X6RDH7_HUMAN Loading...

Fibrinogen C domain containing 1

AlphaFold DB , UniProt , Accession X6RDH7, Species HUMAN (Homo sapiens, Human), Gene FIBCD1, Length 289 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
1M41.7Very low37.3Very low237 Ų237159.4 Ų159.4100%1.16784%0.843SS**  070.50-59.9165.878.300106.5
2V33.9Very low37.1Very low138 Ų138153.5 Ų153.584%0.83683%0.834SS**  55.495.858.1-1750000113.3
3N35.9Very low37.8Very low114 Ų114150.2 Ų150.261%0.6184%0.84SS**  trans49.2127.2131.8-127.753.7000119.8
4D42.6Very low37.7Very low128 Ų128152.1 Ų152.168%0.68484%0.839SS**  174122.2104.1-90.3-34.8000111.2
5R39.7Very low38Very low244 Ų244153.2 Ų153.292%0.92184%0.842SS**  -173.8114.8117-116.4176.9177.8179.5-0.5112.3
6W38.1Very low38.1Very low217 Ų217155.8 Ų155.882%0.82285%0.846SS**  trans-75.6169.9168.8-73.476.7000113
7K41.4Very low38.1Very low196 Ų196155.8 Ų155.885%0.85285%0.846SS**  trans102.8125.4163.3-74.8178168.41710113.8
8T36.9Very low38.1Very low121 Ų121159.5 Ų159.574%0.74285%0.845SS**  cis-154.213029.639.40000110
9M32Very low38.4Very low195 Ų195157.1 Ų157.196%0.96184%0.84SS**  44.7121.3102-91.7-179175.600116.6
10G32.3Very low38.8Very low81 Ų81161.1 Ų161.184%0.83584%0.842SS**  trans123.294.1134.600000117.6
11G36.1Very low39.2Very low82 Ų82161 Ų16185%0.84584%0.843SS**  trans52120.1131.100000121
12A35.1Very low39.4Very low89 Ų89158.4 Ų158.474%0.73683%0.825SS**  -176.6123.3116.900000109.2Q14A12-Q14 PolarHBondContact O-N 2.81Å
13A45.8Very low40.1Very low110 Ų110157.7 Ų157.791%0.90982%0.823SS**  trans-60.9122.8159.300000107.9
14Q36.8Very low41.3Very low177 Ų177161.2 Ų161.283%0.82784%0.836SS**  trans-134.3117168-161.6155.6-26.900108.8A12 E16A12-Q14 PolarHBondContact O-N 2.81Å; Q14-E16 PolarHBondContact O-N 3.48Å
15L41.9Very low42.2Very low169 Ų169166.1 Ų166.189%0.88585%0.845SS**  trans-40.4119.3176-84.472.1000111.3D17L15-D17 PolarHBondContact O-N 3.25Å; L15-D17 VanDerWaalsContact O-N 3.14Å
16E39.3Very low43.1Very low195 Ų195158.4 Ų158.491%0.91183%0.826SS**  trans-71.2101.8160-98.91677900108.6Q14 R18Q14-E16 PolarHBondContact O-N 3.48Å; E16-R18 PolarHBondContact O-N 3.21Å
17D38.3Very low44.7Very low156 Ų156151.9 Ų151.983%0.83481%0.814SS**  trans-63.6106.7166.2-166.319.3000108.5L15 P19L15-D17 PolarHBondContact O-N 3.25Å; L15-D17 VanDerWaalsContact O-N 3.14Å; D17-P19 WeakPolarHBondContact O-CD 3.41Å
18R37.6Very low46Very low222 Ų222147.9 Ų147.984%0.83881%0.81SS**  trans-64.2120.6174.8-96.5-90.8179.8162.7-3108.5E16 R20E16-R18 PolarHBondContact O-N 3.21Å; R18-R20 PolarHBondContact O-N 2.98Å; R18-R20 VanDerWaalsContact O-N 3.07Å
19P45.1Very low48.1Very low114 Ų114144.3 Ų144.374%0.7480%0.797SS**  trans-65.8119173.619.3-18.1000108.4D17 D21D17-P19 WeakPolarHBondContact O-CD 3.41Å; P19-D21 PolarHBondContact O-N 3.06Å
20R46.2Very low50.5Low236 Ų236142.2 Ų142.289%0.89178%0.779SS**  trans-61.4103.7175-165168.9-170.3142.4-1.1108.3R18 K22R18-R20 PolarHBondContact O-N 2.98Å; R18-R20 VanDerWaalsContact O-N 3.07Å; R20-K22 PolarHBondContact O-N 3.43Å
21D45.7Very low53.1Low160 Ų160141.4 Ų141.486%0.85676%0.758SS**  trans-53.2110.9173.5-94.7-40.7000109.2P19P19-D21 PolarHBondContact O-N 3.06Å
22K46Very low55.6Low183 Ų183142.7 Ų142.780%0.79675%0.745SS**  trans-73.6134.1170.1-70.8178.6-178.6175.40107R20 Q24R20-K22 PolarHBondContact O-N 3.43Å; K22-Q24 PolarHBondContact O-N 2.9Å
23P49.2Very low58.2Low123 Ų123141.6 Ų141.680%0.79973%0.731SS**  trans-62.3107.6175.125.5-31.4000108.4R25P23-R25 PolarHBondContact O-N 3.49Å
24Q60.8Low60.3Low187 Ų187139.1 Ų139.187%0.87471%0.705SS**  trans-63.6109.1170.1-81179.1-5.700107K22K22-Q24 PolarHBondContact O-N 2.9Å
25R61.4Low63Low232 Ų232134.2 Ų134.288%0.87569%0.687SS**PPolyproline II helixtrans-55.8124.1169.9-71.2180179.1-179.9-1106.8P23 S27P23-R25 PolarHBondContact O-N 3.49Å; R25-S27 PolarHBondContact O-N 3.43Å
26P58.7Low65.5Low81 Ų81131.1 Ų131.153%0.52667%0.67SS.*PPolyproline II helixtrans-57.8129.7179.824.9-33.2000107.7C28 Y30 V31P26-C28 PolarHBondContact O-N 3.05Å; P26-Y30 HydrophobicContact CB-CD1 3.99Å; P26-V31 HydrophobicContact CB-CG2 3.73Å; P26-V31 HydrophobicContact CG-CG2 3.66Å
27S72.1Confident68.1Low80 Ų80126.9 Ų126.956%0.55965%0.654SS**PPolyproline II helixtrans-55.8142.617878.10000108.3R25 G29 Y30 V31R25-S27 PolarHBondContact O-N 3.43Å; S27-G29 PolarHBondContact O-N 3.4Å; S27-Y30 WeakPolarHBondContact O-CB 3.43Å; S27-Y30 PolarHBondContact O-N 2.96Å; S27-Y30 PolarHBondContact OG-N 3.48Å; S27-V31 PolarHBondContact O-N 3.16Å
28C68.3Low70.8Confident113 Ų113122 Ų12276%0.76464%0.635SS**Hα-helixtrans-50.4-32.9-179.8-171.20000111.8P26 L32P26-C28 PolarHBondContact O-N 3.05Å; C28-L32 WeakPolarHBondContact O-CB 3.44Å; C28-L32 PolarHBondContact O-N 2.89Å
29G81.8Confident73.6Confident46 Ų46115.8 Ų115.847%0.47462%0.618SS.*Hα-helixtrans-67.2-36.2173.800000114.9S27 C33S27-G29 PolarHBondContact O-N 3.4Å; G29-C33 VanDerWaalsContact O-CB 3.22Å; G29-C33 WeakPolarHBondContact O-CB 3.45Å; G29-C33 PolarHBondContact O-N 3.41Å
30Y82.5Confident76Confident150 Ų150113 Ų11359%0.58860%0.604SS**Hα-helixtrans-69.5-40.5176.1-175.5-96.8000111.8P26 S27 C33 T34P26-Y30 HydrophobicContact CB-CD1 3.99Å; S27-Y30 WeakPolarHBondContact O-CB 3.43Å; S27-Y30 PolarHBondContact O-N 2.96Å; S27-Y30 PolarHBondContact OG-N 3.48Å; Y30-C33 PolarHBondContact O-N 3.35Å; Y30-T34 HydrophobicContact CD1-CG2 4.21Å; Y30-T34 HydrophobicContact CE1-CG2 3.84Å; Y30-T34 HydrophobicContact CE2-CG2 4.47Å; Y30-T34 WeakPolarHBondContact O-CG2 3.39Å; Y30-T34 PolarHBondContact O-N 2.88Å; Y30-T34 PolarHBondContact O-OG1 3.5Å
31V86.4Confident78.4Confident65 Ų65106.1 Ų106.139%0.39459%0.588SS.*Hα-helixtrans-65.5-43.7175-176.30000110.5P26 S27 C33 T34 V35P26-V31 HydrophobicContact CB-CG2 3.73Å; P26-V31 HydrophobicContact CG-CG2 3.66Å; S27-V31 PolarHBondContact O-N 3.16Å; V31-C33 VanDerWaalsContact C-N 3.35Å; V31-C33 PolarHBondContact O-N 3Å; V31-T34 WeakPolarHBondContact CA-OG1 3.47Å; V31-T34 PolarHBondContact O-N 3.3Å; V31-T34 PolarHBondContact O-OG1 3.5Å; V31-V35 VanDerWaalsContact O-CG2 3.27Å; V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 3.32Å
32L89.2Confident80.7Confident109 Ų109104.1 Ų104.157%0.57158%0.577SS**Hα-helixtrans-61.9-43.4175.8-169.871.7000111.6C28 V35 L36C28-L32 WeakPolarHBondContact O-CB 3.44Å; C28-L32 PolarHBondContact O-N 2.89Å; L32-V35 PolarHBondContact O-N 3.46Å; L32-L36 HydrophobicContact CG-CD1 4.16Å; L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.37Å; L32-L36 PolarHBondContact O-N 3.2Å
33C89.8Confident83.1Confident66 Ų66100.9 Ų100.945%0.44657%0.568SS.*Hα-helixtrans-63.9-44178.9-171.90000112.1G29 Y30 V31 V35 L36 L37G29-C33 VanDerWaalsContact O-CB 3.22Å; G29-C33 WeakPolarHBondContact O-CB 3.45Å; G29-C33 PolarHBondContact O-N 3.41Å; Y30-C33 PolarHBondContact O-N 3.35Å; V31-C33 VanDerWaalsContact C-N 3.35Å; V31-C33 PolarHBondContact O-N 3Å; C33-V35 PolarHBondContact O-N 3Å; C33-L36 PolarHBondContact O-N 2.97Å; C33-L37 WeakPolarHBondContact O-CB 3.38Å; C33-L37 VanDerWaalsContact O-CG 3.31Å; C33-L37 WeakPolarHBondContact O-CG 3.35Å; C33-L37 PolarHBondContact O-N 3.26Å
34T88.9Confident85.3Confident57 Ų5797.6 Ų97.635%0.3555%0.551SS.*Hα-helixtrans-65.1-38.6177.749.80000112.4Y30 V31 L37 A38Y30-T34 HydrophobicContact CD1-CG2 4.21Å; Y30-T34 HydrophobicContact CE1-CG2 3.84Å; Y30-T34 HydrophobicContact CE2-CG2 4.47Å; Y30-T34 WeakPolarHBondContact O-CG2 3.39Å; Y30-T34 PolarHBondContact O-N 2.88Å; Y30-T34 PolarHBondContact O-OG1 3.5Å; V31-T34 WeakPolarHBondContact CA-OG1 3.47Å; V31-T34 PolarHBondContact O-N 3.3Å; V31-T34 PolarHBondContact O-OG1 3.5Å; T34-L37 PolarHBondContact O-N 2.98Å; T34-A38 WeakPolarHBondContact O-CB 3.33Å; T34-A38 PolarHBondContact O-N 2.74Å
35V93.9Very high86.9Confident74 Ų7493.2 Ų93.245%0.44854%0.537SS..Hα-helixtrans-65.1-44.3174.1172.20000111.2V31 L32 C33 L37 A38 L39V31-V35 VanDerWaalsContact O-CG2 3.27Å; V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 3.32Å; L32-V35 PolarHBondContact O-N 3.46Å; C33-V35 PolarHBondContact O-N 3Å; V35-L37 PolarHBondContact O-N 3.42Å; V35-A38 PolarHBondContact O-N 3.11Å; V35-L39 HydrophobicContact CG1-CD1 4.06Å; V35-L39 HydrophobicContact CG1-CG 4.49Å; V35-L39 WeakPolarHBondContact O-CG 3.4Å; V35-L39 PolarHBondContact O-N 3.25Å
36L94.1Very high88.5Confident104 Ų10485 Ų8555%0.54552%0.518SS..Hα-helixtrans-64-40.4177.9-71.5172.5000112.2L32 C33 L39 A40L32-L36 HydrophobicContact CG-CD1 4.16Å; L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.37Å; L32-L36 PolarHBondContact O-N 3.2Å; C33-L36 PolarHBondContact O-N 2.97Å; L36-L39 PolarHBondContact O-N 2.92Å; L36-A40 WeakPolarHBondContact O-CB 3.31Å; L36-A40 PolarHBondContact O-N 3.22Å
37L94.8Very high90.2Very high107 Ų10785.5 Ų85.556%0.5652%0.52SS*.Hα-helixtrans-65.1-42.4174.8-72.1173.1000111.8C33 T34 V35 L39 A40 V41C33-L37 WeakPolarHBondContact O-CB 3.38Å; C33-L37 VanDerWaalsContact O-CG 3.31Å; C33-L37 WeakPolarHBondContact O-CG 3.35Å; C33-L37 PolarHBondContact O-N 3.26Å; T34-L37 PolarHBondContact O-N 2.98Å; V35-L37 PolarHBondContact O-N 3.42Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 2.95Å; L37-A40 PolarHBondContact O-N 3.01Å; L37-V41 WeakPolarHBondContact O-CG2 3.36Å; L37-V41 PolarHBondContact O-N 2.78Å
38A94.3Very high91.2Very high53 Ų5385.5 Ų85.544%0.43852%0.517SS..Hα-helixtrans-62.6-41.8176.200000112T34 V35 V41 L42T34-A38 WeakPolarHBondContact O-CB 3.33Å; T34-A38 PolarHBondContact O-N 2.74Å; V35-A38 PolarHBondContact O-N 3.11Å; A38-V41 PolarHBondContact O-N 3.11Å; A38-L42 WeakPolarHBondContact O-CB 3.41Å; A38-L42 WeakPolarHBondContact O-CG 3.47Å; A38-L42 PolarHBondContact O-N 2.91Å
39L95.9Very high92.3Very high91 Ų9181.9 Ų81.948%0.47650%0.498SS..Hα-helixtrans-63.4-42174.4-72.1171.5000111.8V35 L36 L37 V41 L42 L43V35-L39 HydrophobicContact CG1-CD1 4.06Å; V35-L39 HydrophobicContact CG1-CG 4.49Å; V35-L39 WeakPolarHBondContact O-CG 3.4Å; V35-L39 PolarHBondContact O-N 3.25Å; L36-L39 PolarHBondContact O-N 2.92Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 2.95Å; L39-V41 PolarHBondContact O-N 3.24Å; L39-L42 PolarHBondContact O-N 3.34Å; L39-L43 WeakPolarHBondContact O-CB 3.49Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 3.08Å
40A95.8Very high92.6Very high55 Ų5582 Ų8246%0.45550%0.495SS..Hα-helixtrans-62.7-41.9176.600000112.1L36 L37 L43 A44L36-A40 WeakPolarHBondContact O-CB 3.31Å; L36-A40 PolarHBondContact O-N 3.22Å; L37-A40 PolarHBondContact O-N 3.01Å; A40-L43 PolarHBondContact O-N 3.33Å; A40-A44 WeakPolarHBondContact O-CB 3.39Å; A40-A44 PolarHBondContact O-N 3.02Å
41V95.9Very high92.7Very high92 Ų9278.4 Ų78.456%0.55849%0.488SS*.Hα-helixtrans-66.1-43.7176.1172.70000111.2L37 A38 L39 L43 A44 V45L37-V41 WeakPolarHBondContact O-CG2 3.36Å; L37-V41 PolarHBondContact O-N 2.78Å; A38-V41 PolarHBondContact O-N 3.11Å; L39-V41 PolarHBondContact O-N 3.24Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 3.43Å; V41-A44 PolarHBondContact O-N 3.04Å; V41-V45 HydrophobicContact CG1-CG2 4.39Å; V41-V45 WeakPolarHBondContact O-CG2 3.33Å; V41-V45 PolarHBondContact O-N 2.95Å
42L95Very high92.4Very high118 Ų11879.8 Ų79.862%0.61849%0.493SS*.Hα-helixtrans-61.7-41.6176.7-76.8169.1000111.9A38 L39 V45 A46A38-L42 WeakPolarHBondContact O-CB 3.41Å; A38-L42 WeakPolarHBondContact O-CG 3.47Å; A38-L42 PolarHBondContact O-N 2.91Å; L39-L42 PolarHBondContact O-N 3.34Å; L42-V45 PolarHBondContact O-N 3.43Å; L42-A46 VanDerWaalsContact O-CB 3.27Å; L42-A46 WeakPolarHBondContact O-CB 3.45Å; L42-A46 PolarHBondContact O-N 3.46Å
43L95.9Very high91.8Very high116 Ų11681.5 Ų81.561%0.60750%0.496SS*.Hα-helixtrans-64.1-43.6174.5-74.1171.7000111.5L39 A40 V41 A46 V47L39-L43 WeakPolarHBondContact O-CB 3.49Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 3.08Å; A40-L43 PolarHBondContact O-N 3.33Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 3.43Å; L43-A46 PolarHBondContact O-N 2.89Å; L43-V47 WeakPolarHBondContact O-CB 3.46Å; L43-V47 VanDerWaalsContact O-CG2 3.23Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.39Å
44A94.9Very high91.1Very high53 Ų5383.5 Ų83.544%0.43850%0.502SS..Hα-helixtrans-60.3-47.3176.200000111.4A40 V41 A46 V47 T48A40-A44 WeakPolarHBondContact O-CB 3.39Å; A40-A44 PolarHBondContact O-N 3.02Å; V41-A44 PolarHBondContact O-N 3.04Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 3.36Å; A44-V47 PolarHBondContact O-N 3.47Å; A44-T48 WeakPolarHBondContact O-CB 3.38Å; A44-T48 PolarHBondContact O-N 3.23Å; A44-T48 PolarHBondContact O-OG1 2.98Å
45V95.3Very high90.1Very high96 Ų9686.3 Ų86.358%0.58251%0.514SS*.Hα-helixtrans-62.6-40.9176.91730000111.5V41 L42 G49V41-V45 HydrophobicContact CG1-CG2 4.39Å; V41-V45 WeakPolarHBondContact O-CG2 3.33Å; V41-V45 PolarHBondContact O-N 2.95Å; L42-V45 PolarHBondContact O-N 3.43Å; V45-G49 WeakPolarHBondContact O-CA 3.42Å; V45-G49 PolarHBondContact O-N 2.76Å
46A93.8Very high88.3Confident59 Ų5989.4 Ų89.449%0.48852%0.524SS..Hα-helixtrans-66.2-41.317700000112L42 L43 A44 G49 A50L42-A46 VanDerWaalsContact O-CB 3.27Å; L42-A46 WeakPolarHBondContact O-CB 3.45Å; L42-A46 PolarHBondContact O-N 3.46Å; L43-A46 PolarHBondContact O-N 2.89Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 3.36Å; A46-G49 PolarHBondContact O-N 3.33Å; A46-A50 VanDerWaalsContact O-CB 3.27Å; A46-A50 WeakPolarHBondContact O-CB 3.25Å; A46-A50 PolarHBondContact O-N 3.15Å
