X5D146_HUMAN Loading...

Butyrophilin like 2

AlphaFold DB , UniProt , Accession X5D146, Species HUMAN (Homo sapiens, Human), Gene BTNL2, Length 455 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
1M35.6Very low44Very low247 Ų247134 Ų134100%1.21775%0.75SS**  0118.40-164.8153.8177.500105.8
2V38.6Very low44.9Very low108 Ų108128 Ų12866%0.65573%0.73SS**  trans-63.1134.9-173.9177.70000108.8F4V2-F4 HydrophobicContact CG1-CD2 3.55Å; V2-F4 HydrophobicContact CG1-CE2 4.04Å
3D28.8Very low45.8Very low172 Ų172124.7 Ų124.792%0.9271%0.714SS**  trans-143.1125.5147.1-98.7-32.1000110.8
4F32.7Very low46.5Very low182 Ų182119.1 Ų119.180%0.79869%0.69SS**  trans-95.6174.9-173.1-107.5-70.2000109.1V2V2-F4 HydrophobicContact CG1-CD2 3.55Å; V2-F4 HydrophobicContact CG1-CE2 4.04Å
5P46.3Very low47.1Very low69 Ų69115.5 Ų115.545%0.44867%0.674SS.*  -89165.3-12840.4-30.7000114.4Y7P5-Y7 HydrophobicContact CG-CD2 3.96Å; P5-Y7 HydrophobicContact CG-CE2 3.4Å; P5-Y7 WeakPolarHBondContact O-CD2 3.35Å; P5-Y7 PolarHBondContact O-N 3.28Å
6G48.8Very low47.6Very low86 Ų86117.2 Ų117.289%0.88767%0.671SS**  trans-61.1104.6166.700000111.3
7Y44.4Very low48Very low196 Ų196115.9 Ų115.977%0.76966%0.661SS**  trans-90.2121166.1-75.2-76.4000109.4P5 L9P5-Y7 HydrophobicContact CG-CD2 3.96Å; P5-Y7 HydrophobicContact CG-CE2 3.4Å; P5-Y7 WeakPolarHBondContact O-CD2 3.35Å; P5-Y7 PolarHBondContact O-N 3.28Å; Y7-L9 PolarHBondContact O-N 3.31Å
8N48.6Very low48.2Very low135 Ų135117.6 Ų117.672%0.72266%0.66SS**  trans-68.5113.6-177.3-147.4-13.2000109.5S10 G11N8-S10 PolarHBondContact O-N 3.38Å; N8-G11 PolarHBondContact O-N 3.07Å
9L51.1Low48.4Very low148 Ų148116.2 Ų116.278%0.77565%0.65SS**Hα-helixtrans-58.2-20.8-177.8-133.883000112.9Y7 V13Y7-L9 PolarHBondContact O-N 3.31Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.19Å; L9-V13 PolarHBondContact O-N 3.19Å
10S56.2Low48.6Very low88 Ų88116.1 Ų116.162%0.61565%0.647SS**Hα-helixtrans-71.6-34.1176.2172.10000113.4N8 A14N8-S10 PolarHBondContact O-N 3.38Å; S10-A14 VanDerWaalsContact O-CB 3.27Å; S10-A14 WeakPolarHBondContact O-CB 3.29Å; S10-A14 PolarHBondContact O-N 3.24Å; S10-A14 VanDerWaalsContact O-N 3.13Å
11G53.1Low48.6Very low43 Ų43117 Ų11744%0.44365%0.65SS.*Hα-helixtrans-76.4-36.8-179.200000112.8N8 S15N8-G11 PolarHBondContact O-N 3.07Å; G11-S15 WeakPolarHBondContact O-CB 3.47Å; G11-S15 PolarHBondContact O-N 3.1Å
12A54.7Low49.1Very low62 Ų62110 Ų11051%0.51262%0.621SS.*Hα-helixtrans-69.7-39178.200000112.2S15 F16A12-S15 PolarHBondContact O-N 3.35Å; A12-F16 WeakPolarHBondContact O-CB 3.2Å; A12-F16 PolarHBondContact O-N 2.71Å
13V55.9Low49.3Very low85 Ų85111.5 Ų111.552%0.51562%0.623SS.*Hα-helixtrans-71.7-39.9176.7179.60000111.1L9 S15 F16 L17L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.19Å; L9-V13 PolarHBondContact O-N 3.19Å; V13-S15 VanDerWaalsContact C-N 3.35Å; V13-F16 PolarHBondContact O-N 2.99Å; V13-L17 HydrophobicContact CG1-CD1 4Å; V13-L17 WeakPolarHBondContact O-CB 3.23Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 2.9Å
14A55.9Low50.1Low46 Ų46112.4 Ų112.438%0.3862%0.619SS.*Hα-helixtrans-65.5-37172.600000112.1S10 F18S10-A14 VanDerWaalsContact O-CB 3.27Å; S10-A14 WeakPolarHBondContact O-CB 3.29Å; S10-A14 PolarHBondContact O-N 3.24Å; S10-A14 VanDerWaalsContact O-N 3.13Å; A14-F18 WeakPolarHBondContact O-CB 3.3Å; A14-F18 WeakPolarHBondContact O-CD2 3.44Å; A14-F18 PolarHBondContact O-N 2.9Å
15S56.3Low50.8Low66 Ų66111.2 Ų111.246%0.46262%0.616SS.*Hα-helixtrans-72.9-33.9176.1-158.10000112.2G11 A12 V13 I19G11-S15 WeakPolarHBondContact O-CB 3.47Å; G11-S15 PolarHBondContact O-N 3.1Å; A12-S15 PolarHBondContact O-N 3.35Å; V13-S15 VanDerWaalsContact C-N 3.35Å; S15-I19 WeakPolarHBondContact O-CB 3.26Å; S15-I19 WeakPolarHBondContact O-CD1 3.35Å; S15-I19 WeakPolarHBondContact O-CG1 3.4Å; S15-I19 PolarHBondContact O-N 2.99Å
16F54.3Low51.2Low142 Ų142111.3 Ų111.362%0.62362%0.618SS**Hα-helixtrans-70.3-39.2171.7-118.7-92.7000111.9A12 V13 I19 L20A12-F16 WeakPolarHBondContact O-CB 3.2Å; A12-F16 PolarHBondContact O-N 2.71Å; V13-F16 PolarHBondContact O-N 2.99Å; F16-I19 PolarHBondContact O-N 2.94Å; F16-L20 HydrophobicContact CD1-CD1 4.3Å; F16-L20 VanDerWaalsContact O-CB 3.32Å; F16-L20 WeakPolarHBondContact O-CB 3.2Å; F16-L20 WeakPolarHBondContact O-CD1 3.43Å; F16-L20 WeakPolarHBondContact O-CG 3.49Å; F16-L20 PolarHBondContact O-N 2.8Å
17L54.3Low51.6Low96 Ų96111.7 Ų111.750%0.50360%0.597SS.*Hα-helixtrans-64.8-41172-84.2157.7000111.2V13 L20 L21V13-L17 HydrophobicContact CG1-CD1 4Å; V13-L17 WeakPolarHBondContact O-CB 3.23Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 2.9Å; L17-L20 PolarHBondContact O-N 3.01Å; L17-L21 VanDerWaalsContact O-CB 3.24Å; L17-L21 WeakPolarHBondContact O-CB 3.22Å; L17-L21 VanDerWaalsContact O-CD1 3.3Å; L17-L21 WeakPolarHBondContact O-CD1 3.18Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 2.86Å
18F51.7Low53.1Low145 Ų145108.7 Ų108.764%0.63659%0.594SS**Hα-helixtrans-64.9-40.8172.1-102.8-85.3000112A14 L21 T22A14-F18 WeakPolarHBondContact O-CB 3.3Å; A14-F18 WeakPolarHBondContact O-CD2 3.44Å; A14-F18 PolarHBondContact O-N 2.9Å; F18-L21 CarbonylContact O-C 3.53Å; F18-L21 PolarHBondContact O-N 3.32Å; F18-T22 WeakPolarHBondContact O-CB 3.49Å; F18-T22 VanDerWaalsContact O-CG2 3.28Å; F18-T22 WeakPolarHBondContact O-CG2 2.93Å; F18-T22 PolarHBondContact O-N 2.99Å; F18-T22 PolarHBondContact O-OG1 3.04Å
19I53.2Low54.8Low91 Ų91102.8 Ų102.847%0.46756%0.562SS.*Hα-helixtrans-65.4-40.8175.6-70.6162.5000111S15 F16 T22 M23S15-I19 WeakPolarHBondContact O-CB 3.26Å; S15-I19 WeakPolarHBondContact O-CD1 3.35Å; S15-I19 WeakPolarHBondContact O-CG1 3.4Å; S15-I19 PolarHBondContact O-N 2.99Å; F16-I19 PolarHBondContact O-N 2.94Å; I19-T22 WeakPolarHBondContact CA-OG1 3.04Å; I19-T22 CarbonylContact O-C 3.57Å; I19-T22 PolarHBondContact O-N 2.76Å; I19-T22 PolarHBondContact O-OG1 2.92Å; I19-M23 VanDerWaalsContact O-CG 3.32Å; I19-M23 WeakPolarHBondContact O-CG 3.42Å; I19-M23 PolarHBondContact O-N 3.34Å
20L51.3Low56.6Low115 Ų115103.6 Ų103.660%0.60256%0.555SS**Hα-helixtrans-67.2-32.1173-79.8157.2000112.9F16 L17F16-L20 HydrophobicContact CD1-CD1 4.3Å; F16-L20 VanDerWaalsContact O-CB 3.32Å; F16-L20 WeakPolarHBondContact O-CB 3.2Å; F16-L20 WeakPolarHBondContact O-CD1 3.43Å; F16-L20 WeakPolarHBondContact O-CG 3.49Å; F16-L20 PolarHBondContact O-N 2.8Å; L17-L20 PolarHBondContact O-N 3.01Å
21L49.6Very low58.3Low136 Ų136100 Ų10071%0.71253%0.529SS*.Hα-helixtrans-80.4-22174-80.7153.7000113L17 F18L17-L21 VanDerWaalsContact O-CB 3.24Å; L17-L21 WeakPolarHBondContact O-CB 3.22Å; L17-L21 VanDerWaalsContact O-CD1 3.3Å; L17-L21 WeakPolarHBondContact O-CD1 3.18Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 2.86Å; F18-L21 CarbonylContact O-C 3.53Å; F18-L21 PolarHBondContact O-N 3.32Å
22T45.5Very low60.2Low99 Ų99100.7 Ų100.761%0.60752%0.522SS*.Hα-helixtrans-96.4-5.9174.358.70000114.1F18 I19 K24F18-T22 WeakPolarHBondContact O-CB 3.49Å; F18-T22 VanDerWaalsContact O-CG2 3.28Å; F18-T22 WeakPolarHBondContact O-CG2 2.93Å; F18-T22 PolarHBondContact O-N 2.99Å; F18-T22 PolarHBondContact O-OG1 3.04Å; I19-T22 WeakPolarHBondContact CA-OG1 3.04Å; I19-T22 CarbonylContact O-C 3.57Å; I19-T22 PolarHBondContact O-N 2.76Å; I19-T22 PolarHBondContact O-OG1 2.92Å; T22-K24 PolarHBondContact O-N 2.83Å
23M42.1Very low61.9Low139 Ų13999 Ų9969%0.68551%0.51SS*.SBendtrans-67.479.1155.8-67.6-137.173.100106.6I19 Q25I19-M23 VanDerWaalsContact O-CG 3.32Å; I19-M23 WeakPolarHBondContact O-CG 3.42Å; I19-M23 PolarHBondContact O-N 3.34Å; M23-Q25 VanDerWaalsContact C-N 3.33Å; M23-Q25 PolarHBondContact O-N 3.11Å
24K45.3Very low63.6Low192 Ų19297 Ų9784%0.83550%0.499SS*.  trans-46.2108.6162.7-162.3-176.5-173.8-171.60104.1T22 S26T22-K24 PolarHBondContact O-N 2.83Å; K24-S26 VanDerWaalsContact C-N 3.27Å; K24-S26 PolarHBondContact O-N 2.94Å
25Q48.2Very low65.2Low157 Ų15799.5 Ų99.573%0.73452%0.52SS*.  trans-53.6102.6177.9-164.8169.9100104.7M23 E27M23-Q25 VanDerWaalsContact C-N 3.33Å; M23-Q25 PolarHBondContact O-N 3.11Å; Q25-E27 HydrophobicContact CB-CG 4.37Å; Q25-E27 HydrophobicContact CG-CG 4.17Å; Q25-E27 PolarHBondContact O-N 3.38Å
26S54.8Low66.9Low71 Ų71103.6 Ų103.650%0.49753%0.531SS..  trans-74.689-179.8-163.90000103.8K24 D28 Y131K24-S26 VanDerWaalsContact C-N 3.27Å; K24-S26 PolarHBondContact O-N 2.94Å; S26-D28 PolarHBondContact O-N 3.4Å; S26-Y131 VanDerWaalsContact OG-CE2 3.26Å; S26-Y131 WeakPolarHBondContact OG-CE2 3.41Å; S26-Y131 VanDerWaalsContact OG-CZ 3.25Å; S26-Y131 PolarHBondContact OG-OH 2.93Å
27E58.3Low68.8Low93 Ų9399.8 Ų99.844%0.43552%0.521SS..  trans-71.599.7-169.6-69.7-158.7157.400109.2Q25 F29 R56Q25-E27 HydrophobicContact CB-CG 4.37Å; Q25-E27 HydrophobicContact CG-CG 4.17Å; Q25-E27 PolarHBondContact O-N 3.38Å; E27-F29 PolarHBondContact O-N 3.01Å; E27-R56 PolarHBondContact O-NH1 2.88Å; E27-R56 VanDerWaalsContact O-NH1 3.16Å
28D74.1Confident70.8Confident133 Ų13396.6 Ų96.671%0.71150%0.504SS*.  trans-47125.7163.7-161.614.2000109S26S26-D28 PolarHBondContact O-N 3.4Å
29F85.3Confident72.8Confident11 Ų1194.3 Ų94.35%0.04850%0.498CS..  trans-120.2152.7-178.471.7-93.7000110.6E27 V31 L52 L53 F126 D128E27-F29 PolarHBondContact O-N 3.01Å; F29-V31 HydrophobicContact CD2-CG2 4.39Å; F29-V31 HydrophobicContact CE2-CG2 4.22Å; F29-L52 HydrophobicContact CB-CD2 3.71Å; F29-L52 HydrophobicContact CB-CG 4.23Å; F29-L52 HydrophobicContact CD2-CD1 3.79Å; F29-L52 HydrophobicContact CD2-CD2 4.22Å; F29-L52 HydrophobicContact CD2-CG 3.81Å; F29-L52 HydrophobicContact CE2-CD1 4.12Å; F29-L52 HydrophobicContact CG-CD1 4.22Å; F29-L52 HydrophobicContact CG-CD2 4.12Å; F29-L52 HydrophobicContact CG-CG 4.21Å; F29-L53 WeakPolarHBondContact CA-O 3.29Å; F29-F126 HydrophobicContact CE2-CB 3.72Å; F29-F126 HydrophobicContact CZ-CB 4.16Å; F29-D128 HydrophobicContact CE1-CB 3.98Å; F29-D128 HydrophobicContact CZ-CB 4.45Å
30R88.8Confident74.9Confident166 Ų16690.2 Ų90.263%0.62648%0.477SS*.EExtended strand (participates in β ladder)trans-124.3155.617169.2-177.9-176.9-155.91.4110.8L53R30-L53 HydrophobicContact CG-CB 3.96Å; R30-L53 PolarHBondContact N-O 3Å; R30-L53 PolarHBondContact O-N 2.81Å
31V91.5Very high77Confident11 Ų1185.5 Ų85.57%0.06746%0.457CS..EExtended strand (participates in β ladder)trans-106134175.6-172.30000108.2F29 C50 Q51 F126 G133 T135F29-V31 HydrophobicContact CD2-CG2 4.39Å; F29-V31 HydrophobicContact CE2-CG2 4.22Å; V31-C50 HydrophobicContact CG1-CB 3.94Å; V31-Q51 WeakPolarHBondContact CA-O 3.36Å; V31-F126 HydrophobicContact CB-CD2 4.27Å; V31-F126 HydrophobicContact CG1-CD2 3.73Å; V31-F126 HydrophobicContact CG1-CE2 3.64Å; V31-F126 HydrophobicContact CG2-CB 3.96Å; V31-F126 HydrophobicContact CG2-CD2 3.44Å; V31-F126 VanDerWaalsContact CG2-CD2 3.44Å; V31-F126 HydrophobicContact CG2-CE2 4.11Å; V31-F126 HydrophobicContact CG2-CG 3.93Å; V31-G133 VanDerWaalsContact CG2-C 3.44Å; V31-G133 VanDerWaalsContact CG2-O 3.25Å; V31-G133 WeakPolarHBondContact CG2-O 3.35Å; V31-T135 HydrophobicContact CB-CG2 4.39Å; V31-T135 HydrophobicContact CG1-CG2 3.66Å
32I92.6Very high79.1Confident59 Ų5981 Ų8130%0.30344%0.435SS..EExtended strand (participates in β ladder)trans-118.2134.5175.355158.1000109.9C50 Q51 L53I32-C50 WeakPolarHBondContact O-CA 3.32Å; I32-Q51 HydrophobicContact CD1-CB 4.3Å; I32-Q51 HydrophobicContact CD1-CG 4.46Å; I32-Q51 HydrophobicContact CG1-CB 3.96Å; I32-Q51 HydrophobicContact CG1-CG 4.4Å; I32-Q51 VanDerWaalsContact CG1-O 3.28Å; I32-Q51 WeakPolarHBondContact CG1-O 2.96Å; I32-Q51 PolarHBondContact N-O 3.05Å; I32-Q51 PolarHBondContact O-N 3.07Å; I32-L53 HydrophobicContact CD1-CD1 3.56Å; I32-L53 HydrophobicContact CD1-CG 3.99Å; I32-L53 HydrophobicContact CG1-CD1 3.89Å; I32-L53 HydrophobicContact CG1-CG 4.06Å; I32-L53 HydrophobicContact CG2-CD1 3.85Å
33G91.5Very high81.3Confident26 Ų2678.2 Ų78.227%0.26843%0.425SS..  trans-105.6-179.5174.800000111.9T135G33-T135 PolarHBondContact N-OG1 2.98Å
34P92.2Very high83.8Confident44 Ų4477.3 Ų77.329%0.28642%0.42SS..  trans-61.2141.7171.828.7-36.5000110.9H36 I38 T49 L137P34-H36 VanDerWaalsContact C-N 3.34Å; P34-I38 HydrophobicContact CG-CD1 4.02Å; P34-I38 HydrophobicContact CG-CG1 4.15Å; P34-T49 WeakPolarHBondContact CD-O 3.48Å; P34-L137 HydrophobicContact CG-CB 3.95Å
35A89.3Confident86.2Confident98 Ų9871.8 Ų71.881%0.8140%0.399SS*.SBendtrans-77.3-21.2178.100000113.3
36H92.2Very high88.4Confident151 Ų15164.5 Ų64.570%0.69937%0.366SS*.SBendtrans-117.6154.8-179.4-58.196000110P34P34-H36 VanDerWaalsContact C-N 3.34Å
37P93.5Very high90.2Very high62 Ų6265 Ų6540%0.40336%0.363SS..PPolyproline II helixtrans-57.2142.1174.3-22.133.6000111.4L138 K140P37-L138 CarbonylContact C-O 3.52Å; P37-L138 VanDerWaalsContact CA-O 3.28Å; P37-L138 WeakPolarHBondContact CA-O 3.26Å; P37-L138 HydrophobicContact CB-CB 4.27Å; P37-L138 HydrophobicContact CB-CD2 4.22Å; P37-L138 HydrophobicContact CB-CG 4.32Å; P37-L138 HydrophobicContact CG-CD2 4.03Å; P37-K140 HydrophobicContact CB-CD 4.01Å; P37-K140 HydrophobicContact CB-CG 4Å; P37-K140 HydrophobicContact CG-CD 4.37Å
38I95.1Very high91.9Very high30 Ų3060.6 Ų60.615%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-81.9123.5170.8-60.8165.2000106.5P34 L48 L137 L138 L139 K140P34-I38 HydrophobicContact CG-CD1 4.02Å; P34-I38 HydrophobicContact CG-CG1 4.15Å; I38-L48 HydrophobicContact CD1-CD2 3.65Å; I38-L137 HydrophobicContact CD1-CD1 4.18Å; I38-L138 PolarHBondContact N-O 3.12Å; I38-L139 HydrophobicContact CB-CD1 4.18Å; I38-L139 HydrophobicContact CG2-CD1 3.98Å; I38-K140 PolarHBondContact O-N 3.12Å
39L95.3Very high92.8Very high96 Ų9657.1 Ų57.150%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-96.7131.7176.3178.964000109K140 A142 V224 L225L39-K140 WeakPolarHBondContact CA-O 3.21Å; L39-K140 HydrophobicContact CD1-CB 4.46Å; L39-A142 HydrophobicContact CD1-CB 4.26Å; L39-V224 HydrophobicContact CD1-CG1 3.7Å; L39-L225 HydrophobicContact CD1-CD2 3.97Å; L39-L225 HydrophobicContact CD2-CD2 3.73Å; L39-L225 HydrophobicContact CG-CD2 4.22Å
40A96.3Very high93.2Very high5 Ų556.9 Ų56.94%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-137.9141.4175.300000111.4A46 I114 L139 K140 V141 A142A40-A46 HydrophobicContact CB-CB 3.8Å; A40-I114 HydrophobicContact CB-CG1 4.16Å; A40-I114 HydrophobicContact CB-CG2 4.36Å; A40-L139 HydrophobicContact CB-CD1 3.98Å; A40-K140 PolarHBondContact N-O 2.9Å; A40-V141 WeakPolarHBondContact O-CA 3.22Å; A40-A142 PolarHBondContact O-N 3.45Å
41G95Very high93.2Very high16 Ų1650.9 Ų50.917%0.16530%0.304CS..EExtended strand (participates in β ladder)trans-71.8147.2172.100000112.4G43 E44 A142G41-G43 PolarHBondContact O-N 3.38Å; G41-E44 WeakPolarHBondContact CA-OE2 3.37Å; G41-E44 PolarHBondContact N-OE2 3.37Å; G41-E44 VanDerWaalsContact N-OE2 3.14Å; G41-E44 WeakPolarHBondContact O-CB 3.31Å; G41-E44 PolarHBondContact O-N 2.75Å; G41-E44 VanDerWaalsContact O-N 3.13Å; G41-A142 CarbonylContact C-O 3.51Å; G41-A142 WeakPolarHBondContact CA-O 3.36Å
42V94.3Very high93.1Very high43 Ų4350.4 Ų50.426%0.26130%0.301SS..THydrogen-bonded Turntrans-60129.7165.3177.40000109.3E44 I114 P116 V141 A142 F170 L199V42-E44 VanDerWaalsContact C-N 3.25Å; V42-E44 PolarHBondContact O-N 2.74Å; V42-I114 CarbonylContact C-O 3.55Å; V42-I114 WeakPolarHBondContact CA-O 3.24Å; V42-P116 HydrophobicContact CG2-CG 4.22Å; V42-V141 HydrophobicContact CG2-CG1 3.65Å; V42-A142 PolarHBondContact N-O 3.14Å; V42-F170 HydrophobicContact CG2-CB 4.26Å; V42-L199 HydrophobicContact CG1-CD2 4.33Å; V42-L199 HydrophobicContact CG2-CD2 4.28Å
43G92.3Very high92.7Very high39 Ų3949.6 Ų49.640%0.40230%0.297SS..THydrogen-bonded Turntrans80.7-5.5-176.500000115G41 N113 I114G41-G43 PolarHBondContact O-N 3.38Å; G43-N113 WeakPolarHBondContact CA-OD1 3.31Å; G43-I114 PolarHBondContact N-O 2.75Å
44E94.2Very high92.5Very high121 Ų12151.2 Ų51.257%0.56530%0.303SS*.SBendtrans-88178.4174.1-60.5-170.5152.300111.7G41 V42 N113 I114G41-E44 WeakPolarHBondContact CA-OE2 3.37Å; G41-E44 PolarHBondContact N-OE2 3.37Å; G41-E44 VanDerWaalsContact N-OE2 3.14Å; G41-E44 WeakPolarHBondContact O-CB 3.31Å; G41-E44 PolarHBondContact O-N 2.75Å; G41-E44 VanDerWaalsContact O-N 3.13Å; V42-E44 VanDerWaalsContact C-N 3.25Å; V42-E44 PolarHBondContact O-N 2.74Å; E44-N113 WeakPolarHBondContact O-CA 3.45Å; E44-N113 PolarHBondContact O-N 3.46Å; E44-N113 VanDerWaalsContact O-N 3.17Å; E44-I114 WeakPolarHBondContact O-CB 3.42Å; E44-I114 WeakPolarHBondContact O-CG1 3.47Å; E44-I114 PolarHBondContact O-N 3.33Å
45D94.8Very high92.2Very high75 Ų7555.5 Ų55.540%0.40132%0.317SS..  trans-97.5137.1173.3-62.4-21000110.4K110 I111 H112 N113D45-K110 HydrophobicContact CB-CG 4.36Å; D45-K110 WeakPolarHBondContact OD2-CE 3.21Å; D45-K110 IonicContact OD2-NZ 3.77Å; D45-K110 PolarHBondContact OD2-NZ 3.35Å; D45-I111 CarbonylContact C-O 3.5Å; D45-I111 VanDerWaalsContact CA-O 3.26Å; D45-I111 WeakPolarHBondContact CA-O 3.31Å; D45-H112 VanDerWaalsContact CG-ND1 3.33Å; D45-H112 VanDerWaalsContact OD1-CA 3.25Å; D45-H112 WeakPolarHBondContact OD1-CA 3.41Å; D45-H112 IonicContact OD1-CG 3.07Å; D45-H112 IonicContact OD1-ND1 3.32Å; D45-H112 PolarHBondContact OD1-ND1 3.22Å; D45-H112 IonicContact OD2-CE1 3.15Å; D45-H112 IonicContact OD2-ND1 2.68Å; D45-H112 PolarHBondContact OD2-ND1 2.81Å; D45-N113 PolarHBondContact OD1-N 3.23Å
46A94.5Very high91.7Very high4 Ų453.6 Ų53.63%0.03329%0.289CS..EExtended strand (participates in β ladder)trans-105142.717000000111.4A40 K110 I111 I114 L139A40-A46 HydrophobicContact CB-CB 3.8Å; A46-K110 CarbonylContact O-C 3.52Å; A46-K110 VanDerWaalsContact O-CA 3.3Å; A46-K110 WeakPolarHBondContact O-CA 3.41Å; A46-I111 PolarHBondContact N-O 2.92Å; A46-I111 PolarHBondContact O-N 3.22Å; A46-I114 HydrophobicContact CB-CD1 3.65Å; A46-I114 HydrophobicContact CB-CG1 3.8Å; A46-L139 HydrophobicContact CB-CD1 3.86Å; A46-L139 HydrophobicContact CB-CD2 4.41Å
47L94.2Very high91Very high83 Ų8349.6 Ų49.644%0.43528%0.275SS..EExtended strand (participates in β ladder)trans-113107.7175-170.270.9000110.6T49 I98 A108 K110L47-T49 HydrophobicContact CD2-CG2 4.05Å; L47-T49 HydrophobicContact CG-CG2 3.95Å; L47-I98 HydrophobicContact CD1-CG1 3.95Å; L47-A108 HydrophobicContact CD1-CB 3.87Å; L47-A108 HydrophobicContact CG-CB 4.24Å; L47-K110 HydrophobicContact CD1-CB 3.93Å; L47-K110 HydrophobicContact CD1-CG 4.47Å
48L94.1Very high89.7Confident0 Ų046.8 Ų46.80%026%0.257CS..EExtended strand (participates in β ladder)trans-90.4122.5176.3-49.1-173.8000109.4I38 W65 A108 L109 I111 Y122 L137 L139I38-L48 HydrophobicContact CD1-CD2 3.65Å; L48-W65 HydrophobicContact CB-CE3 4.13Å; L48-W65 HydrophobicContact CB-CH2 3.68Å; L48-W65 HydrophobicContact CB-CZ2 4.5Å; L48-W65 HydrophobicContact CB-CZ3 3.45Å; L48-W65 VanDerWaalsContact CB-CZ3 3.45Å; L48-W65 HydrophobicContact CD1-CE3 4.16Å; L48-W65 HydrophobicContact CD1-CZ3 4.17Å; L48-W65 HydrophobicContact CG-CZ3 4.46Å; L48-W65 WeakPolarHBondContact O-CH2 3.42Å; L48-A108 CarbonylContact O-C 3.56Å; L48-A108 WeakPolarHBondContact O-CA 3.23Å; L48-L109 HydrophobicContact CB-CB 4.5Å; L48-L109 PolarHBondContact N-O 2.99Å; L48-L109 PolarHBondContact O-N 3.43Å; L48-I111 HydrophobicContact CD1-CD1 3.62Å; L48-I111 HydrophobicContact CD1-CG1 4.37Å; L48-I111 HydrophobicContact CG-CD1 4.23Å; L48-Y122 HydrophobicContact CD1-CD1 3.7Å; L48-Y122 HydrophobicContact CD1-CD2 4.46Å; L48-Y122 HydrophobicContact CD1-CE1 4.11Å; L48-Y122 HydrophobicContact CD1-CG 3.91Å; L48-L137 HydrophobicContact CB-CD1 3.88Å; L48-L137 HydrophobicContact CD1-CD1 3.93Å; L48-L137 HydrophobicContact CD2-CD1 3.72Å; L48-L137 HydrophobicContact CG-CD1 4.04Å; L48-L139 HydrophobicContact CD2-CD1 4.37Å
49T92.8Very high88.3Confident59 Ų5950.9 Ų50.936%0.36228%0.277SS..EExtended strand (participates in β ladder)trans-125136.9-17464.60000112.3P34 L47 V107 A108P34-T49 WeakPolarHBondContact CD-O 3.48Å; L47-T49 HydrophobicContact CD2-CG2 4.05Å; L47-T49 HydrophobicContact CG-CG2 3.95Å; T49-V107 WeakPolarHBondContact CA-O 3.33Å; T49-A108 HydrophobicContact CG2-CB 3.86Å
50C92.3Very high87.1Confident6 Ų653.3 Ų53.34%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-137.7158.3169.1-67.60000111.2V31 I32 W65 V107 C124 F126 T135 L137V31-C50 HydrophobicContact CG1-CB 3.94Å; I32-C50 WeakPolarHBondContact O-CA 3.32Å; C50-W65 HydrophobicContact CB-CH2 4.27Å; C50-V107 HydrophobicContact CB-CG2 4.29Å; C50-V107 PolarHBondContact N-O 2.79Å; C50-V107 PolarHBondContact O-N 3.36Å; C50-C124 HydrophobicContact CB-CB 3.72Å; C50-C124 VanDerWaalsContact CB-SG 3.52Å; C50-C124 WeakPolarHBondContact SG-CB 3.39Å; C50-F126 HydrophobicContact CB-CE2 4.35Å; C50-T135 HydrophobicContact CB-CG2 4.2Å; C50-T135 WeakPolarHBondContact SG-CG2 3.42Å; C50-L137 WeakPolarHBondContact SG-CD2 3.42Å
51Q90.4Very high86.3Confident41 Ų4153.4 Ų53.419%0.19229%0.285CS..EExtended strand (participates in β ladder)trans-134.4138.6-177.9172.7173.957.500111.4V31 I32 K55 G105 N106V31-Q51 WeakPolarHBondContact CA-O 3.36Å; I32-Q51 HydrophobicContact CD1-CB 4.3Å; I32-Q51 HydrophobicContact CD1-CG 4.46Å; I32-Q51 HydrophobicContact CG1-CB 3.96Å; I32-Q51 HydrophobicContact CG1-CG 4.4Å; I32-Q51 VanDerWaalsContact CG1-O 3.28Å; I32-Q51 WeakPolarHBondContact CG1-O 2.96Å; I32-Q51 PolarHBondContact N-O 3.05Å; I32-Q51 PolarHBondContact O-N 3.07Å; Q51-K55 VanDerWaalsContact NE2-CE 3.29Å; Q51-G105 WeakPolarHBondContact CA-O 3.48Å; Q51-N106 VanDerWaalsContact CD-OD1 3.25Å; Q51-N106 WeakPolarHBondContact CG-OD1 2.99Å; Q51-N106 PolarHBondContact NE2-OD1 3.01Å
52L89.3Confident86Confident0 Ų053.7 Ų53.70%028%0.282CS..EExtended strand (participates in β ladder)trans-86.3134.4174-160.5153.3000110.6F29 P54 R56 T58 G105 F126F29-L52 HydrophobicContact CB-CD2 3.71Å; F29-L52 HydrophobicContact CB-CG 4.23Å; F29-L52 HydrophobicContact CD2-CD1 3.79Å; F29-L52 HydrophobicContact CD2-CD2 4.22Å; F29-L52 HydrophobicContact CD2-CG 3.81Å; F29-L52 HydrophobicContact CE2-CD1 4.12Å; F29-L52 HydrophobicContact CG-CD1 4.22Å; F29-L52 HydrophobicContact CG-CD2 4.12Å; F29-L52 HydrophobicContact CG-CG 4.21Å; L52-P54 VanDerWaalsContact CD2-O 3.3Å; L52-P54 WeakPolarHBondContact CD2-O 3.33Å; L52-R56 HydrophobicContact CD2-CG 3.73Å; L52-T58 HydrophobicContact CD1-CG2 4.23Å; L52-G105 PolarHBondContact N-O 2.89Å; L52-F126 HydrophobicContact CB-CE1 4.37Å; L52-F126 HydrophobicContact CD1-CB 4.49Å; L52-F126 HydrophobicContact CD1-CD1 3.65Å; L52-F126 HydrophobicContact CD1-CE1 4.05Å; L52-F126 HydrophobicContact CD1-CG 4.23Å
53L84.1Confident85.7Confident42 Ų4251.7 Ų51.722%0.2227%0.27CS..EExtended strand (participates in β ladder)trans-123.7132.2174.6-70.2179.8000110.8F29 R30 I32 K55F29-L53 WeakPolarHBondContact CA-O 3.29Å; R30-L53 HydrophobicContact CG-CB 3.96Å; R30-L53 PolarHBondContact N-O 3Å; R30-L53 PolarHBondContact O-N 2.81Å; I32-L53 HydrophobicContact CD1-CD1 3.56Å; I32-L53 HydrophobicContact CD1-CG 3.99Å; I32-L53 HydrophobicContact CG1-CD1 3.89Å; I32-L53 HydrophobicContact CG1-CG 4.06Å; I32-L53 HydrophobicContact CG2-CD1 3.85Å; L53-K55 HydrophobicContact CD2-CG 4.34Å
54P85.7Confident85.7Confident61 Ų6153.9 Ų53.940%0.39627%0.267SS..SBendcis-65.6155.5-4.228.8-34.8000112.9L52 R56L52-P54 VanDerWaalsContact CD2-O 3.3Å; L52-P54 WeakPolarHBondContact CD2-O 3.33Å; P54-R56 PolarHBondContact O-N 3.01Å
55K85.9Confident85.5Confident134 Ų13448.2 Ų48.258%0.58324%0.24SC*.  trans-63.9118-176.5-65.6-176.1-173.4-174.80110.6Q51 L53 K104Q51-K55 VanDerWaalsContact NE2-CE 3.29Å; L53-K55 HydrophobicContact CD2-CG 4.34Å; K55-K104 WeakPolarHBondContact CB-O 3.37Å
56R80.1Confident85.2Confident57 Ų5746.9 Ų46.922%0.21523%0.23CC..  trans-150.1166.5177.862.7-173.7-165.1-178.413.2110.4E27 L52 P54 K104 G105 D128E27-R56 PolarHBondContact O-NH1 2.88Å; E27-R56 VanDerWaalsContact O-NH1 3.16Å; L52-R56 HydrophobicContact CD2-CG 3.73Å; P54-R56 PolarHBondContact O-N 3.01Å; R56-K104 CarbonylContact O-C 3.55Å; R56-G105 WeakPolarHBondContact O-CA 3.46Å; R56-G105 PolarHBondContact O-N 2.72Å; R56-D128 IonicContact CZ-OD2 2.96Å; R56-D128 IonicContact NH2-OD2 3.76Å; R56-D128 PolarHBondContact NH2-OD2 3.42Å
57T76.1Confident85Confident67 Ų6748.5 Ų48.541%0.41124%0.235SC..  trans-64.3142.8179.8-172.90000112M59 I102T57-M59 WeakPolarHBondContact OG1-CG 3.43Å; T57-M59 PolarHBondContact OG1-N 2.75Å; T57-I102 WeakPolarHBondContact CA-O 3.16Å
58T66.8Low84.3Confident4 Ų446.2 Ų46.23%0.02523%0.226CC..  trans-108.214.1175.453.30000113.1L52 H60 V61 I102 F126L52-T58 HydrophobicContact CD1-CG2 4.23Å; T58-H60 PolarHBondContact O-N 3.25Å; T58-H60 VanDerWaalsContact O-N 3.13Å; T58-V61 HydrophobicContact CG2-CB 4.45Å; T58-V61 PolarHBondContact O-N 2.96Å; T58-V61 VanDerWaalsContact O-N 3.09Å; T58-I102 PolarHBondContact N-O 3.28Å; T58-I102 VanDerWaalsContact N-O 3.14Å; T58-I102 WeakPolarHBondContact OG1-CG2 3.28Å; T58-I102 PolarHBondContact OG1-O 3.19Å; T58-F126 HydrophobicContact CG2-CD1 4.24Å; T58-F126 HydrophobicContact CG2-CE1 3.66Å
59M65.5Low83.2Confident116 Ų11654.2 Ų54.257%0.57126%0.263SS*.THydrogen-bonded Turntrans-57-27.8-178.8-78176168.400114.9T57 I102T57-M59 WeakPolarHBondContact OG1-CG 3.43Å; T57-M59 PolarHBondContact OG1-N 2.75Å; M59-I102 HydrophobicContact CG-CG2 4.04Å
60H69.4Low81.9Confident147 Ų14756.2 Ų56.268%0.68128%0.277SS*.THydrogen-bonded Turntrans-118.516.9179.2-57.3-55.2000112.3T58T58-H60 PolarHBondContact O-N 3.25Å; T58-H60 VanDerWaalsContact O-N 3.13Å
61V81.5Confident80.9Confident6 Ų660.3 Ų60.34%0.03631%0.306CS..SBendtrans-105.8129.7179.9-176.20000107.6T58 F126 Q127 D128T58-V61 HydrophobicContact CG2-CB 4.45Å; T58-V61 PolarHBondContact O-N 2.96Å; T58-V61 VanDerWaalsContact O-N 3.09Å; V61-F126 HydrophobicContact CG1-CB 4.15Å; V61-F126 HydrophobicContact CG1-CD1 3.73Å; V61-F126 HydrophobicContact CG1-CG 4.43Å; V61-Q127 WeakPolarHBondContact CG1-O 3.38Å; V61-D128 HydrophobicContact CG1-CB 4.25Å; V61-D128 HydrophobicContact CG2-CB 4.22Å
62E87.6Confident80.4Confident22 Ų2259 Ų5910%0.10330%0.301CS..EExtended strand (participates in β ladder)trans-77.9132.1174.4171176.9173.500109.8R64 H77 R78 F126 Q127E62-R64 HydrophobicContact CG-CG 4.31Å; E62-R64 IonicContact OE1-CZ 2.64Å; E62-R64 IonicContact OE1-NE 3.84Å; E62-R64 PolarHBondContact OE1-NE 3.42Å; E62-R64 IonicContact OE1-NH2 3.08Å; E62-R64 PolarHBondContact OE1-NH2 3.04Å; E62-R64 IonicContact OE2-NH2 2.7Å; E62-H77 CarbonylContact C-O 3.53Å; E62-H77 VanDerWaalsContact CA-O 3.3Å; E62-H77 WeakPolarHBondContact CA-O 3.49Å; E62-R78 HydrophobicContact CB-CB 4.43Å; E62-R78 HydrophobicContact CB-CG 4.28Å; E62-R78 VanDerWaalsContact CD-NH2 3.3Å; E62-R78 HydrophobicContact CG-CB 4.24Å; E62-R78 HydrophobicContact CG-CG 4.42Å; E62-R78 IonicContact OE1-CZ 3.16Å; E62-R78 IonicContact OE1-NE 3.3Å; E62-R78 IonicContact OE1-NH2 4Å; E62-R78 PolarHBondContact OE1-NH2 2.96Å; E62-R78 IonicContact OE2-CZ 2.75Å; E62-R78 IonicContact OE2-NE 2.82Å; E62-R78 PolarHBondContact OE2-NE 2.86Å; E62-R78 IonicContact OE2-NH2 3.9Å; E62-R78 PolarHBondContact OE2-NH2 2Å; E62-F126 CarbonylContact O-C 3.6Å; E62-F126 WeakPolarHBondContact O-CA 3.17Å; E62-Q127 HydrophobicContact CB-CB 4.16Å; E62-Q127 PolarHBondContact N-O 2.72Å; E62-Q127 PolarHBondContact O-N 3.45Å
63V89.2Confident80Confident1 Ų161.3 Ų61.31%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-120.3127.1180-174.70000109V76 H77 W97 V107 H125 F126V63-V76 WeakPolarHBondContact O-CA 2.94Å; V63-H77 PolarHBondContact N-O 3.41Å; V63-H77 PolarHBondContact O-N 3.32Å; V63-W97 HydrophobicContact CB-CH2 4.06Å; V63-W97 HydrophobicContact CB-CZ3 4.47Å; V63-W97 HydrophobicContact CG1-CH2 4.05Å; V63-W97 HydrophobicContact CG1-CZ3 4.17Å; V63-W97 HydrophobicContact CG2-CH2 4.2Å; V63-V107 HydrophobicContact CG1-CG2 4.13Å; V63-V107 HydrophobicContact CG2-CG1 4.26Å; V63-H125 CarbonylContact C-O 3.43Å; V63-H125 WeakPolarHBondContact CA-O 3.14Å; V63-F126 HydrophobicContact CG1-CE2 4.35Å; V63-F126 HydrophobicContact CG1-CZ 4.38Å; V63-F126 HydrophobicContact CG2-CD1 3.71Å; V63-F126 HydrophobicContact CG2-CE1 3.62Å; V63-F126 HydrophobicContact CG2-CG 4.36Å; V63-F126 HydrophobicContact CG2-CZ 4.22Å
64R90.2Very high80Confident86 Ų8659.3 Ų59.333%0.32531%0.306SS..EExtended strand (participates in β ladder)trans-121.8137178.4-56.6-179.2-177.3162.65.7110.2E62 F75 V76 H125E62-R64 HydrophobicContact CG-CG 4.31Å; E62-R64 IonicContact OE1-CZ 2.64Å; E62-R64 IonicContact OE1-NE 3.84Å; E62-R64 PolarHBondContact OE1-NE 3.42Å; E62-R64 IonicContact OE1-NH2 3.08Å; E62-R64 PolarHBondContact OE1-NH2 3.04Å; E62-R64 IonicContact OE2-NH2 2.7Å; R64-F75 WeakPolarHBondContact CA-O 3.15Å; R64-V76 HydrophobicContact CG-CG1 4.21Å; R64-V76 HydrophobicContact CG-CG2 4.23Å; R64-H125 HydrophobicContact CB-CB 4.24Å; R64-H125 PolarHBondContact N-O 2.97Å; R64-H125 PolarHBondContact O-N 2.81Å
65W91.3Very high80.1Confident1 Ų156.4 Ų56.40%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-113.1129.3167.8-66.386.1000109.1L48 C50 V74 F75 W97 V107 L109 W123 C124 L137L48-W65 HydrophobicContact CB-CE3 4.13Å; L48-W65 HydrophobicContact CB-CH2 3.68Å; L48-W65 HydrophobicContact CB-CZ2 4.5Å; L48-W65 HydrophobicContact CB-CZ3 3.45Å; L48-W65 VanDerWaalsContact CB-CZ3 3.45Å; L48-W65 HydrophobicContact CD1-CE3 4.16Å; L48-W65 HydrophobicContact CD1-CZ3 4.17Å; L48-W65 HydrophobicContact CG-CZ3 4.46Å; L48-W65 WeakPolarHBondContact O-CH2 3.42Å; C50-W65 HydrophobicContact CB-CH2 4.27Å; W65-V74 HydrophobicContact CB-CB 4.33Å; W65-V74 PolarHBondContact O-N 2.94Å; W65-F75 HydrophobicContact CB-CB 4.27Å; W65-F75 PolarHBondContact N-O 2.91Å; W65-F75 PolarHBondContact O-N 2.78Å; W65-W97 AromaticContact NE1-CZ3 3.94Å; W65-V107 HydrophobicContact CZ2-CG2 4.17Å; W65-L109 HydrophobicContact CB-CD2 3.77Å; W65-L109 HydrophobicContact CD2-CB 4.05Å; W65-L109 HydrophobicContact CD2-CD2 4.08Å; W65-L109 HydrophobicContact CG-CB 4.24Å; W65-L109 HydrophobicContact CG-CD2 3.65Å; W65-L109 HydrophobicContact CZ2-CB 4.16Å; W65-W123 VanDerWaalsContact CA-O 3.3Å; W65-W123 WeakPolarHBondContact CA-O 3.45Å; W65-C124 HydrophobicContact CD2-CB 4.19Å; W65-C124 HydrophobicContact CE3-CB 3.94Å; W65-C124 HydrophobicContact CH2-CB 3.78Å; W65-C124 HydrophobicContact CZ2-CB 4.03Å; W65-C124 VanDerWaalsContact CZ2-SG 3.53Å; W65-C124 HydrophobicContact CZ3-CB 3.73Å; W65-L137 HydrophobicContact CE3-CD2 4.42Å; W65-L137 HydrophobicContact CH2-CD2 4.12Å; W65-L137 HydrophobicContact CZ3-CD1 3.92Å; W65-L137 HydrophobicContact CZ3-CD2 3.48Å; W65-L137 VanDerWaalsContact CZ3-CD2 3.48Å; W65-L137 HydrophobicContact CZ3-CG 4.28Å
66Y89.2Confident80.1Confident47 Ų4750.2 Ų50.218%0.18426%0.26CS..EExtended strand (participates in β ladder)trans-143.6152.4174.958.1-88.8000112.5T72 Y122 W123 H125 E134Y66-T72 CarbonylContact C-O 3.57Å; Y66-T72 WeakPolarHBondContact CA-O 3.31Å; Y66-T72 WeakPolarHBondContact CB-O 3.01Å; Y66-Y122 CarbonylContact O-C 3.55Å; Y66-Y122 WeakPolarHBondContact O-CA 3.46Å; Y66-W123 HydrophobicContact CD1-CB 4.14Å; Y66-W123 HydrophobicContact CD2-CB 3.82Å; Y66-W123 AromaticContact CD2-CD1 3.99Å; Y66-W123 HydrophobicContact CD2-CG 4.13Å; Y66-W123 HydrophobicContact CE1-CB 3.72Å; Y66-W123 HydrophobicContact CE2-CB 3.37Å; Y66-W123 AromaticContact CE2-CD1 3.54Å; Y66-W123 HydrophobicContact CE2-CD2 4.34Å; Y66-W123 AromaticContact CE2-CG 3.45Å; Y66-W123 HydrophobicContact CE2-CG 3.45Å; Y66-W123 VanDerWaalsContact CE2-CG 3.45Å; Y66-W123 HydrophobicContact CG-CB 4.18Å; Y66-W123 AromaticContact CZ-CG 3.72Å; Y66-W123 PolarHBondContact N-O 2.74Å; Y66-W123 VanDerWaalsContact N-O 3.13Å; Y66-W123 PolarHBondContact O-N 2.83Å; Y66-H125 HydrophobicContact CE1-CB 3.85Å; Y66-E134 PolarHBondContact OH-OE2 2.86Å
