26Å; F188-M224 HydrophobicContact CD1-SD 4.04Å; F188-M224 HydrophobicContact CE1-SD 3.66Å; F188-M224 HydrophobicContact CZ-SD 4.2Å; F188-V226 HydrophobicContact CB-CG2 4.22Å; F188-V226 HydrophobicContact CD1-CG2 4.29Å
189K95.2Very high93.4Very high55 Ų5555.3 Ų55.324%0.23930%0.299CS..  trans-112.5139.1176.3-64.3-67.3169.1-170.50109.8E178 R192 Y194E178-K189 PolarHBondContact O-NZ 2.82Å; E178-K189 IonicContact OE2-NZ 3.02Å; E178-K189 PolarHBondContact OE2-NZ 3.25Å; K189-R192 HydrophobicContact CB-CG 4.17Å; K189-R192 WeakPolarHBondContact O-CB 3.38Å; K189-R192 PolarHBondContact O-N 3.23Å; K189-Y194 PolarHBondContact N-OH 3.4Å
190P94.6Very high93.6Very high41 Ų4148.2 Ų48.227%0.26627%0.268SS..THydrogen-bonded Turntrans-53.4142.8173-23.332.2000111.9I113 R192 N228I113-P190 HydrophobicContact CD1-CG 4.26Å; I113-P190 HydrophobicContact CG1-CG 3.82Å; P190-R192 VanDerWaalsContact C-N 3.29Å; P190-R192 PolarHBondContact O-N 2.86Å; P190-N228 WeakPolarHBondContact CB-OD1 3.42Å
191G94.8Very high93.8Very high42 Ų4250.6 Ų50.643%0.43328%0.28SS..THydrogen-bonded Turntrans73.417.7178.500000114.3V226 N228G191-V226 VanDerWaalsContact CA-O 3.27Å; G191-V226 WeakPolarHBondContact CA-O 3.31Å; G191-V226 PolarHBondContact N-O 2.5Å; G191-N228 VanDerWaalsContact CA-OD1 3.24Å; G191-N228 WeakPolarHBondContact CA-OD1 3.24Å; G191-N228 PolarHBondContact N-OD1 2.9Å
192R96.1Very high93.8Very high154 Ų15445.6 Ų45.658%0.58124%0.239SC*.EExtended strand (participates in β ladder)trans-121.6145.9179.6-61.1-162.3-177.6-176.2-6.3111.9K189 P190 Y194 V226K189-R192 HydrophobicContact CB-CG 4.17Å; K189-R192 WeakPolarHBondContact O-CB 3.38Å; K189-R192 PolarHBondContact O-N 3.23Å; P190-R192 VanDerWaalsContact C-N 3.29Å; P190-R192 PolarHBondContact O-N 2.86Å; R192-Y194 HydrophobicContact CB-CD2 4.48Å; R192-Y194 HydrophobicContact CB-CE2 3.69Å; R192-V226 WeakPolarHBondContact O-CB 3.41Å; R192-V226 PolarHBondContact O-N 2.95Å
193R97Very high94Very high140 Ų14043.6 Ų43.653%0.52823%0.232SC..EExtended strand (participates in β ladder)trans-94.8138.1172.7-68.1-178.2176.2-175-3.5111.3Y195 V223 M224 D225R193-Y195 HydrophobicContact CB-CE2 4.44Å; R193-V223 HydrophobicContact CB-CG1 4.12Å; R193-V223 HydrophobicContact CG-CG1 4.25Å; R193-M224 CarbonylContact C-O 3.53Å; R193-M224 WeakPolarHBondContact CA-O 3.28Å; R193-D225 HydrophobicContact CG-CB 4.23Å; R193-D225 IonicContact CZ-OD2 3.29Å; R193-D225 VanDerWaalsContact CZ-OD2 3.29Å; R193-D225 IonicContact NE-OD1 3.9Å; R193-D225 IonicContact NE-OD2 2.82Å; R193-D225 PolarHBondContact NE-OD2 3.48Å; R193-D225 IonicContact NH2-OD2 2.9Å; R193-D225 PolarHBondContact NH2-OD2 3.36Å
194Y97.7Very high94.3Very high22 Ų2245 Ų459%0.08622%0.222CC..EExtended strand (participates in β ladder)trans-122.9143.9177.9-66.8-95.7000109.5E187 F188 K189 R192 V223 M224 V226E187-Y194 VanDerWaalsContact O-CE1 3.29Å; E187-Y194 WeakPolarHBondContact O-CE1 3.36Å; E187-Y194 PolarHBondContact O-OH 3.2Å; F188-Y194 WeakPolarHBondContact CA-OH 3.46Å; F188-Y194 HydrophobicContact CB-CE2 4.23Å; F188-Y194 AromaticContact CD1-CD1 3.88Å; F188-Y194 HydrophobicContact CD1-CD1 3.88Å; F188-Y194 AromaticContact CD1-CD2 3.63Å; F188-Y194 HydrophobicContact CD1-CD2 3.63Å; F188-Y194 HydrophobicContact CD1-CE1 4.04Å; F188-Y194 AromaticContact CD1-CE2 3.81Å; F188-Y194 HydrophobicContact CD1-CE2 3.81Å; F188-Y194 AromaticContact CD1-CG 3.68Å; F188-Y194 HydrophobicContact CD1-CG 3.68Å; F188-Y194 HydrophobicContact CE1-CD1 4.06Å; F188-Y194 HydrophobicContact CE1-CD2 4.29Å; F188-Y194 AromaticContact CE1-CG 3.9Å; F188-Y194 HydrophobicContact CE1-CG 3.9Å; K189-Y194 PolarHBondContact N-OH 3.4Å; R192-Y194 HydrophobicContact CB-CD2 4.48Å; R192-Y194 HydrophobicContact CB-CE2 3.69Å; Y194-V223 CarbonylContact O-C 3.45Å; Y194-V223 WeakPolarHBondContact O-CA 3.26Å; Y194-M224 PolarHBondContact N-O 2.63Å; Y194-M224 PolarHBondContact O-N 3.07Å; Y194-V226 HydrophobicContact CD2-CG2 3.71Å; Y194-V226 HydrophobicContact CE2-CG2 3.8Å
195Y98.1Very high94.7Very high39 Ų3948.6 Ų48.615%0.15323%0.229CC..EExtended strand (participates in β ladder)trans-121.1132.8-167.6-56.2-82.2000110.1R142 V143 K145 Y148 R193 V223R142-Y195 CarbonylContact C-O 3.55Å; R142-Y195 VanDerWaalsContact CA-O 3.31Å; R142-Y195 WeakPolarHBondContact CA-O 3.33Å; V143-Y195 PolarHBondContact N-O 2.78Å; K145-Y195 HydrophobicContact CB-CD2 4.08Å; K145-Y195 HydrophobicContact CB-CE2 3.61Å; K145-Y195 HydrophobicContact CG-CE1 4.39Å; K145-Y195 HydrophobicContact CG-CE2 3.98Å; Y148-Y195 AromaticContact CD1-CD1 3.74Å; Y148-Y195 HydrophobicContact CD1-CD1 3.74Å; Y148-Y195 HydrophobicContact CD1-CE1 4.3Å; Y148-Y195 AromaticContact CD2-CD1 3.9Å; Y148-Y195 HydrophobicContact CD2-CD1 3.9Å; Y148-Y195 HydrophobicContact CD2-CG 4.16Å; Y148-Y195 HydrophobicContact CE1-CD1 4.13Å; Y148-Y195 HydrophobicContact CE2-CD1 4.21Å; Y148-Y195 AromaticContact CG-CD1 3.61Å; Y148-Y195 HydrophobicContact CG-CD1 3.61Å; Y148-Y195 AromaticContact CG-CG 3.98Å; Y148-Y195 HydrophobicContact CG-CG 3.98Å; R193-Y195 HydrophobicContact CB-CE2 4.44Å; Y195-V223 HydrophobicContact CD1-CG1 4.4Å; Y195-V223 HydrophobicContact CD1-CG2 4.02Å; Y195-V223 HydrophobicContact CE1-CG1 4.19Å; Y195-V223 HydrophobicContact CE1-CG2 4.15Å
196F98Very high95Very high0 Ų048.4 Ų48.40%023%0.227CC..EExtended strand (participates in β ladder)trans-125.5136.8-177.2-62.4-102.3000109.9W92 Y141 R142 V160 L174 L186 F188 K221 M222 M224W92-F196 HydrophobicContact CH2-CB 3.89Å; W92-F196 HydrophobicContact CZ3-CB 4.43Å; Y141-F196 CarbonylContact O-C 3.59Å; Y141-F196 WeakPolarHBondContact O-CA 3.43Å; R142-F196 HydrophobicContact CB-CD1 4.24Å; R142-F196 HydrophobicContact CB-CE1 4.05Å; R142-F196 HydrophobicContact CG-CE1 4.4Å; R142-F196 HydrophobicContact CG-CZ 4.41Å; V160-F196 HydrophobicContact CG2-CD1 3.76Å; V160-F196 HydrophobicContact CG2-CE1 3.76Å; L174-F196 HydrophobicContact CD1-CE1 3.84Å; L174-F196 HydrophobicContact CD1-CZ 4.17Å; L186-F196 HydrophobicContact CD1-CE1 4.23Å; F188-F196 HydrophobicContact CE1-CZ 4.14Å; F188-F196 HydrophobicContact CZ-CZ 4.26Å; F196-K221 CarbonylContact O-C 3.55Å; F196-K221 WeakPolarHBondContact O-CA 3.49Å; F196-K221 WeakPolarHBondContact O-CB 3.34Å; F196-M222 HydrophobicContact CB-CE 3.82Å; F196-M222 HydrophobicContact CB-CG 3.68Å; F196-M222 HydrophobicContact CD1-CE 3.9Å; F196-M222 HydrophobicContact CD2-CE 3.68Å; F196-M222 HydrophobicContact CD2-CG 4.12Å; F196-M222 HydrophobicContact CE1-CE 4.38Å; F196-M222 HydrophobicContact CE2-CE 4.19Å; F196-M222 HydrophobicContact CG-CE 3.53Å; F196-M222 HydrophobicContact CG-CG 4.18Å; F196-M222 PolarHBondContact N-O 2.93Å; F196-M222 PolarHBondContact O-N 2.82Å; F196-M224 HydrophobicContact CD2-CB 4.41Å; F196-M224 HydrophobicContact CE2-CB 3.77Å; F196-M224 HydrophobicContact CE2-CE 3.91Å; F196-M224 HydrophobicContact CE2-SD 4.24Å; F196-M224 HydrophobicContact CZ-CE 3.9Å; F196-M224 HydrophobicContact CZ-SD 4.37Å