47V95.6Very high86.3Confident91 Ų9187.3 Ų87.355%0.55252%0.522SS*.Hα-helixtrans-67.3-46.3176.4170.90000110.4L43 A44 G49 A50 V51L43-V47 WeakPolarHBondContact O-CB 3.46Å; L43-V47 VanDerWaalsContact O-CG2 3.23Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.39Å; A44-V47 PolarHBondContact O-N 3.47Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 3.46Å; V47-A50 PolarHBondContact O-N 2.98Å; V47-V51 HydrophobicContact CG1-CG2 4.38Å; V47-V51 WeakPolarHBondContact O-CB 3.2Å; V47-V51 VanDerWaalsContact O-CG2 3.27Å; V47-V51 WeakPolarHBondContact O-CG2 3.43Å; V47-V51 PolarHBondContact O-N 2.92Å
48T92.4Very high83.8Confident81 Ų8189.8 Ų89.850%0.49753%0.53SS..Hα-helixtrans-62.1-40.9174.9-53.50000111A44 V51 L52A44-T48 WeakPolarHBondContact O-CB 3.38Å; A44-T48 PolarHBondContact O-N 3.23Å; A44-T48 PolarHBondContact O-OG1 2.98Å; T48-V51 PolarHBondContact O-N 3.19Å; T48-L52 HydrophobicContact CG2-CD1 4.11Å; T48-L52 HydrophobicContact CG2-CG 4.43Å; T48-L52 VanDerWaalsContact O-CB 3.3Å; T48-L52 WeakPolarHBondContact O-CB 3.45Å; T48-L52 VanDerWaalsContact O-CG 3.24Å; T48-L52 WeakPolarHBondContact O-CG 3.08Å; T48-L52 PolarHBondContact O-N 3.4Å
49G92.6Very high81.4Confident37 Ų3790.2 Ų90.238%0.38153%0.533SS..Hα-helixtrans-62.5-41.3174.100000112.5V45 A46 V47 F53V45-G49 WeakPolarHBondContact O-CA 3.42Å; V45-G49 PolarHBondContact O-N 2.76Å; A46-G49 PolarHBondContact O-N 3.33Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 3.46Å; G49-F53 WeakPolarHBondContact O-CB 3.48Å; G49-F53 PolarHBondContact O-N 2.88Å
50A87.4Confident78.7Confident48 Ų4891 Ų9140%0.39754%0.544SS..Hα-helixtrans-69.1-39.3175.500000112.1A46 V47 F53 L54A46-A50 VanDerWaalsContact O-CB 3.27Å; A46-A50 WeakPolarHBondContact O-CB 3.25Å; A46-A50 PolarHBondContact O-N 3.15Å; V47-A50 PolarHBondContact O-N 2.98Å; A50-F53 CarbonylContact O-C 3.59Å; A50-F53 PolarHBondContact O-N 3.34Å; A50-L54 VanDerWaalsContact O-CB 3.31Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 WeakPolarHBondContact O-CG 3.35Å; A50-L54 PolarHBondContact O-N 2.95Å
51V84.7Confident76.1Confident75 Ų7591.3 Ų91.346%0.45555%0.553SS.*Hα-helixtrans-65.7-44174.31700000110.5V47 T48 F53 L54 N55V47-V51 HydrophobicContact CG1-CG2 4.38Å; V47-V51 WeakPolarHBondContact O-CB 3.2Å; V47-V51 VanDerWaalsContact O-CG2 3.27Å; V47-V51 WeakPolarHBondContact O-CG2 3.43Å; V47-V51 PolarHBondContact O-N 2.92Å; T48-V51 PolarHBondContact O-N 3.19Å; V51-F53 VanDerWaalsContact C-N 3.33Å; V51-L54 PolarHBondContact O-N 3.11Å; V51-N55 VanDerWaalsContact O-CB 3.28Å; V51-N55 WeakPolarHBondContact O-CB 3.19Å; V51-N55 PolarHBondContact O-N 3.28Å
52L79.7Confident73.7Confident94 Ų9494 Ų9449%0.49257%0.57SS.*Hα-helixtrans-63.8-39.4173.4-74.2172.3000111.4T48 N55 H56T48-L52 HydrophobicContact CG2-CD1 4.11Å; T48-L52 HydrophobicContact CG2-CG 4.43Å; T48-L52 VanDerWaalsContact O-CB 3.3Å; T48-L52 WeakPolarHBondContact O-CB 3.45Å; T48-L52 VanDerWaalsContact O-CG 3.24Å; T48-L52 WeakPolarHBondContact O-CG 3.08Å; T48-L52 PolarHBondContact O-N 3.4Å; L52-N55 PolarHBondContact O-N 3.08Å; L52-H56 VanDerWaalsContact O-CB 3.25Å; L52-H56 WeakPolarHBondContact O-CB 3.07Å; L52-H56 PolarHBondContact O-CD2 3.35Å; L52-H56 PolarHBondContact O-N 3.03Å
53F77Confident71.1Confident145 Ų14591.6 Ų91.664%0.63657%0.566SS**Hα-helixtrans-69-37.7176.4-176.9-96.3000111.9G49 A50 V51 H56 A57G49-F53 WeakPolarHBondContact O-CB 3.48Å; G49-F53 PolarHBondContact O-N 2.88Å; A50-F53 CarbonylContact O-C 3.59Å; A50-F53 PolarHBondContact O-N 3.34Å; V51-F53 VanDerWaalsContact C-N 3.33Å; F53-H56 CarbonylContact O-C 3.55Å; F53-H56 PolarHBondContact O-N 2.89Å; F53-A57 HydrophobicContact CE1-CB 4.47Å; F53-A57 WeakPolarHBondContact O-CA 3.33Å; F53-A57 WeakPolarHBondContact O-CB 3.47Å; F53-A57 PolarHBondContact O-N 3.01Å
54L75.4Confident68.8Low108 Ų10890 Ų9057%0.56556%0.563SS**Hα-helixtrans-72.1-34.1174.9-73.4167.5000111.8A50 V51 H58A50-L54 VanDerWaalsContact O-CB 3.31Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 WeakPolarHBondContact O-CG 3.35Å; A50-L54 PolarHBondContact O-N 2.95Å; V51-L54 PolarHBondContact O-N 3.11Å; L54-H58 PolarHBondContact O-N 3.41Å; L54-H58 VanDerWaalsContact O-N 3.17Å; L54-H58 PolarHBondContact O-ND1 2.99Å
55N66.7Low66.5Low115 Ų11591 Ų9162%0.61557%0.565SS**Hα-helixtrans-68.9-37.6169.9-87.7-17.6000112V51 L52V51-N55 VanDerWaalsContact O-CB 3.28Å; V51-N55 WeakPolarHBondContact O-CB 3.19Å; V51-N55 PolarHBondContact O-N 3.28Å; L52-N55 PolarHBondContact O-N 3.08Å
56H57.6Low64.2Low140 Ų14090 Ų9065%0.64856%0.56SS**Hα-helixtrans-80-27175.2-90.6-58.6000113.4L52 F53 H58 A59L52-H56 VanDerWaalsContact O-CB 3.25Å; L52-H56 WeakPolarHBondContact O-CB 3.07Å; L52-H56 PolarHBondContact O-CD2 3.35Å; L52-H56 PolarHBondContact O-N 3.03Å; F53-H56 CarbonylContact O-C 3.55Å; F53-H56 PolarHBondContact O-N 2.89Å; H56-H58 PolarHBondContact O-N 3.35Å; H56-A59 WeakPolarHBondContact O-CA 3.21Å; H56-A59 VanDerWaalsContact O-CB 3.23Å; H56-A59 WeakPolarHBondContact O-CB 2.99Å; H56-A59 PolarHBondContact O-N 2.88Å
57A50.5Low62Low60 Ų6090.2 Ų90.250%0.49656%0.556SS.*Hα-helixtrans-73.1-19.4172.100000111.2F53F53-A57 HydrophobicContact CE1-CB 4.47Å; F53-A57 WeakPolarHBondContact O-CA 3.33Å; F53-A57 WeakPolarHBondContact O-CB 3.47Å; F53-A57 PolarHBondContact O-N 3.01Å
58H43Very low59.8Low159 Ų15987.6 Ų87.674%0.73654%0.539SS*.THydrogen-bonded Turntrans-8110.5161.2-87.486.8000113.9L54 H56 P60L54-H58 PolarHBondContact O-N 3.41Å; L54-H58 VanDerWaalsContact O-N 3.17Å; L54-H58 PolarHBondContact O-ND1 2.99Å; H56-H58 PolarHBondContact O-N 3.35Å; H58-P60 WeakPolarHBondContact O-CD 3.46Å
59A43.4Very low57.6Low61 Ų6186.6 Ų86.650%0.50454%0.536SS..  trans-94.683.6155.400000108.2H56 G61H56-A59 WeakPolarHBondContact O-CA 3.21Å; H56-A59 VanDerWaalsContact O-CB 3.23Å; H56-A59 WeakPolarHBondContact O-CB 2.99Å; H56-A59 PolarHBondContact O-N 2.88Å; A59-G61 PolarHBondContact O-N 3.4Å
60P40.8Very low55.6Low108 Ų10888.6 Ų88.670%0.70154%0.541SS*.  trans-57.6134.1158.228.3-29.9000106.4H58H58-P60 WeakPolarHBondContact O-CD 3.46Å
61G40.7Very low53.7Low62 Ų6288.3 Ų88.364%0.63954%0.543SS*.THydrogen-bonded Turntrans-47.1142.4-168.400000112.5A59 A63A59-G61 PolarHBondContact O-N 3.4Å; G61-A63 PolarHBondContact O-N 2.71Å
62T45.2Very low51.7Low149 Ų14989.4 Ų89.491%0.91456%0.56SS**THydrogen-bonded Turntrans6.765.1159.1560000115
63A40.3Very low49.9Very low66 Ų6689.7 Ų89.755%0.54558%0.576SS.*PPolyproline II helixtrans-76124.3160.400000103.2G61G61-A63 PolarHBondContact O-N 2.71Å
64P47.4Very low48.2Very low82 Ų8286.9 Ų86.953%0.53257%0.574SS.*PPolyproline II helixtrans-50.5144.3174.122.2-31000108.4
65P46.5Very low46.7Very low74 Ų7485.8 Ų85.848%0.48158%0.581SS.*PPolyproline II helixtrans-49.4138.2174.223.8-33.6000107.6V67P65-V67 WeakPolarHBondContact O-CG2 3.45Å; P65-V67 PolarHBondContact O-N 3.09Å
66P46.8Very low45.8Very low75 Ų7584.5 Ų84.549%0.48757%0.574SS.*  trans-53.3100.6-17121.3-33.6000109.4V68 E83 Q179P66-V68 PolarHBondContact O-N 3.04Å; P66-E83 VanDerWaalsContact CB-O 3.26Å; P66-E83 WeakPolarHBondContact CB-O 3.45Å; P66-Q179 PolarHBondContact O-NE2 3.29Å
67V47.9Very low45.3Very low65 Ų6579.7 Ų79.739%0.39456%0.556SS.*  trans-82.5108.2-172.7-1760000105.7P65 S69P65-V67 WeakPolarHBondContact O-CG2 3.45Å; P65-V67 PolarHBondContact O-N 3.09Å; V67-S69 VanDerWaalsContact CG1-OG 3.3Å; V67-S69 WeakPolarHBondContact CG1-OG 3.46Å; V67-S69 PolarHBondContact O-N 3.4Å
68V49.1Very low45.3Very low35 Ų3578.7 Ų78.721%0.21255%0.547CS..EExtended strand (participates in β ladder)trans-70.891164.2-177.20000106.5P66 T70 V80P66-V68 PolarHBondContact O-N 3.04Å; V68-T70 PolarHBondContact O-N 3.02Å; V68-V80 HydrophobicContact CG1-CG1 4.4Å
69S47.2Very low45.8Very low61 Ų6174.2 Ų74.243%0.42753%0.528SS..EExtended strand (participates in β ladder)trans-86109.6173.2-67.40000107.9V67 G71 T81V67-S69 VanDerWaalsContact CG1-OG 3.3Å; V67-S69 WeakPolarHBondContact CG1-OG 3.46Å; V67-S69 PolarHBondContact O-N 3.4Å; S69-G71 PolarHBondContact O-N 2.85Å; S69-T81 PolarHBondContact O-N 3.02Å; S69-T81 PolarHBondContact O-OG1 2.74Å
70T50.2Low46.5Very low78 Ų7872.2 Ų72.248%0.47951%0.51SS..EExtended strand (participates in β ladder)trans-81.4110.6162.849.60000106.9V68 A72V68-T70 PolarHBondContact O-N 3.02Å; T70-A72 PolarHBondContact O-N 2.73Å
71G47.8Very low47.3Very low43 Ų4369 Ų6944%0.44349%0.489SS..  trans-59.2138.5175.400000110.4S69 A73 L79S69-G71 PolarHBondContact O-N 2.85Å; G71-A73 PolarHBondContact O-N 3.17Å; G71-L79 PolarHBondContact N-O 2.79Å; G71-L79 VanDerWaalsContact N-O 3.13Å
72A42.7Very low48.1Very low98 Ų9868.5 Ų68.581%0.8147%0.473SS*.  trans-54.2131.6176.800000110T70 S74T70-A72 PolarHBondContact O-N 2.73Å; A72-S74 VanDerWaalsContact C-N 3.28Å; A72-S74 PolarHBondContact O-N 2.98Å
73A41.6Very low48.3Very low100 Ų10065.9 Ų65.983%0.82645%0.45SS*.  trans-57.987.4178.300000110.7G71G71-A73 PolarHBondContact O-N 3.17Å
74S41.2Very low49Very low85 Ų8570.7 Ų70.759%0.59446%0.455SS*.BIsolated β-bridgetrans-91.4156.9161.9870000108.7A72 N76 S77A72-S74 VanDerWaalsContact C-N 3.28Å; A72-S74 PolarHBondContact O-N 2.98Å; S74-N76 PolarHBondContact O-N 3.38Å; S74-S77 PolarHBondContact O-N 2.89Å
75A44.3Very low48.8Very low86 Ų8671.2 Ų71.271%0.71147%0.466SS*.THydrogen-bonded Turntrans-53.6-5.5-154.100000118.4
76N49Very low48.8Very low88 Ų8872 Ų7247%0.47147%0.466SS..THydrogen-bonded Turntrans-14010.8-174.7-62-50.7000117.2S74 R97S74-N76 PolarHBondContact O-N 3.38Å; N76-R97 VanDerWaalsContact OD1-CZ 3.23Å; N76-R97 PolarHBondContact OD1-NH1 2.7Å
77S45.9Very low49.1Very low39 Ų3973.3 Ų73.327%0.27348%0.477SS..BIsolated β-bridgetrans-169.9128.2172.453.30000113.4S74 L79 L93S74-S77 PolarHBondContact O-N 2.89Å; S77-L79 PolarHBondContact O-N 3.39Å; S77-L93 VanDerWaalsContact CB-CD1 3.47Å
78A50.8Low49.1Very low38 Ų3872.6 Ų72.631%0.31448%0.475SS..EExtended strand (participates in β ladder)trans-87.1100.8159.200000107.7I94A78-I94 HydrophobicContact CB-CB 4.15Å; A78-I94 PolarHBondContact N-O 3.04Å; A78-I94 PolarHBondContact O-N 2.94Å
79L52.4Low49.3Very low65 Ų6577.5 Ų77.534%0.3450%0.495SS..EExtended strand (participates in β ladder)trans-91.5112.7178-171.473.5000108.6G71 S77 T81 L93G71-L79 PolarHBondContact N-O 2.79Å; G71-L79 VanDerWaalsContact N-O 3.13Å; S77-L79 PolarHBondContact O-N 3.39Å; L79-T81 HydrophobicContact CD2-CG2 3.86Å; L79-T81 HydrophobicContact CG-CG2 3.92Å; L79-L93 HydrophobicContact CD1-CB 4.5Å; L79-L93 HydrophobicContact CD1-CD1 3.67Å
80V59.8Low49.7Very low19 Ų1979.8 Ų79.812%0.11550%0.502CS..EExtended strand (participates in β ladder)trans-98.6109170.2-177.10000107.3V68 V82 I92 I94V68-V80 HydrophobicContact CG1-CG1 4.4Å; V80-V82 HydrophobicContact CG1-CG2 4.43Å; V80-I92 HydrophobicContact CB-CB 4.41Å; V80-I92 PolarHBondContact N-O 3.18Å; V80-I92 PolarHBondContact O-N 3.35Å; V80-I94 HydrophobicContact CG2-CD1 4.24Å
81T56.4Low49.8Very low42 Ų4279.5 Ų79.526%0.25850%0.503SS..EExtended strand (participates in β ladder)trans-100.3120.117452.20000109.6S69 L79 L90S69-T81 PolarHBondContact O-N 3.02Å; S69-T81 PolarHBondContact O-OG1 2.74Å; L79-T81 HydrophobicContact CD2-CG2 3.86Å; L79-T81 HydrophobicContact CG-CG2 3.92Å; T81-L90 CarbonylContact C-O 3.59Å; T81-L90 WeakPolarHBondContact CA-O 3.45Å
82V58.5Low50.4Low51 Ų5181 Ų8131%0.30950%0.5SS..EExtended strand (participates in β ladder)trans-102.9111.8171.4-176.70000107.9V80 H89 L90V80-V82 HydrophobicContact CG1-CG2 4.43Å; V82-H89 CarbonylContact O-C 3.54Å; V82-H89 WeakPolarHBondContact O-CA 3.44Å; V82-L90 HydrophobicContact CB-CB 4.38Å; V82-L90 PolarHBondContact N-O 3.29Å; V82-L90 PolarHBondContact O-N 2.94Å
83E48.3Very low50.9Low94 Ų9481.9 Ų81.944%0.43949%0.491SS..EExtended strand (participates in β ladder)trans-90.1117.8174.9-162.4173.2-174.900109.4P66P66-E83 VanDerWaalsContact CB-O 3.26Å; P66-E83 WeakPolarHBondContact CB-O 3.45Å
84R54.8Low51.8Low167 Ų16779.9 Ų79.963%0.6347%0.465SS*.  trans-89.5152179.7-177.6-173.6-81-163.2-0.5109.7D86 S87 S88R84-D86 VanDerWaalsContact CB-OD1 3.25Å; R84-D86 WeakPolarHBondContact CB-OD1 3.47Å; R84-D86 WeakPolarHBondContact CD-OD1 3.37Å; R84-D86 WeakPolarHBondContact CD-OD2 3.48Å; R84-D86 WeakPolarHBondContact CG-OD1 3.34Å; R84-D86 IonicContact NH1-OD2 2.87Å; R84-D86 PolarHBondContact O-N 3.25Å; R84-S87 PolarHBondContact O-N 2.9Å; R84-S88 WeakPolarHBondContact CB-O 3.42Å; R84-S88 PolarHBondContact N-O 3.11Å
85A44.9Very low52.3Low93 Ų9379.3 Ų79.377%0.76946%0.456SS*.THydrogen-bonded Turntrans-58.1-12.1-178.400000115.4S87A85-S87 VanDerWaalsContact C-N 3.34Å
86D45.3Very low52.6Low91 Ų9178.9 Ų78.949%0.48745%0.445SS..THydrogen-bonded Turntrans-93.513.5174.8613.2000112.9R84 S88R84-D86 VanDerWaalsContact CB-OD1 3.25Å; R84-D86 WeakPolarHBondContact CB-OD1 3.47Å; R84-D86 WeakPolarHBondContact CD-OD1 3.37Å; R84-D86 WeakPolarHBondContact CD-OD2 3.48Å; R84-D86 WeakPolarHBondContact CG-OD1 3.34Å; R84-D86 IonicContact NH1-OD2 2.87Å; R84-D86 PolarHBondContact O-N 3.25Å; D86-S88 PolarHBondContact O-N 2.96Å; D86-S88 VanDerWaalsContact OD1-CB 3.31Å; D86-S88 WeakPolarHBondContact OD1-CB 3.37Å; D86-S88 PolarHBondContact OD1-N 3.4Å; D86-S88 PolarHBondContact OD1-OG 3.49Å; D86-S88 PolarHBondContact OD2-OG 3.15Å
87S52.5Low52.8Low101 Ų10182.2 Ų82.271%0.70645%0.452SS*.SBendtrans64.812.3-174.465.80000115.6R84 A85R84-S87 PolarHBondContact O-N 2.9Å; A85-S87 VanDerWaalsContact C-N 3.34Å
88S49.4Very low53.3Low51 Ų5185 Ų8536%0.35747%0.47SS..  trans-81.6135.5168.868.30000110.9R84 D86R84-S88 WeakPolarHBondContact CB-O 3.42Å; R84-S88 PolarHBondContact N-O 3.11Å; D86-S88 PolarHBondContact O-N 2.96Å; D86-S88 VanDerWaalsContact OD1-CB 3.31Å; D86-S88 WeakPolarHBondContact OD1-CB 3.37Å; D86-S88 PolarHBondContact OD1-N 3.4Å; D86-S88 PolarHBondContact OD1-OG 3.49Å; D86-S88 PolarHBondContact OD2-OG 3.15Å
89H52.4Low53.6Low138 Ų13887.7 Ų87.764%0.63948%0.484SS*.EExtended strand (participates in β ladder)trans-114.1124.1177.160-84.1000110.3V82V82-H89 CarbonylContact O-C 3.54Å; V82-H89 WeakPolarHBondContact O-CA 3.44Å