67R88.9Confident80.4Confident38 Ų3848.3 Ų48.314%0.14325%0.253CS..EExtended strand (participates in β ladder)trans-82.3152.3172.5-66.8-174.763.1177.31110.7S71 T72 V74 Y91 S117 N119 Y122R67-S71 VanDerWaalsContact O-CA 3.23Å; R67-S71 WeakPolarHBondContact O-CA 3.37Å; R67-T72 PolarHBondContact N-O 2.82Å; R67-T72 PolarHBondContact O-N 3.16Å; R67-V74 HydrophobicContact CG-CG2 3.76Å; R67-Y91 VanDerWaalsContact CD-OH 3.3Å; R67-Y91 WeakPolarHBondContact CD-OH 3.35Å; R67-Y91 PolarHBondContact NH1-OH 3.36Å; R67-S117 PolarHBondContact NH1-O 2.97Å; R67-S117 PolarHBondContact NH2-O 2.95Å; R67-N119 PolarHBondContact NH2-O 2.96Å; R67-Y122 HydrophobicContact CG-CD1 3.83Å; R67-Y122 HydrophobicContact CG-CE1 3.49Å; R67-Y122 VanDerWaalsContact CG-CE1 3.49Å; R67-Y122 HydrophobicContact CG-CG 4.48Å
68S79.5Confident80.7Confident36 Ų3648.5 Ų48.525%0.25225%0.247SC..THydrogen-bonded Turntrans-72.5-40.4177.3-64.60000113.3P70 S71 Q121 W123S68-P70 CarbonylContact O-C 3.56Å; S68-S71 PolarHBondContact O-N 3.02Å; S68-Q121 PolarHBondContact N-O 2.84Å; S68-W123 PolarHBondContact OG-NE1 2.85Å
69E72.4Confident81.1Confident168 Ų16853.6 Ų53.679%0.78527%0.274SS*.THydrogen-bonded Turntrans-139.4107.9-168-71-177.9-173.300112
70P63.5Low81.4Confident101 Ų10150.3 Ų50.366%0.65627%0.27SS*.THydrogen-bonded Turncis-64.9162.4-16.124.3-25.2000111.7S68 T72S68-P70 CarbonylContact O-C 3.56Å; P70-T72 VanDerWaalsContact C-N 3.34Å; P70-T72 VanDerWaalsContact C-OG1 3.31Å; P70-T72 WeakPolarHBondContact CG-OG1 3.24Å; P70-T72 WeakPolarHBondContact O-CB 3.14Å; P70-T72 PolarHBondContact O-N 2.82Å; P70-T72 PolarHBondContact O-OG1 2.95Å
71S72.8Confident81.8Confident92 Ų9247.7 Ų47.764%0.64326%0.264SS*.THydrogen-bonded Turntrans-63.292.7175.3-1690000110.8R67 S68R67-S71 VanDerWaalsContact O-CA 3.23Å; R67-S71 WeakPolarHBondContact O-CA 3.37Å; S68-S71 PolarHBondContact O-N 3.02Å
72T78.9Confident81.9Confident12 Ų1251.7 Ų51.77%0.07428%0.282CS..EExtended strand (participates in β ladder)trans-121.8115.6-162.5-55.90000109.8Y66 R67 P70 V74 M88Y66-T72 CarbonylContact C-O 3.57Å; Y66-T72 WeakPolarHBondContact CA-O 3.31Å; Y66-T72 WeakPolarHBondContact CB-O 3.01Å; R67-T72 PolarHBondContact N-O 2.82Å; R67-T72 PolarHBondContact O-N 3.16Å; P70-T72 VanDerWaalsContact C-N 3.34Å; P70-T72 VanDerWaalsContact C-OG1 3.31Å; P70-T72 WeakPolarHBondContact CG-OG1 3.24Å; P70-T72 WeakPolarHBondContact O-CB 3.14Å; P70-T72 PolarHBondContact O-N 2.82Å; P70-T72 PolarHBondContact O-OG1 2.95Å; T72-V74 PolarHBondContact O-N 3.45Å; T72-V74 VanDerWaalsContact O-N 3.16Å; T72-M88 HydrophobicContact CG2-CB 3.97Å; T72-M88 HydrophobicContact CG2-CE 3.38Å; T72-M88 HydrophobicContact CG2-CG 3.43Å; T72-M88 VanDerWaalsContact CG2-CG 3.43Å; T72-M88 HydrophobicContact CG2-SD 4Å
73P81.8Confident81.6Confident50 Ų5051.8 Ų51.833%0.32528%0.284SS..EExtended strand (participates in β ladder)trans-67.8112.7177.127.7-33.2000110.5M86 M88P73-M86 VanDerWaalsContact CB-O 3.23Å; P73-M86 WeakPolarHBondContact CB-O 3.3Å; P73-M86 WeakPolarHBondContact CG-O 3.42Å; P73-M88 PolarHBondContact O-N 2.68Å
74V83.3Confident80.9Confident0 Ų055 Ų550%030%0.304CS..EExtended strand (participates in β ladder)trans-85.9-40.4179.5178.90000110.5W65 R67 T72 Q87 Y91 V95 L109 Y122W65-V74 HydrophobicContact CB-CB 4.33Å; W65-V74 PolarHBondContact O-N 2.94Å; R67-V74 HydrophobicContact CG-CG2 3.76Å; T72-V74 PolarHBondContact O-N 3.45Å; T72-V74 VanDerWaalsContact O-N 3.16Å; V74-Q87 WeakPolarHBondContact O-CG 3.49Å; V74-Q87 PolarHBondContact O-NE2 2.97Å; V74-Y91 HydrophobicContact CG1-CD1 3.93Å; V74-Y91 HydrophobicContact CG1-CD2 4.31Å; V74-Y91 HydrophobicContact CG1-CE1 4.3Å; V74-Y91 HydrophobicContact CG1-CG 3.95Å; V74-Y91 HydrophobicContact CG2-CD2 4.25Å; V74-Y91 HydrophobicContact CG2-CE2 4.08Å; V74-V95 HydrophobicContact CG1-CG1 4.08Å; V74-L109 HydrophobicContact CG1-CD2 3.9Å; V74-Y122 HydrophobicContact CG2-CD1 4.33Å; V74-Y122 HydrophobicContact CG2-CE1 4.07Å
75F87.3Confident79.9Confident0 Ų059.1 Ų59.10%033%0.327CS..EExtended strand (participates in β ladder)trans-158.8144.1-178.5-175.1-100.6000111.8R64 W65 H77 E82 V95 W97 L109R64-F75 WeakPolarHBondContact CA-O 3.15Å; W65-F75 HydrophobicContact CB-CB 4.27Å; W65-F75 PolarHBondContact N-O 2.91Å; W65-F75 PolarHBondContact O-N 2.78Å; F75-H77 HydrophobicContact CE1-CB 3.73Å; F75-H77 HydrophobicContact CZ-CB 4.33Å; F75-E82 HydrophobicContact CD2-CG 4.4Å; F75-E82 HydrophobicContact CE2-CB 4.35Å; F75-E82 VanDerWaalsContact CE2-CD 3.47Å; F75-E82 HydrophobicContact CE2-CG 3.57Å; F75-E82 HydrophobicContact CZ-CB 4.36Å; F75-E82 HydrophobicContact CZ-CG 4.03Å; F75-V95 HydrophobicContact CB-CG2 4.45Å; F75-V95 HydrophobicContact CD2-CG2 3.73Å; F75-V95 HydrophobicContact CE2-CG2 4.49Å; F75-V95 HydrophobicContact CG-CG2 4.48Å; F75-W97 AromaticContact CD1-CE3 4Å; F75-W97 HydrophobicContact CD1-CE3 4Å; F75-W97 HydrophobicContact CD1-CZ3 4.4Å; F75-W97 HydrophobicContact CE1-CB 4.01Å; F75-W97 AromaticContact CE1-CD2 3.85Å; F75-W97 HydrophobicContact CE1-CD2 3.85Å; F75-W97 AromaticContact CE1-CE3 3.36Å; F75-W97 HydrophobicContact CE1-CE3 3.36Å; F75-W97 HydrophobicContact CE1-CG 4.15Å; F75-W97 AromaticContact CE1-CZ3 4Å; F75-W97 HydrophobicContact CE1-CZ3 4Å; F75-W97 HydrophobicContact CE2-CB 4.32Å; F75-W97 HydrophobicContact CZ-CB 3.58Å; F75-W97 HydrophobicContact CZ-CD2 4.28Å; F75-W97 HydrophobicContact CZ-CE3 4.16Å; F75-W97 HydrophobicContact CZ-CG 4.08Å; F75-L109 HydrophobicContact CB-CD1 3.67Å; F75-L109 HydrophobicContact CB-CD2 3.79Å; F75-L109 HydrophobicContact CB-CG 4.4Å; F75-L109 HydrophobicContact CD1-CD1 3.73Å; F75-L109 HydrophobicContact CD2-CD1 3.93Å; F75-L109 HydrophobicContact CE1-CD1 4.32Å; F75-L109 HydrophobicContact CG-CD1 3.5Å; F75-L109 VanDerWaalsContact CG-CD1 3.5Å
76V86.9Confident78.8Confident4 Ų463.4 Ų63.42%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-136.4126.1176-178.10000110V63 R64 V83 M86V63-V76 WeakPolarHBondContact O-CA 2.94Å; R64-V76 HydrophobicContact CG-CG1 4.21Å; R64-V76 HydrophobicContact CG-CG2 4.23Å; V76-V83 HydrophobicContact CB-CB 4.18Å; V76-V83 HydrophobicContact CG1-CB 4.05Å; V76-V83 HydrophobicContact CG1-CG2 4.26Å; V76-V83 PolarHBondContact O-N 3.24Å; V76-M86 HydrophobicContact CG2-CB 4.15Å
77H85.3Confident78.1Confident16 Ų1661.6 Ų61.67%0.07434%0.341CS..EExtended strand (participates in β ladder)trans-118.3124.1171.9-175.483.5000109.9E62 V63 F75 G80 V81E62-H77 CarbonylContact C-O 3.53Å; E62-H77 VanDerWaalsContact CA-O 3.3Å; E62-H77 WeakPolarHBondContact CA-O 3.49Å; V63-H77 PolarHBondContact N-O 3.41Å; V63-H77 PolarHBondContact O-N 3.32Å; F75-H77 HydrophobicContact CE1-CB 3.73Å; F75-H77 HydrophobicContact CZ-CB 4.33Å; H77-G80 WeakPolarHBondContact NE2-CA 3.3Å; H77-V81 PolarHBondContact ND1-O 2.99Å
78R83.8Confident77.1Confident71 Ų7163.1 Ų63.127%0.26835%0.351SS..EExtended strand (participates in β ladder)trans-137.7131.4-179.3-175-173.9-67.3142.59.4109E62 G80 V81 V83E62-R78 HydrophobicContact CB-CB 4.43Å; E62-R78 HydrophobicContact CB-CG 4.28Å; E62-R78 VanDerWaalsContact CD-NH2 3.3Å; E62-R78 HydrophobicContact CG-CB 4.24Å; E62-R78 HydrophobicContact CG-CG 4.42Å; E62-R78 IonicContact OE1-CZ 3.16Å; E62-R78 IonicContact OE1-NE 3.3Å; E62-R78 IonicContact OE1-NH2 4Å; E62-R78 PolarHBondContact OE1-NH2 2.96Å; E62-R78 IonicContact OE2-CZ 2.75Å; E62-R78 IonicContact OE2-NE 2.82Å; E62-R78 PolarHBondContact OE2-NE 2.86Å; E62-R78 IonicContact OE2-NH2 3.9Å; E62-R78 PolarHBondContact OE2-NH2 2Å; R78-G80 VanDerWaalsContact C-N 3.26Å; R78-G80 PolarHBondContact O-N 3.45Å; R78-V81 PolarHBondContact N-O 3.16Å; R78-V81 WeakPolarHBondContact O-CG2 3.28Å; R78-V81 PolarHBondContact O-N 2.81Å; R78-V81 VanDerWaalsContact O-O 3.06Å; R78-V83 HydrophobicContact CB-CG2 3.81Å
79D75.3Confident76.6Confident111 Ų11168.9 Ų68.959%0.59437%0.374SS*.THydrogen-bonded Turntrans53.537.2174.6-59.6-43000115V81D79-V81 VanDerWaalsContact C-N 3.3Å; D79-V81 PolarHBondContact O-N 2.84Å
80G71.3Confident76.5Confident47 Ų4767.5 Ų67.549%0.48537%0.367SS..THydrogen-bonded Turntrans80.95.3178.500000114.7H77 R78H77-G80 WeakPolarHBondContact NE2-CA 3.3Å; R78-G80 VanDerWaalsContact C-N 3.26Å; R78-G80 PolarHBondContact O-N 3.45Å
81V78.8Confident76.7Confident92 Ų9263.2 Ų63.256%0.55834%0.338SS*.EExtended strand (participates in β ladder)trans-127.7148.8178.1-64.50000112.2H77 R78 D79H77-V81 PolarHBondContact ND1-O 2.99Å; R78-V81 PolarHBondContact N-O 3.16Å; R78-V81 WeakPolarHBondContact O-CG2 3.28Å; R78-V81 PolarHBondContact O-N 2.81Å; R78-V81 VanDerWaalsContact O-O 3.06Å; D79-V81 VanDerWaalsContact C-N 3.3Å; D79-V81 PolarHBondContact O-N 2.84Å
82E82.1Confident76.6Confident90 Ų9064.1 Ų64.142%0.42133%0.327SS..EExtended strand (participates in β ladder)trans-73.6133.8170.8179.6177.6170.200110.6F75 T84F75-E82 HydrophobicContact CD2-CG 4.4Å; F75-E82 HydrophobicContact CE2-CB 4.35Å; F75-E82 VanDerWaalsContact CE2-CD 3.47Å; F75-E82 HydrophobicContact CE2-CG 3.57Å; F75-E82 HydrophobicContact CZ-CB 4.36Å; F75-E82 HydrophobicContact CZ-CG 4.03Å; E82-T84 HydrophobicContact CG-CG2 4.07Å
83V81.6Confident76.4Confident25 Ų2567.1 Ų67.115%0.15236%0.361CS..  trans-104.987.8179.4-174.70000109.7V76 R78 E85 M86V76-V83 HydrophobicContact CB-CB 4.18Å; V76-V83 HydrophobicContact CG1-CB 4.05Å; V76-V83 HydrophobicContact CG1-CG2 4.26Å; V76-V83 PolarHBondContact O-N 3.24Å; R78-V83 HydrophobicContact CB-CG2 3.81Å; V83-E85 VanDerWaalsContact C-N 3.33Å; V83-E85 PolarHBondContact O-N 2.78Å; V83-M86 HydrophobicContact CG1-CG 4.19Å; V83-M86 HydrophobicContact CG1-SD 4.35Å
84T74.1Confident76.5Confident69 Ų6969.6 Ų69.642%0.42336%0.364SS..G310 helixtrans-71.7-23.2-174.859.80000114E82 M86 Q87 R92E82-T84 HydrophobicContact CG-CG2 4.07Å; T84-M86 PolarHBondContact O-N 3.43Å; T84-Q87 WeakPolarHBondContact O-CB 3.38Å; T84-Q87 PolarHBondContact O-N 2.78Å; T84-Q87 VanDerWaalsContact O-N 3.16Å; T84-R92 PolarHBondContact O-NH2 2.99Å
85E70.8Confident76.6Confident172 Ų17270.3 Ų70.380%0.80437%0.368SS*.G310 helixtrans-61.7-29.6179.5-67.3-177.1175.600113.2V83V83-E85 VanDerWaalsContact C-N 3.33Å; V83-E85 PolarHBondContact O-N 2.78Å
86M66.8Low76.7Confident91 Ų9174.5 Ų74.545%0.44839%0.388SS..G310 helixtrans-94.6-3.5-179.1-64.7-176.5176.500112.9P73 V76 V83 T84P73-M86 VanDerWaalsContact CB-O 3.23Å; P73-M86 WeakPolarHBondContact CB-O 3.3Å; P73-M86 WeakPolarHBondContact CG-O 3.42Å; V76-M86 HydrophobicContact CG2-CB 4.15Å; V83-M86 HydrophobicContact CG1-CG 4.19Å; V83-M86 HydrophobicContact CG1-SD 4.35Å; T84-M86 PolarHBondContact O-N 3.43Å
87Q74Confident76.7Confident9 Ų975.8 Ų75.84%0.04239%0.392CS..SBendtrans-88.5134.5-178.2-174.6178.534.900111.2V74 T84 Y91 R92V74-Q87 WeakPolarHBondContact O-CG 3.49Å; V74-Q87 PolarHBondContact O-NE2 2.97Å; T84-Q87 WeakPolarHBondContact O-CB 3.38Å; T84-Q87 PolarHBondContact O-N 2.78Å; T84-Q87 VanDerWaalsContact O-N 3.16Å; Q87-Y91 PolarHBondContact NE2-O 3.24Å; Q87-R92 HydrophobicContact CG-CG 4.17Å; Q87-R92 PolarHBondContact O-NE 2.75Å
88M69.3Low76.8Confident70 Ų7076.7 Ų76.735%0.34540%0.397SS..  trans-63.5142.1172.3-90.1-106.7-65.800112.6T72 P73 E90 Y91 R92T72-M88 HydrophobicContact CG2-CB 3.97Å; T72-M88 HydrophobicContact CG2-CE 3.38Å; T72-M88 HydrophobicContact CG2-CG 3.43Å; T72-M88 VanDerWaalsContact CG2-CG 3.43Å; T72-M88 HydrophobicContact CG2-SD 4Å; P73-M88 PolarHBondContact O-N 2.68Å; M88-E90 VanDerWaalsContact C-N 3.26Å; M88-E90 PolarHBondContact O-N 2.85Å; M88-Y91 HydrophobicContact CB-CD2 4.46Å; M88-Y91 PolarHBondContact O-N 2.88Å; M88-Y91 VanDerWaalsContact O-N 3.08Å; M88-R92 PolarHBondContact O-N 3.09Å
89E68.1Low76.2Confident157 Ų15779.8 Ų79.873%0.73442%0.415SS*.G310 helixtrans-60.8-35.1-171.6-163.2138-150.500112.6Y91 R92E89-Y91 PolarHBondContact O-N 3.37Å; E89-R92 PolarHBondContact O-N 2.88Å
90E70.8Confident75.9Confident139 Ų13981 Ų8165%0.6542%0.421SS*.G310 helixtrans-60.8-27.5177-65.2167.6-15600113.9M88M88-E90 VanDerWaalsContact C-N 3.26Å; M88-E90 PolarHBondContact O-N 2.85Å
91Y68.2Low76Confident11 Ų1180 Ų804%0.04341%0.411CS..G310 helixtrans-99.5-5.1-179.4-71.9-71.2000113.4R67 V74 Q87 M88 E89 G93 W94 V95 D118R67-Y91 VanDerWaalsContact CD-OH 3.3Å; R67-Y91 WeakPolarHBondContact CD-OH 3.35Å; R67-Y91 PolarHBondContact NH1-OH 3.36Å; V74-Y91 HydrophobicContact CG1-CD1 3.93Å; V74-Y91 HydrophobicContact CG1-CD2 4.31Å; V74-Y91 HydrophobicContact CG1-CE1 4.3Å; V74-Y91 HydrophobicContact CG1-CG 3.95Å; V74-Y91 HydrophobicContact CG2-CD2 4.25Å; V74-Y91 HydrophobicContact CG2-CE2 4.08Å; Q87-Y91 PolarHBondContact NE2-O 3.24Å; M88-Y91 HydrophobicContact CB-CD2 4.46Å; M88-Y91 PolarHBondContact O-N 2.88Å; M88-Y91 VanDerWaalsContact O-N 3.08Å; E89-Y91 PolarHBondContact O-N 3.37Å; Y91-G93 PolarHBondContact O-N 3.36Å; Y91-W94 PolarHBondContact O-N 3.03Å; Y91-W94 VanDerWaalsContact O-N 3.11Å; Y91-V95 HydrophobicContact CD1-CG1 4.14Å; Y91-D118 WeakPolarHBondContact CE1-OD1 3.32Å; Y91-D118 PolarHBondContact OH-OD1 2.8Å
92R71.3Confident75.9Confident110 Ų11076.8 Ų76.842%0.41539%0.39SS..THydrogen-bonded Turntrans-67.4117.4-178.5-74.6-175.5177.3-162.9-1.5110.8T84 Q87 M88 E89 W94T84-R92 PolarHBondContact O-NH2 2.99Å; Q87-R92 HydrophobicContact CG-CG 4.17Å; Q87-R92 PolarHBondContact O-NE 2.75Å; M88-R92 PolarHBondContact O-N 3.09Å; E89-R92 PolarHBondContact O-N 2.88Å; R92-W94 VanDerWaalsContact C-N 3.25Å; R92-W94 PolarHBondContact O-N 3.11Å
93G72.8Confident75.7Confident75 Ų7576 Ų7677%0.77340%0.399SS*.THydrogen-bonded Turntrans79.72.3-177.200000114.7Y91Y91-G93 PolarHBondContact O-N 3.36Å
94W83.8Confident75.7Confident103 Ų10381.1 Ų81.139%0.3942%0.42SS..THydrogen-bonded Turntrans-101-8.3175.7-7057.3000112.3Y91 R92 H112 N113 Q115Y91-W94 PolarHBondContact O-N 3.03Å; Y91-W94 VanDerWaalsContact O-N 3.11Å; R92-W94 VanDerWaalsContact C-N 3.25Å; R92-W94 PolarHBondContact O-N 3.11Å; W94-H112 WeakPolarHBondContact O-CB 3.17Å; W94-H112 PolarHBondContact O-CD2 3.37Å; W94-H112 PolarHBondContact O-N 2.69Å; W94-N113 HydrophobicContact CE3-CB 4.44Å; W94-N113 HydrophobicContact CZ3-CB 4.22Å; W94-N113 WeakPolarHBondContact CZ3-ND2 3.41Å; W94-Q115 HydrophobicContact CZ3-CG 4.16Å
95V87.1Confident76.1Confident15 Ų1577.9 Ų77.99%0.09140%0.399CS..EExtended strand (participates in β ladder)trans-120.4143.3-179.1-56.60000111.2V74 F75 Y91 L109 K110 I111V74-V95 HydrophobicContact CG1-CG1 4.08Å; F75-V95 HydrophobicContact CB-CG2 4.45Å; F75-V95 HydrophobicContact CD2-CG2 3.73Å; F75-V95 HydrophobicContact CE2-CG2 4.49Å; F75-V95 HydrophobicContact CG-CG2 4.48Å; Y91-V95 HydrophobicContact CD1-CG1 4.14Å; V95-L109 HydrophobicContact CB-CD1 4Å; V95-L109 HydrophobicContact CB-CG 4.42Å; V95-L109 HydrophobicContact CG2-CD1 4.33Å; V95-K110 CarbonylContact C-O 3.5Å; V95-K110 WeakPolarHBondContact CA-O 3.46Å; V95-I111 HydrophobicContact CG1-CG1 4.09Å; V95-I111 HydrophobicContact CG1-CG2 4.38Å
96E88.9Confident77Confident87 Ų8772.2 Ų72.241%0.40738%0.375SS..EExtended strand (participates in β ladder)trans-125.3127179178.5-170.2-178.400109I98 K110 H112E96-I98 HydrophobicContact CG-CD1 3.9Å; E96-K110 HydrophobicContact CB-CB 4.19Å; E96-K110 PolarHBondContact N-O 2.84Å; E96-K110 PolarHBondContact O-N 2.93Å; E96-K110 WeakPolarHBondContact OE2-CD 3.47Å; E96-K110 IonicContact OE2-NZ 3.46Å; E96-H112 IonicContact OE2-CE1 3.58Å; E96-H112 IonicContact OE2-NE2 3.54Å
97W87.3Confident78.1Confident31 Ų3168 Ų6812%0.11735%0.354CS..EExtended strand (participates in β ladder)trans-81.8124.1173.5176.4-106.1000110.9V63 W65 F75 I102 V107V63-W97 HydrophobicContact CB-CH2 4.06Å; V63-W97 HydrophobicContact CB-CZ3 4.47Å; V63-W97 HydrophobicContact CG1-CH2 4.05Å; V63-W97 HydrophobicContact CG1-CZ3 4.17Å; V63-W97 HydrophobicContact CG2-CH2 4.2Å; W65-W97 AromaticContact NE1-CZ3 3.94Å; F75-W97 AromaticContact CD1-CE3 4Å; F75-W97 HydrophobicContact CD1-CE3 4Å; F75-W97 HydrophobicContact CD1-CZ3 4.4Å; F75-W97 HydrophobicContact CE1-CB 4.01Å; F75-W97 AromaticContact CE1-CD2 3.85Å; F75-W97 HydrophobicContact CE1-CD2 3.85Å; F75-W97 AromaticContact CE1-CE3 3.36Å; F75-W97 HydrophobicContact CE1-CE3 3.36Å; F75-W97 HydrophobicContact CE1-CG 4.15Å; F75-W97 AromaticContact CE1-CZ3 4Å; F75-W97 HydrophobicContact CE1-CZ3 4Å; F75-W97 HydrophobicContact CE2-CB 4.32Å; F75-W97 HydrophobicContact CZ-CB 3.58Å; F75-W97 HydrophobicContact CZ-CD2 4.28Å; F75-W97 HydrophobicContact CZ-CE3 4.16Å; F75-W97 HydrophobicContact CZ-CG 4.08Å; W97-I102 HydrophobicContact CZ2-CD1 4.41Å; W97-V107 HydrophobicContact CH2-CB 3.45Å; W97-V107 VanDerWaalsContact CH2-CB 3.45Å; W97-V107 HydrophobicContact CH2-CG1 3.51Å; W97-V107 HydrophobicContact CH2-CG2 4.38Å; W97-V107 HydrophobicContact CZ2-CB 4.17Å; W97-V107 HydrophobicContact CZ2-CG1 3.95Å; W97-V107 HydrophobicContact CZ3-CB 3.97Å; W97-V107 HydrophobicContact CZ3-CG1 4.49Å
98I86.8Confident79Confident35 Ų3568.2 Ų68.218%0.17936%0.357CS..EExtended strand (participates in β ladder)trans-99.3110.2-178.4-52.7-60000109.8L47 E96 N100 A108 K110L47-I98 HydrophobicContact CD1-CG1 3.95Å; E96-I98 HydrophobicContact CG-CD1 3.9Å; I98-N100 HydrophobicContact CG2-CB 4.03Å; I98-N100 PolarHBondContact O-N 3.01Å; I98-N100 VanDerWaalsContact O-N 3.09Å; I98-A108 HydrophobicContact CB-CB 4.09Å; I98-A108 PolarHBondContact N-O 2.8Å; I98-K110 HydrophobicContact CD1-CB 4.19Å; I98-K110 HydrophobicContact CD1-CD 4.43Å; I98-K110 HydrophobicContact CG1-CB 4.11Å
99E70.7Confident80Confident136 Ų13664.9 Ų64.964%0.63634%0.341SS*.  trans-75.76.3-175.2-63.5-172.8163.700115G101 I102E99-G101 PolarHBondContact O-N 2.85Å; E99-G101 VanDerWaalsContact O-N 3.09Å; E99-I102 HydrophobicContact CB-CD1 3.89Å; E99-I102 HydrophobicContact CG-CD1 4.06Å
100N69.2Low81.2Confident138 Ų13859.8 Ų59.874%0.73832%0.316SS*.THydrogen-bonded Turntrans-76.7101.6-175.7-74.1-29.2000112.1I98I98-N100 HydrophobicContact CG2-CB 4.03Å; I98-N100 PolarHBondContact O-N 3.01Å; I98-N100 VanDerWaalsContact O-N 3.09Å
101G74.3Confident82.3Confident26 Ų2653.1 Ų53.127%0.26829%0.285SS..THydrogen-bonded Turntrans104.413.9170.100000115.7E99 A103 K104 G105 N106E99-G101 PolarHBondContact O-N 2.85Å; E99-G101 VanDerWaalsContact O-N 3.09Å; G101-A103 PolarHBondContact O-N 3.11Å; G101-K104 CarbonylContact O-C 3.56Å; G101-K104 WeakPolarHBondContact O-CA 3.36Å; G101-K104 PolarHBondContact O-N 3.11Å; G101-G105 PolarHBondContact O-N 3.36Å; G101-N106 CarbonylContact C-O 3.56Å; G101-N106 PolarHBondContact O-N 3.31Å
102I77.2Confident83.4Confident23 Ų2355 Ų5512%0.11829%0.294CS..G310 helixtrans-50.1-40.6172.2-68.5175.8000111.7T57 T58 M59 W97 E99 K104 G105 N106T57-I102 WeakPolarHBondContact CA-O 3.16Å; T58-I102 PolarHBondContact N-O 3.28Å; T58-I102 VanDerWaalsContact N-O 3.14Å; T58-I102 WeakPolarHBondContact OG1-CG2 3.28Å; T58-I102 PolarHBondContact OG1-O 3.19Å; M59-I102 HydrophobicContact CG-CG2 4.04Å; W97-I102 HydrophobicContact CZ2-CD1 4.41Å; E99-I102 HydrophobicContact CB-CD1 3.89Å; E99-I102 HydrophobicContact CG-CD1 4.06Å; I102-K104 PolarHBondContact O-N 2.8Å; I102-K104 VanDerWaalsContact O-N 3.09Å; I102-G105 PolarHBondContact O-N 3.19Å; I102-N106 PolarHBondContact N-O 2.8Å
103A76.8Confident84.4Confident74 Ų7453.2 Ų53.261%0.61229%0.293SS*.G310 helixtrans-62-18.3177.700000114.1G101G101-A103 PolarHBondContact O-N 3.11Å
104K81.9Confident85.3Confident133 Ų13349.7 Ų49.758%0.57826%0.256SS*.G310 helixtrans-112.27.2178.2-65179.6-179.7173.60112.7K55 R56 G101 I102K55-K104 WeakPolarHBondContact CB-O 3.37Å; R56-K104 CarbonylContact O-C 3.55Å; G101-K104 CarbonylContact O-C 3.56Å; G101-K104 WeakPolarHBondContact O-CA 3.36Å; G101-K104 PolarHBondContact O-N 3.11Å; I102-K104 PolarHBondContact O-N 2.8Å; I102-K104 VanDerWaalsContact O-N 3.09Å
105G82.8Confident85.7Confident0 Ų047 Ų470%025%0.248CC..THydrogen-bonded Turntrans77.620.1179.300000114Q51 L52 R56 G101 I102Q51-G105 WeakPolarHBondContact CA-O 3.48Å; L52-G105 PolarHBondContact N-O 2.89Å; R56-G105 WeakPolarHBondContact O-CA 3.46Å; R56-G105 PolarHBondContact O-N 2.72Å; G101-G105 PolarHBondContact O-N 3.36Å; I102-G105 PolarHBondContact O-N 3.19Å
106N88.8Confident86Confident54 Ų5446.7 Ų46.729%0.28925%0.246SC..EExtended strand (participates in β ladder)trans-91.2131.8172.5-64.6-11.2000109.2Q51 G101 I102Q51-N106 VanDerWaalsContact CD-OD1 3.25Å; Q51-N106 WeakPolarHBondContact CG-OD1 2.99Å; Q51-N106 PolarHBondContact NE2-OD1 3.01Å; G101-N106 CarbonylContact C-O 3.56Å; G101-N106 PolarHBondContact O-N 3.31Å; I102-N106 PolarHBondContact N-O 2.8Å
107V90Very high86Confident3 Ų346.3 Ų46.32%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-130.8143.4174.4-57.90000109.1T49 C50 V63 W65 W97 F126T49-V107 WeakPolarHBondContact CA-O 3.33Å; C50-V107 HydrophobicContact CB-CG2 4.29Å; C50-V107 PolarHBondContact N-O 2.79Å; C50-V107 PolarHBondContact O-N 3.36Å; V63-V107 HydrophobicContact CG1-CG2 4.13Å; V63-V107 HydrophobicContact CG2-CG1 4.26Å; W65-V107 HydrophobicContact CZ2-CG2 4.17Å; W97-V107 HydrophobicContact CH2-CB 3.45Å; W97-V107 VanDerWaalsContact CH2-CB 3.45Å; W97-V107 HydrophobicContact CH2-CG1 3.51Å; W97-V107 HydrophobicContact CH2-CG2 4.38Å; W97-V107 HydrophobicContact CZ2-CB 4.17Å; W97-V107 HydrophobicContact CZ2-CG1 3.95Å; W97-V107 HydrophobicContact CZ3-CB 3.97Å; W97-V107 HydrophobicContact CZ3-CG1 4.49Å; V107-F126 HydrophobicContact CB-CZ 4.19Å; V107-F126 HydrophobicContact CG1-CE1 3.93Å; V107-F126 HydrophobicContact CG1-CZ 3.76Å; V107-F126 HydrophobicContact CG2-CE1 4.31Å; V107-F126 HydrophobicContact CG2-CE2 3.85Å; V107-F126 HydrophobicContact CG2-CZ 3.35Å
108A92.2Very high86.2Confident12 Ų1245.1 Ų45.110%0.09925%0.249CC..EExtended strand (participates in β ladder)trans-140134.9175.700000110.6L47 L48 T49 I98L47-A108 HydrophobicContact CD1-CB 3.87Å; L47-A108 HydrophobicContact CG-CB 4.24Å; L48-A108 CarbonylContact O-C 3.56Å; L48-A108 WeakPolarHBondContact O-CA 3.23Å; T49-A108 HydrophobicContact CG2-CB 3.86Å; I98-A108 HydrophobicContact CB-CB 4.09Å; I98-A108 PolarHBondContact N-O 2.8Å
109L91.9Very high86.5Confident0 Ų046.6 Ų46.60%026%0.258CS..EExtended strand (participates in β ladder)trans-109.6120.1172.5-174.371.2000107.8L48 W65 V74 F75 V95 I111L48-L109 HydrophobicContact CB-CB 4.5Å; L48-L109 PolarHBondContact N-O 2.99Å; L48-L109 PolarHBondContact O-N 3.43Å; W65-L109 HydrophobicContact CB-CD2 3.77Å; W65-L109 HydrophobicContact CD2-CB 4.05Å; W65-L109 HydrophobicContact CD2-CD2 4.08Å; W65-L109 HydrophobicContact CG-CB 4.24Å; W65-L109 HydrophobicContact CG-CD2 3.65Å; W65-L109 HydrophobicContact CZ2-CB 4.16Å; V74-L109 HydrophobicContact CG1-CD2 3.9Å; F75-L109 HydrophobicContact CB-CD1 3.67Å; F75-L109 HydrophobicContact CB-CD2 3.79Å; F75-L109 HydrophobicContact CB-CG 4.4Å; F75-L109 HydrophobicContact CD1-CD1 3.73Å; F75-L109 HydrophobicContact CD2-CD1 3.93Å; F75-L109 HydrophobicContact CE1-CD1 4.32Å; F75-L109 HydrophobicContact CG-CD1 3.5Å; F75-L109 VanDerWaalsContact CG-CD1 3.5Å; V95-L109 HydrophobicContact CB-CD1 4Å; V95-L109 HydrophobicContact CB-CG 4.42Å; V95-L109 HydrophobicContact CG2-CD1 4.33Å; L109-I111 HydrophobicContact CD2-CG1 4.46Å
110K93.4Very high87.5Confident50 Ų5040.9 Ų40.922%0.21724%0.235CC..EExtended strand (participates in β ladder)trans-92.3130.4171.8-173.2-178.8179.3-168.10108.5D45 A46 L47 V95 E96 I98 H112D45-K110 HydrophobicContact CB-CG 4.36Å; D45-K110 WeakPolarHBondContact OD2-CE 3.21Å; D45-K110 IonicContact OD2-NZ 3.77Å; D45-K110 PolarHBondContact OD2-NZ 3.35Å; A46-K110 CarbonylContact O-C 3.52Å; A46-K110 VanDerWaalsContact O-CA 3.3Å; A46-K110 WeakPolarHBondContact O-CA 3.41Å; L47-K110 HydrophobicContact CD1-CB 3.93Å; L47-K110 HydrophobicContact CD1-CG 4.47Å; V95-K110 CarbonylContact C-O 3.5Å; V95-K110 WeakPolarHBondContact CA-O 3.46Å; E96-K110 HydrophobicContact CB-CB 4.19Å; E96-K110 PolarHBondContact N-O 2.84Å; E96-K110 PolarHBondContact O-N 2.93Å; E96-K110 WeakPolarHBondContact OE2-CD 3.47Å; E96-K110 IonicContact OE2-NZ 3.46Å; I98-K110 HydrophobicContact CD1-CB 4.19Å; I98-K110 HydrophobicContact CD1-CD 4.43Å; I98-K110 HydrophobicContact CG1-CB 4.11Å; K110-H112 VanDerWaalsContact CE-CE1 3.48Å; K110-H112 WeakPolarHBondContact CE-CE1 3.47Å; K110-H112 PolarHBondContact NZ-CE1 3.48Å
111I92.4Very high88.7Confident0 Ų038.2 Ų38.20%022%0.218CC..EExtended strand (participates in β ladder)trans-110.3124173.3-53.3-179.8000106.7D45 A46 L48 V95 L109 I114 Y122D45-I111 CarbonylContact C-O 3.5Å; D45-I111 VanDerWaalsContact CA-O 3.26Å; D45-I111 WeakPolarHBondContact CA-O 3.31Å; A46-I111 PolarHBondContact N-O 2.92Å; A46-I111 PolarHBondContact O-N 3.22Å; L48-I111 HydrophobicContact CD1-CD1 3.62Å; L48-I111 HydrophobicContact CD1-CG1 4.37Å; L48-I111 HydrophobicContact CG-CD1 4.23Å; V95-I111 HydrophobicContact CG1-CG1 4.09Å; V95-I111 HydrophobicContact CG1-CG2 4.38Å; L109-I111 HydrophobicContact CD2-CG1 4.46Å; I111-I114 HydrophobicContact CB-CD1 3.88Å; I111-I114 HydrophobicContact CG2-CD1 3.68Å; I111-Y122 HydrophobicContact CD1-CE1 3.93Å
112H92.5Very high89.6Confident51 Ų5137 Ų3724%0.23621%0.205CC..  trans-88.2151-179.2-65.8-71.7000112.1D45 W94 E96 K110 I114D45-H112 VanDerWaalsContact CG-ND1 3.33Å; D45-H112 VanDerWaalsContact OD1-CA 3.25Å; D45-H112 WeakPolarHBondContact OD1-CA 3.41Å; D45-H112 IonicContact OD1-CG 3.07Å; D45-H112 IonicContact OD1-ND1 3.32Å; D45-H112 PolarHBondContact OD1-ND1 3.22Å; D45-H112 IonicContact OD2-CE1 3.15Å; D45-H112 IonicContact OD2-ND1 2.68Å; D45-H112 PolarHBondContact OD2-ND1 2.81Å; W94-H112 WeakPolarHBondContact O-CB 3.17Å; W94-H112 PolarHBondContact O-CD2 3.37Å; W94-H112 PolarHBondContact O-N 2.69Å; E96-H112 IonicContact OE2-CE1 3.58Å; E96-H112 IonicContact OE2-NE2 3.54Å; K110-H112 VanDerWaalsContact CE-CE1 3.48Å; K110-H112 WeakPolarHBondContact CE-CE1 3.47Å; K110-H112 PolarHBondContact NZ-CE1 3.48Å; H112-I114 PolarHBondContact O-N 2.96Å
113N91Very high90.3Very high72 Ų7238.7 Ų38.739%0.38521%0.21SC..SBendtrans50.956.4169.8-174.247.1000113G43 E44 D45 W94 Q115G43-N113 WeakPolarHBondContact CA-OD1 3.31Å; E44-N113 WeakPolarHBondContact O-CA 3.45Å; E44-N113 PolarHBondContact O-N 3.46Å; E44-N113 VanDerWaalsContact O-N 3.17Å; D45-N113 PolarHBondContact OD1-N 3.23Å; W94-N113 HydrophobicContact CE3-CB 4.44Å; W94-N113 HydrophobicContact CZ3-CB 4.22Å; W94-N113 WeakPolarHBondContact CZ3-ND2 3.41Å; N113-Q115 PolarHBondContact ND2-NE2 2.93Å; N113-Q115 PolarHBondContact O-N 2.96Å; N113-Q115 PolarHBondContact O-NE2 2.88Å
114I93.1Very high91.1Very high0 Ų035.2 Ų35.20%018%0.181CC..  trans-51.7130.7-175.5-71.6-63.2000111.9A40 V42 G43 E44 A46 I111 H112 D118 L139 V141A40-I114 HydrophobicContact CB-CG1 4.16Å; A40-I114 HydrophobicContact CB-CG2 4.36Å; V42-I114 CarbonylContact C-O 3.55Å; V42-I114 WeakPolarHBondContact CA-O 3.24Å; G43-I114 PolarHBondContact N-O 2.75Å; E44-I114 WeakPolarHBondContact O-CB 3.42Å; E44-I114 WeakPolarHBondContact O-CG1 3.47Å; E44-I114 PolarHBondContact O-N 3.33Å; A46-I114 HydrophobicContact CB-CD1 3.65Å; A46-I114 HydrophobicContact CB-CG1 3.8Å; I111-I114 HydrophobicContact CB-CD1 3.88Å; I111-I114 HydrophobicContact CG2-CD1 3.68Å; H112-I114 PolarHBondContact O-N 2.96Å; I114-D118 HydrophobicContact CD1-CB 4.33Å; I114-D118 HydrophobicContact CG2-CB 4.46Å; I114-L139 HydrophobicContact CD1-CD2 4.09Å; I114-V141 HydrophobicContact CG2-CB 4.19Å; I114-V141 HydrophobicContact CG2-CG1 3.6Å; I114-V141 HydrophobicContact CG2-CG2 3.51Å
115Q91.8Very high91.5Very high47 Ų4729.8 Ų29.822%0.2216%0.158CC..  trans-104.4158.5176.8-61.4-54.7-4600111.5W94 N113 S117 D118W94-Q115 HydrophobicContact CZ3-CG 4.16Å; N113-Q115 PolarHBondContact ND2-NE2 2.93Å; N113-Q115 PolarHBondContact O-N 2.96Å; N113-Q115 PolarHBondContact O-NE2 2.88Å; Q115-S117 PolarHBondContact O-N 2.93Å; Q115-S117 VanDerWaalsContact O-N 3.15Å; Q115-D118 PolarHBondContact N-OD2 2.79Å; Q115-D118 WeakPolarHBondContact O-CB 3.28Å; Q115-D118 PolarHBondContact O-N 2.79Å
116P93.2Very high91.9Very high9 Ų929.8 Ų29.86%0.05816%0.158CC..G310 helixtrans-50.2-37171.5-33.541.7000113.7V42 D118 N119 F170 D197 L199V42-P116 HydrophobicContact CG2-CG 4.22Å; P116-D118 PolarHBondContact O-N 2.99Å; P116-N119 VanDerWaalsContact O-CB 3.31Å; P116-N119 WeakPolarHBondContact O-CB 2.95Å; P116-N119 PolarHBondContact O-N 2.95Å; P116-F170 HydrophobicContact CB-CD1 4.31Å; P116-F170 HydrophobicContact CB-CD2 3.7Å; P116-F170 HydrophobicContact CB-CE1 4.2Å; P116-F170 HydrophobicContact CB-CE2 3.58Å; P116-F170 HydrophobicContact CB-CG 4.07Å; P116-F170 HydrophobicContact CB-CZ 3.83Å; P116-F170 HydrophobicContact CG-CD2 4.17Å; P116-F170 HydrophobicContact CG-CG 4.24Å; P116-D197 VanDerWaalsContact CG-O 3.3Å; P116-D197 WeakPolarHBondContact CG-O 3.39Å; P116-L199 HydrophobicContact CG-CD2 3.7Å; P116-L199 HydrophobicContact CG-CG 4.2Å
117S89.8Confident91.8Very high78 Ų7829.6 Ų29.655%0.54516%0.155SC..G310 helixtrans-66.7-19.9178.6620000113.7R67 Q115 N119R67-S117 PolarHBondContact NH1-O 2.97Å; R67-S117 PolarHBondContact NH2-O 2.95Å; Q115-S117 PolarHBondContact O-N 2.93Å; Q115-S117 VanDerWaalsContact O-N 3.15Å; S117-N119 PolarHBondContact O-N 2.98Å
118D90.2Very high91.6Very high6 Ų632.3 Ų32.33%0.03217%0.17CC..G310 helixtrans-75.6-13.7178.2-68.7-47.7000113Y91 I114 Q115 P116 G120 Y122 L139 V141Y91-D118 WeakPolarHBondContact CE1-OD1 3.32Å; Y91-D118 PolarHBondContact OH-OD1 2.8Å; I114-D118 HydrophobicContact CD1-CB 4.33Å; I114-D118 HydrophobicContact CG2-CB 4.46Å; Q115-D118 PolarHBondContact N-OD2 2.79Å; Q115-D118 WeakPolarHBondContact O-CB 3.28Å; Q115-D118 PolarHBondContact O-N 2.79Å; P116-D118 PolarHBondContact O-N 2.99Å; D118-G120 PolarHBondContact O-N 2.68Å; D118-Y122 VanDerWaalsContact O-CE2 3.25Å; D118-Y122 WeakPolarHBondContact O-CE2 3.22Å; D118-Y122 PolarHBondContact O-OH 3.32Å; D118-L139 HydrophobicContact CB-CD2 4.26Å; D118-V141 HydrophobicContact CB-CG2 4.47Å
119N92.8Very high91.2Very high67 Ų6734.7 Ų34.736%0.35820%0.195SC..  trans-58.2127.1176.2-178.778000111.1R67 P116 S117 L139 K140 V141 F170R67-N119 PolarHBondContact NH2-O 2.96Å; P116-N119 VanDerWaalsContact O-CB 3.31Å; P116-N119 WeakPolarHBondContact O-CB 2.95Å; P116-N119 PolarHBondContact O-N 2.95Å; S117-N119 PolarHBondContact O-N 2.98Å; N119-L139 PolarHBondContact OD1-O 3.39Å; N119-K140 WeakPolarHBondContact OD1-CA 3.16Å; N119-V141 HydrophobicContact CB-CB 4Å; N119-V141 HydrophobicContact CB-CG2 3.88Å; N119-V141 PolarHBondContact OD1-N 3.3Å; N119-V141 VanDerWaalsContact OD1-N 3.09Å; N119-F170 HydrophobicContact CB-CE1 4.21Å; N119-F170 HydrophobicContact CB-CZ 4.38Å
120G92.7Very high90.7Very high16 Ų1642.4 Ų42.417%0.16524%0.237CC..EExtended strand (participates in β ladder)trans147.5-166.317600000114.4D118 Y122 L139D118-G120 PolarHBondContact O-N 2.68Å; G120-Y122 WeakPolarHBondContact O-CD2 3.31Å; G120-L139 PolarHBondContact N-O 3.12Å; G120-L139 PolarHBondContact O-N 2.68Å