197I97.7Very high95Very high0 Ų049.2 Ų49.20%023%0.231CC..EExtended strand (participates in β ladder)trans-142.6162-179.870.5176.3000111.4Y141 V143 Y148 L153 T199 C215 K221Y141-I197 PolarHBondContact N-O 2.8Å; Y141-I197 PolarHBondContact O-N 2.76Å; V143-I197 HydrophobicContact CB-CD1 4.44Å; V143-I197 HydrophobicContact CG1-CD1 3.74Å; V143-I197 HydrophobicContact CG1-CG1 3.69Å; V143-I197 HydrophobicContact CG2-CD1 4.07Å; V143-I197 HydrophobicContact CG2-CG1 4.09Å; V143-I197 HydrophobicContact CG2-CG2 3.92Å; Y148-I197 HydrophobicContact CD2-CG2 3.59Å; Y148-I197 HydrophobicContact CE2-CG2 4.24Å; Y148-I197 HydrophobicContact CG-CG2 4.46Å; L153-I197 HydrophobicContact CD2-CD1 4.18Å; L153-I197 HydrophobicContact CD2-CG1 4.42Å; I197-T199 HydrophobicContact CD1-CG2 3.7Å; I197-T199 HydrophobicContact CG1-CG2 4.32Å; I197-C215 HydrophobicContact CB-CB 4.29Å; I197-K221 HydrophobicContact CB-CB 4.4Å; I197-K221 HydrophobicContact CG2-CB 3.79Å
198T97Very high95.1Very high0 Ų048.9 Ų48.90%024%0.238CC..  trans-122.5119162.9-75.20000110W92 L138 E139 L214 C215 M220W92-T198 PolarHBondContact NE1-OG1 3.04Å; L138-T198 HydrophobicContact CB-CG2 3.67Å; L138-T198 HydrophobicContact CD2-CG2 4.45Å; L138-T198 HydrophobicContact CG-CG2 4.45Å; E139-T198 WeakPolarHBondContact O-CA 3.36Å; E139-T198 WeakPolarHBondContact O-CB 3.32Å; E139-T198 WeakPolarHBondContact O-CG2 3.43Å; E139-T198 PolarHBondContact O-OG1 2.84Å; T198-L214 HydrophobicContact CG2-CB 4.16Å; T198-L214 HydrophobicContact CG2-CD1 4.01Å; T198-C215 WeakPolarHBondContact O-CA 3.29Å; T198-C215 WeakPolarHBondContact O-CB 3.37Å; T198-C215 PolarHBondContact O-N 3.39Å; T198-M220 PolarHBondContact N-O 3.12Å
199T97.5Very high95.2Very high0 Ų051.8 Ų51.80%025%0.254CS..  trans-97.30.8176.646.10000113.1L153 I197 N209 G213L153-T199 HydrophobicContact CD2-CG2 4.24Å; L153-T199 HydrophobicContact CG-CG2 4.35Å; I197-T199 HydrophobicContact CD1-CG2 3.7Å; I197-T199 HydrophobicContact CG1-CG2 4.32Å; T199-N209 CarbonylContact C-O 3.53Å; T199-N209 WeakPolarHBondContact CB-O 3.33Å; T199-N209 VanDerWaalsContact O-CB 3.24Å; T199-N209 WeakPolarHBondContact O-CB 3.27Å; T199-N209 PolarHBondContact OG1-O 3.09Å; T199-G213 WeakPolarHBondContact O-CA 3.27Å
200S97Very high95.3Very high0 Ų051.8 Ų51.80%026%0.264CS..  trans-63.4152.5170.9-43.30000111.2L138 E139 G206 M207 G213 L214L138-S200 WeakPolarHBondContact CA-OG 3.36Å; E139-S200 PolarHBondContact N-OG 2.8Å; S200-G206 VanDerWaalsContact CA-O 3.31Å; S200-G206 WeakPolarHBondContact CA-O 3.12Å; S200-M207 WeakPolarHBondContact CB-O 3Å; S200-M207 PolarHBondContact OG-O 2.79Å; S200-G213 CarbonylContact O-C 3.42Å; S200-G213 WeakPolarHBondContact O-CA 3.26Å; S200-L214 WeakPolarHBondContact O-CB 3.24Å; S200-L214 VanDerWaalsContact O-CG 3.24Å; S200-L214 WeakPolarHBondContact O-CG 3.38Å; S200-L214 PolarHBondContact O-N 3.25Å
201D93.6Very high95.5Very high71 Ų7154 Ų5438%0.3827%0.274SS..  trans-963.7173.863.215.5000113.7S203 G206 N209D201-S203 VanDerWaalsContact C-N 3.31Å; D201-S203 VanDerWaalsContact OD1-CB 3.32Å; D201-S203 WeakPolarHBondContact OD1-CB 3.17Å; D201-S203 PolarHBondContact OD1-N 2.87Å; D201-S203 PolarHBondContact OD1-OG 3.09Å; D201-G206 PolarHBondContact N-O 3.41Å; D201-G206 VanDerWaalsContact OD1-CA 3.31Å; D201-G206 WeakPolarHBondContact OD1-CA 3.06Å; D201-G206 WeakPolarHBondContact OD2-CA 3.48Å; D201-N209 PolarHBondContact OD2-ND2 3.37Å
202G91.2Very high95.5Very high1 Ų152.2 Ų52.21%0.0126%0.255CS..BIsolated β-bridgetrans88.5-12.9-179.600000115.3L134 Y137L134-G202 WeakPolarHBondContact O-CA 3.5Å; Y137-G202 PolarHBondContact N-O 3.26Å; Y137-G202 VanDerWaalsContact N-O 3.12Å; Y137-G202 CarbonylContact O-C 3.58Å; Y137-G202 VanDerWaalsContact O-CA 3.29Å; Y137-G202 WeakPolarHBondContact O-CA 3.48Å
203S91.4Very high95.5Very high40 Ų4045.8 Ų45.828%0.2824%0.237SC..SBendtrans-82.1160.8171.775.60000111.4Y137 D201 E205 G206 M207Y137-S203 WeakPolarHBondContact CB-O 3.38Å; D201-S203 VanDerWaalsContact C-N 3.31Å; D201-S203 VanDerWaalsContact OD1-CB 3.32Å; D201-S203 WeakPolarHBondContact OD1-CB 3.17Å; D201-S203 PolarHBondContact OD1-N 2.87Å; D201-S203 PolarHBondContact OD1-OG 3.09Å; S203-E205 VanDerWaalsContact C-N 3.28Å; S203-E205 PolarHBondContact O-N 2.84Å; S203-G206 PolarHBondContact OG-N 2.94Å; S203-M207 PolarHBondContact O-N 2.99Å
204R90.8Very high95.3Very high144 Ų14439.3 Ų39.354%0.54321%0.213SC..SBendtrans-66.6-35.9176.5-178.9177.7-71.9-99.51.9110.9Y137 M207Y137-R204 HydrophobicContact CD1-CB 4.46Å; Y137-R204 HydrophobicContact CD2-CB 4.11Å; Y137-R204 HydrophobicContact CE2-CB 4.3Å; Y137-R204 HydrophobicContact CG-CB 4.18Å; Y137-R204 PolarHBondContact OH-NH2 3.14Å; R204-M207 WeakPolarHBondContact O-CB 3.34Å
205E92.2Very high95.3Very high159 Ų15938.3 Ų38.374%0.74321%0.209SC*.THydrogen-bonded Turntrans-73.1-39.4-177.5-63.967.3-146.200111.7S203 M207S203-E205 VanDerWaalsContact C-N 3.28Å; S203-E205 PolarHBondContact O-N 2.84Å; E205-M207 VanDerWaalsContact C-N 3.34Å
206G93.4Very high95.1Very high3 Ų343.8 Ų43.83%0.03123%0.23CC..THydrogen-bonded Turntrans-91.712.3178.100000114.6S200 D201 S203 S208 N209S200-G206 VanDerWaalsContact CA-O 3.31Å; S200-G206 WeakPolarHBondContact CA-O 3.12Å; D201-G206 PolarHBondContact N-O 3.41Å; D201-G206 VanDerWaalsContact OD1-CA 3.31Å; D201-G206 WeakPolarHBondContact OD1-CA 3.06Å; D201-G206 WeakPolarHBondContact OD2-CA 3.48Å; S203-G206 PolarHBondContact OG-N 2.94Å; G206-S208 VanDerWaalsContact C-N 3.31Å; G206-S208 PolarHBondContact O-N 3.36Å; G206-N209 WeakPolarHBondContact CA-ND2 3.46Å; G206-N209 VanDerWaalsContact O-CB 3.31Å; G206-N209 WeakPolarHBondContact O-CB 3.41Å; G206-N209 PolarHBondContact O-N 2.87Å; G206-N209 PolarHBondContact O-ND2 3.31Å
207M93.5Very high94.9Very high34 Ų3447.8 Ų47.817%0.16726%0.258CS..THydrogen-bonded Turntrans-59.4-40.6-178.4-172.6176.273.300112.2E139 V162 S200 S203 R204 E205E139-M207 HydrophobicContact CG-CG 4Å; V162-M207 HydrophobicContact CG1-CE 4.12Å; V162-M207 HydrophobicContact CG1-SD 4.03Å; S200-M207 WeakPolarHBondContact CB-O 3Å; S200-M207 PolarHBondContact OG-O 2.79Å; S203-M207 PolarHBondContact O-N 2.99Å; R204-M207 WeakPolarHBondContact O-CB 3.34Å; E205-M207 VanDerWaalsContact C-N 3.34Å
208S95.4Very high94.6Very high79 Ų7951.4 Ų51.455%0.55228%0.277SS*.THydrogen-bonded Turntrans-96.519.8-178.6-49.50000113.6E139 G206 A210E139-S208 PolarHBondContact OE1-OG 2.62Å; G206-S208 VanDerWaalsContact C-N 3.31Å; G206-S208 PolarHBondContact O-N 3.36Å; S208-A210 PolarHBondContact O-N 2.85Å
