A0A096MYP6_PAPAN Loading...

Mothers against decapentaplegic homolog

AlphaFold DB (I0FRQ6), UniProt , Accession A0A096MYP6, Species PAPAN (Papio anubis, Olive baboon), Gene SMAD7, Length 426 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
1M51.9Low84.1Confident235 Ų23599.9 Ų99.9100%1.15847%0.471SS*.  0107.40-154.7-178.5-149.100108.3R3M1-R3 PolarHBondContact O-N 3.36Å
2F51.5Low85.1Confident209 Ų209100.3 Ų100.392%0.91747%0.465SS*.PPolyproline II helixtrans-66.1129.7179.4-71.4-85.1000109.9T4F2-T4 PolarHBondContact O-N 3.14Å
3R74.8Confident85.9Confident192 Ų19292.5 Ų92.573%0.72543%0.429SS*.PPolyproline II helixtrans-74.3124.7178.8-76.9168.7163.2177.41.4109.2M1M1-R3 PolarHBondContact O-N 3.36Å
4T89.4Confident86.4Confident88 Ų8889.4 Ų89.454%0.5441%0.411SS..PPolyproline II helixtrans-68148175.2630000110.7F2 R6 S7 A8F2-T4 PolarHBondContact O-N 3.14Å; T4-R6 VanDerWaalsContact C-N 3.28Å; T4-R6 PolarHBondContact O-N 3.24Å; T4-S7 PolarHBondContact N-OG 3.24Å; T4-S7 WeakPolarHBondContact O-CB 3Å; T4-S7 PolarHBondContact O-N 2.86Å; T4-S7 PolarHBondContact O-OG 3.45Å; T4-S7 WeakPolarHBondContact OG1-CB 3.42Å; T4-S7 PolarHBondContact OG1-N 2.99Å; T4-S7 PolarHBondContact OG1-OG 2.76Å; T4-A8 PolarHBondContact O-N 3.31Å
5K92.8Very high86.9Confident114 Ų11494.4 Ų94.450%0.49643%0.425SS..Hα-helixtrans-50.9-47.8176.4-177.6-179.7174.4-167.60111.6S7 A8 L9 E109K5-S7 PolarHBondContact O-N 3.11Å; K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 2.94Å; K5-L9 PolarHBondContact O-N 3.35Å; K5-L9 VanDerWaalsContact O-N 3.08Å; K5-E109 WeakPolarHBondContact CE-OE1 3.31Å; K5-E109 IonicContact NZ-OE1 2.66Å; K5-E109 PolarHBondContact NZ-OE1 3.35Å
6R93.9Very high87.3Confident65 Ų6590.8 Ų90.825%0.24542%0.415CS..Hα-helixtrans-49-50.4171.1-176177.6-169.271.92.7114.1T4 A8 L9 V10 L100 K101 L103 E105 L108T4-R6 VanDerWaalsContact C-N 3.28Å; T4-R6 PolarHBondContact O-N 3.24Å; R6-A8 PolarHBondContact O-N 3.38Å; R6-L9 PolarHBondContact O-N 3.43Å; R6-V10 PolarHBondContact O-N 3.2Å; R6-V10 VanDerWaalsContact O-N 3.09Å; R6-L100 PolarHBondContact NH2-O 3.11Å; R6-K101 PolarHBondContact NH2-O 3.2Å; R6-L103 PolarHBondContact NH1-O 3.45Å; R6-L103 PolarHBondContact NH2-O 3.27Å; R6-E105 HydrophobicContact CB-CG 4.47Å; R6-E105 PolarHBondContact N-OE1 2.83Å; R6-L108 HydrophobicContact CG-CD1 4.07Å; R6-L108 VanDerWaalsContact NH1-CD1 3.33Å
7S92.4Very high87.6Confident39 Ų3990.8 Ų90.827%0.27341%0.41SS..Hα-helixtrans-63.6-27.6-179.476.40000112.7T4 K5 R11T4-S7 PolarHBondContact N-OG 3.24Å; T4-S7 WeakPolarHBondContact O-CB 3Å; T4-S7 PolarHBondContact O-N 2.86Å; T4-S7 PolarHBondContact O-OG 3.45Å; T4-S7 WeakPolarHBondContact OG1-CB 3.42Å; T4-S7 PolarHBondContact OG1-N 2.99Å; T4-S7 PolarHBondContact OG1-OG 2.76Å; K5-S7 PolarHBondContact O-N 3.11Å; S7-R11 WeakPolarHBondContact O-CG 3.46Å; S7-R11 PolarHBondContact O-N 2.64Å; S7-R11 PolarHBondContact O-NE 3.42Å
8A94.3Very high87.7Confident34 Ų3486.6 Ų86.628%0.28140%0.395SS..Hα-helixtrans-74.2-43.1174.500000112.1T4 K5 R6 R11 R12T4-A8 PolarHBondContact O-N 3.31Å; K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 2.94Å; R6-A8 PolarHBondContact O-N 3.38Å; A8-R11 PolarHBondContact O-N 2.89Å; A8-R12 WeakPolarHBondContact O-CG 3.36Å; A8-R12 PolarHBondContact O-N 3.49Å
9L96.1Very high87.2Confident14 Ų1487.8 Ų87.87%0.07341%0.411CS..Hα-helixtrans-60.4-49.7177.2-67.3172.1000111.9K5 R6 R11 R12 L13 L108 E109 L112K5-L9 PolarHBondContact O-N 3.35Å; K5-L9 VanDerWaalsContact O-N 3.08Å; R6-L9 PolarHBondContact O-N 3.43Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 2.96Å; L9-R12 PolarHBondContact O-N 3.49Å; L9-R12 VanDerWaalsContact O-N 3.16Å; L9-L13 PolarHBondContact O-N 3.17Å; L9-L108 HydrophobicContact CB-CB 4.2Å; L9-L108 HydrophobicContact CD1-CB 3.94Å; L9-E109 HydrophobicContact CD1-CG 3.9Å; L9-E109 HydrophobicContact CD2-CG 4.16Å; L9-L112 HydrophobicContact CD2-CD2 3.56Å
10V94.8Very high85.7Confident28 Ų2884.9 Ų84.917%0.1741%0.406CS..Hα-helixtrans-61.1-41.9180175.10000111.5R6 R12 L13 W14 L100 L108R6-V10 PolarHBondContact O-N 3.2Å; R6-V10 VanDerWaalsContact O-N 3.09Å; V10-R12 PolarHBondContact O-N 3.3Å; V10-L13 PolarHBondContact O-N 3.37Å; V10-W14 WeakPolarHBondContact O-CB 3.21Å; V10-W14 PolarHBondContact O-N 3.07Å; V10-L100 HydrophobicContact CG1-CD1 4.21Å; V10-L108 HydrophobicContact CG2-CD1 4.08Å; V10-L108 HydrophobicContact CG2-CD2 4.29Å
11R93.5Very high83.9Confident81 Ų8185.1 Ų85.131%0.30643%0.431SS..Hα-helixtrans-65-37.4176.3-77.7-177.2-65.1122.81.1112.9S7 A8 L9 R15S7-R11 WeakPolarHBondContact O-CG 3.46Å; S7-R11 PolarHBondContact O-N 2.64Å; S7-R11 PolarHBondContact O-NE 3.42Å; A8-R11 PolarHBondContact O-N 2.89Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 2.96Å; R11-R15 WeakPolarHBondContact O-CG 3.3Å; R11-R15 PolarHBondContact O-N 3.28Å; R11-R15 PolarHBondContact O-NH1 2.82Å
12R95.6Very high83.3Confident104 Ų10482.1 Ų82.139%0.39241%0.414SS..Hα-helixtrans-65.8-48.4175.4-76.6177.266.4-1760.8110.9A8 L9 V10 W14 R15 S16 L112 E116A8-R12 WeakPolarHBondContact O-CG 3.36Å; A8-R12 PolarHBondContact O-N 3.49Å; L9-R12 PolarHBondContact O-N 3.49Å; L9-R12 VanDerWaalsContact O-N 3.16Å; V10-R12 PolarHBondContact O-N 3.3Å; R12-W14 VanDerWaalsContact C-N 3.26Å; R12-W14 PolarHBondContact O-N 2.56Å; R12-R15 VanDerWaalsContact CG-NH2 3.26Å; R12-R15 PolarHBondContact O-N 3.4Å; R12-R15 VanDerWaalsContact O-N 3.08Å; R12-S16 PolarHBondContact O-N 3.17Å; R12-S16 VanDerWaalsContact O-N 3.15Å; R12-S16 PolarHBondContact O-OG 2.81Å; R12-L112 HydrophobicContact CB-CD1 3.72Å; R12-L112 HydrophobicContact CB-CD2 4Å; R12-E116 IonicContact CZ-OE1 3.72Å; R12-E116 IonicContact CZ-OE2 3.11Å; R12-E116 IonicContact NE-OE1 3.46Å; R12-E116 PolarHBondContact NE-OE1 3.07Å; R12-E116 VanDerWaalsContact NE-OE1 3.11Å; R12-E116 IonicContact NH2-OE1 2.69Å; R12-E116 PolarHBondContact NH2-OE1 3.3Å; R12-E116 IonicContact NH2-OE2 3.34Å; R12-E116 PolarHBondContact NH2-OE2 3.42Å
13L95.9Very high82.6Confident0 Ų077.5 Ų77.50%040%0.399CS..Hα-helixtrans-51.7-48.1173.9-78.9167.6000111L9 V10 R15 S16 R17 L100 L108 L111 L112 V115 F163L9-L13 PolarHBondContact O-N 3.17Å; V10-L13 PolarHBondContact O-N 3.37Å; L13-R15 VanDerWaalsContact C-N 3.27Å; L13-R15 PolarHBondContact O-N 3.2Å; L13-S16 CarbonylContact O-C 3.53Å; L13-S16 PolarHBondContact O-N 3.04Å; L13-R17 PolarHBondContact O-N 2.96Å; L13-L100 HydrophobicContact CD1-CD2 4.01Å; L13-L108 HydrophobicContact CD1-CD2 3.73Å; L13-L111 HydrophobicContact CD1-CD2 4.13Å; L13-L111 HydrophobicContact CD1-CG 4.49Å; L13-L111 HydrophobicContact CD2-CB 4.3Å; L13-L111 HydrophobicContact CD2-CD2 4.07Å; L13-L111 HydrophobicContact CD2-CG 3.74Å; L13-L112 HydrophobicContact CD2-CB 3.92Å; L13-L112 HydrophobicContact CD2-CD1 3.91Å; L13-L112 HydrophobicContact CG-CB 4.12Å; L13-L112 HydrophobicContact CG-CD1 3.9Å; L13-V115 HydrophobicContact CD2-CG2 4.38Å; L13-F163 HydrophobicContact CB-CE1 4.33Å; L13-F163 HydrophobicContact CB-CZ 4.34Å; L13-F163 HydrophobicContact CD2-CE1 4.27Å; L13-F163 HydrophobicContact CD2-CZ 4.16Å; L13-F163 WeakPolarHBondContact O-CE1 3.07Å
14W93.1Very high81Confident49 Ų4977.2 Ų77.219%0.18641%0.405CS..Hα-helixtrans-64.2-28.6-178.3-158.5-111.4000114.9V10 R12 S16 R17 K93 T96 H97 V162V10-W14 WeakPolarHBondContact O-CB 3.21Å; V10-W14 PolarHBondContact O-N 3.07Å; R12-W14 VanDerWaalsContact C-N 3.26Å; R12-W14 PolarHBondContact O-N 2.56Å; W14-S16 VanDerWaalsContact C-N 3.34Å; W14-R17 WeakPolarHBondContact O-CG 3.33Å; W14-R17 PolarHBondContact O-NH1 3.44Å; W14-R17 VanDerWaalsContact O-NH1 3.1Å; W14-K93 HydrophobicContact CH2-CB 3.92Å; W14-K93 HydrophobicContact CH2-CG 3.73Å; W14-K93 HydrophobicContact CZ2-CB 4.07Å; W14-K93 HydrophobicContact CZ2-CD 4.2Å; W14-K93 HydrophobicContact CZ2-CG 3.67Å; W14-T96 HydrophobicContact CZ3-CG2 3.85Å; W14-H97 AromaticContact CE2-NE2 3.86Å; W14-H97 AromaticContact CH2-NE2 4Å; W14-H97 AromaticContact CZ2-NE2 3.85Å; W14-V162 HydrophobicContact CZ3-CG1 4.49Å
15R93.1Very high78.5Confident164 Ų16482 Ų8262%0.61942%0.422SS*.Hα-helixtrans-76.9-22.7172.9-73.6-168.8-62.9-87.64.5112.8R11 R12 L13 R17R11-R15 WeakPolarHBondContact O-CG 3.3Å; R11-R15 PolarHBondContact O-N 3.28Å; R11-R15 PolarHBondContact O-NH1 2.82Å; R12-R15 VanDerWaalsContact CG-NH2 3.26Å; R12-R15 PolarHBondContact O-N 3.4Å; R12-R15 VanDerWaalsContact O-N 3.08Å; L13-R15 VanDerWaalsContact C-N 3.27Å; L13-R15 PolarHBondContact O-N 3.2Å; R15-R17 VanDerWaalsContact C-N 3.35Å
16S93.3Very high75.6Confident37 Ų3786.2 Ų86.226%0.25944%0.443SS..THydrogen-bonded Turntrans-94.112.8-179.9-51.80000113.4R12 L13 W14 V115R12-S16 PolarHBondContact O-N 3.17Å; R12-S16 VanDerWaalsContact O-N 3.15Å; R12-S16 PolarHBondContact O-OG 2.81Å; L13-S16 CarbonylContact O-C 3.53Å; L13-S16 PolarHBondContact O-N 3.04Å; W14-S16 VanDerWaalsContact C-N 3.34Å; S16-V115 VanDerWaalsContact CB-CG1 3.49Å; S16-V115 WeakPolarHBondContact O-CG1 3.41Å
17R93.1Very high72.6Confident90 Ų9087 Ų8734%0.3447%0.472SS..SBendtrans-63.9154173.372.2-177.6-172.1-96.40.9111L13 W14 R15 V162L13-R17 PolarHBondContact O-N 2.96Å; W14-R17 WeakPolarHBondContact O-CG 3.33Å; W14-R17 PolarHBondContact O-NH1 3.44Å; W14-R17 VanDerWaalsContact O-NH1 3.1Å; R15-R17 VanDerWaalsContact C-N 3.35Å; R17-V162 HydrophobicContact CB-CG1 4.17Å
18A88.8Confident69.6Low15 Ų1590 Ų9012%0.12450%0.499CS..PPolyproline II helixtrans-65.3139.3172.800000109.7G20 V162 P166A18-G20 PolarHBondContact O-N 2.79Å; A18-V162 PolarHBondContact N-O 2.89Å; A18-P166 HydrophobicContact CB-CG 3.73Å
19P78.1Confident66.6Low110 Ų11092.6 Ų92.671%0.71453%0.529SS*.PPolyproline II helixtrans-61.7128.2175.923.9-30.5000109.5
20G57Low63.3Low29 Ų2995.7 Ų95.730%0.29956%0.564SS.*PPolyproline II helixtrans-71.7146.9171.900000109.4A18 E22 D23A18-G20 PolarHBondContact O-N 2.79Å; G20-E22 PolarHBondContact O-N 3.14Å; G20-D23 PolarHBondContact O-N 3.03Å
21G48.3Very low60.1Low90 Ų9098.2 Ų98.293%0.92860%0.596SS**THydrogen-bonded Turntrans-65.319.1-174.400000116.6
22E39.7Very low56.9Low173 Ų17398.5 Ų98.581%0.80862%0.624SS**THydrogen-bonded Turntrans-138.24.1-178.7-63.1-177.8157.600113.1G20 E24G20-E22 PolarHBondContact O-N 3.14Å; E22-E24 VanDerWaalsContact C-N 3.26Å; E22-E24 PolarHBondContact O-N 3.34Å
23D37.1Very low53.6Low111 Ų11197.2 Ų97.259%0.59464%0.643SS**  trans-88.741.6176.5-74-29.9000112.5G20G20-D23 PolarHBondContact O-N 3.03Å
24E40.7Very low50.4Low186 Ų186101 Ų10187%0.86968%0.683SS**  trans-123.176.9165.8-79.9-167.9164.400110.3E22E22-E24 VanDerWaalsContact C-N 3.26Å; E22-E24 PolarHBondContact O-N 3.34Å
25E37.1Very low47.2Very low190 Ų190102.5 Ų102.589%0.88871%0.713SS**  trans163.5102.8141.1-97.7-171.1149.700109.5
26E32.7Very low44.2Very low201 Ų201103.8 Ų103.894%0.93973%0.726SS**  -171.9118.1125.1-103.3-175.5178.300108.3
27G30.4Very low41.3Very low83 Ų83110.3 Ų110.386%0.85676%0.757SS**  trans-80.6166.4-163.800000115.6
28A30.1Very low38.1Very low102 Ų102118 Ų11884%0.84379%0.786SS**  trans-137.3108.7145.700000107.7
29G29.7Very low35.2Very low88 Ų88120.9 Ų120.991%0.90782%0.817SS**  trans-62.5141.8164.200000110.3
30G27.3Very low32.8Very low78 Ų78125.3 Ų125.380%0.80483%0.828SS**  trans-169.490.4173.500000108.1
31G26.8Very low31.3Very low82 Ų82127.6 Ų127.685%0.84585%0.851SS**  trans-74.2164.7176.700000113.3
32G26Very low30.3Very low87 Ų87127.5 Ų127.590%0.89784%0.842SS**  trans89.6125.8163.700000114.3
33G26.9Very low29.8Very low77 Ų77125.4 Ų125.479%0.79484%0.841SS**  cis-164.7143.86.700000110.4
34G28.8Very low29.3Very low80 Ų80127 Ų12783%0.82585%0.85SS**  trans-73.9124.8164.700000108.9E36G34-E36 PolarHBondContact O-N 3.15Å
35G26.5Very low28.7Very low79 Ų79122.6 Ų122.681%0.81484%0.839SS**  trans-77.4105166.100000109
36E30.5Very low28.2Very low191 Ų191125 Ų12589%0.89384%0.84SS**PPolyproline II helixtrans-104139.2159.9-81.2-174.1117.400109.7G34G34-E36 PolarHBondContact O-N 3.15Å
37L30.6Very low27.9Very low175 Ų175119.1 Ų119.192%0.91683%0.826SS**PPolyproline II helixtrans-64.4139.9-173.2-74.7107.3000112
38R26.6Very low27.8Very low252 Ų252124.5 Ų124.595%0.95183%0.829SS**PPolyproline II helixtrans-60.7129.2170.8-74.2176.1159.1-150.6-4.5111.3
39G27.9Very low27.6Very low75 Ų75122.9 Ų122.977%0.77382%0.822SS**  trans-133.6117.2154.500000108.6
40E28.3Very low27.4Very low203 Ų203124 Ų12495%0.94982%0.823SS**  trans-55.8147.9169.2-59.3170.2111.800109.3
41G25.5Very low27.3Very low76 Ų76124.4 Ų124.478%0.78483%0.827SS**  cis126.2110.127.900000107.5
42A28.2Very low27.2Very low89 Ų89124.3 Ų124.374%0.73683%0.826SS**  trans167.1104.8158.700000110.5
43T27.6Very low27.1Very low129 Ų129124.2 Ų124.279%0.79183%0.825SS**  54.5113.3108.264.70000115.8
44D27.8Very low27.1Very low145 Ų145124.2 Ų124.278%0.77583%0.825SS**  176.6137.694.5-127.4-25.7000114.3
45S27.4Very low27.5Very low92 Ų92127 Ų12764%0.64383%0.829SS**  trans43.5123.3136.6-630000125.8
46R26.6Very low27.4Very low240 Ų240126.8 Ų126.891%0.90683%0.826SS**  81.8120.4126.6-86.3179.8169.5170-2.3123.4
47A27.4Very low27.4Very low79 Ų79129.4 Ų129.465%0.65383%0.828SS**  94.9125.8117.700000122.3
48H27.8Very low27.2Very low195 Ų195126 Ų12690%0.90383%0.825SS**  trans46.3141.5142.3-61.4-68000120.1
49G25.2Very low27.1Very low69 Ų69117.1 Ų117.171%0.71181%0.812SS**  cis168.9155.56.300000110.2
50A25.8Very low27Very low111 Ų111119.2 Ų119.292%0.91781%0.813SS**  trans50.9130.8149.900000124.6
51G24.7Very low26.8Very low86 Ų86114.6 Ų114.689%0.88780%0.802SS**  trans92.5132.4141.300000116.2
52G24.4Very low27Very low81 Ų81119.5 Ų119.584%0.83581%0.81SS**  cis170164.35.500000108.8
53G25.7Very low26.8Very low85 Ų85119.1 Ų119.188%0.87681%0.814SS**  trans105.8104.7161.400000117
54G25.1Very low26.7Very low77 Ų77122.7 Ų122.779%0.79482%0.819SS**  trans-79.3-148.1171.500000113.5
55P37.5Very low26.5Very low139 Ų139120.3 Ų120.390%0.90382%0.819SS**  cis-128.2170.9-10.338.9-22.9000112.9
56G25.2Very low26.5Very low73 Ų73122.9 Ų122.975%0.75383%0.83SS**  trans161.7110.8157.600000117.4
57R29.9Very low26.5Very low246 Ų246123.2 Ų123.293%0.92883%0.832SS**  trans79.987.8158.3-70.3-176.5155.6-161.2-6.4118.9