121Q93.8Very high90.3Very high81 Ų8145.1 Ų45.138%0.37925%0.246SC..EExtended strand (participates in β ladder)trans-91.6131.6-175.8-169.9173.29.600111.2S68 S136 L137S68-Q121 PolarHBondContact N-O 2.84Å; Q121-S136 PolarHBondContact NE2-OG 2.83Å; Q121-L137 WeakPolarHBondContact CA-O 3.49Å
122Y93.3Very high90Very high0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans-116.2154.9175.4-69-105.7000109.3L48 Y66 R67 V74 I111 D118 G120 S136 L137 L139L48-Y122 HydrophobicContact CD1-CD1 3.7Å; L48-Y122 HydrophobicContact CD1-CD2 4.46Å; L48-Y122 HydrophobicContact CD1-CE1 4.11Å; L48-Y122 HydrophobicContact CD1-CG 3.91Å; Y66-Y122 CarbonylContact O-C 3.55Å; Y66-Y122 WeakPolarHBondContact O-CA 3.46Å; R67-Y122 HydrophobicContact CG-CD1 3.83Å; R67-Y122 HydrophobicContact CG-CE1 3.49Å; R67-Y122 VanDerWaalsContact CG-CE1 3.49Å; R67-Y122 HydrophobicContact CG-CG 4.48Å; V74-Y122 HydrophobicContact CG2-CD1 4.33Å; V74-Y122 HydrophobicContact CG2-CE1 4.07Å; I111-Y122 HydrophobicContact CD1-CE1 3.93Å; D118-Y122 VanDerWaalsContact O-CE2 3.25Å; D118-Y122 WeakPolarHBondContact O-CE2 3.22Å; D118-Y122 PolarHBondContact O-OH 3.32Å; G120-Y122 WeakPolarHBondContact O-CD2 3.31Å; Y122-S136 CarbonylContact O-C 3.59Å; Y122-S136 VanDerWaalsContact O-CA 3.25Å; Y122-S136 WeakPolarHBondContact O-CA 3.29Å; Y122-L137 HydrophobicContact CG-CD1 4.38Å; Y122-L137 PolarHBondContact N-O 2.81Å; Y122-L137 PolarHBondContact O-N 2.88Å; Y122-L139 HydrophobicContact CD2-CB 3.97Å; Y122-L139 HydrophobicContact CE2-CB 3.72Å; Y122-L139 HydrophobicContact CE2-CD2 3.84Å; Y122-L139 HydrophobicContact CE2-CG 4.43Å
123W92.8Very high89.8Confident60 Ų6047.2 Ų47.223%0.22727%0.268CS..EExtended strand (participates in β ladder)trans-121.5138.2174.9-70.386.1000109.9W65 Y66 S68 E134 T135W65-W123 VanDerWaalsContact CA-O 3.3Å; W65-W123 WeakPolarHBondContact CA-O 3.45Å; Y66-W123 HydrophobicContact CD1-CB 4.14Å; Y66-W123 HydrophobicContact CD2-CB 3.82Å; Y66-W123 AromaticContact CD2-CD1 3.99Å; Y66-W123 HydrophobicContact CD2-CG 4.13Å; Y66-W123 HydrophobicContact CE1-CB 3.72Å; Y66-W123 HydrophobicContact CE2-CB 3.37Å; Y66-W123 AromaticContact CE2-CD1 3.54Å; Y66-W123 HydrophobicContact CE2-CD2 4.34Å; Y66-W123 AromaticContact CE2-CG 3.45Å; Y66-W123 HydrophobicContact CE2-CG 3.45Å; Y66-W123 VanDerWaalsContact CE2-CG 3.45Å; Y66-W123 HydrophobicContact CG-CB 4.18Å; Y66-W123 AromaticContact CZ-CG 3.72Å; Y66-W123 PolarHBondContact N-O 2.74Å; Y66-W123 VanDerWaalsContact N-O 3.13Å; Y66-W123 PolarHBondContact O-N 2.83Å; S68-W123 PolarHBondContact OG-NE1 2.85Å; W123-E134 HydrophobicContact CE3-CB 4.21Å; W123-E134 HydrophobicContact CE3-CG 3.93Å; W123-E134 HydrophobicContact CZ3-CG 3.88Å; W123-E134 VanDerWaalsContact CZ3-OE1 3.31Å; W123-E134 WeakPolarHBondContact CZ3-OE1 3.49Å; W123-T135 WeakPolarHBondContact CA-O 3.39Å
124C92.6Very high89.9Confident0 Ų048.1 Ų48.10%027%0.27CS..EExtended strand (participates in β ladder)trans-112115.5167.4-172.60000108.5C50 W65 F126 E134 T135 L137C50-C124 HydrophobicContact CB-CB 3.72Å; C50-C124 VanDerWaalsContact CB-SG 3.52Å; C50-C124 WeakPolarHBondContact SG-CB 3.39Å; W65-C124 HydrophobicContact CD2-CB 4.19Å; W65-C124 HydrophobicContact CE3-CB 3.94Å; W65-C124 HydrophobicContact CH2-CB 3.78Å; W65-C124 HydrophobicContact CZ2-CB 4.03Å; W65-C124 VanDerWaalsContact CZ2-SG 3.53Å; W65-C124 HydrophobicContact CZ3-CB 3.73Å; C124-F126 WeakPolarHBondContact SG-CE2 3.15Å; C124-E134 WeakPolarHBondContact O-CA 2.83Å; C124-T135 HydrophobicContact CB-CG2 4.32Å; C124-T135 PolarHBondContact N-O 2.91Å; C124-T135 PolarHBondContact O-N 3.01Å; C124-L137 HydrophobicContact CB-CD2 4.34Å
125H91.3Very high89.9Confident20 Ų2049.5 Ų49.59%0.09328%0.278CS..EExtended strand (participates in β ladder)trans-113134.3-177172.294.4000110.1V63 R64 Y66 Q127 C132 E134V63-H125 CarbonylContact C-O 3.43Å; V63-H125 WeakPolarHBondContact CA-O 3.14Å; R64-H125 HydrophobicContact CB-CB 4.24Å; R64-H125 PolarHBondContact N-O 2.97Å; R64-H125 PolarHBondContact O-N 2.81Å; Y66-H125 HydrophobicContact CE1-CB 3.85Å; H125-Q127 PolarHBondContact NE2-OE1 3.09Å; H125-C132 VanDerWaalsContact CE1-CB 3.5Å; H125-C132 WeakPolarHBondContact CE1-CB 3.48Å; H125-E134 HydrophobicContact CB-CB 4.26Å; H125-E134 IonicContact ND1-OE2 2.89Å
126F90.1Very high90Very high0 Ų049.4 Ų49.40%028%0.283CS..EExtended strand (participates in β ladder)trans-116.2133.7174.9-76.8-108.4000109.4F29 V31 C50 L52 T58 V61 E62 V63 V107 C124 C132 G133F29-F126 HydrophobicContact CE2-CB 3.72Å; F29-F126 HydrophobicContact CZ-CB 4.16Å; V31-F126 HydrophobicContact CB-CD2 4.27Å; V31-F126 HydrophobicContact CG1-CD2 3.73Å; V31-F126 HydrophobicContact CG1-CE2 3.64Å; V31-F126 HydrophobicContact CG2-CB 3.96Å; V31-F126 HydrophobicContact CG2-CD2 3.44Å; V31-F126 VanDerWaalsContact CG2-CD2 3.44Å; V31-F126 HydrophobicContact CG2-CE2 4.11Å; V31-F126 HydrophobicContact CG2-CG 3.93Å; C50-F126 HydrophobicContact CB-CE2 4.35Å; L52-F126 HydrophobicContact CB-CE1 4.37Å; L52-F126 HydrophobicContact CD1-CB 4.49Å; L52-F126 HydrophobicContact CD1-CD1 3.65Å; L52-F126 HydrophobicContact CD1-CE1 4.05Å; L52-F126 HydrophobicContact CD1-CG 4.23Å; T58-F126 HydrophobicContact CG2-CD1 4.24Å; T58-F126 HydrophobicContact CG2-CE1 3.66Å; V61-F126 HydrophobicContact CG1-CB 4.15Å; V61-F126 HydrophobicContact CG1-CD1 3.73Å; V61-F126 HydrophobicContact CG1-CG 4.43Å; E62-F126 CarbonylContact O-C 3.6Å; E62-F126 WeakPolarHBondContact O-CA 3.17Å; V63-F126 HydrophobicContact CG1-CE2 4.35Å; V63-F126 HydrophobicContact CG1-CZ 4.38Å; V63-F126 HydrophobicContact CG2-CD1 3.71Å; V63-F126 HydrophobicContact CG2-CE1 3.62Å; V63-F126 HydrophobicContact CG2-CG 4.36Å; V63-F126 HydrophobicContact CG2-CZ 4.22Å; V107-F126 HydrophobicContact CB-CZ 4.19Å; V107-F126 HydrophobicContact CG1-CE1 3.93Å; V107-F126 HydrophobicContact CG1-CZ 3.76Å; V107-F126 HydrophobicContact CG2-CE1 4.31Å; V107-F126 HydrophobicContact CG2-CE2 3.85Å; V107-F126 HydrophobicContact CG2-CZ 3.35Å; C124-F126 WeakPolarHBondContact SG-CE2 3.15Å; F126-C132 VanDerWaalsContact O-CA 3.29Å; F126-C132 WeakPolarHBondContact O-CA 3.45Å; F126-G133 PolarHBondContact N-O 2.99Å; F126-G133 PolarHBondContact O-N 3.35Å; F126-G133 VanDerWaalsContact O-N 3.11Å
127Q87.8Confident90Very high49 Ų4949.2 Ų49.223%0.22928%0.282CS..EExtended strand (participates in β ladder)trans-125.4120.4177.7-173.973.737.300110.3V61 E62 H125 G129V61-Q127 WeakPolarHBondContact CG1-O 3.38Å; E62-Q127 HydrophobicContact CB-CB 4.16Å; E62-Q127 PolarHBondContact N-O 2.72Å; E62-Q127 PolarHBondContact O-N 3.45Å; H125-Q127 PolarHBondContact NE2-OE1 3.09Å; Q127-G129 PolarHBondContact NE2-O 3.28Å
128D85.8Confident90.2Very high60 Ų6049 Ų4932%0.32127%0.274SS..EExtended strand (participates in β ladder)trans-130.199.1175.8-176.110.1000109.3F29 R56 V61 N130 Y131F29-D128 HydrophobicContact CE1-CB 3.98Å; F29-D128 HydrophobicContact CZ-CB 4.45Å; R56-D128 IonicContact CZ-OD2 2.96Å; R56-D128 IonicContact NH2-OD2 3.76Å; R56-D128 PolarHBondContact NH2-OD2 3.42Å; V61-D128 HydrophobicContact CG1-CB 4.25Å; V61-D128 HydrophobicContact CG2-CB 4.22Å; D128-N130 PolarHBondContact O-N 3.07Å; D128-N130 VanDerWaalsContact O-N 3.16Å; D128-Y131 PolarHBondContact N-O 3.28Å; D128-Y131 PolarHBondContact O-N 3.14Å
129G83.8Confident90.5Very high62 Ų6248.7 Ų48.764%0.63927%0.272SS*.THydrogen-bonded Turntrans59.2-116.5-17200000111.9Q127Q127-G129 PolarHBondContact NE2-O 3.28Å
130N81Confident90.6Very high162 Ų16249.7 Ų49.787%0.86627%0.273SS*.THydrogen-bonded Turntrans-92.4-2.4179.1-68.2-18.9000113.9D128D128-N130 PolarHBondContact O-N 3.07Å; D128-N130 VanDerWaalsContact O-N 3.16Å
131Y84.1Confident90.8Very high107 Ų10749 Ų4942%0.4227%0.266SS..EExtended strand (participates in β ladder)trans-100.6135.3-177.7-65-86.4000110.4S26 D128S26-Y131 VanDerWaalsContact OG-CE2 3.26Å; S26-Y131 WeakPolarHBondContact OG-CE2 3.41Å; S26-Y131 VanDerWaalsContact OG-CZ 3.25Å; S26-Y131 PolarHBondContact OG-OH 2.93Å; D128-Y131 PolarHBondContact N-O 3.28Å; D128-Y131 PolarHBondContact O-N 3.14Å
132C86.4Confident90.9Very high83 Ų8345.2 Ų45.256%0.56125%0.248SC*.EExtended strand (participates in β ladder)trans-128.2149.6173.861.20000111.3H125 F126H125-C132 VanDerWaalsContact CE1-CB 3.5Å; H125-C132 WeakPolarHBondContact CE1-CB 3.48Å; F126-C132 VanDerWaalsContact O-CA 3.29Å; F126-C132 WeakPolarHBondContact O-CA 3.45Å
133G89.4Confident91Very high13 Ų1345.6 Ų45.613%0.13425%0.252CS..EExtended strand (participates in β ladder)trans-147.4146.3169.200000109V31 F126V31-G133 VanDerWaalsContact CG2-C 3.44Å; V31-G133 VanDerWaalsContact CG2-O 3.25Å; V31-G133 WeakPolarHBondContact CG2-O 3.35Å; F126-G133 PolarHBondContact N-O 2.99Å; F126-G133 PolarHBondContact O-N 3.35Å; F126-G133 VanDerWaalsContact O-N 3.11Å
134E92.2Very high91Very high91 Ų9145.8 Ų45.843%0.42526%0.257SS..EExtended strand (participates in β ladder)trans-143.7161.6-178.664.6-177.8-153.900111.4Y66 W123 C124 H125Y66-E134 PolarHBondContact OH-OE2 2.86Å; W123-E134 HydrophobicContact CE3-CB 4.21Å; W123-E134 HydrophobicContact CE3-CG 3.93Å; W123-E134 HydrophobicContact CZ3-CG 3.88Å; W123-E134 VanDerWaalsContact CZ3-OE1 3.31Å; W123-E134 WeakPolarHBondContact CZ3-OE1 3.49Å; C124-E134 WeakPolarHBondContact O-CA 2.83Å; H125-E134 HydrophobicContact CB-CB 4.26Å; H125-E134 IonicContact ND1-OE2 2.89Å
135T93.7Very high91Very high28 Ų2846.1 Ų46.117%0.17226%0.261CS..EExtended strand (participates in β ladder)trans-145.1152.3172.6-1610000108.7V31 G33 C50 W123 C124V31-T135 HydrophobicContact CB-CG2 4.39Å; V31-T135 HydrophobicContact CG1-CG2 3.66Å; G33-T135 PolarHBondContact N-OG1 2.98Å; C50-T135 HydrophobicContact CB-CG2 4.2Å; C50-T135 WeakPolarHBondContact SG-CG2 3.42Å; W123-T135 WeakPolarHBondContact CA-O 3.39Å; C124-T135 HydrophobicContact CB-CG2 4.32Å; C124-T135 PolarHBondContact N-O 2.91Å; C124-T135 PolarHBondContact O-N 3.01Å
136S92.8Very high90.9Very high45 Ų4547 Ų4732%0.31527%0.27SS..EExtended strand (participates in β ladder)trans-105.3152.9174.671.10000111.3Q121 Y122Q121-S136 PolarHBondContact NE2-OG 2.83Å; Y122-S136 CarbonylContact O-C 3.59Å; Y122-S136 VanDerWaalsContact O-CA 3.25Å; Y122-S136 WeakPolarHBondContact O-CA 3.29Å
137L93.8Very high91.1Very high6 Ų649.9 Ų49.93%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-139.7146.8177.644.6124.7000109P34 I38 L48 C50 W65 Q121 Y122 C124P34-L137 HydrophobicContact CG-CB 3.95Å; I38-L137 HydrophobicContact CD1-CD1 4.18Å; L48-L137 HydrophobicContact CB-CD1 3.88Å; L48-L137 HydrophobicContact CD1-CD1 3.93Å; L48-L137 HydrophobicContact CD2-CD1 3.72Å; L48-L137 HydrophobicContact CG-CD1 4.04Å; C50-L137 WeakPolarHBondContact SG-CD2 3.42Å; W65-L137 HydrophobicContact CE3-CD2 4.42Å; W65-L137 HydrophobicContact CH2-CD2 4.12Å; W65-L137 HydrophobicContact CZ3-CD1 3.92Å; W65-L137 HydrophobicContact CZ3-CD2 3.48Å; W65-L137 VanDerWaalsContact CZ3-CD2 3.48Å; W65-L137 HydrophobicContact CZ3-CG 4.28Å; Q121-L137 WeakPolarHBondContact CA-O 3.49Å; Y122-L137 HydrophobicContact CG-CD1 4.38Å; Y122-L137 PolarHBondContact N-O 2.81Å; Y122-L137 PolarHBondContact O-N 2.88Å; C124-L137 HydrophobicContact CB-CD2 4.34Å
138L95.1Very high91.4Very high72 Ų7247.8 Ų47.838%0.37728%0.284SS..EExtended strand (participates in β ladder)trans-106.1117.5179.2-176.963.7000109.1P37 I38 K140P37-L138 CarbonylContact C-O 3.52Å; P37-L138 VanDerWaalsContact CA-O 3.28Å; P37-L138 WeakPolarHBondContact CA-O 3.26Å; P37-L138 HydrophobicContact CB-CB 4.27Å; P37-L138 HydrophobicContact CB-CD2 4.22Å; P37-L138 HydrophobicContact CB-CG 4.32Å; P37-L138 HydrophobicContact CG-CD2 4.03Å; I38-L138 PolarHBondContact N-O 3.12Å; L138-K140 HydrophobicContact CD2-CG 4.27Å; L138-K140 HydrophobicContact CG-CG 4.26Å
139L94.9Very high91.6Very high0 Ų047.1 Ų47.10%028%0.284CS..EExtended strand (participates in β ladder)trans-91.1117.3167.5-179.562.3000108.2I38 A40 A46 L48 I114 D118 N119 G120 Y122 V141I38-L139 HydrophobicContact CB-CD1 4.18Å; I38-L139 HydrophobicContact CG2-CD1 3.98Å; A40-L139 HydrophobicContact CB-CD1 3.98Å; A46-L139 HydrophobicContact CB-CD1 3.86Å; A46-L139 HydrophobicContact CB-CD2 4.41Å; L48-L139 HydrophobicContact CD2-CD1 4.37Å; I114-L139 HydrophobicContact CD1-CD2 4.09Å; D118-L139 HydrophobicContact CB-CD2 4.26Å; N119-L139 PolarHBondContact OD1-O 3.39Å; G120-L139 PolarHBondContact N-O 3.12Å; G120-L139 PolarHBondContact O-N 2.68Å; Y122-L139 HydrophobicContact CD2-CB 3.97Å; Y122-L139 HydrophobicContact CE2-CB 3.72Å; Y122-L139 HydrophobicContact CE2-CD2 3.84Å; Y122-L139 HydrophobicContact CE2-CG 4.43Å; L139-V141 HydrophobicContact CD2-CG2 4.36Å; L139-V141 HydrophobicContact CG-CG2 4.18Å
140K95.9Very high91.9Very high89 Ų8945.2 Ų45.239%0.38726%0.258SS..EExtended strand (participates in β ladder)trans-100.4118.3170.9-76-169.3173.3-171.60108.9P37 I38 L39 A40 N119 L138 V224P37-K140 HydrophobicContact CB-CD 4.01Å; P37-K140 HydrophobicContact CB-CG 4Å; P37-K140 HydrophobicContact CG-CD 4.37Å; I38-K140 PolarHBondContact O-N 3.12Å; L39-K140 WeakPolarHBondContact CA-O 3.21Å; L39-K140 HydrophobicContact CD1-CB 4.46Å; A40-K140 PolarHBondContact N-O 2.9Å; N119-K140 WeakPolarHBondContact OD1-CA 3.16Å; L138-K140 HydrophobicContact CD2-CG 4.27Å; L138-K140 HydrophobicContact CG-CG 4.26Å; K140-V224 HydrophobicContact CB-CG1 4.44Å; K140-V224 HydrophobicContact CD-CG1 4.48Å
141V96.2Very high92Very high1 Ų142.3 Ų42.31%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-97138176.3-1780000109.2A40 V42 I114 D118 N119 L139 F170A40-V141 WeakPolarHBondContact O-CA 3.22Å; V42-V141 HydrophobicContact CG2-CG1 3.65Å; I114-V141 HydrophobicContact CG2-CB 4.19Å; I114-V141 HydrophobicContact CG2-CG1 3.6Å; I114-V141 HydrophobicContact CG2-CG2 3.51Å; D118-V141 HydrophobicContact CB-CG2 4.47Å; N119-V141 HydrophobicContact CB-CB 4Å; N119-V141 HydrophobicContact CB-CG2 3.88Å; N119-V141 PolarHBondContact OD1-N 3.3Å; N119-V141 VanDerWaalsContact OD1-N 3.09Å; L139-V141 HydrophobicContact CD2-CG2 4.36Å; L139-V141 HydrophobicContact CG-CG2 4.18Å; V141-F170 HydrophobicContact CB-CD1 4.22Å; V141-F170 HydrophobicContact CB-CE1 3.96Å; V141-F170 HydrophobicContact CG1-CD1 4.03Å; V141-F170 HydrophobicContact CG1-CE1 4.19Å; V141-F170 WeakPolarHBondContact O-CD1 3.41Å; V141-F170 WeakPolarHBondContact O-CE1 3.27Å
142A96.8Very high91.5Very high1 Ų139.6 Ų39.61%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-143.1146.2172.300000111.2L39 A40 G41 V42 F170 V224 L225L39-A142 HydrophobicContact CD1-CB 4.26Å; A40-A142 PolarHBondContact O-N 3.45Å; G41-A142 CarbonylContact C-O 3.51Å; G41-A142 WeakPolarHBondContact CA-O 3.36Å; V42-A142 PolarHBondContact N-O 3.14Å; A142-F170 CarbonylContact C-O 3.51Å; A142-F170 VanDerWaalsContact CA-O 3.25Å; A142-F170 WeakPolarHBondContact CA-O 3.18Å; A142-V224 HydrophobicContact CB-CB 4.02Å; A142-V224 HydrophobicContact CB-CG1 3.95Å; A142-L225 HydrophobicContact CB-CD1 3.84Å; A142-L225 HydrophobicContact CB-CD2 3.85Å; A142-L225 HydrophobicContact CB-CG 3.56Å
143G94.8Very high90.7Very high8 Ų840 Ų408%0.08223%0.225CC..BIsolated β-bridgetrans-132130.9177.300000110.3F170 N222G143-F170 PolarHBondContact N-O 3.5Å; G143-F170 PolarHBondContact O-N 2.86Å; G143-F170 VanDerWaalsContact O-N 3.11Å; G143-N222 PolarHBondContact O-ND2 3.01Å; G143-N222 VanDerWaalsContact O-ND2 3.15Å
144L93.6Very high89.1Confident64 Ų6440.6 Ų40.634%0.33523%0.231SC..  trans-86.6111.1168.6-66.6175.9000108.9W169 N222 L225 E227L144-W169 HydrophobicContact CD2-CH2 4.49Å; L144-W169 HydrophobicContact CD2-CZ3 4.04Å; L144-N222 HydrophobicContact CD2-CB 4.1Å; L144-L225 HydrophobicContact CD1-CD1 4.26Å; L144-L225 HydrophobicContact CD2-CD1 3.66Å; L144-L225 HydrophobicContact CG-CD1 3.57Å; L144-E227 VanDerWaalsContact CD1-OE2 3.23Å; L144-E227 WeakPolarHBondContact CD1-OE2 3.37Å; L144-E227 HydrophobicContact CD2-CB 3.95Å
145G91.3Very high87.2Confident7 Ų740.3 Ų40.37%0.07224%0.237CC..  trans-73.1-166178.600000113.7R167 G168 K229G145-R167 CarbonylContact C-O 3.6Å; G145-R167 WeakPolarHBondContact CA-O 3.42Å; G145-G168 VanDerWaalsContact CA-C 3.5Å; G145-G168 WeakPolarHBondContact CA-O 3.47Å; G145-G168 PolarHBondContact N-O 2.81Å; G145-K229 PolarHBondContact O-NZ 2.9Å
146S90.6Very high85Confident40 Ų4040.9 Ų40.928%0.2825%0.249SC..PPolyproline II helixtrans-61.5151.3174.367.90000110.9R167 W169S146-R167 PolarHBondContact N-O 2.77Å; S146-R167 WeakPolarHBondContact OG-CG 3.31Å; S146-R167 PolarHBondContact OG-N 2.96Å; S146-R167 VanDerWaalsContact OG-N 3.08Å; S146-W169 WeakPolarHBondContact O-CZ2 3.39Å; S146-W169 PolarHBondContact O-NE1 3.37Å
147A93.1Very high82.8Confident60 Ų6049 Ų4950%0.49628%0.282SS..PPolyproline II helixtrans-56.5143.3162.200000108.9
148P95.4Very high80.9Confident5 Ų552 Ų523%0.03230%0.303CS..PPolyproline II helixtrans-6314217822-28.9000110.8C164 T165 A166 C218 V220 K229 S231P148-C164 WeakPolarHBondContact CB-SG 3.16Å; P148-T165 CarbonylContact C-O 3.53Å; P148-T165 VanDerWaalsContact CA-O 3.3Å; P148-T165 WeakPolarHBondContact CA-O 3.28Å; P148-A166 HydrophobicContact CB-CB 4.37Å; P148-C218 WeakPolarHBondContact CG-O 3.45Å; P148-V220 HydrophobicContact CB-CG2 3.91Å; P148-V220 HydrophobicContact CG-CG2 4.05Å; P148-K229 WeakPolarHBondContact CD-O 3.35Å; P148-K229 WeakPolarHBondContact CG-O 3.4Å; P148-S231 WeakPolarHBondContact O-CB 3.37Å; P148-S231 PolarHBondContact O-OG 3.34Å
149S89.7Confident79.6Confident45 Ų4549.5 Ų49.532%0.31530%0.295SS..EExtended strand (participates in β ladder)trans-107.8128.3170.644.10000109.3H151 C164 T165S149-H151 WeakPolarHBondContact CB-NE2 3.37Å; S149-H151 PolarHBondContact OG-NE2 2.84Å; S149-C164 CarbonylContact O-C 3.59Å; S149-C164 WeakPolarHBondContact O-CA 3.19Å; S149-T165 PolarHBondContact N-O 2.93Å; S149-T165 PolarHBondContact O-N 3.5Å; S149-T165 PolarHBondContact OG-O 2.74Å; S149-T165 PolarHBondContact OG-OG1 2.94Å
150I88.9Confident78.6Confident22 Ų2251 Ų5111%0.11330%0.304CS..EExtended strand (participates in β ladder)trans-103.5128.1177.6-57.4167.1000108.2L162 V163 C164 W177 C218 S231 I233I150-L162 HydrophobicContact CG2-CB 4.4Å; I150-V163 WeakPolarHBondContact CA-O 2.98Å; I150-C164 HydrophobicContact CG1-CB 4.41Å; I150-W177 HydrophobicContact CD1-CH2 4.39Å; I150-W177 HydrophobicContact CD1-CZ3 3.97Å; I150-W177 HydrophobicContact CG1-CH2 4.12Å; I150-W177 HydrophobicContact CG1-CZ3 4.21Å; I150-W177 HydrophobicContact CG2-CH2 3.85Å; I150-W177 HydrophobicContact CG2-CZ3 4.21Å; I150-C218 HydrophobicContact CD1-CB 3.87Å; I150-C218 HydrophobicContact CG1-CB 3.92Å; I150-S231 VanDerWaalsContact CD1-O 3.27Å; I150-S231 WeakPolarHBondContact CD1-O 3.49Å; I150-I233 HydrophobicContact CB-CB 4.33Å; I150-I233 HydrophobicContact CB-CG2 4.45Å; I150-I233 HydrophobicContact CD1-CB 4.21Å; I150-I233 HydrophobicContact CD1-CG2 4.09Å; I150-I233 HydrophobicContact CG2-CB 4.03Å; I150-I233 HydrophobicContact CG2-CD1 4.01Å; I150-I233 HydrophobicContact CG2-CG2 3.72Å
151H82.8Confident78Confident102 Ų10249.6 Ų49.647%0.47230%0.299SS..EExtended strand (participates in β ladder)trans-125.4147.1176.1-47.3-74.9000109.5S149 L162 V163S149-H151 WeakPolarHBondContact CB-NE2 3.37Å; S149-H151 PolarHBondContact OG-NE2 2.84Å; H151-L162 WeakPolarHBondContact O-CA 3.49Å; H151-V163 PolarHBondContact N-O 3.41Å; H151-V163 PolarHBondContact O-N 2.69Å
152M74.3Confident77.6Confident49 Ų4949.6 Ų49.624%0.24130%0.299CS..EExtended strand (participates in β ladder)trans-92.8121.3175.2-170.8178.9-60.400109.2V160 L162 L235M152-V160 HydrophobicContact CE-CG1 4.02Å; M152-V160 HydrophobicContact CG-CG1 3.58Å; M152-V160 HydrophobicContact SD-CG1 3.68Å; M152-L162 HydrophobicContact CB-CD2 4.15Å; M152-L162 HydrophobicContact CE-CD2 4.31Å; M152-L162 HydrophobicContact CG-CD2 4.14Å; M152-L235 HydrophobicContact CE-CD2 3.93Å
153E70.3Confident77.4Confident91 Ų9150.1 Ų50.143%0.42530%0.302SS..EExtended strand (participates in β ladder)trans-90.6141.4162.9-74.8-177.215500107.8Q161 V163E153-Q161 HydrophobicContact CB-CB 4.09Å; E153-Q161 HydrophobicContact CB-CG 4.21Å; E153-Q161 PolarHBondContact N-O 3.35Å; E153-Q161 VanDerWaalsContact O-O 3.08Å; E153-Q161 PolarHBondContact OE2-NE2 2.77Å; E153-V163 VanDerWaalsContact CD-CG2 3.49Å; E153-V163 HydrophobicContact CG-CG2 3.9Å; E153-V163 VanDerWaalsContact OE2-CG2 3.31Å; E153-V163 WeakPolarHBondContact OE2-CG2 3Å
154G54.7Low77.3Confident26 Ų2649.8 Ų49.827%0.26830%0.298SS..EExtended strand (participates in β ladder)trans-51.5169.5-169.400000115.1G156G154-G156 PolarHBondContact O-N 3.13Å
155P53Low77.3Confident85 Ų8547.7 Ų47.755%0.55229%0.288SS*.EExtended strand (participates in β ladder)trans-62112.6-177.125.9-32.8000110.5
156G47.2Very low77.5Confident40 Ų4047.5 Ų47.541%0.41229%0.286SS..EExtended strand (participates in β ladder)trans-71.9172.2166.500000110.3G154 S158 G159G154-G156 PolarHBondContact O-N 3.13Å; G156-S158 PolarHBondContact O-N 2.95Å; G156-G159 PolarHBondContact N-O 2.81Å; G156-G159 PolarHBondContact O-N 2.97Å
157E47.1Very low77.6Confident217 Ų21754.3 Ų54.3100%1.01431%0.306SS*.THydrogen-bonded Turntrans-57-11.4179.1-65.9-168.1159.800114.3
158S53.6Low77.6Confident67 Ų6752.7 Ų52.747%0.46930%0.295SS..THydrogen-bonded Turntrans-1314.5-173.972.90000117.1G156 R209G156-S158 PolarHBondContact O-N 2.95Å; S158-R209 WeakPolarHBondContact O-CD 3.36Å; S158-R209 VanDerWaalsContact O-CG 3.26Å; S158-R209 WeakPolarHBondContact O-CG 3.3Å
159G66.9Low77.7Confident21 Ų2152.5 Ų52.522%0.21629%0.293CS..EExtended strand (participates in β ladder)trans153.9-175.7-18000000114.4G156 V208G156-G159 PolarHBondContact N-O 2.81Å; G156-G159 PolarHBondContact O-N 2.97Å; G159-V208 WeakPolarHBondContact CA-O 3.49Å
160V74.9Confident78Confident32 Ų3251.2 Ų51.219%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-83.2129.3175.1177.90000109.3M152 L162 V207 V208M152-V160 HydrophobicContact CE-CG1 4.02Å; M152-V160 HydrophobicContact CG-CG1 3.58Å; M152-V160 HydrophobicContact SD-CG1 3.68Å; V160-L162 HydrophobicContact CG1-CD2 4.09Å; V160-L162 HydrophobicContact CG1-CG 4.46Å; V160-V207 CarbonylContact O-C 3.51Å; V160-V207 WeakPolarHBondContact O-CA 3.41Å; V160-V208 PolarHBondContact N-O 2.75Å; V160-V208 PolarHBondContact O-N 2.89Å
161Q83.4Confident78.4Confident59 Ų5951.8 Ų51.828%0.27629%0.287SS..EExtended strand (participates in β ladder)trans-95.7126.9176.7-174.8163.7-36.400109.8E153 V163 T205 L206E153-Q161 HydrophobicContact CB-CB 4.09Å; E153-Q161 HydrophobicContact CB-CG 4.21Å; E153-Q161 PolarHBondContact N-O 3.35Å; E153-Q161 VanDerWaalsContact O-O 3.08Å; E153-Q161 PolarHBondContact OE2-NE2 2.77Å; Q161-V163 HydrophobicContact CG-CG2 4.42Å; Q161-T205 HydrophobicContact CG-CG2 3.46Å; Q161-T205 VanDerWaalsContact CG-CG2 3.46Å; Q161-L206 WeakPolarHBondContact CA-O 3.34Å
162L87.6Confident79Confident0 Ų051.3 Ų51.30%029%0.285CS..EExtended strand (participates in β ladder)trans-114.7127176.3-59.9176.1000108.2I150 H151 M152 V160 W177 T205 L206 V208 V216 I233 L235I150-L162 HydrophobicContact CG2-CB 4.4Å; H151-L162 WeakPolarHBondContact O-CA 3.49Å; M152-L162 HydrophobicContact CB-CD2 4.15Å; M152-L162 HydrophobicContact CE-CD2 4.31Å; M152-L162 HydrophobicContact CG-CD2 4.14Å; V160-L162 HydrophobicContact CG1-CD2 4.09Å; V160-L162 HydrophobicContact CG1-CG 4.46Å; L162-W177 HydrophobicContact CB-CH2 3.83Å; L162-W177 HydrophobicContact CB-CZ2 4.39Å; L162-W177 HydrophobicContact CB-CZ3 4.38Å; L162-T205 CarbonylContact O-C 3.54Å; L162-T205 WeakPolarHBondContact O-CA 3.49Å; L162-L206 HydrophobicContact CB-CB 4.46Å; L162-L206 HydrophobicContact CD1-CD2 4.48Å; L162-L206 PolarHBondContact N-O 3.09Å; L162-L206 PolarHBondContact O-N 2.03Å; L162-V208 HydrophobicContact CD1-CG2 3.73Å; L162-V208 HydrophobicContact CG-CG2 4.36Å; L162-V216 HydrophobicContact CD1-CG2 3.35Å; L162-I233 HydrophobicContact CD1-CG2 4.12Å; L162-I233 HydrophobicContact CD2-CD1 4.37Å; L162-L235 HydrophobicContact CD1-CD2 4.29Å; L162-L235 HydrophobicContact CD2-CD2 4.27Å
163V91.9Very high80.1Confident12 Ų1249 Ų497%0.07327%0.274CS..EExtended strand (participates in β ladder)trans-112.4124178.3-175.30000108.1I150 H151 E153 Q161 T165 E203 T205I150-V163 WeakPolarHBondContact CA-O 2.98Å; H151-V163 PolarHBondContact N-O 3.41Å; H151-V163 PolarHBondContact O-N 2.69Å; E153-V163 VanDerWaalsContact CD-CG2 3.49Å; E153-V163 HydrophobicContact CG-CG2 3.9Å; E153-V163 VanDerWaalsContact OE2-CG2 3.31Å; E153-V163 WeakPolarHBondContact OE2-CG2 3Å; Q161-V163 HydrophobicContact CG-CG2 4.42Å; V163-T165 HydrophobicContact CG1-CG2 4Å; V163-E203 HydrophobicContact CG1-CG 3.93Å; V163-T205 HydrophobicContact CG2-CG2 4.39Å
164C94.3Very high81.3Confident1 Ų149.2 Ų49.21%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-105.5128.6174.1174.40000109.4P148 S149 I150 W177 E203 A204 C218P148-C164 WeakPolarHBondContact CB-SG 3.16Å; S149-C164 CarbonylContact O-C 3.59Å; S149-C164 WeakPolarHBondContact O-CA 3.19Å; I150-C164 HydrophobicContact CG1-CB 4.41Å; C164-W177 HydrophobicContact CB-CH2 3.6Å; C164-W177 HydrophobicContact CB-CZ2 3.26Å; C164-E203 CarbonylContact O-C 3.58Å; C164-E203 VanDerWaalsContact O-CA 3.24Å; C164-E203 WeakPolarHBondContact O-CA 3.35Å; C164-A204 PolarHBondContact N-O 2.95Å; C164-A204 PolarHBondContact O-N 3.14Å; C164-C218 HydrophobicContact CB-CB 3.57Å; C164-C218 WeakPolarHBondContact CB-SG 3.29Å; C164-C218 WeakPolarHBondContact SG-CB 3.12Å; C164-C218 CovalentContact SG-SG 2.02Å; C164-C218 PolarHBondContact SG-SG 2.82Å
165T93.3Very high83.2Confident21 Ų2148.5 Ų48.513%0.12927%0.265CS..EExtended strand (participates in β ladder)trans-126.8142.1179.860.70000110.9P148 S149 V163 Y201 A202 E203P148-T165 CarbonylContact C-O 3.53Å; P148-T165 VanDerWaalsContact CA-O 3.3Å; P148-T165 WeakPolarHBondContact CA-O 3.28Å; S149-T165 PolarHBondContact N-O 2.93Å; S149-T165 PolarHBondContact O-N 3.5Å; S149-T165 PolarHBondContact OG-O 2.74Å; S149-T165 PolarHBondContact OG-OG1 2.94Å; V163-T165 HydrophobicContact CG1-CG2 4Å; T165-Y201 HydrophobicContact CG2-CE2 4.43Å; T165-Y201 WeakPolarHBondContact CG2-OH 3.44Å; T165-A202 CarbonylContact C-O 3.51Å; T165-A202 WeakPolarHBondContact CA-O 3.24Å; T165-E203 HydrophobicContact CG2-CG 4.21Å
166A94.3Very high85.2Confident3 Ų346.3 Ų46.33%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-149.5144.6176.200000110.6P148 Y201 A202 V220P148-A166 HydrophobicContact CB-CB 4.37Å; A166-Y201 CarbonylContact O-C 3.51Å; A166-Y201 WeakPolarHBondContact O-CA 3.13Å; A166-A202 PolarHBondContact N-O 2.82Å; A166-A202 PolarHBondContact O-N 2.76Å; A166-V220 HydrophobicContact CB-CG2 3.82Å
167R93.8Very high87.4Confident183 Ų18344.4 Ų44.469%0.69123%0.227SC*.EExtended strand (participates in β ladder)trans-131159.1-174.163177.3-179-177.10.5112.7G145 S146 F200 Y201G145-R167 CarbonylContact C-O 3.6Å; G145-R167 WeakPolarHBondContact CA-O 3.42Å; S146-R167 PolarHBondContact N-O 2.77Å; S146-R167 WeakPolarHBondContact OG-CG 3.31Å; S146-R167 PolarHBondContact OG-N 2.96Å; S146-R167 VanDerWaalsContact OG-N 3.08Å; R167-F200 CarbonylContact C-O 3.58Å; R167-Y201 HydrophobicContact CB-CD2 4.32Å
168G93.1Very high89.6Confident26 Ų2636 Ų3627%0.26819%0.188SC..EExtended strand (participates in β ladder)trans78.423.7171.700000114.5G145 F200G145-G168 VanDerWaalsContact CA-C 3.5Å; G145-G168 WeakPolarHBondContact CA-O 3.47Å; G145-G168 PolarHBondContact N-O 2.81Å; G168-F200 PolarHBondContact N-O 2.82Å; G168-F200 VanDerWaalsContact N-O 3.09Å
169W96.9Very high91.1Very high0 Ų033.6 Ų33.60%017%0.169CC..EExtended strand (participates in β ladder)trans-90.6143-179.1-71.181000111.4L144 S146 P173 F200 V220 N222 K229L144-W169 HydrophobicContact CD2-CH2 4.49Å; L144-W169 HydrophobicContact CD2-CZ3 4.04Å; S146-W169 WeakPolarHBondContact O-CZ2 3.39Å; S146-W169 PolarHBondContact O-NE1 3.37Å; W169-P173 HydrophobicContact CB-CB 3.92Å; W169-P173 HydrophobicContact CB-CG 3.71Å; W169-P173 HydrophobicContact CD2-CB 4.19Å; W169-P173 HydrophobicContact CE3-CB 4.12Å; W169-P173 HydrophobicContact CG-CB 4.11Å; W169-P173 HydrophobicContact CG-CG 4.11Å; W169-F200 HydrophobicContact CB-CB 4.44Å; W169-F200 PolarHBondContact N-O 2.89Å; W169-F200 WeakPolarHBondContact O-CB 3.3Å; W169-F200 WeakPolarHBondContact O-CD2 3.43Å; W169-F200 PolarHBondContact O-N 3.16Å; W169-V220 HydrophobicContact CD2-CG1 3.59Å; W169-V220 HydrophobicContact CE3-CG1 3.87Å; W169-V220 HydrophobicContact CG-CG1 4.19Å; W169-V220 HydrophobicContact CH2-CB 3.89Å; W169-V220 HydrophobicContact CH2-CG1 3.82Å; W169-V220 WeakPolarHBondContact CH2-O 3.46Å; W169-V220 HydrophobicContact CZ2-CB 3.63Å; W169-V220 HydrophobicContact CZ2-CG1 3.54Å; W169-V220 HydrophobicContact CZ3-CB 4.46Å; W169-V220 HydrophobicContact CZ3-CG1 3.97Å; W169-N222 HydrophobicContact CE3-CB 4.2Å; W169-N222 HydrophobicContact CZ3-CB 3.95Å; W169-K229 HydrophobicContact CH2-CB 3.93Å; W169-K229 HydrophobicContact CH2-CD 4.21Å; W169-K229 HydrophobicContact CH2-CG 3.95Å; W169-K229 HydrophobicContact CZ2-CB 3.94Å; W169-K229 HydrophobicContact CZ2-CD 4.05Å; W169-K229 HydrophobicContact CZ2-CG 4.17Å
170F96.8Very high91.8Very high19 Ų1936.6 Ų36.68%0.08318%0.18CC..BIsolated β-bridgetrans-150.6140.3170.9-170.3-97.2000111.5V42 P116 N119 V141 A142 G143 G198 L199 F200 N222V42-F170 HydrophobicContact CG2-CB 4.26Å; P116-F170 HydrophobicContact CB-CD1 4.31Å; P116-F170 HydrophobicContact CB-CD2 3.7Å; P116-F170 HydrophobicContact CB-CE1 4.2Å; P116-F170 HydrophobicContact CB-CE2 3.58Å; P116-F170 HydrophobicContact CB-CG 4.07Å; P116-F170 HydrophobicContact CB-CZ 3.83Å; P116-F170 HydrophobicContact CG-CD2 4.17Å; P116-F170 HydrophobicContact CG-CG 4.24Å; N119-F170 HydrophobicContact CB-CE1 4.21Å; N119-F170 HydrophobicContact CB-CZ 4.38Å; V141-F170 HydrophobicContact CB-CD1 4.22Å; V141-F170 HydrophobicContact CB-CE1 3.96Å; V141-F170 HydrophobicContact CG1-CD1 4.03Å; V141-F170 HydrophobicContact CG1-CE1 4.19Å; V141-F170 WeakPolarHBondContact O-CD1 3.41Å; V141-F170 WeakPolarHBondContact O-CE1 3.27Å; A142-F170 CarbonylContact C-O 3.51Å; A142-F170 VanDerWaalsContact CA-O 3.25Å; A142-F170 WeakPolarHBondContact CA-O 3.18Å; G143-F170 PolarHBondContact N-O 3.5Å; G143-F170 PolarHBondContact O-N 2.86Å; G143-F170 VanDerWaalsContact O-N 3.11Å; F170-G198 VanDerWaalsContact CD2-O 3.28Å; F170-G198 WeakPolarHBondContact CD2-O 3.48Å; F170-L199 HydrophobicContact CB-CD2 3.95Å; F170-F200 HydrophobicContact CD2-CD2 4.25Å; F170-F200 HydrophobicContact CD2-CE2 4.09Å; F170-F200 HydrophobicContact CE2-CE2 4.33Å; F170-N222 PolarHBondContact O-ND2 3Å
171P95.4Very high92.3Very high33 Ų3344.1 Ų44.121%0.21420%0.204CC..SBendcis-66.4-167-11.133.2-38000111.4P173 P223 V224P171-P173 WeakPolarHBondContact O-CD 3.27Å; P171-P173 VanDerWaalsContact O-N 3.11Å; P171-P223 HydrophobicContact CG-CG 4.15Å; P171-V224 HydrophobicContact CG-CG2 3.57Å