90L56.3Low54.1Low108 Ų10888.5 Ų88.557%0.56549%0.489SS*.EExtended strand (participates in β ladder)trans-93.8112.2171.4-17386.6000108.3T81 V82 I92T81-L90 CarbonylContact C-O 3.59Å; T81-L90 WeakPolarHBondContact CA-O 3.45Å; V82-L90 HydrophobicContact CB-CB 4.38Å; V82-L90 PolarHBondContact N-O 3.29Å; V82-L90 PolarHBondContact O-N 2.94Å; L90-I92 HydrophobicContact CD2-CD1 3.85Å; L90-I92 HydrophobicContact CD2-CG1 3.85Å; L90-I92 HydrophobicContact CG-CG1 4.25Å
91S52.5Low54.3Low72 Ų7291.3 Ų91.350%0.50350%0.503SS..EExtended strand (participates in β ladder)trans-96.4109.1173.8570000110.4
92I59Low54.9Low76 Ų7691.3 Ų91.339%0.3950%0.503SS..EExtended strand (participates in β ladder)trans-96114171.5-55.4174.9000107.6V80 L90 I94V80-I92 HydrophobicContact CB-CB 4.41Å; V80-I92 PolarHBondContact N-O 3.18Å; V80-I92 PolarHBondContact O-N 3.35Å; L90-I92 HydrophobicContact CD2-CD1 3.85Å; L90-I92 HydrophobicContact CD2-CG1 3.85Å; L90-I92 HydrophobicContact CG-CG1 4.25Å; I92-I94 HydrophobicContact CG2-CG1 4.21Å
93L54.6Low55.5Low116 Ų11693.8 Ų93.861%0.60751%0.514SS*.EExtended strand (participates in β ladder)trans-91.6109.1174.9-162.980.6000108.7S77 L79S77-L93 VanDerWaalsContact CB-CD1 3.47Å; L79-L93 HydrophobicContact CD1-CB 4.5Å; L79-L93 HydrophobicContact CD1-CD1 3.67Å
94I59.1Low56.5Low57 Ų5791.9 Ų91.929%0.29251%0.512SS..EExtended strand (participates in β ladder)trans-94.2107.8170.7-55.1168.8000106.1A78 V80 I92 P96A78-I94 HydrophobicContact CB-CB 4.15Å; A78-I94 PolarHBondContact N-O 3.04Å; A78-I94 PolarHBondContact O-N 2.94Å; V80-I94 HydrophobicContact CG2-CD1 4.24Å; I92-I94 HydrophobicContact CG2-CG1 4.21Å; I94-P96 WeakPolarHBondContact O-CD 3.47Å
95D51.3Low57.3Low73 Ų7386 Ų8639%0.3949%0.491SS..  trans-68.5113.6174.3-170.7-14.2000109.2R97 C98D95-R97 PolarHBondContact O-N 2.66Å; D95-R97 WeakPolarHBondContact OD1-CB 3.44Å; D95-R97 PolarHBondContact OD1-N 3.4Å; D95-C98 PolarHBondContact O-N 3.28Å
96P51.7Low58.8Low77 Ų7784 Ų8450%0.547%0.474SS..THydrogen-bonded Turntrans-72.4-8.8-179.930.9-35.6000112.5I94I94-P96 WeakPolarHBondContact O-CD 3.47Å
97R52.2Low60.4Low159 Ų15987.8 Ų87.860%0.648%0.482SS*.THydrogen-bonded Turntrans-102.821-179.9-57.1-176.2-60.7-170.12.9112.8N76 D95 P99N76-R97 VanDerWaalsContact OD1-CZ 3.23Å; N76-R97 PolarHBondContact OD1-NH1 2.7Å; D95-R97 PolarHBondContact O-N 2.66Å; D95-R97 WeakPolarHBondContact OD1-CB 3.44Å; D95-R97 PolarHBondContact OD1-N 3.4Å; R97-P99 WeakPolarHBondContact O-CD 3.46Å
98C56.3Low61.6Low96 Ų9687.3 Ų87.365%0.64947%0.471SS*.  trans-56.9111.2165.9-85.80000108.4D95 D100D95-C98 PolarHBondContact O-N 3.28Å; C98-D100 PolarHBondContact O-N 2.79Å
99P58.9Low63Low96 Ų9688.9 Ų88.962%0.62347%0.472SS*.  trans-60.2137.9-178.820-26.2000109.2R97 L101R97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-L101 HydrophobicContact CB-CD1 4.11Å; P99-L101 HydrophobicContact CG-CD1 3.75Å; P99-L101 WeakPolarHBondContact O-CD1 3.44Å; P99-L101 PolarHBondContact O-N 3.46Å
100D60.9Low64.4Low81 Ų8185.5 Ų85.543%0.43346%0.464SS..  trans-75.791.6174-16740.6000108.7C98 T102 R162C98-D100 PolarHBondContact O-N 2.79Å; D100-T102 PolarHBondContact O-N 3.48Å; D100-T102 PolarHBondContact OD1-OG1 3Å; D100-T102 PolarHBondContact OD2-OG1 3.17Å; D100-R162 IonicContact OD1-CZ 3.19Å; D100-R162 IonicContact OD1-NH1 2.79Å; D100-R162 PolarHBondContact OD1-NH1 2.64Å; D100-R162 IonicContact OD1-NH2 2.66Å; D100-R162 PolarHBondContact OD1-NH2 2.95Å
101L64.6Low65.6Low78 Ų7882.9 Ų82.941%0.40846%0.458SS..THydrogen-bonded Turntrans-71.4-5-176.4-88.189.7000113.4P99 D103 S104 F105P99-L101 HydrophobicContact CB-CD1 4.11Å; P99-L101 HydrophobicContact CG-CD1 3.75Å; P99-L101 WeakPolarHBondContact O-CD1 3.44Å; P99-L101 PolarHBondContact O-N 3.46Å; L101-D103 VanDerWaalsContact C-N 3.29Å; L101-D103 PolarHBondContact O-N 2.91Å; L101-S104 VanDerWaalsContact C-OG 3.28Å; L101-S104 WeakPolarHBondContact CA-OG 3.07Å; L101-S104 PolarHBondContact O-N 3.32Å; L101-S104 VanDerWaalsContact O-N 3.09Å; L101-S104 PolarHBondContact O-OG 3.44Å; L101-F105 HydrophobicContact CB-CD2 3.68Å; L101-F105 HydrophobicContact CB-CE2 3.41Å; L101-F105 VanDerWaalsContact CB-CE2 3.41Å; L101-F105 HydrophobicContact CB-CZ 4.35Å; L101-F105 HydrophobicContact CD2-CE2 3.67Å; L101-F105 HydrophobicContact CD2-CZ 3.77Å; L101-F105 HydrophobicContact CG-CE2 4.18Å; L101-F105 WeakPolarHBondContact O-CD2 3.47Å; L101-F105 PolarHBondContact O-N 3.26Å
102T70.1Confident66.8Low42 Ų4280.8 Ų80.826%0.25844%0.44SS..Hα-helixtrans-54.4-44.8-178.5-8.90000112.2D100 F105 A106D100-T102 PolarHBondContact O-N 3.48Å; D100-T102 PolarHBondContact OD1-OG1 3Å; D100-T102 PolarHBondContact OD2-OG1 3.17Å; T102-F105 PolarHBondContact O-N 3.25Å; T102-A106 WeakPolarHBondContact O-CB 3.35Å; T102-A106 PolarHBondContact O-N 2.68Å
103D70.2Confident67.8Low103 Ų10380 Ų8055%0.55145%0.446SS*.Hα-helixtrans-72.5-29.3179.4-76.4-13.4000113.4L101 R107L101-D103 VanDerWaalsContact C-N 3.29Å; L101-D103 PolarHBondContact O-N 2.91Å; D103-R107 WeakPolarHBondContact O-CB 3.3Å; D103-R107 WeakPolarHBondContact O-CG 3.4Å; D103-R107 PolarHBondContact O-N 2.94Å; D103-R107 PolarHBondContact O-NE 2.95Å
104S70.1Confident69.2Low55 Ų5578.2 Ų78.239%0.38544%0.443SS..Hα-helixtrans-73.9-37.1173.840.90000111.9L101 L108L101-S104 VanDerWaalsContact C-OG 3.28Å; L101-S104 WeakPolarHBondContact CA-OG 3.07Å; L101-S104 PolarHBondContact O-N 3.32Å; L101-S104 VanDerWaalsContact O-N 3.09Å; L101-S104 PolarHBondContact O-OG 3.44Å; S104-L108 WeakPolarHBondContact O-CB 3.13Å; S104-L108 PolarHBondContact O-N 3.37Å
105F71.7Confident70.4Confident43 Ų4378.9 Ų78.919%0.18945%0.449CS..Hα-helixtrans-68.8-44.3175.4-74.2-60.1000111.6L101 T102 R107 L108 E109L101-F105 HydrophobicContact CB-CD2 3.68Å; L101-F105 HydrophobicContact CB-CE2 3.41Å; L101-F105 VanDerWaalsContact CB-CE2 3.41Å; L101-F105 HydrophobicContact CB-CZ 4.35Å; L101-F105 HydrophobicContact CD2-CE2 3.67Å; L101-F105 HydrophobicContact CD2-CZ 3.77Å; L101-F105 HydrophobicContact CG-CE2 4.18Å; L101-F105 WeakPolarHBondContact O-CD2 3.47Å; L101-F105 PolarHBondContact O-N 3.26Å; T102-F105 PolarHBondContact O-N 3.25Å; F105-R107 VanDerWaalsContact C-N 3.33Å; F105-R107 PolarHBondContact O-N 3.06Å; F105-L108 WeakPolarHBondContact O-CB 3.39Å; F105-L108 PolarHBondContact O-N 3.32Å; F105-L108 VanDerWaalsContact O-N 3.15Å; F105-E109 PolarHBondContact O-N 3.48Å
106A75.6Confident71.6Confident51 Ų5178.6 Ų78.642%0.42145%0.447SS..Hα-helixtrans-61.6-40.4176.100000112.3T102 S110T102-A106 WeakPolarHBondContact O-CB 3.35Å; T102-A106 PolarHBondContact O-N 2.68Å; A106-S110 PolarHBondContact O-N 3.08Å; A106-S110 VanDerWaalsContact O-N 3.08Å; A106-S110 PolarHBondContact O-OG 3.44Å
107R79.3Confident73.1Confident171 Ų17180.5 Ų80.565%0.64545%0.45SS*.Hα-helixtrans-64.8-41.8173.5-83.8-174.5-81.5-158.5-5112.1D103 F105 S110 A111D103-R107 WeakPolarHBondContact O-CB 3.3Å; D103-R107 WeakPolarHBondContact O-CG 3.4Å; D103-R107 PolarHBondContact O-N 2.94Å; D103-R107 PolarHBondContact O-NE 2.95Å; F105-R107 VanDerWaalsContact C-N 3.33Å; F105-R107 PolarHBondContact O-N 3.06Å; R107-S110 PolarHBondContact O-N 3.03Å; R107-S110 PolarHBondContact O-OG 2.92Å; R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.01Å
108L78.4Confident74.5Confident91 Ų9175.2 Ų75.248%0.47644%0.44SS..Hα-helixtrans-61.5-47.5176.6-174.169.2000111.4S104 F105 S110 A111 Q112S104-L108 WeakPolarHBondContact O-CB 3.13Å; S104-L108 PolarHBondContact O-N 3.37Å; F105-L108 WeakPolarHBondContact O-CB 3.39Å; F105-L108 PolarHBondContact O-N 3.32Å; F105-L108 VanDerWaalsContact O-N 3.15Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 3.42Å; L108-A111 PolarHBondContact O-N 2.91Å; L108-Q112 WeakPolarHBondContact O-CB 3.34Å; L108-Q112 PolarHBondContact O-N 2.97Å
109E77.9Confident75.3Confident83 Ų8371.9 Ų71.939%0.38842%0.416SS..Hα-helixtrans-57.2-44.3175.5-81.9-169.6138.400111.9F105 Q112 A113 L148F105-E109 PolarHBondContact O-N 3.48Å; E109-Q112 PolarHBondContact O-N 3.46Å; E109-A113 WeakPolarHBondContact O-CB 3.37Å; E109-A113 PolarHBondContact O-N 3.32Å; E109-L148 HydrophobicContact CG-CD1 4.17Å
110S81.6Confident76Confident67 Ų6770.7 Ų70.747%0.46941%0.407SS..Hα-helixtrans-66.6-40.5-179.872.10000113.4A106 R107 L108 Q112 S114A106-S110 PolarHBondContact O-N 3.08Å; A106-S110 VanDerWaalsContact O-N 3.08Å; A106-S110 PolarHBondContact O-OG 3.44Å; R107-S110 PolarHBondContact O-N 3.03Å; R107-S110 PolarHBondContact O-OG 2.92Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 3.42Å; S110-Q112 VanDerWaalsContact C-N 3.35Å; S110-S114 PolarHBondContact O-N 2.97Å; S110-S114 PolarHBondContact O-OG 3.13Å
111A81.1Confident76.8Confident54 Ų5472.5 Ų72.545%0.44641%0.412SS..Hα-helixtrans-67.7-39.5176.200000110.7R107 L108 S114 V115R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.01Å; L108-A111 PolarHBondContact O-N 2.91Å; A111-S114 WeakPolarHBondContact O-CB 3.26Å; A111-S114 PolarHBondContact O-N 3.19Å; A111-V115 WeakPolarHBondContact O-CG2 3.24Å; A111-V115 PolarHBondContact O-N 3.4Å
112Q77.3Confident76.9Confident27 Ų2775.6 Ų75.613%0.12642%0.424CS..Hα-helixtrans-70.5-39.6-179.2-161.9174.9-13.500112.1L108 E109 S110 S114 V115 L116 L144 L148L108-Q112 WeakPolarHBondContact O-CB 3.34Å; L108-Q112 PolarHBondContact O-N 2.97Å; E109-Q112 PolarHBondContact O-N 3.46Å; S110-Q112 VanDerWaalsContact C-N 3.35Å; Q112-S114 VanDerWaalsContact C-N 3.28Å; Q112-S114 PolarHBondContact O-N 2.92Å; Q112-V115 PolarHBondContact O-N 3.5Å; Q112-L116 WeakPolarHBondContact O-CB 3.44Å; Q112-L116 PolarHBondContact O-N 3.44Å; Q112-L144 HydrophobicContact CG-CD2 3.7Å; Q112-L144 PolarHBondContact NE2-O 3.01Å; Q112-L148 HydrophobicContact CG-CD1 4.37Å; Q112-L148 VanDerWaalsContact OE1-CD1 3.24Å
113A80.7Confident76.6Confident61 Ų6178.1 Ų78.150%0.50443%0.433SS..Hα-helixtrans-59.4-40.3171.700000111.7E109 L116 Q117E109-A113 WeakPolarHBondContact O-CB 3.37Å; E109-A113 PolarHBondContact O-N 3.32Å; A113-L116 PolarHBondContact O-N 3.21Å; A113-Q117 WeakPolarHBondContact O-CB 3.38Å; A113-Q117 PolarHBondContact O-N 3.32Å
114S85.4Confident76.3Confident77 Ų7776.8 Ų76.854%0.53844%0.437SS..Hα-helixtrans-66.4-40.2176.7-60.10000112.5S110 A111 Q112 A118S110-S114 PolarHBondContact O-N 2.97Å; S110-S114 PolarHBondContact O-OG 3.13Å; A111-S114 WeakPolarHBondContact O-CB 3.26Å; A111-S114 PolarHBondContact O-N 3.19Å; Q112-S114 VanDerWaalsContact C-N 3.28Å; Q112-S114 PolarHBondContact O-N 2.92Å; S114-A118 WeakPolarHBondContact O-CB 3.31Å; S114-A118 PolarHBondContact O-N 2.85Å
115V83.1Confident76Confident71 Ų7180.1 Ų80.143%0.4345%0.446SS..Hα-helixtrans-67.1-42.5176.7170.20000111.3A111 Q112 Q117 A118 L119A111-V115 WeakPolarHBondContact O-CG2 3.24Å; A111-V115 PolarHBondContact O-N 3.4Å; Q112-V115 PolarHBondContact O-N 3.5Å; V115-Q117 VanDerWaalsContact C-N 3.33Å; V115-Q117 PolarHBondContact O-N 3.49Å; V115-A118 PolarHBondContact O-N 3.37Å; V115-L119 HydrophobicContact CG1-CD1 3.86Å; V115-L119 HydrophobicContact CG1-CG 4.47Å; V115-L119 WeakPolarHBondContact O-CB 3.29Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 2.87Å
116L77.1Confident75.1Confident68 Ų6884.1 Ų84.136%0.35648%0.477SS..Hα-helixtrans-65.3-40.7179.3-147.2155000110.5Q112 A113 L119 T120Q112-L116 WeakPolarHBondContact O-CB 3.44Å; Q112-L116 PolarHBondContact O-N 3.44Å; A113-L116 PolarHBondContact O-N 3.21Å; L116-L119 PolarHBondContact O-N 2.81Å; L116-T120 HydrophobicContact CD2-CG2 4.11Å; L116-T120 WeakPolarHBondContact O-CG2 3.34Å; L116-T120 PolarHBondContact O-N 3.21Å; L116-T120 PolarHBondContact O-OG1 2.92Å; L116-T120 VanDerWaalsContact O-OG1 3.11Å
117Q83.4Confident74.2Confident117 Ų11791.5 Ų91.555%0.54749%0.494SS..Hα-helixtrans-62.3-46.4174-172.3169.7-18.500111.9A113 V115 L119 T120 E121A113-Q117 WeakPolarHBondContact O-CB 3.38Å; A113-Q117 PolarHBondContact O-N 3.32Å; V115-Q117 VanDerWaalsContact C-N 3.33Å; V115-Q117 PolarHBondContact O-N 3.49Å; Q117-L119 VanDerWaalsContact C-N 3.33Å; Q117-L119 PolarHBondContact O-N 2.9Å; Q117-T120 WeakPolarHBondContact CA-OG1 3.46Å; Q117-T120 PolarHBondContact O-N 3.22Å; Q117-T120 PolarHBondContact O-OG1 3.45Å; Q117-E121 PolarHBondContact NE2-OE1 2.84Å; Q117-E121 WeakPolarHBondContact O-CG 3.26Å; Q117-E121 PolarHBondContact O-N 3.45Å
118A80.5Confident73.1Confident48 Ų4892.4 Ų92.440%0.39751%0.51SS..Hα-helixtrans-62.5-37.7176.700000112.8S114 V115 H122S114-A118 WeakPolarHBondContact O-CB 3.31Å; S114-A118 PolarHBondContact O-N 2.85Å; V115-A118 PolarHBondContact O-N 3.37Å; A118-H122 WeakPolarHBondContact O-CB 3.09Å; A118-H122 PolarHBondContact O-N 2.7Å
119L72.9Confident72.3Confident26 Ų2691 Ų9114%0.13651%0.505CS..Hα-helixtrans-65.9-44.5174.4-79.7165.1000111.6V115 L116 Q117 E121 H122 Q123 L137 L140 L144V115-L119 HydrophobicContact CG1-CD1 3.86Å; V115-L119 HydrophobicContact CG1-CG 4.47Å; V115-L119 WeakPolarHBondContact O-CB 3.29Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 2.87Å; L116-L119 PolarHBondContact O-N 2.81Å; Q117-L119 VanDerWaalsContact C-N 3.33Å; Q117-L119 PolarHBondContact O-N 2.9Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 2.69Å; L119-H122 PolarHBondContact O-N 2.99Å; L119-Q123 WeakPolarHBondContact O-CB 3.3Å; L119-Q123 PolarHBondContact O-N 2.98Å; L119-L137 HydrophobicContact CD2-CD1 3.47Å; L119-L137 VanDerWaalsContact CD2-CD1 3.47Å; L119-L137 HydrophobicContact CD2-CD2 4.07Å; L119-L137 HydrophobicContact CD2-CG 3.69Å; L119-L140 HydrophobicContact CD1-CD2 4.37Å; L119-L144 HydrophobicContact CD1-CD1 4.21Å