209N96.9Very high94.4Very high64 Ų6452.8 Ų52.834%0.34229%0.291SS..  trans-58.2135.5174-78-15.8000110.6T199 D201 G206T199-N209 CarbonylContact C-O 3.53Å; T199-N209 WeakPolarHBondContact CB-O 3.33Å; T199-N209 VanDerWaalsContact O-CB 3.24Å; T199-N209 WeakPolarHBondContact O-CB 3.27Å; T199-N209 PolarHBondContact OG1-O 3.09Å; D201-N209 PolarHBondContact OD2-ND2 3.37Å; G206-N209 WeakPolarHBondContact CA-ND2 3.46Å; G206-N209 VanDerWaalsContact O-CB 3.31Å; G206-N209 WeakPolarHBondContact O-CB 3.41Å; G206-N209 PolarHBondContact O-N 2.87Å; G206-N209 PolarHBondContact O-ND2 3.31Å
210A97.4Very high94.3Very high55 Ų5552.8 Ų52.846%0.45529%0.291SS..  trans-98.9-3.5-17500000114.4M152 L153 S208M152-A210 WeakPolarHBondContact CA-O 3.33Å; L153-A210 HydrophobicContact CB-CB 4.29Å; L153-A210 HydrophobicContact CD1-CB 4.09Å; L153-A210 HydrophobicContact CG-CB 4.28Å; L153-A210 PolarHBondContact N-O 3.04Å; S208-A210 PolarHBondContact O-N 2.85Å
211N97.9Very high94.2Very high87 Ų8754 Ų5447%0.46530%0.296SS..BIsolated β-bridgetrans-146.9136.4-173.3-175.53000111.2C151 M152 G213 R216C151-N211 PolarHBondContact O-OD1 3.45Å; M152-N211 HydrophobicContact CB-CB 4.5Å; N211-G213 PolarHBondContact O-N 3.16Å; N211-R216 PolarHBondContact OD1-NH2 2.87Å
212G96.1Very high94.4Very high4 Ų450.8 Ų50.84%0.04128%0.279CS..SBendtrans73.4-111.1177.700000111.7C151 C215C151-G212 PolarHBondContact O-N 2.52Å; G212-C215 WeakPolarHBondContact O-CB 3.05Å
213G95.1Very high94.7Very high19 Ų1951.2 Ų51.220%0.19628%0.282CS..Hα-helixtrans54.5-149.8-174.500000113.3T199 S200 N211 C215 R216 S217T199-G213 WeakPolarHBondContact O-CA 3.27Å; S200-G213 CarbonylContact O-C 3.42Å; S200-G213 WeakPolarHBondContact O-CA 3.26Å; N211-G213 PolarHBondContact O-N 3.16Å; G213-C215 PolarHBondContact O-N 2.05Å; G213-C215 VanDerWaalsContact O-N 3.13Å; G213-R216 PolarHBondContact O-N 3.29Å; G213-S217 PolarHBondContact O-N 2.85Å; G213-S217 PolarHBondContact O-OG 3.26Å
214L94.5Very high94.9Very high4 Ų449.3 Ų49.32%0.02127%0.268CS..Hα-helixtrans-56.4-26.9-179.3-70.4166.5000113.6D135 L138 T198 S200 R216 S217 N218 G219 M220D135-L214 HydrophobicContact CB-CD1 3.95Å; D135-L214 HydrophobicContact CB-CD2 4.38Å; L138-L214 HydrophobicContact CD2-CD1 4.37Å; T198-L214 HydrophobicContact CG2-CB 4.16Å; T198-L214 HydrophobicContact CG2-CD1 4.01Å; S200-L214 WeakPolarHBondContact O-CB 3.24Å; S200-L214 VanDerWaalsContact O-CG 3.24Å; S200-L214 WeakPolarHBondContact O-CG 3.38Å; S200-L214 PolarHBondContact O-N 3.25Å; L214-R216 VanDerWaalsContact C-N 3.31Å; L214-R216 PolarHBondContact O-N 3.16Å; L214-S217 WeakPolarHBondContact CA-OG 3.32Å; L214-N218 HydrophobicContact CD2-CB 4.27Å; L214-N218 CarbonylContact O-C 3.59Å; L214-N218 WeakPolarHBondContact O-CA 3.45Å; L214-N218 PolarHBondContact O-N 2.8Å; L214-G219 PolarHBondContact O-N 3.13Å; L214-G219 VanDerWaalsContact O-N 3.14Å; L214-M220 HydrophobicContact CB-CB 4.09Å; L214-M220 HydrophobicContact CB-CG 4.21Å; L214-M220 HydrophobicContact CB-SD 3.69Å; L214-M220 HydrophobicContact CD1-SD 3.9Å; L214-M220 HydrophobicContact CD2-SD 3.97Å; L214-M220 HydrophobicContact CG-SD 4.06Å; L214-M220 PolarHBondContact O-N 3.14Å
215C96.2Very high95.2Very high2 Ų243.5 Ų43.51%0.01425%0.248CC..Hα-helixtrans-60.4-41.7171.5179.40000111.7C151 I197 T198 G212 G213 G219C151-C215 WeakPolarHBondContact CA-SG 3.48Å; C151-C215 HydrophobicContact CB-CB 3.63Å; C151-C215 WeakPolarHBondContact CB-SG 3.41Å; C151-C215 WeakPolarHBondContact SG-CB 3.4Å; C151-C215 PolarHBondContact SG-O 2.94Å; C151-C215 CovalentContact SG-SG 2.05Å; C151-C215 PolarHBondContact SG-SG 2.97Å; I197-C215 HydrophobicContact CB-CB 4.29Å; T198-C215 WeakPolarHBondContact O-CA 3.29Å; T198-C215 WeakPolarHBondContact O-CB 3.37Å; T198-C215 PolarHBondContact O-N 3.39Å; G212-C215 WeakPolarHBondContact O-CB 3.05Å; G213-C215 PolarHBondContact O-N 2.05Å; G213-C215 VanDerWaalsContact O-N 3.13Å; C215-G219 WeakPolarHBondContact O-CA 3.42Å; C215-G219 PolarHBondContact O-N 3.39Å
216R94.9Very high95.3Very high154 Ų15436 Ų3658%0.58121%0.213SC*.Hα-helixtrans-87.5-43.1-178.9-172.8177.1-64.3153.39.3112.2K150 C151 N211 G213 L214K150-R216 PolarHBondContact O-NH2 2.94Å; K150-R216 VanDerWaalsContact O-NH2 3.16Å; C151-R216 HydrophobicContact CB-CB 4.31Å; N211-R216 PolarHBondContact OD1-NH2 2.87Å; G213-R216 PolarHBondContact O-N 3.29Å; L214-R216 VanDerWaalsContact C-N 3.31Å; L214-R216 PolarHBondContact O-N 3.16Å
217S92.7Very high95.3Very high84 Ų8438.2 Ų38.259%0.58722%0.222SC*.Hα-helixtrans-76.3-37.5-175.957.90000113.1G213 L214G213-S217 PolarHBondContact O-N 2.85Å; G213-S217 PolarHBondContact O-OG 3.26Å; L214-S217 WeakPolarHBondContact CA-OG 3.32Å
218N91.4Very high95Very high76 Ų7639.7 Ų39.741%0.40623%0.231SC..SBendtrans-123.25.4-171.6-64.376.2000113A94 L214 M220A94-N218 HydrophobicContact CB-CB 3.96Å; L214-N218 HydrophobicContact CD2-CB 4.27Å; L214-N218 CarbonylContact O-C 3.59Å; L214-N218 WeakPolarHBondContact O-CA 3.45Å; L214-N218 PolarHBondContact O-N 2.8Å; N218-M220 HydrophobicContact CB-CG 4.04Å; N218-M220 HydrophobicContact CB-SD 4.48Å; N218-M220 PolarHBondContact O-N 3.46Å
219G93.4Very high93.8Very high29 Ų2939.6 Ų39.630%0.29924%0.235SC..  trans63.124.9-179.200000113.5L214 C215 K221L214-G219 PolarHBondContact O-N 3.13Å; L214-G219 VanDerWaalsContact O-N 3.14Å; C215-G219 WeakPolarHBondContact O-CA 3.42Å; C215-G219 PolarHBondContact O-N 3.39Å; G219-K221 PolarHBondContact O-N 3.32Å
220M94.5Very high92.1Very high0 Ų039.8 Ų39.80%025%0.245CC..  trans-73.679.8-179.2-69.4-174.971.300111.4W92 A94 F99 L138 T198 L214 N218W92-M220 HydrophobicContact CG-CE 4.14Å; W92-M220 VanDerWaalsContact O-CE 3.27Å; W92-M220 WeakPolarHBondContact O-CE 3.5Å; A94-M220 HydrophobicContact CB-CG 4.4Å; A94-M220 HydrophobicContact CB-SD 3.67Å; F99-M220 HydrophobicContact CD2-CG 4.36Å; F99-M220 HydrophobicContact CE2-CE 4.46Å; F99-M220 HydrophobicContact CG-CG 4.31Å; L138-M220 HydrophobicContact CD2-CE 4.14Å; T198-M220 PolarHBondContact N-O 3.12Å; L214-M220 HydrophobicContact CB-CB 4.09Å; L214-M220 HydrophobicContact CB-CG 4.21Å; L214-M220 HydrophobicContact CB-SD 3.69Å; L214-M220 HydrophobicContact CD1-SD 3.9Å; L214-M220 HydrophobicContact CD2-SD 3.97Å; L214-M220 HydrophobicContact CG-SD 4.06Å; L214-M220 PolarHBondContact O-N 3.14Å; N218-M220 HydrophobicContact CB-CG 4.04Å; N218-M220 HydrophobicContact CB-SD 4.48Å; N218-M220 PolarHBondContact O-N 3.46Å
221K96.6Very high90.1Very high25 Ų2540.7 Ų40.711%0.10924%0.243CC..EExtended strand (participates in β ladder)trans-152.9147.5-179.564.4-178.5-177.5-176.10109.5R104 P107 Y148 F196 I197 G219R104-K221 WeakPolarHBondContact O-CE 3.31Å; R104-K221 PolarHBondContact O-NZ 2.89Å; P107-K221 VanDerWaalsContact CD-O 3.28Å; P107-K221 WeakPolarHBondContact CD-O 3.31Å; Y148-K221 HydrophobicContact CD2-CB 4.16Å; Y148-K221 HydrophobicContact CD2-CD 4.36Å; Y148-K221 HydrophobicContact CE1-CD 4.12Å; Y148-K221 HydrophobicContact CE2-CB 3.53Å; Y148-K221 HydrophobicContact CE2-CD 3.84Å; Y148-K221 HydrophobicContact CE2-CG 3.79Å; F196-K221 CarbonylContact O-C 3.55Å; F196-K221 WeakPolarHBondContact O-CA 3.49Å; F196-K221 WeakPolarHBondContact O-CB 3.34Å; I197-K221 HydrophobicContact CB-CB 4.4Å; I197-K221 HydrophobicContact CG2-CB 3.79Å; G219-K221 PolarHBondContact O-N 3.32Å