172E96.6Very high92.3Very high93 Ų9343.2 Ų43.244%0.43521%0.21SC..  trans-45.9119.5178.8-170.8-171.8153.600111.3R192 F200E172-R192 HydrophobicContact CG-CB 4.48Å; E172-R192 WeakPolarHBondContact OE1-CD 3.45Å; E172-R192 IonicContact OE1-CZ 3.37Å; E172-R192 IonicContact OE1-NE 3.19Å; E172-R192 IonicContact OE1-NH1 3.97Å; E172-R192 PolarHBondContact OE1-NH1 2.81Å; E172-F200 HydrophobicContact CB-CD1 4.17Å; E172-F200 HydrophobicContact CB-CD2 4.39Å; E172-F200 HydrophobicContact CB-CE1 3.82Å; E172-F200 HydrophobicContact CB-CE2 4.07Å; E172-F200 HydrophobicContact CB-CG 4.44Å; E172-F200 HydrophobicContact CB-CZ 3.77Å; E172-F200 HydrophobicContact CG-CD1 4.02Å; E172-F200 HydrophobicContact CG-CE1 3.86Å; E172-F200 HydrophobicContact CG-CZ 4.33Å
173P96.9Very high92.3Very high1 Ų149.1 Ų49.11%0.00624%0.238CC..  trans-82.1161-175.733.9-37.5000112.2W169 P171 F200 A202 V220W169-P173 HydrophobicContact CB-CB 3.92Å; W169-P173 HydrophobicContact CB-CG 3.71Å; W169-P173 HydrophobicContact CD2-CB 4.19Å; W169-P173 HydrophobicContact CE3-CB 4.12Å; W169-P173 HydrophobicContact CG-CB 4.11Å; W169-P173 HydrophobicContact CG-CG 4.11Å; P171-P173 WeakPolarHBondContact O-CD 3.27Å; P171-P173 VanDerWaalsContact O-N 3.11Å; P173-F200 HydrophobicContact CG-CB 4.32Å; P173-A202 HydrophobicContact CG-CB 3.96Å; P173-V220 HydrophobicContact CB-CG1 3.67Å; P173-V220 HydrophobicContact CG-CG1 4.27Å
174Q95.8Very high92.2Very high95 Ų9555.2 Ų55.244%0.44426%0.264SS..EExtended strand (participates in β ladder)trans-99.4123.5170.6-65.8173-1700109.3V220 H221Q174-V220 CarbonylContact O-C 3.53Å; Q174-V220 WeakPolarHBondContact O-CA 3.44Å; Q174-H221 HydrophobicContact CB-CB 4.27Å; Q174-H221 PolarHBondContact N-O 3.37Å; Q174-H221 PolarHBondContact O-N 3.41Å; Q174-H221 PolarHBondContact OE1-ND1 2.87Å
175V95.3Very high91.9Very high10 Ų1057.9 Ų57.96%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-111.3133.9177.3-172.20000109.4A202 A204 L219 V220V175-A202 HydrophobicContact CG2-CB 3.51Å; V175-A204 HydrophobicContact CB-CB 4.39Å; V175-A204 HydrophobicContact CG1-CB 3.66Å; V175-L219 WeakPolarHBondContact CA-O 3.45Å; V175-V220 HydrophobicContact CG1-CG2 4.39Å; V175-V220 HydrophobicContact CG2-CG1 4.21Å; V175-V220 HydrophobicContact CG2-CG2 4.16Å
176Y93.9Very high91.7Very high39 Ų3964.4 Ų64.415%0.15331%0.311CS..EExtended strand (participates in β ladder)trans-149.2157.5174.347.8-87.8000111.4E178 L219 H221 E228Y176-E178 HydrophobicContact CD2-CG 4.11Å; Y176-E178 HydrophobicContact CE2-CG 4.46Å; Y176-E178 WeakPolarHBondContact CE2-OE1 3.35Å; Y176-L219 HydrophobicContact CD2-CB 4.04Å; Y176-L219 HydrophobicContact CD2-CD1 4Å; Y176-L219 HydrophobicContact CE2-CB 3.61Å; Y176-L219 HydrophobicContact CE2-CD1 3.82Å; Y176-L219 HydrophobicContact CE2-CD2 4.43Å; Y176-L219 HydrophobicContact CE2-CG 4.15Å; Y176-L219 PolarHBondContact N-O 3.39Å; Y176-L219 PolarHBondContact O-N 2.89Å; Y176-H221 HydrophobicContact CE1-CB 4Å; Y176-E228 PolarHBondContact OH-OE2 2.97Å
177W94.2Very high91.4Very high0 Ų065.6 Ų65.60%032%0.32CS..EExtended strand (participates in β ladder)trans-104.4144.7176.3-69.392.7000110.4I150 L162 C164 K184 L185 A204 L206 V216 S217 C218I150-W177 HydrophobicContact CD1-CH2 4.39Å; I150-W177 HydrophobicContact CD1-CZ3 3.97Å; I150-W177 HydrophobicContact CG1-CH2 4.12Å; I150-W177 HydrophobicContact CG1-CZ3 4.21Å; I150-W177 HydrophobicContact CG2-CH2 3.85Å; I150-W177 HydrophobicContact CG2-CZ3 4.21Å; L162-W177 HydrophobicContact CB-CH2 3.83Å; L162-W177 HydrophobicContact CB-CZ2 4.39Å; L162-W177 HydrophobicContact CB-CZ3 4.38Å; C164-W177 HydrophobicContact CB-CH2 3.6Å; C164-W177 HydrophobicContact CB-CZ2 3.26Å; W177-K184 CarbonylContact O-C 3.5Å; W177-K184 WeakPolarHBondContact O-CA 3.34Å; W177-L185 HydrophobicContact CB-CB 3.84Å; W177-L185 PolarHBondContact O-N 3.15Å; W177-A204 WeakPolarHBondContact CZ2-O 3.25Å; W177-L206 HydrophobicContact CB-CD2 4.22Å; W177-L206 HydrophobicContact CD2-CB 3.85Å; W177-L206 HydrophobicContact CD2-CD2 3.86Å; W177-L206 HydrophobicContact CD2-CG 4.43Å; W177-L206 HydrophobicContact CE3-CB 4.39Å; W177-L206 HydrophobicContact CE3-CD2 3.79Å; W177-L206 HydrophobicContact CG-CB 4.09Å; W177-L206 HydrophobicContact CG-CD2 4.08Å; W177-L206 HydrophobicContact CG-CG 4.5Å; W177-L206 HydrophobicContact CZ2-CB 4.02Å; W177-L206 HydrophobicContact CZ3-CD2 4.38Å; W177-V216 HydrophobicContact CE3-CB 4.49Å; W177-V216 HydrophobicContact CE3-CG2 4.28Å; W177-V216 HydrophobicContact CZ3-CG2 4.03Å; W177-S217 CarbonylContact C-O 3.57Å; W177-S217 VanDerWaalsContact CA-O 3.3Å; W177-S217 WeakPolarHBondContact CA-O 3.45Å; W177-C218 HydrophobicContact CD2-CB 4.22Å; W177-C218 HydrophobicContact CE3-CB 3.89Å; W177-C218 HydrophobicContact CH2-CB 4.08Å; W177-C218 HydrophobicContact CZ2-CB 4.39Å; W177-C218 HydrophobicContact CZ3-CB 3.81Å
178E92.1Very high91.1Very high42 Ų4261.7 Ų61.720%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-132.1146.2175.2-68.8-176.2172.400111.3Y176 E183 K184 V216 S217 L219Y176-E178 HydrophobicContact CD2-CG 4.11Å; Y176-E178 HydrophobicContact CE2-CG 4.46Å; Y176-E178 WeakPolarHBondContact CE2-OE1 3.35Å; E178-E183 WeakPolarHBondContact CA-O 3.38Å; E178-K184 HydrophobicContact CG-CG 4.43Å; E178-V216 WeakPolarHBondContact O-CA 3.45Å; E178-S217 PolarHBondContact N-O 3.33Å; E178-S217 PolarHBondContact O-N 2.95Å; E178-L219 HydrophobicContact CB-CD1 3.93Å; E178-L219 HydrophobicContact CG-CD1 3.66Å; E178-L219 WeakPolarHBondContact OE2-CD1 3.2Å
179D85.5Confident91Very high15 Ų1562.3 Ų62.38%0.0832%0.317CS..EExtended strand (participates in β ladder)trans-80.4177.6168.182.2-2.2000111.6R181 G182 E183 L185D179-R181 PolarHBondContact O-N 2.93Å; D179-R181 VanDerWaalsContact OD1-CA 3.29Å; D179-R181 WeakPolarHBondContact OD1-CA 3.42Å; D179-R181 VanDerWaalsContact OD1-CB 3.31Å; D179-R181 WeakPolarHBondContact OD1-CB 3.44Å; D179-R181 PolarHBondContact OD1-N 2.82Å; D179-R181 IonicContact OD2-CZ 2.76Å; D179-R181 IonicContact OD2-NE 2.74Å; D179-R181 PolarHBondContact OD2-NE 3.34Å; D179-R181 VanDerWaalsContact OD2-NE 3.14Å; D179-R181 IonicContact OD2-NH2 3.17Å; D179-R181 PolarHBondContact OD2-NH2 3.06Å; D179-G182 PolarHBondContact O-N 3.02Å; D179-G182 PolarHBondContact OD1-N 3.43Å; D179-G182 VanDerWaalsContact OD1-N 3.15Å; D179-E183 PolarHBondContact N-O 3Å; D179-E183 WeakPolarHBondContact OD1-CB 3.34Å; D179-E183 PolarHBondContact OD1-N 2.75Å; D179-L185 HydrophobicContact CB-CD1 4.19Å; D179-L185 HydrophobicContact CB-CD2 4.21Å; D179-L185 HydrophobicContact CB-CG 4.32Å
180I82.6Confident90.7Very high85 Ų8566.3 Ų66.344%0.43634%0.336SS..THydrogen-bonded Turntrans-59.7-17.1178.771.3179.9000114.6S215I180-S215 WeakPolarHBondContact CG2-O 3.49Å; I180-S215 WeakPolarHBondContact CG2-OG 3.4Å
181R84.2Confident90.3Very high190 Ų19070 Ų7072%0.71735%0.353SS*.THydrogen-bonded Turntrans-96.9-0.6179.3-60.1174.7-68.5-156.7-3111.7D179 E183D179-R181 PolarHBondContact O-N 2.93Å; D179-R181 VanDerWaalsContact OD1-CA 3.29Å; D179-R181 WeakPolarHBondContact OD1-CA 3.42Å; D179-R181 VanDerWaalsContact OD1-CB 3.31Å; D179-R181 WeakPolarHBondContact OD1-CB 3.44Å; D179-R181 PolarHBondContact OD1-N 2.82Å; D179-R181 IonicContact OD2-CZ 2.76Å; D179-R181 IonicContact OD2-NE 2.74Å; D179-R181 PolarHBondContact OD2-NE 3.34Å; D179-R181 VanDerWaalsContact OD2-NE 3.14Å; D179-R181 IonicContact OD2-NH2 3.17Å; D179-R181 PolarHBondContact OD2-NH2 3.06Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 HydrophobicContact CB-CG 4.41Å
182G84.8Confident90.2Very high39 Ų3973.1 Ų73.140%0.40236%0.361SS..  trans78.515-174.800000113.4D179D179-G182 PolarHBondContact O-N 3.02Å; D179-G182 PolarHBondContact OD1-N 3.43Å; D179-G182 VanDerWaalsContact OD1-N 3.15Å
183E87.1Confident89.8Confident124 Ų12473.5 Ų73.558%0.57937%0.365SS*.PPolyproline II helixtrans-79131.4175.5-67.2-66.4150.400109.9E178 D179 R181 L185E178-E183 WeakPolarHBondContact CA-O 3.38Å; D179-E183 PolarHBondContact N-O 3Å; D179-E183 WeakPolarHBondContact OD1-CB 3.34Å; D179-E183 PolarHBondContact OD1-N 2.75Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 HydrophobicContact CB-CG 4.41Å; E183-L185 PolarHBondContact O-N 3.28Å
184K89Confident89.6Confident141 Ų14178.5 Ų78.561%0.61339%0.388SS*.EExtended strand (participates in β ladder)trans-68.2126.8-178.5-67.1-166.9175.9-163.50111.3W177 E178W177-K184 CarbonylContact O-C 3.5Å; W177-K184 WeakPolarHBondContact O-CA 3.34Å; E178-K184 HydrophobicContact CG-CG 4.43Å
185L88.3Confident89.2Confident56 Ų5677.7 Ų77.729%0.29339%0.387SS..EExtended strand (participates in β ladder)trans-95.9144.5176.4-58.9176.4000110.3W177 D179 E183 A187 L206 V216W177-L185 HydrophobicContact CB-CB 3.84Å; W177-L185 PolarHBondContact O-N 3.15Å; D179-L185 HydrophobicContact CB-CD1 4.19Å; D179-L185 HydrophobicContact CB-CD2 4.21Å; D179-L185 HydrophobicContact CB-CG 4.32Å; E183-L185 PolarHBondContact O-N 3.28Å; L185-A187 PolarHBondContact O-N 3.31Å; L185-L206 HydrophobicContact CB-CD1 3.95Å; L185-L206 HydrophobicContact CD1-CD2 3.8Å; L185-V216 HydrophobicContact CD1-CB 4.45Å; L185-V216 HydrophobicContact CD1-CG1 3.85Å
186L88.6Confident88.8Confident159 Ų15986.9 Ų86.983%0.83243%0.429SS*.PPolyproline II helixtrans-81.7119.5179-66.7173.8000110.2L206L186-L206 WeakPolarHBondContact O-CD1 3.43Å
187A89Confident88.4Confident27 Ų2790.5 Ų90.522%0.22345%0.451CS..PPolyproline II helixtrans-68145.6167.900000110.5L185 E190 T205L185-A187 PolarHBondContact O-N 3.31Å; A187-E190 HydrophobicContact CB-CG 3.82Å; A187-T205 CarbonylContact C-O 3.55Å; A187-T205 VanDerWaalsContact CA-O 3.27Å; A187-T205 WeakPolarHBondContact CA-O 3.47Å; A187-T205 WeakPolarHBondContact CB-O 3.21Å
188V87.9Confident88.2Confident102 Ų10291.1 Ų91.162%0.61846%0.457SS*.SBendtrans-80.3-35.2173.1175.20000110.8T205 V207V188-T205 PolarHBondContact N-O 3.23Å; V188-V207 HydrophobicContact CG2-CB 4Å; V188-V207 HydrophobicContact CG2-CG2 3.7Å
189S89.3Confident88.2Confident39 Ų3990.7 Ų90.727%0.27346%0.456SS..EExtended strand (participates in β ladder)trans-147.5150.6174.860.70000110.7A204 T205S189-A204 WeakPolarHBondContact O-CA 3.09Å; S189-T205 PolarHBondContact O-N 3.22Å; S189-T205 VanDerWaalsContact OG-CB 3.29Å; S189-T205 WeakPolarHBondContact OG-CB 3.43Å; S189-T205 PolarHBondContact OG-OG1 3.5Å
190E91.9Very high88.7Confident84 Ų8491.1 Ų91.139%0.39346%0.457SS..EExtended strand (participates in β ladder)trans-139.7130.4174.1-67.2-179.6-157.800109.4A187 R192 E203 A204A187-E190 HydrophobicContact CB-CG 3.82Å; E190-R192 IonicContact OE2-CZ 3.57Å; E190-R192 IonicContact OE2-NH2 3.5Å; E190-R192 PolarHBondContact OE2-NH2 3Å; E190-E203 CarbonylContact C-O 3.55Å; E190-E203 WeakPolarHBondContact CA-O 3.44Å; E190-A204 HydrophobicContact CG-CB 4.11Å
191H88.1Confident89.2Confident95 Ų9590.9 Ų90.944%0.4445%0.451SS..EExtended strand (participates in β ladder)trans-128.6137.2178.6-61.4-58.8000110A202 E203H191-A202 WeakPolarHBondContact O-CA 3.15Å; H191-E203 HydrophobicContact CB-CB 4.42Å; H191-E203 IonicContact CD2-OE1 3.56Å; H191-E203 PolarHBondContact N-O 3.16Å; H191-E203 PolarHBondContact O-N 3.11Å
192R93.6Very high89.7Confident100 Ų10081.9 Ų81.938%0.37742%0.417SS..EExtended strand (participates in β ladder)trans-134.9113.9178.7-62.2163.6-157.9168.52.6107.1E172 E190 Y201 A202E172-R192 HydrophobicContact CG-CB 4.48Å; E172-R192 WeakPolarHBondContact OE1-CD 3.45Å; E172-R192 IonicContact OE1-CZ 3.37Å; E172-R192 IonicContact OE1-NE 3.19Å; E172-R192 IonicContact OE1-NH1 3.97Å; E172-R192 PolarHBondContact OE1-NH1 2.81Å; E190-R192 IonicContact OE2-CZ 3.57Å; E190-R192 IonicContact OE2-NH2 3.5Å; E190-R192 PolarHBondContact OE2-NH2 3Å; R192-Y201 CarbonylContact C-O 3.56Å; R192-Y201 WeakPolarHBondContact CA-O 3.49Å; R192-A202 HydrophobicContact CG-CB 4.47Å
193I88.9Confident90.1Very high101 Ų10182.6 Ų82.652%0.51841%0.41SS..EExtended strand (participates in β ladder)trans-122.7128.8-170.9-55.6171.9000106.7F200 Y201I193-F200 WeakPolarHBondContact O-CA 3.33Å; I193-Y201 HydrophobicContact CD1-CD1 4.36Å; I193-Y201 PolarHBondContact N-O 2.79Å; I193-Y201 PolarHBondContact O-N 3.2Å
194Q92.8Very high90.5Very high106 Ų10676.7 Ų76.750%0.49538%0.383SS..EExtended strand (participates in β ladder)trans-93.7133.3176.3-164174.625.500109.4G198 L199 F200Q194-G198 PolarHBondContact NE2-O 2.75Å; Q194-L199 CarbonylContact C-O 3.4Å; Q194-L199 WeakPolarHBondContact CA-O 3.45Å; Q194-F200 HydrophobicContact CB-CD1 4.25Å; Q194-F200 HydrophobicContact CB-CE1 3.99Å; Q194-F200 HydrophobicContact CB-CZ 4.25Å; Q194-F200 HydrophobicContact CG-CE1 4.32Å; Q194-F200 HydrophobicContact CG-CE2 4.23Å; Q194-F200 HydrophobicContact CG-CZ 4.11Å
195D85.8Confident90.6Very high78 Ų7870.4 Ų70.442%0.41736%0.356SS..  trans-84.9179.7175.464.925.1000112.6D197 G198 L199D195-D197 PolarHBondContact O-N 3.2Å; D195-D197 WeakPolarHBondContact OD1-CA 3.46Å; D195-D197 PolarHBondContact OD1-N 2.87Å; D195-D197 VanDerWaalsContact OD1-N 3.07Å; D195-G198 PolarHBondContact O-N 3.13Å; D195-G198 VanDerWaalsContact O-N 3.09Å; D195-G198 PolarHBondContact OD1-N 3.07Å; D195-L199 PolarHBondContact N-O 3.03Å; D195-L199 PolarHBondContact OD1-N 3.08Å
196E87.8Confident90.7Very high203 Ų20368.1 Ų68.195%0.94934%0.344SS*.THydrogen-bonded Turntrans-64.1-27.3-179.2-63.7-172.4161.100113G198E196-G198 PolarHBondContact O-N 3.14Å
197D85.9Confident90.4Very high115 Ų11562.1 Ų62.162%0.61531%0.314SS*.THydrogen-bonded Turntrans-82.6-4.2177.1-63.7-38.9000112.1P116 D195P116-D197 VanDerWaalsContact CG-O 3.3Å; P116-D197 WeakPolarHBondContact CG-O 3.39Å; D195-D197 PolarHBondContact O-N 3.2Å; D195-D197 WeakPolarHBondContact OD1-CA 3.46Å; D195-D197 PolarHBondContact OD1-N 2.87Å; D195-D197 VanDerWaalsContact OD1-N 3.07Å
198G88.6Confident89.9Confident12 Ų1262 Ų6212%0.12431%0.31CS..SBendtrans84.89.2179.600000114.2F170 Q194 D195 E196F170-G198 VanDerWaalsContact CD2-O 3.28Å; F170-G198 WeakPolarHBondContact CD2-O 3.48Å; Q194-G198 PolarHBondContact NE2-O 2.75Å; D195-G198 PolarHBondContact O-N 3.13Å; D195-G198 VanDerWaalsContact O-N 3.09Å; D195-G198 PolarHBondContact OD1-N 3.07Å; E196-G198 PolarHBondContact O-N 3.14Å
199L92.9Very high88.9Confident33 Ų3366.2 Ų66.217%0.17332%0.315CS..PPolyproline II helixtrans-88.1152.2176.7-61.3173.6000111.1V42 P116 F170 Q194 D195V42-L199 HydrophobicContact CG1-CD2 4.33Å; V42-L199 HydrophobicContact CG2-CD2 4.28Å; P116-L199 HydrophobicContact CG-CD2 3.7Å; P116-L199 HydrophobicContact CG-CG 4.2Å; F170-L199 HydrophobicContact CB-CD2 3.95Å; Q194-L199 CarbonylContact C-O 3.4Å; Q194-L199 WeakPolarHBondContact CA-O 3.45Å; D195-L199 PolarHBondContact N-O 3.03Å; D195-L199 PolarHBondContact OD1-N 3.08Å
200F95.1Very high87.2Confident24 Ų2470.3 Ų70.311%0.10533%0.334CS..EExtended strand (participates in β ladder)trans-97.7130.6-177.8-71.7-94000112.2R167 G168 W169 F170 E172 P173 I193 Q194R167-F200 CarbonylContact C-O 3.58Å; G168-F200 PolarHBondContact N-O 2.82Å; G168-F200 VanDerWaalsContact N-O 3.09Å; W169-F200 HydrophobicContact CB-CB 4.44Å; W169-F200 PolarHBondContact N-O 2.89Å; W169-F200 WeakPolarHBondContact O-CB 3.3Å; W169-F200 WeakPolarHBondContact O-CD2 3.43Å; W169-F200 PolarHBondContact O-N 3.16Å; F170-F200 HydrophobicContact CD2-CD2 4.25Å; F170-F200 HydrophobicContact CD2-CE2 4.09Å; F170-F200 HydrophobicContact CE2-CE2 4.33Å; E172-F200 HydrophobicContact CB-CD1 4.17Å; E172-F200 HydrophobicContact CB-CD2 4.39Å; E172-F200 HydrophobicContact CB-CE1 3.82Å; E172-F200 HydrophobicContact CB-CE2 4.07Å; E172-F200 HydrophobicContact CB-CG 4.44Å; E172-F200 HydrophobicContact CB-CZ 3.77Å; E172-F200 HydrophobicContact CG-CD1 4.02Å; E172-F200 HydrophobicContact CG-CE1 3.86Å; E172-F200 HydrophobicContact CG-CZ 4.33Å; P173-F200 HydrophobicContact CG-CB 4.32Å; I193-F200 WeakPolarHBondContact O-CA 3.33Å; Q194-F200 HydrophobicContact CB-CD1 4.25Å; Q194-F200 HydrophobicContact CB-CE1 3.99Å; Q194-F200 HydrophobicContact CB-CZ 4.25Å; Q194-F200 HydrophobicContact CG-CE1 4.32Å; Q194-F200 HydrophobicContact CG-CE2 4.23Å; Q194-F200 HydrophobicContact CG-CZ 4.11Å
201Y93.9Very high85.2Confident80 Ų8070 Ų7031%0.31435%0.346SS..EExtended strand (participates in β ladder)trans-91.4129.4155.7173.9-97.1000108.8T165 A166 R167 R192 I193 E203T165-Y201 HydrophobicContact CG2-CE2 4.43Å; T165-Y201 WeakPolarHBondContact CG2-OH 3.44Å; A166-Y201 CarbonylContact O-C 3.51Å; A166-Y201 WeakPolarHBondContact O-CA 3.13Å; R167-Y201 HydrophobicContact CB-CD2 4.32Å; R192-Y201 CarbonylContact C-O 3.56Å; R192-Y201 WeakPolarHBondContact CA-O 3.49Å; I193-Y201 HydrophobicContact CD1-CD1 4.36Å; I193-Y201 PolarHBondContact N-O 2.79Å; I193-Y201 PolarHBondContact O-N 3.2Å; Y201-E203 HydrophobicContact CE1-CB 3.69Å; Y201-E203 PolarHBondContact OH-OE2 3.22Å
202A94.1Very high83.3Confident1 Ų169.8 Ų69.81%0.00836%0.355CS..EExtended strand (participates in β ladder)trans-121.9135.9177.500000110.1T165 A166 P173 V175 H191 R192T165-A202 CarbonylContact C-O 3.51Å; T165-A202 WeakPolarHBondContact CA-O 3.24Å; A166-A202 PolarHBondContact N-O 2.82Å; A166-A202 PolarHBondContact O-N 2.76Å; P173-A202 HydrophobicContact CG-CB 3.96Å; V175-A202 HydrophobicContact CG2-CB 3.51Å; H191-A202 WeakPolarHBondContact O-CA 3.15Å; R192-A202 HydrophobicContact CG-CB 4.47Å
203E94Very high81.5Confident55 Ų5565.8 Ų65.826%0.25734%0.343SS..EExtended strand (participates in β ladder)trans-134.8132.9179.6179.1178.9101.300109.4V163 C164 T165 E190 H191 Y201V163-E203 HydrophobicContact CG1-CG 3.93Å; C164-E203 CarbonylContact O-C 3.58Å; C164-E203 VanDerWaalsContact O-CA 3.24Å; C164-E203 WeakPolarHBondContact O-CA 3.35Å; T165-E203 HydrophobicContact CG2-CG 4.21Å; E190-E203 CarbonylContact C-O 3.55Å; E190-E203 WeakPolarHBondContact CA-O 3.44Å; H191-E203 HydrophobicContact CB-CB 4.42Å; H191-E203 IonicContact CD2-OE1 3.56Å; H191-E203 PolarHBondContact N-O 3.16Å; H191-E203 PolarHBondContact O-N 3.11Å; Y201-E203 HydrophobicContact CE1-CB 3.69Å; Y201-E203 PolarHBondContact OH-OE2 3.22Å
204A94.5Very high80.5Confident0 Ų067.8 Ų67.80%035%0.35CS..EExtended strand (participates in β ladder)trans-137.9134.5176.900000110.3C164 V175 W177 S189 E190C164-A204 PolarHBondContact N-O 2.95Å; C164-A204 PolarHBondContact O-N 3.14Å; V175-A204 HydrophobicContact CB-CB 4.39Å; V175-A204 HydrophobicContact CG1-CB 3.66Å; W177-A204 WeakPolarHBondContact CZ2-O 3.25Å; S189-A204 WeakPolarHBondContact O-CA 3.09Å; E190-A204 HydrophobicContact CG-CB 4.11Å
205T91.8Very high79.9Confident8 Ų864 Ų645%0.04934%0.335CS..EExtended strand (participates in β ladder)trans-111131.6-178.2-59.10000110.9Q161 L162 V163 A187 V188 S189Q161-T205 HydrophobicContact CG-CG2 3.46Å; Q161-T205 VanDerWaalsContact CG-CG2 3.46Å; L162-T205 CarbonylContact O-C 3.54Å; L162-T205 WeakPolarHBondContact O-CA 3.49Å; V163-T205 HydrophobicContact CG2-CG2 4.39Å; A187-T205 CarbonylContact C-O 3.55Å; A187-T205 VanDerWaalsContact CA-O 3.27Å; A187-T205 WeakPolarHBondContact CA-O 3.47Å; A187-T205 WeakPolarHBondContact CB-O 3.21Å; V188-T205 PolarHBondContact N-O 3.23Å; S189-T205 PolarHBondContact O-N 3.22Å; S189-T205 VanDerWaalsContact OG-CB 3.29Å; S189-T205 WeakPolarHBondContact OG-CB 3.43Å; S189-T205 PolarHBondContact OG-OG1 3.5Å
206L89.5Confident80.1Confident9 Ų960.3 Ų60.35%0.04732%0.316CS..EExtended strand (participates in β ladder)trans-119.2137.2175.6176.568.2000110Q161 L162 W177 L185 L186 V208 V216Q161-L206 WeakPolarHBondContact CA-O 3.34Å; L162-L206 HydrophobicContact CB-CB 4.46Å; L162-L206 HydrophobicContact CD1-CD2 4.48Å; L162-L206 PolarHBondContact N-O 3.09Å; L162-L206 PolarHBondContact O-N 2.03Å; W177-L206 HydrophobicContact CB-CD2 4.22Å; W177-L206 HydrophobicContact CD2-CB 3.85Å; W177-L206 HydrophobicContact CD2-CD2 3.86Å; W177-L206 HydrophobicContact CD2-CG 4.43Å; W177-L206 HydrophobicContact CE3-CB 4.39Å; W177-L206 HydrophobicContact CE3-CD2 3.79Å; W177-L206 HydrophobicContact CG-CB 4.09Å; W177-L206 HydrophobicContact CG-CD2 4.08Å; W177-L206 HydrophobicContact CG-CG 4.5Å; W177-L206 HydrophobicContact CZ2-CB 4.02Å; W177-L206 HydrophobicContact CZ3-CD2 4.38Å; L185-L206 HydrophobicContact CB-CD1 3.95Å; L185-L206 HydrophobicContact CD1-CD2 3.8Å; L186-L206 WeakPolarHBondContact O-CD1 3.43Å; L206-V208 HydrophobicContact CD2-CG2 3.96Å; L206-V208 HydrophobicContact CG-CG2 4.11Å; L206-V216 HydrophobicContact CD2-CB 4.42Å; L206-V216 HydrophobicContact CD2-CG1 4.32Å; L206-V216 HydrophobicContact CD2-CG2 4.38Å
207V83.8Confident80.3Confident33 Ų3351.8 Ų51.820%0.228%0.278CS..EExtended strand (participates in β ladder)trans-108.9115171.7175.40000109.8V160 V188 R209V160-V207 CarbonylContact O-C 3.51Å; V160-V207 WeakPolarHBondContact O-CA 3.41Å; V188-V207 HydrophobicContact CG2-CB 4Å; V188-V207 HydrophobicContact CG2-CG2 3.7Å; V207-R209 HydrophobicContact CG1-CG 4.11Å
208V77.4Confident80.8Confident23 Ų2346.3 Ų46.314%0.13925%0.249CC..EExtended strand (participates in β ladder)trans-94.9111.9179.5-174.30000109.1G159 V160 L162 L206 L235G159-V208 WeakPolarHBondContact CA-O 3.49Å; V160-V208 PolarHBondContact N-O 2.75Å; V160-V208 PolarHBondContact O-N 2.89Å; L162-V208 HydrophobicContact CD1-CG2 3.73Å; L162-V208 HydrophobicContact CG-CG2 4.36Å; L206-V208 HydrophobicContact CD2-CG2 3.96Å; L206-V208 HydrophobicContact CG-CG2 4.11Å; V208-L235 HydrophobicContact CG1-CD1 3.99Å; V208-L235 HydrophobicContact CG2-CD1 4.49Å
209R66.6Low81.1Confident192 Ų19246.5 Ų46.573%0.72525%0.247SC*.  trans-99.4-19.5-177.3-56-161.9169.1151.9-1.9114.7S158 V207S158-R209 WeakPolarHBondContact O-CD 3.36Å; S158-R209 VanDerWaalsContact O-CG 3.26Å; S158-R209 WeakPolarHBondContact O-CG 3.3Å; V207-R209 HydrophobicContact CG1-CG 4.11Å
210N55.1Low81.3Confident125 Ų12545 Ų4567%0.66824%0.239SC*.SBendtrans-133.8127.5-172.7-141.41.3000109S212N210-S212 PolarHBondContact O-N 2.97Å
211A49.1Very low81.4Confident78 Ų7845.6 Ų45.665%0.64524%0.243SC*.THydrogen-bonded Turntrans-69.313.6-173.500000114.7A213A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.91Å
212S48.9Very low81.5Confident89 Ų8941.9 Ų41.962%0.62223%0.228SC*.THydrogen-bonded Turntrans-78.1-12179.557.50000113.9N210 E214N210-S212 PolarHBondContact O-N 2.97Å; S212-E214 PolarHBondContact O-N 2.77Å
213A55.6Low81.5Confident16 Ų1644.3 Ų44.313%0.13224%0.244CC..  trans-91.789.8171.900000108.6A211 S215 V216A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.91Å; A213-S215 PolarHBondContact O-N 3.05Å; A213-V216 HydrophobicContact CB-CG1 3.8Å
214E66.9Low81.5Confident144 Ų14444 Ų4467%0.67325%0.246SC*.SBendtrans-58.3-33.2177.8-68.7177.717700111.9S212 L235S212-E214 PolarHBondContact O-N 2.77Å; E214-L235 PolarHBondContact O-N 2.88Å
215S80.8Confident81.5Confident26 Ų2645.8 Ų45.818%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-142.6154.9167.262.50000111.1I180 A213 I233I180-S215 WeakPolarHBondContact CG2-O 3.49Å; I180-S215 WeakPolarHBondContact CG2-OG 3.4Å; A213-S215 PolarHBondContact O-N 3.05Å; S215-I233 WeakPolarHBondContact CA-O 3.24Å; S215-I233 VanDerWaalsContact CB-O 3.29Å; S215-I233 WeakPolarHBondContact CB-O 3.47Å
216V88.9Confident81.5Confident0 Ų050.8 Ų50.80%029%0.285CS..EExtended strand (participates in β ladder)trans-128.3147170.7-63.40000109.6L162 W177 E178 L185 L206 A213 V232 I233L162-V216 HydrophobicContact CD1-CG2 3.35Å; W177-V216 HydrophobicContact CE3-CB 4.49Å; W177-V216 HydrophobicContact CE3-CG2 4.28Å; W177-V216 HydrophobicContact CZ3-CG2 4.03Å; E178-V216 WeakPolarHBondContact O-CA 3.45Å; L185-V216 HydrophobicContact CD1-CB 4.45Å; L185-V216 HydrophobicContact CD1-CG1 3.85Å; L206-V216 HydrophobicContact CD2-CB 4.42Å; L206-V216 HydrophobicContact CD2-CG1 4.32Å; L206-V216 HydrophobicContact CD2-CG2 4.38Å; A213-V216 HydrophobicContact CB-CG1 3.8Å; V216-V232 WeakPolarHBondContact O-CA 3.27Å; V216-I233 HydrophobicContact CG2-CG2 3.49Å; V216-I233 VanDerWaalsContact CG2-CG2 3.49Å; V216-I233 PolarHBondContact N-O 3.04Å; V216-I233 PolarHBondContact O-N 3.21Å
217S93.2Very high81.7Confident24 Ų2455.2 Ų55.217%0.16831%0.306CS..EExtended strand (participates in β ladder)trans-113.3134.3-178.8-55.50000109.3W177 E178 S231W177-S217 CarbonylContact C-O 3.57Å; W177-S217 VanDerWaalsContact CA-O 3.3Å; W177-S217 WeakPolarHBondContact CA-O 3.45Å; E178-S217 PolarHBondContact N-O 3.33Å; E178-S217 PolarHBondContact O-N 2.95Å; S217-S231 CarbonylContact C-O 3.56Å; S217-S231 VanDerWaalsContact CA-O 3.24Å; S217-S231 WeakPolarHBondContact CA-O 3.5Å
218C95.6Very high82.3Confident0 Ų058.6 Ų58.60%032%0.32CS..EExtended strand (participates in β ladder)trans-102.6128.1164179.20000108.6P148 I150 C164 W177 G230 S231P148-C218 WeakPolarHBondContact CG-O 3.45Å; I150-C218 HydrophobicContact CD1-CB 3.87Å; I150-C218 HydrophobicContact CG1-CB 3.92Å; C164-C218 HydrophobicContact CB-CB 3.57Å; C164-C218 WeakPolarHBondContact CB-SG 3.29Å; C164-C218 WeakPolarHBondContact SG-CB 3.12Å; C164-C218 CovalentContact SG-SG 2.02Å; C164-C218 PolarHBondContact SG-SG 2.82Å; W177-C218 HydrophobicContact CD2-CB 4.22Å; W177-C218 HydrophobicContact CE3-CB 3.89Å; W177-C218 HydrophobicContact CH2-CB 4.08Å; W177-C218 HydrophobicContact CZ2-CB 4.39Å; W177-C218 HydrophobicContact CZ3-CB 3.81Å; C218-G230 CarbonylContact O-C 3.47Å; C218-G230 VanDerWaalsContact O-CA 3.24Å; C218-G230 WeakPolarHBondContact O-CA 3.31Å; C218-S231 PolarHBondContact N-O 3.37Å; C218-S231 PolarHBondContact O-N 2.68Å
219L96.3Very high83.1Confident16 Ų1661 Ų618%0.08433%0.328CS..EExtended strand (participates in β ladder)trans-119.9137.9179.2-59.7106000110.5V175 Y176 E178V175-L219 WeakPolarHBondContact CA-O 3.45Å; Y176-L219 HydrophobicContact CD2-CB 4.04Å; Y176-L219 HydrophobicContact CD2-CD1 4Å; Y176-L219 HydrophobicContact CE2-CB 3.61Å; Y176-L219 HydrophobicContact CE2-CD1 3.82Å; Y176-L219 HydrophobicContact CE2-CD2 4.43Å; Y176-L219 HydrophobicContact CE2-CG 4.15Å; Y176-L219 PolarHBondContact N-O 3.39Å; Y176-L219 PolarHBondContact O-N 2.89Å; E178-L219 HydrophobicContact CB-CD1 3.93Å; E178-L219 HydrophobicContact CG-CD1 3.66Å; E178-L219 WeakPolarHBondContact OE2-CD1 3.2Å
220V97.3Very high84.5Confident1 Ų154 Ų541%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-120.3117.2175.6-172.10000108.3P148 A166 W169 P173 Q174 V175 E228 K229P148-V220 HydrophobicContact CB-CG2 3.91Å; P148-V220 HydrophobicContact CG-CG2 4.05Å; A166-V220 HydrophobicContact CB-CG2 3.82Å; W169-V220 HydrophobicContact CD2-CG1 3.59Å; W169-V220 HydrophobicContact CE3-CG1 3.87Å; W169-V220 HydrophobicContact CG-CG1 4.19Å; W169-V220 HydrophobicContact CH2-CB 3.89Å; W169-V220 HydrophobicContact CH2-CG1 3.82Å; W169-V220 WeakPolarHBondContact CH2-O 3.46Å; W169-V220 HydrophobicContact CZ2-CB 3.63Å; W169-V220 HydrophobicContact CZ2-CG1 3.54Å; W169-V220 HydrophobicContact CZ3-CB 4.46Å; W169-V220 HydrophobicContact CZ3-CG1 3.97Å; P173-V220 HydrophobicContact CB-CG1 3.67Å; P173-V220 HydrophobicContact CG-CG1 4.27Å; Q174-V220 CarbonylContact O-C 3.53Å; Q174-V220 WeakPolarHBondContact O-CA 3.44Å; V175-V220 HydrophobicContact CG1-CG2 4.39Å; V175-V220 HydrophobicContact CG2-CG1 4.21Å; V175-V220 HydrophobicContact CG2-CG2 4.16Å; V220-E228 CarbonylContact O-C 3.49Å; V220-E228 WeakPolarHBondContact O-CA 2.98Å; V220-E228 WeakPolarHBondContact O-CB 3.37Å; V220-K229 PolarHBondContact N-O 3.49Å; V220-K229 PolarHBondContact O-N 3.47Å
221H96.5Very high86.3Confident38 Ų3849.6 Ų49.618%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-110.2131.8-174.1169.9-109.8000111.7Q174 Y176 E228Q174-H221 HydrophobicContact CB-CB 4.27Å; Q174-H221 PolarHBondContact N-O 3.37Å; Q174-H221 PolarHBondContact O-N 3.41Å; Q174-H221 PolarHBondContact OE1-ND1 2.87Å; Y176-H221 HydrophobicContact CE1-CB 4Å; H221-E228 HydrophobicContact CB-CB 4.19Å
222N96.6Very high88.3Confident1 Ų150.1 Ų50.11%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-91.9114.5172.8-172.2-54.2000110G143 L144 W169 F170 V224 L225 T226 E227G143-N222 PolarHBondContact O-ND2 3.01Å; G143-N222 VanDerWaalsContact O-ND2 3.15Å; L144-N222 HydrophobicContact CD2-CB 4.1Å; W169-N222 HydrophobicContact CE3-CB 4.2Å; W169-N222 HydrophobicContact CZ3-CB 3.95Å; F170-N222 PolarHBondContact O-ND2 3Å; N222-V224 VanDerWaalsContact C-N 3.26Å; N222-V224 PolarHBondContact O-N 2.86Å; N222-V224 PolarHBondContact OD1-N 3.04Å; N222-L225 HydrophobicContact CB-CB 4.21Å; N222-L225 PolarHBondContact OD1-N 2.83Å; N222-T226 VanDerWaalsContact O-CA 3.3Å; N222-T226 WeakPolarHBondContact O-CA 3.38Å; N222-T226 PolarHBondContact O-N 2.98Å; N222-E227 PolarHBondContact N-O 3.3Å
223P94.1Very high89.9Confident53 Ų5347.5 Ų47.534%0.34427%0.269SS..THydrogen-bonded Turntrans-72.3-15.3-174.430.1-36.4000114.4P171P171-P223 HydrophobicContact CG-CG 4.15Å
224V93.9Very high91Very high49 Ų4950.7 Ų50.730%0.29729%0.29SS..THydrogen-bonded Turntrans-92.7-44.2179.9176.60000110.9L39 K140 A142 P171 N222 T226L39-V224 HydrophobicContact CD1-CG1 3.7Å; K140-V224 HydrophobicContact CB-CG1 4.44Å; K140-V224 HydrophobicContact CD-CG1 4.48Å; A142-V224 HydrophobicContact CB-CB 4.02Å; A142-V224 HydrophobicContact CB-CG1 3.95Å; P171-V224 HydrophobicContact CG-CG2 3.57Å; N222-V224 VanDerWaalsContact C-N 3.26Å; N222-V224 PolarHBondContact O-N 2.86Å; N222-V224 PolarHBondContact OD1-N 3.04Å; V224-T226 VanDerWaalsContact C-N 3.34Å
225L93.6Very high91Very high36 Ų3644.5 Ų44.519%0.18826%0.261CS..THydrogen-bonded Turntrans-80.9-17.9177.5-61.8175.5000112.3L39 A142 L144 N222 E227L39-L225 HydrophobicContact CD1-CD2 3.97Å; L39-L225 HydrophobicContact CD2-CD2 3.73Å; L39-L225 HydrophobicContact CG-CD2 4.22Å; A142-L225 HydrophobicContact CB-CD1 3.84Å; A142-L225 HydrophobicContact CB-CD2 3.85Å; A142-L225 HydrophobicContact CB-CG 3.56Å; L144-L225 HydrophobicContact CD1-CD1 4.26Å; L144-L225 HydrophobicContact CD2-CD1 3.66Å; L144-L225 HydrophobicContact CG-CD1 3.57Å; N222-L225 HydrophobicContact CB-CB 4.21Å; N222-L225 PolarHBondContact OD1-N 2.83Å; L225-E227 HydrophobicContact CB-CB 4.16Å; L225-E227 HydrophobicContact CB-CG 4.23Å; L225-E227 PolarHBondContact O-N 3.43Å
226T92.4Very high89.9Confident113 Ų11345.9 Ų45.969%0.69327%0.269SS*.THydrogen-bonded Turntrans54.633.4-171.959.40000112.4N222 V224N222-T226 VanDerWaalsContact O-CA 3.3Å; N222-T226 WeakPolarHBondContact O-CA 3.38Å; N222-T226 PolarHBondContact O-N 2.98Å; V224-T226 VanDerWaalsContact C-N 3.34Å
227E94.2Very high88.1Confident102 Ų10254 Ų5448%0.47731%0.308SS..EExtended strand (participates in β ladder)trans-114.9146.7179.4-74.8-172.8-136.100109.4L144 N222 L225L144-E227 VanDerWaalsContact CD1-OE2 3.23Å; L144-E227 WeakPolarHBondContact CD1-OE2 3.37Å; L144-E227 HydrophobicContact CD2-CB 3.95Å; N222-E227 PolarHBondContact N-O 3.3Å; L225-E227 HydrophobicContact CB-CB 4.16Å; L225-E227 HydrophobicContact CB-CG 4.23Å; L225-E227 PolarHBondContact O-N 3.43Å
228E94.9Very high85.8Confident105 Ų10560.9 Ų60.949%0.49133%0.334SS..EExtended strand (participates in β ladder)trans-128.7152.4178.265.8-178.1-171.200111.6Y176 V220 H221Y176-E228 PolarHBondContact OH-OE2 2.97Å; V220-E228 CarbonylContact O-C 3.49Å; V220-E228 WeakPolarHBondContact O-CA 2.98Å; V220-E228 WeakPolarHBondContact O-CB 3.37Å; H221-E228 HydrophobicContact CB-CB 4.19Å