120T74.1Confident71.8Confident71 Ų7189.3 Ų89.344%0.43651%0.51SS..Hα-helixtrans-64.5-37177.250.50000112.7L116 Q117 Q123 A124L116-T120 HydrophobicContact CD2-CG2 4.11Å; L116-T120 WeakPolarHBondContact O-CG2 3.34Å; L116-T120 PolarHBondContact O-N 3.21Å; L116-T120 PolarHBondContact O-OG1 2.92Å; L116-T120 VanDerWaalsContact O-OG1 3.11Å; Q117-T120 WeakPolarHBondContact CA-OG1 3.46Å; Q117-T120 PolarHBondContact O-N 3.22Å; Q117-T120 PolarHBondContact O-OG1 3.45Å; T120-Q123 PolarHBondContact O-N 3.49Å; T120-A124 PolarHBondContact O-N 2.97Å
121E77.9Confident71.3Confident118 Ų11893 Ų9355%0.55153%0.525SS*.Hα-helixtrans-67-39.6173.6-74.5175.8-171.300111.3Q117 L119 A124Q117-E121 PolarHBondContact NE2-OE1 2.84Å; Q117-E121 WeakPolarHBondContact O-CG 3.26Å; Q117-E121 PolarHBondContact O-N 3.45Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 2.69Å; E121-A124 PolarHBondContact O-N 3.29Å
122H66.4Low71.1Confident143 Ų14398.5 Ų98.566%0.66254%0.541SS*.Hα-helixtrans-68.3-36.1176.2-105.8-53000113.5A118 L119 A124 Q125A118-H122 WeakPolarHBondContact O-CB 3.09Å; A118-H122 PolarHBondContact O-N 2.7Å; L119-H122 PolarHBondContact O-N 2.99Å; H122-A124 VanDerWaalsContact C-N 3.29Å; H122-A124 PolarHBondContact O-N 3.44Å; H122-Q125 PolarHBondContact O-N 3.4Å
123Q63.8Low71.1Confident95 Ų95104 Ų10444%0.44457%0.566SS.*Hα-helixtrans-71.8-24.3178.9-153.6175.711.900112.2L119 T120 Q125 D138L119-Q123 WeakPolarHBondContact O-CB 3.3Å; L119-Q123 PolarHBondContact O-N 2.98Å; T120-Q123 PolarHBondContact O-N 3.49Å; Q123-Q125 VanDerWaalsContact C-N 3.3Å; Q123-D138 PolarHBondContact NE2-OD1 3.43Å
124A64.7Low71Confident76 Ų76104.6 Ų104.663%0.62856%0.559SS**THydrogen-bonded Turntrans-76.4-14.3173.200000113.6T120 E121 H122 P126T120-A124 PolarHBondContact O-N 2.97Å; E121-A124 PolarHBondContact O-N 3.29Å; H122-A124 VanDerWaalsContact C-N 3.29Å; H122-A124 PolarHBondContact O-N 3.44Å; A124-P126 WeakPolarHBondContact O-CD 3.48Å
125Q62.5Low70.8Confident125 Ų125107.6 Ų107.658%0.58456%0.564SS**SBendtrans-89.5113.8177-132.586.4-18.400109.6H122 Q123 R127H122-Q125 PolarHBondContact O-N 3.4Å; Q123-Q125 VanDerWaalsContact C-N 3.3Å; Q125-R127 PolarHBondContact O-N 2.63Å
126P52.5Low70.7Confident127 Ų127110 Ų11083%0.82558%0.575SS**  trans-75106.1-179.929.4-30.6000109.1A124A124-P126 WeakPolarHBondContact O-CD 3.48Å
127R57.2Low70.9Confident206 Ų206109.6 Ų109.678%0.77757%0.572SS**  trans-130.6145.1167.7-74.3-165176.4167.41.5111Q125 V129Q125-R127 PolarHBondContact O-N 2.63Å; R127-V129 HydrophobicContact CB-CG2 4.41Å; R127-V129 PolarHBondContact O-N 3.23Å
128L57.3Low70.7Confident190 Ų190107.9 Ų107.9100%0.99557%0.567SS**  trans-64.570.5173.4-75.9146.6000110.4
129V60.6Low70.9Confident61 Ų61109.3 Ų109.337%0.3757%0.571SS.*  trans-83.4141.5170.9178.30000107.4R127 E133R127-V129 HydrophobicContact CB-CG2 4.41Å; R127-V129 PolarHBondContact O-N 3.23Å; V129-E133 HydrophobicContact CG1-CB 3.38Å; V129-E133 HydrophobicContact CG1-CG 4.42Å
130G68.8Low71.4Confident47 Ų47112 Ų11249%0.48558%0.584SS.*  trans-64.6144178.100000111Q132 E133 Q134G130-Q132 PolarHBondContact O-N 3.31Å; G130-E133 PolarHBondContact O-N 3.43Å; G130-Q134 PolarHBondContact O-N 2.89Å
131D70.6Confident71.7Confident146 Ų146110.4 Ų110.478%0.78158%0.579SS**Hα-helixtrans-46.9-33.2-175.2-64.8-23.6000113.5E135D131-E135 PolarHBondContact O-N 2.82Å; D131-E135 VanDerWaalsContact O-N 3.16Å
132Q76.7Confident72Confident168 Ų168108.2 Ų108.279%0.78557%0.571SS**Hα-helixtrans-72.2-32.3-178.6-165163.916.800114.9G130 L136G130-Q132 PolarHBondContact O-N 3.31Å; Q132-L136 PolarHBondContact O-N 2.88Å
133E77.3Confident73Confident142 Ų142106.1 Ų106.166%0.66456%0.562SS**Hα-helixtrans-77.8-33.7175.1-96.7-177.4131.600111.2V129 G130 L136 L137V129-E133 HydrophobicContact CG1-CB 3.38Å; V129-E133 HydrophobicContact CG1-CG 4.42Å; G130-E133 PolarHBondContact O-N 3.43Å; E133-L136 PolarHBondContact O-N 2.9Å; E133-L137 PolarHBondContact O-N 3.2Å
134Q78Confident73.9Confident75 Ų75102.9 Ų102.935%0.3555%0.547SS..Hα-helixtrans-65.4-43.5177.4-159.180.511.900111.3G130 L136 L137 D138G130-Q134 PolarHBondContact O-N 2.89Å; Q134-L136 VanDerWaalsContact C-N 3.31Å; Q134-L136 PolarHBondContact O-N 3.49Å; Q134-L137 PolarHBondContact O-N 3.16Å; Q134-D138 PolarHBondContact O-N 3Å
135E81.3Confident74.8Confident139 Ų139102.1 Ų102.165%0.6554%0.535SS*.Hα-helixtrans-65.4-33.9177.7-170167.7-175.500112.4D131 T139D131-E135 PolarHBondContact O-N 2.82Å; D131-E135 VanDerWaalsContact O-N 3.16Å; E135-T139 WeakPolarHBondContact O-CB 3.39Å; E135-T139 WeakPolarHBondContact O-CG2 3.5Å; E135-T139 PolarHBondContact O-N 3.24Å; E135-T139 PolarHBondContact O-OG1 2.95Å
136L81.4Confident75.9Confident123 Ų123103.3 Ų103.364%0.64454%0.535SS*.Hα-helixtrans-72.3-33.5176.2-149.7128.9000112.1Q132 E133 Q134 T139 L140Q132-L136 PolarHBondContact O-N 2.88Å; E133-L136 PolarHBondContact O-N 2.9Å; Q134-L136 VanDerWaalsContact C-N 3.31Å; Q134-L136 PolarHBondContact O-N 3.49Å; L136-T139 VanDerWaalsContact CA-OG1 3.31Å; L136-T139 WeakPolarHBondContact CA-OG1 3.42Å; L136-T139 PolarHBondContact O-OG1 3.42Å; L136-L140 WeakPolarHBondContact O-CB 3.48Å; L136-L140 PolarHBondContact O-N 3.45Å; L136-L140 VanDerWaalsContact O-N 3.11Å
137L80.1Confident77.3Confident59 Ų59102.7 Ų102.731%0.30952%0.524SS..Hα-helixtrans-71.7-42.5175.9-144.374.3000111.7L119 E133 Q134 L140 A141L119-L137 HydrophobicContact CD2-CD1 3.47Å; L119-L137 VanDerWaalsContact CD2-CD1 3.47Å; L119-L137 HydrophobicContact CD2-CD2 4.07Å; L119-L137 HydrophobicContact CD2-CG 3.69Å; E133-L137 PolarHBondContact O-N 3.2Å; Q134-L137 PolarHBondContact O-N 3.16Å; L137-L140 PolarHBondContact O-N 3.44Å; L137-A141 WeakPolarHBondContact O-CB 3.45Å; L137-A141 PolarHBondContact O-N 3Å
138D80.4Confident78.4Confident81 Ų8195.6 Ų95.643%0.43350%0.501SS..Hα-helixtrans-66.5-40.4177.3-85.7-3.3000111.8Q123 Q134 A141 D142Q123-D138 PolarHBondContact NE2-OD1 3.43Å; Q134-D138 PolarHBondContact O-N 3Å; D138-A141 PolarHBondContact O-N 3.25Å; D138-D142 PolarHBondContact O-N 3.35Å
139T85Confident79.7Confident78 Ų7889.1 Ų89.148%0.47948%0.475SS..Hα-helixtrans-64.8-39.5173.843.90000112E135 L136 D142 Q143E135-T139 WeakPolarHBondContact O-CB 3.39Å; E135-T139 WeakPolarHBondContact O-CG2 3.5Å; E135-T139 PolarHBondContact O-N 3.24Å; E135-T139 PolarHBondContact O-OG1 2.95Å; L136-T139 VanDerWaalsContact CA-OG1 3.31Å; L136-T139 WeakPolarHBondContact CA-OG1 3.42Å; L136-T139 PolarHBondContact O-OG1 3.42Å; T139-D142 PolarHBondContact O-N 2.95Å; T139-Q143 WeakPolarHBondContact O-CB 3.34Å; T139-Q143 VanDerWaalsContact O-CG 3.25Å; T139-Q143 WeakPolarHBondContact O-CG 3.27Å; T139-Q143 PolarHBondContact O-N 2.99Å
140L82.7Confident81Confident81 Ų8195.1 Ų95.142%0.42449%0.491SS..Hα-helixtrans-65.1-40.6175.1-173.264000111.8L119 L136 L137 D142 Q143 L144L119-L140 HydrophobicContact CD1-CD2 4.37Å; L136-L140 WeakPolarHBondContact O-CB 3.48Å; L136-L140 PolarHBondContact O-N 3.45Å; L136-L140 VanDerWaalsContact O-N 3.11Å; L137-L140 PolarHBondContact O-N 3.44Å; L140-D142 VanDerWaalsContact C-N 3.32Å; L140-D142 PolarHBondContact O-N 2.88Å; L140-Q143 PolarHBondContact O-N 3.44Å; L140-L144 HydrophobicContact CD1-CD1 4.08Å; L140-L144 HydrophobicContact CD1-CG 4.3Å; L140-L144 HydrophobicContact CD2-CD1 4.49Å; L140-L144 HydrophobicContact CG-CD1 3.81Å; L140-L144 HydrophobicContact CG-CG 4.48Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 WeakPolarHBondContact O-CD1 3.39Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.3Å; L140-L144 VanDerWaalsContact O-N 3.08Å
141A81.4Confident81.5Confident38 Ų3894.2 Ų94.231%0.31448%0.479SS..Hα-helixtrans-65.1-31.3176.400000113.1L137 D138 P145L137-A141 WeakPolarHBondContact O-CB 3.45Å; L137-A141 PolarHBondContact O-N 3Å; D138-A141 PolarHBondContact O-N 3.25Å; A141-P145 WeakPolarHBondContact O-CD 3Å; A141-P145 WeakPolarHBondContact O-CG 3Å
142D84.1Confident82Confident72 Ų7289.4 Ų89.439%0.38546%0.457SS..Hα-helixtrans-79.5-35.7175.1178.775.6000113.5D138 T139 L140 R146D138-D142 PolarHBondContact O-N 3.35Å; T139-D142 PolarHBondContact O-N 2.95Å; L140-D142 VanDerWaalsContact C-N 3.32Å; L140-D142 PolarHBondContact O-N 2.88Å; D142-R146 VanDerWaalsContact CG-NH2 3.33Å; D142-R146 WeakPolarHBondContact O-CG 3.27Å; D142-R146 PolarHBondContact O-NE 3.45Å; D142-R146 IonicContact OD1-CZ 3.59Å; D142-R146 IonicContact OD1-NE 3.51Å; D142-R146 IonicContact OD1-NH2 2.79Å; D142-R146 PolarHBondContact OD1-NH2 2.76Å; D142-R146 IonicContact OD2-CZ 3.37Å; D142-R146 IonicContact OD2-NE 3.02Å; D142-R146 PolarHBondContact OD2-NE 2.98Å; D142-R146 IonicContact OD2-NH2 3.04Å; D142-R146 PolarHBondContact OD2-NH2 2.93Å
143Q87.6Confident82.5Confident100 Ų10086.7 Ų86.747%0.46744%0.444SS..Hα-helixtrans-79.4-34.6-176.8-67.7-63.7-61.300113.2T139 L140 R146 L147T139-Q143 WeakPolarHBondContact O-CB 3.34Å; T139-Q143 VanDerWaalsContact O-CG 3.25Å; T139-Q143 WeakPolarHBondContact O-CG 3.27Å; T139-Q143 PolarHBondContact O-N 2.99Å; L140-Q143 PolarHBondContact O-N 3.44Å; Q143-R146 PolarHBondContact O-N 2.63Å; Q143-L147 PolarHBondContact O-N 3.05Å; Q143-L147 VanDerWaalsContact O-N 3.11Å
144L81.9Confident82.7Confident26 Ų2684.2 Ų84.214%0.13644%0.435CS..Hα-helixtrans-57.6-48.3-178.6-92.1162.7000113.9Q112 L119 L140 R146 L147 L148Q112-L144 HydrophobicContact CG-CD2 3.7Å; Q112-L144 PolarHBondContact NE2-O 3.01Å; L119-L144 HydrophobicContact CD1-CD1 4.21Å; L140-L144 HydrophobicContact CD1-CD1 4.08Å; L140-L144 HydrophobicContact CD1-CG 4.3Å; L140-L144 HydrophobicContact CD2-CD1 4.49Å; L140-L144 HydrophobicContact CG-CD1 3.81Å; L140-L144 HydrophobicContact CG-CG 4.48Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 WeakPolarHBondContact O-CD1 3.39Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.3Å; L140-L144 VanDerWaalsContact O-N 3.08Å; L144-R146 VanDerWaalsContact C-N 3.31Å; L144-R146 PolarHBondContact O-N 2.74Å; L144-L147 PolarHBondContact O-N 2.89Å; L144-L148 PolarHBondContact O-N 3.29Å
145P82.9Confident82.8Confident60 Ų6082.5 Ų82.539%0.3943%0.427SS..Hα-helixtrans-63.8-34.5178.5-22.132.4000113.1A141 L148 A149A141-P145 WeakPolarHBondContact O-CD 3Å; A141-P145 WeakPolarHBondContact O-CG 3Å; P145-L148 PolarHBondContact O-N 2.95Å; P145-A149 WeakPolarHBondContact O-CB 3.44Å; P145-A149 PolarHBondContact O-N 2.98Å
146R86.4Confident83Confident150 Ų15079.9 Ų79.957%0.56642%0.421SS*.Hα-helixtrans-68.5-42.1179.1-61.6175.8-164.7-112.42.1111.4D142 Q143 L144 R150D142-R146 VanDerWaalsContact CG-NH2 3.33Å; D142-R146 WeakPolarHBondContact O-CG 3.27Å; D142-R146 PolarHBondContact O-NE 3.45Å; D142-R146 IonicContact OD1-CZ 3.59Å; D142-R146 IonicContact OD1-NE 3.51Å; D142-R146 IonicContact OD1-NH2 2.79Å; D142-R146 PolarHBondContact OD1-NH2 2.76Å; D142-R146 IonicContact OD2-CZ 3.37Å; D142-R146 IonicContact OD2-NE 3.02Å; D142-R146 PolarHBondContact OD2-NE 2.98Å; D142-R146 IonicContact OD2-NH2 3.04Å; D142-R146 PolarHBondContact OD2-NH2 2.93Å; Q143-R146 PolarHBondContact O-N 2.63Å; L144-R146 VanDerWaalsContact C-N 3.31Å; L144-R146 PolarHBondContact O-N 2.74Å; R146-R150 PolarHBondContact O-N 2.96Å
147L81.2Confident83.2Confident114 Ų11479.2 Ų79.260%0.59741%0.414SS*.Hα-helixtrans-66.5-37.9174.5-71.5173.7000111.8Q143 L144 R150 A151Q143-L147 PolarHBondContact O-N 3.05Å; Q143-L147 VanDerWaalsContact O-N 3.11Å; L144-L147 PolarHBondContact O-N 2.89Å; L147-R150 PolarHBondContact O-N 2.82Å; L147-A151 WeakPolarHBondContact O-CB 3.31Å; L147-A151 PolarHBondContact O-N 2.73Å
148L80.8Confident83.1Confident57 Ų5779.8 Ų79.830%0.29842%0.422SS..Hα-helixtrans-62.9-47.9175.3-170.292.4000111.7E109 Q112 L144 P145 R150 A151 S152E109-L148 HydrophobicContact CG-CD1 4.17Å; Q112-L148 HydrophobicContact CG-CD1 4.37Å; Q112-L148 VanDerWaalsContact OE1-CD1 3.24Å; L144-L148 PolarHBondContact O-N 3.29Å; P145-L148 PolarHBondContact O-N 2.95Å; L148-R150 PolarHBondContact O-N 2.86Å; L148-A151 PolarHBondContact O-N 3.47Å; L148-A151 VanDerWaalsContact O-N 3.15Å; L148-S152 PolarHBondContact O-N 3.44Å; L148-S152 PolarHBondContact O-OG 2.95Å
149A85.6Confident83.1Confident55 Ų5580.4 Ų80.446%0.45542%0.424SS..Hα-helixtrans-58.3-38.2177.800000111.6P145 S152 E153P145-A149 WeakPolarHBondContact O-CB 3.44Å; P145-A149 PolarHBondContact O-N 2.98Å; A149-S152 PolarHBondContact O-OG 3.02Å; A149-E153 WeakPolarHBondContact O-CB 3.19Å; A149-E153 PolarHBondContact O-N 2.95Å
150R86.5Confident83.1Confident186 Ų18678.8 Ų78.870%0.70242%0.422SS*.Hα-helixtrans-73.3-34.5178-153.4160.9-166.4163.62.8112.9R146 L147 L148 L154R146-R150 PolarHBondContact O-N 2.96Å; L147-R150 PolarHBondContact O-N 2.82Å; L148-R150 PolarHBondContact O-N 2.86Å; R150-L154 WeakPolarHBondContact O-CB 3.41Å; R150-L154 PolarHBondContact O-N 2.72Å; R150-L154 VanDerWaalsContact O-N 3.11Å
151A79.3Confident83Confident28 Ų2881.4 Ų81.423%0.23144%0.436CS..Hα-helixtrans-68.7-41.5174.600000112L147 L148 L154 Q155L147-A151 WeakPolarHBondContact O-CB 3.31Å; L147-A151 PolarHBondContact O-N 2.73Å; L148-A151 PolarHBondContact O-N 3.47Å; L148-A151 VanDerWaalsContact O-N 3.15Å; A151-L154 PolarHBondContact O-N 3.31Å; A151-Q155 WeakPolarHBondContact O-CB 3.19Å; A151-Q155 PolarHBondContact O-N 3.03Å
152S80.9Confident82.8Confident45 Ų4586.5 Ų86.532%0.31545%0.447SS..Hα-helixtrans-69.3-38.4177.565.10000112L148 A149 Q155 T156L148-S152 PolarHBondContact O-N 3.44Å; L148-S152 PolarHBondContact O-OG 2.95Å; A149-S152 PolarHBondContact O-OG 3.02Å; S152-Q155 WeakPolarHBondContact O-CB 3.25Å; S152-Q155 PolarHBondContact O-N 3.27Å; S152-T156 WeakPolarHBondContact O-CG2 3.07Å; S152-T156 PolarHBondContact O-N 2.89Å