222M96.5Very high87.8Confident4 Ų440.6 Ų40.62%0.0224%0.242CC..EExtended strand (participates in β ladder)trans-139.1156.317770.9169.3177.500112.6V90 W92 P107 I119 Y148 F196V90-M222 HydrophobicContact CG1-SD 4.43Å; W92-M222 HydrophobicContact CH2-CG 3.93Å; W92-M222 HydrophobicContact CZ3-CB 4.39Å; W92-M222 HydrophobicContact CZ3-CE 3.79Å; W92-M222 HydrophobicContact CZ3-CG 3.67Å; W92-M222 HydrophobicContact CZ3-SD 3.74Å; P107-M222 HydrophobicContact CG-CB 3.91Å; I119-M222 HydrophobicContact CD1-CE 3.58Å; I119-M222 HydrophobicContact CG1-CE 4.29Å; Y148-M222 WeakPolarHBondContact CE2-O 3.32Å; F196-M222 HydrophobicContact CB-CE 3.82Å; F196-M222 HydrophobicContact CB-CG 3.68Å; F196-M222 HydrophobicContact CD1-CE 3.9Å; F196-M222 HydrophobicContact CD2-CE 3.68Å; F196-M222 HydrophobicContact CD2-CG 4.12Å; F196-M222 HydrophobicContact CE1-CE 4.38Å; F196-M222 HydrophobicContact CE2-CE 4.19Å; F196-M222 HydrophobicContact CG-CE 3.53Å; F196-M222 HydrophobicContact CG-CG 4.18Å; F196-M222 PolarHBondContact N-O 2.93Å; F196-M222 PolarHBondContact O-N 2.82Å
223V97Very high85.6Confident10 Ų1047.9 Ų47.96%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-107.7132.5171.3-173.50000109.2P107 T108 L109 Y148 R193 Y194 Y195P107-V223 PolarHBondContact O-N 2.59Å; T108-V223 CarbonylContact C-O 3.57Å; T108-V223 VanDerWaalsContact CA-O 3.31Å; T108-V223 WeakPolarHBondContact CA-O 3.21Å; T108-V223 HydrophobicContact CG2-CB 4.35Å; T108-V223 HydrophobicContact CG2-CG1 4.4Å; L109-V223 PolarHBondContact N-O 2.93Å; Y148-V223 HydrophobicContact CE1-CG2 4.12Å; Y148-V223 HydrophobicContact CE2-CG2 4.35Å; Y148-V223 WeakPolarHBondContact OH-CG2 3.43Å; R193-V223 HydrophobicContact CB-CG1 4.12Å; R193-V223 HydrophobicContact CG-CG1 4.25Å; Y194-V223 CarbonylContact O-C 3.45Å; Y194-V223 WeakPolarHBondContact O-CA 3.26Å; Y195-V223 HydrophobicContact CD1-CG1 4.4Å; Y195-V223 HydrophobicContact CD1-CG2 4.02Å; Y195-V223 HydrophobicContact CE1-CG1 4.19Å; Y195-V223 HydrophobicContact CE1-CG2 4.15Å
224M96.4Very high83.2Confident0 Ų052.8 Ų52.80%031%0.305CS..EExtended strand (participates in β ladder)trans-106.5117.1168.2-179.9-175.6-70.100108.3L109 V111 L117 L174 V176 F188 R193 Y194 F196 V226L109-M224 CarbonylContact O-C 3.57Å; L109-M224 WeakPolarHBondContact O-CA 3.26Å; V111-M224 HydrophobicContact CB-CG 4.35Å; V111-M224 HydrophobicContact CG1-CG 3.85Å; V111-M224 HydrophobicContact CG1-SD 4.41Å; V111-M224 HydrophobicContact CG2-CG 3.47Å; V111-M224 VanDerWaalsContact CG2-CG 3.47Å; V111-M224 HydrophobicContact CG2-SD 3.88Å; L117-M224 HydrophobicContact CD2-CE 3.91Å; L174-M224 HydrophobicContact CD1-CE 4.43Å; V176-M224 HydrophobicContact CG2-SD 4.22Å; F188-M224 HydrophobicContact CD1-SD 4.04Å; F188-M224 HydrophobicContact CE1-SD 3.66Å; F188-M224 HydrophobicContact CZ-SD 4.2Å; R193-M224 CarbonylContact C-O 3.53Å; R193-M224 WeakPolarHBondContact CA-O 3.28Å; Y194-M224 PolarHBondContact N-O 2.63Å; Y194-M224 PolarHBondContact O-N 3.07Å; F196-M224 HydrophobicContact CD2-CB 4.41Å; F196-M224 HydrophobicContact CE2-CB 3.77Å; F196-M224 HydrophobicContact CE2-CE 3.91Å; F196-M224 HydrophobicContact CE2-SD 4.24Å; F196-M224 HydrophobicContact CZ-CE 3.9Å; F196-M224 HydrophobicContact CZ-SD 4.37Å; M224-V226 HydrophobicContact CG-CG2 4.45Å
225D96.4Very high80.6Confident22 Ų2255.6 Ų55.612%0.11833%0.326CS..EExtended strand (participates in β ladder)trans-100.5106.9177.9-157-13.2000109.7T108 L109 V111 R193 Q227T108-D225 HydrophobicContact CG2-CB 4.07Å; L109-D225 PolarHBondContact O-N 3.22Å; V111-D225 PolarHBondContact N-O 2.98Å; R193-D225 HydrophobicContact CG-CB 4.23Å; R193-D225 IonicContact CZ-OD2 3.29Å; R193-D225 VanDerWaalsContact CZ-OD2 3.29Å; R193-D225 IonicContact NE-OD1 3.9Å; R193-D225 IonicContact NE-OD2 2.82Å; R193-D225 PolarHBondContact NE-OD2 3.48Å; R193-D225 IonicContact NH2-OD2 2.9Å; R193-D225 PolarHBondContact NH2-OD2 3.36Å; D225-Q227 PolarHBondContact O-N 2.9Å
226V95.7Very high77.5Confident0 Ų062.9 Ų62.90%036%0.357CS..EExtended strand (participates in β ladder)trans-84.2108.4-177.3-173.30000108.3V111 I113 V176 F188 G191 R192 Y194 M224V111-V226 HydrophobicContact CG2-CB 4.21Å; V111-V226 HydrophobicContact CG2-CG1 4.42Å; V111-V226 HydrophobicContact CG2-CG2 3.75Å; V111-V226 CarbonylContact O-C 3.58Å; V111-V226 WeakPolarHBondContact O-CA 3.08Å; I113-V226 HydrophobicContact CD1-CG1 3.74Å; I113-V226 HydrophobicContact CG1-CG1 4.36Å; V176-V226 HydrophobicContact CG1-CG1 4.29Å; V176-V226 HydrophobicContact CG1-CG2 4.41Å; F188-V226 HydrophobicContact CB-CG2 4.22Å; F188-V226 HydrophobicContact CD1-CG2 4.29Å; G191-V226 VanDerWaalsContact CA-O 3.27Å; G191-V226 WeakPolarHBondContact CA-O 3.31Å; G191-V226 PolarHBondContact N-O 2.5Å; R192-V226 WeakPolarHBondContact O-CB 3.41Å; R192-V226 PolarHBondContact O-N 2.95Å; Y194-V226 HydrophobicContact CD2-CG2 3.71Å; Y194-V226 HydrophobicContact CE2-CG2 3.8Å; M224-V226 HydrophobicContact CG-CG2 4.45Å
227Q93.6Very high74.8Confident50 Ų5060.2 Ų60.223%0.23436%0.36CS..  trans-67.2145.5-174.4-62.8-62.7-30.300112.1D110 V111 Q112 D225D110-Q227 HydrophobicContact CB-CG 4.39Å; D110-Q227 PolarHBondContact OD1-NE2 2.72Å; V111-Q227 PolarHBondContact O-N 3.27Å; Q112-Q227 HydrophobicContact CG-CB 4.33Å; D225-Q227 PolarHBondContact O-N 2.9Å
228N87Confident72.1Confident66 Ų6661.9 Ų61.935%0.35337%0.369SS..  trans-74.4135.3171.9-83.2-36.5000110.3P190 G191 A230 N231P190-N228 WeakPolarHBondContact CB-OD1 3.42Å; G191-N228 VanDerWaalsContact CA-OD1 3.24Å; G191-N228 WeakPolarHBondContact CA-OD1 3.24Å; G191-N228 PolarHBondContact N-OD1 2.9Å; N228-A230 PolarHBondContact O-N 3.01Å; N228-A230 VanDerWaalsContact O-N 3.11Å; N228-N231 WeakPolarHBondContact O-CB 2.95Å; N228-N231 PolarHBondContact O-N 2.77Å
229A69.2Low69.4Low77 Ų7762.5 Ų62.564%0.63637%0.372SS*.G310 helixtrans-56.6-29.6174.100000112.6N231 N232A229-N231 VanDerWaalsContact C-N 3.3Å; A229-N231 PolarHBondContact O-N 2.75Å; A229-N232 PolarHBondContact O-N 3.33Å
230A61.7Low66.9Low67 Ų6766.5 Ų66.555%0.55439%0.392SS*.G310 helixtrans-66.2-28.117600000113.5N228 N232 L233N228-A230 PolarHBondContact O-N 3.01Å; N228-A230 VanDerWaalsContact O-N 3.11Å; A230-N232 PolarHBondContact O-N 2.97Å; A230-L233 PolarHBondContact O-N 3.21Å
231N55.2Low64.1Low75 Ų7569.9 Ų69.940%0.40142%0.421SS..G310 helixtrans-68.8-24.5179.4-74.7-2.6000112N228 A229 L233 T234 S235N228-N231 WeakPolarHBondContact O-CB 2.95Å; N228-N231 PolarHBondContact O-N 2.77Å; A229-N231 VanDerWaalsContact C-N 3.3Å; A229-N231 PolarHBondContact O-N 2.75Å; N231-L233 PolarHBondContact O-N 2.84Å; N231-T234 PolarHBondContact O-N 2.91Å; N231-S235 VanDerWaalsContact O-CB 3.28Å; N231-S235 WeakPolarHBondContact O-CB 3.38Å; N231-S235 PolarHBondContact O-N 2.98Å; N231-S235 PolarHBondContact O-OG 3.06Å