229K95.4Very high83.5Confident72 Ų7262.4 Ų62.431%0.31334%0.343SS..EExtended strand (participates in β ladder)trans-121.3128.9167.4-66.7-176.6179.9175.50108.5G145 P148 W169 V220G145-K229 PolarHBondContact O-NZ 2.9Å; P148-K229 WeakPolarHBondContact CD-O 3.35Å; P148-K229 WeakPolarHBondContact CG-O 3.4Å; W169-K229 HydrophobicContact CH2-CB 3.93Å; W169-K229 HydrophobicContact CH2-CD 4.21Å; W169-K229 HydrophobicContact CH2-CG 3.95Å; W169-K229 HydrophobicContact CZ2-CB 3.94Å; W169-K229 HydrophobicContact CZ2-CD 4.05Å; W169-K229 HydrophobicContact CZ2-CG 4.17Å; V220-K229 PolarHBondContact N-O 3.49Å; V220-K229 PolarHBondContact O-N 3.47Å
230G94.7Very high81.1Confident45 Ų4564.7 Ų64.746%0.46435%0.353SS..EExtended strand (participates in β ladder)trans-111.7157.8178.600000112.4C218C218-G230 CarbonylContact O-C 3.47Å; C218-G230 VanDerWaalsContact O-CA 3.24Å; C218-G230 WeakPolarHBondContact O-CA 3.31Å
231S92.8Very high78.8Confident34 Ų3469.1 Ų69.124%0.23838%0.38CS..EExtended strand (participates in β ladder)trans-137.4146.3165.4-174.90000108.4P148 I150 S217 C218P148-S231 WeakPolarHBondContact O-CB 3.37Å; P148-S231 PolarHBondContact O-OG 3.34Å; I150-S231 VanDerWaalsContact CD1-O 3.27Å; I150-S231 WeakPolarHBondContact CD1-O 3.49Å; S217-S231 CarbonylContact C-O 3.56Å; S217-S231 VanDerWaalsContact CA-O 3.24Å; S217-S231 WeakPolarHBondContact CA-O 3.5Å; C218-S231 PolarHBondContact N-O 3.37Å; C218-S231 PolarHBondContact O-N 2.68Å
232V90.8Very high76.5Confident88 Ų8872.6 Ų72.653%0.53340%0.396SS..EExtended strand (participates in β ladder)trans-122.8130.5-174.9-175.10000107.7V216V216-V232 WeakPolarHBondContact O-CA 3.27Å
233I83.9Confident74.3Confident35 Ų3572.8 Ų72.818%0.17940%0.397CS..EExtended strand (participates in β ladder)trans-111.4121.1167.5-168.2166.3000108.4I150 L162 S215 V216I150-I233 HydrophobicContact CB-CB 4.33Å; I150-I233 HydrophobicContact CB-CG2 4.45Å; I150-I233 HydrophobicContact CD1-CB 4.21Å; I150-I233 HydrophobicContact CD1-CG2 4.09Å; I150-I233 HydrophobicContact CG2-CB 4.03Å; I150-I233 HydrophobicContact CG2-CD1 4.01Å; I150-I233 HydrophobicContact CG2-CG2 3.72Å; L162-I233 HydrophobicContact CD1-CG2 4.12Å; L162-I233 HydrophobicContact CD2-CD1 4.37Å; S215-I233 WeakPolarHBondContact CA-O 3.24Å; S215-I233 VanDerWaalsContact CB-O 3.29Å; S215-I233 WeakPolarHBondContact CB-O 3.47Å; V216-I233 HydrophobicContact CG2-CG2 3.49Å; V216-I233 VanDerWaalsContact CG2-CG2 3.49Å; V216-I233 PolarHBondContact N-O 3.04Å; V216-I233 PolarHBondContact O-N 3.21Å
234S77.9Confident72.3Confident82 Ų8273.6 Ų73.657%0.57341%0.408SS*.EExtended strand (participates in β ladder)trans-80125.4165.4-60.20000107.5P236S234-P236 WeakPolarHBondContact O-CD 3.43Å
235L67.5Low70.7Confident15 Ų1574.4 Ų74.48%0.07942%0.416CS..  trans-81103.3174.2-67.5178.8000107.1M152 L162 V208 E214 E237 Q240M152-L235 HydrophobicContact CE-CD2 3.93Å; L162-L235 HydrophobicContact CD1-CD2 4.29Å; L162-L235 HydrophobicContact CD2-CD2 4.27Å; V208-L235 HydrophobicContact CG1-CD1 3.99Å; V208-L235 HydrophobicContact CG2-CD1 4.49Å; E214-L235 PolarHBondContact O-N 2.88Å; L235-E237 PolarHBondContact O-N 3.36Å; L235-Q240 PolarHBondContact O-NE2 2.74Å
236P57.8Low69.7Low54 Ų5473.4 Ų73.435%0.35141%0.411SS..  trans-75.2120.7-169-10.728.2000109.8S234 K238 L239 Q240S234-P236 WeakPolarHBondContact O-CD 3.43Å; P236-K238 PolarHBondContact O-N 2.86Å; P236-K238 VanDerWaalsContact O-N 3.12Å; P236-L239 HydrophobicContact CB-CB 4.27Å; P236-L239 HydrophobicContact CB-CD1 4.21Å; P236-L239 HydrophobicContact CG-CB 4.5Å; P236-L239 HydrophobicContact CG-CD1 4.08Å; P236-L239 PolarHBondContact O-N 2.87Å; P236-Q240 PolarHBondContact O-N 2.81Å; P236-Q240 VanDerWaalsContact O-N 3.14Å; P236-Q240 PolarHBondContact O-NE2 2.96Å
237E51.6Low69.3Low171 Ų17174.5 Ų74.580%0.79941%0.406SS*.Hα-helixtrans-56.3-28.4179.4-147.1-179-169.200112.1L235 T241L235-E237 PolarHBondContact O-N 3.36Å; E237-T241 WeakPolarHBondContact O-CB 3.14Å; E237-T241 PolarHBondContact O-N 2.89Å; E237-T241 PolarHBondContact O-OG1 3.25Å
238K43.8Very low69.2Low168 Ų16870.1 Ų70.173%0.7339%0.386SS*.Hα-helixtrans-81.1-37.5-178.3-124.4176.2-179.9-177.10114.5P236 E242P236-K238 PolarHBondContact O-N 2.86Å; P236-K238 VanDerWaalsContact O-N 3.12Å; K238-E242 PolarHBondContact O-N 3.28Å
239L46.7Very low69Low33 Ų3367.4 Ų67.417%0.17338%0.375CS..Hα-helixtrans-81.3-34179.7-83.3155.1000111.9P236 T241 L243 D346P236-L239 HydrophobicContact CB-CB 4.27Å; P236-L239 HydrophobicContact CB-CD1 4.21Å; P236-L239 HydrophobicContact CG-CB 4.5Å; P236-L239 HydrophobicContact CG-CD1 4.08Å; P236-L239 PolarHBondContact O-N 2.87Å; L239-T241 VanDerWaalsContact C-N 3.26Å; L239-T241 PolarHBondContact O-N 2.87Å; L239-L243 HydrophobicContact CD2-CD1 4.2Å; L239-L243 PolarHBondContact O-N 2.88Å; L239-L243 VanDerWaalsContact O-N 3.07Å; L239-D346 HydrophobicContact CD1-CB 3.99Å; L239-D346 HydrophobicContact CD2-CB 4.24Å
240Q47.4Very low68.9Low63 Ų6364.9 Ų64.929%0.29437%0.369SS..Hα-helixtrans-61.8-34.5168.3-75.1171.774.700111.8L235 P236 A244L235-Q240 PolarHBondContact O-NE2 2.74Å; P236-Q240 PolarHBondContact O-N 2.81Å; P236-Q240 VanDerWaalsContact O-N 3.14Å; P236-Q240 PolarHBondContact O-NE2 2.96Å; Q240-A244 WeakPolarHBondContact O-CA 3.05Å; Q240-A244 WeakPolarHBondContact O-CB 3.47Å; Q240-A244 PolarHBondContact O-N 3.2Å
241T48.5Very low68.8Low95 Ų9565.1 Ų65.158%0.58336%0.363SS*.Hα-helixtrans-84.6-42.1-178.9-46.50000112.1E237 L239 S245E237-T241 WeakPolarHBondContact O-CB 3.14Å; E237-T241 PolarHBondContact O-N 2.89Å; E237-T241 PolarHBondContact O-OG1 3.25Å; L239-T241 VanDerWaalsContact C-N 3.26Å; L239-T241 PolarHBondContact O-N 2.87Å; T241-S245 WeakPolarHBondContact O-CB 3.5Å; T241-S245 PolarHBondContact O-N 2.89Å; T241-S245 VanDerWaalsContact O-N 3.12Å; T241-S245 PolarHBondContact O-OG 2.86Å
242E48.8Very low68.6Low111 Ų11169.6 Ų69.652%0.51939%0.394SS..Hα-helixtrans-73.2-53.6-179.3-74.9-169.717300112.3K238 S245 L246K238-E242 PolarHBondContact O-N 3.28Å; E242-S245 PolarHBondContact O-N 2.8Å; E242-S245 PolarHBondContact O-OG 2.82Å; E242-L246 WeakPolarHBondContact O-CD1 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 2.91Å; E242-L246 VanDerWaalsContact O-N 3.16Å
243L50.2Low68.7Low4 Ų472.7 Ų72.72%0.02140%0.403CS..Hα-helixtrans-79.5-28-180-78.2173.3000114.1L239 S245 L246 M278 K345 V348L239-L243 HydrophobicContact CD2-CD1 4.2Å; L239-L243 PolarHBondContact O-N 2.88Å; L239-L243 VanDerWaalsContact O-N 3.07Å; L243-S245 VanDerWaalsContact C-N 3.29Å; L243-L246 HydrophobicContact CD2-CD1 4.07Å; L243-L246 CarbonylContact O-C 3.6Å; L243-L246 PolarHBondContact O-N 2.77Å; L243-M278 HydrophobicContact CD2-CE 4.21Å; L243-K345 HydrophobicContact CD1-CB 4.06Å; L243-V348 HydrophobicContact CB-CG1 4.17Å; L243-V348 HydrophobicContact CD1-CB 3.77Å; L243-V348 HydrophobicContact CD1-CG1 3.75Å; L243-V348 WeakPolarHBondContact CD1-O 3.4Å
244A51.6Low69.1Low70 Ų7074.8 Ų74.858%0.57942%0.418SS*.Hα-helixtrans-77.7-16170.500000112.9Q240Q240-A244 WeakPolarHBondContact O-CA 3.05Å; Q240-A244 WeakPolarHBondContact O-CB 3.47Å; Q240-A244 PolarHBondContact O-N 3.2Å
245S60.2Low70Confident66 Ų6672.4 Ų72.446%0.46240%0.399SS..Hα-helixtrans-78.1-25.1165.176.60000112.9T241 E242 L243 P271T241-S245 WeakPolarHBondContact O-CB 3.5Å; T241-S245 PolarHBondContact O-N 2.89Å; T241-S245 VanDerWaalsContact O-N 3.12Å; T241-S245 PolarHBondContact O-OG 2.86Å; E242-S245 PolarHBondContact O-N 2.8Å; E242-S245 PolarHBondContact O-OG 2.82Å; L243-S245 VanDerWaalsContact C-N 3.29Å; S245-P271 VanDerWaalsContact O-CD 3.31Å; S245-P271 WeakPolarHBondContact O-CD 3.26Å
246L71.8Confident71.3Confident15 Ų1576.3 Ų76.38%0.07942%0.419CS..PPolyproline II helixtrans-90.1117.1179.3-67.5167.5000110.4E242 L243 L269 S270 P271 A273 Q350E242-L246 WeakPolarHBondContact O-CD1 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 2.91Å; E242-L246 VanDerWaalsContact O-N 3.16Å; L243-L246 HydrophobicContact CD2-CD1 4.07Å; L243-L246 CarbonylContact O-C 3.6Å; L243-L246 PolarHBondContact O-N 2.77Å; L246-L269 HydrophobicContact CB-CD2 4.48Å; L246-L269 HydrophobicContact CD2-CB 4.39Å; L246-S270 CarbonylContact C-O 3.56Å; L246-S270 WeakPolarHBondContact CA-O 3.44Å; L246-P271 HydrophobicContact CD2-CG 3.89Å; L246-P271 WeakPolarHBondContact CD2-O 3.48Å; L246-A273 HydrophobicContact CD1-CB 3.94Å; L246-A273 HydrophobicContact CD2-CB 3.63Å; L246-A273 HydrophobicContact CG-CB 4.48Å; L246-Q350 WeakPolarHBondContact O-CG 3.25Å
247K83.8Confident73.1Confident137 Ų13774.2 Ų74.260%0.59641%0.405SS*.EExtended strand (participates in β ladder)trans-95.9131.1171.2-64.6-175.5178.1-173.70109.3N249 L269 S270K247-N249 PolarHBondContact O-ND2 2.89Å; K247-L269 CarbonylContact O-C 3.54Å; K247-L269 WeakPolarHBondContact O-CA 3.24Å; K247-S270 PolarHBondContact N-O 3.04Å; K247-S270 PolarHBondContact O-N 2.81Å
248V92.2Very high75.2Confident10 Ų1071.5 Ų71.56%0.06139%0.388CS..EExtended strand (participates in β ladder)trans-78.6130.3163.91790000107.6C267 L269 F343 Q350 A352V248-C267 HydrophobicContact CG1-CB 4.24Å; V248-L269 HydrophobicContact CG2-CD2 3.73Å; V248-F343 HydrophobicContact CB-CD2 4.35Å; V248-F343 HydrophobicContact CG1-CD2 3.76Å; V248-F343 HydrophobicContact CG1-CE2 3.91Å; V248-F343 HydrophobicContact CG2-CB 3.82Å; V248-F343 HydrophobicContact CG2-CD2 3.54Å; V248-F343 HydrophobicContact CG2-CE2 4.34Å; V248-F343 HydrophobicContact CG2-CG 3.86Å; V248-Q350 HydrophobicContact CB-CB 4.31Å; V248-Q350 HydrophobicContact CG2-CB 3.57Å; V248-A352 HydrophobicContact CB-CB 4.43Å; V248-A352 HydrophobicContact CG1-CB 3.82Å
249N92.4Very high77.6Confident48 Ų4866 Ų6626%0.25737%0.369SS..EExtended strand (participates in β ladder)trans-122.8132.6178.7-59.7-88.6000109K247 C267 Y268 S270K247-N249 PolarHBondContact O-ND2 2.89Å; N249-C267 WeakPolarHBondContact O-CA 3Å; N249-Y268 HydrophobicContact CB-CD1 4.35Å; N249-Y268 HydrophobicContact CB-CD2 4.17Å; N249-Y268 HydrophobicContact CB-CE1 3.83Å; N249-Y268 HydrophobicContact CB-CE2 3.62Å; N249-Y268 VanDerWaalsContact CB-CZ 3.42Å; N249-Y268 PolarHBondContact N-O 2.95Å; N249-Y268 WeakPolarHBondContact O-CD1 3.42Å; N249-Y268 PolarHBondContact O-N 3.15Å; N249-S270 WeakPolarHBondContact ND2-CB 3.11Å
250G92.8Very high79.9Confident18 Ų1866.6 Ų66.619%0.18638%0.382CS..  trans-106.7179.1167.300000111.1S252G250-S252 PolarHBondContact O-N 2.9Å
251P92.1Very high82.3Confident51 Ų5168.3 Ų68.333%0.33139%0.39SS..  trans-60.4133169.521.7-26.9000110.7Q253 I255 T266 L354P251-Q253 VanDerWaalsContact C-N 3.33Å; P251-I255 HydrophobicContact CB-CG1 4.38Å; P251-I255 HydrophobicContact CG-CD1 3.69Å; P251-I255 HydrophobicContact CG-CG1 3.79Å; P251-T266 WeakPolarHBondContact CD-O 2.97Å; P251-L354 HydrophobicContact CG-CD2 3.93Å; P251-L354 HydrophobicContact CG-CG 4.43Å
252S88.7Confident84.7Confident127 Ų12767.6 Ų67.689%0.88838%0.383SS*.SBendtrans-80.1-15.5179.956.60000113.8G250G250-S252 PolarHBondContact O-N 2.9Å
253Q92.3Very high87Confident154 Ų15462.3 Ų62.372%0.7236%0.358SS*.SBendtrans-109.1150.3175.9-66.7-173-15.100109.9P251 I255P251-Q253 VanDerWaalsContact C-N 3.33Å; Q253-I255 PolarHBondContact O-N 2.02Å
254P93.8Very high89.3Confident78 Ų7867.2 Ų67.251%0.50638%0.381SS..  trans-56.4135.5174-23.333.3000111.5L256 D355 K357P254-L256 PolarHBondContact O-N 2.91Å; P254-D355 CarbonylContact C-O 3.52Å; P254-D355 VanDerWaalsContact CA-O 3.29Å; P254-D355 WeakPolarHBondContact CA-O 3.41Å; P254-D355 HydrophobicContact CB-CB 4.3Å; P254-K357 HydrophobicContact CB-CG 3.96Å
255I95.9Very high91.5Very high33 Ų3363.9 Ų63.917%0.16935%0.354CS..EExtended strand (participates in β ladder)trans-81.4115.9175.7-54.4160000106.9P251 Q253 V257 L265 L354 D355 L356 K357P251-I255 HydrophobicContact CB-CG1 4.38Å; P251-I255 HydrophobicContact CG-CD1 3.69Å; P251-I255 HydrophobicContact CG-CG1 3.79Å; Q253-I255 PolarHBondContact O-N 2.02Å; I255-V257 HydrophobicContact CG2-CG2 3.87Å; I255-L265 HydrophobicContact CD1-CD2 3.55Å; I255-L354 HydrophobicContact CD1-CB 4.41Å; I255-L354 HydrophobicContact CD1-CD2 4.18Å; I255-D355 PolarHBondContact N-O 2.93Å; I255-L356 HydrophobicContact CB-CD1 4.03Å; I255-L356 HydrophobicContact CG2-CD1 4.04Å; I255-K357 PolarHBondContact O-N 2.82Å
256L94.8Very high93.2Very high96 Ų9662.3 Ų62.350%0.50334%0.341SS..EExtended strand (participates in β ladder)trans-94.7124.1177.8-17270.5000110.1P254 K357 V359 F441 L442P254-L256 PolarHBondContact O-N 2.91Å; L256-K357 WeakPolarHBondContact CA-O 3.37Å; L256-K357 HydrophobicContact CD1-CB 4.03Å; L256-V359 HydrophobicContact CD1-CB 4.27Å; L256-V359 HydrophobicContact CD1-CG1 3.49Å; L256-V359 VanDerWaalsContact CD1-CG1 3.49Å; L256-V359 HydrophobicContact CD1-CG2 3.75Å; L256-V359 HydrophobicContact CG-CG2 4.07Å; L256-F441 HydrophobicContact CD1-CE2 4.12Å; L256-L442 HydrophobicContact CD2-CD2 4.07Å; L256-L442 HydrophobicContact CD2-CG 4.47Å
257V96.4Very high94.4Very high10 Ų1061.6 Ų61.66%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-134.9135.3-178.9-175.50000110.2I255 E261 I263 A331 L356 K357 V358 V359I255-V257 HydrophobicContact CG2-CG2 3.87Å; V257-E261 HydrophobicContact CG1-CB 3.83Å; V257-I263 HydrophobicContact CB-CG1 4.32Å; V257-I263 HydrophobicContact CG1-CG1 3.94Å; V257-I263 HydrophobicContact CG2-CG1 4.21Å; V257-A331 HydrophobicContact CG1-CB 3.85Å; V257-L356 HydrophobicContact CB-CD1 4.36Å; V257-L356 HydrophobicContact CG2-CD1 3.69Å; V257-K357 PolarHBondContact N-O 2.86Å; V257-V358 CarbonylContact O-C 3.56Å; V257-V358 VanDerWaalsContact O-CA 3.31Å; V257-V358 WeakPolarHBondContact O-CA 3.4Å; V257-V359 PolarHBondContact O-N 3.21Å
258R94.7Very high94.9Very high115 Ų11559 Ų5943%0.43432%0.324SS..EExtended strand (participates in β ladder)trans-80.2149.5175.9-58.2179.1172.8-141.5-5.8110.9G260 E261 V359 L361R258-G260 PolarHBondContact O-N 2.89Å; R258-E261 HydrophobicContact CB-CG 4.06Å; R258-E261 WeakPolarHBondContact CB-OE2 3.46Å; R258-E261 PolarHBondContact N-OE2 2.75Å; R258-E261 WeakPolarHBondContact O-CB 3.43Å; R258-E261 PolarHBondContact O-N 2.86Å; R258-V359 CarbonylContact C-O 3.31Å; R258-V359 VanDerWaalsContact CA-O 3.24Å; R258-V359 WeakPolarHBondContact CA-O 3.46Å; R258-V359 HydrophobicContact CG-CG2 4.13Å; R258-L361 VanDerWaalsContact CZ-CD1 3.4Å
259V95.3Very high94.9Very high53 Ų5358.7 Ų58.732%0.32132%0.322SS..THydrogen-bonded Turntrans-54.3128.6174174.10000109.9P333 V358 V359 L416V259-P333 HydrophobicContact CG2-CG 4.15Å; V259-V358 HydrophobicContact CG2-CG1 3.6Å; V259-V359 PolarHBondContact N-O 2.89Å; V259-L416 HydrophobicContact CG2-CD2 4.05Å
260G95.1Very high94.7Very high45 Ų4559 Ų5946%0.46433%0.329SS..THydrogen-bonded Turntrans89.9-14-177.100000115.8R258 A331R258-G260 PolarHBondContact O-N 2.89Å; G260-A331 PolarHBondContact N-O 3.32Å
261E97.2Very high94.5Very high98 Ų9861.8 Ų61.846%0.45834%0.343SS..SBendtrans-80.1160.4172.7-66179.4158.900111.6V257 R258 A331V257-E261 HydrophobicContact CG1-CB 3.83Å; R258-E261 HydrophobicContact CB-CG 4.06Å; R258-E261 WeakPolarHBondContact CB-OE2 3.46Å; R258-E261 PolarHBondContact N-OE2 2.75Å; R258-E261 WeakPolarHBondContact O-CB 3.43Å; R258-E261 PolarHBondContact O-N 2.86Å; E261-A331 WeakPolarHBondContact O-CB 3Å; E261-A331 PolarHBondContact O-N 2.82Å
262D98Very high94.3Very high80 Ų8066.1 Ų66.143%0.42836%0.357SS..PPolyproline II helixtrans-83.2132177.6-63.5-22.2000111L329 S330D262-L329 VanDerWaalsContact OD1-CA 3.29Å; D262-L329 WeakPolarHBondContact OD1-CA 3.46Å; D262-S330 PolarHBondContact OD1-N 2.96Å
263I98.2Very high94.3Very high0 Ų061.3 Ų61.30%033%0.325CS..EExtended strand (participates in β ladder)trans-84.3139.8179.5-59.7154000109V257 L265 Q327 I328 A331 D335 L356V257-I263 HydrophobicContact CB-CG1 4.32Å; V257-I263 HydrophobicContact CG1-CG1 3.94Å; V257-I263 HydrophobicContact CG2-CG1 4.21Å; I263-L265 HydrophobicContact CG2-CD2 3.65Å; I263-L265 HydrophobicContact CG2-CG 3.84Å; I263-Q327 CarbonylContact O-C 3.52Å; I263-Q327 WeakPolarHBondContact O-CA 3.35Å; I263-I328 HydrophobicContact CB-CB 4.09Å; I263-I328 HydrophobicContact CD1-CB 4.04Å; I263-I328 HydrophobicContact CD1-CG2 4.3Å; I263-I328 PolarHBondContact N-O 2.69Å; I263-I328 PolarHBondContact O-N 2.83Å; I263-A331 HydrophobicContact CD1-CB 3.79Å; I263-A331 HydrophobicContact CG1-CB 3.8Å; I263-D335 HydrophobicContact CD1-CB 3.95Å; I263-L356 HydrophobicContact CD1-CD2 3.67Å; I263-L356 HydrophobicContact CG1-CD1 4.35Å; I263-L356 HydrophobicContact CG1-CD2 4.07Å; I263-L356 HydrophobicContact CG2-CD1 3.65Å; I263-L356 HydrophobicContact CG2-CD2 3.82Å; I263-L356 HydrophobicContact CG2-CG 4.41Å
264Q97.5Very high94.1Very high108 Ų10857.6 Ų57.651%0.50531%0.31SS..EExtended strand (participates in β ladder)trans-121.7108.9172.9-58-1699.800111.2T325 Q327Q264-T325 HydrophobicContact CB-CG2 3.98Å; Q264-Q327 HydrophobicContact CG-CG 4.32Å
265L97.4Very high93.9Very high0 Ų053.9 Ų53.90%029%0.286CS..EExtended strand (participates in β ladder)trans-102.693.4177.7-57.1-175.5000109.1I255 I263 W282 L326 I328 Y339 L354I255-L265 HydrophobicContact CD1-CD2 3.55Å; I263-L265 HydrophobicContact CG2-CD2 3.65Å; I263-L265 HydrophobicContact CG2-CG 3.84Å; L265-W282 PolarHBondContact O-NE1 2.82Å; L265-L326 HydrophobicContact CB-CB 4.32Å; L265-L326 HydrophobicContact CD1-CD2 4.47Å; L265-L326 PolarHBondContact N-O 3.25Å; L265-L326 PolarHBondContact O-N 3.08Å; L265-I328 HydrophobicContact CD1-CD1 3.94Å; L265-Y339 HydrophobicContact CD1-CD1 3.43Å; L265-Y339 VanDerWaalsContact CD1-CD1 3.43Å; L265-Y339 HydrophobicContact CD1-CD2 4.18Å; L265-Y339 HydrophobicContact CD1-CE1 3.78Å; L265-Y339 HydrophobicContact CD1-CG 3.66Å; L265-L354 HydrophobicContact CB-CD2 4.06Å; L265-L354 HydrophobicContact CD2-CD2 4.35Å
266T96.9Very high93.5Very high32 Ų3257 Ų5720%0.19630%0.299CS..EExtended strand (participates in β ladder)trans-96.8131.8-176.4-56.70000111.5P251 R323 T325P251-T266 WeakPolarHBondContact CD-O 2.97Å; T266-R323 HydrophobicContact CG2-CG 4.24Å; T266-T325 WeakPolarHBondContact CB-OG1 3.44Å; T266-T325 VanDerWaalsContact CG2-OG1 3.3Å; T266-T325 WeakPolarHBondContact CG2-OG1 3.46Å; T266-T325 VanDerWaalsContact OG1-CG2 3.26Å; T266-T325 WeakPolarHBondContact OG1-CG2 3.49Å; T266-T325 PolarHBondContact OG1-OG1 3.29Å
267C96.4Very high92.9Very high0 Ų055.8 Ų55.80%030%0.299CS..EExtended strand (participates in β ladder)trans-130.7152169.7-70.90000111.9V248 N249 L324 C341 F343V248-C267 HydrophobicContact CG1-CB 4.24Å; N249-C267 WeakPolarHBondContact O-CA 3Å; C267-L324 PolarHBondContact N-O 2.83Å; C267-L324 PolarHBondContact O-N 3.21Å; C267-L324 VanDerWaalsContact O-O 3.09Å; C267-C341 HydrophobicContact CB-CB 3.7Å; C267-C341 WeakPolarHBondContact CB-SG 3.29Å; C267-C341 WeakPolarHBondContact SG-CB 3.42Å; C267-C341 CovalentContact SG-SG 2Å; C267-C341 PolarHBondContact SG-SG 2.92Å; C267-F343 HydrophobicContact CB-CE2 3.85Å; C267-F343 HydrophobicContact CB-CZ 4.4Å
268Y94.9Very high92.5Very high83 Ų8355.7 Ų55.733%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-146.8150.1179.764-87000113.7N249 G322N249-Y268 HydrophobicContact CB-CD1 4.35Å; N249-Y268 HydrophobicContact CB-CD2 4.17Å; N249-Y268 HydrophobicContact CB-CE1 3.83Å; N249-Y268 HydrophobicContact CB-CE2 3.62Å; N249-Y268 VanDerWaalsContact CB-CZ 3.42Å; N249-Y268 PolarHBondContact N-O 2.95Å; N249-Y268 WeakPolarHBondContact O-CD1 3.42Å; N249-Y268 PolarHBondContact O-N 3.15Å; Y268-G322 CarbonylContact C-O 3.37Å; Y268-G322 WeakPolarHBondContact CA-O 3.22Å
269L92.3Very high92.2Very high3 Ų352 Ų522%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-78.5141.3173-62.8175.1000111.5L246 K247 V248 P271 A273 A275 M278 G322 F343L246-L269 HydrophobicContact CB-CD2 4.48Å; L246-L269 HydrophobicContact CD2-CB 4.39Å; K247-L269 CarbonylContact O-C 3.54Å; K247-L269 WeakPolarHBondContact O-CA 3.24Å; V248-L269 HydrophobicContact CG2-CD2 3.73Å; L269-P271 CarbonylContact C-O 3.47Å; L269-P271 VanDerWaalsContact C-O 3.28Å; L269-A273 HydrophobicContact CD1-CB 4.12Å; L269-A275 HydrophobicContact CD1-CB 4.21Å; L269-M278 HydrophobicContact CD1-CE 4.07Å; L269-M278 HydrophobicContact CD1-SD 3.92Å; L269-G322 PolarHBondContact N-O 3.25Å; L269-F343 HydrophobicContact CD1-CD1 3.96Å; L269-F343 HydrophobicContact CD1-CE1 4.21Å; L269-F343 HydrophobicContact CD2-CB 4.16Å; L269-F343 HydrophobicContact CD2-CD1 3.75Å; L269-F343 HydrophobicContact CD2-CE1 4.23Å; L269-F343 HydrophobicContact CD2-CG 3.91Å; L269-F343 HydrophobicContact CG-CD1 3.83Å; L269-F343 HydrophobicContact CG-CE1 3.89Å; L269-F343 HydrophobicContact CG-CG 4.46Å
270S87.9Confident92Very high56 Ų5649.4 Ų49.439%0.39227%0.27SS..EExtended strand (participates in β ladder)trans-134.5117.8172.5-175.10000110.3L246 K247 N249L246-S270 CarbonylContact C-O 3.56Å; L246-S270 WeakPolarHBondContact CA-O 3.44Å; K247-S270 PolarHBondContact N-O 3.04Å; K247-S270 PolarHBondContact O-N 2.81Å; N249-S270 WeakPolarHBondContact ND2-CB 3.11Å
271P88.3Confident91.9Very high75 Ų7547.3 Ų47.349%0.48725%0.248SC..SBendcis-62.7165.5-1.627.4-35.7000113.6S245 L246 L269 A273S245-P271 VanDerWaalsContact O-CD 3.31Å; S245-P271 WeakPolarHBondContact O-CD 3.26Å; L246-P271 HydrophobicContact CD2-CG 3.89Å; L246-P271 WeakPolarHBondContact CD2-O 3.48Å; L269-P271 CarbonylContact C-O 3.47Å; L269-P271 VanDerWaalsContact C-O 3.28Å; P271-A273 PolarHBondContact O-N 2.89Å
272K89.3Confident91.8Very high142 Ų14242.7 Ų42.762%0.61723%0.227SC*.  trans-58.7131.6176.8-68.2-174.1175.5-162.60110.1E321K272-E321 HydrophobicContact CD-CB 4.14Å; K272-E321 HydrophobicContact CD-CG 4.39Å; K272-E321 IonicContact NZ-OE1 2.76Å; K272-E321 PolarHBondContact NZ-OE1 3Å; K272-E321 IonicContact NZ-OE2 3.29Å; K272-E321 PolarHBondContact NZ-OE2 3.21Å
273A87.3Confident91.5Very high26 Ų2638.9 Ų38.922%0.21521%0.206CC..  trans-151.5149.9179.800000110.6L246 L269 P271 A275 E321 G322L246-A273 HydrophobicContact CD1-CB 3.94Å; L246-A273 HydrophobicContact CD2-CB 3.63Å; L246-A273 HydrophobicContact CG-CB 4.48Å; L269-A273 HydrophobicContact CD1-CB 4.12Å; P271-A273 PolarHBondContact O-N 2.89Å; A273-A275 PolarHBondContact O-N 3.14Å; A273-E321 PolarHBondContact N-O 2.94Å; A273-E321 CarbonylContact O-C 3.59Å; A273-E321 VanDerWaalsContact O-C 3.26Å; A273-G322 WeakPolarHBondContact O-CA 3.45Å; A273-G322 PolarHBondContact O-N 3.47Å
274N87.7Confident91Very high76 Ų7641.1 Ų41.141%0.40622%0.215SC..  trans-70.3124.8-178.8-174.1-18.7000111.1Q276 D320N274-Q276 PolarHBondContact ND2-OE1 2.8Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.46Å; N274-Q276 WeakPolarHBondContact OD1-CG 3.27Å; N274-Q276 PolarHBondContact OD1-N 3.09Å; N274-D320 VanDerWaalsContact CA-O 3.23Å; N274-D320 WeakPolarHBondContact CA-O 3.5Å; N274-D320 PolarHBondContact N-O 2.85Å
275A89.7Confident89.9Confident0 Ų040.3 Ų40.30%022%0.221CC..  trans-1058.9-179.700000114.1L269 A273 S277 M278 I319 L324 F343L269-A275 HydrophobicContact CD1-CB 4.21Å; A273-A275 PolarHBondContact O-N 3.14Å; A275-S277 VanDerWaalsContact C-N 3.31Å; A275-S277 PolarHBondContact O-N 3.08Å; A275-M278 HydrophobicContact CB-CB 4.45Å; A275-M278 HydrophobicContact CB-CG 4.4Å; A275-M278 HydrophobicContact CB-SD 3.98Å; A275-M278 WeakPolarHBondContact O-CB 3.3Å; A275-M278 PolarHBondContact O-N 3.19Å; A275-M278 VanDerWaalsContact O-N 3.11Å; A275-I319 HydrophobicContact CB-CG1 4.11Å; A275-I319 PolarHBondContact N-O 3.42Å; A275-L324 HydrophobicContact CB-CD1 3.98Å; A275-F343 HydrophobicContact CB-CD1 4.07Å; A275-F343 HydrophobicContact CB-CE1 3.87Å
276Q88.6Confident88.6Confident98 Ų9847.1 Ų47.146%0.45825%0.253SS..THydrogen-bonded Turntrans-60.5-38.5-176.9-75.3174.3-25.400113.4N274 M278 Y294 I319N274-Q276 PolarHBondContact ND2-OE1 2.8Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.46Å; N274-Q276 WeakPolarHBondContact OD1-CG 3.27Å; N274-Q276 PolarHBondContact OD1-N 3.09Å; Q276-M278 VanDerWaalsContact C-N 3.31Å; Q276-Y294 PolarHBondContact O-OH 3.04Å; Q276-I319 HydrophobicContact CG-CB 4.38Å; Q276-I319 HydrophobicContact CG-CD1 4.11Å; Q276-I319 HydrophobicContact CG-CG1 3.98Å; Q276-I319 HydrophobicContact CG-CG2 3.58Å
277S82.9Confident87.1Confident71 Ų7148.9 Ų48.950%0.49726%0.255SS..THydrogen-bonded Turntrans-95.522.6178.175.30000112.5A275A275-S277 VanDerWaalsContact C-N 3.31Å; A275-S277 PolarHBondContact O-N 3.08Å
278M86.9Confident86.1Confident9 Ų954.8 Ų54.84%0.04428%0.279CS..SBendtrans-109.2149.1175.4-61.9-175176.800108.8L243 L269 A275 Q276 V280 Y294 F343 E344 K345L243-M278 HydrophobicContact CD2-CE 4.21Å; L269-M278 HydrophobicContact CD1-CE 4.07Å; L269-M278 HydrophobicContact CD1-SD 3.92Å; A275-M278 HydrophobicContact CB-CB 4.45Å; A275-M278 HydrophobicContact CB-CG 4.4Å; A275-M278 HydrophobicContact CB-SD 3.98Å; A275-M278 WeakPolarHBondContact O-CB 3.3Å; A275-M278 PolarHBondContact O-N 3.19Å; A275-M278 VanDerWaalsContact O-N 3.11Å; Q276-M278 VanDerWaalsContact C-N 3.31Å; M278-V280 HydrophobicContact CB-CG2 4.43Å; M278-Y294 WeakPolarHBondContact O-CE1 3.16Å; M278-F343 HydrophobicContact SD-CB 4.47Å; M278-F343 HydrophobicContact SD-CD1 4.15Å; M278-E344 CarbonylContact C-O 3.54Å; M278-E344 WeakPolarHBondContact CA-O 3.34Å; M278-E344 WeakPolarHBondContact CB-O 3.39Å; M278-K345 HydrophobicContact CE-CD 4.34Å; M278-K345 HydrophobicContact CG-CB 4.2Å; M278-K345 HydrophobicContact CG-CD 4.41Å
279E88.6Confident85.4Confident36 Ų3654.4 Ų54.417%0.16829%0.287CS..EExtended strand (participates in β ladder)trans-77.4128.3161.5-172.6-165118.100108.1R281 V293 Y294 M295 E344E279-R281 IonicContact OE1-CZ 3.14Å; E279-R281 IonicContact OE1-NE 3.83Å; E279-R281 PolarHBondContact OE1-NE 2.75Å; E279-R281 IonicContact OE1-NH2 3.78Å; E279-R281 PolarHBondContact OE1-NH2 2.86Å; E279-V293 HydrophobicContact CG-CG1 4.09Å; E279-Y294 CarbonylContact C-O 3.57Å; E279-Y294 WeakPolarHBondContact CA-O 3.35Å; E279-Y294 WeakPolarHBondContact CG-O 3.24Å; E279-M295 HydrophobicContact CB-CG 4.49Å; E279-M295 HydrophobicContact CG-CB 4.46Å; E279-M295 HydrophobicContact CG-CG 4.43Å; E279-E344 HydrophobicContact CB-CB 4.27Å; E279-E344 PolarHBondContact N-O 2.81Å; E279-E344 PolarHBondContact O-N 3.02Å
280V91.7Very high85.2Confident0 Ų054.3 Ų54.30%029%0.286CS..EExtended strand (participates in β ladder)trans-122.4125.1176.1-171.30000109.2M278 W282 Y294 L324 L342 F343M278-V280 HydrophobicContact CB-CG2 4.43Å; V280-W282 HydrophobicContact CB-CZ3 4.41Å; V280-W282 HydrophobicContact CG1-CE3 4.41Å; V280-W282 HydrophobicContact CG1-CH2 3.68Å; V280-W282 HydrophobicContact CG1-CZ3 3.62Å; V280-Y294 HydrophobicContact CB-CD1 4.18Å; V280-Y294 HydrophobicContact CG2-CD1 4.1Å; V280-Y294 PolarHBondContact N-O 2.86Å; V280-Y294 PolarHBondContact O-N 3.37Å; V280-L324 HydrophobicContact CB-CD2 4.19Å; V280-L324 HydrophobicContact CG1-CD1 4.41Å; V280-L324 HydrophobicContact CG1-CD2 4.25Å; V280-L324 HydrophobicContact CG2-CD1 4.07Å; V280-L324 HydrophobicContact CG2-CD2 4.09Å; V280-L342 VanDerWaalsContact CA-O 3.32Å; V280-L342 WeakPolarHBondContact CA-O 3.29Å; V280-F343 HydrophobicContact CG1-CD1 4.48Å; V280-F343 HydrophobicContact CG1-CD2 4.16Å; V280-F343 HydrophobicContact CG1-CE1 4.28Å; V280-F343 HydrophobicContact CG1-CE2 3.91Å; V280-F343 HydrophobicContact CG1-CG 4.44Å; V280-F343 HydrophobicContact CG1-CZ 3.98Å; V280-F343 HydrophobicContact CG2-CD1 3.83Å; V280-F343 HydrophobicContact CG2-CE1 3.94Å; V280-F343 HydrophobicContact CG2-CG 4.3Å; V280-F343 HydrophobicContact CG2-CZ 4.47Å
281R92Very high85.4Confident1 Ų151.6 Ų51.60%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-131.9143.4-172.1167.5167.931.3-174.7-11111.5E279 R287 Y288 A290 H292 V293 C341 L342 E344E279-R281 IonicContact OE1-CZ 3.14Å; E279-R281 IonicContact OE1-NE 3.83Å; E279-R281 PolarHBondContact OE1-NE 2.75Å; E279-R281 IonicContact OE1-NH2 3.78Å; E279-R281 PolarHBondContact OE1-NH2 2.86Å; R281-R287 PolarHBondContact NH1-O 3.38Å; R281-Y288 PolarHBondContact NH1-OH 2.9Å; R281-Y288 VanDerWaalsContact NH1-OH 3.08Å; R281-A290 HydrophobicContact CG-CB 3.84Å; R281-H292 WeakPolarHBondContact CA-O 3.23Å; R281-V293 HydrophobicContact CG-CG2 4.3Å; R281-C341 CarbonylContact O-C 3.57Å; R281-C341 VanDerWaalsContact O-CA 3.28Å; R281-C341 WeakPolarHBondContact O-CA 3.31Å; R281-L342 HydrophobicContact CB-CB 4.49Å; R281-L342 HydrophobicContact CG-CD1 4.41Å; R281-L342 PolarHBondContact N-O 2.8Å; R281-L342 PolarHBondContact O-N 2.89Å; R281-E344 IonicContact NH2-OE2 2.68Å; R281-E344 PolarHBondContact NH2-OE2 2.8Å; R281-E344 VanDerWaalsContact NH2-OE2 3.16Å
282W95.6Very high85.6Confident0 Ų048.5 Ų48.50%025%0.246CC..EExtended strand (participates in β ladder)trans-111.4128.3164-73.3-103.6000109.4L265 V280 V291 H292 L314 L324 L326 R340 C341L265-W282 PolarHBondContact O-NE1 2.82Å; V280-W282 HydrophobicContact CB-CZ3 4.41Å; V280-W282 HydrophobicContact CG1-CE3 4.41Å; V280-W282 HydrophobicContact CG1-CH2 3.68Å; V280-W282 HydrophobicContact CG1-CZ3 3.62Å; W282-V291 HydrophobicContact CB-CB 4.17Å; W282-V291 WeakPolarHBondContact O-CA 3.35Å; W282-V291 VanDerWaalsContact O-CB 3.31Å; W282-V291 WeakPolarHBondContact O-CB 3.46Å; W282-V291 PolarHBondContact O-N 3.43Å; W282-H292 PolarHBondContact N-O 2.81Å; W282-H292 PolarHBondContact O-N 3.13Å; W282-L314 HydrophobicContact CH2-CD1 3.72Å; W282-L314 HydrophobicContact CZ3-CD1 3.65Å; W282-L324 HydrophobicContact CH2-CB 3.75Å; W282-L324 HydrophobicContact CZ2-CB 4.36Å; W282-L326 HydrophobicContact CB-CD2 3.53Å; W282-L326 HydrophobicContact CD2-CB 3.59Å; W282-L326 HydrophobicContact CD2-CD2 3.77Å; W282-L326 HydrophobicContact CD2-CG 4.28Å; W282-L326 VanDerWaalsContact CE2-CB 3.5Å; W282-L326 HydrophobicContact CE3-CB 3.97Å; W282-L326 HydrophobicContact CE3-CD2 4.21Å; W282-L326 HydrophobicContact CG-CB 4.02Å; W282-L326 HydrophobicContact CG-CD2 3.45Å; W282-L326 VanDerWaalsContact CG-CD2 3.45Å; W282-L326 HydrophobicContact CG-CG 4.38Å; W282-L326 HydrophobicContact CH2-CB 4.2Å; W282-L326 HydrophobicContact CZ2-CB 3.83Å; W282-L326 HydrophobicContact CZ3-CB 4.26Å; W282-R340 CarbonylContact C-O 3.51Å; W282-R340 VanDerWaalsContact CA-O 3.22Å; W282-R340 WeakPolarHBondContact CA-O 3.3Å; W282-C341 HydrophobicContact CG-CB 4.46Å
283D91.5Very high85.7Confident1 Ų141.8 Ų41.81%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-130.6169.9174.976.247.6000112.5H286 Y339 R340 L342D283-H286 WeakPolarHBondContact CB-O 3.19Å; D283-Y339 CarbonylContact O-C 3.52Å; D283-Y339 WeakPolarHBondContact O-CA 3.12Å; D283-R340 PolarHBondContact N-O 2.71Å; D283-R340 PolarHBondContact O-N 3.01Å; D283-R340 IonicContact OD1-CZ 3.83Å; D283-R340 VanDerWaalsContact OD1-CZ 3.3Å; D283-R340 IonicContact OD1-NE 3.66Å; D283-R340 PolarHBondContact OD1-NE 3.22Å; D283-R340 IonicContact OD1-NH2 3.99Å; D283-R340 PolarHBondContact OD1-NH2 3.49Å; D283-R340 IonicContact OD2-NE 2.87Å; D283-R340 IonicContact OD2-NH2 2.77Å; D283-L342 WeakPolarHBondContact OD2-CD1 3.39Å
284R88.6Confident85.7Confident47 Ų4741.6 Ų41.618%0.17721%0.211CC..SBendtrans-99.4-96.2177.4-63.8-81.3-88.5163.8-10.6108.9V291 M305 Y308 S334 D335 D336 Q338 Y339R284-V291 HydrophobicContact CG-CG2 3.68Å; R284-M305 HydrophobicContact CG-SD 4.36Å; R284-Y308 PolarHBondContact NE-OH 2.77Å; R284-S334 PolarHBondContact NH2-O 2.68Å; R284-D335 PolarHBondContact NH1-O 3.09Å; R284-D335 PolarHBondContact NH2-O 3.3Å; R284-D336 PolarHBondContact NH1-O 3.48Å; R284-D336 VanDerWaalsContact NH1-O 3.15Å; R284-D336 PolarHBondContact NH2-O 2.83Å; R284-Q338 PolarHBondContact NH1-O 3.16Å; R284-Q338 VanDerWaalsContact NH1-O 3.13Å; R284-Y339 VanDerWaalsContact CD-CE1 3.45Å; R284-Y339 HydrophobicContact CG-CE1 4.39Å