58A27.3Very low26.3Very low104 Ų104123.2 Ų123.286%0.8684%0.839SS**  trans1.1116.3131.200000117
59G24.3Very low26.2Very low65 Ų65118.1 Ų118.167%0.6783%0.831SS**  trans-79165.3138.200000110.6
60C25.3Very low26.3Very low119 Ų119125.2 Ų125.280%0.80484%0.842SS**  trans164.6103.3156.7-920000107.9
61C25.2Very low26.2Very low106 Ų106123 Ų12372%0.71683%0.83SS**  78.4115.997.766.70000114
62L28.8Very low26.4Very low180 Ų180128.1 Ų128.194%0.94283%0.831SS**  48.592.998.7-90.8155.2000112.7
63G25Very low26.5Very low80 Ų80133.4 Ų133.483%0.82583%0.833SS**  trans-119.3110.5172.300000111
64K25.1Very low26.7Very low205 Ų205137.6 Ų137.689%0.89183%0.83SS**  trans-68.6157.5177.6-90.2170.2168172.90113.4
65A24Very low27.1Very low94 Ų94139.8 Ų139.878%0.77783%0.83SS**  trans-20.1140.1156.300000118.1
66V26.9Very low26.6Very low146 Ų146142 Ų14289%0.88583%0.828SS**  trans-117.2132.1159.5172.70000108.5
67R25.2Very low26.9Very low248 Ų248143.5 Ų143.594%0.93682%0.824SS**  trans-107.1144.6174.5-84.7-173.7176.3-164.2-0.1110.9
68G23.9Very low26.9Very low78 Ų78137.6 Ų137.680%0.80482%0.818SS**  trans118133.9154.200000113.8
69A25.8Very low27.4Very low89 Ų89138.1 Ų138.174%0.73682%0.822SS**  cis-169.3159.2-0.200000110.7
70K27Very low28.1Very low217 Ų217139.8 Ų139.894%0.94383%0.829SS**  trans64.8130.6161.1-59.6179.8179.3-178.60117.3
71G24Very low28.6Very low65 Ų65136.6 Ų136.667%0.6782%0.817SS**  cis164128.3-1.100000107.6
72H27.9Very low29.2Very low194 Ų194136 Ų13690%0.89882%0.82SS**  trans-156.4125.7158.4-94-65.1000108.6
73H27.8Very low29.5Very low192 Ų192130.6 Ų130.689%0.88981%0.807SS**  trans-71.1121.6-178.5-81.5-50.1000111.6
74H29.7Very low30.6Very low172 Ų172130.4 Ų130.480%0.79680%0.798SS**  trans-129.7142.2154.5-82.2-69.7000108.8
75P32.7Very low31.9Very low123 Ų123123.4 Ų123.480%0.79978%0.778SS**PPolyproline II helixtrans-73.2132.8-170.128.7-32.2000111.6
76H27.3Very low33.7Very low185 Ų185120.9 Ų120.986%0.85676%0.762SS**PPolyproline II helixtrans-65.3138.2169.3-96.6-89.7000110.9
77P31.6Very low35.8Very low106 Ų106115.4 Ų115.469%0.68874%0.735SS**PPolyproline II helixtrans-75.1152.1158.532.5-29.9000109.5
78P31.4Very low38.2Very low122 Ų122106.6 Ų106.679%0.79272%0.715SS**PPolyproline II helixtrans-68.8141.1-177.128.2-32.3000111.1A80P78-A80 PolarHBondContact O-N 3.07Å
79A36.8Very low40.9Very low115 Ų115107 Ų10795%0.9570%0.696SS**  trans-65.894.1171.900000110.4
80A38.8Very low43.7Very low99 Ų99105.2 Ų105.282%0.81868%0.681SS**  trans-113.4102.8162.300000107.1P78P78-A80 PolarHBondContact O-N 3.07Å
81G36.9Very low46.4Very low53 Ų5398.9 Ų98.955%0.54666%0.658SS.*  trans-165.6-32.3-177.300000117.7
82A36.2Very low49.4Very low93 Ų9397.2 Ų97.277%0.76963%0.633SS**Hα-helixtrans-84.5-37.9-175.700000113.5
83G35.5Very low52.2Low66 Ų6691.3 Ų91.368%0.6861%0.605SS**Hα-helixtrans-75.6-27.9-177.200000114.9G87G83-G87 PolarHBondContact O-N 3.26Å
84A47.5Very low55.1Low77 Ų7784.3 Ų84.364%0.63658%0.581SS**Hα-helixtrans-78.7-35.3-176.400000112.9G87 A88A84-G87 PolarHBondContact O-N 3.11Å; A84-A88 PolarHBondContact O-N 3.15Å; A84-A88 VanDerWaalsContact O-N 3.13Å
85A54.1Low57.9Low57 Ų5777.1 Ų77.147%0.47155%0.548SS..Hα-helixtrans-67.3-45.1177.400000111.7G87 A88 E89A85-G87 VanDerWaalsContact C-N 3.32Å; A85-G87 PolarHBondContact O-N 2.89Å; A85-A88 PolarHBondContact O-N 2.68Å; A85-E89 PolarHBondContact O-N 2.77Å
86G61.2Low60.7Low42 Ų4271.2 Ų71.243%0.43351%0.51SS..Hα-helixtrans-64.1-33.7175.300000113.6A90G86-A90 WeakPolarHBondContact O-CB 3.37Å; G86-A90 PolarHBondContact O-N 3.23Å; G86-A90 VanDerWaalsContact O-N 3.15Å
87G70.3Confident63.8Low31 Ų3166.3 Ų66.332%0.3249%0.487SS..Hα-helixtrans-65.3-47.4174.100000112.9G83 A84 A85 E89 A90 D91G83-G87 PolarHBondContact O-N 3.26Å; A84-G87 PolarHBondContact O-N 3.11Å; A85-G87 VanDerWaalsContact C-N 3.32Å; A85-G87 PolarHBondContact O-N 2.89Å; G87-E89 VanDerWaalsContact C-N 3.31Å; G87-E89 PolarHBondContact O-N 3.15Å; G87-A90 PolarHBondContact O-N 3.16Å; G87-D91 PolarHBondContact O-N 2.94Å
88A76.2Confident66.6Low63 Ų6363.4 Ų63.452%0.52147%0.469SS..Hα-helixtrans-62.8-36.5179.900000112.8A84 A85 L92A84-A88 PolarHBondContact O-N 3.15Å; A84-A88 VanDerWaalsContact O-N 3.13Å; A85-A88 PolarHBondContact O-N 2.68Å; A88-L92 WeakPolarHBondContact O-CB 3.25Å; A88-L92 PolarHBondContact O-N 2.87Å
89E81Confident69.4Low86 Ų8657.6 Ų57.640%0.40243%0.431SS..Hα-helixtrans-70-41.9176.2-160.1-161156.100111.9A85 G87 D91 L92 K93A85-E89 PolarHBondContact O-N 2.77Å; G87-E89 VanDerWaalsContact C-N 3.31Å; G87-E89 PolarHBondContact O-N 3.15Å; E89-D91 VanDerWaalsContact C-N 3.31Å; E89-D91 PolarHBondContact O-N 3.35Å; E89-L92 PolarHBondContact O-N 2.99Å; E89-K93 VanDerWaalsContact O-CG 3.24Å; E89-K93 WeakPolarHBondContact O-CG 3.43Å; E89-K93 PolarHBondContact O-N 2.89Å; E89-K93 WeakPolarHBondContact OE1-CE 3.5Å; E89-K93 IonicContact OE1-NZ 2.63Å; E89-K93 PolarHBondContact OE1-NZ 3.04Å; E89-K93 IonicContact OE2-NZ 3.89Å
90A83.3Confident72.1Confident52 Ų5252.1 Ų52.143%0.4339%0.386SS..Hα-helixtrans-60.9-41.3175.500000111.8G86 G87 K93 A94G86-A90 WeakPolarHBondContact O-CB 3.37Å; G86-A90 PolarHBondContact O-N 3.23Å; G86-A90 VanDerWaalsContact O-N 3.15Å; G87-A90 PolarHBondContact O-N 3.16Å; A90-K93 PolarHBondContact O-N 3.43Å; A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 2.91Å
91D84.6Confident74.6Confident84 Ų8455.4 Ų55.445%0.44938%0.382SS..Hα-helixtrans-64.4-43.8176-72-21.7000111.9G87 E89 K93 A94 L95G87-D91 PolarHBondContact O-N 2.94Å; E89-D91 VanDerWaalsContact C-N 3.31Å; E89-D91 PolarHBondContact O-N 3.35Å; D91-K93 VanDerWaalsContact C-N 3.29Å; D91-K93 PolarHBondContact O-N 3.31Å; D91-A94 PolarHBondContact O-N 2.82Å; D91-L95 VanDerWaalsContact O-CB 3.23Å; D91-L95 WeakPolarHBondContact O-CB 3.29Å; D91-L95 PolarHBondContact O-N 2.94Å
92L85.9Confident77.1Confident29 Ų2957.8 Ų57.815%0.15238%0.377CS..Hα-helixtrans-59.6-42.2174.9-173.270.1000111.1A88 E89 T96 Y153 L158 K161 V162A88-L92 WeakPolarHBondContact O-CB 3.25Å; A88-L92 PolarHBondContact O-N 2.87Å; E89-L92 PolarHBondContact O-N 2.99Å; L92-T96 WeakPolarHBondContact O-CB 3.26Å; L92-T96 PolarHBondContact O-N 2.9Å; L92-T96 PolarHBondContact O-OG1 3.28Å; L92-Y153 HydrophobicContact CD1-CD2 4.37Å; L92-Y153 HydrophobicContact CD1-CE2 4.14Å; L92-L158 HydrophobicContact CD1-CD1 3.4Å; L92-L158 HydrophobicContact CG-CD1 4.44Å; L92-K161 HydrophobicContact CD1-CD 4.08Å; L92-K161 HydrophobicContact CD2-CD 4.14Å; L92-K161 HydrophobicContact CD2-CG 4.25Å; L92-V162 HydrophobicContact CD1-CG2 4.5Å; L92-V162 HydrophobicContact CD2-CG2 4.41Å; L92-V162 HydrophobicContact CG-CG2 4.28Å
93K87.6Confident79.9Confident70 Ų7053.7 Ų53.730%0.30434%0.342SS..Hα-helixtrans-63.6-48.7177-69.4172164.7157.60111.2W14 E89 A90 D91 L95 T96 H97W14-K93 HydrophobicContact CH2-CB 3.92Å; W14-K93 HydrophobicContact CH2-CG 3.73Å; W14-K93 HydrophobicContact CZ2-CB 4.07Å; W14-K93 HydrophobicContact CZ2-CD 4.2Å; W14-K93 HydrophobicContact CZ2-CG 3.67Å; E89-K93 VanDerWaalsContact O-CG 3.24Å; E89-K93 WeakPolarHBondContact O-CG 3.43Å; E89-K93 PolarHBondContact O-N 2.89Å; E89-K93 WeakPolarHBondContact OE1-CE 3.5Å; E89-K93 IonicContact OE1-NZ 2.63Å; E89-K93 PolarHBondContact OE1-NZ 3.04Å; E89-K93 IonicContact OE2-NZ 3.89Å; A90-K93 PolarHBondContact O-N 3.43Å; D91-K93 VanDerWaalsContact C-N 3.29Å; D91-K93 PolarHBondContact O-N 3.31Å; K93-L95 PolarHBondContact O-N 3.12Å; K93-T96 PolarHBondContact O-N 3.1Å; K93-H97 PolarHBondContact O-CD2 3.5Å; K93-H97 PolarHBondContact O-N 2.74Å
94A89.1Confident82.7Confident46 Ų4658 Ų5838%0.3834%0.342SS..Hα-helixtrans-61.1-45.3178.800000112.2A90 D91 T96 H97 S98 L136A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 2.91Å; D91-A94 PolarHBondContact O-N 2.82Å; A94-T96 PolarHBondContact O-N 3.2Å; A94-H97 PolarHBondContact O-N 3.26Å; A94-S98 PolarHBondContact O-N 3.43Å; A94-L136 HydrophobicContact CB-CD2 4.21Å
95L88.9Confident85Confident20 Ų2058 Ų5811%0.10533%0.329CS..Hα-helixtrans-58.8-47.3176178.658.5000111.4D91 K93 H97 S98 V99 C134 Y153 L158D91-L95 VanDerWaalsContact O-CB 3.23Å; D91-L95 WeakPolarHBondContact O-CB 3.29Å; D91-L95 PolarHBondContact O-N 2.94Å; K93-L95 PolarHBondContact O-N 3.12Å; L95-H97 PolarHBondContact O-N 3Å; L95-S98 WeakPolarHBondContact O-CB 3.2Å; L95-S98 PolarHBondContact O-N 3.31Å; L95-V99 WeakPolarHBondContact O-CG2 3.46Å; L95-V99 PolarHBondContact O-N 3.24Å; L95-C134 HydrophobicContact CD1-CB 3.24Å; L95-Y153 HydrophobicContact CD2-CD2 4.02Å; L95-L158 HydrophobicContact CD2-CD1 3.8Å; L95-L158 HydrophobicContact CD2-CD2 4.01Å; L95-L158 HydrophobicContact CD2-CG 4.49Å; L95-L158 HydrophobicContact CG-CD1 4.1Å; L95-L158 HydrophobicContact CG-CD2 3.75Å
96T91.1Very high87Confident0 Ų062.7 Ų62.70%033%0.334CS..Hα-helixtrans-62.1-44178.2-530000111.8W14 L92 K93 A94 S98 V99 L100 V162W14-T96 HydrophobicContact CZ3-CG2 3.85Å; L92-T96 WeakPolarHBondContact O-CB 3.26Å; L92-T96 PolarHBondContact O-N 2.9Å; L92-T96 PolarHBondContact O-OG1 3.28Å; K93-T96 PolarHBondContact O-N 3.1Å; A94-T96 PolarHBondContact O-N 3.2Å; T96-S98 VanDerWaalsContact C-N 3.33Å; T96-S98 PolarHBondContact O-N 3.35Å; T96-V99 WeakPolarHBondContact O-CB 3.5Å; T96-V99 PolarHBondContact O-N 3.43Å; T96-L100 HydrophobicContact CG2-CD1 4.23Å; T96-L100 HydrophobicContact CG2-CG 4.32Å; T96-L100 WeakPolarHBondContact O-CG 3.19Å; T96-L100 PolarHBondContact O-N 3.46Å; T96-V162 HydrophobicContact CG2-CG1 4.23Å; T96-V162 HydrophobicContact CG2-CG2 4.12Å; T96-V162 VanDerWaalsContact OG1-CG2 3.29Å; T96-V162 WeakPolarHBondContact OG1-CG2 3.36Å
97H91.1Very high88.7Confident82 Ų8262.9 Ų62.938%0.3832%0.324SS..Hα-helixtrans-61.3-40.7176-83.5-66.9000112.6W14 K93 A94 L95 V99 L100 K101W14-H97 AromaticContact CE2-NE2 3.86Å; W14-H97 AromaticContact CH2-NE2 4Å; W14-H97 AromaticContact CZ2-NE2 3.85Å; K93-H97 PolarHBondContact O-CD2 3.5Å; K93-H97 PolarHBondContact O-N 2.74Å; A94-H97 PolarHBondContact O-N 3.26Å; L95-H97 PolarHBondContact O-N 3Å; H97-V99 VanDerWaalsContact C-N 3.33Å; H97-V99 PolarHBondContact O-N 3.39Å; H97-L100 PolarHBondContact O-N 3.29Å; H97-K101 WeakPolarHBondContact O-CB 3.35Å; H97-K101 PolarHBondContact O-N 2.72Å
98S90.6Very high89.9Confident44 Ų4461.4 Ų61.431%0.30831%0.309SS..Hα-helixtrans-59.3-44.3175.1-175.30000111.7A94 L95 T96 K101 K102A94-S98 PolarHBondContact O-N 3.43Å; L95-S98 WeakPolarHBondContact O-CB 3.2Å; L95-S98 PolarHBondContact O-N 3.31Å; T96-S98 VanDerWaalsContact C-N 3.33Å; T96-S98 PolarHBondContact O-N 3.35Å; S98-K101 PolarHBondContact O-N 3.23Å; S98-K102 WeakPolarHBondContact O-CG 3.16Å; S98-K102 PolarHBondContact O-N 2.91Å
99V91.3Very high90.9Very high0 Ų060.7 Ų60.70%030%0.295CS..Hα-helixtrans-61.4-54.3174.8167.20000111.2L95 T96 H97 K101 K102 L103 L132 L155 L158 L159L95-V99 WeakPolarHBondContact O-CG2 3.46Å; L95-V99 PolarHBondContact O-N 3.24Å; T96-V99 WeakPolarHBondContact O-CB 3.5Å; T96-V99 PolarHBondContact O-N 3.43Å; H97-V99 VanDerWaalsContact C-N 3.33Å; H97-V99 PolarHBondContact O-N 3.39Å; V99-K101 PolarHBondContact O-N 3.24Å; V99-K102 PolarHBondContact O-N 2.88Å; V99-L103 PolarHBondContact O-N 2.88Å; V99-L132 HydrophobicContact CG2-CD2 4.15Å; V99-L155 HydrophobicContact CB-CD1 4.34Å; V99-L155 HydrophobicContact CG1-CD1 3.5Å; V99-L155 HydrophobicContact CG2-CD1 3.86Å; V99-L158 HydrophobicContact CG2-CD2 3.76Å; V99-L159 HydrophobicContact CG1-CD2 4.46Å
100L92.9Very high91.7Very high0 Ų058 Ų580%028%0.283CS..Hα-helixtrans-59.9-33.1-178.2-65.5-178.3000111.9R6 V10 L13 T96 H97 K102 L103 L108 L111R6-L100 PolarHBondContact NH2-O 3.11Å; V10-L100 HydrophobicContact CG1-CD1 4.21Å; L13-L100 HydrophobicContact CD1-CD2 4.01Å; T96-L100 HydrophobicContact CG2-CD1 4.23Å; T96-L100 HydrophobicContact CG2-CG 4.32Å; T96-L100 WeakPolarHBondContact O-CG 3.19Å; T96-L100 PolarHBondContact O-N 3.46Å; H97-L100 PolarHBondContact O-N 3.29Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 2.79Å; L100-L103 HydrophobicContact CD2-CD1 4.01Å; L100-L103 PolarHBondContact O-N 3.44Å; L100-L108 HydrophobicContact CB-CD2 4.38Å; L100-L108 HydrophobicContact CD2-CD2 3.98Å; L100-L111 HydrophobicContact CD2-CD2 3.76Å
101K90.5Very high92.4Very high169 Ų16955.5 Ų55.574%0.73526%0.262SS*.Hα-helixtrans-66.9-25.7175.5-171.6178.4178.4-176.80113R6 H97 S98 V99R6-K101 PolarHBondContact NH2-O 3.2Å; H97-K101 WeakPolarHBondContact O-CB 3.35Å; H97-K101 PolarHBondContact O-N 2.72Å; S98-K101 PolarHBondContact O-N 3.23Å; V99-K101 PolarHBondContact O-N 3.24Å
102K90.6Very high93Very high103 Ų10351.8 Ų51.845%0.44824%0.243SC..Hα-helixtrans-87.6-17.4178.1-68.8173.7178.4-1750113.6S98 V99 L100 L132 D133S98-K102 WeakPolarHBondContact O-CG 3.16Å; S98-K102 PolarHBondContact O-N 2.91Å; V99-K102 PolarHBondContact O-N 2.88Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 2.79Å; K102-L132 HydrophobicContact CB-CD2 4.1Å; K102-L132 HydrophobicContact CD-CD1 4.17Å; K102-L132 HydrophobicContact CD-CD2 3.5Å; K102-L132 HydrophobicContact CD-CG 3.81Å; K102-L132 HydrophobicContact CG-CD2 4.43Å; K102-D133 PolarHBondContact NZ-O 2.84Å
103L93.9Very high93.5Very high7 Ų755.2 Ų55.24%0.03726%0.258CS..SBendtrans-73142.3-179.7-60.9-173.8000112.8R6 V99 L100 Q107 L108 L111 L128R6-L103 PolarHBondContact NH1-O 3.45Å; R6-L103 PolarHBondContact NH2-O 3.27Å; V99-L103 PolarHBondContact O-N 2.88Å; L100-L103 HydrophobicContact CD2-CD1 4.01Å; L100-L103 PolarHBondContact O-N 3.44Å; L103-Q107 HydrophobicContact CB-CB 4.13Å; L103-L108 HydrophobicContact CB-CD2 3.97Å; L103-L108 HydrophobicContact CB-CG 3.97Å; L103-L108 HydrophobicContact CD1-CD2 3.96Å; L103-L111 HydrophobicContact CD1-CD2 4.25Å; L103-L128 HydrophobicContact CD2-CD1 3.68Å; L103-L128 HydrophobicContact CD2-CD2 3.53Å; L103-L128 HydrophobicContact CD2-CG 4.3Å
104K94.6Very high93.9Very high155 Ų15551.9 Ų51.967%0.67424%0.243SC*.  trans-68158.4170-62.4-179.3-178.9178.80110.8R106 Q107 L108K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 2.89Å; K104-Q107 HydrophobicContact CB-CG 4.39Å; K104-Q107 WeakPolarHBondContact O-CB 3.46Å; K104-Q107 PolarHBondContact O-N 2.99Å; K104-L108 PolarHBondContact O-N 2.72Å