232N50.7Low61.1Low84 Ų8477.7 Ų77.745%0.44945%0.454SS..G310 helixtrans-71.8-14.2177.8-74.4-22.3000113.9Q112 A229 A230Q112-N232 PolarHBondContact NE2-ND2 3.06Å; Q112-N232 VanDerWaalsContact NE2-ND2 3.13Å; Q112-N232 PolarHBondContact NE2-OD1 3.21Å; Q112-N232 PolarHBondContact OE1-ND2 3.2Å; A229-N232 PolarHBondContact O-N 3.33Å; A230-N232 PolarHBondContact O-N 2.97Å
233L48.5Very low58Low158 Ų15882.9 Ų82.983%0.82749%0.487SS*.G310 helixtrans-92.7-14.2178.4-75157.8000113.2A230 N231A230-L233 PolarHBondContact O-N 3.21Å; N231-L233 PolarHBondContact O-N 2.84Å
234T45.5Very low55Low121 Ų12188.8 Ų88.874%0.74251%0.511SS*.THydrogen-bonded Turntrans-125.5-11.1-179.444.30000114.1N231 K236N231-T234 PolarHBondContact O-N 2.91Å; T234-K236 PolarHBondContact O-N 2.98Å
235S39.2Very low51.9Low64 Ų6496.1 Ų96.145%0.44855%0.546SS..SBendtrans-75111.116565.40000108.4N231N231-S235 VanDerWaalsContact O-CB 3.28Å; N231-S235 WeakPolarHBondContact O-CB 3.38Å; N231-S235 PolarHBondContact O-N 2.98Å; N231-S235 PolarHBondContact O-OG 3.06Å
236K30.7Very low48.8Very low155 Ų155101 Ų10167%0.67456%0.564SS**  trans-35.9131.3156.6-176.9179.8179.6178.10107.6T234T234-K236 PolarHBondContact O-N 2.98Å
237P38.7Very low45.8Very low98 Ų98108.3 Ų108.364%0.63660%0.595SS**PPolyproline II helixtrans-47.9135.8174.321.2-31.7000107N239P237-N239 PolarHBondContact O-N 3.07Å
238P37.2Very low42.8Very low119 Ų119114 Ų11477%0.77362%0.619SS**PPolyproline II helixtrans-50.1117.3179.121.5-30.6000105.8P240P238-P240 VanDerWaalsContact O-CD 3.28Å; P238-P240 WeakPolarHBondContact O-CD 3.44Å
239N34.3Very low40.3Very low89 Ų89116.1 Ų116.148%0.47663%0.63SS.*PPolyproline II helixtrans-53.8118-169.5-164.517.3000106.5P237 A241 K242P237-N239 PolarHBondContact O-N 3.07Å; N239-A241 PolarHBondContact O-N 2.8Å; N239-K242 PolarHBondContact O-N 3.25Å; N239-K242 VanDerWaalsContact O-N 3.14Å
240P41Very low38.4Very low112 Ų112118.3 Ų118.373%0.72764%0.635SS**THydrogen-bonded Turntrans-62.6-3.8-178.122.6-31000112.4P238P238-P240 VanDerWaalsContact O-CD 3.28Å; P238-P240 WeakPolarHBondContact O-CD 3.44Å
241A35.2Very low37Very low72 Ų72123.5 Ų123.560%0.59564%0.642SS**THydrogen-bonded Turntrans-92.78.317700000115.9N239 T243N239-A241 PolarHBondContact O-N 2.8Å; A241-T243 VanDerWaalsContact C-N 3.28Å
242K33.6Very low35.9Very low188 Ų188128.5 Ų128.582%0.81766%0.663SS**  trans-9860153.9-78.3-166.4179.3-171.30108.7N239 K244N239-K242 PolarHBondContact O-N 3.25Å; N239-K242 VanDerWaalsContact O-N 3.14Å; K242-K244 VanDerWaalsContact C-N 3.32Å; K242-K244 PolarHBondContact O-N 2.95Å
243T31.7Very low35.1Very low114 Ų114130.2 Ų130.270%0.69968%0.676SS**  trans-56.2106.6153.641.40000105.6A241 E245A241-T243 VanDerWaalsContact C-N 3.28Å; T243-E245 PolarHBondContact O-N 3.22Å
244K34.5Very low34.5Very low133 Ų133128.1 Ų128.158%0.57867%0.672SS**  trans-49.2112.4176.2-65.6175.7176.6-175.70106.9K242 Y246K242-K244 VanDerWaalsContact C-N 3.32Å; K242-K244 PolarHBondContact O-N 2.95Å; K244-Y246 HydrophobicContact CB-CE2 4.36Å; K244-Y246 WeakPolarHBondContact O-CD2 3.47Å; K244-Y246 WeakPolarHBondContact O-CE2 3.45Å; K244-Y246 PolarHBondContact O-N 2.88Å
245E29.6Very low34.2Very low154 Ų154129.5 Ų129.572%0.7267%0.67SS**  trans-64.1109.2169.4-93177.7160.500106.5T243 F247T243-E245 PolarHBondContact O-N 3.22Å; E245-F247 HydrophobicContact CB-CD2 4.49Å; E245-F247 HydrophobicContact CB-CE2 3.99Å; E245-F247 PolarHBondContact O-N 3.5Å
246Y33.1Very low34.1Very low126 Ų126136 Ų13649%0.49469%0.691SS.*  trans-79.4112.1175.5-58.2-95.3000106.9K244 V307K244-Y246 HydrophobicContact CB-CE2 4.36Å; K244-Y246 WeakPolarHBondContact O-CD2 3.47Å; K244-Y246 WeakPolarHBondContact O-CE2 3.45Å; K244-Y246 PolarHBondContact O-N 2.88Å; Y246-V307 HydrophobicContact CD1-CB 3.7Å; Y246-V307 HydrophobicContact CD1-CG1 3.98Å; Y246-V307 HydrophobicContact CD1-CG2 3.46Å; Y246-V307 VanDerWaalsContact CD1-CG2 3.46Å; Y246-V307 HydrophobicContact CE1-CB 4.11Å; Y246-V307 HydrophobicContact CE1-CG1 4.06Å; Y246-V307 HydrophobicContact CE1-CG2 3.58Å
247F32.1Very low34.6Very low153 Ų153136.5 Ų136.567%0.67169%0.693SS**  trans-92.6122.9162.6-70.4-87.3000108E245E245-F247 HydrophobicContact CB-CD2 4.49Å; E245-F247 HydrophobicContact CB-CE2 3.99Å; E245-F247 PolarHBondContact O-N 3.5Å
248F29.2Very low34.7Very low168 Ų168140 Ų14074%0.73770%0.701SS**  trans-80.3117.8178.2-45.3-86.3000108.5
249I34.6Very low35.1Very low112 Ų112141.5 Ų141.557%0.57470%0.703SS**  trans-98.9103165.2-55.1175.5000106.4Y251I249-Y251 PolarHBondContact O-N 2.88Å
250T30.6Very low35.7Very low122 Ų122144.1 Ų144.175%0.74872%0.717SS**  trans-75.2110.5164.546.40000107.8Q252T250-Q252 PolarHBondContact O-N 2.91Å; T250-Q252 VanDerWaalsContact O-N 3.13Å
251Y32.8Very low35.7Very low177 Ų177146.8 Ų146.869%0.69473%0.725SS**  trans-69107.6162.9-59.1-85.7000106.7I249 T253I249-Y251 PolarHBondContact O-N 2.88Å; Y251-T253 PolarHBondContact O-N 3.04Å; Y251-T253 VanDerWaalsContact O-N 3.17Å
252Q31.7Very low36.4Very low180 Ų180150.4 Ų150.484%0.84173%0.734SS**  trans-66.4109.5157.2-86.9172.3-43.900105.3T250T250-Q252 PolarHBondContact O-N 2.91Å; T250-Q252 VanDerWaalsContact O-N 3.13Å
253T33.4Very low36.8Very low119 Ų119145.8 Ų145.873%0.7373%0.726SS**  trans-47.4124.5160.138.30000106.6Y251 E255Y251-T253 PolarHBondContact O-N 3.04Å; Y251-T253 VanDerWaalsContact O-N 3.17Å; T253-E255 PolarHBondContact O-N 3.46Å
254P35.3Very low37Very low114 Ų114147.2 Ų147.274%0.7473%0.729SS**  trans-57.6115.2177.723.9-29.8000105.9F256P254-F256 PolarHBondContact O-N 3.18Å; P254-F256 VanDerWaalsContact O-N 3.1Å
255E39.4Very low37.5Very low150 Ų150149.9 Ų149.970%0.70174%0.744SS**  trans-52.1122.8167.4-74.4-176.5156.800105T253 F257T253-E255 PolarHBondContact O-N 3.46Å; E255-F257 VanDerWaalsContact C-N 3.26Å; E255-F257 WeakPolarHBondContact O-CD2 3.37Å; E255-F257 PolarHBondContact O-N 3.23Å
256F37Very low37.6Very low201 Ų201148.8 Ų148.888%0.88275%0.747SS**  trans-54.2102.6167.9-89-100.5000105.5P254 E258P254-F256 PolarHBondContact O-N 3.18Å; P254-F256 VanDerWaalsContact O-N 3.1Å; F256-E258 VanDerWaalsContact C-N 3.29Å; F256-E258 PolarHBondContact O-N 3.3Å
257F40.7Very low37.8Very low166 Ų166149.5 Ų149.573%0.72877%0.765SS**  trans-65.5104161.9-67.5-81.2000103.9E255 D259E255-F257 VanDerWaalsContact C-N 3.26Å; E255-F257 WeakPolarHBondContact O-CD2 3.37Å; E255-F257 PolarHBondContact O-N 3.23Å; F257-D259 PolarHBondContact O-N 2.81Å
258E42.1Very low37.8Very low171 Ų171150 Ų15080%0.79977%0.77SS**  trans-57.5100.8156.9-69.1177.5158.100104.4F256 D260F256-E258 VanDerWaalsContact C-N 3.29Å; F256-E258 PolarHBondContact O-N 3.3Å; E258-D260 PolarHBondContact O-N 2.98Å
259D44.8Very low38.2Very low151 Ų151148.2 Ų148.281%0.80777%0.772SS**  trans-64.496.4168.3-74.5-36.5000105.7F257 D261F257-D259 PolarHBondContact O-N 2.81Å; D259-D261 PolarHBondContact O-N 3.15Å; D259-D261 VanDerWaalsContact O-N 3.11Å