285S74.1Confident85.5Confident90 Ų9041.9 Ų41.963%0.62921%0.211SC*.SBendtrans-100-29.1-176.4-50.30000113.5R340S285-R340 PolarHBondContact O-NH2 3.09Å
286H69.4Low84.5Confident144 Ų14447.6 Ų47.667%0.66724%0.241SC*.SBendtrans-127.7152.8-179.1-57.5-67.7000110.5D283 Y288D283-H286 WeakPolarHBondContact CB-O 3.19Å; H286-Y288 VanDerWaalsContact C-N 3.27Å; H286-Y288 PolarHBondContact O-N 3.22Å
287R65.9Low83.1Confident68 Ų6845.2 Ų45.226%0.25724%0.243SC..SBendtrans-66.6-25.9-176.9-177.4174-109.7-130.5-13.8113.4R281 E344 Y349R281-R287 PolarHBondContact NH1-O 3.38Å; R287-E344 IonicContact CZ-OE2 2.73Å; R287-E344 VanDerWaalsContact CZ-OE2 3.29Å; R287-E344 IonicContact NH1-OE1 3.78Å; R287-E344 IonicContact NH1-OE2 3.63Å; R287-E344 PolarHBondContact NH1-OE2 2.8Å; R287-E344 VanDerWaalsContact NH1-OE2 3.11Å; R287-E344 IonicContact NH2-OE2 3.5Å; R287-E344 PolarHBondContact NH2-OE2 3.43Å; R287-Y349 VanDerWaalsContact NH2-CG 3.34Å
288Y74.7Confident82.1Confident124 Ų12447.9 Ų47.949%0.48625%0.252SS..SBendtrans-140.7141.9177.1-60.7-75.5000112R281 H286 E303R281-Y288 PolarHBondContact NH1-OH 2.9Å; R281-Y288 VanDerWaalsContact NH1-OH 3.08Å; H286-Y288 VanDerWaalsContact C-N 3.27Å; H286-Y288 PolarHBondContact O-N 3.22Å; Y288-E303 WeakPolarHBondContact CE1-OE2 3.47Å
289P80.6Confident80.9Confident76 Ų7651.7 Ų51.749%0.49427%0.27SS..SBendcis-67.1156.2-16.728.9-33.6000111.9E303 M305P289-E303 WeakPolarHBondContact CB-O 3.18Å; P289-M305 HydrophobicContact CB-CG 3.93Å; P289-M305 HydrophobicContact CG-CG 3.8Å; P289-M305 WeakPolarHBondContact O-CG 3.34Å
290A88.4Confident79.9Confident0 Ų052 Ų520%027%0.274CS..BIsolated β-bridgetrans-100.8162-174.200000113.1R281 V293 E303 Q304 M305R281-A290 HydrophobicContact CG-CB 3.84Å; A290-V293 HydrophobicContact CB-CG2 3.66Å; A290-E303 PolarHBondContact N-O 2.86Å; A290-Q304 WeakPolarHBondContact O-CA 3.39Å; A290-M305 WeakPolarHBondContact O-CB 3.42Å; A290-M305 WeakPolarHBondContact O-CG 3.39Å; A290-M305 PolarHBondContact O-N 3.15Å
291V92.3Very high78.5Confident0 Ų054.8 Ų54.80%030%0.297CS..SBendtrans-67.8-43174.2-1790000110.2W282 R284 Q304 M305 Y308 T312 L326 I328 Y339W282-V291 HydrophobicContact CB-CB 4.17Å; W282-V291 WeakPolarHBondContact O-CA 3.35Å; W282-V291 VanDerWaalsContact O-CB 3.31Å; W282-V291 WeakPolarHBondContact O-CB 3.46Å; W282-V291 PolarHBondContact O-N 3.43Å; R284-V291 HydrophobicContact CG-CG2 3.68Å; V291-Q304 VanDerWaalsContact O-CG 3.23Å; V291-Q304 WeakPolarHBondContact O-CG 3.36Å; V291-Q304 PolarHBondContact O-NE2 2.82Å; V291-M305 HydrophobicContact CG2-SD 4.14Å; V291-Y308 HydrophobicContact CB-CD2 4.34Å; V291-Y308 HydrophobicContact CB-CE2 4.44Å; V291-Y308 HydrophobicContact CG1-CD1 3.76Å; V291-Y308 HydrophobicContact CG1-CD2 3.97Å; V291-Y308 HydrophobicContact CG1-CE1 3.94Å; V291-Y308 HydrophobicContact CG1-CE2 4.15Å; V291-Y308 HydrophobicContact CG1-CG 3.77Å; V291-Y308 HydrophobicContact CG2-CD2 4.24Å; V291-Y308 HydrophobicContact CG2-CE2 3.89Å; V291-T312 HydrophobicContact CG1-CG2 4.48Å; V291-L326 HydrophobicContact CG1-CD2 3.87Å; V291-I328 HydrophobicContact CG1-CD1 3.96Å; V291-Y339 HydrophobicContact CG1-CE1 4.28Å; V291-Y339 HydrophobicContact CG2-CD1 4.11Å; V291-Y339 HydrophobicContact CG2-CE1 3.95Å
292H92.6Very high77.3Confident9 Ų958 Ų584%0.04233%0.33CS..EExtended strand (participates in β ladder)trans-158.4145.8175.6-165.692.6000110.2R281 W282 H299 T312 L326R281-H292 WeakPolarHBondContact CA-O 3.23Å; W282-H292 PolarHBondContact N-O 2.81Å; W282-H292 PolarHBondContact O-N 3.13Å; H292-H299 AromaticContact CE1-CD2 3.42Å; H292-H299 PolarHBondContact CE1-CD2 3.02Å; H292-H299 VanDerWaalsContact CE1-CD2 3.42Å; H292-H299 AromaticContact CE1-NE2 3.96Å; H292-H299 AromaticContact ND1-CD2 3.95Å; H292-H299 AromaticContact NE2-CD2 3.83Å; H292-T312 WeakPolarHBondContact ND1-CB 3.44Å; H292-T312 PolarHBondContact ND1-OG1 3.43Å; H292-L326 HydrophobicContact CB-CD1 3.59Å; H292-L326 HydrophobicContact CB-CD2 3.81Å; H292-L326 HydrophobicContact CB-CG 4.36Å
293V89.8Confident76.3Confident2 Ų261.5 Ų61.51%0.01235%0.346CS..EExtended strand (participates in β ladder)trans-132.3130.5175.8-173.80000108.9E279 R281 A290 E303E279-V293 HydrophobicContact CG-CG1 4.09Å; R281-V293 HydrophobicContact CG-CG2 4.3Å; A290-V293 HydrophobicContact CB-CG2 3.66Å; V293-E303 HydrophobicContact CG2-CB 4.41Å
294Y88.3Confident76Confident22 Ų2261.8 Ų61.89%0.08635%0.348CS..EExtended strand (participates in β ladder)trans-111.7128.6169.5167.3-92.7000108.5Q276 M278 E279 V280 G297 L314 I319Q276-Y294 PolarHBondContact O-OH 3.04Å; M278-Y294 WeakPolarHBondContact O-CE1 3.16Å; E279-Y294 CarbonylContact C-O 3.57Å; E279-Y294 WeakPolarHBondContact CA-O 3.35Å; E279-Y294 WeakPolarHBondContact CG-O 3.24Å; V280-Y294 HydrophobicContact CB-CD1 4.18Å; V280-Y294 HydrophobicContact CG2-CD1 4.1Å; V280-Y294 PolarHBondContact N-O 2.86Å; V280-Y294 PolarHBondContact O-N 3.37Å; Y294-G297 PolarHBondContact OH-N 3.07Å; Y294-L314 HydrophobicContact CD2-CD2 3.41Å; Y294-L314 VanDerWaalsContact CD2-CD2 3.41Å; Y294-L314 HydrophobicContact CE2-CD2 4.28Å; Y294-L314 HydrophobicContact CG-CD2 3.77Å; Y294-I319 HydrophobicContact CE1-CD1 3.77Å; Y294-I319 HydrophobicContact CE2-CD1 4.25Å; Y294-I319 WeakPolarHBondContact OH-CD1 3.42Å
295M82.9Confident75.9Confident82 Ų8261.1 Ų61.140%0.40435%0.347SS..EExtended strand (participates in β ladder)trans-145.3128.7176.4-163.8179.695.800109.8E279 G297 D298 V300E279-M295 HydrophobicContact CB-CG 4.49Å; E279-M295 HydrophobicContact CG-CB 4.46Å; E279-M295 HydrophobicContact CG-CG 4.43Å; M295-G297 PolarHBondContact O-N 3.09Å; M295-D298 PolarHBondContact N-O 2.89Å; M295-D298 VanDerWaalsContact N-O 3.16Å; M295-D298 PolarHBondContact O-N 3.35Å; M295-D298 VanDerWaalsContact O-O 3.09Å; M295-V300 HydrophobicContact CB-CG2 4.02Å
296D69Low76.6Confident119 Ų11960 Ų6064%0.63634%0.344SS*.THydrogen-bonded Turntrans48.634.6173.1-67.3-31.7000116
297G60.4Low77.6Confident49 Ų4957.9 Ų57.951%0.50533%0.334SS..THydrogen-bonded Turntrans88-1.5178.400000115.3Y294 M295Y294-G297 PolarHBondContact OH-N 3.07Å; M295-G297 PolarHBondContact O-N 3.09Å
298D61Low78.9Confident127 Ų12754.9 Ų54.968%0.67932%0.323SS*.EExtended strand (participates in β ladder)trans-123.3154.6-179.7-85.4-34.5000113.2M295M295-D298 PolarHBondContact N-O 2.89Å; M295-D298 VanDerWaalsContact N-O 3.16Å; M295-D298 PolarHBondContact O-N 3.35Å; M295-D298 VanDerWaalsContact O-O 3.09Å
299H62.4Low79.6Confident89 Ų8955.7 Ų55.741%0.41233%0.325SS..EExtended strand (participates in β ladder)trans-85128.7173.4169.1-108.6000110.6H292 A301H292-H299 AromaticContact CE1-CD2 3.42Å; H292-H299 PolarHBondContact CE1-CD2 3.02Å; H292-H299 VanDerWaalsContact CE1-CD2 3.42Å; H292-H299 AromaticContact CE1-NE2 3.96Å; H292-H299 AromaticContact ND1-CD2 3.95Å; H292-H299 AromaticContact NE2-CD2 3.83Å; H299-A301 PolarHBondContact O-N 3.14Å
300V67.8Low80.1Confident42 Ų4255.8 Ų55.826%0.25534%0.339SS..  trans-97.588.1179.9-170.90000110.5M295 G302 E303M295-V300 HydrophobicContact CB-CG2 4.02Å; V300-G302 VanDerWaalsContact C-N 3.26Å; V300-G302 PolarHBondContact O-N 2.77Å; V300-E303 HydrophobicContact CG1-CG 4.2Å; V300-E303 PolarHBondContact O-N 2.8Å
301A61.6Low80.4Confident59 Ų5956.6 Ų56.649%0.48834%0.343SS..G310 helixtrans-64.1-23.5-174.900000115.2H299 E303H299-A301 PolarHBondContact O-N 3.14Å; A301-E303 VanDerWaalsContact C-N 3.27Å; A301-E303 PolarHBondContact O-N 3.11Å
302G66.9Low80.5Confident68 Ų6857.6 Ų57.670%0.70135%0.349SS*.G310 helixtrans-67.2-24.2-17700000114.5V300V300-G302 VanDerWaalsContact C-N 3.26Å; V300-G302 PolarHBondContact O-N 2.77Å
303E74.4Confident80.5Confident73 Ų7360.2 Ų60.234%0.34137%0.365SS..G310 helixtrans-105.41.9-172.7-59.5-169.4178.600113.3Y288 P289 A290 V293 V300 A301Y288-E303 WeakPolarHBondContact CE1-OE2 3.47Å; P289-E303 WeakPolarHBondContact CB-O 3.18Å; A290-E303 PolarHBondContact N-O 2.86Å; V293-E303 HydrophobicContact CG2-CB 4.41Å; V300-E303 HydrophobicContact CG1-CG 4.2Å; V300-E303 PolarHBondContact O-N 2.8Å; A301-E303 VanDerWaalsContact C-N 3.27Å; A301-E303 PolarHBondContact O-N 3.11Å
304Q85.8Confident80.7Confident7 Ų762 Ų623%0.03337%0.374CS..BIsolated β-bridgetrans-83.7128.3-178-156.7-170.76.800112.2A290 V291 A306 Y308 R309 T312A290-Q304 WeakPolarHBondContact O-CA 3.39Å; V291-Q304 VanDerWaalsContact O-CG 3.23Å; V291-Q304 WeakPolarHBondContact O-CG 3.36Å; V291-Q304 PolarHBondContact O-NE2 2.82Å; Q304-A306 PolarHBondContact O-N 3.25Å; Q304-Y308 PolarHBondContact NE2-O 2.95Å; Q304-R309 HydrophobicContact CB-CG 4.41Å; Q304-R309 PolarHBondContact O-NE 3.42Å; Q304-R309 VanDerWaalsContact O-NE 3.11Å; Q304-R309 PolarHBondContact O-NH2 2.73Å; Q304-R309 VanDerWaalsContact O-NH2 3.14Å; Q304-T312 PolarHBondContact NE2-OG1 3.4Å
305M85.9Confident81Confident33 Ų3363 Ų6316%0.16338%0.383CS..  trans-47.8133.2167.4-75.9177.687.600111.2R284 P289 A290 V291 E307 Y308R284-M305 HydrophobicContact CG-SD 4.36Å; P289-M305 HydrophobicContact CB-CG 3.93Å; P289-M305 HydrophobicContact CG-CG 3.8Å; P289-M305 WeakPolarHBondContact O-CG 3.34Å; A290-M305 WeakPolarHBondContact O-CB 3.42Å; A290-M305 WeakPolarHBondContact O-CG 3.39Å; A290-M305 PolarHBondContact O-N 3.15Å; V291-M305 HydrophobicContact CG2-SD 4.14Å; M305-E307 VanDerWaalsContact C-N 3.3Å; M305-E307 VanDerWaalsContact CE-OE1 3.24Å; M305-E307 WeakPolarHBondContact CE-OE1 3.4Å; M305-E307 PolarHBondContact O-N 3.27Å; M305-Y308 HydrophobicContact CB-CD2 3.75Å; M305-Y308 HydrophobicContact CB-CE2 4.43Å; M305-Y308 HydrophobicContact CE-CE2 4.21Å; M305-Y308 PolarHBondContact O-N 2.81Å; M305-Y308 HydrophobicContact SD-CD2 4.12Å; M305-Y308 HydrophobicContact SD-CE2 3.93Å
306A89.2Confident81.5Confident68 Ų6861.4 Ų61.456%0.56238%0.38SS*.G310 helixtrans-61.7-37.1-16900000112.9Q304 Y308 R309Q304-A306 PolarHBondContact O-N 3.25Å; A306-Y308 PolarHBondContact O-N 2.85Å; A306-R309 PolarHBondContact O-N 2.87Å
307E90.5Very high82.5Confident98 Ų9862.3 Ų62.346%0.45838%0.384SS..G310 helixtrans-68.8-17.1-178.659.5-97.3-12200114.7M305M305-E307 VanDerWaalsContact C-N 3.3Å; M305-E307 VanDerWaalsContact CE-OE1 3.24Å; M305-E307 WeakPolarHBondContact CE-OE1 3.4Å; M305-E307 PolarHBondContact O-N 3.27Å
308Y92.6Very high84.1Confident5 Ų560.7 Ų60.72%0.0237%0.367CS..G310 helixtrans-103.6-6.5179.4-65.1-75.9000113.4R284 V291 Q304 M305 A306 G310 R311 I328 Y339R284-Y308 PolarHBondContact NE-OH 2.77Å; V291-Y308 HydrophobicContact CB-CD2 4.34Å; V291-Y308 HydrophobicContact CB-CE2 4.44Å; V291-Y308 HydrophobicContact CG1-CD1 3.76Å; V291-Y308 HydrophobicContact CG1-CD2 3.97Å; V291-Y308 HydrophobicContact CG1-CE1 3.94Å; V291-Y308 HydrophobicContact CG1-CE2 4.15Å; V291-Y308 HydrophobicContact CG1-CG 3.77Å; V291-Y308 HydrophobicContact CG2-CD2 4.24Å; V291-Y308 HydrophobicContact CG2-CE2 3.89Å; Q304-Y308 PolarHBondContact NE2-O 2.95Å; M305-Y308 HydrophobicContact CB-CD2 3.75Å; M305-Y308 HydrophobicContact CB-CE2 4.43Å; M305-Y308 HydrophobicContact CE-CE2 4.21Å; M305-Y308 PolarHBondContact O-N 2.81Å; M305-Y308 HydrophobicContact SD-CD2 4.12Å; M305-Y308 HydrophobicContact SD-CE2 3.93Å; A306-Y308 PolarHBondContact O-N 2.85Å; Y308-G310 PolarHBondContact O-N 3.25Å; Y308-R311 PolarHBondContact O-N 3.06Å; Y308-I328 HydrophobicContact CD1-CD1 4.27Å; Y308-I328 HydrophobicContact CD1-CG2 3.93Å; Y308-I328 HydrophobicContact CE1-CD1 3.98Å; Y308-I328 HydrophobicContact CE1-CG2 4.18Å; Y308-Y339 PolarHBondContact OH-OH 3Å
309R89.9Confident85.6Confident142 Ų14255.3 Ų55.354%0.53634%0.337SS..THydrogen-bonded Turntrans-61.3130.6178.7-68.7179.7-175.3-178.9-2110.9Q304 A306 R311Q304-R309 HydrophobicContact CB-CG 4.41Å; Q304-R309 PolarHBondContact O-NE 3.42Å; Q304-R309 VanDerWaalsContact O-NE 3.11Å; Q304-R309 PolarHBondContact O-NH2 2.73Å; Q304-R309 VanDerWaalsContact O-NH2 3.14Å; A306-R309 PolarHBondContact O-N 2.87Å; R309-R311 PolarHBondContact O-N 2.88Å
310G90Very high86.9Confident77 Ų7755.3 Ų55.379%0.79434%0.341SS*.THydrogen-bonded Turntrans70.64.8-177.600000114.9Y308Y308-G310 PolarHBondContact O-N 3.25Å
311R94.9Very high88.1Confident18 Ų1857.1 Ų57.17%0.06835%0.346CS..THydrogen-bonded Turntrans-111.6-4.6175.1-65.9177.365-147-2.2113Y308 R309 I328 L329 S330 D335Y308-R311 PolarHBondContact O-N 3.06Å; R309-R311 PolarHBondContact O-N 2.88Å; R311-I328 HydrophobicContact CB-CG2 4.46Å; R311-I328 CarbonylContact O-C 3.26Å; R311-I328 WeakPolarHBondContact O-CA 3.45Å; R311-L329 HydrophobicContact CB-CB 4.5Å; R311-L329 PolarHBondContact NE-O 3.06Å; R311-L329 PolarHBondContact NH2-O 3.42Å; R311-L329 WeakPolarHBondContact O-CG 3.3Å; R311-L329 PolarHBondContact O-N 3.39Å; R311-S330 PolarHBondContact NH2-O 3.3Å; R311-D335 IonicContact CZ-OD1 2.72Å; R311-D335 IonicContact CZ-OD2 3.69Å; R311-D335 IonicContact NH1-OD1 3.8Å; R311-D335 PolarHBondContact NH1-OD1 2.77Å; R311-D335 IonicContact NH1-OD2 3.7Å; R311-D335 IonicContact NH2-OD1 2.99Å; R311-D335 IonicContact NH2-OD2 2.71Å; R311-D335 PolarHBondContact NH2-OD2 2.86Å
312T94.2Very high89.6Confident21 Ų2154.3 Ų54.313%0.12932%0.323CS..EExtended strand (participates in β ladder)trans-106.2138.2-176.554.40000111.6V291 H292 Q304 L326 Q327 I328V291-T312 HydrophobicContact CG1-CG2 4.48Å; H292-T312 WeakPolarHBondContact ND1-CB 3.44Å; H292-T312 PolarHBondContact ND1-OG1 3.43Å; Q304-T312 PolarHBondContact NE2-OG1 3.4Å; T312-L326 HydrophobicContact CG2-CD1 4.08Å; T312-Q327 CarbonylContact C-O 3.52Å; T312-Q327 VanDerWaalsContact CA-O 3.29Å; T312-Q327 WeakPolarHBondContact CA-O 3.45Å; T312-I328 HydrophobicContact CG2-CG1 4.35Å
313V93.6Very high91Very high64 Ų6456 Ų5639%0.38831%0.308SS..EExtended strand (participates in β ladder)trans-133.3128.9173.5-179.50000107.9Q327 L329V313-Q327 HydrophobicContact CB-CB 4.24Å; V313-Q327 PolarHBondContact N-O 3.17Å; V313-Q327 WeakPolarHBondContact O-CB 3.25Å; V313-Q327 PolarHBondContact O-N 2.85Å; V313-L329 HydrophobicContact CG2-CD1 4.38Å
314L94.1Very high92Very high38 Ų3852.6 Ų52.620%0.19929%0.292CS..EExtended strand (participates in β ladder)trans-92.7125.5175.8-172.370.4000109.9W282 Y294 L324W282-L314 HydrophobicContact CH2-CD1 3.72Å; W282-L314 HydrophobicContact CZ3-CD1 3.65Å; Y294-L314 HydrophobicContact CD2-CD2 3.41Å; Y294-L314 VanDerWaalsContact CD2-CD2 3.41Å; Y294-L314 HydrophobicContact CE2-CD2 4.28Å; Y294-L314 HydrophobicContact CG-CD2 3.77Å; L314-L324 HydrophobicContact CD1-CB 4.49Å; L314-L324 HydrophobicContact CD1-CD2 4.17Å; L314-L324 HydrophobicContact CD2-CD2 4.22Å
315V94.8Very high92.5Very high44 Ų4453.1 Ų53.127%0.26730%0.296SS..EExtended strand (participates in β ladder)trans-100.4113.6169.7-1770000107.8T325 Q327V315-T325 PolarHBondContact N-O 3.46Å; V315-T325 PolarHBondContact O-N 3.11Å; V315-Q327 HydrophobicContact CG2-CG 3.95Å
316S92.1Very high93Very high49 Ų4951.5 Ų51.534%0.34329%0.288SS..  trans-127.424.8-171.656.30000113.2A318 I319S316-A318 VanDerWaalsContact C-N 3.25Å; S316-A318 PolarHBondContact O-N 3.41Å; S316-I319 WeakPolarHBondContact O-CB 3.46Å; S316-I319 WeakPolarHBondContact O-CG2 3.46Å; S316-I319 PolarHBondContact O-N 3.47Å
317D91.3Very high93.4Very high137 Ų13750.5 Ų50.573%0.73327%0.272SS*.THydrogen-bonded Turntrans-62.3-28.1-179.962.8-29.5000114
318A93.3Very high93.8Very high16 Ų1645.9 Ų45.913%0.13225%0.25CC..THydrogen-bonded Turntrans-113.829.7177.700000113.1S316 D320 E321 G322 R323S316-A318 VanDerWaalsContact C-N 3.25Å; S316-A318 PolarHBondContact O-N 3.41Å; A318-D320 VanDerWaalsContact C-N 3.27Å; A318-D320 PolarHBondContact O-N 3.06Å; A318-E321 PolarHBondContact O-N 2.82Å; A318-E321 VanDerWaalsContact O-N 3.1Å; A318-G322 PolarHBondContact O-N 2.96Å; A318-R323 CarbonylContact C-O 3.53Å; A318-R323 HydrophobicContact CB-CB 4.03Å; A318-R323 PolarHBondContact O-N 3.15Å
319I91.9Very high94Very high13 Ų1348.2 Ų48.27%0.06726%0.263CS..G310 helixtrans-65.1-29.2-178.9-168.9166.6000113.1A275 Q276 Y294 S316 E321 G322 L324A275-I319 HydrophobicContact CB-CG1 4.11Å; A275-I319 PolarHBondContact N-O 3.42Å; Q276-I319 HydrophobicContact CG-CB 4.38Å; Q276-I319 HydrophobicContact CG-CD1 4.11Å; Q276-I319 HydrophobicContact CG-CG1 3.98Å; Q276-I319 HydrophobicContact CG-CG2 3.58Å; Y294-I319 HydrophobicContact CE1-CD1 3.77Å; Y294-I319 HydrophobicContact CE2-CD1 4.25Å; Y294-I319 WeakPolarHBondContact OH-CD1 3.42Å; S316-I319 WeakPolarHBondContact O-CB 3.46Å; S316-I319 WeakPolarHBondContact O-CG2 3.46Å; S316-I319 PolarHBondContact O-N 3.47Å; I319-E321 PolarHBondContact O-N 2.87Å; I319-G322 PolarHBondContact O-N 3.04Å; I319-L324 HydrophobicContact CD1-CD2 3.93Å; I319-L324 HydrophobicContact CD1-CG 4.44Å; I319-L324 HydrophobicContact CG1-CD1 4.16Å; I319-L324 HydrophobicContact CG1-CD2 4.27Å; I319-L324 HydrophobicContact CG1-CG 4.25Å
320D91.1Very high94.3Very high90 Ų9044.5 Ų44.548%0.48126%0.259SS..G310 helixtrans-68.5-22.5174.564.2-49.3000112.6N274 A318N274-D320 VanDerWaalsContact CA-O 3.23Å; N274-D320 WeakPolarHBondContact CA-O 3.5Å; N274-D320 PolarHBondContact N-O 2.85Å; A318-D320 VanDerWaalsContact C-N 3.27Å; A318-D320 PolarHBondContact O-N 3.06Å
321E92.7Very high94.7Very high79 Ų7941 Ų4137%0.36922%0.222SC..G310 helixtrans-93.1-2.4169.5-58.3-163.2145.600113.4K272 A273 A318 I319K272-E321 HydrophobicContact CD-CB 4.14Å; K272-E321 HydrophobicContact CD-CG 4.39Å; K272-E321 IonicContact NZ-OE1 2.76Å; K272-E321 PolarHBondContact NZ-OE1 3Å; K272-E321 IonicContact NZ-OE2 3.29Å; K272-E321 PolarHBondContact NZ-OE2 3.21Å; A273-E321 PolarHBondContact N-O 2.94Å; A273-E321 CarbonylContact O-C 3.59Å; A273-E321 VanDerWaalsContact O-C 3.26Å; A318-E321 PolarHBondContact O-N 2.82Å; A318-E321 VanDerWaalsContact O-N 3.1Å; I319-E321 PolarHBondContact O-N 2.87Å
322G91.9Very high94.7Very high0 Ų045.7 Ų45.70%024%0.24CC..THydrogen-bonded Turntrans8024.4178.300000113.7Y268 L269 A273 A318 I319Y268-G322 CarbonylContact C-O 3.37Å; Y268-G322 WeakPolarHBondContact CA-O 3.22Å; L269-G322 PolarHBondContact N-O 3.25Å; A273-G322 WeakPolarHBondContact O-CA 3.45Å; A273-G322 PolarHBondContact O-N 3.47Å; A318-G322 PolarHBondContact O-N 2.96Å; I319-G322 PolarHBondContact O-N 3.04Å
323R95.8Very high94.8Very high105 Ų10545.3 Ų45.340%0.39624%0.238SC..EExtended strand (participates in β ladder)trans-107.3125.8174.9175.5-176.9-67.1-91-5.8109.6T266 A318T266-R323 HydrophobicContact CG2-CG 4.24Å; A318-R323 CarbonylContact C-O 3.53Å; A318-R323 HydrophobicContact CB-CB 4.03Å; A318-R323 PolarHBondContact O-N 3.15Å
324L95.9Very high94.8Very high1 Ų146.1 Ų46.11%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-132.7145.8172.5-63.792.4000110.4C267 A275 V280 W282 L314 I319 F343C267-L324 PolarHBondContact N-O 2.83Å; C267-L324 PolarHBondContact O-N 3.21Å; C267-L324 VanDerWaalsContact O-O 3.09Å; A275-L324 HydrophobicContact CB-CD1 3.98Å; V280-L324 HydrophobicContact CB-CD2 4.19Å; V280-L324 HydrophobicContact CG1-CD1 4.41Å; V280-L324 HydrophobicContact CG1-CD2 4.25Å; V280-L324 HydrophobicContact CG2-CD1 4.07Å; V280-L324 HydrophobicContact CG2-CD2 4.09Å; W282-L324 HydrophobicContact CH2-CB 3.75Å; W282-L324 HydrophobicContact CZ2-CB 4.36Å; L314-L324 HydrophobicContact CD1-CB 4.49Å; L314-L324 HydrophobicContact CD1-CD2 4.17Å; L314-L324 HydrophobicContact CD2-CD2 4.22Å; I319-L324 HydrophobicContact CD1-CD2 3.93Å; I319-L324 HydrophobicContact CD1-CG 4.44Å; I319-L324 HydrophobicContact CG1-CD1 4.16Å; I319-L324 HydrophobicContact CG1-CD2 4.27Å; I319-L324 HydrophobicContact CG1-CG 4.25Å; L324-F343 HydrophobicContact CD1-CE1 3.43Å; L324-F343 VanDerWaalsContact CD1-CE1 3.43Å; L324-F343 HydrophobicContact CD1-CZ 3.59Å
325T97.1Very high94.9Very high17 Ų1744.3 Ų44.310%0.10424%0.237CC..EExtended strand (participates in β ladder)trans-125.8120175.7-59.50000109.8Q264 T266 V315 Q327Q264-T325 HydrophobicContact CB-CG2 3.98Å; T266-T325 WeakPolarHBondContact CB-OG1 3.44Å; T266-T325 VanDerWaalsContact CG2-OG1 3.3Å; T266-T325 WeakPolarHBondContact CG2-OG1 3.46Å; T266-T325 VanDerWaalsContact OG1-CG2 3.26Å; T266-T325 WeakPolarHBondContact OG1-CG2 3.49Å; T266-T325 PolarHBondContact OG1-OG1 3.29Å; V315-T325 PolarHBondContact N-O 3.46Å; V315-T325 PolarHBondContact O-N 3.11Å; T325-Q327 HydrophobicContact CG2-CG 4.42Å
326L97Very high94.9Very high0 Ų044.4 Ų44.40%024%0.235CC..EExtended strand (participates in β ladder)trans-83.8121.9166.817564.8000109.3L265 W282 V291 H292 T312 I328L265-L326 HydrophobicContact CB-CB 4.32Å; L265-L326 HydrophobicContact CD1-CD2 4.47Å; L265-L326 PolarHBondContact N-O 3.25Å; L265-L326 PolarHBondContact O-N 3.08Å; W282-L326 HydrophobicContact CB-CD2 3.53Å; W282-L326 HydrophobicContact CD2-CB 3.59Å; W282-L326 HydrophobicContact CD2-CD2 3.77Å; W282-L326 HydrophobicContact CD2-CG 4.28Å; W282-L326 VanDerWaalsContact CE2-CB 3.5Å; W282-L326 HydrophobicContact CE3-CB 3.97Å; W282-L326 HydrophobicContact CE3-CD2 4.21Å; W282-L326 HydrophobicContact CG-CB 4.02Å; W282-L326 HydrophobicContact CG-CD2 3.45Å; W282-L326 VanDerWaalsContact CG-CD2 3.45Å; W282-L326 HydrophobicContact CG-CG 4.38Å; W282-L326 HydrophobicContact CH2-CB 4.2Å; W282-L326 HydrophobicContact CZ2-CB 3.83Å; W282-L326 HydrophobicContact CZ3-CB 4.26Å; V291-L326 HydrophobicContact CG1-CD2 3.87Å; H292-L326 HydrophobicContact CB-CD1 3.59Å; H292-L326 HydrophobicContact CB-CD2 3.81Å; H292-L326 HydrophobicContact CB-CG 4.36Å; T312-L326 HydrophobicContact CG2-CD1 4.08Å; L326-I328 HydrophobicContact CD2-CD1 4.41Å; L326-I328 HydrophobicContact CD2-CG1 4.25Å; L326-I328 HydrophobicContact CG-CG1 4.2Å
327Q97.6Very high95Very high47 Ų4742.8 Ų42.822%0.2223%0.226CC..EExtended strand (participates in β ladder)trans-95.6130.8168.7-64.9-175.2-26.800110.2I263 Q264 T312 V313 V315 T325I263-Q327 CarbonylContact O-C 3.52Å; I263-Q327 WeakPolarHBondContact O-CA 3.35Å; Q264-Q327 HydrophobicContact CG-CG 4.32Å; T312-Q327 CarbonylContact C-O 3.52Å; T312-Q327 VanDerWaalsContact CA-O 3.29Å; T312-Q327 WeakPolarHBondContact CA-O 3.45Å; V313-Q327 HydrophobicContact CB-CB 4.24Å; V313-Q327 PolarHBondContact N-O 3.17Å; V313-Q327 WeakPolarHBondContact O-CB 3.25Å; V313-Q327 PolarHBondContact O-N 2.85Å; V315-Q327 HydrophobicContact CG2-CG 3.95Å; T325-Q327 HydrophobicContact CG2-CG 4.42Å
328I97.8Very high95.2Very high0 Ų041.8 Ų41.80%022%0.217CC..EExtended strand (participates in β ladder)trans-115.2116.9171.7-49.6171.2000108.1I263 L265 V291 Y308 R311 T312 L326 Y339I263-I328 HydrophobicContact CB-CB 4.09Å; I263-I328 HydrophobicContact CD1-CB 4.04Å; I263-I328 HydrophobicContact CD1-CG2 4.3Å; I263-I328 PolarHBondContact N-O 2.69Å; I263-I328 PolarHBondContact O-N 2.83Å; L265-I328 HydrophobicContact CD1-CD1 3.94Å; V291-I328 HydrophobicContact CG1-CD1 3.96Å; Y308-I328 HydrophobicContact CD1-CD1 4.27Å; Y308-I328 HydrophobicContact CD1-CG2 3.93Å; Y308-I328 HydrophobicContact CE1-CD1 3.98Å; Y308-I328 HydrophobicContact CE1-CG2 4.18Å; R311-I328 HydrophobicContact CB-CG2 4.46Å; R311-I328 CarbonylContact O-C 3.26Å; R311-I328 WeakPolarHBondContact O-CA 3.45Å; T312-I328 HydrophobicContact CG2-CG1 4.35Å; L326-I328 HydrophobicContact CD2-CD1 4.41Å; L326-I328 HydrophobicContact CD2-CG1 4.25Å; L326-I328 HydrophobicContact CG-CG1 4.2Å; I328-Y339 HydrophobicContact CD1-CE1 3.93Å
329L97.5Very high95.3Very high55 Ų5541 Ų4129%0.28821%0.211SC..SBendtrans-74137.2-173.6-59178.5000111.9D262 R311 V313D262-L329 VanDerWaalsContact OD1-CA 3.29Å; D262-L329 WeakPolarHBondContact OD1-CA 3.46Å; R311-L329 HydrophobicContact CB-CB 4.5Å; R311-L329 PolarHBondContact NE-O 3.06Å; R311-L329 PolarHBondContact NH2-O 3.42Å; R311-L329 WeakPolarHBondContact O-CG 3.3Å; R311-L329 PolarHBondContact O-N 3.39Å; V313-L329 HydrophobicContact CG2-CD1 4.38Å
330S96.2Very high95.4Very high64 Ų6443.1 Ų43.145%0.44822%0.218SC..SBendtrans51.181.6174.1-53.20000113.4D262 R311D262-S330 PolarHBondContact OD1-N 2.96Å; R311-S330 PolarHBondContact NH2-O 3.3Å
331A97.2Very high95.6Very high3 Ų338.9 Ų38.93%0.02520%0.195CC..  trans-52.2135.4-177.100000112.6V257 G260 E261 I263 V358V257-A331 HydrophobicContact CG1-CB 3.85Å; G260-A331 PolarHBondContact N-O 3.32Å; E261-A331 WeakPolarHBondContact O-CB 3Å; E261-A331 PolarHBondContact O-N 2.82Å; I263-A331 HydrophobicContact CD1-CB 3.79Å; I263-A331 HydrophobicContact CG1-CB 3.8Å; A331-V358 HydrophobicContact CB-CG1 4.45Å
332R95.7Very high95.5Very high116 Ų11635.2 Ų35.244%0.43818%0.179SC..  trans-117.2153.1176.8-60.5174-176.1174.5-3.1109.6S334 D335R332-S334 PolarHBondContact O-N 3.31Å; R332-S334 VanDerWaalsContact O-N 3.11Å; R332-D335 WeakPolarHBondContact CB-OD2 3.25Å; R332-D335 PolarHBondContact N-OD2 2.98Å; R332-D335 WeakPolarHBondContact O-CB 3.48Å; R332-D335 PolarHBondContact O-N 2.84Å
333P95.4Very high95.4Very high14 Ų1435.2 Ų35.29%0.09118%0.179CC..G310 helixtrans-52-32.9171.9-3543.1000114.6V259 D335 D336 F387 H414 L416V259-P333 HydrophobicContact CG2-CG 4.15Å; P333-D335 PolarHBondContact O-N 2.81Å; P333-D336 WeakPolarHBondContact O-CB 3.26Å; P333-D336 PolarHBondContact O-N 2.84Å; P333-F387 HydrophobicContact CB-CD1 4.08Å; P333-F387 HydrophobicContact CB-CD2 3.71Å; P333-F387 HydrophobicContact CB-CE1 4.05Å; P333-F387 HydrophobicContact CB-CE2 3.65Å; P333-F387 HydrophobicContact CB-CG 3.93Å; P333-F387 HydrophobicContact CB-CZ 3.82Å; P333-F387 HydrophobicContact CG-CB 4.46Å; P333-F387 HydrophobicContact CG-CD1 4.38Å; P333-F387 HydrophobicContact CG-CD2 4.22Å; P333-F387 HydrophobicContact CG-CG 4.09Å; P333-F387 WeakPolarHBondContact O-CZ 2.8Å; P333-H414 WeakPolarHBondContact CD-O 3.41Å; P333-H414 WeakPolarHBondContact CG-O 3.36Å; P333-L416 HydrophobicContact CG-CD2 3.77Å; P333-L416 HydrophobicContact CG-CG 4.25Å
334S94.2Very high94.9Very high80 Ų8031.1 Ų31.156%0.55916%0.164SC*.G310 helixtrans-66.9-19.3175.9580000114.5R284 R332 D336R284-S334 PolarHBondContact NH2-O 2.68Å; R332-S334 PolarHBondContact O-N 3.31Å; R332-S334 VanDerWaalsContact O-N 3.11Å; S334-D336 VanDerWaalsContact C-N 3.3Å
335D96.1Very high93.9Very high1 Ų134 Ų341%0.00518%0.177CC..G310 helixtrans-79-16.9179.3-55.9-34.7000111.1I263 R284 R311 R332 P333 Y339 L356 V358I263-D335 HydrophobicContact CD1-CB 3.95Å; R284-D335 PolarHBondContact NH1-O 3.09Å; R284-D335 PolarHBondContact NH2-O 3.3Å; R311-D335 IonicContact CZ-OD1 2.72Å; R311-D335 IonicContact CZ-OD2 3.69Å; R311-D335 IonicContact NH1-OD1 3.8Å; R311-D335 PolarHBondContact NH1-OD1 2.77Å; R311-D335 IonicContact NH1-OD2 3.7Å; R311-D335 IonicContact NH2-OD1 2.99Å; R311-D335 IonicContact NH2-OD2 2.71Å; R311-D335 PolarHBondContact NH2-OD2 2.86Å; R332-D335 WeakPolarHBondContact CB-OD2 3.25Å; R332-D335 PolarHBondContact N-OD2 2.98Å; R332-D335 WeakPolarHBondContact O-CB 3.48Å; R332-D335 PolarHBondContact O-N 2.84Å; P333-D335 PolarHBondContact O-N 2.81Å; D335-Y339 WeakPolarHBondContact O-CE2 3.47Å; D335-Y339 PolarHBondContact O-OH 3.25Å; D335-L356 HydrophobicContact CB-CD2 4.36Å; D335-L356 WeakPolarHBondContact O-CD2 3.41Å; D335-V358 HydrophobicContact CB-CG2 4.4Å
336D95.6Very high92.5Very high45 Ų4538.4 Ų38.424%0.24120%0.199CC..  trans-55.5141.9178.6-170.5-86.1000112.5R284 P333 S334 K357 V358 F387R284-D336 PolarHBondContact NH1-O 3.48Å; R284-D336 VanDerWaalsContact NH1-O 3.15Å; R284-D336 PolarHBondContact NH2-O 2.83Å; P333-D336 WeakPolarHBondContact O-CB 3.26Å; P333-D336 PolarHBondContact O-N 2.84Å; S334-D336 VanDerWaalsContact C-N 3.3Å; D336-K357 WeakPolarHBondContact OD2-CA 3.45Å; D336-V358 HydrophobicContact CB-CB 4.12Å; D336-V358 HydrophobicContact CB-CG2 4.17Å; D336-V358 PolarHBondContact OD2-N 3.4Å; D336-F387 HydrophobicContact CB-CE1 3.81Å; D336-F387 HydrophobicContact CB-CZ 4Å
337G94.3Very high90.7Very high15 Ų1545 Ų4516%0.15523%0.234CC..EExtended strand (participates in β ladder)trans122.6-162.3171.900000113.3Y339 L356G337-Y339 WeakPolarHBondContact O-CD2 3.47Å; G337-L356 PolarHBondContact N-O 2.85Å; G337-L356 WeakPolarHBondContact O-CB 3.48Å; G337-L356 PolarHBondContact O-N 2.9Å
338Q94.5Very high89.1Confident116 Ų11644 Ų4454%0.54223%0.232SC..EExtended strand (participates in β ladder)trans-79.7143.5-174.1-164.1173.820.300111.8R284 S353 L354R284-Q338 PolarHBondContact NH1-O 3.16Å; R284-Q338 VanDerWaalsContact NH1-O 3.13Å; Q338-S353 PolarHBondContact NE2-OG 3.26Å; Q338-L354 WeakPolarHBondContact CA-O 3.41Å
339Y96.1Very high88Confident0 Ų046.4 Ų46.40%024%0.241CC..EExtended strand (participates in β ladder)trans-126.9156.7168.6-69-105.5000108.6L265 D283 R284 V291 Y308 I328 D335 G337 S353 L354 L356L265-Y339 HydrophobicContact CD1-CD1 3.43Å; L265-Y339 VanDerWaalsContact CD1-CD1 3.43Å; L265-Y339 HydrophobicContact CD1-CD2 4.18Å; L265-Y339 HydrophobicContact CD1-CE1 3.78Å; L265-Y339 HydrophobicContact CD1-CG 3.66Å; D283-Y339 CarbonylContact O-C 3.52Å; D283-Y339 WeakPolarHBondContact O-CA 3.12Å; R284-Y339 VanDerWaalsContact CD-CE1 3.45Å; R284-Y339 HydrophobicContact CG-CE1 4.39Å; V291-Y339 HydrophobicContact CG1-CE1 4.28Å; V291-Y339 HydrophobicContact CG2-CD1 4.11Å; V291-Y339 HydrophobicContact CG2-CE1 3.95Å; Y308-Y339 PolarHBondContact OH-OH 3Å; I328-Y339 HydrophobicContact CD1-CE1 3.93Å; D335-Y339 WeakPolarHBondContact O-CE2 3.47Å; D335-Y339 PolarHBondContact O-OH 3.25Å; G337-Y339 WeakPolarHBondContact O-CD2 3.47Å; Y339-S353 WeakPolarHBondContact O-CA 3.32Å; Y339-L354 PolarHBondContact N-O 3.45Å; Y339-L354 PolarHBondContact O-N 3.05Å; Y339-L356 HydrophobicContact CD2-CB 3.96Å; Y339-L356 HydrophobicContact CE2-CB 3.76Å; Y339-L356 HydrophobicContact CE2-CD2 3.63Å; Y339-L356 HydrophobicContact CE2-CG 4.35Å
340R94.6Very high87.3Confident58 Ų5845.7 Ų45.722%0.21924%0.236CC..EExtended strand (participates in β ladder)trans-121.4141.7165.3-67179.1-67-150.9-4.6109.5W282 D283 S285 L342 A352W282-R340 CarbonylContact C-O 3.51Å; W282-R340 VanDerWaalsContact CA-O 3.22Å; W282-R340 WeakPolarHBondContact CA-O 3.3Å; D283-R340 PolarHBondContact N-O 2.71Å; D283-R340 PolarHBondContact O-N 3.01Å; D283-R340 IonicContact OD1-CZ 3.83Å; D283-R340 VanDerWaalsContact OD1-CZ 3.3Å; D283-R340 IonicContact OD1-NE 3.66Å; D283-R340 PolarHBondContact OD1-NE 3.22Å; D283-R340 IonicContact OD1-NH2 3.99Å; D283-R340 PolarHBondContact OD1-NH2 3.49Å; D283-R340 IonicContact OD2-NE 2.87Å; D283-R340 IonicContact OD2-NH2 2.77Å; S285-R340 PolarHBondContact O-NH2 3.09Å; R340-L342 HydrophobicContact CB-CD1 3.87Å; R340-A352 WeakPolarHBondContact CA-O 3.38Å
341C93.8Very high87Confident0 Ų046.1 Ų46.10%023%0.231CC..EExtended strand (participates in β ladder)trans-109.9132.7164.862.20000108.8C267 R281 W282 E351 A352 L354C267-C341 HydrophobicContact CB-CB 3.7Å; C267-C341 WeakPolarHBondContact CB-SG 3.29Å; C267-C341 WeakPolarHBondContact SG-CB 3.42Å; C267-C341 CovalentContact SG-SG 2Å; C267-C341 PolarHBondContact SG-SG 2.92Å; R281-C341 CarbonylContact O-C 3.57Å; R281-C341 VanDerWaalsContact O-CA 3.28Å; R281-C341 WeakPolarHBondContact O-CA 3.31Å; W282-C341 HydrophobicContact CG-CB 4.46Å; C341-E351 CarbonylContact O-C 3.55Å; C341-E351 WeakPolarHBondContact O-CA 3.31Å; C341-E351 WeakPolarHBondContact O-CB 3.46Å; C341-A352 PolarHBondContact N-O 3.09Å; C341-A352 PolarHBondContact O-N 3.49Å; C341-L354 HydrophobicContact CB-CD1 4.04Å