105E95.8Very high94.2Very high77 Ų7750 Ų5036%0.3623%0.227SC..Hα-helixtrans-56.4-42.9179.9-67-160.6152.400112.5R6 Q107 L108 E109R6-E105 HydrophobicContact CB-CG 4.47Å; R6-E105 PolarHBondContact N-OE1 2.83Å; E105-Q107 VanDerWaalsContact C-N 3.3Å; E105-Q107 PolarHBondContact O-N 2.76Å; E105-L108 WeakPolarHBondContact O-CB 3.22Å; E105-L108 PolarHBondContact O-N 2.73Å; E105-L108 VanDerWaalsContact O-N 3.15Å; E105-E109 WeakPolarHBondContact O-CG 3.41Å; E105-E109 PolarHBondContact O-N 2.91Å
106R96.3Very high94.4Very high156 Ų15652.9 Ų52.959%0.58924%0.24SC*.Hα-helixtrans-59.4-39.1175.6-177.157177.7171.70.4112.9K104 E109 L110K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 2.89Å; R106-E109 IonicContact NH1-OE2 3.37Å; R106-E109 PolarHBondContact NH1-OE2 3.06Å; R106-E109 PolarHBondContact O-N 3.48Å; R106-L110 WeakPolarHBondContact O-CG 3.01Å; R106-L110 PolarHBondContact O-N 3.43Å
107Q96.4Very high94.4Very high46 Ų4654 Ų5422%0.21525%0.248CC..Hα-helixtrans-68.5-37.1177.4-71.8170.6-33.800111.6L103 K104 E105 L110 L111 L126 L128L103-Q107 HydrophobicContact CB-CB 4.13Å; K104-Q107 HydrophobicContact CB-CG 4.39Å; K104-Q107 WeakPolarHBondContact O-CB 3.46Å; K104-Q107 PolarHBondContact O-N 2.99Å; E105-Q107 VanDerWaalsContact C-N 3.3Å; E105-Q107 PolarHBondContact O-N 2.76Å; Q107-L110 PolarHBondContact O-N 2.85Å; Q107-L111 WeakPolarHBondContact O-CB 3.27Å; Q107-L111 PolarHBondContact O-N 3Å; Q107-L126 HydrophobicContact CB-CD1 3.84Å; Q107-L126 HydrophobicContact CG-CD1 4.08Å; Q107-L128 HydrophobicContact CG-CD2 4.4Å; Q107-L128 VanDerWaalsContact NE2-CD2 3.27Å
108L97.3Very high94.3Very high0 Ų060.4 Ų60.40%027%0.269CS..Hα-helixtrans-65.8-39.6173.5-69.3171.2000112R6 L9 V10 L13 L100 L103 K104 E105 L112R6-L108 HydrophobicContact CG-CD1 4.07Å; R6-L108 VanDerWaalsContact NH1-CD1 3.33Å; L9-L108 HydrophobicContact CB-CB 4.2Å; L9-L108 HydrophobicContact CD1-CB 3.94Å; V10-L108 HydrophobicContact CG2-CD1 4.08Å; V10-L108 HydrophobicContact CG2-CD2 4.29Å; L13-L108 HydrophobicContact CD1-CD2 3.73Å; L100-L108 HydrophobicContact CB-CD2 4.38Å; L100-L108 HydrophobicContact CD2-CD2 3.98Å; L103-L108 HydrophobicContact CB-CD2 3.97Å; L103-L108 HydrophobicContact CB-CG 3.97Å; L103-L108 HydrophobicContact CD1-CD2 3.96Å; K104-L108 PolarHBondContact O-N 2.72Å; E105-L108 WeakPolarHBondContact O-CB 3.22Å; E105-L108 PolarHBondContact O-N 2.73Å; E105-L108 VanDerWaalsContact O-N 3.15Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 PolarHBondContact O-N 2.97Å
109E97.2Very high93.9Very high48 Ų4858.9 Ų58.922%0.22426%0.26CS..Hα-helixtrans-62-46.4174.3-70.5170.1174.900111.7K5 L9 E105 R106 L112 Q113K5-E109 WeakPolarHBondContact CE-OE1 3.31Å; K5-E109 IonicContact NZ-OE1 2.66Å; K5-E109 PolarHBondContact NZ-OE1 3.35Å; L9-E109 HydrophobicContact CD1-CG 3.9Å; L9-E109 HydrophobicContact CD2-CG 4.16Å; E105-E109 WeakPolarHBondContact O-CG 3.41Å; E105-E109 PolarHBondContact O-N 2.91Å; R106-E109 IonicContact NH1-OE2 3.37Å; R106-E109 PolarHBondContact NH1-OE2 3.06Å; R106-E109 PolarHBondContact O-N 3.48Å; E109-L112 PolarHBondContact O-N 2.91Å; E109-Q113 WeakPolarHBondContact O-CB 3.33Å; E109-Q113 PolarHBondContact O-N 2.93Å
110L97.1Very high93.5Very high29 Ų2959.4 Ų59.415%0.15227%0.265CS..Hα-helixtrans-62-44.9177.5-70.6175.8000111.9R106 Q107 L112 Q113 A114 A124R106-L110 WeakPolarHBondContact O-CG 3.01Å; R106-L110 PolarHBondContact O-N 3.43Å; Q107-L110 PolarHBondContact O-N 2.85Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-Q113 PolarHBondContact O-N 2.83Å; L110-A114 WeakPolarHBondContact O-CB 3.34Å; L110-A114 PolarHBondContact O-N 2.77Å; L110-A124 HydrophobicContact CD2-CB 4.23Å
111L97.5Very high93.1Very high0 Ų062 Ų620%028%0.281CS..Hα-helixtrans-62.7-43.7176.1-177.658.3000111.1L13 L100 L103 Q107 A114 V115 L126 L159 F163 P195L13-L111 HydrophobicContact CD1-CD2 4.13Å; L13-L111 HydrophobicContact CD1-CG 4.49Å; L13-L111 HydrophobicContact CD2-CB 4.3Å; L13-L111 HydrophobicContact CD2-CD2 4.07Å; L13-L111 HydrophobicContact CD2-CG 3.74Å; L100-L111 HydrophobicContact CD2-CD2 3.76Å; L103-L111 HydrophobicContact CD1-CD2 4.25Å; Q107-L111 WeakPolarHBondContact O-CB 3.27Å; Q107-L111 PolarHBondContact O-N 3Å; L111-A114 PolarHBondContact O-N 2.78Å; L111-V115 HydrophobicContact CD1-CG2 4.06Å; L111-V115 HydrophobicContact CG-CG2 4.4Å; L111-V115 VanDerWaalsContact O-CG2 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.38Å; L111-V115 PolarHBondContact O-N 3.4Å; L111-L126 HydrophobicContact CB-CD2 3.91Å; L111-L126 HydrophobicContact CD1-CD2 3.87Å; L111-L126 HydrophobicContact CD2-CD2 4.4Å; L111-L126 HydrophobicContact CG-CD2 4.26Å; L111-L159 HydrophobicContact CD2-CD2 4.43Å; L111-F163 HydrophobicContact CD1-CE2 4.39Å; L111-F163 HydrophobicContact CD2-CE2 4.06Å; L111-F163 HydrophobicContact CD2-CZ 4.43Å; L111-F163 HydrophobicContact CG-CE2 4.49Å; L111-P195 HydrophobicContact CD1-CG 4.13Å
112L97.3Very high93Very high6 Ų661.3 Ų61.33%0.03127%0.274CS..Hα-helixtrans-64.2-44.9-179.5-178.963.7000111.4L9 R12 L13 L108 E109 L110 A114 V115 E116L9-L112 HydrophobicContact CD2-CD2 3.56Å; R12-L112 HydrophobicContact CB-CD1 3.72Å; R12-L112 HydrophobicContact CB-CD2 4Å; L13-L112 HydrophobicContact CD2-CB 3.92Å; L13-L112 HydrophobicContact CD2-CD1 3.91Å; L13-L112 HydrophobicContact CG-CB 4.12Å; L13-L112 HydrophobicContact CG-CD1 3.9Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 PolarHBondContact O-N 2.97Å; E109-L112 PolarHBondContact O-N 2.91Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L112-A114 VanDerWaalsContact C-N 3.3Å; L112-A114 PolarHBondContact O-N 2.83Å; L112-V115 PolarHBondContact O-N 2.89Å; L112-E116 HydrophobicContact CD1-CG 3.84Å; L112-E116 WeakPolarHBondContact CD1-OE1 3.31Å; L112-E116 HydrophobicContact CG-CG 4.32Å; L112-E116 WeakPolarHBondContact O-CB 3.42Å; L112-E116 WeakPolarHBondContact O-CG 3.28Å; L112-E116 PolarHBondContact O-N 3.38Å
113Q96.3Very high93.1Very high102 Ų10257.1 Ų57.148%0.47726%0.257SS..Hα-helixtrans-58.6-43.5175-173.1-176.117.100111.3E109 L110 S117 T123E109-Q113 WeakPolarHBondContact O-CB 3.33Å; E109-Q113 PolarHBondContact O-N 2.93Å; L110-Q113 PolarHBondContact O-N 2.83Å; Q113-S117 VanDerWaalsContact O-CB 3.32Å; Q113-S117 WeakPolarHBondContact O-CB 3.4Å; Q113-S117 PolarHBondContact O-N 3.43Å; Q113-T123 HydrophobicContact CG-CG2 4.07Å
114A95.8Very high93.2Very high0 Ų059.1 Ų59.10%028%0.275CS..Hα-helixtrans-62.1-48.417700000112.4L110 L111 L112 S117 T123 N194 H196L110-A114 WeakPolarHBondContact O-CB 3.34Å; L110-A114 PolarHBondContact O-N 2.77Å; L111-A114 PolarHBondContact O-N 2.78Å; L112-A114 VanDerWaalsContact C-N 3.3Å; L112-A114 PolarHBondContact O-N 2.83Å; A114-S117 PolarHBondContact O-N 3.04Å; A114-S117 PolarHBondContact O-OG 3.09Å; A114-T123 HydrophobicContact CB-CG2 4.44Å; A114-N194 WeakPolarHBondContact CB-ND2 3.45Å; A114-N194 WeakPolarHBondContact CB-OD1 3.5Å; A114-H196 PolarHBondContact O-CD2 2.85Å; A114-H196 PolarHBondContact O-NE2 2.81Å
115V95.9Very high93.2Very high6 Ų652.3 Ų52.34%0.03625%0.246CC..Hα-helixtrans-68.5-42.6-177.6174.80000111.3L13 S16 L111 L112 S117 R118 F163L13-V115 HydrophobicContact CD2-CG2 4.38Å; S16-V115 VanDerWaalsContact CB-CG1 3.49Å; S16-V115 WeakPolarHBondContact O-CG1 3.41Å; L111-V115 HydrophobicContact CD1-CG2 4.06Å; L111-V115 HydrophobicContact CG-CG2 4.4Å; L111-V115 VanDerWaalsContact O-CG2 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.38Å; L111-V115 PolarHBondContact O-N 3.4Å; L112-V115 PolarHBondContact O-N 2.89Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-S117 PolarHBondContact O-N 3.3Å; V115-R118 PolarHBondContact O-N 2.85Å; V115-F163 HydrophobicContact CB-CD1 4.4Å; V115-F163 HydrophobicContact CG1-CB 4.23Å; V115-F163 HydrophobicContact CG1-CD1 3.71Å; V115-F163 HydrophobicContact CG1-CE1 4.44Å; V115-F163 HydrophobicContact CG1-CG 4.18Å; V115-F163 HydrophobicContact CG2-CB 3.85Å; V115-F163 HydrophobicContact CG2-CD1 3.78Å; V115-F163 HydrophobicContact CG2-CD2 4Å; V115-F163 HydrophobicContact CG2-CE1 4.35Å; V115-F163 HydrophobicContact CG2-CG 3.59Å
116E93.9Very high93.2Very high80 Ų8048.8 Ų48.837%0.37423%0.23SC..Hα-helixtrans-71.8-26179.7-71.6-179.6159.800112.8R12 L112 R118R12-E116 IonicContact CZ-OE1 3.72Å; R12-E116 IonicContact CZ-OE2 3.11Å; R12-E116 IonicContact NE-OE1 3.46Å; R12-E116 PolarHBondContact NE-OE1 3.07Å; R12-E116 VanDerWaalsContact NE-OE1 3.11Å; R12-E116 IonicContact NH2-OE1 2.69Å; R12-E116 PolarHBondContact NH2-OE1 3.3Å; R12-E116 IonicContact NH2-OE2 3.34Å; R12-E116 PolarHBondContact NH2-OE2 3.42Å; L112-E116 HydrophobicContact CD1-CG 3.84Å; L112-E116 WeakPolarHBondContact CD1-OE1 3.31Å; L112-E116 HydrophobicContact CG-CG 4.32Å; L112-E116 WeakPolarHBondContact O-CB 3.42Å; L112-E116 WeakPolarHBondContact O-CG 3.28Å; L112-E116 PolarHBondContact O-N 3.38Å; E116-R118 PolarHBondContact O-N 2.85Å
117S90.7Very high93.1Very high25 Ų2544.5 Ų44.518%0.17522%0.219CC..Hα-helixtrans-69.1-19.7174.480.10000113Q113 A114 V115 G119 G120 T121Q113-S117 VanDerWaalsContact O-CB 3.32Å; Q113-S117 WeakPolarHBondContact O-CB 3.4Å; Q113-S117 PolarHBondContact O-N 3.43Å; A114-S117 PolarHBondContact O-N 3.04Å; A114-S117 PolarHBondContact O-OG 3.09Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-S117 PolarHBondContact O-N 3.3Å; S117-G119 PolarHBondContact O-N 3.19Å; S117-G119 VanDerWaalsContact O-N 3.07Å; S117-G119 PolarHBondContact OG-N 3.09Å; S117-G120 PolarHBondContact O-N 3.4Å; S117-T121 WeakPolarHBondContact CB-OG1 3.18Å
118R87.8Confident92.9Very high215 Ų21542.6 Ų42.681%0.81121%0.21SC*.THydrogen-bonded Turntrans52.128.7-176-58.1-177.2176.3-154.5-2.7113.1V115 E116 G120V115-R118 PolarHBondContact O-N 2.85Å; E116-R118 PolarHBondContact O-N 2.85Å; R118-G120 VanDerWaalsContact C-N 3.26Å; R118-G120 PolarHBondContact O-N 2.83Å
119G83.6Confident92.4Very high12 Ų1245.4 Ų45.412%0.12423%0.228CC..THydrogen-bonded Turntrans76.67.8-176.200000114.8S117 H196S117-G119 PolarHBondContact O-N 3.19Å; S117-G119 VanDerWaalsContact O-N 3.07Å; S117-G119 PolarHBondContact OG-N 3.09Å; G119-H196 PolarHBondContact N-CE1 2.91Å; G119-H196 PolarHBondContact N-ND1 2.96Å
120G81.6Confident91.1Very high11 Ų1144.3 Ų44.311%0.11323%0.229CC..SBendtrans-73-40.417700000112.9S117 R118 L290 C319 R335S117-G120 PolarHBondContact O-N 3.4Å; R118-G120 VanDerWaalsContact C-N 3.26Å; R118-G120 PolarHBondContact O-N 2.83Å; G120-L290 WeakPolarHBondContact O-CD1 3.35Å; G120-C319 WeakPolarHBondContact CA-SG 3.04Å; G120-R335 PolarHBondContact O-NH2 3.37Å
121T85.1Confident89.7Confident54 Ų5453.7 Ų53.733%0.33126%0.263SS..SBendtrans-108.4148.6175.163.60000111.3S117 T123S117-T121 WeakPolarHBondContact CB-OG1 3.18Å; T121-T123 PolarHBondContact O-N 3.33Å
122R87.8Confident88Confident155 Ų15556 Ų5659%0.58528%0.275SS*.  trans-67.2130.4170.9-69.6-172.8176.2-148.90.3109.1D285R122-D285 IonicContact CZ-OD2 2.78Å; R122-D285 IonicContact NE-OD2 2.7Å; R122-D285 PolarHBondContact NE-OD2 2.91Å; R122-D285 IonicContact NH2-OD2 3.45Å; R122-D285 PolarHBondContact NH2-OD2 3.31Å
123T93.4Very high86Confident16 Ų1661.9 Ų61.910%0.09831%0.307CS..  trans-126.3151.2178.457.50000110.1Q113 A114 T121 N194 H197Q113-T123 HydrophobicContact CG-CG2 4.07Å; A114-T123 HydrophobicContact CB-CG2 4.44Å; T121-T123 PolarHBondContact O-N 3.33Å; T123-N194 PolarHBondContact OG1-ND2 3.27Å; T123-H197 PolarHBondContact O-CE1 2.83Å; T123-H197 VanDerWaalsContact O-CE1 3.27Å; T123-H197 PolarHBondContact O-NE2 3.46Å
124A95.4Very high83.8Confident48 Ų4858.8 Ų58.840%0.39730%0.295SS..  trans-65.6162.1-176.800000113.2L110 N194L110-A124 HydrophobicContact CD2-CB 4.23Å; A124-N194 PolarHBondContact O-ND2 2.9Å
125C95.6Very high81.7Confident12 Ų1269.1 Ų69.18%0.08134%0.335CS..  trans-64.8136.7172.7-72.60000111L127 E181 C192 H197C125-L127 HydrophobicContact CB-CD2 3.98Å; C125-L127 HydrophobicContact CB-CG 4.14Å; C125-E181 PolarHBondContact SG-N 3.07Å; C125-C192 HydrophobicContact CB-CB 4.41Å; C125-H197 VanDerWaalsContact SG-CE1 3.57Å
126L95.6Very high79.3Confident3 Ų374 Ų742%0.01636%0.36CS..  trans-97.686.7168.8177.963.6000108.5Q107 L111 L128 L159 C192 C193 N194Q107-L126 HydrophobicContact CB-CD1 3.84Å; Q107-L126 HydrophobicContact CG-CD1 4.08Å; L111-L126 HydrophobicContact CB-CD2 3.91Å; L111-L126 HydrophobicContact CD1-CD2 3.87Å; L111-L126 HydrophobicContact CD2-CD2 4.4Å; L111-L126 HydrophobicContact CG-CD2 4.26Å; L126-L128 HydrophobicContact CD1-CD1 4.38Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CD1-CG 4.31Å; L126-L128 HydrophobicContact CD2-CD1 3.94Å; L126-L128 HydrophobicContact CG-CD1 3.87Å; L126-L128 HydrophobicContact CG-CD2 4.48Å; L126-L128 HydrophobicContact CG-CG 3.99Å; L126-L128 PolarHBondContact O-N 3.05Å; L126-L159 HydrophobicContact CD2-CD1 4.37Å; L126-C192 CarbonylContact O-C 3.59Å; L126-C192 WeakPolarHBondContact O-CA 3.36Å; L126-C193 HydrophobicContact CD2-CB 4.18Å; L126-C193 HydrophobicContact CG-CB 4.28Å; L126-C193 WeakPolarHBondContact O-CB 3.34Å; L126-C193 PolarHBondContact O-N 3.45Å; L126-N194 HydrophobicContact CB-CB 4.24Å
127L94.4Very high76.7Confident67 Ų6772.8 Ų72.835%0.35137%0.369SS..EExtended strand (participates in β ladder)trans-79.2119-178.1-59.8-178.6000110.7C125 L190 C192C125-L127 HydrophobicContact CB-CD2 3.98Å; C125-L127 HydrophobicContact CB-CG 4.14Å; L127-L190 HydrophobicContact CB-CB 4.34Å; L127-L190 HydrophobicContact CB-CD1 4.41Å; L127-C192 HydrophobicContact CD2-CB 4.06Å
128L91.9Very high74.5Confident5 Ų578.5 Ų78.53%0.02641%0.405CS..EExtended strand (participates in β ladder)trans-136.9156.3-178.9-59.1175.8000110.5L103 Q107 L126 G130 L155 L190 V191 C193L103-L128 HydrophobicContact CD2-CD1 3.68Å; L103-L128 HydrophobicContact CD2-CD2 3.53Å; L103-L128 HydrophobicContact CD2-CG 4.3Å; Q107-L128 HydrophobicContact CG-CD2 4.4Å; Q107-L128 VanDerWaalsContact NE2-CD2 3.27Å; L126-L128 HydrophobicContact CD1-CD1 4.38Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CD1-CG 4.31Å; L126-L128 HydrophobicContact CD2-CD1 3.94Å; L126-L128 HydrophobicContact CG-CD1 3.87Å; L126-L128 HydrophobicContact CG-CD2 4.48Å; L126-L128 HydrophobicContact CG-CG 3.99Å; L126-L128 PolarHBondContact O-N 3.05Å; L128-G130 PolarHBondContact O-N 3.12Å; L128-L155 HydrophobicContact CB-CD2 3.59Å; L128-L155 HydrophobicContact CD1-CD2 3.55Å; L128-L155 HydrophobicContact CD1-CG 4.28Å; L128-L155 HydrophobicContact CG-CD2 4.2Å; L128-L190 WeakPolarHBondContact O-CA 3.35Å; L128-V191 PolarHBondContact N-O 3.36Å; L128-V191 PolarHBondContact O-N 3.46Å; L128-C193 HydrophobicContact CB-CB 4.46Å; L128-C193 HydrophobicContact CD1-CB 3.73Å; L128-C193 HydrophobicContact CG-CB 4.22Å