260D46.9Very low38.4Very low144 Ų144149 Ų14977%0.7778%0.778SS**  trans-56.5112.9169.2-79.4-42000108.1E258 D262E258-D260 PolarHBondContact O-N 2.98Å; D260-D262 PolarHBondContact O-N 2.78Å
261D42.2Very low38.5Very low167 Ų167154.3 Ų154.389%0.89379%0.785SS**  trans-54.1103.8170.8-94.6-40.8000110.4D259D259-D261 PolarHBondContact O-N 3.15Å; D259-D261 VanDerWaalsContact O-N 3.11Å
262D49Very low39.2Very low149 Ų149153.9 Ų153.980%0.79780%0.795SS**  trans-122.592.7164-88.1-29.5000110.4D260D260-D262 PolarHBondContact O-N 2.78Å
263S41.6Very low39.5Very low91 Ų91152.4 Ų152.464%0.63679%0.793SS**  trans36.2131.5138.362.40000121.3
264D37.1Very low39.9Very low143 Ų143152.2 Ų152.277%0.76580%0.797SS**  trans71.594.3142.8-57.6-18.8000118.9
265Q43.6Very low40.2Very low190 Ų190153.6 Ų153.689%0.88879%0.794SS**  -172.1124.7110.9-102.5162.262.700113.9
266T31.4Very low40.1Very low130 Ų130153.9 Ų153.980%0.79880%0.8SS**  trans-54.4131.6167.854.30000112.4
267T37.7Very low40Very low142 Ų142147.8 Ų147.887%0.87179%0.793SS**  trans-146.5112.6140.226.80000110.2
268Q32.5Very low39.5Very low163 Ų163148.3 Ų148.376%0.76280%0.798SS**  trans-71.4129175.5-179-176.3-1700109.6
269V38.3Very low39Very low131 Ų131147.1 Ų147.179%0.79480%0.796SS**  trans-134.3112.3163.1-172.70000107.9
270D37.8Very low38.3Very low129 Ų129146.4 Ų146.469%0.6980%0.797SS**  trans-66.5145.1-177.9-73.2-50.5000112.7
271Y33.8Very low37.4Very low232 Ų232146 Ų14691%0.9180%0.8SS**  trans-93.1122.5168.4-83.4-95.9000109.3
272D46.6Very low36.9Very low169 Ų169142.8 Ų142.890%0.90480%0.797SS**  trans-115.2127.2164.4-100.1-27.1000110.7
273D38.4Very low36.1Very low148 Ų148141.7 Ų141.779%0.79180%0.795SS**  trans-81.7130.4-178.8-170.213.5000109.9
274S42Very low35.8Very low116 Ų116143.5 Ų143.581%0.81180%0.802SS**  trans-151.5123161.8-171.50000111.4
275Q41.4Very low35.5Very low143 Ų143139.9 Ų139.967%0.66880%0.799SS**  trans-69.7155.4-178.9-63.6175-5.400112.9
276N37.9Very low35Very low155 Ų155138 Ų13883%0.82980%0.795SS**  trans86.8114.3153.2-53.5-34000117.7
277G33.3Very low35.4Very low73 Ų73142 Ų14275%0.75380%0.797SS**  trans137.292.6149.800000115.4
278E32Very low35.3Very low177 Ų177139.1 Ų139.183%0.82778%0.777SS**  trans69.5107.1136.3-153.3155.617700120.4
279I30Very low36.1Very low146 Ų146136.4 Ų136.475%0.74977%0.771SS**  trans38.9106.5142.5-55.3171.4000117
280T30.5Very low36.4Very low137 Ų137134.8 Ų134.884%0.8476%0.758SS**  trans-157.6131.1130.246.20000112.2
281T28.2Very low36.5Very low134 Ų134136 Ų13682%0.82276%0.76SS**  trans-38.3123.7170-330000114.6V283T281-V283 HydrophobicContact CG2-CG2 4.38Å
282A31Very low36.6Very low100 Ų100134.2 Ų134.283%0.82675%0.751SS**  trans-126.4106.2162.200000108.9
283V32.9Very low36.1Very low126 Ų126132.4 Ų132.476%0.76474%0.739SS**  trans-65.5131.3179.7171.10000109.2T281 G285T281-V283 HydrophobicContact CG2-CG2 4.38Å; V283-G285 PolarHBondContact O-N 3.2Å
284T35.7Very low35.7Very low129 Ų129134.5 Ų134.579%0.79174%0.736SS**  trans-53.6118.3168470000109.6D286T284-D286 PolarHBondContact O-N 3.23Å
285G29.7Very low35.3Very low68 Ų68134.9 Ų134.970%0.70173%0.734SS**  trans-61.9102.7175.100000110.8V283 Y287V283-G285 PolarHBondContact O-N 3.2Å; G285-Y287 PolarHBondContact O-N 3.42Å
286D33.7Very low34.9Very low149 Ų149134.7 Ų134.780%0.79774%0.742SS**  trans-73.3110.8164.9-168.719.1000106.9T284 D288T284-D286 PolarHBondContact O-N 3.23Å; D286-D288 VanDerWaalsContact C-N 3.28Å; D286-D288 PolarHBondContact O-N 3.04Å
287Y39.2Very low34.9Very low214 Ų214131.4 Ų131.484%0.83974%0.737SS**  trans-70.389.5173.9-76.9-85.8000108.3G285 T289G285-Y287 PolarHBondContact O-N 3.42Å; Y287-T289 PolarHBondContact O-N 2.91Å
288D36.1Very low34.9Very low82 Ų82138.8 Ų138.844%0.43975%0.748SS.*  trans-70.593.6176-167.34.9000109.7D286 N290 E291D286-D288 VanDerWaalsContact C-N 3.28Å; D286-D288 PolarHBondContact O-N 3.04Å; D288-N290 PolarHBondContact O-N 3.42Å; D288-N290 VanDerWaalsContact OD1-CB 3.24Å; D288-N290 WeakPolarHBondContact OD1-CB 3.17Å; D288-N290 PolarHBondContact OD1-N 3.4Å; D288-N290 PolarHBondContact OD1-ND2 2.8Å; D288-E291 PolarHBondContact O-N 2.99Å
289T48.5Very low34.9Very low106 Ų106133.1 Ų133.165%0.6574%0.738SS**THydrogen-bonded Turntrans-65.78.6174.750.30000113.5Y287 W292Y287-T289 PolarHBondContact O-N 2.91Å; T289-W292 PolarHBondContact O-NE1 3.3Å
290N45.9Very low34.9Very low97 Ų97134 Ų13452%0.51974%0.744SS.*THydrogen-bonded Turntrans-99.1-0.1178.6-54.5-59.4000114D288 W292D288-N290 PolarHBondContact O-N 3.42Å; D288-N290 VanDerWaalsContact OD1-CB 3.24Å; D288-N290 WeakPolarHBondContact OD1-CB 3.17Å; D288-N290 PolarHBondContact OD1-N 3.4Å; D288-N290 PolarHBondContact OD1-ND2 2.8Å; N290-W292 PolarHBondContact O-N 2.8Å
291E39.6Very low35.3Very low155 Ų155133.8 Ų133.872%0.72474%0.743SS**G310 helixtrans-74.8-21.7-175.6-162.8164.1-163.400114D288 M293D288-E291 PolarHBondContact O-N 2.99Å; E291-M293 VanDerWaalsContact C-N 3.34Å; E291-M293 PolarHBondContact O-N 3.36Å
292W36.9Very low35.6Very low194 Ų194133.3 Ų133.374%0.73574%0.739SS**G310 helixtrans-82.8-2.5179.564.1-82.3000114.9T289 N290T289-W292 PolarHBondContact O-NE1 3.3Å; N290-W292 PolarHBondContact O-N 2.8Å
293M35.4Very low35.8Very low132 Ų132134.8 Ų134.865%0.6573%0.733SS**G310 helixtrans-101.10.3177.3-69.2-162.8-162.900114.4E291 T295E291-M293 VanDerWaalsContact C-N 3.34Å; E291-M293 PolarHBondContact O-N 3.36Å; M293-T295 PolarHBondContact O-N 2.92Å
294R29.9Very low35.7Very low191 Ų191137.1 Ų137.172%0.72174%0.738SS**  trans-95.260.4-178.9-81.3-163.2-172.7113.42.6113.3
295T33.5Very low35.5Very low124 Ų124140.2 Ų140.276%0.76174%0.735SS**  trans-150.5121.3155.745.20000111.9M293M293-T295 PolarHBondContact O-N 2.92Å
296T33.4Very low35.8Very low139 Ų139142.6 Ų142.685%0.85372%0.724SS**  trans103.8127.6150.4-29.60000117.5
297A36.5Very low35.9Very low87 Ų87138.2 Ų138.272%0.71970%0.703SS**  trans88.994.4155.700000119.1G299A297-G299 PolarHBondContact O-N 3.42Å; A297-G299 VanDerWaalsContact O-N 3.12Å
298K33.8Very low35.9Very low228 Ų228130.5 Ų130.599%0.99168%0.678SS**  trans-60.993.9151.3-167.3-178.7-169.2179.50108.9
299G31.6Very low35.8Very low58 Ų58133.4 Ų133.460%0.59869%0.688SS**SBendtrans179.5121.5175.100000110.7A297 T301A297-G299 PolarHBondContact O-N 3.42Å; A297-G299 VanDerWaalsContact O-N 3.12Å; G299-T301 PolarHBondContact O-N 2.95Å
300D31.2Very low35.7Very low164 Ų164131.9 Ų131.988%0.87768%0.679SS**  trans22.391.4170.3-112.2-11.1000116.4T302D300-T302 PolarHBondContact O-N 3.47Å
301T38.2Very low35.8Very low133 Ų133132 Ų13282%0.81667%0.672SS**  trans-73.190.1174.150.30000109.9G299 D303G299-T301 PolarHBondContact O-N 2.95Å; T301-D303 PolarHBondContact O-N 3.39Å
302T34.4Very low36.1Very low123 Ų123126.7 Ų126.776%0.75565%0.652SS**  trans-71.5117.816036.50000109.1D300 M304D300-T302 PolarHBondContact O-N 3.47Å; T302-M304 PolarHBondContact O-N 2.95Å