153E87.5Confident82.8Confident112 Ų11290.7 Ų90.752%0.52346%0.462SS..Hα-helixtrans-56.8-52170.5-176.1173.6-158.800110.9A149 Q155 T156 E157A149-E153 WeakPolarHBondContact O-CB 3.19Å; A149-E153 PolarHBondContact O-N 2.95Å; E153-Q155 VanDerWaalsContact C-N 3.26Å; E153-Q155 PolarHBondContact O-N 3.34Å; E153-T156 PolarHBondContact O-N 3.25Å; E153-T156 VanDerWaalsContact O-N 3.08Å; E153-T156 PolarHBondContact O-OG1 2.87Å; E153-E157 PolarHBondContact O-N 3.42Å
154L80.7Confident82.4Confident90 Ų9087.6 Ų87.647%0.47146%0.457SS..Hα-helixtrans-59.8-35.9178.1-145.489.7000112.5R150 A151 E157 C158R150-L154 WeakPolarHBondContact O-CB 3.41Å; R150-L154 PolarHBondContact O-N 2.72Å; R150-L154 VanDerWaalsContact O-N 3.11Å; A151-L154 PolarHBondContact O-N 3.31Å; L154-E157 PolarHBondContact O-N 2.98Å; L154-C158 WeakPolarHBondContact O-CB 3.38Å; L154-C158 PolarHBondContact O-N 3.35Å; L154-C158 PolarHBondContact O-SG 3.01Å
155Q81.6Confident82.2Confident39 Ų3991.3 Ų91.318%0.18247%0.473CS..Hα-helixtrans-65.4-42176.2-179.3178.2-20.100111.5A151 S152 E153 C158 M159A151-Q155 WeakPolarHBondContact O-CB 3.19Å; A151-Q155 PolarHBondContact O-N 3.03Å; S152-Q155 WeakPolarHBondContact O-CB 3.25Å; S152-Q155 PolarHBondContact O-N 3.27Å; E153-Q155 VanDerWaalsContact C-N 3.26Å; E153-Q155 PolarHBondContact O-N 3.34Å; Q155-C158 PolarHBondContact O-N 2.96Å; Q155-M159 HydrophobicContact CG-CE 4.39Å; Q155-M159 WeakPolarHBondContact O-CG 3.4Å; Q155-M159 PolarHBondContact O-N 3.39Å
156T85Confident81.8Confident84 Ų8490.3 Ų90.352%0.51547%0.474SS..Hα-helixtrans-64.2-41.117663.50000112.1S152 E153 M159 G160S152-T156 WeakPolarHBondContact O-CG2 3.07Å; S152-T156 PolarHBondContact O-N 2.89Å; E153-T156 PolarHBondContact O-N 3.25Å; E153-T156 VanDerWaalsContact O-N 3.08Å; E153-T156 PolarHBondContact O-OG1 2.87Å; T156-M159 HydrophobicContact CG2-CE 4.34Å; T156-M159 PolarHBondContact O-N 2.9Å; T156-G160 PolarHBondContact O-N 3.27Å
157E85.1Confident81.5Confident109 Ų10987 Ų8751%0.50947%0.47SS..Hα-helixtrans-61.9-45.5174.4-69.7-172162.400111.8E153 L154 M159 G160 L161E153-E157 PolarHBondContact O-N 3.42Å; L154-E157 PolarHBondContact O-N 2.98Å; E157-M159 PolarHBondContact O-N 2.85Å; E157-G160 PolarHBondContact O-N 3.29Å; E157-L161 PolarHBondContact O-N 3.23Å
158C78.8Confident81.3Confident70 Ų7086.5 Ų86.547%0.47347%0.468SS..Hα-helixtrans-62-42.3177.7-70.40000112.3L154 Q155 G160 L161 R162L154-C158 WeakPolarHBondContact O-CB 3.38Å; L154-C158 PolarHBondContact O-N 3.35Å; L154-C158 PolarHBondContact O-SG 3.01Å; Q155-C158 PolarHBondContact O-N 2.96Å; C158-G160 VanDerWaalsContact C-N 3.34Å; C158-L161 PolarHBondContact O-N 2.68Å; C158-R162 WeakPolarHBondContact O-CB 3.42Å; C158-R162 PolarHBondContact O-N 3.04Å
159M80.9Confident81.1Confident95 Ų9585.5 Ų85.547%0.46847%0.472SS..Hα-helixtrans-64.1-40.2174.7-72.7-168.8-61.800111.7Q155 T156 E157 R162 K163Q155-M159 HydrophobicContact CG-CE 4.39Å; Q155-M159 WeakPolarHBondContact O-CG 3.4Å; Q155-M159 PolarHBondContact O-N 3.39Å; T156-M159 HydrophobicContact CG2-CE 4.34Å; T156-M159 PolarHBondContact O-N 2.9Å; E157-M159 PolarHBondContact O-N 2.85Å; M159-R162 PolarHBondContact O-N 3.3Å; M159-K163 WeakPolarHBondContact O-CB 3.22Å; M159-K163 PolarHBondContact O-N 2.02Å
160G84.8Confident80.8Confident43 Ų4389.4 Ų89.444%0.44348%0.48SS..Hα-helixtrans-60.8-48.9174.700000112.2T156 E157 C158 R162 K163 G164T156-G160 PolarHBondContact O-N 3.27Å; E157-G160 PolarHBondContact O-N 3.29Å; C158-G160 VanDerWaalsContact C-N 3.34Å; G160-R162 PolarHBondContact O-N 2.93Å; G160-K163 PolarHBondContact O-N 2.95Å; G160-G164 PolarHBondContact O-N 3.32Å
161L79.3Confident80.6Confident136 Ų13682.1 Ų82.171%0.71246%0.463SS*.Hα-helixtrans-60.2-44.4175.6-103.874.2000111.8E157 C158 K163 G164 H165E157-L161 PolarHBondContact O-N 3.23Å; C158-L161 PolarHBondContact O-N 2.68Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.45Å; L161-G164 PolarHBondContact O-N 3.43Å; L161-H165 WeakPolarHBondContact O-CB 3.46Å; L161-H165 PolarHBondContact O-N 2.9Å
162R78.8Confident80.5Confident145 Ų14583.9 Ų83.955%0.54747%0.468SS..Hα-helixtrans-60.1-43.5177.1176.8177.4-82.6171.3-5.5111.6D100 C158 M159 G160 H165 G166D100-R162 IonicContact OD1-CZ 3.19Å; D100-R162 IonicContact OD1-NH1 2.79Å; D100-R162 PolarHBondContact OD1-NH1 2.64Å; D100-R162 IonicContact OD1-NH2 2.66Å; D100-R162 PolarHBondContact OD1-NH2 2.95Å; C158-R162 WeakPolarHBondContact O-CB 3.42Å; C158-R162 PolarHBondContact O-N 3.04Å; M159-R162 PolarHBondContact O-N 3.3Å; G160-R162 PolarHBondContact O-N 2.93Å; R162-H165 PolarHBondContact O-N 2.58Å; R162-G166 PolarHBondContact O-N 3.44Å
163K82.8Confident80.1Confident161 Ų16185 Ų8570%0.748%0.476SS*.Hα-helixtrans-63-44.7175.6-174.4177.5179.5-179.60111.2M159 G160 L161 H165 G166 T167M159-K163 WeakPolarHBondContact O-CB 3.22Å; M159-K163 PolarHBondContact O-N 2.02Å; G160-K163 PolarHBondContact O-N 2.95Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.45Å; K163-H165 VanDerWaalsContact C-N 3.32Å; K163-H165 PolarHBondContact O-N 3.28Å; K163-G166 PolarHBondContact O-N 3.43Å; K163-T167 PolarHBondContact O-N 2.9Å
164G80.7Confident79.8Confident35 Ų3582 Ų8236%0.36147%0.471SS..Hα-helixtrans-57.8-44.6174.200000112.1G160 L161 G166 T167 L168G160-G164 PolarHBondContact O-N 3.32Å; L161-G164 PolarHBondContact O-N 3.43Å; G164-G166 VanDerWaalsContact C-N 3.35Å; G164-G166 PolarHBondContact O-N 2.91Å; G164-T167 WeakPolarHBondContact CA-OG1 3.38Å; G164-T167 PolarHBondContact O-N 2.9Å; G164-T167 PolarHBondContact O-OG1 3.44Å; G164-L168 WeakPolarHBondContact O-CB 3.25Å; G164-L168 PolarHBondContact O-N 3.47Å
165H76.2Confident79.8Confident103 Ų10383.4 Ų83.448%0.47748%0.478SS..Hα-helixtrans-62.3-40.9176.3-162.278000112.1L161 R162 K163 L168 G169L161-H165 WeakPolarHBondContact O-CB 3.46Å; L161-H165 PolarHBondContact O-N 2.9Å; R162-H165 PolarHBondContact O-N 2.58Å; K163-H165 VanDerWaalsContact C-N 3.32Å; K163-H165 PolarHBondContact O-N 3.28Å; H165-L168 PolarHBondContact O-N 3.32Å; H165-G169 PolarHBondContact O-N 2.92Å
166G74.8Confident79.7Confident39 Ų3985.5 Ų85.540%0.40249%0.488SS..Hα-helixtrans-60.4-44.4172.700000113.1R162 K163 G164 L168 G169 Q170R162-G166 PolarHBondContact O-N 3.44Å; K163-G166 PolarHBondContact O-N 3.43Å; G164-G166 VanDerWaalsContact C-N 3.35Å; G164-G166 PolarHBondContact O-N 2.91Å; G166-L168 VanDerWaalsContact C-N 3.34Å; G166-L168 PolarHBondContact O-N 3.33Å; G166-G169 PolarHBondContact O-N 3.37Å; G166-Q170 WeakPolarHBondContact O-CG 3.43Å; G166-Q170 PolarHBondContact O-N 3.33Å
167T80.2Confident79.4Confident80 Ų8085 Ų8549%0.49149%0.488SS..Hα-helixtrans-65.4-37.5176.356.90000112.6K163 G164 Q170 G171K163-T167 PolarHBondContact O-N 2.9Å; G164-T167 WeakPolarHBondContact CA-OG1 3.38Å; G164-T167 PolarHBondContact O-N 2.9Å; G164-T167 PolarHBondContact O-OG1 3.44Å; T167-Q170 PolarHBondContact O-N 3.17Å; T167-G171 PolarHBondContact O-N 2.92Å
168L76.8Confident79.7Confident104 Ų10484.6 Ų84.655%0.54549%0.486SS..Hα-helixtrans-67.8-42.2177-163.5108.8000110.9G164 H165 G166 Q170 G171 L172G164-L168 WeakPolarHBondContact O-CB 3.25Å; G164-L168 PolarHBondContact O-N 3.47Å; H165-L168 PolarHBondContact O-N 3.32Å; G166-L168 VanDerWaalsContact C-N 3.34Å; G166-L168 PolarHBondContact O-N 3.33Å; L168-Q170 PolarHBondContact O-N 2.83Å; L168-G171 PolarHBondContact O-N 3.01Å; L168-L172 HydrophobicContact CD2-CD1 4.05Å; L168-L172 WeakPolarHBondContact O-CG 3.46Å; L168-L172 PolarHBondContact O-N 3.47Å
169G77.2Confident79.7Confident37 Ų3783.2 Ų83.238%0.38147%0.473SS..Hα-helixtrans-60.3-43.1174.400000112.6H165 G166 L172 S173H165-G169 PolarHBondContact O-N 2.92Å; G166-G169 PolarHBondContact O-N 3.37Å; G169-L172 PolarHBondContact O-N 2.98Å; G169-S173 PolarHBondContact O-N 2.61Å
170Q78.9Confident79.6Confident136 Ų13680.6 Ų80.664%0.63647%0.47SS*.Hα-helixtrans-61-46.2173.1-75.1176.2-17.500111.8G166 T167 L168 L172 S173 A174G166-Q170 WeakPolarHBondContact O-CG 3.43Å; G166-Q170 PolarHBondContact O-N 3.33Å; T167-Q170 PolarHBondContact O-N 3.17Å; L168-Q170 PolarHBondContact O-N 2.83Å; Q170-L172 PolarHBondContact O-N 2.87Å; Q170-S173 PolarHBondContact O-N 3.19Å; Q170-S173 PolarHBondContact O-OG 2.91Å; Q170-A174 PolarHBondContact O-N 3.4Å
171G82Confident79.9Confident33 Ų3386.1 Ų86.134%0.3448%0.477SS..Hα-helixtrans-59.8-43.2176.700000113.1T167 L168 A174 L175T167-G171 PolarHBondContact O-N 2.92Å; L168-G171 PolarHBondContact O-N 3.01Å; G171-A174 PolarHBondContact O-N 3.41Å; G171-L175 PolarHBondContact O-N 3.46Å
172L78.2Confident80.4Confident65 Ų6584.4 Ų84.434%0.3447%0.469SS..Hα-helixtrans-62.8-42.7175.6-74.7171.6000111.9L168 G169 Q170 A174 L175 Q176L168-L172 HydrophobicContact CD2-CD1 4.05Å; L168-L172 WeakPolarHBondContact O-CG 3.46Å; L168-L172 PolarHBondContact O-N 3.47Å; G169-L172 PolarHBondContact O-N 2.98Å; Q170-L172 PolarHBondContact O-N 2.87Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-A174 PolarHBondContact O-N 3.22Å; L172-L175 PolarHBondContact O-N 3.38Å; L172-Q176 WeakPolarHBondContact O-CB 3.42Å; L172-Q176 PolarHBondContact O-N 3.31Å
173S71.1Confident80.3Confident68 Ų6881.7 Ų81.748%0.47646%0.464SS..Hα-helixtrans-63.5-37.6176.571.70000112.6G169 Q170 Q176 S177G169-S173 PolarHBondContact O-N 2.61Å; Q170-S173 PolarHBondContact O-N 3.19Å; Q170-S173 PolarHBondContact O-OG 2.91Å; S173-Q176 PolarHBondContact O-N 3.33Å; S173-S177 PolarHBondContact O-N 3.35Å
174A82.1Confident80.6Confident51 Ų5180.1 Ų80.142%0.42146%0.459SS..Hα-helixtrans-66.2-46.6175.600000111.3Q170 G171 L172 Q176 S177 E178Q170-A174 PolarHBondContact O-N 3.4Å; G171-A174 PolarHBondContact O-N 3.41Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-A174 PolarHBondContact O-N 3.22Å; A174-Q176 VanDerWaalsContact C-N 3.32Å; A174-Q176 PolarHBondContact O-N 2.96Å; A174-S177 PolarHBondContact O-N 3.41Å; A174-S177 VanDerWaalsContact O-N 3.16Å; A174-S177 PolarHBondContact O-OG 2.91Å; A174-E178 PolarHBondContact O-N 3.36Å
175L81.1Confident81.1Confident118 Ų11882.6 Ų82.662%0.61846%0.464SS*.Hα-helixtrans-58.3-42.9174.2-85.8153.5000112.2G171 L172 S177 E178 Q179G171-L175 PolarHBondContact O-N 3.46Å; L172-L175 PolarHBondContact O-N 3.38Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 3.01Å; L175-E178 PolarHBondContact O-N 2.94Å; L175-Q179 WeakPolarHBondContact O-CB 3.45Å; L175-Q179 PolarHBondContact O-N 3.37Å
176Q78.1Confident81.6Confident83 Ų8382.6 Ų82.639%0.38847%0.466SS..Hα-helixtrans-63.7-38.3177-169.6172.47.800111.6L172 S173 A174 Q179 G180L172-Q176 WeakPolarHBondContact O-CB 3.42Å; L172-Q176 PolarHBondContact O-N 3.31Å; S173-Q176 PolarHBondContact O-N 3.33Å; A174-Q176 VanDerWaalsContact C-N 3.32Å; A174-Q176 PolarHBondContact O-N 2.96Å; Q176-Q179 PolarHBondContact O-N 2.87Å; Q176-G180 PolarHBondContact O-N 2.97Å
177S80.6Confident82.1Confident74 Ų7484.1 Ų84.152%0.51747%0.471SS..Hα-helixtrans-66.8-41.8175.977.10000112.7S173 A174 L175 Q179 G180 R181S173-S177 PolarHBondContact O-N 3.35Å; A174-S177 PolarHBondContact O-N 3.41Å; A174-S177 VanDerWaalsContact O-N 3.16Å; A174-S177 PolarHBondContact O-OG 2.91Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 3.01Å; S177-Q179 VanDerWaalsContact C-N 3.34Å; S177-G180 PolarHBondContact O-N 3.42Å; S177-R181 WeakPolarHBondContact O-CB 3.32Å; S177-R181 PolarHBondContact O-N 2.95Å
178E89.8Confident82.5Confident100 Ų10085.3 Ų85.347%0.46747%0.471SS..Hα-helixtrans-64.4-40174.6-80-61.4150.600111.5A174 L175 R181 L182A174-E178 PolarHBondContact O-N 3.36Å; L175-E178 PolarHBondContact O-N 2.94Å; E178-R181 WeakPolarHBondContact O-CB 3.41Å; E178-R181 PolarHBondContact O-N 3.25Å; E178-L182 WeakPolarHBondContact O-CG 3.26Å; E178-L182 PolarHBondContact O-N 2.91Å
179Q79.9Confident83.1Confident42 Ų4283 Ų8320%0.19646%0.463CS..Hα-helixtrans-64.6-43175.9-167.8170.224.600111.9P66 L175 Q176 S177 R181 L182 I183P66-Q179 PolarHBondContact O-NE2 3.29Å; L175-Q179 WeakPolarHBondContact O-CB 3.45Å; L175-Q179 PolarHBondContact O-N 3.37Å; Q176-Q179 PolarHBondContact O-N 2.87Å; S177-Q179 VanDerWaalsContact C-N 3.34Å; Q179-R181 VanDerWaalsContact C-N 3.29Å; Q179-R181 PolarHBondContact O-N 3.43Å; Q179-L182 PolarHBondContact O-N 3.34Å; Q179-I183 HydrophobicContact CG-CD1 4.24Å; Q179-I183 VanDerWaalsContact O-CG1 3.3Å; Q179-I183 WeakPolarHBondContact O-CG1 3.39Å; Q179-I183 PolarHBondContact O-N 2.94Å
180G78.3Confident83.4Confident40 Ų4087 Ų8741%0.41247%0.473SS..Hα-helixtrans-59.2-41.1173.500000112.3Q176 S177 I183 Q184Q176-G180 PolarHBondContact O-N 2.97Å; S177-G180 PolarHBondContact O-N 3.42Å; G180-I183 PolarHBondContact O-N 3.27Å; G180-Q184 PolarHBondContact O-N 2.86Å
181R90.9Very high83.9Confident158 Ų15882.6 Ų82.660%0.59646%0.463SS*.Hα-helixtrans-64.9-42.1175.3-179.3-178.8154.1148.4-2.6112.5S177 E178 Q179 Q184 L185S177-R181 WeakPolarHBondContact O-CB 3.32Å; S177-R181 PolarHBondContact O-N 2.95Å; E178-R181 WeakPolarHBondContact O-CB 3.41Å; E178-R181 PolarHBondContact O-N 3.25Å; Q179-R181 VanDerWaalsContact C-N 3.29Å; Q179-R181 PolarHBondContact O-N 3.43Å; R181-Q184 WeakPolarHBondContact O-CB 3.35Å; R181-Q184 PolarHBondContact O-N 2.76Å; R181-L185 HydrophobicContact CG-CD1 4.43Å; R181-L185 WeakPolarHBondContact O-CG 3.42Å; R181-L185 PolarHBondContact O-N 2.95Å
182L89.2Confident84.4Confident101 Ų10186.5 Ų86.553%0.52947%0.472SS..Hα-helixtrans-64.3-41.4176-79.3168.6000112.1E178 Q179 Q184 L185 L186E178-L182 WeakPolarHBondContact O-CG 3.26Å; E178-L182 PolarHBondContact O-N 2.91Å; Q179-L182 PolarHBondContact O-N 3.34Å; L182-Q184 VanDerWaalsContact C-N 3.3Å; L182-Q184 PolarHBondContact O-N 3.04Å; L182-L185 PolarHBondContact O-N 2.98Å; L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 3.17Å