129P87.2Confident72.2Confident60 Ų6071.8 Ų71.839%0.3940%0.403SS..EExtended strand (participates in β ladder)trans-55.1130.1173.1-25.935.4000112.1R131 E189 L190P129-R131 PolarHBondContact O-N 2.85Å; P129-E189 WeakPolarHBondContact CA-O 3.26Å; P129-L190 HydrophobicContact CG-CD2 4.45Å
130G69.9Low70Confident24 Ų2475.8 Ų75.825%0.24744%0.435CS..SBendtrans-62.3-26.4-174.700000114L128L128-G130 PolarHBondContact O-N 3.12Å
131R67.5Low67.8Low226 Ų22680.5 Ų80.585%0.85346%0.464SS*.  trans-120.8112.5166.2-68-167.9179.4-156.11.1108.7P129P129-R131 PolarHBondContact O-N 2.85Å
132L62Low65.5Low48 Ų4883.3 Ų83.325%0.25149%0.492SS..  trans-94.5122161.8-158.566.4000105.5V99 K102 C134V99-L132 HydrophobicContact CG2-CD2 4.15Å; K102-L132 HydrophobicContact CB-CD2 4.1Å; K102-L132 HydrophobicContact CD-CD1 4.17Å; K102-L132 HydrophobicContact CD-CD2 3.5Å; K102-L132 HydrophobicContact CD-CG 3.81Å; K102-L132 HydrophobicContact CG-CD2 4.43Å; L132-C134 PolarHBondContact O-N 2.88Å; L132-C134 PolarHBondContact O-SG 2.89Å; L132-C134 VanDerWaalsContact O-SG 3.39Å
133D53.6Low63.3Low131 Ų13180.8 Ų80.870%0.70150%0.498SS*.  trans-60.891.9175.3-74.6-44.4000109K102 R135K102-D133 PolarHBondContact NZ-O 2.84Å; D133-R135 VanDerWaalsContact C-N 3.34Å
134C51Low60.6Low36 Ų3684.7 Ų84.724%0.24353%0.532CS..  trans-103.757177.5-66.80000108.1L95 L132 L136L95-C134 HydrophobicContact CD1-CB 3.24Å; L132-C134 PolarHBondContact O-N 2.88Å; L132-C134 PolarHBondContact O-SG 2.89Å; L132-C134 VanDerWaalsContact O-SG 3.39Å; C134-L136 PolarHBondContact O-N 3.08Å
135R51.4Low57.7Low218 Ų21890.8 Ų90.882%0.82355%0.553SS**  trans-66.5123.5164.4-67-171.8177.6-123.61.9107.6D133 G137D133-R135 VanDerWaalsContact C-N 3.34Å; R135-G137 PolarHBondContact O-N 3.23Å
136L45.7Very low55.1Low108 Ų10896.5 Ų96.557%0.56559%0.59SS**SBendtrans-67.296.9167.8-73.3161.4000107.6A94 C134A94-L136 HydrophobicContact CB-CD2 4.21Å; C134-L136 PolarHBondContact O-N 3.08Å
137G40.6Very low52.5Low55 Ų55100.6 Ų100.657%0.56762%0.624SS**  trans78.3140167.100000117.7R135R135-G137 PolarHBondContact O-N 3.23Å
138P43.4Very low49.9Very low144 Ų144105.4 Ų105.494%0.93564%0.644SS**SBendtrans-86.4110156.227.8-17.2000108.7
139G40.4Very low47.3Very low75 Ų75110.3 Ų110.377%0.77368%0.677SS**  trans156.45.117400000119.1P141G139-P141 WeakPolarHBondContact O-CD 3.24Å
140A36.2Very low45.6Very low95 Ų95112.7 Ų112.779%0.78569%0.692SS**  trans-81.2120.4171.500000109.8
141P34.8Very low44.9Very low111 Ų111114.8 Ų114.872%0.72170%0.703SS**  trans-61.8141.5176.524.9-31.5000110.1G139 S143G139-P141 WeakPolarHBondContact O-CD 3.24Å; P141-S143 PolarHBondContact O-N 3.27Å
142A38Very low44.9Very low112 Ų112109.6 Ų109.693%0.92670%0.701SS**SBendtrans-71.169.2178.600000111.2
143S42.2Very low45.6Very low102 Ų102110.4 Ų110.471%0.71370%0.701SS**  trans-165.683.1169.959.60000111.6P141P141-S143 PolarHBondContact O-N 3.27Å
144A36.6Very low47.2Very low98 Ų98106.7 Ų106.781%0.8169%0.685SS**SBendtrans-168.1143.1150.500000108.7
145Q33.8Very low49Very low177 Ų177105.3 Ų105.383%0.82768%0.676SS**  trans-42.3158.2-177.8-90.6137.6-45.100116.2A147Q145-A147 PolarHBondContact O-N 3.29Å
146P41.6Very low51Low132 Ų13295.6 Ų95.686%0.85764%0.641SS**  trans-72.875.1175.532.6-33.5000110.6Q148P146-Q148 PolarHBondContact O-N 3.18Å
147A41.2Very low53.2Low89 Ų8991.2 Ų91.274%0.73662%0.618SS**  trans-83.991.9166.800000108.4Q145Q145-A147 PolarHBondContact O-N 3.29Å
148Q38.1Very low55.7Low168 Ų16888.8 Ų88.879%0.78559%0.592SS**SBendtrans60.1127.6172.8-60.7-71.4-2600115.3P146P146-Q148 PolarHBondContact O-N 3.18Å
149P38.6Very low58.1Low108 Ų10881.9 Ų81.970%0.70155%0.547SS*.  trans-60.2135.8173.425.9-31.2000109S151P149-S151 PolarHBondContact O-N 2.97Å
150P51.7Low60.7Low109 Ų10978.3 Ų78.371%0.70851%0.51SS*.  trans-53.2131171.522.6-31.6000107.3S152P150-S152 VanDerWaalsContact C-N 3.3Å; P150-S152 PolarHBondContact O-N 3.15Å
151S55.5Low63.4Low69 Ų6975.2 Ų75.248%0.48348%0.479SS..  trans-52.792.1-174.656.30000110.4P149 Y153P149-S151 PolarHBondContact O-N 2.97Å; S151-Y153 VanDerWaalsContact C-N 3.27Å; S151-Y153 WeakPolarHBondContact O-CD2 3.37Å; S151-Y153 PolarHBondContact O-N 3.46Å; S151-Y153 VanDerWaalsContact OG-CE2 3.3Å; S151-Y153 WeakPolarHBondContact OG-CE2 3.14Å
152S67.4Low66.3Low116 Ų11670.5 Ų70.581%0.81145%0.448SS*.  trans-81.982.1-176.9-171.90000107.3P150 S154P150-S152 VanDerWaalsContact C-N 3.3Å; P150-S152 PolarHBondContact O-N 3.15Å; S152-S154 PolarHBondContact O-N 3.27Å
153Y75.4Confident69Low66 Ų6665.7 Ų65.726%0.25941%0.406SS..  trans-65.9131.4171.9-64.4-74.9000108.8L92 L95 S151 L157 K161L92-Y153 HydrophobicContact CD1-CD2 4.37Å; L92-Y153 HydrophobicContact CD1-CE2 4.14Å; L95-Y153 HydrophobicContact CD2-CD2 4.02Å; S151-Y153 VanDerWaalsContact C-N 3.27Å; S151-Y153 WeakPolarHBondContact O-CD2 3.37Å; S151-Y153 PolarHBondContact O-N 3.46Å; S151-Y153 VanDerWaalsContact OG-CE2 3.3Å; S151-Y153 WeakPolarHBondContact OG-CE2 3.14Å; Y153-L157 HydrophobicContact CD1-CD2 3.81Å; Y153-L157 HydrophobicContact CD1-CG 4.04Å; Y153-K161 HydrophobicContact CE1-CD 4.04Å
154S87.3Confident71.6Confident52 Ų5262.5 Ų62.536%0.36438%0.379SS..  trans-60.2148.9163.471.50000109S152 P156 L157 L158S152-S154 PolarHBondContact O-N 3.27Å; S154-P156 VanDerWaalsContact C-CD 3.5Å; S154-P156 VanDerWaalsContact C-N 3.35Å; S154-L157 WeakPolarHBondContact O-CB 3.41Å; S154-L157 PolarHBondContact O-N 2.92Å; S154-L157 VanDerWaalsContact OG-CB 3.26Å; S154-L157 WeakPolarHBondContact OG-CB 3.16Å; S154-L157 PolarHBondContact OG-N 3.37Å; S154-L158 PolarHBondContact O-N 2.83Å
155L90.1Very high74.3Confident8 Ų858.8 Ų58.84%0.04234%0.344CS..Hα-helixtrans-57.4-40.5-175.9-174.457.4000113.6V99 L128 L157 L158 L159 C193V99-L155 HydrophobicContact CB-CD1 4.34Å; V99-L155 HydrophobicContact CG1-CD1 3.5Å; V99-L155 HydrophobicContact CG2-CD1 3.86Å; L128-L155 HydrophobicContact CB-CD2 3.59Å; L128-L155 HydrophobicContact CD1-CD2 3.55Å; L128-L155 HydrophobicContact CD1-CG 4.28Å; L128-L155 HydrophobicContact CG-CD2 4.2Å; L155-L157 PolarHBondContact O-N 2.9Å; L155-L158 HydrophobicContact CD1-CD2 4.4Å; L155-L159 HydrophobicContact CD1-CD1 4.32Å; L155-L159 HydrophobicContact CD1-CG 4.32Å; L155-L159 HydrophobicContact CG-CD1 4.44Å; L155-L159 WeakPolarHBondContact O-CG 3.18Å; L155-L159 PolarHBondContact O-N 2.9Å; L155-L159 VanDerWaalsContact O-N 3.17Å; L155-C193 HydrophobicContact CG-CB 4.37Å
156P92.5Very high77.2Confident13 Ų1352.7 Ų52.78%0.08432%0.319CS..Hα-helixtrans-61.8-41.7172.2-21.933.3000113S154 L159 C160 V191 L198S154-P156 VanDerWaalsContact C-CD 3.5Å; S154-P156 VanDerWaalsContact C-N 3.35Å; P156-L159 PolarHBondContact O-N 3.35Å; P156-C160 WeakPolarHBondContact O-CB 3.47Å; P156-C160 PolarHBondContact O-N 3.07Å; P156-V191 HydrophobicContact CG-CG1 3.56Å; P156-L198 HydrophobicContact CB-CD1 3.99Å
157L91.8Very high79.5Confident17 Ų1750.4 Ų50.49%0.08930%0.3CS..Hα-helixtrans-64.8-44.2-179.2-175.363.8000111.1Y153 S154 L155 C160 K161 L168Y153-L157 HydrophobicContact CD1-CD2 3.81Å; Y153-L157 HydrophobicContact CD1-CG 4.04Å; S154-L157 WeakPolarHBondContact O-CB 3.41Å; S154-L157 PolarHBondContact O-N 2.92Å; S154-L157 VanDerWaalsContact OG-CB 3.26Å; S154-L157 WeakPolarHBondContact OG-CB 3.16Å; S154-L157 PolarHBondContact OG-N 3.37Å; L155-L157 PolarHBondContact O-N 2.9Å; L157-C160 PolarHBondContact O-N 2.85Å; L157-K161 WeakPolarHBondContact O-CB 3.41Å; L157-K161 PolarHBondContact O-N 2.93Å; L157-L168 HydrophobicContact CD1-CD2 3.44Å; L157-L168 VanDerWaalsContact CD1-CD2 3.44Å; L157-L168 HydrophobicContact CD1-CG 3.71Å
158L92.3Very high81.9Confident3 Ų346.2 Ų46.22%0.01627%0.265CS..Hα-helixtrans-56.7-51.7175.5175.963.5000111.8L92 L95 V99 S154 L155 K161 V162L92-L158 HydrophobicContact CD1-CD1 3.4Å; L92-L158 HydrophobicContact CG-CD1 4.44Å; L95-L158 HydrophobicContact CD2-CD1 3.8Å; L95-L158 HydrophobicContact CD2-CD2 4.01Å; L95-L158 HydrophobicContact CD2-CG 4.49Å; L95-L158 HydrophobicContact CG-CD1 4.1Å; L95-L158 HydrophobicContact CG-CD2 3.75Å; V99-L158 HydrophobicContact CG2-CD2 3.76Å; S154-L158 PolarHBondContact O-N 2.83Å; L155-L158 HydrophobicContact CD1-CD2 4.4Å; L158-K161 PolarHBondContact O-N 3.1Å; L158-V162 HydrophobicContact CD1-CG2 4.35Å; L158-V162 WeakPolarHBondContact O-CG2 3.21Å; L158-V162 PolarHBondContact O-N 3.03Å
159L94.4Very high84.3Confident0 Ų047.1 Ų47.10%026%0.261CS..Hα-helixtrans-70-35.1-176.9-60.3175.5000111.9V99 L111 L126 L155 P156 K161 V162 F163 C193 P195V99-L159 HydrophobicContact CG1-CD2 4.46Å; L111-L159 HydrophobicContact CD2-CD2 4.43Å; L126-L159 HydrophobicContact CD2-CD1 4.37Å; L155-L159 HydrophobicContact CD1-CD1 4.32Å; L155-L159 HydrophobicContact CD1-CG 4.32Å; L155-L159 HydrophobicContact CG-CD1 4.44Å; L155-L159 WeakPolarHBondContact O-CG 3.18Å; L155-L159 PolarHBondContact O-N 2.9Å; L155-L159 VanDerWaalsContact O-N 3.17Å; P156-L159 PolarHBondContact O-N 3.35Å; L159-K161 VanDerWaalsContact C-N 3.35Å; L159-V162 PolarHBondContact O-N 2.93Å; L159-F163 HydrophobicContact CB-CD2 4.21Å; L159-F163 HydrophobicContact CD2-CD2 4.38Å; L159-F163 HydrophobicContact CD2-CE2 3.83Å; L159-F163 WeakPolarHBondContact O-CB 3.44Å; L159-F163 VanDerWaalsContact O-CD2 3.25Å; L159-F163 WeakPolarHBondContact O-CD2 3.3Å; L159-F163 PolarHBondContact O-N 2.63Å; L159-C193 HydrophobicContact CD1-CB 3.8Å; L159-C193 VanDerWaalsContact CD1-O 3.28Å; L159-C193 WeakPolarHBondContact CD1-O 3.47Å; L159-P195 HydrophobicContact CB-CG 3.98Å
160C95.2Very high86.7Confident0 Ų047.5 Ų47.50%025%0.253CS..Hα-helixtrans-61.5-43.2170-82.10000112P156 L157 V162 R164 W165 L168 L198P156-C160 WeakPolarHBondContact O-CB 3.47Å; P156-C160 PolarHBondContact O-N 3.07Å; L157-C160 PolarHBondContact O-N 2.85Å; C160-V162 VanDerWaalsContact C-N 3.34Å; C160-V162 PolarHBondContact O-N 2.84Å; C160-R164 WeakPolarHBondContact O-CA 3.44Å; C160-R164 WeakPolarHBondContact O-CB 3.49Å; C160-R164 PolarHBondContact O-N 3.02Å; C160-W165 HydrophobicContact CB-CE3 4.27Å; C160-W165 HydrophobicContact CB-CZ3 4.46Å; C160-W165 PolarHBondContact O-N 3.03Å; C160-L168 HydrophobicContact CB-CD2 3.75Å; C160-L198 WeakPolarHBondContact SG-CD1 3.2Å
161K93.9Very high88.5Confident29 Ų2946.2 Ų46.213%0.12625%0.247CC..Hα-helixtrans-62-42.1179.3-166.3174.8179.367.50111.9L92 Y153 L157 L158 L159 W165 P166 L168L92-K161 HydrophobicContact CD1-CD 4.08Å; L92-K161 HydrophobicContact CD2-CD 4.14Å; L92-K161 HydrophobicContact CD2-CG 4.25Å; Y153-K161 HydrophobicContact CE1-CD 4.04Å; L157-K161 WeakPolarHBondContact O-CB 3.41Å; L157-K161 PolarHBondContact O-N 2.93Å; L158-K161 PolarHBondContact O-N 3.1Å; L159-K161 VanDerWaalsContact C-N 3.35Å; K161-W165 WeakPolarHBondContact CA-O 3.37Å; K161-W165 CarbonylContact O-C 3.6Å; K161-P166 WeakPolarHBondContact CE-O 3.35Å; K161-P166 PolarHBondContact NZ-O 2.64Å; K161-P166 VanDerWaalsContact O-CA 3.29Å; K161-P166 WeakPolarHBondContact O-CA 3.4Å; K161-L168 PolarHBondContact NZ-O 2.87Å
162V94.8Very high90.2Very high12 Ų1247.1 Ų47.17%0.07325%0.254CS..Hα-helixtrans-75-44.3-1791750000112.9W14 R17 A18 L92 T96 L158 L159 C160W14-V162 HydrophobicContact CZ3-CG1 4.49Å; R17-V162 HydrophobicContact CB-CG1 4.17Å; A18-V162 PolarHBondContact N-O 2.89Å; L92-V162 HydrophobicContact CD1-CG2 4.5Å; L92-V162 HydrophobicContact CD2-CG2 4.41Å; L92-V162 HydrophobicContact CG-CG2 4.28Å; T96-V162 HydrophobicContact CG2-CG1 4.23Å; T96-V162 HydrophobicContact CG2-CG2 4.12Å; T96-V162 VanDerWaalsContact OG1-CG2 3.29Å; T96-V162 WeakPolarHBondContact OG1-CG2 3.36Å; L158-V162 HydrophobicContact CD1-CG2 4.35Å; L158-V162 WeakPolarHBondContact O-CG2 3.21Å; L158-V162 PolarHBondContact O-N 3.03Å; L159-V162 PolarHBondContact O-N 2.93Å; C160-V162 VanDerWaalsContact C-N 3.34Å; C160-V162 PolarHBondContact O-N 2.84Å
163F95.9Very high91.5Very high11 Ų1142.8 Ų42.85%0.04822%0.221CC..Hα-helixtrans-99.3-12-169-64-64.1000114.5L13 L111 V115 L159 P195L13-F163 HydrophobicContact CB-CE1 4.33Å; L13-F163 HydrophobicContact CB-CZ 4.34Å; L13-F163 HydrophobicContact CD2-CE1 4.27Å; L13-F163 HydrophobicContact CD2-CZ 4.16Å; L13-F163 WeakPolarHBondContact O-CE1 3.07Å; L111-F163 HydrophobicContact CD1-CE2 4.39Å; L111-F163 HydrophobicContact CD2-CE2 4.06Å; L111-F163 HydrophobicContact CD2-CZ 4.43Å; L111-F163 HydrophobicContact CG-CE2 4.49Å; V115-F163 HydrophobicContact CB-CD1 4.4Å; V115-F163 HydrophobicContact CG1-CB 4.23Å; V115-F163 HydrophobicContact CG1-CD1 3.71Å; V115-F163 HydrophobicContact CG1-CE1 4.44Å; V115-F163 HydrophobicContact CG1-CG 4.18Å; V115-F163 HydrophobicContact CG2-CB 3.85Å; V115-F163 HydrophobicContact CG2-CD1 3.78Å; V115-F163 HydrophobicContact CG2-CD2 4Å; V115-F163 HydrophobicContact CG2-CE1 4.35Å; V115-F163 HydrophobicContact CG2-CG 3.59Å; L159-F163 HydrophobicContact CB-CD2 4.21Å; L159-F163 HydrophobicContact CD2-CD2 4.38Å; L159-F163 HydrophobicContact CD2-CE2 3.83Å; L159-F163 WeakPolarHBondContact O-CB 3.44Å; L159-F163 VanDerWaalsContact O-CD2 3.25Å; L159-F163 WeakPolarHBondContact O-CD2 3.3Å; L159-F163 PolarHBondContact O-N 2.63Å; F163-P195 HydrophobicContact CB-CB 4.45Å; F163-P195 HydrophobicContact CB-CG 4.22Å; F163-P195 HydrophobicContact CD2-CG 4.11Å
164R95.1Very high92.4Very high36 Ų3640.8 Ų40.814%0.13622%0.215CC..THydrogen-bonded Turntrans-134.1-55.8-176.2-60.7-17167.5-179.42.9114C160 P195 L198 Y333C160-R164 WeakPolarHBondContact O-CA 3.44Å; C160-R164 WeakPolarHBondContact O-CB 3.49Å; C160-R164 PolarHBondContact O-N 3.02Å; R164-P195 WeakPolarHBondContact CD-O 3.25Å; R164-P195 HydrophobicContact CG-CB 3.95Å; R164-P195 PolarHBondContact NH1-O 3.44Å; R164-L198 PolarHBondContact NH1-O 3.12Å; R164-Y333 PolarHBondContact NH2-OH 2.9Å