303D34.8Very low36.7Very low131 Ų131119.6 Ų119.670%0.70163%0.631SS**  trans-52.8107171.8-68.4-30.8000110.2T301T301-D303 PolarHBondContact O-N 3.39Å
304M30.7Very low37.5Very low176 Ų176120.4 Ų120.487%0.86763%0.633SS**  trans-77.4125.1168.8-81.6-165.4-60.600109.2T302T302-M304 PolarHBondContact O-N 2.95Å
305W31.8Very low38.4Very low193 Ų193115.8 Ų115.873%0.73162%0.62SS**  trans-106.2126.8172.2-66.583.5000108.7
306Y35.7Very low39.1Very low118 Ų118114.5 Ų114.546%0.46361%0.605SS.*  trans-101.8144.1171.251.2-82.3000108.9L101 V308L101-Y306 HydrophobicContact CB-CE2 4.16Å; L101-Y306 WeakPolarHBondContact CB-OH 3.45Å; L101-Y306 HydrophobicContact CD1-CD2 4.02Å; L101-Y306 HydrophobicContact CD1-CE2 3.4Å; L101-Y306 HydrophobicContact CD2-CE2 3.4Å; L101-Y306 WeakPolarHBondContact CD2-OH 3.48Å; L101-Y306 HydrophobicContact CG-CE2 3.76Å; Y306-V308 HydrophobicContact CD2-CG2 3.89Å; Y306-V308 HydrophobicContact CE2-CG2 4.17Å
307V36.4Very low39.8Very low57 Ų57110.9 Ų110.935%0.34558%0.579SS.*  trans-109.4102.2176.9177.30000107.5Y246 H309Y246-V307 HydrophobicContact CD1-CB 3.7Å; Y246-V307 HydrophobicContact CD1-CG1 3.98Å; Y246-V307 HydrophobicContact CD1-CG2 3.46Å; Y246-V307 VanDerWaalsContact CD1-CG2 3.46Å; Y246-V307 HydrophobicContact CE1-CB 4.11Å; Y246-V307 HydrophobicContact CE1-CG1 4.06Å; Y246-V307 HydrophobicContact CE1-CG2 3.58Å; V307-H309 PolarHBondContact O-N 3.45Å
308V39.6Very low40.2Very low53 Ų53110 Ų11032%0.32157%0.565SS.*  trans-76.3103.3167.3-176.40000106.5A97 L101 Y306 T310A97-V308 HydrophobicContact CB-CB 4.38Å; L101-V308 HydrophobicContact CD1-CB 4.26Å; L101-V308 HydrophobicContact CD1-CG2 3.74Å; L101-V308 HydrophobicContact CD2-CG2 4.36Å; Y306-V308 HydrophobicContact CD2-CG2 3.89Å; Y306-V308 HydrophobicContact CE2-CG2 4.17Å; V308-T310 HydrophobicContact CG1-CG2 4Å; V308-T310 PolarHBondContact O-N 3.33Å
309H34.3Very low40.4Very low142 Ų142103.4 Ų103.466%0.65754%0.54SS*.  trans-67.889.8163.2-79-90.2000107.6V307 R311V307-H309 PolarHBondContact O-N 3.45Å; H309-R311 PolarHBondContact O-N 3.47Å
310T46.2Very low40.9Very low74 Ų74103.4 Ų103.445%0.45453%0.53SS..PPolyproline II helixtrans-68.6116.4160.260.40000105.8A97 V308A97-T310 HydrophobicContact CB-CG2 4.11Å; V308-T310 HydrophobicContact CG1-CG2 4Å; V308-T310 PolarHBondContact O-N 3.33Å
311R46.9Very low41.1Very low100 Ų100103 Ų10338%0.37752%0.518SS..PPolyproline II helixtrans-46.6151.4168.7-105.9178.5165.7-151.910.3109.9H309 E315 Q316 L319H309-R311 PolarHBondContact O-N 3.47Å; R311-E315 HydrophobicContact CB-CB 3.74Å; R311-E315 WeakPolarHBondContact CD-O 3.46Å; R311-E315 HydrophobicContact CG-CB 3.52Å; R311-E315 HydrophobicContact CG-CG 4.4Å; R311-E315 WeakPolarHBondContact CG-OE2 3.45Å; R311-E315 PolarHBondContact NH1-O 2.95Å; R311-Q316 HydrophobicContact CB-CG 3.51Å; R311-Q316 PolarHBondContact O-NE2 3.12Å; R311-L319 VanDerWaalsContact CZ-CD1 3.49Å
312S46.6Very low41.3Very low43 Ų43100.5 Ų100.530%0.30150%0.498SS..PPolyproline II helixtrans-55.2152.7171.583.20000109.4E314 E315 Q316S312-E314 PolarHBondContact O-N 2.98Å; S312-E314 PolarHBondContact OG-N 3.03Å; S312-E315 PolarHBondContact O-N 3.27Å; S312-E315 PolarHBondContact OG-N 2.84Å; S312-E315 VanDerWaalsContact OG-N 3.09Å; S312-Q316 PolarHBondContact O-N 2.93Å
313P49.2Very low41.5Very low46 Ų4699.7 Ų99.730%0.29949%0.49SS..Hα-helixtrans-51.8-30.7175.8-27.234.7000113.1Y91 Q317Y91-P313 HydrophobicContact CE1-CG 4.3Å; P313-Q317 VanDerWaalsContact O-CG 3.24Å; P313-Q317 WeakPolarHBondContact O-CG 3.36Å; P313-Q317 PolarHBondContact O-N 2.77Å
314E52.4Low41.9Very low149 Ų14998 Ų9870%0.69648%0.481SS*.Hα-helixtrans-71-40.1174.8-66.5166159.400112.4S312 Q317 T318S312-E314 PolarHBondContact O-N 2.98Å; S312-E314 PolarHBondContact OG-N 3.03Å; E314-Q317 PolarHBondContact O-N 3.17Å; E314-T318 PolarHBondContact O-N 3.01Å
315E49Very low42.2Very low93 Ų9394.1 Ų94.144%0.43546%0.46SS..Hα-helixtrans-75.9-26.8176-74.9-173.3123.200113.5R311 S312 Q317 T318 L319R311-E315 HydrophobicContact CB-CB 3.74Å; R311-E315 WeakPolarHBondContact CD-O 3.46Å; R311-E315 HydrophobicContact CG-CB 3.52Å; R311-E315 HydrophobicContact CG-CG 4.4Å; R311-E315 WeakPolarHBondContact CG-OE2 3.45Å; R311-E315 PolarHBondContact NH1-O 2.95Å; S312-E315 PolarHBondContact O-N 3.27Å; S312-E315 PolarHBondContact OG-N 2.84Å; S312-E315 VanDerWaalsContact OG-N 3.09Å; E315-Q317 VanDerWaalsContact C-N 3.34Å; E315-T318 WeakPolarHBondContact CA-OG1 3.48Å; E315-T318 PolarHBondContact O-OG1 2.74Å; E315-L319 PolarHBondContact O-N 3.27Å
316Q49.4Very low42.5Very low98 Ų9892.8 Ų92.846%0.45846%0.455SS..Hα-helixtrans-70.3-35.9172.7-67.9-177.21700110.8R311 S312 L319 S320R311-Q316 HydrophobicContact CB-CG 3.51Å; R311-Q316 PolarHBondContact O-NE2 3.12Å; S312-Q316 PolarHBondContact O-N 2.93Å; Q316-L319 PolarHBondContact O-N 3.32Å; Q316-S320 PolarHBondContact O-N 3.44Å
317Q48.1Very low42.6Very low62 Ų6293.4 Ų93.429%0.2947%0.466SS..Hα-helixtrans-72-37177.5-74.717117.800112.9S125 P313 E314 E315 L319 S320 Y321S125-Q317 PolarHBondContact OG-NE2 3.29Å; S125-Q317 PolarHBondContact OG-OE1 3.05Å; P313-Q317 VanDerWaalsContact O-CG 3.24Å; P313-Q317 WeakPolarHBondContact O-CG 3.36Å; P313-Q317 PolarHBondContact O-N 2.77Å; E314-Q317 PolarHBondContact O-N 3.17Å; E315-Q317 VanDerWaalsContact C-N 3.34Å; Q317-L319 VanDerWaalsContact C-N 3.28Å; Q317-L319 PolarHBondContact O-N 3.13Å; Q317-S320 WeakPolarHBondContact CA-OG 3.22Å; Q317-S320 PolarHBondContact O-N 2.88Å; Q317-S320 PolarHBondContact O-OG 3Å; Q317-Y321 WeakPolarHBondContact O-CB 3.34Å; Q317-Y321 PolarHBondContact O-N 3.47Å
318T43.1Very low42.7Very low70 Ų7099.1 Ų99.143%0.42949%0.49SS..Hα-helixtrans-63.6-34.6173.350.70000112.1E314 E315 I322E314-T318 PolarHBondContact O-N 3.01Å; E315-T318 WeakPolarHBondContact CA-OG1 3.48Å; E315-T318 PolarHBondContact O-OG1 2.74Å; T318-I322 WeakPolarHBondContact O-CB 3.11Å; T318-I322 VanDerWaalsContact O-CD1 3.32Å; T318-I322 WeakPolarHBondContact O-CD1 3.3Å; T318-I322 WeakPolarHBondContact O-CG1 3.32Å; T318-I322 PolarHBondContact O-N 3.26Å
319L38.2Very low42.3Very low88 Ų88103 Ų10346%0.46150%0.504SS..Hα-helixtrans-69.1-45.5172.5-94.2163.7000112.3R311 E315 Q316 Q317 Y321 I322 D323R311-L319 VanDerWaalsContact CZ-CD1 3.49Å; E315-L319 PolarHBondContact O-N 3.27Å; Q316-L319 PolarHBondContact O-N 3.32Å; Q317-L319 VanDerWaalsContact C-N 3.28Å; Q317-L319 PolarHBondContact O-N 3.13Å; L319-Y321 PolarHBondContact O-N 2.9Å; L319-I322 PolarHBondContact O-N 3.43Å; L319-D323 WeakPolarHBondContact O-CB 3.24Å; L319-D323 PolarHBondContact O-N 3.1Å
320S41.9Very low42Very low58 Ų58102.2 Ų102.241%0.40652%0.515SS..Hα-helixtrans-65.1-29.8175.665.80000112.9Q316 Q317 N324Q316-S320 PolarHBondContact O-N 3.44Å; Q317-S320 WeakPolarHBondContact CA-OG 3.22Å; Q317-S320 PolarHBondContact O-N 2.88Å; Q317-S320 PolarHBondContact O-OG 3Å; S320-N324 VanDerWaalsContact O-CB 3.3Å; S320-N324 WeakPolarHBondContact O-CB 3.49Å; S320-N324 PolarHBondContact O-N 2.92Å; S320-N324 PolarHBondContact O-ND2 3.22Å