183I78.1Confident84.8Confident88 Ų8888.4 Ų88.445%0.45148%0.481SS..Hα-helixtrans-60.8-43.2175.1-68.7165.9000110.2Q179 G180 L186 S187Q179-I183 HydrophobicContact CG-CD1 4.24Å; Q179-I183 VanDerWaalsContact O-CG1 3.3Å; Q179-I183 WeakPolarHBondContact O-CG1 3.39Å; Q179-I183 PolarHBondContact O-N 2.94Å; G180-I183 PolarHBondContact O-N 3.27Å; I183-L186 PolarHBondContact O-N 2.86Å; I183-S187 WeakPolarHBondContact O-CB 3.37Å; I183-S187 PolarHBondContact O-N 3.21Å
184Q88.3Confident85.5Confident128 Ų12887.6 Ų87.660%0.59848%0.478SS*.Hα-helixtrans-60.4-47.9176.9-169.469.67.900111.7G180 R181 L182 L186 S187 E188G180-Q184 PolarHBondContact O-N 2.86Å; R181-Q184 WeakPolarHBondContact O-CB 3.35Å; R181-Q184 PolarHBondContact O-N 2.76Å; L182-Q184 VanDerWaalsContact C-N 3.3Å; L182-Q184 PolarHBondContact O-N 3.04Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-L186 PolarHBondContact O-N 2.89Å; Q184-S187 PolarHBondContact O-N 3.46Å; Q184-E188 WeakPolarHBondContact O-CB 3.01Å; Q184-E188 PolarHBondContact O-N 3.49Å
185L91.8Very high86Confident87 Ų8791.3 Ų91.346%0.45549%0.487SS..Hα-helixtrans-62.9-38.8178.1-72.7171.2000112.4R181 L182 E188 S189R181-L185 HydrophobicContact CG-CD1 4.43Å; R181-L185 WeakPolarHBondContact O-CG 3.42Å; R181-L185 PolarHBondContact O-N 2.95Å; L182-L185 PolarHBondContact O-N 2.98Å; L185-E188 PolarHBondContact O-N 3.35Å; L185-S189 VanDerWaalsContact O-CB 3.25Å; L185-S189 WeakPolarHBondContact O-CB 3.39Å; L185-S189 PolarHBondContact O-N 3.4Å
186L85.9Confident86.6Confident102 Ų10290.9 Ų90.953%0.53448%0.484SS..Hα-helixtrans-65.7-44175.8-80164.3000111.5L182 I183 Q184 E188 S189 Q190L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 3.17Å; I183-L186 PolarHBondContact O-N 2.86Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-L186 PolarHBondContact O-N 2.89Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.47Å; L186-S189 PolarHBondContact O-N 2.87Å; L186-Q190 WeakPolarHBondContact O-CB 3.46Å; L186-Q190 VanDerWaalsContact O-CG 3.22Å; L186-Q190 WeakPolarHBondContact O-CG 3.4Å; L186-Q190 PolarHBondContact O-N 2.95Å
187S85.4Confident87.2Confident72 Ų7291.3 Ų91.350%0.50349%0.492SS..Hα-helixtrans-62.2-41.3175.9-174.60000111.7I183 Q184 Q190 G191I183-S187 WeakPolarHBondContact O-CB 3.37Å; I183-S187 PolarHBondContact O-N 3.21Å; Q184-S187 PolarHBondContact O-N 3.46Å; S187-Q190 PolarHBondContact O-N 2.85Å; S187-G191 PolarHBondContact O-N 3.4Å
188E89.4Confident87.7Confident104 Ų10492.5 Ų92.549%0.48649%0.493SS..Hα-helixtrans-68.9-42.3179.6-169.2167.5-155.900111.5Q184 L185 L186 G191 H192Q184-E188 WeakPolarHBondContact O-CB 3.01Å; Q184-E188 PolarHBondContact O-N 3.49Å; L185-E188 PolarHBondContact O-N 3.35Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.47Å; E188-G191 PolarHBondContact O-N 3.33Å; E188-H192 PolarHBondContact O-N 2.92Å; E188-H192 PolarHBondContact O-ND1 2.88Å
189S88.8Confident87.9Confident55 Ų5590 Ų9039%0.38549%0.487SS..Hα-helixtrans-59.1-45.6171.1165.90000112.3L185 L186 G191 H192 M193L185-S189 VanDerWaalsContact O-CB 3.25Å; L185-S189 WeakPolarHBondContact O-CB 3.39Å; L185-S189 PolarHBondContact O-N 3.4Å; L186-S189 PolarHBondContact O-N 2.87Å; S189-G191 VanDerWaalsContact C-N 3.33Å; S189-G191 PolarHBondContact O-N 2.87Å; S189-H192 PolarHBondContact O-N 3.12Å; S189-M193 PolarHBondContact O-N 3.41Å
190Q83.4Confident88.6Confident123 Ų12392 Ų9258%0.57550%0.501SS*.Hα-helixtrans-62.4-40.2177-75.4174.74.700111.8L186 S187 M193 A194L186-Q190 WeakPolarHBondContact O-CB 3.46Å; L186-Q190 VanDerWaalsContact O-CG 3.22Å; L186-Q190 WeakPolarHBondContact O-CG 3.4Å; L186-Q190 PolarHBondContact O-N 2.95Å; S187-Q190 PolarHBondContact O-N 2.85Å; Q190-M193 PolarHBondContact O-N 3Å; Q190-A194 WeakPolarHBondContact O-CB 3.47Å; Q190-A194 PolarHBondContact O-N 3.02Å
191G89.6Confident89.2Confident42 Ų4293 Ų9343%0.43350%0.502SS..Hα-helixtrans-60.9-46.2173.700000112.7S187 E188 S189 A194 H195S187-G191 PolarHBondContact O-N 3.4Å; E188-G191 PolarHBondContact O-N 3.33Å; S189-G191 VanDerWaalsContact C-N 3.33Å; S189-G191 PolarHBondContact O-N 2.87Å; G191-A194 PolarHBondContact O-N 2.76Å; G191-H195 PolarHBondContact O-N 3.31Å
192H91.6Very high89.3Confident115 Ų11590.4 Ų90.453%0.53250%0.5SS..Hα-helixtrans-63-42.6176.6-72113.7000112.6E188 S189 H195 L196E188-H192 PolarHBondContact O-N 2.92Å; E188-H192 PolarHBondContact O-ND1 2.88Å; S189-H192 PolarHBondContact O-N 3.12Å; H192-H195 PolarHBondContact O-N 2.88Å; H192-L196 WeakPolarHBondContact O-CG 3.29Å; H192-L196 PolarHBondContact O-N 2.93Å
193M87.9Confident89.5Confident105 Ų10590.1 Ų90.152%0.51750%0.498SS..Hα-helixtrans-64.2-43176.2-74.3-164.8-67.400112S189 Q190 H195 L196 V197S189-M193 PolarHBondContact O-N 3.41Å; Q190-M193 PolarHBondContact O-N 3Å; M193-H195 VanDerWaalsContact C-N 3.3Å; M193-H195 PolarHBondContact O-N 2.9Å; M193-L196 PolarHBondContact O-N 3.39Å; M193-V197 WeakPolarHBondContact O-CG2 2.92Å; M193-V197 PolarHBondContact O-N 2.83Å
194A86.1Confident89.8Confident52 Ų5290.7 Ų90.743%0.4350%0.502SS..Hα-helixtrans-60-42.1175.400000111.5Q190 G191 V197 N198Q190-A194 WeakPolarHBondContact O-CB 3.47Å; Q190-A194 PolarHBondContact O-N 3.02Å; G191-A194 PolarHBondContact O-N 2.76Å; A194-V197 PolarHBondContact O-N 2.99Å; A194-N198 VanDerWaalsContact O-CG 3.28Å; A194-N198 PolarHBondContact O-N 3.12Å; A194-N198 PolarHBondContact O-ND2 3.17Å
195H91.5Very high89.6Confident129 Ų12987.8 Ų87.860%0.59749%0.49SS*.Hα-helixtrans-63.2-43.2175.6-177.1-84.7000112.5G191 H192 M193 N198 S199G191-H195 PolarHBondContact O-N 3.31Å; H192-H195 PolarHBondContact O-N 2.88Å; M193-H195 VanDerWaalsContact C-N 3.3Å; M193-H195 PolarHBondContact O-N 2.9Å; H195-N198 PolarHBondContact O-N 3.47Å; H195-S199 WeakPolarHBondContact O-CB 3.45Å; H195-S199 PolarHBondContact O-N 3.1Å
196L94.2Very high89.2Confident108 Ų10886.1 Ų86.157%0.56549%0.489SS*.Hα-helixtrans-60.7-43.7175.4-79.1157.7000111.7H192 M193 N198 S199 V200H192-L196 WeakPolarHBondContact O-CG 3.29Å; H192-L196 PolarHBondContact O-N 2.93Å; M193-L196 PolarHBondContact O-N 3.39Å; L196-N198 VanDerWaalsContact C-N 3.34Å; L196-N198 PolarHBondContact O-N 3.4Å; L196-S199 PolarHBondContact O-N 3.49Å; L196-V200 WeakPolarHBondContact O-CB 3.34Å; L196-V200 VanDerWaalsContact O-CG2 3.29Å; L196-V200 WeakPolarHBondContact O-CG2 3.41Å; L196-V200 PolarHBondContact O-N 2.75Å
197V91.5Very high88.9Confident92 Ų9285.8 Ų85.856%0.55849%0.487SS*.Hα-helixtrans-62.7-41.7177.7170.30000111.5M193 A194 S201M193-V197 WeakPolarHBondContact O-CG2 2.92Å; M193-V197 PolarHBondContact O-N 2.83Å; A194-V197 PolarHBondContact O-N 2.99Å; V197-S201 WeakPolarHBondContact O-CB 3.43Å; V197-S201 PolarHBondContact O-N 2.66Å; V197-S201 PolarHBondContact O-OG 2.9Å
198N90.3Very high88.4Confident100 Ų10087.6 Ų87.654%0.53549%0.488SS..Hα-helixtrans-65.5-47.6176.6-69.9-17.9000111.3A194 H195 L196 V200 S201 D202A194-N198 VanDerWaalsContact O-CG 3.28Å; A194-N198 PolarHBondContact O-N 3.12Å; A194-N198 PolarHBondContact O-ND2 3.17Å; H195-N198 PolarHBondContact O-N 3.47Å; L196-N198 VanDerWaalsContact C-N 3.34Å; L196-N198 PolarHBondContact O-N 3.4Å; N198-V200 PolarHBondContact O-N 3.19Å; N198-S201 WeakPolarHBondContact O-CB 3.4Å; N198-S201 PolarHBondContact O-N 2.99Å; N198-S201 VanDerWaalsContact O-N 3.12Å; N198-D202 VanDerWaalsContact O-CG 3.31Å; N198-D202 PolarHBondContact O-N 3.48Å
199S94.5Very high87.6Confident47 Ų4790.6 Ų90.633%0.32949%0.494SS..Hα-helixtrans-59.5-43.7177.2174.40000112.6H195 L196 S201 D202 I203H195-S199 WeakPolarHBondContact O-CB 3.45Å; H195-S199 PolarHBondContact O-N 3.1Å; L196-S199 PolarHBondContact O-N 3.49Å; S199-S201 VanDerWaalsContact C-N 3.35Å; S199-D202 PolarHBondContact O-N 3.33Å; S199-I203 VanDerWaalsContact O-CG1 3.28Å; S199-I203 WeakPolarHBondContact O-CG1 3.4Å; S199-I203 PolarHBondContact O-N 2.91Å
200V93Very high86.5Confident84 Ų8494 Ų9451%0.50951%0.509SS..Hα-helixtrans-65.2-40.3175.4171.90000111L196 N198 I203 L204L196-V200 WeakPolarHBondContact O-CB 3.34Å; L196-V200 VanDerWaalsContact O-CG2 3.29Å; L196-V200 WeakPolarHBondContact O-CG2 3.41Å; L196-V200 PolarHBondContact O-N 2.75Å; N198-V200 PolarHBondContact O-N 3.19Å; V200-I203 PolarHBondContact O-N 3.29Å; V200-L204 WeakPolarHBondContact O-CB 3.23Å; V200-L204 PolarHBondContact O-N 3.46Å
201S92.6Very high85.5Confident60 Ų6098.3 Ų98.342%0.4252%0.52SS..Hα-helixtrans-60.3-45.2174.7-66.40000111.4V197 N198 S199 I203 L204 D205V197-S201 WeakPolarHBondContact O-CB 3.43Å; V197-S201 PolarHBondContact O-N 2.66Å; V197-S201 PolarHBondContact O-OG 2.9Å; N198-S201 WeakPolarHBondContact O-CB 3.4Å; N198-S201 PolarHBondContact O-N 2.99Å; N198-S201 VanDerWaalsContact O-N 3.12Å; S199-S201 VanDerWaalsContact C-N 3.35Å; S201-I203 PolarHBondContact O-N 2.94Å; S201-L204 WeakPolarHBondContact O-CB 3.28Å; S201-L204 PolarHBondContact O-N 3.01Å; S201-D205 WeakPolarHBondContact O-CB 3.29Å; S201-D205 PolarHBondContact O-N 3.22Å
202D92.9Very high83.7Confident104 Ų10499 Ų9956%0.55653%0.527SS*.Hα-helixtrans-62.8-41.6179-69-24.6000112.2N198 S199 D205 A206N198-D202 VanDerWaalsContact O-CG 3.31Å; N198-D202 PolarHBondContact O-N 3.48Å; S199-D202 PolarHBondContact O-N 3.33Å; D202-D205 WeakPolarHBondContact O-CB 3.25Å; D202-D205 PolarHBondContact O-N 2.84Å; D202-A206 WeakPolarHBondContact O-CB 3.45Å; D202-A206 PolarHBondContact O-N 3.38Å
203I92.1Very high81.8Confident96 Ų96101.7 Ų101.749%0.49254%0.544SS..Hα-helixtrans-65.6-42.5175.2-66.4164.7000110.4S199 V200 S201 D205 A206 L207S199-I203 VanDerWaalsContact O-CG1 3.28Å; S199-I203 WeakPolarHBondContact O-CG1 3.4Å; S199-I203 PolarHBondContact O-N 2.91Å; V200-I203 PolarHBondContact O-N 3.29Å; S201-I203 PolarHBondContact O-N 2.94Å; I203-D205 VanDerWaalsContact C-N 3.29Å; I203-D205 PolarHBondContact O-N 2.9Å; I203-A206 PolarHBondContact O-N 2.77Å; I203-L207 HydrophobicContact CG2-CD1 4.04Å; I203-L207 HydrophobicContact CG2-CG 4.43Å; I203-L207 WeakPolarHBondContact O-CB 3.05Å; I203-L207 VanDerWaalsContact O-CG 3.31Å; I203-L207 WeakPolarHBondContact O-CG 3.43Å; I203-L207 PolarHBondContact O-N 3.38Å
204L84.9Confident80.1Confident100 Ų10099.5 Ų99.552%0.52455%0.548SS..Hα-helixtrans-61.7-42.1177.3-141.295.7000110.9V200 S201 L207 Q208V200-L204 WeakPolarHBondContact O-CB 3.23Å; V200-L204 PolarHBondContact O-N 3.46Å; S201-L204 WeakPolarHBondContact O-CB 3.28Å; S201-L204 PolarHBondContact O-N 3.01Å; L204-L207 PolarHBondContact O-N 3.34Å; L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 WeakPolarHBondContact O-CG 3.4Å; L204-Q208 PolarHBondContact O-N 3.45Å
205D83.8Confident78Confident66 Ų66108.3 Ų108.335%0.35357%0.57SS.*Hα-helixtrans-62.8-44.2176.1-112.825.7000111.4S201 D202 I203 Q208 R209S201-D205 WeakPolarHBondContact O-CB 3.29Å; S201-D205 PolarHBondContact O-N 3.22Å; D202-D205 WeakPolarHBondContact O-CB 3.25Å; D202-D205 PolarHBondContact O-N 2.84Å; I203-D205 VanDerWaalsContact C-N 3.29Å; I203-D205 PolarHBondContact O-N 2.9Å; D205-Q208 PolarHBondContact O-N 2.81Å; D205-R209 WeakPolarHBondContact O-CG 3.38Å; D205-R209 PolarHBondContact O-N 2.84Å; D205-R209 IonicContact OD2-CZ 3.7Å; D205-R209 IonicContact OD2-NH1 3.84Å; D205-R209 IonicContact OD2-NH2 3.4Å; D205-R209 PolarHBondContact OD2-NH2 3.32Å
206A84Confident76Confident52 Ų52108 Ų10843%0.4358%0.58SS.*Hα-helixtrans-62.7-44.4175.700000111.7D202 I203 Q208 R209 D210D202-A206 WeakPolarHBondContact O-CB 3.45Å; D202-A206 PolarHBondContact O-N 3.38Å; I203-A206 PolarHBondContact O-N 2.77Å; A206-Q208 VanDerWaalsContact C-N 3.34Å; A206-Q208 PolarHBondContact O-N 2.76Å; A206-R209 PolarHBondContact O-N 3.42Å; A206-D210 PolarHBondContact O-N 3.03Å
207L79.1Confident73.6Confident95 Ų95113.8 Ų113.850%0.49759%0.594SS.*Hα-helixtrans-66.4-34.6175.7-70.7172.5000112.5I203 L204 R211I203-L207 HydrophobicContact CG2-CD1 4.04Å; I203-L207 HydrophobicContact CG2-CG 4.43Å; I203-L207 WeakPolarHBondContact O-CB 3.05Å; I203-L207 VanDerWaalsContact O-CG 3.31Å; I203-L207 WeakPolarHBondContact O-CG 3.43Å; I203-L207 PolarHBondContact O-N 3.38Å; L204-L207 PolarHBondContact O-N 3.34Å; L207-R211 WeakPolarHBondContact O-CB 3.36Å; L207-R211 WeakPolarHBondContact O-CG 3.43Å; L207-R211 PolarHBondContact O-N 2.79Å
208Q74.3Confident71.7Confident111 Ų111117.2 Ų117.252%0.51961%0.609SS.*Hα-helixtrans-68.2-35.8172.8-82.5-176.5-53.500112.2L204 D205 A206 G212L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 WeakPolarHBondContact O-CG 3.4Å; L204-Q208 PolarHBondContact O-N 3.45Å; D205-Q208 PolarHBondContact O-N 2.81Å; A206-Q208 VanDerWaalsContact C-N 3.34Å; A206-Q208 PolarHBondContact O-N 2.76Å; Q208-G212 PolarHBondContact O-N 3.22Å
209R73.3Confident69.2Low166 Ų166121 Ų12163%0.62662%0.621SS**Hα-helixtrans-68.7-40.7173.8-73.1-177.1-164.210013.1111.9D205 A206 G212D205-R209 WeakPolarHBondContact O-CG 3.38Å; D205-R209 PolarHBondContact O-N 2.84Å; D205-R209 IonicContact OD2-CZ 3.7Å; D205-R209 IonicContact OD2-NH1 3.84Å; D205-R209 IonicContact OD2-NH2 3.4Å; D205-R209 PolarHBondContact OD2-NH2 3.32Å; A206-R209 PolarHBondContact O-N 3.42Å; R209-G212 WeakPolarHBondContact O-CA 3.4Å; R209-G212 PolarHBondContact O-N 3.23Å
210D66.7Low66.6Low128 Ų128123.5 Ų123.568%0.68464%0.644SS**Hα-helixtrans-69.7-35.8179.3-162.141.3000112.3A206 G212A206-D210 PolarHBondContact O-N 3.03Å; D210-G212 PolarHBondContact O-N 3.42Å
211R61.4Low63.9Low213 Ų213127 Ų12780%0.80466%0.66SS**G310 helixtrans-71.3-5.2168.6-72.8178.8175.7174.40.4114L207L207-R211 WeakPolarHBondContact O-CB 3.36Å; L207-R211 WeakPolarHBondContact O-CG 3.43Å; L207-R211 PolarHBondContact O-N 2.79Å
212G51.6Low61.7Low57 Ų57132.7 Ų132.759%0.58869%0.685SS**G310 helixtrans-81.6-8.5-176.600000116Q208 R209 D210Q208-G212 PolarHBondContact O-N 3.22Å; R209-G212 WeakPolarHBondContact O-CA 3.4Å; R209-G212 PolarHBondContact O-N 3.23Å; D210-G212 PolarHBondContact O-N 3.42Å