165W94.8Very high92.8Very high20 Ų2039.7 Ų39.78%0.07620%0.204CC..  trans-13385.8-166.8-56.3-54.3000111.4C160 K161 D167 L168 V174 R200 G363C160-W165 HydrophobicContact CB-CE3 4.27Å; C160-W165 HydrophobicContact CB-CZ3 4.46Å; C160-W165 PolarHBondContact O-N 3.03Å; K161-W165 WeakPolarHBondContact CA-O 3.37Å; K161-W165 CarbonylContact O-C 3.6Å; W165-D167 PolarHBondContact O-N 2.83Å; W165-D167 VanDerWaalsContact O-N 3.12Å; W165-L168 HydrophobicContact CB-CB 3.95Å; W165-L168 HydrophobicContact CE3-CD2 4.19Å; W165-L168 WeakPolarHBondContact O-CB 3.43Å; W165-L168 PolarHBondContact O-N 2.73Å; W165-V174 HydrophobicContact CE3-CG1 4.15Å; W165-V174 HydrophobicContact CZ3-CG1 3.75Å; W165-R200 HydrophobicContact CD2-CB 4.34Å; W165-R200 HydrophobicContact CE3-CB 4.42Å; W165-R200 HydrophobicContact CH2-CB 4.06Å; W165-R200 VanDerWaalsContact CH2-N 3.33Å; W165-R200 HydrophobicContact CZ2-CB 3.93Å; W165-R200 HydrophobicContact CZ3-CB 4.29Å; W165-G363 VanDerWaalsContact CZ2-O 3.25Å; W165-G363 WeakPolarHBondContact CZ2-O 3.3Å
166P92.9Very high93.1Very high48 Ų4841.8 Ų41.831%0.31221%0.211SC..THydrogen-bonded Turntrans-57.3-27.3-179.4-26.336.1000113.7A18 K161A18-P166 HydrophobicContact CB-CG 3.73Å; K161-P166 WeakPolarHBondContact CE-O 3.35Å; K161-P166 PolarHBondContact NZ-O 2.64Å; K161-P166 VanDerWaalsContact O-CA 3.29Å; K161-P166 WeakPolarHBondContact O-CA 3.4Å
167D91.8Very high93.2Very high85 Ų8541.4 Ų41.446%0.45521%0.208SC..THydrogen-bonded Turntrans-83.8-5.9-179.968.2-48.3000114.1W165 R169 R200W165-D167 PolarHBondContact O-N 2.83Å; W165-D167 VanDerWaalsContact O-N 3.12Å; D167-R169 VanDerWaalsContact O-CG 3.27Å; D167-R169 WeakPolarHBondContact O-CG 3.49Å; D167-R169 PolarHBondContact O-N 3.38Å; D167-R200 VanDerWaalsContact CG-NH1 3.27Å; D167-R200 IonicContact OD1-NH1 3.55Å; D167-R200 PolarHBondContact OD1-NH1 3.06Å; D167-R200 VanDerWaalsContact OD1-NH1 3.16Å; D167-R200 IonicContact OD2-CZ 3.56Å; D167-R200 VanDerWaalsContact OD2-CZ 3.28Å; D167-R200 IonicContact OD2-NH1 2.98Å; D167-R200 PolarHBondContact OD2-NH1 3.49Å; D167-R200 IonicContact OD2-NH2 2.89Å; D167-R200 PolarHBondContact OD2-NH2 2.92Å
168L91.6Very high93.2Very high0 Ų042.2 Ų42.20%022%0.215CC..  trans-60.9128.7179.6-175.566.5000111.7L157 C160 K161 W165 E173 V174L157-L168 HydrophobicContact CD1-CD2 3.44Å; L157-L168 VanDerWaalsContact CD1-CD2 3.44Å; L157-L168 HydrophobicContact CD1-CG 3.71Å; C160-L168 HydrophobicContact CB-CD2 3.75Å; K161-L168 PolarHBondContact NZ-O 2.87Å; W165-L168 HydrophobicContact CB-CB 3.95Å; W165-L168 HydrophobicContact CE3-CD2 4.19Å; W165-L168 WeakPolarHBondContact O-CB 3.43Å; W165-L168 PolarHBondContact O-N 2.73Å; L168-E173 HydrophobicContact CD1-CB 3.7Å; L168-E173 HydrophobicContact CD1-CG 4.46Å; L168-V174 HydrophobicContact CD1-CG1 3.79Å; L168-V174 HydrophobicContact CD2-CG1 4.13Å
169R88.3Confident93Very high187 Ų18744 Ų4471%0.70623%0.228SC*.  trans-110.6-48-173.1-50.9-177.1178.9-170.4-2112.1D167 E173D167-R169 VanDerWaalsContact O-CG 3.27Å; D167-R169 WeakPolarHBondContact O-CG 3.49Å; D167-R169 PolarHBondContact O-N 3.38Å; R169-E173 WeakPolarHBondContact CA-OE1 3.33Å; R169-E173 VanDerWaalsContact CB-OE1 3.28Å; R169-E173 WeakPolarHBondContact CB-OE1 3.37Å; R169-E173 PolarHBondContact N-OE1 3.47Å
170H87.8Confident93Very high116 Ų11644.3 Ų44.354%0.53723%0.229SC..  trans-127153.9-171.3-56.996.7000112.5S172 E173H170-S172 WeakPolarHBondContact CB-OG 3.31Å; H170-S172 PolarHBondContact O-N 3.16Å; H170-E173 PolarHBondContact N-OE1 3.15Å; H170-E173 PolarHBondContact O-N 3.11Å
171S89.1Confident92.8Very high82 Ų8250.3 Ų50.357%0.57326%0.258SS*.G310 helixtrans-66.7-20.3174.855.30000113.4E173 V174S171-E173 PolarHBondContact O-N 3.24Å; S171-V174 WeakPolarHBondContact O-CG2 3.48Å; S171-V174 PolarHBondContact O-N 3.21Å
172S92.1Very high92.6Very high89 Ų8950.2 Ų50.262%0.62226%0.26SS*.G310 helixtrans-69.2-19.6175.8510000113.3H170 V174 L201H170-S172 WeakPolarHBondContact CB-OG 3.31Å; H170-S172 PolarHBondContact O-N 3.16Å; S172-V174 PolarHBondContact O-N 3.36Å; S172-L201 WeakPolarHBondContact O-CD1 3.22Å
173E94.3Very high92.5Very high25 Ų2553.3 Ų53.312%0.11727%0.271CS..G310 helixtrans-77.6-7.1178-66176.1-105.900112.7L168 R169 H170 S171 R200 L201L168-E173 HydrophobicContact CD1-CB 3.7Å; L168-E173 HydrophobicContact CD1-CG 4.46Å; R169-E173 WeakPolarHBondContact CA-OE1 3.33Å; R169-E173 VanDerWaalsContact CB-OE1 3.28Å; R169-E173 WeakPolarHBondContact CB-OE1 3.37Å; R169-E173 PolarHBondContact N-OE1 3.47Å; H170-E173 PolarHBondContact N-OE1 3.15Å; H170-E173 PolarHBondContact O-N 3.11Å; S171-E173 PolarHBondContact O-N 3.24Å; E173-R200 CarbonylContact O-C 3.56Å; E173-R200 WeakPolarHBondContact O-CA 3.46Å; E173-R200 WeakPolarHBondContact O-CG 3.44Å; E173-R200 IonicContact OE2-CZ 3.16Å; E173-R200 IonicContact OE2-NE 2.69Å; E173-R200 PolarHBondContact OE2-NE 3.02Å; E173-R200 IonicContact OE2-NH2 3.28Å; E173-R200 PolarHBondContact OE2-NH2 3.39Å; E173-L201 PolarHBondContact O-N 3.21Å
174V95.4Very high91.9Very high24 Ų2456.5 Ų56.515%0.14531%0.307CS..EExtended strand (participates in β ladder)trans-127.8145.8-175.9-67.40000111.9W165 L168 S171 S172 L198 S199W165-V174 HydrophobicContact CE3-CG1 4.15Å; W165-V174 HydrophobicContact CZ3-CG1 3.75Å; L168-V174 HydrophobicContact CD1-CG1 3.79Å; L168-V174 HydrophobicContact CD2-CG1 4.13Å; S171-V174 WeakPolarHBondContact O-CG2 3.48Å; S171-V174 PolarHBondContact O-N 3.21Å; S172-V174 PolarHBondContact O-N 3.36Å; V174-L198 HydrophobicContact CB-CD2 4.4Å; V174-L198 HydrophobicContact CG2-CD2 4.26Å; V174-S199 CarbonylContact C-O 3.56Å; V174-S199 WeakPolarHBondContact CA-O 3.41Å; V174-S199 WeakPolarHBondContact CB-O 3.18Å
175K94.8Very high91.5Very high28 Ų2861.8 Ų61.812%0.12233%0.331CS..EExtended strand (participates in β ladder)trans-119.8151.8169.270.6170.7-61.8-172.40111.8L198 S199 L201 E326 W331K175-L198 CarbonylContact O-C 3.58Å; K175-L198 WeakPolarHBondContact O-CA 3.33Å; K175-S199 VanDerWaalsContact CG-OG 3.22Å; K175-S199 WeakPolarHBondContact CG-OG 3.29Å; K175-S199 PolarHBondContact N-O 3.4Å; K175-S199 PolarHBondContact O-N 3.27Å; K175-L201 HydrophobicContact CB-CD2 3.89Å; K175-L201 HydrophobicContact CD-CD2 3.69Å; K175-L201 HydrophobicContact CG-CD2 3.65Å; K175-E326 IonicContact NZ-OE1 2.73Å; K175-E326 PolarHBondContact NZ-OE1 2.69Å; K175-E326 IonicContact NZ-OE2 2.97Å; K175-E326 PolarHBondContact NZ-OE2 3.16Å; K175-W331 HydrophobicContact CD-CD2 4.15Å; K175-W331 HydrophobicContact CD-CE3 3.71Å; K175-W331 HydrophobicContact CD-CH2 4.09Å; K175-W331 HydrophobicContact CD-CZ2 4.48Å; K175-W331 HydrophobicContact CD-CZ3 3.7Å; K175-W331 VanDerWaalsContact NZ-CG 3.27Å
176R95.5Very high90.8Very high53 Ų5369 Ų6920%0.237%0.369CS..EExtended strand (participates in β ladder)trans-73.3137.3172.1-162.869.664.9164.60.9109.9C180 Y183 C192 H197 L198R176-C180 HydrophobicContact CG-CB 3.92Å; R176-Y183 HydrophobicContact CB-CD2 4.08Å; R176-Y183 HydrophobicContact CG-CD2 4.21Å; R176-Y183 WeakPolarHBondContact O-CD2 3.45Å; R176-Y183 WeakPolarHBondContact O-CE2 3.41Å; R176-C192 PolarHBondContact NH1-O 3.13Å; R176-C192 PolarHBondContact NH2-O 3.12Å; R176-H197 VanDerWaalsContact CD-O 3.29Å; R176-H197 WeakPolarHBondContact CD-O 3.5Å; R176-L198 HydrophobicContact CB-CD2 4.45Å
177L95Very high90.2Very high5 Ų570.3 Ų70.33%0.02637%0.374CS..  trans-84.7147.9174.9-66.6170.5000111C179 C180 H197 S199 Y333L177-C179 PolarHBondContact O-N 2.72Å; L177-C180 WeakPolarHBondContact O-CB 3.45Å; L177-C180 PolarHBondContact O-N 2.89Å; L177-H197 PolarHBondContact N-O 2.79Å; L177-S199 WeakPolarHBondContact CD2-OG 3.43Å; L177-Y333 HydrophobicContact CD1-CD1 3.75Å; L177-Y333 HydrophobicContact CD1-CE1 3.4Å; L177-Y333 VanDerWaalsContact CD1-CE1 3.4Å; L177-Y333 HydrophobicContact CD1-CE2 4.21Å; L177-Y333 HydrophobicContact CD1-CG 4.3Å; L177-Y333 HydrophobicContact CD2-CD1 3.8Å; L177-Y333 HydrophobicContact CD2-CD2 4.09Å; L177-Y333 HydrophobicContact CD2-CE1 4.31Å; L177-Y333 HydrophobicContact CD2-CG 3.69Å; L177-Y333 HydrophobicContact CG-CD1 4.44Å
178C91.6Very high89.4Confident33 Ų3372 Ų7222%0.22339%0.39CS..THydrogen-bonded Turntrans-64.7-19.3179.964.80000113.9C180 Y183 T324C178-C180 PolarHBondContact O-N 2.98Å; C178-Y183 HydrophobicContact CB-CD1 4.22Å; C178-Y183 HydrophobicContact CB-CE1 4.29Å; C178-Y183 HydrophobicContact CB-CG 4.38Å; C178-T324 HydrophobicContact CB-CG2 3.77Å; C178-T324 WeakPolarHBondContact SG-CG2 3.42Å; C178-T324 PolarHBondContact SG-OG1 3.42Å
179C88.8Confident89.1Confident42 Ų4279.2 Ų79.228%0.28442%0.423SS..THydrogen-bonded Turntrans-70.7-9173.469.50000113.5L177L177-C179 PolarHBondContact O-N 2.72Å
180C93.8Very high89.1Confident5 Ų573.3 Ų73.33%0.03441%0.405CS..SBendtrans-82.3128.7174.9-178.50000110.1R176 L177 C178 S182 Y183 H197R176-C180 HydrophobicContact CG-CB 3.92Å; L177-C180 WeakPolarHBondContact O-CB 3.45Å; L177-C180 PolarHBondContact O-N 2.89Å; C178-C180 PolarHBondContact O-N 2.98Å; C180-S182 PolarHBondContact O-N 2.69Å; C180-S182 VanDerWaalsContact O-N 3.11Å; C180-S182 PolarHBondContact SG-N 3.34Å; C180-Y183 WeakPolarHBondContact O-CB 3.34Å; C180-Y183 PolarHBondContact O-N 3.46Å; C180-H197 HydrophobicContact CB-CB 3.92Å
181E92.3Very high89.3Confident127 Ų12769.8 Ų69.859%0.59339%0.392SS*.THydrogen-bonded Turntrans-63-20.8177.4-60.3167.4-174.100113.3C125 K185C125-E181 PolarHBondContact SG-N 3.07Å; E181-K185 WeakPolarHBondContact O-CD 3.41Å; E181-K185 WeakPolarHBondContact O-CE 3.48Å; E181-K185 PolarHBondContact O-NZ 3.35Å
182S89.8Confident89.6Confident26 Ų2665.9 Ų65.918%0.18237%0.365CS..THydrogen-bonded Turntrans-88.40.9173.4-44.70000113.6C180 G184 K185C180-S182 PolarHBondContact O-N 2.69Å; C180-S182 VanDerWaalsContact O-N 3.11Å; C180-S182 PolarHBondContact SG-N 3.34Å; S182-G184 PolarHBondContact O-N 3.25Å; S182-K185 PolarHBondContact O-N 3.37Å
183Y91.1Very high89.7Confident78 Ų7861.7 Ų61.731%0.30634%0.335SS..THydrogen-bonded Turntrans-61.8132.4176.7178.5-95.5000110.5R176 C178 C180 K185 E326R176-Y183 HydrophobicContact CB-CD2 4.08Å; R176-Y183 HydrophobicContact CG-CD2 4.21Å; R176-Y183 WeakPolarHBondContact O-CD2 3.45Å; R176-Y183 WeakPolarHBondContact O-CE2 3.41Å; C178-Y183 HydrophobicContact CB-CD1 4.22Å; C178-Y183 HydrophobicContact CB-CE1 4.29Å; C178-Y183 HydrophobicContact CB-CG 4.38Å; C180-Y183 WeakPolarHBondContact O-CB 3.34Å; C180-Y183 PolarHBondContact O-N 3.46Å; Y183-K185 PolarHBondContact O-N 3.29Å; Y183-K185 VanDerWaalsContact O-N 3.11Å; Y183-E326 WeakPolarHBondContact OH-CG 3.48Å; Y183-E326 PolarHBondContact OH-OE2 3.18Å
184G85Confident89.8Confident78 Ų7860.6 Ų60.680%0.80433%0.33SS*.THydrogen-bonded Turntrans67.90.7-176.200000115.4S182S182-G184 PolarHBondContact O-N 3.25Å
185K86.6Confident89.9Confident146 Ų14659.5 Ų59.564%0.63532%0.323SS*.  trans-106.9128.9-179.6-61.6-179.7-170.3160.60110.4E181 S182 Y183E181-K185 WeakPolarHBondContact O-CD 3.41Å; E181-K185 WeakPolarHBondContact O-CE 3.48Å; E181-K185 PolarHBondContact O-NZ 3.35Å; S182-K185 PolarHBondContact O-N 3.37Å; Y183-K185 PolarHBondContact O-N 3.29Å; Y183-K185 VanDerWaalsContact O-N 3.11Å
186I79.4Confident89.9Confident172 Ų17259 Ų5988%0.88232%0.322SS*.  trans-93.6109169.7-57.9174.5000106.8
187N79.7Confident90Very high75 Ų7556.9 Ų56.940%0.40131%0.314SS..  trans-113.9113.2169.5-175.4-32.7000108.1E189 L190N187-E189 VanDerWaalsContact C-N 3.26Å; N187-E189 PolarHBondContact O-N 3.3Å; N187-E189 PolarHBondContact OD1-N 3.32Å; N187-L190 WeakPolarHBondContact CB-O 3.43Å; N187-L190 PolarHBondContact OD1-N 3.41Å
188P76Confident90Very high122 Ų12257.1 Ų57.179%0.79232%0.315SS*.SBendtrans-70.5-22.1-17727.3-33.1000113.2
189E83.9Confident90.3Very high150 Ų15055.5 Ų55.570%0.70130%0.304SS*.SBendtrans-91.7-45.2-176-60.9-174.2167.300112.4P129 N187P129-E189 WeakPolarHBondContact CA-O 3.26Å; N187-E189 VanDerWaalsContact C-N 3.26Å; N187-E189 PolarHBondContact O-N 3.3Å; N187-E189 PolarHBondContact OD1-N 3.32Å
190L90.1Very high90.6Very high64 Ų6454.9 Ų54.934%0.33530%0.296SS..EExtended strand (participates in β ladder)trans-125.8128-172.3-65.3177.2000111.8L127 L128 P129 N187L127-L190 HydrophobicContact CB-CB 4.34Å; L127-L190 HydrophobicContact CB-CD1 4.41Å; L128-L190 WeakPolarHBondContact O-CA 3.35Å; P129-L190 HydrophobicContact CG-CD2 4.45Å; N187-L190 WeakPolarHBondContact CB-O 3.43Å; N187-L190 PolarHBondContact OD1-N 3.41Å
191V91.7Very high90.7Very high42 Ų4257 Ų5726%0.25531%0.307SS..EExtended strand (participates in β ladder)trans-117.3137.2177175.90000109.6L128 P156 C193L128-V191 PolarHBondContact N-O 3.36Å; L128-V191 PolarHBondContact O-N 3.46Å; P156-V191 HydrophobicContact CG-CG1 3.56Å; V191-C193 PolarHBondContact O-N 3.25Å; V191-C193 PolarHBondContact O-SG 3.1Å
192C94.8Very high90.8Very high0 Ų052.2 Ų52.20%029%0.287CS..EExtended strand (participates in β ladder)trans-65.9126.6170.7-178.80000110.5C125 L126 L127 R176 H197C125-C192 HydrophobicContact CB-CB 4.41Å; L126-C192 CarbonylContact O-C 3.59Å; L126-C192 WeakPolarHBondContact O-CA 3.36Å; L127-C192 HydrophobicContact CD2-CB 4.06Å; R176-C192 PolarHBondContact NH1-O 3.13Å; R176-C192 PolarHBondContact NH2-O 3.12Å; C192-H197 PolarHBondContact SG-ND1 2.99Å
193C94.8Very high90.3Very high1 Ų158.3 Ų58.31%0.00731%0.313CS..  trans-116.313.6-176.6-67.50000111.8L126 L128 L155 L159 V191 P195L126-C193 HydrophobicContact CD2-CB 4.18Å; L126-C193 HydrophobicContact CG-CB 4.28Å; L126-C193 WeakPolarHBondContact O-CB 3.34Å; L126-C193 PolarHBondContact O-N 3.45Å; L128-C193 HydrophobicContact CB-CB 4.46Å; L128-C193 HydrophobicContact CD1-CB 3.73Å; L128-C193 HydrophobicContact CG-CB 4.22Å; L155-C193 HydrophobicContact CG-CB 4.37Å; L159-C193 HydrophobicContact CD1-CB 3.8Å; L159-C193 VanDerWaalsContact CD1-O 3.28Å; L159-C193 WeakPolarHBondContact CD1-O 3.47Å; V191-C193 PolarHBondContact O-N 3.25Å; V191-C193 PolarHBondContact O-SG 3.1Å; C193-P195 VanDerWaalsContact O-CD 3.27Å; C193-P195 WeakPolarHBondContact O-CD 3.44Å