342L91Very high86.7Confident3 Ų346.7 Ų46.72%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-123.4135-174-59.886.7000108.3V280 R281 D283 R340 Y349 Q350 E351V280-L342 VanDerWaalsContact CA-O 3.32Å; V280-L342 WeakPolarHBondContact CA-O 3.29Å; R281-L342 HydrophobicContact CB-CB 4.49Å; R281-L342 HydrophobicContact CG-CD1 4.41Å; R281-L342 PolarHBondContact N-O 2.8Å; R281-L342 PolarHBondContact O-N 2.89Å; D283-L342 WeakPolarHBondContact OD2-CD1 3.39Å; R340-L342 HydrophobicContact CB-CD1 3.87Å; L342-Y349 HydrophobicContact CD2-CD2 3.88Å; L342-Y349 HydrophobicContact CD2-CE2 3.95Å; L342-Q350 WeakPolarHBondContact CA-O 3.3Å; L342-E351 HydrophobicContact CG-CB 3.95Å
343F90.1Very high86.6Confident0 Ų044 Ų440%024%0.235CC..EExtended strand (participates in β ladder)trans-116.8118.5171.7-74.7-116.2000107.1V248 C267 L269 A275 M278 V280 L324 Y349 Q350V248-F343 HydrophobicContact CB-CD2 4.35Å; V248-F343 HydrophobicContact CG1-CD2 3.76Å; V248-F343 HydrophobicContact CG1-CE2 3.91Å; V248-F343 HydrophobicContact CG2-CB 3.82Å; V248-F343 HydrophobicContact CG2-CD2 3.54Å; V248-F343 HydrophobicContact CG2-CE2 4.34Å; V248-F343 HydrophobicContact CG2-CG 3.86Å; C267-F343 HydrophobicContact CB-CE2 3.85Å; C267-F343 HydrophobicContact CB-CZ 4.4Å; L269-F343 HydrophobicContact CD1-CD1 3.96Å; L269-F343 HydrophobicContact CD1-CE1 4.21Å; L269-F343 HydrophobicContact CD2-CB 4.16Å; L269-F343 HydrophobicContact CD2-CD1 3.75Å; L269-F343 HydrophobicContact CD2-CE1 4.23Å; L269-F343 HydrophobicContact CD2-CG 3.91Å; L269-F343 HydrophobicContact CG-CD1 3.83Å; L269-F343 HydrophobicContact CG-CE1 3.89Å; L269-F343 HydrophobicContact CG-CG 4.46Å; A275-F343 HydrophobicContact CB-CD1 4.07Å; A275-F343 HydrophobicContact CB-CE1 3.87Å; M278-F343 HydrophobicContact SD-CB 4.47Å; M278-F343 HydrophobicContact SD-CD1 4.15Å; V280-F343 HydrophobicContact CG1-CD1 4.48Å; V280-F343 HydrophobicContact CG1-CD2 4.16Å; V280-F343 HydrophobicContact CG1-CE1 4.28Å; V280-F343 HydrophobicContact CG1-CE2 3.91Å; V280-F343 HydrophobicContact CG1-CG 4.44Å; V280-F343 HydrophobicContact CG1-CZ 3.98Å; V280-F343 HydrophobicContact CG2-CD1 3.83Å; V280-F343 HydrophobicContact CG2-CE1 3.94Å; V280-F343 HydrophobicContact CG2-CG 4.3Å; V280-F343 HydrophobicContact CG2-CZ 4.47Å; L324-F343 HydrophobicContact CD1-CE1 3.43Å; L324-F343 VanDerWaalsContact CD1-CE1 3.43Å; L324-F343 HydrophobicContact CD1-CZ 3.59Å; F343-Y349 CarbonylContact O-C 3.28Å; F343-Y349 WeakPolarHBondContact O-CA 3.28Å; F343-Y349 WeakPolarHBondContact O-CB 3.2Å; F343-Q350 PolarHBondContact N-O 2.97Å; F343-Q350 PolarHBondContact O-N 2.84Å
344E84.4Confident86.6Confident19 Ų1943.4 Ų43.49%0.08923%0.231CC..EExtended strand (participates in β ladder)trans-124.5137.4-173.5-178.2164.3177.600111M278 E279 R281 R287 V348M278-E344 CarbonylContact C-O 3.54Å; M278-E344 WeakPolarHBondContact CA-O 3.34Å; M278-E344 WeakPolarHBondContact CB-O 3.39Å; E279-E344 HydrophobicContact CB-CB 4.27Å; E279-E344 PolarHBondContact N-O 2.81Å; E279-E344 PolarHBondContact O-N 3.02Å; R281-E344 IonicContact NH2-OE2 2.68Å; R281-E344 PolarHBondContact NH2-OE2 2.8Å; R281-E344 VanDerWaalsContact NH2-OE2 3.16Å; R287-E344 IonicContact CZ-OE2 2.73Å; R287-E344 VanDerWaalsContact CZ-OE2 3.29Å; R287-E344 IonicContact NH1-OE1 3.78Å; R287-E344 IonicContact NH1-OE2 3.63Å; R287-E344 PolarHBondContact NH1-OE2 2.8Å; R287-E344 VanDerWaalsContact NH1-OE2 3.11Å; R287-E344 IonicContact NH2-OE2 3.5Å; R287-E344 PolarHBondContact NH2-OE2 3.43Å; E344-V348 CarbonylContact C-O 3.56Å; E344-V348 VanDerWaalsContact CA-O 3.31Å; E344-V348 WeakPolarHBondContact CA-O 3.3Å
345K76.6Confident86.6Confident62 Ų6242.2 Ų42.227%0.2722%0.218SC..EExtended strand (participates in β ladder)trans-147.9129173.7-170.5-177.2173.9179.70109L243 M278 D347 V348L243-K345 HydrophobicContact CD1-CB 4.06Å; M278-K345 HydrophobicContact CE-CD 4.34Å; M278-K345 HydrophobicContact CG-CB 4.2Å; M278-K345 HydrophobicContact CG-CD 4.41Å; K345-D347 VanDerWaalsContact C-N 3.31Å; K345-D347 PolarHBondContact O-N 2.87Å; K345-V348 PolarHBondContact N-O 2.92Å; K345-V348 PolarHBondContact O-N 3.41Å; K345-V348 VanDerWaalsContact O-N 3.09Å
346D67.2Low86.6Confident109 Ų10942.1 Ų42.158%0.58322%0.218SC*.THydrogen-bonded Turntrans51.548.1178.5-53-45.4000112.2L239 V348L239-D346 HydrophobicContact CD1-CB 3.99Å; L239-D346 HydrophobicContact CD2-CB 4.24Å; D346-V348 PolarHBondContact O-N 3.19Å; D346-V348 VanDerWaalsContact O-N 3.16Å
347D59.3Low86.6Confident137 Ų13742.8 Ų42.873%0.73322%0.218SC*.THydrogen-bonded Turntrans62.113.5-178.6-55.9-53.5000116K345K345-D347 VanDerWaalsContact C-N 3.31Å; K345-D347 PolarHBondContact O-N 2.87Å
348V63.7Low86.7Confident27 Ų2742.1 Ų42.116%0.16421%0.211CC..EExtended strand (participates in β ladder)trans-111.9132.2172.2-1790000109.3L243 E344 K345 D346L243-V348 HydrophobicContact CB-CG1 4.17Å; L243-V348 HydrophobicContact CD1-CB 3.77Å; L243-V348 HydrophobicContact CD1-CG1 3.75Å; L243-V348 WeakPolarHBondContact CD1-O 3.4Å; E344-V348 CarbonylContact C-O 3.56Å; E344-V348 VanDerWaalsContact CA-O 3.31Å; E344-V348 WeakPolarHBondContact CA-O 3.3Å; K345-V348 PolarHBondContact N-O 2.92Å; K345-V348 PolarHBondContact O-N 3.41Å; K345-V348 VanDerWaalsContact O-N 3.09Å; D346-V348 PolarHBondContact O-N 3.19Å; D346-V348 VanDerWaalsContact O-N 3.16Å
349Y74.3Confident86.8Confident51 Ų5136.7 Ų36.720%0.219%0.186CC..EExtended strand (participates in β ladder)trans-131.4157.2179.975.5-85.4000114.2R287 L342 F343 E351R287-Y349 VanDerWaalsContact NH2-CG 3.34Å; L342-Y349 HydrophobicContact CD2-CD2 3.88Å; L342-Y349 HydrophobicContact CD2-CE2 3.95Å; F343-Y349 CarbonylContact O-C 3.28Å; F343-Y349 WeakPolarHBondContact O-CA 3.28Å; F343-Y349 WeakPolarHBondContact O-CB 3.2Å; Y349-E351 HydrophobicContact CE2-CG 4.49Å
350Q82.2Confident86.7Confident39 Ų3936.9 Ų36.918%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-125.8153.7167-72.9-69.2-44.900108.5L246 V248 L342 F343L246-Q350 WeakPolarHBondContact O-CG 3.25Å; V248-Q350 HydrophobicContact CB-CB 4.31Å; V248-Q350 HydrophobicContact CG2-CB 3.57Å; L342-Q350 WeakPolarHBondContact CA-O 3.3Å; F343-Q350 PolarHBondContact N-O 2.97Å; F343-Q350 PolarHBondContact O-N 2.84Å
351E90.5Very high86.4Confident74 Ų7436 Ų3635%0.34619%0.188SC..EExtended strand (participates in β ladder)trans-141.3159.2-176.667.2175.9-142.400113.5C341 L342 Y349C341-E351 CarbonylContact O-C 3.55Å; C341-E351 WeakPolarHBondContact O-CA 3.31Å; C341-E351 WeakPolarHBondContact O-CB 3.46Å; L342-E351 HydrophobicContact CG-CB 3.95Å; Y349-E351 HydrophobicContact CE2-CG 4.49Å
352A91.9Very high86.3Confident14 Ų1436.3 Ų36.312%0.11619%0.191CC..EExtended strand (participates in β ladder)trans-133.2143.1165.400000110.7V248 R340 C341V248-A352 HydrophobicContact CB-CB 4.43Å; V248-A352 HydrophobicContact CG1-CB 3.82Å; R340-A352 WeakPolarHBondContact CA-O 3.38Å; C341-A352 PolarHBondContact N-O 3.09Å; C341-A352 PolarHBondContact O-N 3.49Å
353S92.6Very high86.4Confident60 Ų6038.7 Ų38.742%0.4221%0.208SC..EExtended strand (participates in β ladder)trans-83.4140.6170.9-73.30000110.9Q338 Y339Q338-S353 PolarHBondContact NE2-OG 3.26Å; Y339-S353 WeakPolarHBondContact O-CA 3.32Å
354L94.8Very high86.7Confident2 Ų242.9 Ų42.91%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-124.3134.8171.1-49.389000108.2P251 I255 L265 Q338 Y339 C341P251-L354 HydrophobicContact CG-CD2 3.93Å; P251-L354 HydrophobicContact CG-CG 4.43Å; I255-L354 HydrophobicContact CD1-CB 4.41Å; I255-L354 HydrophobicContact CD1-CD2 4.18Å; L265-L354 HydrophobicContact CB-CD2 4.06Å; L265-L354 HydrophobicContact CD2-CD2 4.35Å; Q338-L354 WeakPolarHBondContact CA-O 3.41Å; Y339-L354 PolarHBondContact N-O 3.45Å; Y339-L354 PolarHBondContact O-N 3.05Å; C341-L354 HydrophobicContact CB-CD1 4.04Å
355D95.1Very high87.2Confident54 Ų5442.5 Ų42.529%0.28924%0.236SC..EExtended strand (participates in β ladder)trans-102.9115.8173.3-171.521.2000109P254 I255 K357P254-D355 CarbonylContact C-O 3.52Å; P254-D355 VanDerWaalsContact CA-O 3.29Å; P254-D355 WeakPolarHBondContact CA-O 3.41Å; P254-D355 HydrophobicContact CB-CB 4.3Å; I255-D355 PolarHBondContact N-O 2.93Å; D355-K357 VanDerWaalsContact CG-NZ 3.3Å; D355-K357 WeakPolarHBondContact OD1-CE 3.39Å; D355-K357 IonicContact OD1-NZ 3.62Å; D355-K357 PolarHBondContact OD1-NZ 3.16Å; D355-K357 WeakPolarHBondContact OD2-CE 3.48Å; D355-K357 IonicContact OD2-NZ 3.54Å; D355-K357 PolarHBondContact OD2-NZ 3.22Å
356L97Very high88.1Confident0 Ų045.1 Ų45.10%025%0.252CS..EExtended strand (participates in β ladder)trans-99.9125175.6-179.568.1000109.2I255 V257 I263 D335 G337 Y339 V358I255-L356 HydrophobicContact CB-CD1 4.03Å; I255-L356 HydrophobicContact CG2-CD1 4.04Å; V257-L356 HydrophobicContact CB-CD1 4.36Å; V257-L356 HydrophobicContact CG2-CD1 3.69Å; I263-L356 HydrophobicContact CD1-CD2 3.67Å; I263-L356 HydrophobicContact CG1-CD1 4.35Å; I263-L356 HydrophobicContact CG1-CD2 4.07Å; I263-L356 HydrophobicContact CG2-CD1 3.65Å; I263-L356 HydrophobicContact CG2-CD2 3.82Å; I263-L356 HydrophobicContact CG2-CG 4.41Å; D335-L356 HydrophobicContact CB-CD2 4.36Å; D335-L356 WeakPolarHBondContact O-CD2 3.41Å; G337-L356 PolarHBondContact N-O 2.85Å; G337-L356 WeakPolarHBondContact O-CB 3.48Å; G337-L356 PolarHBondContact O-N 2.9Å; Y339-L356 HydrophobicContact CD2-CB 3.96Å; Y339-L356 HydrophobicContact CE2-CB 3.76Å; Y339-L356 HydrophobicContact CE2-CD2 3.63Å; Y339-L356 HydrophobicContact CE2-CG 4.35Å; L356-V358 HydrophobicContact CD2-CG2 4.11Å; L356-V358 HydrophobicContact CG-CG2 4.2Å
357K95.6Very high89.4Confident59 Ų5941 Ų4126%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-110.8108172.2-62.7-56.1-177.2-136.20109.9P254 I255 L256 V257 D336 D355P254-K357 HydrophobicContact CB-CG 3.96Å; I255-K357 PolarHBondContact O-N 2.82Å; L256-K357 WeakPolarHBondContact CA-O 3.37Å; L256-K357 HydrophobicContact CD1-CB 4.03Å; V257-K357 PolarHBondContact N-O 2.86Å; D336-K357 WeakPolarHBondContact OD2-CA 3.45Å; D355-K357 VanDerWaalsContact CG-NZ 3.3Å; D355-K357 WeakPolarHBondContact OD1-CE 3.39Å; D355-K357 IonicContact OD1-NZ 3.62Å; D355-K357 PolarHBondContact OD1-NZ 3.16Å; D355-K357 WeakPolarHBondContact OD2-CE 3.48Å; D355-K357 IonicContact OD2-NZ 3.54Å; D355-K357 PolarHBondContact OD2-NZ 3.22Å
358V96.1Very high90.9Very high0 Ų037.2 Ų37.20%021%0.212CC..EExtended strand (participates in β ladder)trans-86.7135.8173.5-179.80000108.5V257 V259 A331 D335 D336 L356 F387V257-V358 CarbonylContact O-C 3.56Å; V257-V358 VanDerWaalsContact O-CA 3.31Å; V257-V358 WeakPolarHBondContact O-CA 3.4Å; V259-V358 HydrophobicContact CG2-CG1 3.6Å; A331-V358 HydrophobicContact CB-CG1 4.45Å; D335-V358 HydrophobicContact CB-CG2 4.4Å; D336-V358 HydrophobicContact CB-CB 4.12Å; D336-V358 HydrophobicContact CB-CG2 4.17Å; D336-V358 PolarHBondContact OD2-N 3.4Å; L356-V358 HydrophobicContact CD2-CG2 4.11Å; L356-V358 HydrophobicContact CG-CG2 4.2Å; V358-F387 HydrophobicContact CB-CD1 4.29Å; V358-F387 HydrophobicContact CB-CE1 4.09Å; V358-F387 HydrophobicContact CG1-CD1 4.29Å; V358-F387 HydrophobicContact CG1-CE1 4.48Å; V358-F387 WeakPolarHBondContact O-CD1 3.18Å; V358-F387 WeakPolarHBondContact O-CE1 3.47Å
359V95.3Very high92Very high2 Ų238.9 Ų38.91%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-132.1131.3-178.1-66.10000113.2L256 V257 R258 V259 F387 F441 L442L256-V359 HydrophobicContact CD1-CB 4.27Å; L256-V359 HydrophobicContact CD1-CG1 3.49Å; L256-V359 VanDerWaalsContact CD1-CG1 3.49Å; L256-V359 HydrophobicContact CD1-CG2 3.75Å; L256-V359 HydrophobicContact CG-CG2 4.07Å; V257-V359 PolarHBondContact O-N 3.21Å; R258-V359 CarbonylContact C-O 3.31Å; R258-V359 VanDerWaalsContact CA-O 3.24Å; R258-V359 WeakPolarHBondContact CA-O 3.46Å; R258-V359 HydrophobicContact CG-CG2 4.13Å; V259-V359 PolarHBondContact N-O 2.89Å; V359-F387 CarbonylContact C-O 3.54Å; V359-F387 VanDerWaalsContact CA-O 3.31Å; V359-F387 WeakPolarHBondContact CA-O 3.4Å; V359-F441 HydrophobicContact CG1-CE2 3.84Å; V359-F441 HydrophobicContact CG1-CZ 3.82Å; V359-L442 HydrophobicContact CB-CD1 3.8Å; V359-L442 HydrophobicContact CG1-CD1 3.54Å; V359-L442 HydrophobicContact CG2-CD1 4.1Å
360G93.8Very high91.9Very high5 Ų541.3 Ų41.35%0.05224%0.235CC..BIsolated β-bridgetrans-107.3109.216900000108.7G362 G385 W386 F387G360-G362 PolarHBondContact O-N 3.13Å; G360-G385 CarbonylContact C-O 3.53Å; G360-W386 WeakPolarHBondContact O-CA 3.47Å; G360-F387 PolarHBondContact N-O 2.84Å; G360-F387 PolarHBondContact O-N 3.41Å
361L89.9Confident91Very high39 Ų3942.1 Ų42.120%0.20426%0.255CS..  trans-88.594.7169.9-64.2178.3000107R258 L442 E444R258-L361 VanDerWaalsContact CZ-CD1 3.4Å; L361-L442 HydrophobicContact CD2-CD1 4.17Å; L361-E444 WeakPolarHBondContact CD1-OE2 3.28Å
362G90.9Very high89.5Confident6 Ų645.7 Ų45.76%0.06227%0.271CS..  trans-59.2-177.7-172.600000114.7G360 D384 G385 K446G360-G362 PolarHBondContact O-N 3.13Å; G362-D384 CarbonylContact C-O 3.55Å; G362-D384 VanDerWaalsContact C-O 3.31Å; G362-D384 WeakPolarHBondContact CA-O 3.4Å; G362-G385 WeakPolarHBondContact CA-O 3.18Å; G362-K446 WeakPolarHBondContact O-CE 3.43Å; G362-K446 PolarHBondContact O-NZ 3.41Å
363S94Very high87.8Confident54 Ų5453.1 Ų53.138%0.37830%0.304SS..PPolyproline II helixtrans-61160.3176.758.80000111.6S383 D384S363-S383 PolarHBondContact O-OG 3.26Å; S363-S383 PolarHBondContact OG-OG 3.3Å; S363-D384 PolarHBondContact N-O 2.95Å; S363-D384 PolarHBondContact OG-N 3.05Å
364S94.7Very high86.1Confident87 Ų8758.5 Ų58.561%0.60833%0.328SS*.PPolyproline II helixtrans-62.4137.4170.4-610000109.5
365P96.1Very high84.6Confident12 Ų1260.3 Ų60.38%0.07835%0.347CS..PPolyproline II helixtrans-59.6142.2179.719.7-28.3000111.4I437 K446 I447 A448P365-I437 HydrophobicContact CB-CD1 3.85Å; P365-I437 HydrophobicContact CB-CG1 4.42Å; P365-I437 HydrophobicContact CG-CD1 4.37Å; P365-K446 HydrophobicContact CG-CB 4.49Å; P365-I447 VanDerWaalsContact CG-C 3.48Å; P365-A448 HydrophobicContact CB-CB 3.88Å; P365-A448 HydrophobicContact CG-CB 3.69Å; P365-A448 VanDerWaalsContact O-CB 3.3Å; P365-A448 WeakPolarHBondContact O-CB 3.37Å
366L95.4Very high83.5Confident116 Ų11661 Ų6161%0.60735%0.348SS*.EExtended strand (participates in β ladder)trans-116.7128.6174.817865.6000108.8T368 C381 S382L366-T368 HydrophobicContact CD2-CG2 4.33Å; L366-T368 HydrophobicContact CG-CG2 4.28Å; L366-C381 CarbonylContact O-C 3.51Å; L366-C381 WeakPolarHBondContact O-CA 2.99Å; L366-S382 PolarHBondContact N-O 2.86Å; L366-S382 PolarHBondContact O-N 2.82Å
367I93.8Very high82.6Confident23 Ų2361.9 Ų61.912%0.11835%0.352CS..EExtended strand (participates in β ladder)trans-103.5125.9175.3-58.4171.3000109.7P379 M380 C381 W394 C435 A448 F450I367-P379 HydrophobicContact CG2-CB 3.86Å; I367-M380 CarbonylContact C-O 3.44Å; I367-M380 VanDerWaalsContact CA-O 3.24Å; I367-M380 WeakPolarHBondContact CA-O 3.23Å; I367-C381 HydrophobicContact CG1-CB 4.18Å; I367-W394 HydrophobicContact CD1-CH2 4.2Å; I367-W394 HydrophobicContact CD1-CZ3 3.95Å; I367-W394 HydrophobicContact CG1-CH2 4.28Å; I367-W394 HydrophobicContact CG2-CH2 4.38Å; I367-C435 HydrophobicContact CD1-CB 4.02Å; I367-C435 HydrophobicContact CG1-CB 4.33Å; I367-A448 HydrophobicContact CD1-CB 3.92Å; I367-A448 VanDerWaalsContact CD1-O 3.28Å; I367-A448 WeakPolarHBondContact CD1-O 3.32Å; I367-A448 HydrophobicContact CG1-CB 4.04Å; I367-F450 HydrophobicContact CB-CB 4.2Å; I367-F450 HydrophobicContact CD1-CB 3.78Å; I367-F450 HydrophobicContact CG2-CB 3.77Å; I367-F450 HydrophobicContact CG2-CD2 4.01Å; I367-F450 HydrophobicContact CG2-CG 3.92Å
368T91.5Very high82.2Confident57 Ų5761.4 Ų61.435%0.3535%0.351SS..EExtended strand (participates in β ladder)trans-125.1161.7173.455.70000110L366 P379 M380L366-T368 HydrophobicContact CD2-CG2 4.33Å; L366-T368 HydrophobicContact CG-CG2 4.28Å; T368-P379 CarbonylContact O-C 3.59Å; T368-P379 WeakPolarHBondContact O-CA 3.34Å; T368-M380 PolarHBondContact N-O 2.68Å; T368-M380 PolarHBondContact O-N 2.94Å; T368-M380 WeakPolarHBondContact OG1-CE 3.3Å
369V86.4Confident81.9Confident63 Ų6361.4 Ų61.438%0.38235%0.351SS..EExtended strand (participates in β ladder)trans-109.8122.1177.9-177.80000109.5M377 F450V369-M377 HydrophobicContact CG1-CG 3.74Å; V369-M377 HydrophobicContact CG2-CG 4.48Å; V369-M377 HydrophobicContact CG2-SD 4.33Å; V369-F450 HydrophobicContact CG2-CE1 4.14Å; V369-F450 HydrophobicContact CG2-CE2 4.01Å; V369-F450 HydrophobicContact CG2-CZ 3.54Å
370E71.4Confident81.8Confident101 Ų10162.4 Ų62.447%0.47236%0.356SS..EExtended strand (participates in β ladder)trans-102.3101.3176.8-70.8-165.9155.100110.6Q378 M380E370-Q378 PolarHBondContact N-O 3.35Å; E370-Q378 VanDerWaalsContact N-O 3.12Å; E370-M380 HydrophobicContact CG-CE 4.08Å; E370-M380 VanDerWaalsContact OE1-CE 3.26Å; E370-M380 WeakPolarHBondContact OE1-CE 3.38Å
371G64.4Low81.8Confident57 Ų5762.1 Ų62.159%0.58835%0.353SS*.EExtended strand (participates in β ladder)trans78.9153.6171.100000115.7
372Q58.6Low82.1Confident149 Ų14961.4 Ų61.470%0.69635%0.351SS*.EExtended strand (participates in β ladder)trans-141.398.7173.3-171.6176.512.800107.2
373E55.7Low82.4Confident170 Ų17061.1 Ų61.179%0.79435%0.348SS*.EExtended strand (participates in β ladder)trans-120.7131.5169-79-17315700107.9G375 E376E373-G375 VanDerWaalsContact C-N 3.35Å; E373-G375 PolarHBondContact O-N 2.88Å; E373-E376 PolarHBondContact O-N 3.23Å
374D57.9Low82.4Confident173 Ų17362.5 Ų62.593%0.92535%0.352SS*.THydrogen-bonded Turntrans54.634.2174.7-70.6-17.6000117.4E376D374-E376 VanDerWaalsContact C-N 3.27Å; D374-E376 PolarHBondContact O-N 3.05Å
375G63.8Low82.4Confident40 Ų4059.5 Ų59.541%0.41233%0.334SS..THydrogen-bonded Turntrans787.8173.700000114.7E373E373-G375 VanDerWaalsContact C-N 3.35Å; E373-G375 PolarHBondContact O-N 2.88Å
376E70.8Confident82.3Confident69 Ų6959 Ų5932%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-89.6129.9168.8-63.5-165153.600110.4E373 D374 R424 T426E373-E376 PolarHBondContact O-N 3.23Å; D374-E376 VanDerWaalsContact C-N 3.27Å; D374-E376 PolarHBondContact O-N 3.05Å; E376-R424 IonicContact OE1-NH1 3.36Å; E376-R424 WeakPolarHBondContact OE2-CD 3.49Å; E376-R424 IonicContact OE2-CZ 3.06Å; E376-R424 VanDerWaalsContact OE2-CZ 3.27Å; E376-R424 IonicContact OE2-NE 3.71Å; E376-R424 IonicContact OE2-NH1 3.25Å; E376-R424 PolarHBondContact OE2-NH1 3Å; E376-T426 HydrophobicContact CG-CG2 4.16Å; E376-T426 WeakPolarHBondContact OE1-CG2 3.39Å
377M79.1Confident82.3Confident17 Ų1754.6 Ų54.68%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-103.7135.6172.8-172.4-173.9-79.900109.5V369 P379 V425 F450 L452 W455V369-M377 HydrophobicContact CG1-CG 3.74Å; V369-M377 HydrophobicContact CG2-CG 4.48Å; V369-M377 HydrophobicContact CG2-SD 4.33Å; M377-P379 WeakPolarHBondContact O-CD 3.22Å; M377-V425 PolarHBondContact N-O 2.67Å; M377-V425 VanDerWaalsContact N-O 3.09Å; M377-V425 PolarHBondContact O-N 2.88Å; M377-F450 HydrophobicContact SD-CE1 3.67Å; M377-F450 HydrophobicContact SD-CZ 4.26Å; M377-L452 HydrophobicContact SD-CD2 3.56Å; M377-L452 VanDerWaalsContact SD-CD2 3.56Å; M377-W455 HydrophobicContact CE-CB 3.95Å; M377-W455 HydrophobicContact CE-CG 4.41Å
378Q86.6Confident82.3Confident49 Ų4955.2 Ų55.223%0.22931%0.312CS..EExtended strand (participates in β ladder)trans-121.681.6180-156.9173.7-82.100111.7E370 M380 L422 L423E370-Q378 PolarHBondContact N-O 3.35Å; E370-Q378 VanDerWaalsContact N-O 3.12Å; Q378-M380 PolarHBondContact O-N 3Å; Q378-L422 HydrophobicContact CG-CB 4.35Å; Q378-L422 HydrophobicContact CG-CD2 4.07Å; Q378-L423 WeakPolarHBondContact CA-O 3.34Å; Q378-L423 WeakPolarHBondContact CG-O 3.47Å
379P89.9Confident82.4Confident0 Ų058 Ų580%032%0.321CS..EExtended strand (participates in β ladder)trans-65.7133.6171.225.5-33.1000111.3I367 T368 M377 W394 L423 V425I367-P379 HydrophobicContact CG2-CB 3.86Å; T368-P379 CarbonylContact O-C 3.59Å; T368-P379 WeakPolarHBondContact O-CA 3.34Å; M377-P379 WeakPolarHBondContact O-CD 3.22Å; P379-W394 HydrophobicContact CB-CH2 4.27Å; P379-L423 WeakPolarHBondContact CD-O 3.26Å; P379-L423 HydrophobicContact CG-CB 4.15Å; P379-L423 HydrophobicContact CG-CD2 4.45Å; P379-L423 PolarHBondContact O-N 2.89Å; P379-V425 HydrophobicContact CG-CG2 4.26Å
380M92.8Very high82.8Confident23 Ų2355.3 Ų55.311%0.11331%0.305CS..EExtended strand (participates in β ladder)trans-109.6123.4173.9-173.2174.256.600109.3I367 T368 E370 Q378 T421 L422I367-M380 CarbonylContact C-O 3.44Å; I367-M380 VanDerWaalsContact CA-O 3.24Å; I367-M380 WeakPolarHBondContact CA-O 3.23Å; T368-M380 PolarHBondContact N-O 2.68Å; T368-M380 PolarHBondContact O-N 2.94Å; T368-M380 WeakPolarHBondContact OG1-CE 3.3Å; E370-M380 HydrophobicContact CG-CE 4.08Å; E370-M380 VanDerWaalsContact OE1-CE 3.26Å; E370-M380 WeakPolarHBondContact OE1-CE 3.38Å; Q378-M380 PolarHBondContact O-N 3Å; M380-T421 CarbonylContact C-O 3.58Å; M380-T421 WeakPolarHBondContact CA-O 3.09Å; M380-L422 HydrophobicContact CB-CD2 3.43Å; M380-L422 VanDerWaalsContact CB-CD2 3.43Å; M380-L422 HydrophobicContact CG-CD2 3.68Å; M380-L422 HydrophobicContact CG-CG 4.33Å; M380-L422 HydrophobicContact SD-CD2 4.25Å
381C94.8Very high83.9Confident0 Ų055.4 Ų55.40%031%0.306CS..EExtended strand (participates in β ladder)trans-97.1128.1168.2177.80000109.4L366 I367 W394 Q420 T421 C435L366-C381 CarbonylContact O-C 3.51Å; L366-C381 WeakPolarHBondContact O-CA 2.99Å; I367-C381 HydrophobicContact CG1-CB 4.18Å; C381-W394 HydrophobicContact CB-CH2 3.62Å; C381-W394 HydrophobicContact CB-CZ2 3.45Å; C381-W394 VanDerWaalsContact CB-CZ2 3.45Å; C381-Q420 CarbonylContact O-C 3.58Å; C381-Q420 WeakPolarHBondContact O-CA 3.23Å; C381-T421 HydrophobicContact CB-CG2 3.73Å; C381-T421 PolarHBondContact N-O 2.8Å; C381-T421 PolarHBondContact O-N 2.88Å; C381-C435 HydrophobicContact CB-CB 3.52Å; C381-C435 WeakPolarHBondContact CB-SG 3.24Å; C381-C435 WeakPolarHBondContact SG-CB 3.45Å; C381-C435 CovalentContact SG-SG 2.03Å; C381-C435 PolarHBondContact SG-SG 3.17Å
382S96.1Very high85.3Confident23 Ų2353 Ų5316%0.16128%0.279CS..EExtended strand (participates in β ladder)trans-128.5143.5177.8-173.90000112.2L366 H418 V419L366-S382 PolarHBondContact N-O 2.86Å; L366-S382 PolarHBondContact O-N 2.82Å; S382-H418 PolarHBondContact OG-CE1 2.91Å; S382-V419 CarbonylContact C-O 3.57Å; S382-V419 WeakPolarHBondContact CA-O 3.32Å; S382-V419 PolarHBondContact OG-O 3.04Å
383S96.1Very high86.9Confident0 Ų046.1 Ų46.10%025%0.248CC..EExtended strand (participates in β ladder)trans-159.9152178.2-171.30000111.9S363 W386 H418 V419S363-S383 PolarHBondContact O-OG 3.26Å; S363-S383 PolarHBondContact OG-OG 3.3Å; S383-W386 PolarHBondContact OG-NE1 3.13Å; S383-H418 PolarHBondContact O-ND1 3.11Å; S383-V419 PolarHBondContact N-O 2.88Å; S383-V419 PolarHBondContact O-N 2.85Å
384D94.4Very high88.7Confident84 Ų8438.1 Ų38.145%0.44921%0.21SC..EExtended strand (participates in β ladder)trans-127149.4-169-77.8-78.2000112.7G362 S363 H418G362-D384 CarbonylContact C-O 3.55Å; G362-D384 VanDerWaalsContact C-O 3.31Å; G362-D384 WeakPolarHBondContact CA-O 3.4Å; S363-D384 PolarHBondContact N-O 2.95Å; S363-D384 PolarHBondContact OG-N 3.05Å; D384-H418 IonicContact OD1-CE1 3.59Å; D384-H418 IonicContact OD1-CG 3.11Å; D384-H418 IonicContact OD1-ND1 2.68Å; D384-H418 PolarHBondContact OD1-ND1 3.17Å; D384-H418 IonicContact OD2-CE1 3.27Å; D384-H418 IonicContact OD2-ND1 3.56Å; D384-H418 PolarHBondContact OD2-ND1 2.76Å
385G93.8Very high90.3Very high23 Ų2333.1 Ų33.124%0.23718%0.178CC..EExtended strand (participates in β ladder)trans89.524.9166.600000114.9G360 G362 F417G360-G385 CarbonylContact C-O 3.53Å; G362-G385 WeakPolarHBondContact CA-O 3.18Å; G385-F417 PolarHBondContact N-O 2.74Å; G385-F417 VanDerWaalsContact N-O 3.11Å
386W95.1Very high91.4Very high3 Ų332.8 Ų32.81%0.01117%0.167CC..EExtended strand (participates in β ladder)trans-86.5137.6-178.5-64.387.4000112.2G360 S383 P390 F417 V419 I437 I439 K446G360-W386 WeakPolarHBondContact O-CA 3.47Å; S383-W386 PolarHBondContact OG-NE1 3.13Å; W386-P390 HydrophobicContact CB-CB 4.12Å; W386-P390 HydrophobicContact CB-CG 3.67Å; W386-P390 HydrophobicContact CD2-CB 4.16Å; W386-P390 HydrophobicContact CD2-CG 4.36Å; W386-P390 HydrophobicContact CE3-CB 4.03Å; W386-P390 HydrophobicContact CG-CB 4.2Å; W386-P390 HydrophobicContact CG-CG 3.91Å; W386-F417 HydrophobicContact CB-CB 4.15Å; W386-F417 PolarHBondContact N-O 3.09Å; W386-F417 VanDerWaalsContact N-O 3.09Å; W386-F417 WeakPolarHBondContact O-CB 3.42Å; W386-F417 WeakPolarHBondContact O-CD2 3.35Å; W386-F417 PolarHBondContact O-N 2.96Å; W386-V419 HydrophobicContact CG-CG2 4.33Å; W386-I437 HydrophobicContact CD2-CG2 3.67Å; W386-I437 VanDerWaalsContact CE2-CG2 3.42Å; W386-I437 HydrophobicContact CE3-CG2 3.8Å; W386-I437 HydrophobicContact CG-CG2 4.46Å; W386-I437 HydrophobicContact CH2-CB 3.74Å; W386-I437 HydrophobicContact CH2-CG2 3.46Å; W386-I437 VanDerWaalsContact CH2-CG2 3.46Å; W386-I437 HydrophobicContact CZ2-CB 3.64Å; W386-I437 HydrophobicContact CZ2-CD1 4.15Å; W386-I437 HydrophobicContact CZ2-CG1 4.48Å; W386-I437 HydrophobicContact CZ2-CG2 3.34Å; W386-I437 HydrophobicContact CZ3-CB 4.39Å; W386-I437 HydrophobicContact CZ3-CG2 3.7Å; W386-I439 HydrophobicContact CE3-CD1 4.11Å; W386-I439 HydrophobicContact CE3-CG1 4.28Å; W386-K446 HydrophobicContact CH2-CB 3.94Å; W386-K446 HydrophobicContact CH2-CD 3.83Å; W386-K446 HydrophobicContact CH2-CG 3.88Å; W386-K446 HydrophobicContact CZ2-CB 4.3Å; W386-K446 HydrophobicContact CZ2-CD 4.04Å; W386-K446 HydrophobicContact CZ2-CG 4.45Å
387F94.9Very high92Very high22 Ų2234.9 Ų34.910%0.09618%0.178CC..BIsolated β-bridgetrans-155.1139.4168.3-174.2-96.7000110.4P333 D336 V358 V359 G360 G415 L416 F417P333-F387 HydrophobicContact CB-CD1 4.08Å; P333-F387 HydrophobicContact CB-CD2 3.71Å; P333-F387 HydrophobicContact CB-CE1 4.05Å; P333-F387 HydrophobicContact CB-CE2 3.65Å; P333-F387 HydrophobicContact CB-CG 3.93Å; P333-F387 HydrophobicContact CB-CZ 3.82Å; P333-F387 HydrophobicContact CG-CB 4.46Å; P333-F387 HydrophobicContact CG-CD1 4.38Å; P333-F387 HydrophobicContact CG-CD2 4.22Å; P333-F387 HydrophobicContact CG-CG 4.09Å; P333-F387 WeakPolarHBondContact O-CZ 2.8Å; D336-F387 HydrophobicContact CB-CE1 3.81Å; D336-F387 HydrophobicContact CB-CZ 4Å; V358-F387 HydrophobicContact CB-CD1 4.29Å; V358-F387 HydrophobicContact CB-CE1 4.09Å; V358-F387 HydrophobicContact CG1-CD1 4.29Å; V358-F387 HydrophobicContact CG1-CE1 4.48Å; V358-F387 WeakPolarHBondContact O-CD1 3.18Å; V358-F387 WeakPolarHBondContact O-CE1 3.47Å; V359-F387 CarbonylContact C-O 3.54Å; V359-F387 VanDerWaalsContact CA-O 3.31Å; V359-F387 WeakPolarHBondContact CA-O 3.4Å; G360-F387 PolarHBondContact N-O 2.84Å; G360-F387 PolarHBondContact O-N 3.41Å; F387-G415 VanDerWaalsContact CD2-O 3.28Å; F387-G415 WeakPolarHBondContact CD2-O 3.1Å; F387-L416 HydrophobicContact CB-CD2 3.81Å; F387-F417 HydrophobicContact CD2-CD2 4.5Å; F387-F417 HydrophobicContact CD2-CE2 4.29Å
388P94.1Very high92.2Very high36 Ų3641.4 Ų41.423%0.23421%0.208CC..SBendcis-64.9-166.7-10.130.3-35.8000111.5P390 I439 F441P388-P390 WeakPolarHBondContact O-CD 3.37Å; P388-P390 VanDerWaalsContact O-N 3.15Å; P388-I439 HydrophobicContact CG-CG2 4.27Å; P388-I439 VanDerWaalsContact O-CD1 3.31Å; P388-I439 WeakPolarHBondContact O-CD1 3.47Å; P388-F441 HydrophobicContact CG-CE1 3.7Å; P388-F441 HydrophobicContact CG-CZ 3.99Å
389Q93.9Very high92.1Very high116 Ų11640.7 Ų40.754%0.54221%0.214SC..PPolyproline II helixtrans-53122.1-179.9-172.2-178.9-4900111L409 F417Q389-L409 HydrophobicContact CG-CD1 3.67Å; Q389-F417 HydrophobicContact CB-CD2 4.34Å; Q389-F417 HydrophobicContact CB-CE1 4.04Å; Q389-F417 HydrophobicContact CB-CE2 3.85Å; Q389-F417 HydrophobicContact CB-CZ 3.69Å; Q389-F417 HydrophobicContact CG-CD1 4.26Å; Q389-F417 HydrophobicContact CG-CE1 3.94Å; Q389-F417 HydrophobicContact CG-CZ 4.12Å
390P94.6Very high91.9Very high6 Ų647.8 Ų47.84%0.03925%0.245CC..PPolyproline II helixtrans-80.6159.4-175.933.1-36.7000112.7W386 P388 V392 V419 I437 S438 I439W386-P390 HydrophobicContact CB-CB 4.12Å; W386-P390 HydrophobicContact CB-CG 3.67Å; W386-P390 HydrophobicContact CD2-CB 4.16Å; W386-P390 HydrophobicContact CD2-CG 4.36Å; W386-P390 HydrophobicContact CE3-CB 4.03Å; W386-P390 HydrophobicContact CG-CB 4.2Å; W386-P390 HydrophobicContact CG-CG 3.91Å; P388-P390 WeakPolarHBondContact O-CD 3.37Å; P388-P390 VanDerWaalsContact O-N 3.15Å; P390-V392 HydrophobicContact CB-CG2 4.39Å; P390-V392 HydrophobicContact CG-CG2 4.16Å; P390-V419 HydrophobicContact CG-CG2 3.57Å; P390-I437 HydrophobicContact CB-CG2 3.71Å; P390-I437 HydrophobicContact CG-CG2 4.24Å; P390-S438 WeakPolarHBondContact CA-O 3.18Å; P390-I439 HydrophobicContact CB-CD1 4.01Å
391H93.7Very high91.8Very high104 Ų10450.7 Ų50.748%0.48126%0.264SS..BIsolated β-bridgetrans-92.3130.4167.6-173.156.1000109.9P393 I437 S438 P440H391-P393 VanDerWaalsContact CD2-CD 3.45Å; H391-P393 WeakPolarHBondContact CD2-CD 3.42Å; H391-I437 WeakPolarHBondContact O-CA 3.32Å; H391-S438 PolarHBondContact N-O 3.35Å; H391-S438 PolarHBondContact O-N 2.82Å; H391-P440 HydrophobicContact CB-CG 4.34Å
392V93.9Very high91.5Very high5 Ų552.8 Ų52.83%0.0328%0.275CS..  trans-131.367.1-167.4-170.20000112.4P390 L409 V419 T421 S436 I437P390-V392 HydrophobicContact CB-CG2 4.39Å; P390-V392 HydrophobicContact CG-CG2 4.16Å; V392-L409 HydrophobicContact CG2-CD2 4.1Å; V392-V419 HydrophobicContact CB-CG1 4.29Å; V392-V419 HydrophobicContact CG1-CG1 3.7Å; V392-V419 HydrophobicContact CG2-CG1 3.67Å; V392-V419 HydrophobicContact CG2-CG2 4.2Å; V392-T421 HydrophobicContact CG1-CG2 3.66Å; V392-S436 CarbonylContact C-O 3.6Å; V392-S436 VanDerWaalsContact CA-O 3.3Å; V392-S436 WeakPolarHBondContact CA-O 3.36Å; V392-I437 HydrophobicContact CG1-CG1 4.1Å; V392-I437 HydrophobicContact CG2-CG1 4.45Å; V392-I437 HydrophobicContact CG2-CG2 4.18Å
393P92.6Very high91.1Very high6 Ų657 Ų574%0.03930%0.302CS..  trans-79.5140176.130.2-34.3000112.4H391 T401 S436H391-P393 VanDerWaalsContact CD2-CD 3.45Å; H391-P393 WeakPolarHBondContact CD2-CD 3.42Å; P393-T401 HydrophobicContact CB-CG2 3.94Å; P393-S436 WeakPolarHBondContact CD-O 3.3Å; P393-S436 PolarHBondContact O-N 2.92Å