213L51.2Low59.6Low170 Ų170135.4 Ų135.489%0.8969%0.694SS**G310 helixtrans-90.38.1178.1-85.1162.2000114.5
214G52.2Low57.1Low59 Ų59141.5 Ų141.561%0.60871%0.711SS**SBendtrans-132.593.8177.800000113.1
215R42.9Very low55.2Low237 Ų237141.4 Ų141.489%0.89473%0.725SS**SBendtrans100.3130164.5-151.9171.4-167.3-169.33.4116.1R217R215-R217 PolarHBondContact O-N 3.44Å
216P49Very low53.1Low122 Ų122143.9 Ų143.979%0.79275%0.745SS**  trans-78125.8-170.432.3-33000109.5
217R44.7Very low51.2Low230 Ų230145.7 Ų145.787%0.86876%0.759SS**  trans-136.6104.3166.3-159.1167.6173.2134.5-3.2106.9R215 K219R215-R217 PolarHBondContact O-N 3.44Å; R217-K219 PolarHBondContact O-N 2.77Å
218N51.9Low49.6Very low164 Ų164152.9 Ų152.988%0.87778%0.78SS**  trans-34.4105.7175.5-53.8-21.1000110.5
219K36.6Very low48.2Very low181 Ų181151.2 Ų151.279%0.78779%0.792SS**PPolyproline II helixtrans-103.3116.7160.9-81.1-170175.3-175.20106.1R217 D221R217-K219 PolarHBondContact O-N 2.77Å; K219-D221 PolarHBondContact O-N 3.37Å
220A40.7Very low46.7Very low98 Ų98150 Ų15081%0.8180%0.803SS**PPolyproline II helixtrans-61128.1166.200000108.4
221D36.2Very low45.9Very low157 Ų157155.5 Ų155.584%0.8481%0.814SS**PPolyproline II helixtrans-63.6129.5167.9-71.5-56.6000109.9K219K219-D221 PolarHBondContact O-N 3.37Å
222L46.9Very low45.1Very low180 Ų180149.6 Ų149.694%0.94280%0.804SS**  trans-112.772.4159.4-113.5155.8000107.1
223Q47.7Very low45.2Very low162 Ų162158.4 Ų158.476%0.75782%0.82SS**  trans-136.2131.7156.3-86.4-170.533.500110.9
224R39.9Very low45.3Very low224 Ų224152 Ų15285%0.84579%0.794SS**  trans75.4111156.7-158.6141.7-75.4164.4-2.9115.3
225A44.4Very low45.2Very low98 Ų98151.1 Ų151.181%0.8178%0.779SS**  trans-50.4141.1170.500000112
226P40.6Very low45.8Very low118 Ų118143.9 Ų143.977%0.76677%0.769SS**  trans-110147.714128.3-14.5000110.4
227A44.2Very low46Very low90 Ų90145.5 Ų145.574%0.74478%0.777SS**SBendtrans-53.8146.8169.900000112.1
228R45.7Very low46.6Very low246 Ų246138.5 Ų138.593%0.92878%0.776SS**SBendtrans62.9101.6163.7-62.4-178.1-168.9-1763.4116.8
229G44.3Very low47.7Very low75 Ų75133.7 Ų133.777%0.77376%0.756SS**  102.864.2123.800000117.8
230T40.9Very low50.1Low140 Ų140131.3 Ų131.386%0.85974%0.742SS**  trans-145.7115.9144.711.90000108.3
231R50.1Low52.5Low244 Ų244128.3 Ų128.392%0.92171%0.714SS**  trans-54.5127-178-69.3177.8-179.2170.7-0.9109.9
232P45.6Very low55.2Low90 Ų90127 Ų12758%0.58470%0.697SS**  trans-61.7145.3167.6-12.126.6000108.3G234 L249P232-G234 PolarHBondContact O-N 2.82Å; P232-L249 HydrophobicContact CB-CD2 4.02Å; P232-L249 HydrophobicContact CG-CD2 3.94Å
233R52.3Low57.4Low242 Ų242121.3 Ų121.391%0.91367%0.668SS**  trans-54.4105.8178.5-71.5-177.5-169.9-138.91.4108.9
234G54.2Low59.6Low35 Ų35113.6 Ų113.636%0.36163%0.632SS.*  trans-55.6158.4161.300000109.6P232 A236P232-G234 PolarHBondContact O-N 2.82Å; G234-A236 PolarHBondContact O-N 2.8Å
235C50.6Low62.2Low41 Ų41107 Ų10728%0.27761%0.613SS.*  trans-37.3132170.6-64.20000110.7T237 S239C235-T237 PolarHBondContact O-N 3.46Å; C235-S239 WeakPolarHBondContact CB-OG 3.31Å
236A55.5Low64.4Low84 Ų84103.9 Ų103.969%0.69458%0.583SS**  trans-50.8120168.400000106.9G234 G238 S239G234-A236 PolarHBondContact O-N 2.8Å; A236-G238 PolarHBondContact O-N 3.3Å; A236-S239 PolarHBondContact O-N 2.87Å; A236-S239 VanDerWaalsContact O-N 3.12Å
237T51.9Low66.9Low156 Ų15698.5 Ų98.596%0.95755%0.547SS*.THydrogen-bonded Turntrans-37.4100.3-174.5220000110.9C235C235-T237 PolarHBondContact O-N 3.46Å
238G59.3Low69.1Low83 Ų8396 Ų9686%0.85652%0.521SS*.THydrogen-bonded Turntrans127.5-12.8177.700000117.4A236A236-G238 PolarHBondContact O-N 3.3Å
239S73.6Confident71.1Confident64 Ų6487.3 Ų87.345%0.44849%0.493SS..PPolyproline II helixtrans-82.4132.1174.764.70000111.9C235 A236C235-S239 WeakPolarHBondContact CB-OG 3.31Å; A236-S239 PolarHBondContact O-N 2.87Å; A236-S239 VanDerWaalsContact O-N 3.12Å
240R86.6Confident73.1Confident131 Ų13187.3 Ų87.349%0.49448%0.481SS..PPolyproline II helixtrans-62.9140.7173.8-67.5180-72164.12.2110.5F261 P266R240-F261 HydrophobicContact CB-CB 4.01Å; R240-F261 HydrophobicContact CB-CD2 3.47Å; R240-F261 VanDerWaalsContact CB-CD2 3.47Å; R240-F261 HydrophobicContact CB-CE2 4.01Å; R240-F261 HydrophobicContact CB-CG 3.75Å; R240-F261 HydrophobicContact CG-CD2 4.14Å; R240-F261 HydrophobicContact CG-CE2 4.24Å; R240-F261 HydrophobicContact CG-CG 4.39Å; R240-P266 VanDerWaalsContact CZ-O 3.3Å; R240-P266 PolarHBondContact NH1-O 3.49Å; R240-P266 PolarHBondContact NH2-O 2.97Å
241P91.5Very high75.3Confident34 Ų3483 Ų8322%0.22147%0.465CS..PPolyproline II helixtrans-66.3136.6-176.227.6-34.6000110.6D246 V247 V260 F261P241-D246 HydrophobicContact CB-CB 3.74Å; P241-V247 HydrophobicContact CB-CG2 3.65Å; P241-V247 HydrophobicContact CG-CG2 3.86Å; P241-V260 CarbonylContact O-C 3.59Å; P241-V260 WeakPolarHBondContact O-CA 3.43Å; P241-F261 PolarHBondContact O-N 2.83Å
242R92.7Very high77.1Confident129 Ų12975.7 Ų75.749%0.48744%0.441SS..SBendtrans-86.8-28-176.2-61.4175-178.5-120.11112.9D246 T263R242-D246 VanDerWaalsContact CB-OD2 3.29Å; R242-D246 WeakPolarHBondContact CB-OD2 3.21Å; R242-D246 WeakPolarHBondContact CG-OD2 3.31Å; R242-D246 PolarHBondContact N-OD2 3.45Å; R242-T263 PolarHBondContact NH1-OG1 3.3Å
243D93Very high79.2Confident62 Ų6278.1 Ų78.133%0.33245%0.445SS..SBendtrans-154.4178.5-17755.542.3000110.6L245 D246 V247D243-L245 PolarHBondContact O-N 2.88Å; D243-L245 WeakPolarHBondContact OD1-CA 3.47Å; D243-L245 VanDerWaalsContact OD1-CB 3.32Å; D243-L245 WeakPolarHBondContact OD1-CB 3.14Å; D243-L245 PolarHBondContact OD1-N 3.37Å; D243-D246 PolarHBondContact O-N 2.92Å; D243-D246 PolarHBondContact OD1-N 3.24Å; D243-V247 WeakPolarHBondContact O-CG2 3.24Å; D243-V247 PolarHBondContact O-N 3.45Å
244C94.4Very high81.2Confident0 Ų072.1 Ų72.10%043%0.43CS..Hα-helixtrans-66.1-21.7178.7-65.90000113.8V247 L248 C273 M275 G281 T283C244-V247 PolarHBondContact O-N 3.39Å; C244-L248 PolarHBondContact O-N 3.5Å; C244-C273 VanDerWaalsContact CA-SG 3.57Å; C244-C273 HydrophobicContact CB-CB 3.57Å; C244-C273 WeakPolarHBondContact CB-SG 3.46Å; C244-C273 WeakPolarHBondContact SG-CA 3.47Å; C244-C273 WeakPolarHBondContact SG-CB 3.25Å; C244-C273 CovalentContact SG-SG 2.02Å; C244-C273 PolarHBondContact SG-SG 2.98Å; C244-M275 HydrophobicContact CB-CE 4.47Å; C244-G281 CarbonylContact C-O 3.56Å; C244-G281 WeakPolarHBondContact CB-O 3.22Å; C244-T283 VanDerWaalsContact CB-OG1 3.31Å; C244-T283 WeakPolarHBondContact CB-OG1 3.46Å; C244-T283 PolarHBondContact N-OG1 3.14Å; C244-T283 VanDerWaalsContact SG-CA 3.57Å; C244-T283 PolarHBondContact SG-OG1 2.93Å
245L94.1Very high83.2Confident85 Ų8573 Ų7345%0.44543%0.427SS..Hα-helixtrans-72.2-42175.6-179.463.1000110.3D243 V247 L248 L249 G281D243-L245 PolarHBondContact O-N 2.88Å; D243-L245 WeakPolarHBondContact OD1-CA 3.47Å; D243-L245 VanDerWaalsContact OD1-CB 3.32Å; D243-L245 WeakPolarHBondContact OD1-CB 3.14Å; D243-L245 PolarHBondContact OD1-N 3.37Å; L245-V247 VanDerWaalsContact C-N 3.26Å; L245-V247 PolarHBondContact O-N 2.94Å; L245-L248 HydrophobicContact CD1-CD2 4.25Å; L245-L248 WeakPolarHBondContact O-CB 3.3Å; L245-L248 PolarHBondContact O-N 2.92Å; L245-L249 HydrophobicContact CD1-CG 4.48Å; L245-L249 HydrophobicContact CG-CD1 4.27Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 VanDerWaalsContact O-CG 3.26Å; L245-L249 WeakPolarHBondContact O-CG 3.42Å; L245-L249 PolarHBondContact O-N 3.45Å; L245-G281 PolarHBondContact N-O 3.2Å
246D92.4Very high85.3Confident33 Ų3371.9 Ų71.918%0.17642%0.422CS..Hα-helixtrans-59.8-39.4171.4-81-15000111.6P241 R242 D243 L249 S250P241-D246 HydrophobicContact CB-CB 3.74Å; R242-D246 VanDerWaalsContact CB-OD2 3.29Å; R242-D246 WeakPolarHBondContact CB-OD2 3.21Å; R242-D246 WeakPolarHBondContact CG-OD2 3.31Å; R242-D246 PolarHBondContact N-OD2 3.45Å; D243-D246 PolarHBondContact O-N 2.92Å; D243-D246 PolarHBondContact OD1-N 3.24Å; D246-L249 PolarHBondContact O-N 2.92Å; D246-S250 WeakPolarHBondContact O-CB 3.27Å; D246-S250 PolarHBondContact O-N 3.48Å
247V91.2Very high87.2Confident4 Ų472.1 Ų72.12%0.02442%0.415CS..Hα-helixtrans-62.6-45.8174.8178.70000110.5P241 D243 C244 L245 L249 S250 Q252 Y258 V260 M275P241-V247 HydrophobicContact CB-CG2 3.65Å; P241-V247 HydrophobicContact CG-CG2 3.86Å; D243-V247 WeakPolarHBondContact O-CG2 3.24Å; D243-V247 PolarHBondContact O-N 3.45Å; C244-V247 PolarHBondContact O-N 3.39Å; L245-V247 VanDerWaalsContact C-N 3.26Å; L245-V247 PolarHBondContact O-N 2.94Å; V247-L249 PolarHBondContact O-N 2.93Å; V247-S250 WeakPolarHBondContact O-CB 3.49Å; V247-S250 PolarHBondContact O-N 3.42Å; V247-S250 VanDerWaalsContact O-N 3.17Å; V247-S250 PolarHBondContact O-OG 2.96Å; V247-Q252 HydrophobicContact CG1-CB 3.7Å; V247-Q252 HydrophobicContact CG1-CG 3.91Å; V247-Q252 PolarHBondContact O-N 2.92Å; V247-Y258 HydrophobicContact CG1-CD1 3.49Å; V247-Y258 VanDerWaalsContact CG1-CD1 3.49Å; V247-Y258 HydrophobicContact CG1-CD2 4.33Å; V247-Y258 HydrophobicContact CG1-CE1 3.75Å; V247-Y258 HydrophobicContact CG1-CG 3.79Å; V247-V260 HydrophobicContact CG2-CG1 4.38Å; V247-M275 HydrophobicContact CB-CE 3.72Å; V247-M275 HydrophobicContact CG1-CE 3.39Å
248L90.6Very high89.2Confident38 Ų3866.7 Ų66.720%0.19938%0.377CS..Hα-helixtrans-59.2-45.9175-175.774.3000111.9C244 L245 S250 G251 Q252 M275C244-L248 PolarHBondContact O-N 3.5Å; L245-L248 HydrophobicContact CD1-CD2 4.25Å; L245-L248 WeakPolarHBondContact O-CB 3.3Å; L245-L248 PolarHBondContact O-N 2.92Å; L248-S250 PolarHBondContact O-N 3.31Å; L248-G251 PolarHBondContact O-N 3.49Å; L248-Q252 WeakPolarHBondContact CA-O 3.42Å; L248-Q252 WeakPolarHBondContact CD1-O 3.27Å; L248-M275 HydrophobicContact CB-CE 4.49Å; L248-M275 HydrophobicContact CB-SD 3.93Å; L248-M275 HydrophobicContact CD1-CB 4.19Å; L248-M275 HydrophobicContact CD1-CG 4.49Å; L248-M275 HydrophobicContact CD1-SD 3.95Å
249L88.8Confident90.9Very high64 Ų6465.5 Ų65.534%0.33536%0.356SS..Hα-helixtrans-68.1-22.6179.1-68176.6000113P232 L245 D246 V247 G251P232-L249 HydrophobicContact CB-CD2 4.02Å; P232-L249 HydrophobicContact CG-CD2 3.94Å; L245-L249 HydrophobicContact CD1-CG 4.48Å; L245-L249 HydrophobicContact CG-CD1 4.27Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 VanDerWaalsContact O-CG 3.26Å; L245-L249 WeakPolarHBondContact O-CG 3.42Å; L245-L249 PolarHBondContact O-N 3.45Å; D246-L249 PolarHBondContact O-N 2.92Å; V247-L249 PolarHBondContact O-N 2.93Å; L249-G251 PolarHBondContact O-N 3.49Å
250S86.1Confident91.9Very high75 Ų7562.6 Ų62.652%0.52434%0.335SS..THydrogen-bonded Turntrans-73.3-7.1170.881.60000113.3D246 V247 L248D246-S250 WeakPolarHBondContact O-CB 3.27Å; D246-S250 PolarHBondContact O-N 3.48Å; V247-S250 WeakPolarHBondContact O-CB 3.49Å; V247-S250 PolarHBondContact O-N 3.42Å; V247-S250 VanDerWaalsContact O-N 3.17Å; V247-S250 PolarHBondContact O-OG 2.96Å; L248-S250 PolarHBondContact O-N 3.31Å
251G86.9Confident92.2Very high50 Ų5058.6 Ų58.652%0.51532%0.321SS..THydrogen-bonded Turntrans101.74.4176.300000114.6L248 L249L248-G251 PolarHBondContact O-N 3.49Å; L249-G251 PolarHBondContact O-N 3.49Å
252Q87.6Confident92.1Very high89 Ų8958.9 Ų58.942%0.41632%0.323SS..  trans-77.7127.8172.8-64.2-60.3-27.700109.9V247 L248 Y258V247-Q252 HydrophobicContact CG1-CB 3.7Å; V247-Q252 HydrophobicContact CG1-CG 3.91Å; V247-Q252 PolarHBondContact O-N 2.92Å; L248-Q252 WeakPolarHBondContact CA-O 3.42Å; L248-Q252 WeakPolarHBondContact CD1-O 3.27Å; Q252-Y258 HydrophobicContact CB-CE1 4.04Å; Q252-Y258 HydrophobicContact CG-CE1 4.01Å
253Q91Very high91.8Very high142 Ų14257.4 Ų57.466%0.66433%0.329SS*.  trans-124-2.2-174.4-63.2-170.111.900113.9M275Q253-M275 VanDerWaalsContact O-CB 3.24Å; Q253-M275 WeakPolarHBondContact O-CB 3.45Å
254D93.8Very high91.4Very high115 Ų11563 Ų6362%0.61535%0.352SS*.SBendtrans-93.1139-177.8-63.4-46.1000110.9Y258 M275D254-Y258 WeakPolarHBondContact O-CE2 3.27Å; D254-Y258 PolarHBondContact O-OH 2.93Å; D254-M275 VanDerWaalsContact O-CG 3.26Å; D254-M275 WeakPolarHBondContact O-CG 3.23Å
255D95.3Very high91Very high55 Ų5569 Ų6929%0.29438%0.376SS..  trans-64.7138.4171.3-53.2-37.8000109.7C273 M275 R276D255-C273 WeakPolarHBondContact CA-O 3.33Å; D255-M275 PolarHBondContact OD1-N 3Å; D255-R276 WeakPolarHBondContact OD1-CG 3.31Å; D255-R276 PolarHBondContact OD1-N 3.27Å; D255-R276 WeakPolarHBondContact OD2-CD 3.43Å
256G94Very high90.5Very high16 Ų1669.3 Ų69.317%0.16538%0.383CS..EExtended strand (participates in β ladder)trans169.1-177.1-177.400000114.2Y258 Y272 C273G256-Y258 VanDerWaalsContact O-CD2 3.27Å; G256-Y258 WeakPolarHBondContact O-CD2 3.34Å; G256-Y272 CarbonylContact O-C 3.53Å; G256-Y272 WeakPolarHBondContact O-CA 3.43Å; G256-C273 PolarHBondContact N-O 2.89Å; G256-C273 PolarHBondContact O-N 3.39Å
257V96Very high90.3Very high89 Ų8971.1 Ų71.154%0.53940%0.403SS..EExtended strand (participates in β ladder)trans-89.7123.7177.2179.80000109.6Q270 V271 Y272V257-Q270 HydrophobicContact CG1-CB 3.7Å; V257-Q270 HydrophobicContact CG1-CG 4.22Å; V257-V271 CarbonylContact C-O 3.48Å; V257-V271 VanDerWaalsContact CA-O 3.27Å; V257-V271 WeakPolarHBondContact CA-O 3.4Å; V257-Y272 HydrophobicContact CG2-CD2 4.07Å