194N96.6Very high89.5Confident2 Ų258.5 Ų58.51%0.01132%0.319CS..  trans-70.3117.2173.6-177.6-27.8000109.1A114 T123 A124 L126 H196 H197A114-N194 WeakPolarHBondContact CB-ND2 3.45Å; A114-N194 WeakPolarHBondContact CB-OD1 3.5Å; T123-N194 PolarHBondContact OG1-ND2 3.27Å; A124-N194 PolarHBondContact O-ND2 2.9Å; L126-N194 HydrophobicContact CB-CB 4.24Å; N194-H196 PolarHBondContact O-N 3.11Å; N194-H196 PolarHBondContact OD1-N 3.02Å; N194-H197 HydrophobicContact CB-CB 4.21Å; N194-H197 PolarHBondContact O-N 2.69Å; N194-H197 VanDerWaalsContact O-N 3.1Å
195P96.1Very high88.3Confident0 Ų063.4 Ų63.40%032%0.321CS..G310 helixtrans-60.7-28.2-177.8-2535.9000113.7L111 L159 F163 R164 C193 H197L111-P195 HydrophobicContact CD1-CG 4.13Å; L159-P195 HydrophobicContact CB-CG 3.98Å; F163-P195 HydrophobicContact CB-CB 4.45Å; F163-P195 HydrophobicContact CB-CG 4.22Å; F163-P195 HydrophobicContact CD2-CG 4.11Å; R164-P195 WeakPolarHBondContact CD-O 3.25Å; R164-P195 HydrophobicContact CG-CB 3.95Å; R164-P195 PolarHBondContact NH1-O 3.44Å; C193-P195 VanDerWaalsContact O-CD 3.27Å; C193-P195 WeakPolarHBondContact O-CD 3.44Å; P195-H197 VanDerWaalsContact C-N 3.3Å
196H95.6Very high86.3Confident19 Ų1961.2 Ų61.29%0.08832%0.323CS..G310 helixtrans-85.41.7-179.4-69.9-77.5000114.3A114 G119 N194A114-H196 PolarHBondContact O-CD2 2.85Å; A114-H196 PolarHBondContact O-NE2 2.81Å; G119-H196 PolarHBondContact N-CE1 2.91Å; G119-H196 PolarHBondContact N-ND1 2.96Å; N194-H196 PolarHBondContact O-N 3.11Å; N194-H196 PolarHBondContact OD1-N 3.02Å
197H96.4Very high84.9Confident7 Ų757.7 Ų57.73%0.03231%0.312CS..G310 helixtrans-95.41.3169.5-72178.2000113.3T123 C125 R176 L177 C180 C192 N194 P195T123-H197 PolarHBondContact O-CE1 2.83Å; T123-H197 VanDerWaalsContact O-CE1 3.27Å; T123-H197 PolarHBondContact O-NE2 3.46Å; C125-H197 VanDerWaalsContact SG-CE1 3.57Å; R176-H197 VanDerWaalsContact CD-O 3.29Å; R176-H197 WeakPolarHBondContact CD-O 3.5Å; L177-H197 PolarHBondContact N-O 2.79Å; C180-H197 HydrophobicContact CB-CB 3.92Å; C192-H197 PolarHBondContact SG-ND1 2.99Å; N194-H197 HydrophobicContact CB-CB 4.21Å; N194-H197 PolarHBondContact O-N 2.69Å; N194-H197 VanDerWaalsContact O-N 3.1Å; P195-H197 VanDerWaalsContact C-N 3.3Å
198L96.4Very high83.1Confident10 Ų1058.6 Ų58.65%0.05232%0.322CS..EExtended strand (participates in β ladder)trans-111.6152171.7-71.5159.5000109P156 C160 R164 V174 K175 R176P156-L198 HydrophobicContact CB-CD1 3.99Å; C160-L198 WeakPolarHBondContact SG-CD1 3.2Å; R164-L198 PolarHBondContact NH1-O 3.12Å; V174-L198 HydrophobicContact CB-CD2 4.4Å; V174-L198 HydrophobicContact CG2-CD2 4.26Å; K175-L198 CarbonylContact O-C 3.58Å; K175-L198 WeakPolarHBondContact O-CA 3.33Å; R176-L198 HydrophobicContact CB-CD2 4.45Å
199S96.9Very high81.4Confident0 Ų055.6 Ų55.60%030%0.303CS..EExtended strand (participates in β ladder)trans-128146.5169.757.40000108.6V174 K175 L177 Y333 S365V174-S199 CarbonylContact C-O 3.56Å; V174-S199 WeakPolarHBondContact CA-O 3.41Å; V174-S199 WeakPolarHBondContact CB-O 3.18Å; K175-S199 VanDerWaalsContact CG-OG 3.22Å; K175-S199 WeakPolarHBondContact CG-OG 3.29Å; K175-S199 PolarHBondContact N-O 3.4Å; K175-S199 PolarHBondContact O-N 3.27Å; L177-S199 WeakPolarHBondContact CD2-OG 3.43Å; S199-Y333 VanDerWaalsContact CB-CD2 3.49Å; S199-S365 WeakPolarHBondContact CB-OG 3.47Å; S199-S365 WeakPolarHBondContact OG-CB 3.41Å; S199-S365 PolarHBondContact OG-OG 3.16Å
200R96.6Very high79.7Confident28 Ų2854.5 Ų54.511%0.10631%0.308CS..EExtended strand (participates in β ladder)trans-78.5142.7173.9-163.7164.5179-171.34.6109.2W165 D167 E173 G363 F364 S365W165-R200 HydrophobicContact CD2-CB 4.34Å; W165-R200 HydrophobicContact CE3-CB 4.42Å; W165-R200 HydrophobicContact CH2-CB 4.06Å; W165-R200 VanDerWaalsContact CH2-N 3.33Å; W165-R200 HydrophobicContact CZ2-CB 3.93Å; W165-R200 HydrophobicContact CZ3-CB 4.29Å; D167-R200 VanDerWaalsContact CG-NH1 3.27Å; D167-R200 IonicContact OD1-NH1 3.55Å; D167-R200 PolarHBondContact OD1-NH1 3.06Å; D167-R200 VanDerWaalsContact OD1-NH1 3.16Å; D167-R200 IonicContact OD2-CZ 3.56Å; D167-R200 VanDerWaalsContact OD2-CZ 3.28Å; D167-R200 IonicContact OD2-NH1 2.98Å; D167-R200 PolarHBondContact OD2-NH1 3.49Å; D167-R200 IonicContact OD2-NH2 2.89Å; D167-R200 PolarHBondContact OD2-NH2 2.92Å; E173-R200 CarbonylContact O-C 3.56Å; E173-R200 WeakPolarHBondContact O-CA 3.46Å; E173-R200 WeakPolarHBondContact O-CG 3.44Å; E173-R200 IonicContact OE2-CZ 3.16Å; E173-R200 IonicContact OE2-NE 2.69Å; E173-R200 PolarHBondContact OE2-NE 3.02Å; E173-R200 IonicContact OE2-NH2 3.28Å; E173-R200 PolarHBondContact OE2-NH2 3.39Å; R200-G363 PolarHBondContact N-O 3.49Å; R200-F364 HydrophobicContact CB-CD1 3.84Å; R200-F364 HydrophobicContact CB-CD2 4.36Å; R200-F364 HydrophobicContact CB-CE1 3.92Å; R200-F364 HydrophobicContact CB-CE2 4.41Å; R200-F364 HydrophobicContact CB-CG 4.09Å; R200-F364 HydrophobicContact CB-CZ 4.22Å; R200-F364 HydrophobicContact CG-CD1 3.97Å; R200-F364 HydrophobicContact CG-CE1 3.63Å; R200-F364 HydrophobicContact CG-CZ 4.05Å; R200-F364 CarbonylContact O-C 3.48Å; R200-F364 WeakPolarHBondContact O-CA 3.44Å; R200-S365 PolarHBondContact O-N 3.49Å
201L95.9Very high77.6Confident50 Ų5060.4 Ų60.426%0.26233%0.327SS..EExtended strand (participates in β ladder)trans-78.4133.2177.2-64.2177.5000109.2S172 E173 K175 E203 W331S172-L201 WeakPolarHBondContact O-CD1 3.22Å; E173-L201 PolarHBondContact O-N 3.21Å; K175-L201 HydrophobicContact CB-CD2 3.89Å; K175-L201 HydrophobicContact CD-CD2 3.69Å; K175-L201 HydrophobicContact CG-CD2 3.65Å; L201-E203 PolarHBondContact O-N 3.42Å; L201-W331 HydrophobicContact CD2-CH2 3.83Å; L201-W331 HydrophobicContact CD2-CZ3 3.61Å
202C92.8Very high75.5Confident27 Ų2762.2 Ų62.218%0.18234%0.342CS..PPolyproline II helixtrans-70.9117.5169.7-164.90000108L204 S365 I366C202-L204 PolarHBondContact O-N 3.02Å; C202-S365 WeakPolarHBondContact CB-O 3.39Å; C202-S365 PolarHBondContact N-O 2.73Å; C202-I366 HydrophobicContact CB-CB 3.93Å; C202-I366 HydrophobicContact CB-CD1 4.39Å; C202-I366 HydrophobicContact CB-CG1 4.21Å
203E80.3Confident73Confident154 Ų15473 Ų7372%0.7238%0.382SS*.PPolyproline II helixtrans-70.2120.9170.9-64.7-177.1179.800108L201 E205L201-E203 PolarHBondContact O-N 3.42Å; E203-E205 PolarHBondContact O-N 3.48Å; E203-E205 VanDerWaalsContact O-N 3.09Å
204L74.3Confident70.2Confident82 Ų8283 Ų8343%0.42942%0.422SS..  trans-72.2100.8167.3-73.9164.5000105.9C202 S206 L347 H358 I366C202-L204 PolarHBondContact O-N 3.02Å; L204-S206 PolarHBondContact O-N 3.48Å; L204-S206 VanDerWaalsContact O-N 3.12Å; L204-L347 HydrophobicContact CD2-CD2 4.32Å; L204-H358 WeakPolarHBondContact CD2-CE1 3.49Å; L204-H358 WeakPolarHBondContact CD2-ND1 3.44Å; L204-I366 HydrophobicContact CD2-CD1 4.21Å
205E58.8Low67.4Low181 Ų18187.8 Ų87.885%0.84645%0.453SS*.PPolyproline II helixtrans-55.2121.6177.6-159.8167.9-162.600107.7E203E203-E205 PolarHBondContact O-N 3.48Å; E203-E205 VanDerWaalsContact O-N 3.09Å
206S45.8Very low64.7Low99 Ų9996.7 Ų96.769%0.69250%0.496SS*.PPolyproline II helixtrans-58.8133.5174.5-61.80000106.9L204L204-S206 PolarHBondContact O-N 3.48Å; L204-S206 VanDerWaalsContact O-N 3.12Å
207P49.6Very low62Low98 Ų98102 Ų10264%0.63653%0.526SS*.PPolyproline II helixtrans-51.4139178.221.4-31.5000108.4
208P42.3Very low59.4Low95 Ų95111.3 Ų111.362%0.61757%0.566SS**PPolyproline II helixtrans-53.1137.9-178.421.8-32000108.3
209P40.2Very low56.6Low59 Ų59119.2 Ų119.238%0.38361%0.608SS.*PPolyproline II helixtrans-54.9149.3-17521-32.5000110.7Y211 S212P209-Y211 HydrophobicContact CB-CD1 4.11Å; P209-Y211 HydrophobicContact CB-CE1 3.47Å; P209-Y211 VanDerWaalsContact CB-CE1 3.47Å; P209-Y211 HydrophobicContact CB-CE2 4.3Å; P209-Y211 HydrophobicContact CG-CE1 3.77Å; P209-Y211 HydrophobicContact CG-CE2 3.74Å; P209-Y211 WeakPolarHBondContact CG-OH 3.45Å; P209-Y211 PolarHBondContact O-N 2.88Å; P209-S212 PolarHBondContact O-N 3.42Å
210P47.1Very low53.4Low126 Ų126128.7 Ų128.782%0.81865%0.649SS**THydrogen-bonded Turntrans-61.92.8-158.819-31.9000116.9
211Y47.6Very low50.5Low189 Ų189133.2 Ų133.274%0.74168%0.682SS**THydrogen-bonded Turntrans-90.92.1176.344.1-98000114.8P209 R213P209-Y211 HydrophobicContact CB-CD1 4.11Å; P209-Y211 HydrophobicContact CB-CE1 3.47Å; P209-Y211 VanDerWaalsContact CB-CE1 3.47Å; P209-Y211 HydrophobicContact CB-CE2 4.3Å; P209-Y211 HydrophobicContact CG-CE1 3.77Å; P209-Y211 HydrophobicContact CG-CE2 3.74Å; P209-Y211 WeakPolarHBondContact CG-OH 3.45Å; P209-Y211 PolarHBondContact O-N 2.88Å; Y211-R213 PolarHBondContact O-N 3.02Å
212S46.5Very low47.5Very low79 Ų79137.5 Ų137.555%0.55271%0.71SS**  trans-81.433.5172.7-53.60000113.6P209P209-S212 PolarHBondContact O-N 3.42Å
213R42.4Very low44.8Very low226 Ų226140.4 Ų140.485%0.85374%0.736SS**  trans-83.3114.3167.7-73.5-154.5-173.1170.14.7108.9Y211Y211-R213 PolarHBondContact O-N 3.02Å
214Y36Very low42.4Very low213 Ų213141 Ų14184%0.83575%0.745SS**  trans-56143.9157.5-91.5-95.2000109.5M216Y214-M216 PolarHBondContact O-N 3.5Å; Y214-M216 VanDerWaalsContact O-N 3.14Å
215P37.8Very low40.2Very low102 Ų102143 Ų14366%0.66276%0.764SS**  trans-64.2116-176.9-1629.1000110.4D217P215-D217 PolarHBondContact O-N 3.28Å
216M38.7Very low39.5Very low186 Ų186139.1 Ų139.192%0.91676%0.755SS**  trans-85.872.1162.3-69.2-73.4-79.100107.5Y214Y214-M216 PolarHBondContact O-N 3.5Å; Y214-M216 VanDerWaalsContact O-N 3.14Å
217D40.6Very low38.8Very low132 Ų132142 Ų14271%0.70676%0.762SS**  trans-103.7108.7163.6-73.3-39.7000107.3P215P215-D217 PolarHBondContact O-N 3.28Å
218F40.6Very low37.8Very low201 Ų201141.9 Ų141.988%0.88277%0.769SS**  trans150.358.9151.6-81.3-65.1000110.8
219L37.6Very low37.6Very low177 Ų177143.8 Ų143.893%0.92778%0.779SS**  trans-140.988.3143.5-73-178.4000107.6
220K30.3Very low37.4Very low198 Ų198146.7 Ų146.786%0.86180%0.797SS**  trans-76.4126.6169.2-147.8173.5-171.4177.30107.1
221P35.3Very low36.6Very low123 Ų123145.6 Ų145.680%0.79979%0.793SS**  trans-83.2117.7175.726.6-21.2000109.3
222T32.9Very low35.8Very low140 Ų140142.6 Ų142.686%0.85980%0.799SS**  trans-103110.6157.932.60000107.8
223A36.3Very low35.2Very low88 Ų88143 Ų14373%0.72781%0.808SS**  trans-65.1137.3163.300000109.6
224D29.1Very low34.6Very low168 Ų168140.8 Ų140.890%0.89881%0.807SS**  -167.3139.7126-92-33.9000110.2
225C28.2Very low34.3Very low123 Ų123137.2 Ų137.283%0.83181%0.808SS**  trans-79-167.2-168.1-123.30000113.5
226P44.3Very low33.8Very low100 Ų100135.9 Ų135.965%0.64981%0.813SS**  cis-138.4176.1-13.428.2-4000116.4
227D31.3Very low33.2Very low160 Ų160130.5 Ų130.586%0.85681%0.805SS**  trans53.7120.7150.2-69.4-31.4000123.4
228A29.5Very low32.7Very low94 Ų94130.2 Ų130.278%0.77781%0.808SS**  -176.1120.1117.700000111.6
229V37.3Very low32.1Very low135 Ų135127.6 Ų127.682%0.81880%0.803SS**  trans-82.8143.1156.6-177.50000106.9
230P35.3Very low31.8Very low120 Ų120129.8 Ų129.878%0.77980%0.801SS**  -137.5148.4107.522.4-2.6000114
231S30.3Very low31.7Very low104 Ų104128.1 Ų128.173%0.72780%0.801SS**  trans-62.8143.6164.8-1800000111.5
232S31.7Very low31.4Very low125 Ų125126.7 Ų126.787%0.87480%0.799SS**  trans-166.6146.7144-76.50000110.5
233A32.7Very low31.4Very low89 Ų89126.5 Ų126.574%0.73680%0.8SS**  trans-91.3179.4-162.800000114.3
234E31Very low31.1Very low178 Ų178126 Ų12683%0.83280%0.804SS**  trans115100.1144.6-52.6-145.3136.500118.6
235T29.8Very low31.1Very low139 Ų139121.4 Ų121.485%0.85380%0.796SS**  77.6125.2120.8-31.70000121.2
236G26.8Very low31.3Very low74 Ų74124 Ų12476%0.76380%0.8SS**  trans168.241.6162.200000116.5
237G26.1Very low30.8Very low73 Ų73124 Ų12475%0.75380%0.803SS**  trans-91.3116.1173.400000111.7
238T29.9Very low30.7Very low126 Ų126121.7 Ų121.777%0.77379%0.791SS**  trans-94.2106.2168.447.80000110.1
239N28.4Very low30.8Very low146 Ų146122.7 Ų122.778%0.78179%0.792SS**  trans-72.2132.9165.9-71-34000110
240Y30.5Very low30.9Very low223 Ų223124.6 Ų124.688%0.87579%0.792SS**  trans-113.2111.5152.8-76.5-76.4000108.3
241L29.1Very low30.8Very low163 Ų163126 Ų12685%0.85379%0.792SS**PPolyproline II helixtrans-66.7130.8174.8-70.1155.8000109.9
242A28.7Very low30.9Very low92 Ų92128.4 Ų128.476%0.7680%0.796SS**PPolyproline II helixtrans-78.1133.5159.900000109.1
243P33.9Very low31.1Very low136 Ų136130.6 Ų130.688%0.88380%0.797SS**PPolyproline II helixtrans-76.3126.6170-11.427.5000110.5
244G30Very low30.8Very low79 Ų79133.6 Ų133.681%0.81480%0.796SS**PPolyproline II helixtrans-98.4154.9168.900000112.8
245G29.1Very low31.2Very low70 Ų70131.7 Ų131.772%0.72280%0.798SS**  trans100.7126.2173.700000112.4
246L31Very low31.6Very low177 Ų177128 Ų12893%0.92779%0.788SS**  cis-154.1149.239-64.6169.3000113.4
247S33.4Very low32.6Very low101 Ų101131.5 Ų131.571%0.70679%0.79SS**  trans-11.6153.4160.6-124.40000123.7
248D30.3Very low33.9Very low112 Ų112135.7 Ų135.760%0.59978%0.783SS**  trans73.6103.3141.6-78-49.8000121.4
249S30.9Very low36.5Very low114 Ų114132.2 Ų132.280%0.79776%0.763SS**  -138.891.6126.6-67.80000108.4L251S249-L251 VanDerWaalsContact C-N 3.28Å; S249-L251 PolarHBondContact O-N 2.87Å
250Q40.2Very low39.4Very low175 Ų175128 Ų12882%0.81874%0.739SS**  trans-56.495.3155.2-70.4178-7.100108.3
251L33.3Very low42.4Very low150 Ų150118 Ų11879%0.78570%0.7SS**  trans-104.1103.3155.9-73.6177.5000106.6S249 L253S249-L251 VanDerWaalsContact C-N 3.28Å; S249-L251 PolarHBondContact O-N 2.87Å; L251-L253 PolarHBondContact O-N 3.32Å
252L31.9Very low45.5Very low155 Ų155110.3 Ų110.381%0.81266%0.659SS**  trans11.8101.3157.1-67.2166.8000114.6E254L252-E254 VanDerWaalsContact C-N 3.3Å; L252-E254 PolarHBondContact O-N 3.44Å
253L35.7Very low48.7Very low171 Ų171106.7 Ų106.790%0.89563%0.628SS**  trans-61.495.4160.3-107.881000108.2L251L251-L253 PolarHBondContact O-N 3.32Å
254E27.3Very low51.8Low152 Ų152100.2 Ų100.271%0.7159%0.586SS**  trans-67.7127.5156.1-71.9-70.8104.900107.6L252 G256L252-E254 VanDerWaalsContact C-N 3.3Å; L252-E254 PolarHBondContact O-N 3.44Å; E254-G256 PolarHBondContact O-N 3.31Å
255P38.5Very low55Low137 Ų13796.6 Ų96.689%0.8955%0.548SS*.THydrogen-bonded Turntrans-70.477.5175.3-8.623.3000110.4
256G39.2Very low58.3Low62 Ų6293.3 Ų93.364%0.63951%0.514SS*.THydrogen-bonded Turntrans-161.710.7-179.800000114.5E254 R258E254-G256 PolarHBondContact O-N 3.31Å; G256-R258 PolarHBondContact O-N 2.95Å