394W93.3Very high90.7Very high2 Ų259.1 Ų59.11%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-80.3145.9157.2-71.391.9000109.9I367 P379 C381 T401 I402 T421 L423 V433 T434 C435I367-W394 HydrophobicContact CD1-CH2 4.2Å; I367-W394 HydrophobicContact CD1-CZ3 3.95Å; I367-W394 HydrophobicContact CG1-CH2 4.28Å; I367-W394 HydrophobicContact CG2-CH2 4.38Å; P379-W394 HydrophobicContact CB-CH2 4.27Å; C381-W394 HydrophobicContact CB-CH2 3.62Å; C381-W394 HydrophobicContact CB-CZ2 3.45Å; C381-W394 VanDerWaalsContact CB-CZ2 3.45Å; W394-T401 CarbonylContact O-C 3.54Å; W394-T401 VanDerWaalsContact O-CA 3.27Å; W394-T401 WeakPolarHBondContact O-CA 3.25Å; W394-I402 HydrophobicContact CB-CB 4.07Å; W394-I402 PolarHBondContact O-N 2.88Å; W394-T421 HydrophobicContact CZ2-CG2 3.91Å; W394-T421 PolarHBondContact NE1-OG1 2.8Å; W394-L423 HydrophobicContact CD2-CB 3.95Å; W394-L423 HydrophobicContact CD2-CD2 4.08Å; W394-L423 HydrophobicContact CE3-CB 4.41Å; W394-L423 HydrophobicContact CE3-CD2 3.95Å; W394-L423 HydrophobicContact CG-CB 4.3Å; W394-L423 HydrophobicContact CG-CD2 4.38Å; W394-L423 HydrophobicContact CZ2-CB 4.07Å; W394-L423 HydrophobicContact CZ3-CD2 4.46Å; W394-V433 HydrophobicContact CE3-CB 4.41Å; W394-V433 HydrophobicContact CE3-CG2 4.47Å; W394-V433 HydrophobicContact CZ3-CG2 4.12Å; W394-T434 CarbonylContact C-O 3.58Å; W394-T434 WeakPolarHBondContact CA-O 3.33Å; W394-C435 HydrophobicContact CD2-CB 4.4Å; W394-C435 HydrophobicContact CE3-CB 4.01Å; W394-C435 HydrophobicContact CH2-CB 4.07Å; W394-C435 HydrophobicContact CZ2-CB 4.43Å; W394-C435 HydrophobicContact CZ3-CB 3.83Å
395R91.4Very high90.4Very high67 Ų6758 Ų5825%0.25332%0.315SS..EExtended strand (participates in β ladder)trans-134.8146.9-179.9-59.9-177.6-173.6-86.42.5111.8G399 K400 T434 S436 E445R395-G399 PolarHBondContact NH1-O 2.94Å; R395-K400 VanDerWaalsContact CA-O 3.27Å; R395-K400 WeakPolarHBondContact CA-O 3.42Å; R395-T434 PolarHBondContact N-O 2.78Å; R395-T434 PolarHBondContact O-N 3.32Å; R395-S436 WeakPolarHBondContact CD-OG 3.37Å; R395-S436 PolarHBondContact NE-OG 3.26Å; R395-E445 IonicContact NE-OE1 3.47Å; R395-E445 IonicContact NH2-OE1 2.89Å; R395-E445 PolarHBondContact NH2-OE1 2.83Å
396D87.1Confident90.3Very high34 Ų3459.4 Ų59.418%0.18232%0.322CS..  trans-81.1-177.5166.260.221.8000111.5E398 G399 K400 I402D396-E398 PolarHBondContact O-N 2.64Å; D396-E398 WeakPolarHBondContact OD1-CA 3.32Å; D396-E398 PolarHBondContact OD1-N 3.37Å; D396-E398 VanDerWaalsContact OD1-N 3.14Å; D396-G399 PolarHBondContact O-N 2.82Å; D396-G399 PolarHBondContact OD1-N 3.14Å; D396-K400 PolarHBondContact N-O 2.7Å; D396-K400 WeakPolarHBondContact OD1-CB 3.45Å; D396-K400 PolarHBondContact OD1-N 3.05Å; D396-K400 WeakPolarHBondContact OD2-CB 3.45Å; D396-I402 HydrophobicContact CB-CD1 3.97Å; D396-I402 HydrophobicContact CB-CG1 4.31Å
397M82.9Confident90.2Very high112 Ų11263.9 Ų63.955%0.55234%0.343SS*.THydrogen-bonded Turntrans-64.3-26.2179-72.5-62.9-77.500113.2V431 D432M397-V431 HydrophobicContact CG-CG1 4.19Å; M397-D432 HydrophobicContact CG-CB 4.36Å; M397-D432 HydrophobicContact SD-CB 3.57Å; M397-D432 VanDerWaalsContact SD-CB 3.57Å
398E85.1Confident90.1Very high154 Ų15464.7 Ų64.772%0.7235%0.354SS*.THydrogen-bonded Turntrans-82.7-1.3175-6372.8-157.500112.4D396 K400D396-E398 PolarHBondContact O-N 2.64Å; D396-E398 WeakPolarHBondContact OD1-CA 3.32Å; D396-E398 PolarHBondContact OD1-N 3.37Å; D396-E398 VanDerWaalsContact OD1-N 3.14Å; E398-K400 VanDerWaalsContact C-N 3.3Å
399G83.5Confident90.1Very high34 Ų3464.8 Ų64.835%0.35135%0.352SS..  trans80.37.1178.700000114.3R395 D396R395-G399 PolarHBondContact NH1-O 2.94Å; D396-G399 PolarHBondContact O-N 2.82Å; D396-G399 PolarHBondContact OD1-N 3.14Å
400K86.9Confident90.1Very high150 Ų15062.8 Ų62.865%0.65235%0.348SS*.PPolyproline II helixtrans-79.7137.8-179.2178.1-172.9177.3-172.80110.4R395 D396 E398 I402R395-K400 VanDerWaalsContact CA-O 3.27Å; R395-K400 WeakPolarHBondContact CA-O 3.42Å; D396-K400 PolarHBondContact N-O 2.7Å; D396-K400 WeakPolarHBondContact OD1-CB 3.45Å; D396-K400 PolarHBondContact OD1-N 3.05Å; D396-K400 WeakPolarHBondContact OD2-CB 3.45Å; E398-K400 VanDerWaalsContact C-N 3.3Å; K400-I402 PolarHBondContact O-N 3.09Å
401T88.9Confident90Very high84 Ų8467.8 Ų67.852%0.51537%0.371SS..EExtended strand (participates in β ladder)trans-65.7128.6-177.4-510000112P393 W394P393-T401 HydrophobicContact CB-CG2 3.94Å; W394-T401 CarbonylContact O-C 3.54Å; W394-T401 VanDerWaalsContact O-CA 3.27Å; W394-T401 WeakPolarHBondContact O-CA 3.25Å
402I88.6Confident89.5Confident43 Ų4365 Ų6522%0.22137%0.37CS..EExtended strand (participates in β ladder)trans-102.1133.2172.9-50174.9000108.2W394 D396 K400 S404 L423 V433W394-I402 HydrophobicContact CB-CB 4.07Å; W394-I402 PolarHBondContact O-N 2.88Å; D396-I402 HydrophobicContact CB-CD1 3.97Å; D396-I402 HydrophobicContact CB-CG1 4.31Å; K400-I402 PolarHBondContact O-N 3.09Å; I402-S404 PolarHBondContact O-N 2.89Å; I402-L423 HydrophobicContact CB-CD1 4.45Å; I402-L423 HydrophobicContact CG2-CD1 3.58Å; I402-V433 HydrophobicContact CD1-CG1 4.22Å
403P88.2Confident88.8Confident111 Ų11170.4 Ų70.472%0.72141%0.408SS*.PPolyproline II helixtrans-67.3127.1175.726.6-33000111.1L423P403-L423 WeakPolarHBondContact O-CD1 3.28Å
404S88.6Confident88.5Confident45 Ų4577.4 Ų77.432%0.31544%0.44SS..PPolyproline II helixtrans-66145.5170.356.90000110.9I402 T421 L422I402-S404 PolarHBondContact O-N 2.89Å; S404-T421 VanDerWaalsContact CB-OG1 3.3Å; S404-T421 WeakPolarHBondContact CB-OG1 3.42Å; S404-L422 CarbonylContact C-O 3.47Å; S404-L422 WeakPolarHBondContact CA-O 3.29Å; S404-L422 WeakPolarHBondContact CB-O 3.3Å
405S88.4Confident88.3Confident60 Ų6078 Ų7842%0.4245%0.446SS..SBendtrans-74.5-32.117159.90000111.8L422S405-L422 PolarHBondContact N-O 3.39Å; S405-L422 VanDerWaalsContact OG-C 3.32Å; S405-L422 PolarHBondContact OG-O 2.85Å; S405-L422 VanDerWaalsContact OG-O 3.04Å
406S90.6Very high88.4Confident54 Ų5477.2 Ų77.238%0.37845%0.447SS..EExtended strand (participates in β ladder)trans-152.7157.1168.172.50000111.9T421 L422S406-T421 WeakPolarHBondContact O-CA 3.49Å; S406-T421 PolarHBondContact O-OG1 3.16Å; S406-T421 VanDerWaalsContact O-OG1 3.05Å; S406-L422 PolarHBondContact N-O 2.85Å; S406-L422 PolarHBondContact O-N 2.95Å; S406-L422 WeakPolarHBondContact OG-CB 3.5Å; S406-L422 VanDerWaalsContact OG-CD1 3.25Å; S406-L422 WeakPolarHBondContact OG-CD1 3.31Å
407Q92.7Very high88.8Confident96 Ų9676.6 Ų76.645%0.44944%0.443SS..EExtended strand (participates in β ladder)trans-143.7124.7176.3-175.2-175.3-61.500109.1L409 Q420Q407-L409 HydrophobicContact CG-CD2 4.46Å; Q407-L409 HydrophobicContact CG-CG 4.26Å; Q407-L409 VanDerWaalsContact NE2-CD1 3.33Å; Q407-Q420 CarbonylContact C-O 3.59Å; Q407-Q420 WeakPolarHBondContact CA-O 3.19Å
408A92.9Very high89.5Confident40 Ų4073.2 Ų73.233%0.33143%0.426SS..EExtended strand (participates in β ladder)trans-118.9120.417300000109.1Q420A408-Q420 HydrophobicContact CB-CB 4.38Å; A408-Q420 PolarHBondContact N-O 2.82Å; A408-Q420 PolarHBondContact O-N 3.04Å; A408-Q420 VanDerWaalsContact O-O 3.11Å
409L93.4Very high90Very high38 Ų3865.9 Ų65.920%0.19939%0.391CS..EExtended strand (participates in β ladder)trans-114.990.7173.8-61.4178.5000107.4Q389 V392 Q407 F417 H418 V419Q389-L409 HydrophobicContact CG-CD1 3.67Å; V392-L409 HydrophobicContact CG2-CD2 4.1Å; Q407-L409 HydrophobicContact CG-CD2 4.46Å; Q407-L409 HydrophobicContact CG-CG 4.26Å; Q407-L409 VanDerWaalsContact NE2-CD1 3.33Å; L409-F417 HydrophobicContact CB-CD1 4.2Å; L409-H418 WeakPolarHBondContact CA-O 3.25Å; L409-V419 HydrophobicContact CD2-CB 4.21Å; L409-V419 HydrophobicContact CD2-CG1 4.05Å; L409-V419 HydrophobicContact CD2-CG2 3.83Å
410T93.8Very high90.5Very high73 Ų7367.7 Ų67.745%0.44839%0.391SS..EExtended strand (participates in β ladder)trans-95.4128.1-175.751.90000110.2F417 H418T410-F417 WeakPolarHBondContact O-CA 3.35Å; T410-H418 PolarHBondContact N-O 3.19Å; T410-H418 PolarHBondContact O-N 2.95Å
411Q93.4Very high90.9Very high112 Ų11260.6 Ų60.652%0.52336%0.36SS..EExtended strand (participates in β ladder)trans-95.8125.5178.7-163.2178.129.300110.5G415 F417Q411-G415 WeakPolarHBondContact CG-O 3.3Å; Q411-G415 PolarHBondContact NE2-O 2.91Å; Q411-F417 HydrophobicContact CB-CD1 4.19Å; Q411-F417 HydrophobicContact CB-CE1 4.01Å; Q411-F417 HydrophobicContact CB-CZ 4.34Å; Q411-F417 HydrophobicContact CG-CE1 4.33Å; Q411-F417 HydrophobicContact CG-CE2 4.3Å; Q411-F417 HydrophobicContact CG-CZ 4.2Å
412G83.9Confident91Very high46 Ų4657.9 Ų57.947%0.47434%0.342SS..  trans-76.6175.4176.200000113.1H414 G415 L416G412-H414 PolarHBondContact O-N 3.19Å; G412-H414 VanDerWaalsContact O-N 3.13Å; G412-G415 PolarHBondContact O-N 3.06Å; G412-L416 PolarHBondContact N-O 2.85Å
413S79.1Confident91.1Very high118 Ų11856.1 Ų56.183%0.82533%0.333SS*.THydrogen-bonded Turntrans-60-23177.754.40000114.3G415S413-G415 VanDerWaalsContact C-N 3.34Å
414H84.7Confident91Very high152 Ų15257.1 Ų57.170%0.70432%0.322SS*.THydrogen-bonded Turntrans-89.85.5176.2-62.1-60.6000113.5P333 G412 L416P333-H414 WeakPolarHBondContact CD-O 3.41Å; P333-H414 WeakPolarHBondContact CG-O 3.36Å; G412-H414 PolarHBondContact O-N 3.19Å; G412-H414 VanDerWaalsContact O-N 3.13Å; H414-L416 VanDerWaalsContact C-N 3.26Å; H414-L416 PolarHBondContact O-N 2.88Å
415G89.7Confident90.6Very high14 Ų1455.8 Ų55.814%0.14431%0.313CS..SBendtrans80.4-2.2177.400000115.2F387 Q411 G412 S413F387-G415 VanDerWaalsContact CD2-O 3.28Å; F387-G415 WeakPolarHBondContact CD2-O 3.1Å; Q411-G415 WeakPolarHBondContact CG-O 3.3Å; Q411-G415 PolarHBondContact NE2-O 2.91Å; G412-G415 PolarHBondContact O-N 3.06Å; S413-G415 VanDerWaalsContact C-N 3.34Å
416L94.6Very high89.8Confident52 Ų5257.8 Ų57.827%0.27232%0.322SS..PPolyproline II helixtrans-81.2141.9175.4-60175.6000111.1V259 P333 F387 G412 H414V259-L416 HydrophobicContact CG2-CD2 4.05Å; P333-L416 HydrophobicContact CG-CD2 3.77Å; P333-L416 HydrophobicContact CG-CG 4.25Å; F387-L416 HydrophobicContact CB-CD2 3.81Å; G412-L416 PolarHBondContact N-O 2.85Å; H414-L416 VanDerWaalsContact C-N 3.26Å; H414-L416 PolarHBondContact O-N 2.88Å
417F95.5Very high88.7Confident21 Ų2160.6 Ų60.69%0.09233%0.333CS..EExtended strand (participates in β ladder)trans-87.3131.6177.7-71-91.9000111.3G385 W386 F387 Q389 L409 T410 Q411G385-F417 PolarHBondContact N-O 2.74Å; G385-F417 VanDerWaalsContact N-O 3.11Å; W386-F417 HydrophobicContact CB-CB 4.15Å; W386-F417 PolarHBondContact N-O 3.09Å; W386-F417 VanDerWaalsContact N-O 3.09Å; W386-F417 WeakPolarHBondContact O-CB 3.42Å; W386-F417 WeakPolarHBondContact O-CD2 3.35Å; W386-F417 PolarHBondContact O-N 2.96Å; F387-F417 HydrophobicContact CD2-CD2 4.5Å; F387-F417 HydrophobicContact CD2-CE2 4.29Å; Q389-F417 HydrophobicContact CB-CD2 4.34Å; Q389-F417 HydrophobicContact CB-CE1 4.04Å; Q389-F417 HydrophobicContact CB-CE2 3.85Å; Q389-F417 HydrophobicContact CB-CZ 3.69Å; Q389-F417 HydrophobicContact CG-CD1 4.26Å; Q389-F417 HydrophobicContact CG-CE1 3.94Å; Q389-F417 HydrophobicContact CG-CZ 4.12Å; L409-F417 HydrophobicContact CB-CD1 4.2Å; T410-F417 WeakPolarHBondContact O-CA 3.35Å; Q411-F417 HydrophobicContact CB-CD1 4.19Å; Q411-F417 HydrophobicContact CB-CE1 4.01Å; Q411-F417 HydrophobicContact CB-CZ 4.34Å; Q411-F417 HydrophobicContact CG-CE1 4.33Å; Q411-F417 HydrophobicContact CG-CE2 4.3Å; Q411-F417 HydrophobicContact CG-CZ 4.2Å
418H95.9Very high87.2Confident40 Ų4059.9 Ų59.919%0.18533%0.331CS..EExtended strand (participates in β ladder)trans-94.2130.1159177.576.4000108.4S382 S383 D384 L409 T410 Q420S382-H418 PolarHBondContact OG-CE1 2.91Å; S383-H418 PolarHBondContact O-ND1 3.11Å; D384-H418 IonicContact OD1-CE1 3.59Å; D384-H418 IonicContact OD1-CG 3.11Å; D384-H418 IonicContact OD1-ND1 2.68Å; D384-H418 PolarHBondContact OD1-ND1 3.17Å; D384-H418 IonicContact OD2-CE1 3.27Å; D384-H418 IonicContact OD2-ND1 3.56Å; D384-H418 PolarHBondContact OD2-ND1 2.76Å; L409-H418 WeakPolarHBondContact CA-O 3.25Å; T410-H418 PolarHBondContact N-O 3.19Å; T410-H418 PolarHBondContact O-N 2.95Å; H418-Q420 VanDerWaalsContact NE2-CD 3.25Å; H418-Q420 WeakPolarHBondContact NE2-CG 3.28Å; H418-Q420 PolarHBondContact NE2-NE2 3.16Å
419V95.7Very high85.5Confident0 Ų060.7 Ų60.70%034%0.335CS..EExtended strand (participates in β ladder)trans-103.9128.2-178.3177.10000108.1S382 S383 W386 P390 V392 L409 I437S382-V419 CarbonylContact C-O 3.57Å; S382-V419 WeakPolarHBondContact CA-O 3.32Å; S382-V419 PolarHBondContact OG-O 3.04Å; S383-V419 PolarHBondContact N-O 2.88Å; S383-V419 PolarHBondContact O-N 2.85Å; W386-V419 HydrophobicContact CG-CG2 4.33Å; P390-V419 HydrophobicContact CG-CG2 3.57Å; V392-V419 HydrophobicContact CB-CG1 4.29Å; V392-V419 HydrophobicContact CG1-CG1 3.7Å; V392-V419 HydrophobicContact CG2-CG1 3.67Å; V392-V419 HydrophobicContact CG2-CG2 4.2Å; L409-V419 HydrophobicContact CD2-CB 4.21Å; L409-V419 HydrophobicContact CD2-CG1 4.05Å; L409-V419 HydrophobicContact CD2-CG2 3.83Å; V419-I437 HydrophobicContact CB-CD1 4.4Å; V419-I437 HydrophobicContact CG1-CD1 4.11Å
420Q95.3Very high83.8Confident73 Ų7362.9 Ų62.934%0.34136%0.359SS..EExtended strand (participates in β ladder)trans-133.7126.2163.3-67.5-179.9-42.100108.7C381 Q407 A408 H418C381-Q420 CarbonylContact O-C 3.58Å; C381-Q420 WeakPolarHBondContact O-CA 3.23Å; Q407-Q420 CarbonylContact C-O 3.59Å; Q407-Q420 WeakPolarHBondContact CA-O 3.19Å; A408-Q420 HydrophobicContact CB-CB 4.38Å; A408-Q420 PolarHBondContact N-O 2.82Å; A408-Q420 PolarHBondContact O-N 3.04Å; A408-Q420 VanDerWaalsContact O-O 3.11Å; H418-Q420 VanDerWaalsContact NE2-CD 3.25Å; H418-Q420 WeakPolarHBondContact NE2-CG 3.28Å; H418-Q420 PolarHBondContact NE2-NE2 3.16Å
421T94.4Very high82.8Confident0 Ų061.9 Ų61.90%035%0.352CS..EExtended strand (participates in β ladder)trans-135.3137.4171.51790000110M380 C381 V392 W394 S404 S406M380-T421 CarbonylContact C-O 3.58Å; M380-T421 WeakPolarHBondContact CA-O 3.09Å; C381-T421 HydrophobicContact CB-CG2 3.73Å; C381-T421 PolarHBondContact N-O 2.8Å; C381-T421 PolarHBondContact O-N 2.88Å; V392-T421 HydrophobicContact CG1-CG2 3.66Å; W394-T421 HydrophobicContact CZ2-CG2 3.91Å; W394-T421 PolarHBondContact NE1-OG1 2.8Å; S404-T421 VanDerWaalsContact CB-OG1 3.3Å; S404-T421 WeakPolarHBondContact CB-OG1 3.42Å; S406-T421 WeakPolarHBondContact O-CA 3.49Å; S406-T421 PolarHBondContact O-OG1 3.16Å; S406-T421 VanDerWaalsContact O-OG1 3.05Å
422L92.4Very high82.3Confident27 Ų2758.3 Ų58.314%0.14134%0.337CS..EExtended strand (participates in β ladder)trans-107.8141.2177-67.5163.3000108.9Q378 M380 S404 S405 S406Q378-L422 HydrophobicContact CG-CB 4.35Å; Q378-L422 HydrophobicContact CG-CD2 4.07Å; M380-L422 HydrophobicContact CB-CD2 3.43Å; M380-L422 VanDerWaalsContact CB-CD2 3.43Å; M380-L422 HydrophobicContact CG-CD2 3.68Å; M380-L422 HydrophobicContact CG-CG 4.33Å; M380-L422 HydrophobicContact SD-CD2 4.25Å; S404-L422 CarbonylContact C-O 3.47Å; S404-L422 WeakPolarHBondContact CA-O 3.29Å; S404-L422 WeakPolarHBondContact CB-O 3.3Å; S405-L422 PolarHBondContact N-O 3.39Å; S405-L422 VanDerWaalsContact OG-C 3.32Å; S405-L422 PolarHBondContact OG-O 2.85Å; S405-L422 VanDerWaalsContact OG-O 3.04Å; S406-L422 PolarHBondContact N-O 2.85Å; S406-L422 PolarHBondContact O-N 2.95Å; S406-L422 WeakPolarHBondContact OG-CB 3.5Å; S406-L422 VanDerWaalsContact OG-CD1 3.25Å; S406-L422 WeakPolarHBondContact OG-CD1 3.31Å
423L90.4Very high82.6Confident6 Ų656.4 Ų56.43%0.03132%0.316CS..  trans-117.5136169.2175.269.2000107.8Q378 P379 W394 I402 P403 V425 V433Q378-L423 WeakPolarHBondContact CA-O 3.34Å; Q378-L423 WeakPolarHBondContact CG-O 3.47Å; P379-L423 WeakPolarHBondContact CD-O 3.26Å; P379-L423 HydrophobicContact CG-CB 4.15Å; P379-L423 HydrophobicContact CG-CD2 4.45Å; P379-L423 PolarHBondContact O-N 2.89Å; W394-L423 HydrophobicContact CD2-CB 3.95Å; W394-L423 HydrophobicContact CD2-CD2 4.08Å; W394-L423 HydrophobicContact CE3-CB 4.41Å; W394-L423 HydrophobicContact CE3-CD2 3.95Å; W394-L423 HydrophobicContact CG-CB 4.3Å; W394-L423 HydrophobicContact CG-CD2 4.38Å; W394-L423 HydrophobicContact CZ2-CB 4.07Å; W394-L423 HydrophobicContact CZ3-CD2 4.46Å; I402-L423 HydrophobicContact CB-CD1 4.45Å; I402-L423 HydrophobicContact CG2-CD1 3.58Å; P403-L423 WeakPolarHBondContact O-CD1 3.28Å; L423-V425 HydrophobicContact CD2-CG2 4Å; L423-V425 HydrophobicContact CG-CG2 4.01Å; L423-V433 HydrophobicContact CD2-CB 4.18Å; L423-V433 HydrophobicContact CD2-CG1 3.99Å; L423-V433 HydrophobicContact CD2-CG2 4.37Å
424R85.9Confident83.3Confident132 Ų13251.7 Ų51.750%0.49828%0.282SS..  trans-101.7122.1174-178178.6-73.1-139.91108.9E376 T426E376-R424 IonicContact OE1-NH1 3.36Å; E376-R424 WeakPolarHBondContact OE2-CD 3.49Å; E376-R424 IonicContact OE2-CZ 3.06Å; E376-R424 VanDerWaalsContact OE2-CZ 3.27Å; E376-R424 IonicContact OE2-NE 3.71Å; E376-R424 IonicContact OE2-NH1 3.25Å; E376-R424 PolarHBondContact OE2-NH1 3Å; R424-T426 HydrophobicContact CG-CG2 4.47Å
425V79.8Confident83.7Confident18 Ų1844.5 Ų44.511%0.10925%0.249CC..BIsolated β-bridgetrans-115.8117.1-178.3-174.80000109.5M377 P379 L423 L452M377-V425 PolarHBondContact N-O 2.67Å; M377-V425 VanDerWaalsContact N-O 3.09Å; M377-V425 PolarHBondContact O-N 2.88Å; P379-V425 HydrophobicContact CG-CG2 4.26Å; L423-V425 HydrophobicContact CD2-CG2 4Å; L423-V425 HydrophobicContact CG-CG2 4.01Å; V425-L452 HydrophobicContact CG1-CD1 3.95Å
426T71.6Confident83.9Confident101 Ų10143.9 Ų43.962%0.6224%0.242SC*.  trans-105.6-12.9-177.954.80000113.6E376 R424E376-T426 HydrophobicContact CG-CG2 4.16Å; E376-T426 WeakPolarHBondContact OE1-CG2 3.39Å; R424-T426 HydrophobicContact CG-CG2 4.47Å
427N67.3Low84Confident114 Ų11441.4 Ų41.461%0.6123%0.229SC*.  trans-126.9100.6-179.8-171.8-19.6000109S429N427-S429 PolarHBondContact O-N 2.74Å; N427-S429 PolarHBondContact OD1-N 2.87Å; N427-S429 PolarHBondContact OD1-OG 2.77Å
428I60.4Low83.8Confident80 Ų8041.3 Ų41.341%0.4123%0.231SC..  trans-81.351-178.5-44.3170.7000109.5L452I428-L452 HydrophobicContact CG2-CB 4.48Å
429S57.9Low83.6Confident57 Ų5739.5 Ų39.540%0.39922%0.223SC..  trans-69.7144.11625.20000107.2N427 V431N427-S429 PolarHBondContact O-N 2.74Å; N427-S429 PolarHBondContact OD1-N 2.87Å; N427-S429 PolarHBondContact OD1-OG 2.77Å; S429-V431 PolarHBondContact O-N 2.91Å
430A58.2Low82.9Confident85 Ų8544.2 Ų44.270%0.70225%0.254SS*.SBendtrans-63.180.9-178.500000111.8
431V71.6Confident82.4Confident52 Ų5246.1 Ų46.132%0.31526%0.261SS..  trans-129.7124.3-178-176.70000107M397 S429 L452M397-V431 HydrophobicContact CG-CG1 4.19Å; S429-V431 PolarHBondContact O-N 2.91Å; V431-L452 WeakPolarHBondContact O-CB 3.29Å; V431-L452 WeakPolarHBondContact O-CD1 3.43Å; V431-L452 WeakPolarHBondContact O-CG 3.39Å
432D84.8Confident81.8Confident37 Ų3747.7 Ų47.720%0.19827%0.269CS..EExtended strand (participates in β ladder)trans-79.1142.1173.2-47.8-41.1000109.3M397 T449 F450 S451M397-D432 HydrophobicContact CG-CB 4.36Å; M397-D432 HydrophobicContact SD-CB 3.57Å; M397-D432 VanDerWaalsContact SD-CB 3.57Å; D432-T449 HydrophobicContact CB-CG2 3.65Å; D432-F450 WeakPolarHBondContact CA-O 3.14Å; D432-S451 VanDerWaalsContact CG-OG 3.31Å; D432-S451 WeakPolarHBondContact OD1-CA 3.47Å; D432-S451 WeakPolarHBondContact OD1-CB 3.34Å; D432-S451 PolarHBondContact OD1-OG 3.47Å
433V89.2Confident80.9Confident6 Ų650.3 Ų50.34%0.03630%0.303CS..EExtended strand (participates in β ladder)trans-110.5139.5175.9-65.70000109.3W394 I402 L423 T449 F450W394-V433 HydrophobicContact CE3-CB 4.41Å; W394-V433 HydrophobicContact CE3-CG2 4.47Å; W394-V433 HydrophobicContact CZ3-CG2 4.12Å; I402-V433 HydrophobicContact CD1-CG1 4.22Å; L423-V433 HydrophobicContact CD2-CB 4.18Å; L423-V433 HydrophobicContact CD2-CG1 3.99Å; L423-V433 HydrophobicContact CD2-CG2 4.37Å; V433-T449 CarbonylContact O-C 3.59Å; V433-T449 WeakPolarHBondContact O-CA 3.11Å; V433-F450 HydrophobicContact CG2-CB 4.17Å; V433-F450 HydrophobicContact CG2-CD1 4.42Å; V433-F450 PolarHBondContact N-O 3.03Å; V433-F450 PolarHBondContact O-N 3.02Å
434T93.3Very high80.4Confident19 Ų1955 Ų5512%0.11732%0.324CS..EExtended strand (participates in β ladder)trans-118.6121.5-178.2-61.10000110.6W394 R395 I447 A448 T449W394-T434 CarbonylContact C-O 3.58Å; W394-T434 WeakPolarHBondContact CA-O 3.33Å; R395-T434 PolarHBondContact N-O 2.78Å; R395-T434 PolarHBondContact O-N 3.32Å; T434-I447 HydrophobicContact CG2-CB 3.86Å; T434-I447 HydrophobicContact CG2-CG2 4.24Å; T434-A448 CarbonylContact C-O 3.56Å; T434-A448 VanDerWaalsContact CA-O 3.3Å; T434-A448 WeakPolarHBondContact CA-O 3.33Å; T434-T449 PolarHBondContact OG1-OG1 2.83Å
435C94.5Very high80.5Confident0 Ų052.8 Ų52.80%032%0.32CS..EExtended strand (participates in β ladder)trans-84.6124.8166.3177.70000108.4I367 C381 W394 I447 A448I367-C435 HydrophobicContact CD1-CB 4.02Å; I367-C435 HydrophobicContact CG1-CB 4.33Å; C381-C435 HydrophobicContact CB-CB 3.52Å; C381-C435 WeakPolarHBondContact CB-SG 3.24Å; C381-C435 WeakPolarHBondContact SG-CB 3.45Å; C381-C435 CovalentContact SG-SG 2.03Å; C381-C435 PolarHBondContact SG-SG 3.17Å; W394-C435 HydrophobicContact CD2-CB 4.4Å; W394-C435 HydrophobicContact CE3-CB 4.01Å; W394-C435 HydrophobicContact CH2-CB 4.07Å; W394-C435 HydrophobicContact CZ2-CB 4.43Å; W394-C435 HydrophobicContact CZ3-CB 3.83Å; C435-I447 CarbonylContact O-C 3.54Å; C435-I447 VanDerWaalsContact O-CA 3.28Å; C435-I447 WeakPolarHBondContact O-CA 3.38Å; C435-A448 PolarHBondContact N-O 3.43Å; C435-A448 PolarHBondContact O-N 2.83Å
436S93.8Very high81.2Confident1 Ų155.2 Ų55.21%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-118.7133.3179.2-37.90000109.9V392 P393 R395 E445V392-S436 CarbonylContact C-O 3.6Å; V392-S436 VanDerWaalsContact CA-O 3.3Å; V392-S436 WeakPolarHBondContact CA-O 3.36Å; P393-S436 WeakPolarHBondContact CD-O 3.3Å; P393-S436 PolarHBondContact O-N 2.92Å; R395-S436 WeakPolarHBondContact CD-OG 3.37Å; R395-S436 PolarHBondContact NE-OG 3.26Å; S436-E445 VanDerWaalsContact CB-CD 3.48Å; S436-E445 WeakPolarHBondContact CB-OE1 3.46Å
437I95Very high82.3Confident0 Ų055.1 Ų55.10%032%0.324CS..EExtended strand (participates in β ladder)trans-126.6123.4179.7-50.8-179.2000108.9P365 W386 P390 H391 V392 V419 E445 K446P365-I437 HydrophobicContact CB-CD1 3.85Å; P365-I437 HydrophobicContact CB-CG1 4.42Å; P365-I437 HydrophobicContact CG-CD1 4.37Å; W386-I437 HydrophobicContact CD2-CG2 3.67Å; W386-I437 VanDerWaalsContact CE2-CG2 3.42Å; W386-I437 HydrophobicContact CE3-CG2 3.8Å; W386-I437 HydrophobicContact CG-CG2 4.46Å; W386-I437 HydrophobicContact CH2-CB 3.74Å; W386-I437 HydrophobicContact CH2-CG2 3.46Å; W386-I437 VanDerWaalsContact CH2-CG2 3.46Å; W386-I437 HydrophobicContact CZ2-CB 3.64Å; W386-I437 HydrophobicContact CZ2-CD1 4.15Å; W386-I437 HydrophobicContact CZ2-CG1 4.48Å; W386-I437 HydrophobicContact CZ2-CG2 3.34Å; W386-I437 HydrophobicContact CZ3-CB 4.39Å; W386-I437 HydrophobicContact CZ3-CG2 3.7Å; P390-I437 HydrophobicContact CB-CG2 3.71Å; P390-I437 HydrophobicContact CG-CG2 4.24Å; H391-I437 WeakPolarHBondContact O-CA 3.32Å; V392-I437 HydrophobicContact CG1-CG1 4.1Å; V392-I437 HydrophobicContact CG2-CG1 4.45Å; V392-I437 HydrophobicContact CG2-CG2 4.18Å; V419-I437 HydrophobicContact CB-CD1 4.4Å; V419-I437 HydrophobicContact CG1-CD1 4.11Å; I437-E445 CarbonylContact O-C 3.59Å; I437-E445 WeakPolarHBondContact O-CA 3.34Å; I437-K446 PolarHBondContact N-O 2.88Å; I437-K446 PolarHBondContact O-N 3.13Å
438S93.3Very high83.5Confident19 Ų1950.5 Ų50.513%0.13330%0.302CS..EExtended strand (participates in β ladder)trans-141.3157.9-17953.50000112.4P390 H391 E444P390-S438 WeakPolarHBondContact CA-O 3.18Å; H391-S438 PolarHBondContact N-O 3.35Å; H391-S438 PolarHBondContact O-N 2.82Å; S438-E444 WeakPolarHBondContact CB-O 3.27Å
439I91.1Very high85Confident2 Ų250.4 Ų50.41%0.0131%0.305CS..  trans-98.3120.4165.8-60.1-60.7000107.3W386 P388 P390 F441 L442W386-I439 HydrophobicContact CE3-CD1 4.11Å; W386-I439 HydrophobicContact CE3-CG1 4.28Å; P388-I439 HydrophobicContact CG-CG2 4.27Å; P388-I439 VanDerWaalsContact O-CD1 3.31Å; P388-I439 WeakPolarHBondContact O-CD1 3.47Å; P390-I439 HydrophobicContact CB-CD1 4.01Å; I439-F441 HydrophobicContact CG2-CD1 3.86Å; I439-F441 HydrophobicContact CG2-CD2 4.34Å; I439-F441 HydrophobicContact CG2-CE1 3.45Å; I439-F441 VanDerWaalsContact CG2-CE1 3.45Å; I439-F441 HydrophobicContact CG2-CE2 3.98Å; I439-F441 HydrophobicContact CG2-CG 4.29Å; I439-F441 HydrophobicContact CG2-CZ 3.52Å; I439-F441 PolarHBondContact O-N 2.84Å; I439-L442 HydrophobicContact CB-CB 3.95Å; I439-L442 HydrophobicContact CB-CD1 3.97Å; I439-L442 HydrophobicContact CG1-CD1 4.35Å; I439-L442 HydrophobicContact CG2-CB 4.17Å; I439-L442 HydrophobicContact CG2-CD1 3.92Å; I439-L442 PolarHBondContact O-N 2.83Å
440P81.5Confident86.4Confident100 Ų10049.2 Ų49.265%0.64929%0.292SS*.THydrogen-bonded Turntrans-53.4-31.1-166.2-31.335.1000116.6H391H391-P440 HydrophobicContact CB-CG 4.34Å
441F84.4Confident87.6Confident113 Ų11347.7 Ų47.750%0.49628%0.277SS..THydrogen-bonded Turntrans-96-4.2-178.158.6-98.3000114.3L256 V359 P388 I439L256-F441 HydrophobicContact CD1-CE2 4.12Å; V359-F441 HydrophobicContact CG1-CE2 3.84Å; V359-F441 HydrophobicContact CG1-CZ 3.82Å; P388-F441 HydrophobicContact CG-CE1 3.7Å; P388-F441 HydrophobicContact CG-CZ 3.99Å; I439-F441 HydrophobicContact CG2-CD1 3.86Å; I439-F441 HydrophobicContact CG2-CD2 4.34Å; I439-F441 HydrophobicContact CG2-CE1 3.45Å; I439-F441 VanDerWaalsContact CG2-CE1 3.45Å; I439-F441 HydrophobicContact CG2-CE2 3.98Å; I439-F441 HydrophobicContact CG2-CG 4.29Å; I439-F441 HydrophobicContact CG2-CZ 3.52Å; I439-F441 PolarHBondContact O-N 2.84Å
442L81Confident87.6Confident32 Ų3245.6 Ų45.617%0.16826%0.264CS..THydrogen-bonded Turntrans-100-8.4-169.6-117.1157.7000113.4L256 V359 L361 I439 E444L256-L442 HydrophobicContact CD2-CD2 4.07Å; L256-L442 HydrophobicContact CD2-CG 4.47Å; V359-L442 HydrophobicContact CB-CD1 3.8Å; V359-L442 HydrophobicContact CG1-CD1 3.54Å; V359-L442 HydrophobicContact CG2-CD1 4.1Å; L361-L442 HydrophobicContact CD2-CD1 4.17Å; I439-L442 HydrophobicContact CB-CB 3.95Å; I439-L442 HydrophobicContact CB-CD1 3.97Å; I439-L442 HydrophobicContact CG1-CD1 4.35Å; I439-L442 HydrophobicContact CG2-CB 4.17Å; I439-L442 HydrophobicContact CG2-CD1 3.92Å; I439-L442 PolarHBondContact O-N 2.83Å; L442-E444 PolarHBondContact O-N 3.43Å
443G74.9Confident86.5Confident83 Ų8347.9 Ų47.986%0.85628%0.283SS*.  trans63.4-11.6177.600000115.6
444E78.6Confident84.8Confident103 Ų10350.6 Ų50.648%0.48131%0.312SS..  trans-90.3132.3176.3-65.4-174.5179.100110.8L361 S438 L442L361-E444 WeakPolarHBondContact CD1-OE2 3.28Å; S438-E444 WeakPolarHBondContact CB-O 3.27Å; L442-E444 PolarHBondContact O-N 3.43Å
445E89.3Confident82.7Confident86 Ų8661.2 Ų61.240%0.40235%0.35SS..EExtended strand (participates in β ladder)trans-126.7135.4178.4-173.3175.5-131.800109.2R395 S436 I437 I447R395-E445 IonicContact NE-OE1 3.47Å; R395-E445 IonicContact NH2-OE1 2.89Å; R395-E445 PolarHBondContact NH2-OE1 2.83Å; S436-E445 VanDerWaalsContact CB-CD 3.48Å; S436-E445 WeakPolarHBondContact CB-OE1 3.46Å; I437-E445 CarbonylContact O-C 3.59Å; I437-E445 WeakPolarHBondContact O-CA 3.34Å; E445-I447 HydrophobicContact CG-CG2 3.95Å
446K93.3Very high82.1Confident69 Ų6964.3 Ų64.330%0.337%0.367SS..EExtended strand (participates in β ladder)trans-104.2130.6169.8-65.1-167.7174.3-162.50109.1G362 P365 W386 I437G362-K446 WeakPolarHBondContact O-CE 3.43Å; G362-K446 PolarHBondContact O-NZ 3.41Å; P365-K446 HydrophobicContact CG-CB 4.49Å; W386-K446 HydrophobicContact CH2-CB 3.94Å; W386-K446 HydrophobicContact CH2-CD 3.83Å; W386-K446 HydrophobicContact CH2-CG 3.88Å; W386-K446 HydrophobicContact CZ2-CB 4.3Å; W386-K446 HydrophobicContact CZ2-CD 4.04Å; W386-K446 HydrophobicContact CZ2-CG 4.45Å; I437-K446 PolarHBondContact N-O 2.88Å; I437-K446 PolarHBondContact O-N 3.13Å
447I94.1Very high81.4Confident99 Ų9967.6 Ų67.651%0.50839%0.386SS..EExtended strand (participates in β ladder)trans-122.7150.7-175.864.3173.6000111.6P365 T434 C435 E445P365-I447 VanDerWaalsContact CG-C 3.48Å; T434-I447 HydrophobicContact CG2-CB 3.86Å; T434-I447 HydrophobicContact CG2-CG2 4.24Å; C435-I447 CarbonylContact O-C 3.54Å; C435-I447 VanDerWaalsContact O-CA 3.28Å; C435-I447 WeakPolarHBondContact O-CA 3.38Å; E445-I447 HydrophobicContact CG-CG2 3.95Å
448A93.8Very high80.7Confident18 Ų1871.4 Ų71.415%0.14941%0.408CS..EExtended strand (participates in β ladder)trans-135.2135.416500000108.8P365 I367 T434 C435P365-A448 HydrophobicContact CB-CB 3.88Å; P365-A448 HydrophobicContact CG-CB 3.69Å; P365-A448 VanDerWaalsContact O-CB 3.3Å; P365-A448 WeakPolarHBondContact O-CB 3.37Å; I367-A448 HydrophobicContact CD1-CB 3.92Å; I367-A448 VanDerWaalsContact CD1-O 3.28Å; I367-A448 WeakPolarHBondContact CD1-O 3.32Å; I367-A448 HydrophobicContact CG1-CB 4.04Å; T434-A448 CarbonylContact C-O 3.56Å; T434-A448 VanDerWaalsContact CA-O 3.3Å; T434-A448 WeakPolarHBondContact CA-O 3.33Å; C435-A448 PolarHBondContact N-O 3.43Å; C435-A448 PolarHBondContact O-N 2.83Å
449T91.6Very high80Confident78 Ų7874.5 Ų74.548%0.47942%0.424SS..EExtended strand (participates in β ladder)trans-113136-179-55.70000109.2D432 V433 T434D432-T449 HydrophobicContact CB-CG2 3.65Å; V433-T449 CarbonylContact O-C 3.59Å; V433-T449 WeakPolarHBondContact O-CA 3.11Å; T434-T449 PolarHBondContact OG1-OG1 2.83Å
450F87.9Confident79.3Confident31 Ų3179 Ų7914%0.13645%0.45CS..EExtended strand (participates in β ladder)trans-120.8124.3176.8-179.5-97.2000109.6I367 V369 M377 D432 V433 L452I367-F450 HydrophobicContact CB-CB 4.2Å; I367-F450 HydrophobicContact CD1-CB 3.78Å; I367-F450 HydrophobicContact CG2-CB 3.77Å; I367-F450 HydrophobicContact CG2-CD2 4.01Å; I367-F450 HydrophobicContact CG2-CG 3.92Å; V369-F450 HydrophobicContact CG2-CE1 4.14Å; V369-F450 HydrophobicContact CG2-CE2 4.01Å; V369-F450 HydrophobicContact CG2-CZ 3.54Å; M377-F450 HydrophobicContact SD-CE1 3.67Å; M377-F450 HydrophobicContact SD-CZ 4.26Å; D432-F450 WeakPolarHBondContact CA-O 3.14Å; V433-F450 HydrophobicContact CG2-CB 4.17Å; V433-F450 HydrophobicContact CG2-CD1 4.42Å; V433-F450 PolarHBondContact N-O 3.03Å; V433-F450 PolarHBondContact O-N 3.02Å; F450-L452 HydrophobicContact CD1-CD2 4.09Å; F450-L452 HydrophobicContact CE1-CD2 3.94Å
451S82.2Confident79.1Confident54 Ų5477.6 Ų77.638%0.37844%0.436SS..EExtended strand (participates in β ladder)trans-88.3120.5179.4-68.70000111.7D432 S453D432-S451 VanDerWaalsContact CG-OG 3.31Å; D432-S451 WeakPolarHBondContact OD1-CA 3.47Å; D432-S451 WeakPolarHBondContact OD1-CB 3.34Å; D432-S451 PolarHBondContact OD1-OG 3.47Å; S451-S453 PolarHBondContact O-N 3.28Å
452L72.1Confident78.7Confident8 Ų875.1 Ų75.14%0.04243%0.432CS..G310 helixtrans-73.1-10.1171.9-61.5178.2000112.4M377 V425 I428 V431 F450 G454M377-L452 HydrophobicContact SD-CD2 3.56Å; M377-L452 VanDerWaalsContact SD-CD2 3.56Å; V425-L452 HydrophobicContact CG1-CD1 3.95Å; I428-L452 HydrophobicContact CG2-CB 4.48Å; V431-L452 WeakPolarHBondContact O-CB 3.29Å; V431-L452 WeakPolarHBondContact O-CD1 3.43Å; V431-L452 WeakPolarHBondContact O-CG 3.39Å; F450-L452 HydrophobicContact CD1-CD2 4.09Å; F450-L452 HydrophobicContact CE1-CD2 3.94Å; L452-G454 VanDerWaalsContact C-N 3.3Å; L452-G454 PolarHBondContact O-N 3.03Å
453S60.8Low78.6Confident85 Ų8578.4 Ų78.459%0.59445%0.453SS*.G310 helixtrans-82.113.8-170.656.30000116.2S451S451-S453 PolarHBondContact O-N 3.28Å
454G53.6Low78.9Confident62 Ų6278 Ų7864%0.63942%0.419SS*.G310 helixtrans-128.18.6-175.700000116.1L452L452-G454 VanDerWaalsContact C-N 3.3Å; L452-G454 PolarHBondContact O-N 3.03Å
455W49.1Very low78.9Confident243 Ų24375.7 Ų75.792%0.9241%0.413SS*.  trans-135.60-170.8-70.590.8000113.1M377M377-W455 HydrophobicContact CE-CB 3.95Å; M377-W455 HydrophobicContact CE-CG 4.41Å

Retrieved 455 of 455 residues in 92.7 ms (Link to these results)