258Y94.9Very high90.3Very high43 Ų4371.7 Ų71.717%0.16941%0.409CS..EExtended strand (participates in β ladder)trans-125.6153.1179.6-64.1-92.5000111.2V247 Q252 D254 G256 Q270 V271 C273 M275V247-Y258 HydrophobicContact CG1-CD1 3.49Å; V247-Y258 VanDerWaalsContact CG1-CD1 3.49Å; V247-Y258 HydrophobicContact CG1-CD2 4.33Å; V247-Y258 HydrophobicContact CG1-CE1 3.75Å; V247-Y258 HydrophobicContact CG1-CG 3.79Å; Q252-Y258 HydrophobicContact CB-CE1 4.04Å; Q252-Y258 HydrophobicContact CG-CE1 4.01Å; D254-Y258 WeakPolarHBondContact O-CE2 3.27Å; D254-Y258 PolarHBondContact O-OH 2.93Å; G256-Y258 VanDerWaalsContact O-CD2 3.27Å; G256-Y258 WeakPolarHBondContact O-CD2 3.34Å; Y258-Q270 CarbonylContact O-C 3.57Å; Y258-Q270 WeakPolarHBondContact O-CA 3.3Å; Y258-V271 PolarHBondContact N-O 3.46Å; Y258-V271 PolarHBondContact O-N 3.42Å; Y258-C273 HydrophobicContact CD2-CB 3.54Å; Y258-C273 VanDerWaalsContact CD2-SG 3.51Å; Y258-C273 HydrophobicContact CE2-CB 3.93Å; Y258-M275 HydrophobicContact CD2-CE 4.24Å; Y258-M275 HydrophobicContact CE2-CE 3.96Å
259S94.3Very high90.5Very high58 Ų5874.5 Ų74.541%0.40642%0.42SS..EExtended strand (participates in β ladder)trans-87.5126172.8-630000111F269S259-F269 WeakPolarHBondContact CA-O 3.46Å
260V93.9Very high90.8Very high3 Ų378.2 Ų78.22%0.01844%0.436CS..EExtended strand (participates in β ladder)trans-121.2150.1178.6-63.10000110.6P241 V247 G268 F269 V271P241-V260 CarbonylContact O-C 3.59Å; P241-V260 WeakPolarHBondContact O-CA 3.43Å; V247-V260 HydrophobicContact CG2-CG1 4.38Å; V260-G268 CarbonylContact O-C 3.53Å; V260-G268 WeakPolarHBondContact O-CA 3.32Å; V260-F269 HydrophobicContact CG2-CD2 4.42Å; V260-F269 HydrophobicContact CG2-CE2 4.2Å; V260-F269 HydrophobicContact CG2-CZ 4.33Å; V260-F269 PolarHBondContact N-O 3.04Å; V260-F269 PolarHBondContact O-N 3.21Å; V260-V271 HydrophobicContact CB-CG2 4.27Å; V260-V271 HydrophobicContact CG1-CG2 3.59Å; V260-V271 HydrophobicContact CG2-CB 4.38Å; V260-V271 HydrophobicContact CG2-CG1 3.77Å; V260-V271 HydrophobicContact CG2-CG2 3.66Å
261F93.4Very high91.2Very high46 Ų4675.4 Ų75.420%0.20242%0.415CS..  trans-131.378-171.2-58.8-93.4000111R240 P241 A267R240-F261 HydrophobicContact CB-CB 4.01Å; R240-F261 HydrophobicContact CB-CD2 3.47Å; R240-F261 VanDerWaalsContact CB-CD2 3.47Å; R240-F261 HydrophobicContact CB-CE2 4.01Å; R240-F261 HydrophobicContact CB-CG 3.75Å; R240-F261 HydrophobicContact CG-CD2 4.14Å; R240-F261 HydrophobicContact CG-CE2 4.24Å; R240-F261 HydrophobicContact CG-CG 4.39Å; P241-F261 PolarHBondContact O-N 2.83Å; F261-A267 WeakPolarHBondContact CE1-O 3.34Å
262P90.6Very high91.7Very high40 Ų4077.7 Ų77.726%0.2641%0.409SS..  trans-61.8156.4179.1-24.135.7000113H264 Y265 F269P262-H264 PolarHBondContact O-N 3.32Å; P262-H264 VanDerWaalsContact O-N 3.1Å; P262-Y265 CarbonylContact O-C 3.37Å; P262-Y265 PolarHBondContact O-N 2.95Å; P262-F269 HydrophobicContact CG-CE1 3.75Å; P262-F269 HydrophobicContact CG-CZ 4.13Å
263T85.2Confident92.1Very high98 Ų9873.4 Ų73.460%0.60139%0.389SS*.THydrogen-bonded Turntrans-52.5-38.9-174.8-47.50000114R242R242-T263 PolarHBondContact NH1-OG1 3.3Å
264H84.8Confident92.3Very high179 Ų17968.2 Ų68.283%0.82937%0.365SS*.THydrogen-bonded Turntrans-94.82.2-177.2-55.5-63.4000113.2P262P262-H264 PolarHBondContact O-N 3.32Å; P262-H264 VanDerWaalsContact O-N 3.1Å
265Y85.8Confident92.3Very high128 Ų12863.3 Ų63.350%0.50234%0.339SS..  trans-13674.6-178.1-156.5-94.3000111P262 A267 G268 F269P262-Y265 CarbonylContact O-C 3.37Å; P262-Y265 PolarHBondContact O-N 2.95Å; Y265-A267 HydrophobicContact CD1-CB 4.29Å; Y265-A267 HydrophobicContact CE1-CB 3.88Å; Y265-A267 PolarHBondContact O-N 3.41Å; Y265-G268 WeakPolarHBondContact CE1-O 3.38Å; Y265-G268 PolarHBondContact O-N 2.94Å; Y265-F269 AromaticContact CD1-CD1 3.77Å; Y265-F269 HydrophobicContact CD1-CD1 3.77Å; Y265-F269 HydrophobicContact CD1-CE1 4.35Å; Y265-F269 HydrophobicContact CE1-CD1 4.1Å; Y265-F269 HydrophobicContact CG-CD1 4.49Å
266P83.3Confident92.1Very high90 Ų9069.8 Ų69.858%0.58436%0.36SS*.THydrogen-bonded Turntrans-69.7-14.6-172.229.2-36.3000113.8R240 G268R240-P266 VanDerWaalsContact CZ-O 3.3Å; R240-P266 PolarHBondContact NH1-O 3.49Å; R240-P266 PolarHBondContact NH2-O 2.97Å; P266-G268 VanDerWaalsContact C-N 3.27Å
267A88.4Confident91.9Very high72 Ų7272.3 Ų72.360%0.59537%0.372SS*.THydrogen-bonded Turntrans-69.8-27172.400000112F261 Y265F261-A267 WeakPolarHBondContact CE1-O 3.34Å; Y265-A267 HydrophobicContact CD1-CB 4.29Å; Y265-A267 HydrophobicContact CE1-CB 3.88Å; Y265-A267 PolarHBondContact O-N 3.41Å
268G91.4Very high91.5Very high15 Ų1575 Ų7516%0.15538%0.383CS..  trans67.8167.9-175.200000114.1V260 Y265 P266V260-G268 CarbonylContact O-C 3.53Å; V260-G268 WeakPolarHBondContact O-CA 3.32Å; Y265-G268 WeakPolarHBondContact CE1-O 3.38Å; Y265-G268 PolarHBondContact O-N 2.94Å; P266-G268 VanDerWaalsContact C-N 3.27Å
269F94.8Very high91Very high97 Ų9776.1 Ų76.143%0.42541%0.408SS..EExtended strand (participates in β ladder)trans-151.9167.5175.456.7-87.5000110.3S259 V260 P262 Y265 V271S259-F269 WeakPolarHBondContact CA-O 3.46Å; V260-F269 HydrophobicContact CG2-CD2 4.42Å; V260-F269 HydrophobicContact CG2-CE2 4.2Å; V260-F269 HydrophobicContact CG2-CZ 4.33Å; V260-F269 PolarHBondContact N-O 3.04Å; V260-F269 PolarHBondContact O-N 3.21Å; P262-F269 HydrophobicContact CG-CE1 3.75Å; P262-F269 HydrophobicContact CG-CZ 4.13Å; Y265-F269 AromaticContact CD1-CD1 3.77Å; Y265-F269 HydrophobicContact CD1-CD1 3.77Å; Y265-F269 HydrophobicContact CD1-CE1 4.35Å; Y265-F269 HydrophobicContact CE1-CD1 4.1Å; Y265-F269 HydrophobicContact CG-CD1 4.49Å; F269-V271 HydrophobicContact CD2-CG1 3.61Å; F269-V271 HydrophobicContact CE2-CG1 3.31Å; F269-V271 HydrophobicContact CZ-CG1 4.4Å
270Q95.3Very high90.9Very high143 Ų14373.9 Ų73.967%0.66839%0.394SS*.EExtended strand (participates in β ladder)trans-89.4135.6-179.8-71-178.598.600110.8V257 Y258V257-Q270 HydrophobicContact CG1-CB 3.7Å; V257-Q270 HydrophobicContact CG1-CG 4.22Å; Y258-Q270 CarbonylContact O-C 3.57Å; Y258-Q270 WeakPolarHBondContact O-CA 3.3Å
271V95.5Very high90.9Very high16 Ų1674.3 Ų74.310%0.09740%0.398CS..EExtended strand (participates in β ladder)trans-133.1151.5176.8-65.20000109.7V257 Y258 V260 F269 T283V257-V271 CarbonylContact C-O 3.48Å; V257-V271 VanDerWaalsContact CA-O 3.27Å; V257-V271 WeakPolarHBondContact CA-O 3.4Å; Y258-V271 PolarHBondContact N-O 3.46Å; Y258-V271 PolarHBondContact O-N 3.42Å; V260-V271 HydrophobicContact CB-CG2 4.27Å; V260-V271 HydrophobicContact CG1-CG2 3.59Å; V260-V271 HydrophobicContact CG2-CB 4.38Å; V260-V271 HydrophobicContact CG2-CG1 3.77Å; V260-V271 HydrophobicContact CG2-CG2 3.66Å; F269-V271 HydrophobicContact CD2-CG1 3.61Å; F269-V271 HydrophobicContact CE2-CG1 3.31Å; F269-V271 HydrophobicContact CZ-CG1 4.4Å; V271-T283 HydrophobicContact CB-CG2 3.89Å; V271-T283 HydrophobicContact CG1-CG2 3.97Å; V271-T283 HydrophobicContact CG2-CG2 3.93Å
272Y95.6Very high91Very high97 Ų9778.8 Ų78.838%0.3841%0.414SS..EExtended strand (participates in β ladder)trans-81.9123.7167.8-172.1-90.8000109.2G256 V257 V284G256-Y272 CarbonylContact O-C 3.53Å; G256-Y272 WeakPolarHBondContact O-CA 3.43Å; V257-Y272 HydrophobicContact CG2-CD2 4.07Å; Y272-V284 HydrophobicContact CD1-CB 4.26Å; Y272-V284 HydrophobicContact CD1-CG2 3.84Å; Y272-V284 WeakPolarHBondContact O-CB 3.42Å; Y272-V284 PolarHBondContact O-N 2.9Å
273C96.1Very high91.2Very high0 Ų079.6 Ų79.60%042%0.418CS..EExtended strand (participates in β ladder)trans-103125.9175.1-59.20000110.2C244 D255 G256 Y258 M275 W282C244-C273 VanDerWaalsContact CA-SG 3.57Å; C244-C273 HydrophobicContact CB-CB 3.57Å; C244-C273 WeakPolarHBondContact CB-SG 3.46Å; C244-C273 WeakPolarHBondContact SG-CA 3.47Å; C244-C273 WeakPolarHBondContact SG-CB 3.25Å; C244-C273 CovalentContact SG-SG 2.02Å; C244-C273 PolarHBondContact SG-SG 2.98Å; D255-C273 WeakPolarHBondContact CA-O 3.33Å; G256-C273 PolarHBondContact N-O 2.89Å; G256-C273 PolarHBondContact O-N 3.39Å; Y258-C273 HydrophobicContact CD2-CB 3.54Å; Y258-C273 VanDerWaalsContact CD2-SG 3.51Å; Y258-C273 HydrophobicContact CE2-CB 3.93Å; C273-M275 HydrophobicContact CB-CE 3.45Å; C273-M275 VanDerWaalsContact CB-CE 3.45Å; C273-M275 HydrophobicContact CB-CG 4.42Å; C273-M275 HydrophobicContact CB-SD 4.01Å; C273-W282 VanDerWaalsContact CA-O 3.29Å; C273-W282 WeakPolarHBondContact CA-O 3.27Å
274D95.4Very high91.6Very high32 Ų3277.4 Ų77.417%0.17141%0.405CS..EExtended strand (participates in β ladder)trans-94.8112.6165.8176.5-14.9000108.1R276 T277 G280 G281 W282D274-R276 PolarHBondContact OD1-N 3.04Å; D274-T277 VanDerWaalsContact CG-OG1 3.31Å; D274-T277 WeakPolarHBondContact OD1-CB 3.36Å; D274-T277 PolarHBondContact OD1-N 3.21Å; D274-T277 PolarHBondContact OD1-OG1 2.91Å; D274-T277 WeakPolarHBondContact OD2-CB 3.45Å; D274-T277 PolarHBondContact OD2-OG1 3Å; D274-G280 CarbonylContact O-C 3.59Å; D274-G281 PolarHBondContact O-N 2.81Å; D274-W282 HydrophobicContact CB-CB 4.11Å; D274-W282 PolarHBondContact N-O 3.33Å; D274-W282 PolarHBondContact O-N 3.44Å
275M93.9Very high91.8Very high12 Ų1278.3 Ų78.36%0.05941%0.407CS..SBendtrans-100.6-1.4-176.5-59.9-51.7-165.200112.5C244 V247 L248 Q253 D254 D255 Y258 C273 G280C244-M275 HydrophobicContact CB-CE 4.47Å; V247-M275 HydrophobicContact CB-CE 3.72Å; V247-M275 HydrophobicContact CG1-CE 3.39Å; L248-M275 HydrophobicContact CB-CE 4.49Å; L248-M275 HydrophobicContact CB-SD 3.93Å; L248-M275 HydrophobicContact CD1-CB 4.19Å; L248-M275 HydrophobicContact CD1-CG 4.49Å; L248-M275 HydrophobicContact CD1-SD 3.95Å; Q253-M275 VanDerWaalsContact O-CB 3.24Å; Q253-M275 WeakPolarHBondContact O-CB 3.45Å; D254-M275 VanDerWaalsContact O-CG 3.26Å; D254-M275 WeakPolarHBondContact O-CG 3.23Å; D255-M275 PolarHBondContact OD1-N 3Å; Y258-M275 HydrophobicContact CD2-CE 4.24Å; Y258-M275 HydrophobicContact CE2-CE 3.96Å; C273-M275 HydrophobicContact CB-CE 3.45Å; C273-M275 VanDerWaalsContact CB-CE 3.45Å; C273-M275 HydrophobicContact CB-CG 4.42Å; C273-M275 HydrophobicContact CB-SD 4.01Å; M275-G280 WeakPolarHBondContact O-CA 3.34Å
276R91.4Very high91.9Very high192 Ų19278 Ų7873%0.72541%0.41SS*.SBendtrans-113.9-39.6-171.5-65.3178.973.7-175.4-1.5113.2D255 D274D255-R276 WeakPolarHBondContact OD1-CG 3.31Å; D255-R276 PolarHBondContact OD1-N 3.27Å; D255-R276 WeakPolarHBondContact OD2-CD 3.43Å; D274-R276 PolarHBondContact OD1-N 3.04Å
277T90.1Very high91.8Very high68 Ų6882.5 Ų82.542%0.41742%0.415SS..G310 helixtrans-72.4133-175.7-53.90000110.8D274 G279 G280 W282D274-T277 VanDerWaalsContact CG-OG1 3.31Å; D274-T277 WeakPolarHBondContact OD1-CB 3.36Å; D274-T277 PolarHBondContact OD1-N 3.21Å; D274-T277 PolarHBondContact OD1-OG1 2.91Å; D274-T277 WeakPolarHBondContact OD2-CB 3.45Å; D274-T277 PolarHBondContact OD2-OG1 3Å; T277-G279 PolarHBondContact O-N 3.04Å; T277-G280 PolarHBondContact O-N 3.07Å; T277-W282 PolarHBondContact O-NE1 3.28Å
278D87.9Confident91.7Very high147 Ų14789.1 Ų89.179%0.78643%0.425SS*.G310 helixtrans48.635.1174.2-63.5-27000115.8W282D278-W282 HydrophobicContact CB-CZ2 4.34Å
279G84.3Confident90.5Very high66 Ų6699.2 Ų99.268%0.6847%0.468SS*.G310 helixtrans93.41.1179.400000115.2T277T277-G279 PolarHBondContact O-N 3.04Å
280G91.9Very high90.3Very high11 Ų1199.3 Ų99.311%0.11347%0.47CS..SBendtrans76.2179.7169.700000115.3D274 M275 T277D274-G280 CarbonylContact O-C 3.59Å; M275-G280 WeakPolarHBondContact O-CA 3.34Å; T277-G280 PolarHBondContact O-N 3.07Å
281G93.6Very high90.1Very high11 Ų1197 Ų9711%0.11346%0.459CS..  trans84.614179.500000113.5C244 L245 D274C244-G281 CarbonylContact C-O 3.56Å; C244-G281 WeakPolarHBondContact CB-O 3.22Å; L245-G281 PolarHBondContact N-O 3.2Å; D274-G281 PolarHBondContact O-N 2.81Å
282W96.1Very high89.8Confident140 Ų140101.5 Ų101.553%0.5348%0.48SS..EExtended strand (participates in β ladder)trans-78127.9-179.4-67.3103.5000111C273 D274 T277 D278C273-W282 VanDerWaalsContact CA-O 3.29Å; C273-W282 WeakPolarHBondContact CA-O 3.27Å; D274-W282 HydrophobicContact CB-CB 4.11Å; D274-W282 PolarHBondContact N-O 3.33Å; D274-W282 PolarHBondContact O-N 3.44Å; T277-W282 PolarHBondContact O-NE1 3.28Å; D278-W282 HydrophobicContact CB-CZ2 4.34Å
283T95.1Very high89.4Confident57 Ų57101.8 Ų101.835%0.3549%0.485SS..EExtended strand (participates in β ladder)trans-93.4112.6171.9-52.10000109.3C244 V271C244-T283 VanDerWaalsContact CB-OG1 3.31Å; C244-T283 WeakPolarHBondContact CB-OG1 3.46Å; C244-T283 PolarHBondContact N-OG1 3.14Å; C244-T283 VanDerWaalsContact SG-CA 3.57Å; C244-T283 PolarHBondContact SG-OG1 2.93Å; V271-T283 HydrophobicContact CB-CG2 3.89Å; V271-T283 HydrophobicContact CG1-CG2 3.97Å; V271-T283 HydrophobicContact CG2-CG2 3.93Å
284V92.4Very high89Confident52 Ų52108.1 Ų108.132%0.31552%0.516SS..EExtended strand (participates in β ladder)trans-82.8120.7-178.1-179.10000110.1Y272Y272-V284 HydrophobicContact CD1-CB 4.26Å; Y272-V284 HydrophobicContact CD1-CG2 3.84Å; Y272-V284 WeakPolarHBondContact O-CB 3.42Å; Y272-V284 PolarHBondContact O-N 2.9Å
285F89.4Confident88.6Confident199 Ų199113.2 Ų113.287%0.87354%0.539SS*.  trans-103.6-17.4179.964.9-87.4000113.8
286Q87.9Confident88.2Confident122 Ų122120.4 Ų120.457%0.5757%0.573SS**  trans-155.5136.3173.8-179.317491.600110
287R81.5Confident87.9Confident183 Ų183114.9 Ų114.969%0.69156%0.561SS**  trans-125.8136169-170.9-179.6-173.6-174.43.3108.6E289R287-E289 HydrophobicContact CG-CG 4.42Å; R287-E289 IonicContact CZ-OE1 3.32Å; R287-E289 IonicContact NE-OE1 3.96Å; R287-E289 IonicContact NH1-OE1 3.59Å; R287-E289 PolarHBondContact NH1-OE1 3.35Å
288R86.4Confident87.8Confident211 Ų211118.8 Ų118.880%0.79657%0.573SS**  trans-112.2126.8170-61.1-177.6-173.4-162.8-0.5106.8
289E66.5Low87.7Confident227 Ų227116.3 Ų116.3100%1.06155%0.554SS**  trans-105.20173.9-63-173.3168.600109.6R287R287-E289 HydrophobicContact CG-CG 4.42Å; R287-E289 IonicContact CZ-OE1 3.32Å; R287-E289 IonicContact NE-OE1 3.96Å; R287-E289 IonicContact NH1-OE1 3.59Å; R287-E289 PolarHBondContact NH1-OE1 3.35Å

Retrieved 289 of 289 residues in 49.1 ms (Link to these results)