257D47.3Very low61.5Low148 Ų14887.4 Ų87.479%0.79148%0.479SS*.  trans-70.4105.6-172.3-156.814.9000110.2S259D257-S259 PolarHBondContact O-N 3.17Å
258R53.7Low64.6Low160 Ų16082.6 Ų82.660%0.60445%0.446SS*.  trans-63.288.6176.1-77.9179149.7-147.4-5.2108.2G256 H260 Q280 E281G256-R258 PolarHBondContact O-N 2.95Å; R258-H260 PolarHBondContact O-N 2.97Å; R258-H260 VanDerWaalsContact O-N 3.13Å; R258-Q280 HydrophobicContact CB-CG 4.47Å; R258-Q280 WeakPolarHBondContact O-CG 3.07Å; R258-Q280 PolarHBondContact O-NE2 3.18Å; R258-E281 IonicContact NH1-OE1 2.95Å; R258-E281 PolarHBondContact NH1-OE1 2.67Å
259S83.3Confident67.7Low53 Ų5380.2 Ų80.237%0.37143%0.431SS..  trans-53.9121.6176.9-173.60000108.9D257D257-S259 PolarHBondContact O-N 3.17Å
260H90.2Very high70.8Confident59 Ų5982.5 Ų82.527%0.27343%0.426SS..  trans-59.7147.9168.657.3-82.2000108.8R258 V263 C278 V279 Q280 N424R258-H260 PolarHBondContact O-N 2.97Å; R258-H260 VanDerWaalsContact O-N 3.13Å; H260-V263 VanDerWaalsContact CD2-CG2 3.47Å; H260-V263 WeakPolarHBondContact CD2-CG2 3.07Å; H260-C278 HydrophobicContact CB-CB 4.05Å; H260-V279 CarbonylContact C-O 3.41Å; H260-V279 WeakPolarHBondContact CA-O 3.29Å; H260-V279 VanDerWaalsContact CB-O 3.24Å; H260-V279 WeakPolarHBondContact CB-O 3.25Å; H260-Q280 HydrophobicContact CB-CG 4.22Å; H260-N424 PolarHBondContact CD2-ND2 2.78Å; H260-N424 PolarHBondContact NE2-ND2 3.45Å; H260-N424 PolarHBondContact O-ND2 2.91Å
261W93.3Very high73.4Confident13 Ų1378.3 Ų78.35%0.04941%0.413CS..SBendtrans-98.4-21.4179.763.8-92.7000112.3V279 E281 L323 R325 V330 F423 N424W261-V279 HydrophobicContact CZ2-CB 4.34Å; W261-V279 HydrophobicContact CZ2-CG1 3.79Å; W261-V279 PolarHBondContact N-O 3.49Å; W261-V279 PolarHBondContact NE1-O 2.88Å; W261-E281 PolarHBondContact NE1-O 2.75Å; W261-L323 HydrophobicContact CH2-CB 4.45Å; W261-R325 VanDerWaalsContact CB-NH1 3.3Å; W261-R325 HydrophobicContact CD2-CB 4.02Å; W261-R325 HydrophobicContact CE3-CB 4.07Å; W261-R325 HydrophobicContact CH2-CB 4.16Å; W261-R325 HydrophobicContact CZ2-CB 4.11Å; W261-R325 HydrophobicContact CZ3-CB 4.12Å; W261-V330 HydrophobicContact CE3-CG2 4.38Å; W261-V330 HydrophobicContact CH2-CG1 3.86Å; W261-V330 HydrophobicContact CZ3-CB 4.41Å; W261-V330 HydrophobicContact CZ3-CG1 3.71Å; W261-V330 HydrophobicContact CZ3-CG2 3.74Å; W261-F423 HydrophobicContact CE3-CD1 4.17Å; W261-F423 HydrophobicContact CE3-CE1 4.35Å; W261-F423 HydrophobicContact CZ3-CD1 4.02Å; W261-F423 AromaticContact CZ3-CE1 3.74Å; W261-F423 HydrophobicContact CZ3-CE1 3.74Å; W261-N424 PolarHBondContact O-N 2.79Å
262C95.1Very high76.4Confident0 Ų077.3 Ų77.30%040%0.399CS..EExtended strand (participates in β ladder)trans-149.7166168.572.60000112.2V279 V421 I422 F423C262-V279 PolarHBondContact O-N 2.95Å; C262-V279 WeakPolarHBondContact SG-CG2 3.48Å; C262-V421 HydrophobicContact CB-CG1 4.12Å; C262-I422 CarbonylContact C-O 3.44Å; C262-I422 WeakPolarHBondContact CA-O 3.48Å; C262-I422 VanDerWaalsContact CB-O 3.27Å; C262-I422 WeakPolarHBondContact CB-O 3.39Å; C262-F423 HydrophobicContact CB-CD1 3.61Å; C262-F423 HydrophobicContact CB-CE1 3.97Å
263V96Very high79.5Confident17 Ų1770.4 Ų70.410%0.10336%0.363CS..EExtended strand (participates in β ladder)trans-122.6134.8171.9-177.40000108.3H260 L276 Y277 I422H260-V263 VanDerWaalsContact CD2-CG2 3.47Å; H260-V263 WeakPolarHBondContact CD2-CG2 3.07Å; V263-L276 HydrophobicContact CG1-CB 3.65Å; V263-L276 HydrophobicContact CG1-CD1 4.16Å; V263-L276 HydrophobicContact CG1-CD2 4.08Å; V263-L276 HydrophobicContact CG1-CG 4.16Å; V263-Y277 WeakPolarHBondContact CA-O 3.32Å; V263-I422 PolarHBondContact N-O 3.05Å; V263-I422 PolarHBondContact O-N 2.97Å
264V97.7Very high82.3Confident0 Ų064 Ų640%034%0.338CS..EExtended strand (participates in β ladder)trans-112.3129.2178.4-173.90000110Y277 V279 L284 I286 F296 L323 L419 E420 V421V264-Y277 PolarHBondContact N-O 3.19Å; V264-Y277 PolarHBondContact O-N 3.09Å; V264-V279 HydrophobicContact CG2-CG2 4.01Å; V264-L284 HydrophobicContact CG2-CD2 4.09Å; V264-I286 HydrophobicContact CG1-CD1 4.04Å; V264-I286 HydrophobicContact CG2-CD1 4.43Å; V264-F296 HydrophobicContact CB-CD1 4.42Å; V264-F296 HydrophobicContact CB-CE1 4.38Å; V264-F296 HydrophobicContact CG1-CD1 4.12Å; V264-F296 HydrophobicContact CG1-CE1 3.99Å; V264-L323 HydrophobicContact CG2-CD1 4.07Å; V264-L419 HydrophobicContact CG1-CD2 3.96Å; V264-E420 CarbonylContact C-O 3.54Å; V264-E420 WeakPolarHBondContact CA-O 3.36Å; V264-V421 HydrophobicContact CG1-CG2 4.42Å; V264-V421 HydrophobicContact CG2-CG1 4.33Å; V264-V421 HydrophobicContact CG2-CG2 4.34Å
265A97.6Very high85.5Confident2 Ų267.2 Ų67.22%0.01734%0.344CS..EExtended strand (participates in β ladder)trans-112.3135.6170.400000110.2L276 L419 E420A265-L276 HydrophobicContact CB-CD2 3.61Å; A265-L419 VanDerWaalsContact O-CA 3.3Å; A265-L419 WeakPolarHBondContact O-CA 3.36Å; A265-E420 HydrophobicContact CB-CB 4.3Å; A265-E420 PolarHBondContact N-O 2.71Å; A265-E420 PolarHBondContact O-N 3.21Å
266Y98.4Very high88.1Confident1 Ų165.1 Ų65.10%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-103.1138.2173.7175.2-111.4000110.7E268 V273 L298 L301 R314 C417 W418 L419Y266-E268 HydrophobicContact CE1-CG 3.7Å; Y266-E268 VanDerWaalsContact CE1-OE1 3.27Å; Y266-E268 WeakPolarHBondContact CE1-OE1 3.15Å; Y266-E268 VanDerWaalsContact OH-CG 3.26Å; Y266-E268 WeakPolarHBondContact OH-CG 3.33Å; Y266-E268 PolarHBondContact OH-OE1 2.93Å; Y266-V273 HydrophobicContact CD1-CB 3.72Å; Y266-V273 HydrophobicContact CD1-CG1 4.05Å; Y266-V273 HydrophobicContact CE1-CB 3.94Å; Y266-V273 HydrophobicContact CE1-CG1 4.08Å; Y266-V273 PolarHBondContact O-N 2.84Å; Y266-L298 HydrophobicContact CD1-CD2 4.25Å; Y266-L298 HydrophobicContact CD2-CD1 3.94Å; Y266-L298 HydrophobicContact CD2-CD2 3.87Å; Y266-L298 HydrophobicContact CD2-CG 4.49Å; Y266-L298 HydrophobicContact CE2-CD1 3.92Å; Y266-L298 HydrophobicContact CE2-CD2 4.48Å; Y266-L298 HydrophobicContact CG-CD2 3.75Å; Y266-L301 HydrophobicContact CD1-CD1 3.51Å; Y266-L301 HydrophobicContact CE1-CD1 4.32Å; Y266-L301 HydrophobicContact CG-CD1 4.07Å; Y266-R314 PolarHBondContact OH-NH1 3.46Å; Y266-R314 VanDerWaalsContact OH-NH1 3.15Å; Y266-C417 HydrophobicContact CE2-CB 4.09Å; Y266-C417 PolarHBondContact OH-SG 3.43Å; Y266-W418 WeakPolarHBondContact CD2-O 3.24Å; Y266-L419 HydrophobicContact CD2-CD2 3.8Å; Y266-L419 HydrophobicContact CG-CD2 4.36Å
267W98.2Very high90.8Very high54 Ų5466 Ų6621%0.20531%0.309CS..EExtended strand (participates in β ladder)trans-134.1142.4-173.5-63.189.2000111.1T271 R272 C417 W418W267-T271 WeakPolarHBondContact CA-O 3.46Å; W267-T271 VanDerWaalsContact CE3-C 3.49Å; W267-R272 HydrophobicContact CD2-CB 4.07Å; W267-R272 HydrophobicContact CD2-CG 4.43Å; W267-R272 HydrophobicContact CE3-CB 3.76Å; W267-R272 VanDerWaalsContact CE3-N 3.26Å; W267-R272 HydrophobicContact CH2-CB 3.87Å; W267-R272 HydrophobicContact CH2-CG 4.5Å; W267-R272 HydrophobicContact CZ2-CB 4.18Å; W267-R272 HydrophobicContact CZ2-CG 4.35Å; W267-R272 HydrophobicContact CZ3-CB 3.65Å; W267-C417 WeakPolarHBondContact O-CA 3.29Å; W267-W418 HydrophobicContact CB-CD2 3.66Å; W267-W418 HydrophobicContact CB-CE3 4.34Å; W267-W418 HydrophobicContact CB-CG 4.01Å; W267-W418 HydrophobicContact CB-CH2 4.23Å; W267-W418 HydrophobicContact CB-CZ2 3.53Å; W267-W418 VanDerWaalsContact CB-NE1 3.29Å; W267-W418 AromaticContact CD1-CE3 3.92Å; W267-W418 AromaticContact CD1-CH2 3.59Å; W267-W418 AromaticContact CD1-CZ2 3.81Å; W267-W418 AromaticContact CD1-CZ3 3.68Å; W267-W418 AromaticContact CD2-CH2 3.84Å; W267-W418 HydrophobicContact CD2-CH2 3.84Å; W267-W418 AromaticContact CD2-CZ2 3.63Å; W267-W418 HydrophobicContact CD2-CZ2 3.63Å; W267-W418 AromaticContact CE2-CH2 3.94Å; W267-W418 HydrophobicContact CE3-CZ2 4.05Å; W267-W418 HydrophobicContact CG-CD2 4.06Å; W267-W418 AromaticContact CG-CE2 3.61Å; W267-W418 HydrophobicContact CG-CE3 4.28Å; W267-W418 AromaticContact CG-CH2 3.67Å; W267-W418 HydrophobicContact CG-CH2 3.67Å; W267-W418 AromaticContact CG-CZ2 3.39Å; W267-W418 HydrophobicContact CG-CZ2 3.39Å; W267-W418 HydrophobicContact CG-CZ3 4.13Å; W267-W418 PolarHBondContact N-O 3.42Å; W267-W418 AromaticContact NE1-CH2 3.74Å; W267-W418 AromaticContact NE1-CZ3 3.99Å; W267-W418 PolarHBondContact O-N 3.43Å
268E97.7Very high93.1Very high0 Ų062.3 Ų62.30%029%0.294CS..EExtended strand (participates in β ladder)trans-119.1108.7170-68179.9174.800108.4Y266 K270 T271 V273 S303 N305 V310 R314 P416Y266-E268 HydrophobicContact CE1-CG 3.7Å; Y266-E268 VanDerWaalsContact CE1-OE1 3.27Å; Y266-E268 WeakPolarHBondContact CE1-OE1 3.15Å; Y266-E268 VanDerWaalsContact OH-CG 3.26Å; Y266-E268 WeakPolarHBondContact OH-CG 3.33Å; Y266-E268 PolarHBondContact OH-OE1 2.93Å; E268-K270 PolarHBondContact O-N 3.37Å; E268-T271 PolarHBondContact N-O 2.94Å; E268-T271 PolarHBondContact O-N 2.81Å; E268-V273 HydrophobicContact CB-CG2 3.94Å; E268-V273 HydrophobicContact CG-CG2 3.81Å; E268-S303 WeakPolarHBondContact OE2-CB 3.2Å; E268-S303 PolarHBondContact OE2-OG 2.86Å; E268-N305 VanDerWaalsContact OE2-CB 3.3Å; E268-N305 WeakPolarHBondContact OE2-CB 3.38Å; E268-V310 HydrophobicContact CB-CG1 4.08Å; E268-V310 HydrophobicContact CG-CG1 3.84Å; E268-R314 WeakPolarHBondContact OE1-CD 3.46Å; E268-R314 IonicContact OE1-CZ 3.42Å; E268-R314 IonicContact OE1-NE 3.58Å; E268-R314 IonicContact OE1-NH1 2.68Å; E268-R314 PolarHBondContact OE1-NH1 3.42Å; E268-P416 VanDerWaalsContact CA-O 3.25Å; E268-P416 WeakPolarHBondContact CA-O 3.15Å
269E96.1Very high95.1Very high61 Ų6154.9 Ų54.929%0.28527%0.267SS..THydrogen-bonded Turntrans54.4-112.1-170.6-58.4167.4157.100110.5N305 S307 V310 S413 C415 P416 W418E269-N305 PolarHBondContact OE2-ND2 3.05Å; E269-S307 PolarHBondContact OE1-OG 3.45Å; E269-V310 HydrophobicContact CG-CG2 4.03Å; E269-S413 CarbonylContact C-O 3.06Å; E269-S413 WeakPolarHBondContact CA-O 3.25Å; E269-S413 WeakPolarHBondContact O-CA 3.16Å; E269-C415 VanDerWaalsContact CA-O 3.29Å; E269-C415 WeakPolarHBondContact CA-O 3.43Å; E269-C415 PolarHBondContact N-O 3.47Å; E269-P416 PolarHBondContact N-O 3.01Å; E269-W418 PolarHBondContact O-NE1 2.81Å
270K95.6Very high95.6Very high162 Ų16256.7 Ų56.770%0.70427%0.269SS*.THydrogen-bonded Turntrans-95.7-4-179.9-67.6175.3-177.5-176.40113.6E268E268-K270 PolarHBondContact O-N 3.37Å
271T95.8Very high95.7Very high88 Ų8858.6 Ų58.654%0.5428%0.278SS..EExtended strand (participates in β ladder)trans-106.7127.8-169.5-57.10000110.8W267 E268W267-T271 WeakPolarHBondContact CA-O 3.46Å; W267-T271 VanDerWaalsContact CE3-C 3.49Å; E268-T271 PolarHBondContact N-O 2.94Å; E268-T271 PolarHBondContact O-N 2.81Å
272R96.2Very high95.7Very high128 Ų12861 Ų6148%0.48330%0.296SS..EExtended strand (participates in β ladder)trans-73131172.6-172.6177.162.7109.5-2109.4W267 G274W267-R272 HydrophobicContact CD2-CB 4.07Å; W267-R272 HydrophobicContact CD2-CG 4.43Å; W267-R272 HydrophobicContact CE3-CB 3.76Å; W267-R272 VanDerWaalsContact CE3-N 3.26Å; W267-R272 HydrophobicContact CH2-CB 3.87Å; W267-R272 HydrophobicContact CH2-CG 4.5Å; W267-R272 HydrophobicContact CZ2-CB 4.18Å; W267-R272 HydrophobicContact CZ2-CG 4.35Å; W267-R272 HydrophobicContact CZ3-CB 3.65Å; R272-G274 PolarHBondContact NH1-O 3.04Å
273V96.6Very high95.6Very high10 Ų1062.8 Ų62.86%0.06131%0.308CS..  trans-118120.3-177.9178.60000109.2Y266 E268 L301 N302Y266-V273 HydrophobicContact CD1-CB 3.72Å; Y266-V273 HydrophobicContact CD1-CG1 4.05Å; Y266-V273 HydrophobicContact CE1-CB 3.94Å; Y266-V273 HydrophobicContact CE1-CG1 4.08Å; Y266-V273 PolarHBondContact O-N 2.84Å; E268-V273 HydrophobicContact CB-CG2 3.94Å; E268-V273 HydrophobicContact CG-CG2 3.81Å; V273-L301 HydrophobicContact CG1-CB 4Å; V273-N302 WeakPolarHBondContact CG1-O 3.32Å
274G94.4Very high95.6Very high36 Ų3662.3 Ų62.337%0.37131%0.305SS..SBendtrans83-174.9-177.300000114.9R272R272-G274 PolarHBondContact NH1-O 3.04Å
275R93.8Very high95.5Very high221 Ų22162.6 Ų62.683%0.83431%0.306SS*.  trans-84.7163.8177.3-63-178.1-178.4-179.80.2110.7
276L95Very high95.4Very high92 Ų9262.5 Ų62.548%0.48231%0.305SS..  trans-66136.1167.9-65.6177.3000109.5V263 A265V263-L276 HydrophobicContact CG1-CB 3.65Å; V263-L276 HydrophobicContact CG1-CD1 4.16Å; V263-L276 HydrophobicContact CG1-CD2 4.08Å; V263-L276 HydrophobicContact CG1-CG 4.16Å; A265-L276 HydrophobicContact CB-CD2 3.61Å
277Y95.4Very high95.3Very high80 Ų8062.6 Ų62.631%0.31431%0.306SS..EExtended strand (participates in β ladder)trans-103.4109178.7-168.7-75.9000109.6V263 V264 V279 L284 F296V263-Y277 WeakPolarHBondContact CA-O 3.32Å; V264-Y277 PolarHBondContact N-O 3.19Å; V264-Y277 PolarHBondContact O-N 3.09Å; Y277-V279 HydrophobicContact CD1-CG2 3.96Å; Y277-V279 HydrophobicContact CE1-CG2 4.3Å; Y277-L284 HydrophobicContact CD1-CD1 4.39Å; Y277-L284 HydrophobicContact CD1-CD2 3.91Å; Y277-L284 HydrophobicContact CE1-CD1 3.59Å; Y277-L284 HydrophobicContact CE1-CD2 3.9Å; Y277-L284 HydrophobicContact CE1-CG 4.41Å; Y277-F296 HydrophobicContact CD1-CB 4.5Å; Y277-F296 HydrophobicContact CD2-CB 3.93Å; Y277-F296 HydrophobicContact CD2-CD1 4.29Å; Y277-F296 AromaticContact CD2-CD2 3.59Å; Y277-F296 HydrophobicContact CD2-CD2 3.59Å; Y277-F296 HydrophobicContact CD2-CE2 4.12Å; Y277-F296 AromaticContact CD2-CG 3.69Å; Y277-F296 HydrophobicContact CD2-CG 3.69Å; Y277-F296 HydrophobicContact CE2-CB 3.97Å; Y277-F296 HydrophobicContact CE2-CD2 4.17Å; Y277-F296 HydrophobicContact CE2-CG 4.22Å; Y277-F296 HydrophobicContact CG-CB 4.2Å; Y277-F296 HydrophobicContact CG-CD1 4.08Å; Y277-F296 HydrophobicContact CG-CD2 4.2Å; Y277-F296 AromaticContact CG-CG 3.92Å; Y277-F296 HydrophobicContact CG-CG 3.92Å
278C95.1Very high95.1Very high71 Ų7163.2 Ų63.248%0.4831%0.309SS..EExtended strand (participates in β ladder)trans-82.6129.7178.7-59.70000110.8H260H260-C278 HydrophobicContact CB-CB 4.05Å