321Y36.6Very low41.3Very low157 Ų157102.7 Ų102.762%0.61652%0.517SS*.Hα-helixtrans-72.5-42.1175-177.6-93.2000111.2Q317 L319 N324 Q325Q317-Y321 WeakPolarHBondContact O-CB 3.34Å; Q317-Y321 PolarHBondContact O-N 3.47Å; L319-Y321 PolarHBondContact O-N 2.9Å; Y321-N324 PolarHBondContact O-N 3.19Å; Y321-Q325 VanDerWaalsContact O-CB 3.28Å; Y321-Q325 WeakPolarHBondContact O-CB 3.28Å; Y321-Q325 PolarHBondContact O-N 3Å
322I41.3Very low40.5Very low79 Ų79103.5 Ų103.541%0.40553%0.533SS..Hα-helixtrans-61.6-49173-71.2164.2000109.5T318 L319 N324 Q325 W326T318-I322 WeakPolarHBondContact O-CB 3.11Å; T318-I322 VanDerWaalsContact O-CD1 3.32Å; T318-I322 WeakPolarHBondContact O-CD1 3.3Å; T318-I322 WeakPolarHBondContact O-CG1 3.32Å; T318-I322 PolarHBondContact O-N 3.26Å; L319-I322 PolarHBondContact O-N 3.43Å; I322-N324 VanDerWaalsContact C-N 3.31Å; I322-N324 PolarHBondContact O-N 3.42Å; I322-Q325 PolarHBondContact O-N 3.41Å; I322-W326 VanDerWaalsContact CG2-CD1 3.49Å; I322-W326 PolarHBondContact O-N 3.47Å
323D39.9Very low39.8Very low107 Ų107107.1 Ų107.157%0.57256%0.556SS**Hα-helixtrans-61.3-36.9-179.3-150.232000112.5L319 N327L319-D323 WeakPolarHBondContact O-CB 3.24Å; L319-D323 PolarHBondContact O-N 3.1Å; D323-N327 PolarHBondContact O-ND2 2.8Å
324N42.9Very low39Very low95 Ų95110.9 Ų110.951%0.50857%0.573SS.*Hα-helixtrans-74-28.5173.6-69.7-28.2000113.2S320 Y321 I322 N327S320-N324 VanDerWaalsContact O-CB 3.3Å; S320-N324 WeakPolarHBondContact O-CB 3.49Å; S320-N324 PolarHBondContact O-N 2.92Å; S320-N324 PolarHBondContact O-ND2 3.22Å; Y321-N324 PolarHBondContact O-N 3.19Å; I322-N324 VanDerWaalsContact C-N 3.31Å; I322-N324 PolarHBondContact O-N 3.42Å; N324-N327 PolarHBondContact O-N 3.09Å
325Q37.8Very low38Very low94 Ų94109.9 Ų109.944%0.43957%0.572SS.*Hα-helixtrans-78.5-27.4178.2-162.3174.45.800112.2Y321 I322 N327Y321-Q325 VanDerWaalsContact O-CB 3.28Å; Y321-Q325 WeakPolarHBondContact O-CB 3.28Å; Y321-Q325 PolarHBondContact O-N 3Å; I322-Q325 PolarHBondContact O-N 3.41Å; Q325-N327 PolarHBondContact O-N 3.25Å
326W36.3Very low37.4Very low166 Ų166110.6 Ų110.663%0.62959%0.587SS**THydrogen-bonded Turntrans-73.1-13.9171.4-77.399.9000113.7I322 V331I322-W326 VanDerWaalsContact CG2-CD1 3.49Å; I322-W326 PolarHBondContact O-N 3.47Å; W326-V331 HydrophobicContact CE3-CG2 4.26Å; W326-V331 HydrophobicContact CZ3-CB 4.3Å; W326-V331 HydrophobicContact CZ3-CG1 4.18Å; W326-V331 HydrophobicContact CZ3-CG2 4Å
327N38.5Very low36.9Very low130 Ų130109.8 Ų109.870%0.69560%0.598SS**THydrogen-bonded Turntrans-92.2-8.7177.5-72.5-26.1000114.1D323 N324 Q325D323-N327 PolarHBondContact O-ND2 2.8Å; N324-N327 PolarHBondContact O-N 3.09Å; Q325-N327 PolarHBondContact O-N 3.25Å
328E37.5Very low36.5Very low178 Ų178110.1 Ų110.183%0.83260%0.604SS**THydrogen-bonded Turntrans-114.7-7.4-177.3-82.6-171.814900115.2
329E32.3Very low36Very low135 Ų135115.6 Ų115.663%0.63162%0.617SS**SBendtrans-117.9119.8174.1-72.4-174.1168.600111.2V331E329-V331 WeakPolarHBondContact O-CG2 3.35Å; E329-V331 PolarHBondContact O-N 3.01Å
330S28.8Very low35.8Very low125 Ų125120.1 Ų120.187%0.87463%0.633SS**  trans-48.195.617153.60000112.1
331V30.5Very low35.3Very low84 Ų84126.1 Ų126.151%0.50965%0.652SS.*  trans-104.999.7172.3-176.30000109.1W326 E329W326-V331 HydrophobicContact CE3-CG2 4.26Å; W326-V331 HydrophobicContact CZ3-CB 4.3Å; W326-V331 HydrophobicContact CZ3-CG1 4.18Å; W326-V331 HydrophobicContact CZ3-CG2 4Å; E329-V331 WeakPolarHBondContact O-CG2 3.35Å; E329-V331 PolarHBondContact O-N 3.01Å
332T29.6Very low35.2Very low116 Ų116124 Ų12471%0.71265%0.654SS**PPolyproline II helixtrans-50.1139.4165.646.60000110.9L334T332-L334 PolarHBondContact O-N 3.35Å
333P32.3Very low34.8Very low119 Ų119129.1 Ų129.177%0.77367%0.674SS**PPolyproline II helixtrans-66121-174.42.85.8000110.7N335P333-N335 PolarHBondContact O-N 3.02Å
334L32.3Very low34.3Very low126 Ų126126.9 Ų126.966%0.6668%0.677SS**PPolyproline II helixtrans-68.6120.2168-95.8113.4000109.5T332 T338T332-L334 PolarHBondContact O-N 3.35Å; L334-T338 HydrophobicContact CD2-CG2 4.08Å
335N31Very low33.9Very low128 Ų128128.2 Ų128.268%0.68469%0.688SS**PPolyproline II helixtrans-50.8147-180-71.8-14.1000113.7P333 A337 T338P333-N335 PolarHBondContact O-N 3.02Å; N335-A337 PolarHBondContact O-N 2.88Å; N335-T338 PolarHBondContact O-N 2.95Å
336S36.3Very low33.5Very low107 Ų107133.7 Ų133.775%0.74871%0.711SS**THydrogen-bonded Turntrans-51.8-16.8-176.358.30000116.2
337A40.1Very low33.1Very low82 Ų82134.9 Ų134.968%0.67872%0.724SS**THydrogen-bonded Turntrans-74.4-25.2176.600000113.8N335N335-A337 PolarHBondContact O-N 2.88Å
338T38.9Very low32.6Very low69 Ų69137.9 Ų137.942%0.42373%0.733SS.*THydrogen-bonded Turntrans-90.1-24.9-176-36.90000112.6L334 N335 K340 K341L334-T338 HydrophobicContact CD2-CG2 4.08Å; N335-T338 PolarHBondContact O-N 2.95Å; T338-K340 PolarHBondContact O-N 2.91Å; T338-K341 PolarHBondContact O-N 3.11Å; T338-K341 VanDerWaalsContact O-N 3.09Å
339R32.2Very low32.1Very low185 Ų185138.6 Ų138.670%0.69874%0.737SS**Hα-helixtrans-59-29.2175-91.8-173.8-169.8-172.12.6113.1K341R339-K341 VanDerWaalsContact C-N 3.31Å; R339-K341 PolarHBondContact O-N 3.07Å
340K34.1Very low32.1Very low183 Ų183144.2 Ų144.280%0.79677%0.77SS**Hα-helixtrans-74.2-15.1177.9-82.3-176174.6179.30114.6T338T338-K340 PolarHBondContact O-N 2.91Å
341K32.1Very low32.2Very low184 Ų184145.2 Ų145.280%0.876%0.764SS**Hα-helixtrans-94.2-16.3-175.5-145.4174.4-174.9-179.40113.8T338 R339T338-K341 PolarHBondContact O-N 3.11Å; T338-K341 VanDerWaalsContact O-N 3.09Å; R339-K341 VanDerWaalsContact C-N 3.31Å; R339-K341 PolarHBondContact O-N 3.07Å
342V34.5Very low32.3Very low111 Ų111148.4 Ų148.467%0.67378%0.778SS**Hα-helixtrans-98.6-24.9-175.8-176.20000112.2
343F33.6Very low32.5Very low187 Ų187150.2 Ų150.282%0.8278%0.782SS**SBendtrans-102.28.1-179.8-82.6-87000114.4
344G29.7Very low32.5Very low61 Ų61152 Ų15263%0.62978%0.782SS**SBendtrans-9410-168.600000117.4
345T33.1Very low32.5Very low122 Ų122153.6 Ų153.675%0.74879%0.79SS**SBendtrans-126.716.6-168.332.50000115.9
346F30.4Very low32.6Very low209 Ų209155.3 Ų155.392%0.91780%0.797SS**SBendtrans-125.625.3-176.2-117.3-88.7000115.4
347Q28.3Very low32.3Very low192 Ų192158.8 Ų158.890%0.89780%0.8SS**  trans-129.776.9175.2-111.7-171.8-51.300109.9
348E27.4Very low31.7Very low193 Ų193164.7 Ų164.790%0.90281%0.81SS**  trans178.2103.6157.4-106.3172.2172.900108.6
349E26.5Very low31.1Very low192 Ų192172.7 Ų172.790%0.89784%0.842SS**  trans144.583.3161-85.7-172.5162.200109.7
350L31.6Very low31Very low253 Ų253171.5 Ų171.5100%1.32586%0.855SS**  trans172.60142.5-93.6163.5000111.2

Retrieved 350 of 350 residues in 207.4 ms (Link to these results)