279V95.3Very high94.4Very high4 Ų468.3 Ų68.32%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-109.2113.8-174.7-163.30000110.9H260 W261 C262 V264 Y277 L284H260-V279 CarbonylContact C-O 3.41Å; H260-V279 WeakPolarHBondContact CA-O 3.29Å; H260-V279 VanDerWaalsContact CB-O 3.24Å; H260-V279 WeakPolarHBondContact CB-O 3.25Å; W261-V279 HydrophobicContact CZ2-CB 4.34Å; W261-V279 HydrophobicContact CZ2-CG1 3.79Å; W261-V279 PolarHBondContact N-O 3.49Å; W261-V279 PolarHBondContact NE1-O 2.88Å; C262-V279 PolarHBondContact O-N 2.95Å; C262-V279 WeakPolarHBondContact SG-CG2 3.48Å; V264-V279 HydrophobicContact CG2-CG2 4.01Å; Y277-V279 HydrophobicContact CD1-CG2 3.96Å; Y277-V279 HydrophobicContact CE1-CG2 4.3Å; V279-L284 HydrophobicContact CG1-CB 3.87Å; V279-L284 HydrophobicContact CG1-CD2 4.33Å; V279-L284 HydrophobicContact CG2-CD2 3.59Å
280Q93.3Very high93.7Very high91 Ų9166.7 Ų66.743%0.42533%0.329SS..  trans-98.4-44.6175.9-66.6177.8-14.900112R258 H260R258-Q280 HydrophobicContact CB-CG 4.47Å; R258-Q280 WeakPolarHBondContact O-CG 3.07Å; R258-Q280 PolarHBondContact O-NE2 3.18Å; H260-Q280 HydrophobicContact CB-CG 4.22Å
281E93.2Very high92.5Very high100 Ų10064.8 Ų64.847%0.46733%0.333SS..SBendtrans-66.4146.9-179.4-66.3-57.2140.100111.4R258 W261 S283R258-E281 IonicContact NH1-OE1 2.95Å; R258-E281 PolarHBondContact NH1-OE1 2.67Å; W261-E281 PolarHBondContact NE1-O 2.75Å; E281-S283 PolarHBondContact O-N 2.92Å
282P92.9Very high91.3Very high64 Ų6468.4 Ų68.442%0.41634%0.344SS..SBendtrans-65-13.7-17527.5-35.8000113.7T324 R325P282-T324 CarbonylContact O-C 3.39Å; P282-T324 WeakPolarHBondContact O-CA 3.37Å; P282-R325 PolarHBondContact O-N 2.89Å
283S94.4Very high90.1Very high36 Ų3663.3 Ų63.325%0.25233%0.331SS..EExtended strand (participates in β ladder)trans-135.8140.8175.766.90000111.7E281 L323E281-S283 PolarHBondContact O-N 2.92Å; S283-L323 CarbonylContact C-O 3.58Å; S283-L323 VanDerWaalsContact CA-O 3.22Å; S283-L323 WeakPolarHBondContact CA-O 3.29Å
284L95.5Very high89.3Confident8 Ų869.7 Ų69.74%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-129.3125.6174.7175.365.5000110.3V264 Y277 V279 I286 F296 Q322 L323V264-L284 HydrophobicContact CG2-CD2 4.09Å; Y277-L284 HydrophobicContact CD1-CD1 4.39Å; Y277-L284 HydrophobicContact CD1-CD2 3.91Å; Y277-L284 HydrophobicContact CE1-CD1 3.59Å; Y277-L284 HydrophobicContact CE1-CD2 3.9Å; Y277-L284 HydrophobicContact CE1-CG 4.41Å; V279-L284 HydrophobicContact CG1-CB 3.87Å; V279-L284 HydrophobicContact CG1-CD2 4.33Å; V279-L284 HydrophobicContact CG2-CD2 3.59Å; L284-I286 HydrophobicContact CD2-CD1 4.04Å; L284-I286 HydrophobicContact CD2-CG1 3.84Å; L284-I286 HydrophobicContact CG-CG1 3.92Å; L284-F296 HydrophobicContact CD1-CB 4.24Å; L284-F296 HydrophobicContact CD2-CB 4.35Å; L284-Q322 CarbonylContact O-C 3.44Å; L284-Q322 WeakPolarHBondContact O-CA 3.47Å; L284-L323 HydrophobicContact CB-CB 4.47Å; L284-L323 PolarHBondContact N-O 3.08Å; L284-L323 PolarHBondContact O-N 3.06Å
285D94.8Very high89.2Confident5 Ų569.4 Ų69.43%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-87.2131.5166.4-67.6-39.1000109.4R122 F287 G295 F296 Q322 R335R122-D285 IonicContact CZ-OD2 2.78Å; R122-D285 IonicContact NE-OD2 2.7Å; R122-D285 PolarHBondContact NE-OD2 2.91Å; R122-D285 IonicContact NH2-OD2 3.45Å; R122-D285 PolarHBondContact NH2-OD2 3.31Å; D285-F287 HydrophobicContact CB-CD1 4.16Å; D285-F287 HydrophobicContact CB-CE1 4.36Å; D285-G295 CarbonylContact O-C 3.57Å; D285-G295 WeakPolarHBondContact O-CA 3.33Å; D285-F296 PolarHBondContact O-N 3.28Å; D285-Q322 WeakPolarHBondContact OD1-CB 3.27Å; D285-Q322 WeakPolarHBondContact OD1-CG 3.48Å; D285-Q322 PolarHBondContact OD1-NE2 3.23Å; D285-R335 IonicContact OD1-NH1 3.17Å; D285-R335 PolarHBondContact OD1-NH1 2.89Å; D285-R335 IonicContact OD2-NH1 2.79Å; D285-R335 PolarHBondContact OD2-NH1 2.83Å
286I96.6Very high89.2Confident0 Ų059.5 Ų59.50%033%0.325CS..EExtended strand (participates in β ladder)trans-121.8119.7176-50.8174.9000107.9V264 L284 F296 L298 G320 I321 L323 L419V264-I286 HydrophobicContact CG1-CD1 4.04Å; V264-I286 HydrophobicContact CG2-CD1 4.43Å; L284-I286 HydrophobicContact CD2-CD1 4.04Å; L284-I286 HydrophobicContact CD2-CG1 3.84Å; L284-I286 HydrophobicContact CG-CG1 3.92Å; I286-F296 WeakPolarHBondContact CA-O 3.45Å; I286-F296 HydrophobicContact CG1-CB 4.15Å; I286-F296 HydrophobicContact CG1-CD1 4.47Å; I286-F296 HydrophobicContact CG2-CB 4.3Å; I286-F296 HydrophobicContact CG2-CD1 4.13Å; I286-F296 HydrophobicContact CG2-CG 4.44Å; I286-L298 HydrophobicContact CG2-CD1 4.02Å; I286-L298 HydrophobicContact CG2-CD2 4.1Å; I286-L298 HydrophobicContact CG2-CG 4Å; I286-G320 CarbonylContact O-C 3.57Å; I286-G320 VanDerWaalsContact O-CA 3.25Å; I286-G320 WeakPolarHBondContact O-CA 3.36Å; I286-I321 HydrophobicContact CB-CG1 4Å; I286-I321 HydrophobicContact CD1-CD1 4.25Å; I286-I321 HydrophobicContact CD1-CG1 4.32Å; I286-I321 HydrophobicContact CG1-CG1 4.45Å; I286-I321 PolarHBondContact N-O 3.49Å; I286-I321 PolarHBondContact O-N 2.96Å; I286-L323 HydrophobicContact CD1-CD1 3.61Å; I286-L323 HydrophobicContact CD1-CG 4.01Å; I286-L419 HydrophobicContact CD1-CD1 3.78Å; I286-L419 HydrophobicContact CG2-CD1 4.11Å; I286-L419 HydrophobicContact CG2-CD2 4.48Å
287F95.4Very high89.2Confident4 Ų455.7 Ų55.72%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-148.1165.3-169.855-91.4000111.5D285 L290 G293 F296 C297 L298 G318D285-F287 HydrophobicContact CB-CD1 4.16Å; D285-F287 HydrophobicContact CB-CE1 4.36Å; F287-L290 HydrophobicContact CD2-CB 3.45Å; F287-L290 VanDerWaalsContact CD2-CB 3.45Å; F287-L290 HydrophobicContact CE2-CB 3.59Å; F287-L290 HydrophobicContact CG-CB 3.99Å; F287-L290 HydrophobicContact CZ-CB 4.23Å; F287-G293 WeakPolarHBondContact CZ-O 3.06Å; F287-F296 PolarHBondContact N-O 2.98Å; F287-F296 VanDerWaalsContact N-O 3.12Å; F287-C297 HydrophobicContact CD2-CB 4.38Å; F287-C297 HydrophobicContact CE2-CB 3.71Å; F287-C297 HydrophobicContact CZ-CB 4.04Å; F287-L298 PolarHBondContact O-N 3.46Å; F287-G318 WeakPolarHBondContact CB-O 3.16Å
288Y93.6Very high89.2Confident67 Ų6751.9 Ų51.926%0.26329%0.292SS..SBendtrans-83.4-55.9177.6-175.7-108.8000112.3C297 G299 R314 G318Y288-C297 PolarHBondContact O-SG 3.31Å; Y288-G299 WeakPolarHBondContact O-CA 3.32Å; Y288-G299 PolarHBondContact O-N 2.69Å; Y288-R314 HydrophobicContact CD2-CB 4.2Å; Y288-R314 WeakPolarHBondContact CD2-O 3.39Å; Y288-R314 HydrophobicContact CE2-CB 3.68Å; Y288-R314 HydrophobicContact CE2-CG 4.36Å; Y288-R314 VanDerWaalsContact CG-O 3.31Å; Y288-G318 PolarHBondContact N-O 2.84Å
289D84.4Confident89Confident107 Ų10750.1 Ų50.157%0.57229%0.285SS*.  trans-147.2126174.7-175.114.4000108.8
290L80.6Confident88.9Confident27 Ų2757.3 Ų57.314%0.14132%0.319CS..  trans-147.9105.9176.3-169.563.5000108.1G120 F287 Q292 G293G120-L290 WeakPolarHBondContact O-CD1 3.35Å; F287-L290 HydrophobicContact CD2-CB 3.45Å; F287-L290 VanDerWaalsContact CD2-CB 3.45Å; F287-L290 HydrophobicContact CE2-CB 3.59Å; F287-L290 HydrophobicContact CG-CB 3.99Å; F287-L290 HydrophobicContact CZ-CB 4.23Å; L290-Q292 PolarHBondContact O-N 2.94Å; L290-G293 PolarHBondContact O-N 3.4Å
291P70.3Confident88.8Confident121 Ų12154.4 Ų54.479%0.78631%0.306SS*.THydrogen-bonded Turntrans-57.8-26.7-172.4-28.834.4000115
292Q71.3Confident88.5Confident165 Ų16556.5 Ų56.577%0.77132%0.32SS*.THydrogen-bonded Turntrans-114.615.5179.7-60.9173.41.800111.9L290L290-Q292 PolarHBondContact O-N 2.94Å
293G69.7Low88.1Confident21 Ų2155.2 Ų55.222%0.21631%0.313CS..  trans-85.7127-176.800000112.1F287 L290F287-G293 WeakPolarHBondContact CZ-O 3.06Å; L290-G293 PolarHBondContact O-N 3.4Å
294N80.7Confident87.8Confident143 Ų14360.7 Ų60.777%0.76534%0.339SS*.  trans-97.9129.9165-68.9-8.8000108.6
295G91.3Very high87.3Confident31 Ų3161.9 Ų61.932%0.3235%0.346SS..SBendtrans146-153.3179.300000112.7D285 C297D285-G295 CarbonylContact O-C 3.57Å; D285-G295 WeakPolarHBondContact O-CA 3.33Å; G295-C297 PolarHBondContact O-N 3.03Å
296F94.8Very high87.1Confident12 Ų1270.7 Ų70.75%0.05338%0.384CS..EExtended strand (participates in β ladder)trans-90.999.8-176.7-172.4-163.9000110.9V264 Y277 L284 D285 I286 F287 L298 L301V264-F296 HydrophobicContact CB-CD1 4.42Å; V264-F296 HydrophobicContact CB-CE1 4.38Å; V264-F296 HydrophobicContact CG1-CD1 4.12Å; V264-F296 HydrophobicContact CG1-CE1 3.99Å; Y277-F296 HydrophobicContact CD1-CB 4.5Å; Y277-F296 HydrophobicContact CD2-CB 3.93Å; Y277-F296 HydrophobicContact CD2-CD1 4.29Å; Y277-F296 AromaticContact CD2-CD2 3.59Å; Y277-F296 HydrophobicContact CD2-CD2 3.59Å; Y277-F296 HydrophobicContact CD2-CE2 4.12Å; Y277-F296 AromaticContact CD2-CG 3.69Å; Y277-F296 HydrophobicContact CD2-CG 3.69Å; Y277-F296 HydrophobicContact CE2-CB 3.97Å; Y277-F296 HydrophobicContact CE2-CD2 4.17Å; Y277-F296 HydrophobicContact CE2-CG 4.22Å; Y277-F296 HydrophobicContact CG-CB 4.2Å; Y277-F296 HydrophobicContact CG-CD1 4.08Å; Y277-F296 HydrophobicContact CG-CD2 4.2Å; Y277-F296 AromaticContact CG-CG 3.92Å; Y277-F296 HydrophobicContact CG-CG 3.92Å; L284-F296 HydrophobicContact CD1-CB 4.24Å; L284-F296 HydrophobicContact CD2-CB 4.35Å; D285-F296 PolarHBondContact O-N 3.28Å; I286-F296 WeakPolarHBondContact CA-O 3.45Å; I286-F296 HydrophobicContact CG1-CB 4.15Å; I286-F296 HydrophobicContact CG1-CD1 4.47Å; I286-F296 HydrophobicContact CG2-CB 4.3Å; I286-F296 HydrophobicContact CG2-CD1 4.13Å; I286-F296 HydrophobicContact CG2-CG 4.44Å; F287-F296 PolarHBondContact N-O 2.98Å; F287-F296 VanDerWaalsContact N-O 3.12Å; F296-L298 HydrophobicContact CD1-CD2 4.21Å; F296-L298 HydrophobicContact CD2-CD2 4.41Å; F296-L298 HydrophobicContact CE1-CD2 3.97Å; F296-L298 HydrophobicContact CE2-CD2 4.18Å; F296-L298 HydrophobicContact CG-CD2 4.43Å; F296-L298 HydrophobicContact CZ-CD2 3.96Å; F296-L301 HydrophobicContact CE2-CD1 3.94Å; F296-L301 HydrophobicContact CE2-CD2 4.15Å; F296-L301 HydrophobicContact CE2-CG 4.38Å; F296-L301 HydrophobicContact CZ-CD1 3.96Å
297C94.9Very high87.1Confident13 Ų1372.2 Ų72.29%0.08839%0.394CS..EExtended strand (participates in β ladder)trans-86.6108.1-180-174.30000111.6F287 Y288 G295 G299 Q300F287-C297 HydrophobicContact CD2-CB 4.38Å; F287-C297 HydrophobicContact CE2-CB 3.71Å; F287-C297 HydrophobicContact CZ-CB 4.04Å; Y288-C297 PolarHBondContact O-SG 3.31Å; G295-C297 PolarHBondContact O-N 3.03Å; C297-G299 VanDerWaalsContact C-N 3.3Å; C297-G299 PolarHBondContact O-N 3.22Å; C297-Q300 HydrophobicContact CB-CB 4.48Å; C297-Q300 HydrophobicContact CB-CG 4.15Å; C297-Q300 PolarHBondContact O-N 2.9Å
298L95.1Very high87.1Confident0 Ų079.9 Ų79.90%043%0.43CS..G310 helixtrans-73.5-21.5-179.5-56.7-179.2000113Y266 I286 F287 F296 Q300 L301 R314 I317 F399Y266-L298 HydrophobicContact CD1-CD2 4.25Å; Y266-L298 HydrophobicContact CD2-CD1 3.94Å; Y266-L298 HydrophobicContact CD2-CD2 3.87Å; Y266-L298 HydrophobicContact CD2-CG 4.49Å; Y266-L298 HydrophobicContact CE2-CD1 3.92Å; Y266-L298 HydrophobicContact CE2-CD2 4.48Å; Y266-L298 HydrophobicContact CG-CD2 3.75Å; I286-L298 HydrophobicContact CG2-CD1 4.02Å; I286-L298 HydrophobicContact CG2-CD2 4.1Å; I286-L298 HydrophobicContact CG2-CG 4Å; F287-L298 PolarHBondContact O-N 3.46Å; F296-L298 HydrophobicContact CD1-CD2 4.21Å; F296-L298 HydrophobicContact CD2-CD2 4.41Å; F296-L298 HydrophobicContact CE1-CD2 3.97Å; F296-L298 HydrophobicContact CE2-CD2 4.18Å; F296-L298 HydrophobicContact CG-CD2 4.43Å; F296-L298 HydrophobicContact CZ-CD2 3.96Å; L298-Q300 VanDerWaalsContact C-N 3.28Å; L298-Q300 PolarHBondContact O-N 3.42Å; L298-L301 HydrophobicContact CD2-CD1 3.85Å; L298-L301 WeakPolarHBondContact O-CB 3.19Å; L298-L301 PolarHBondContact O-N 2.97Å; L298-R314 PolarHBondContact O-NH2 3.15Å; L298-I317 HydrophobicContact CD1-CD1 3.9Å; L298-I317 HydrophobicContact CD1-CG2 4.41Å; L298-F399 HydrophobicContact CD1-CE2 3.97Å; L298-F399 HydrophobicContact CD1-CZ 4.21Å
299G92.1Very high87.2Confident34 Ų3479.4 Ų79.435%0.35143%0.432SS..G310 helixtrans-69.7-24.2175.900000113.4Y288 C297 L301Y288-G299 WeakPolarHBondContact O-CA 3.32Å; Y288-G299 PolarHBondContact O-N 2.69Å; C297-G299 VanDerWaalsContact C-N 3.3Å; C297-G299 PolarHBondContact O-N 3.22Å; G299-L301 VanDerWaalsContact C-N 3.28Å
300Q91.8Very high87.8Confident155 Ų15574.3 Ų74.372%0.72441%0.405SS*.G310 helixtrans-81.7-7.7175.6-69.3173.7-8.300113.1C297 L298C297-Q300 HydrophobicContact CB-CB 4.48Å; C297-Q300 HydrophobicContact CB-CG 4.15Å; C297-Q300 PolarHBondContact O-N 2.9Å; L298-Q300 VanDerWaalsContact C-N 3.28Å; L298-Q300 PolarHBondContact O-N 3.42Å
301L91.5Very high88.4Confident29 Ų2978.1 Ų78.115%0.15242%0.422CS..SBendtrans-81.4127.3177.8-58.4179.8000110.3Y266 V273 F296 L298 G299 S303Y266-L301 HydrophobicContact CD1-CD1 3.51Å; Y266-L301 HydrophobicContact CE1-CD1 4.32Å; Y266-L301 HydrophobicContact CG-CD1 4.07Å; V273-L301 HydrophobicContact CG1-CB 4Å; F296-L301 HydrophobicContact CE2-CD1 3.94Å; F296-L301 HydrophobicContact CE2-CD2 4.15Å; F296-L301 HydrophobicContact CE2-CG 4.38Å; F296-L301 HydrophobicContact CZ-CD1 3.96Å; L298-L301 HydrophobicContact CD2-CD1 3.85Å; L298-L301 WeakPolarHBondContact O-CB 3.19Å; L298-L301 PolarHBondContact O-N 2.97Å; G299-L301 VanDerWaalsContact C-N 3.28Å; L301-S303 PolarHBondContact O-N 2.71Å; L301-S303 VanDerWaalsContact O-N 3.11Å
302N86.3Confident89.7Confident144 Ų14478.8 Ų78.877%0.7741%0.413SS*.  trans-66109.7173.4-67.1-8.5000109.2V273V273-N302 WeakPolarHBondContact CG1-O 3.32Å
303S86.1Confident90.9Very high37 Ų3771 Ų7126%0.25938%0.376SS..  trans-100.8115.7173170.20000108.8E268 L301 N305E268-S303 WeakPolarHBondContact OE2-CB 3.2Å; E268-S303 PolarHBondContact OE2-OG 2.86Å; L301-S303 PolarHBondContact O-N 2.71Å; L301-S303 VanDerWaalsContact O-N 3.11Å; S303-N305 PolarHBondContact OG-N 2.85Å
304D87.6Confident92.1Very high152 Ų15270.8 Ų70.881%0.81337%0.369SS*.  trans-85.31.9170.5-61.1-39.6000111.8K306D304-K306 PolarHBondContact O-N 2.89Å
305N85.3Confident92.7Very high33 Ų3367.5 Ų67.518%0.17636%0.357CS..  trans-77114.8-175.9-164.7-34.7000110.8E268 E269 S303 S307 V310E268-N305 VanDerWaalsContact OE2-CB 3.3Å; E268-N305 WeakPolarHBondContact OE2-CB 3.38Å; E269-N305 PolarHBondContact OE2-ND2 3.05Å; S303-N305 PolarHBondContact OG-N 2.85Å; N305-S307 VanDerWaalsContact C-N 3.29Å; N305-S307 PolarHBondContact O-N 3.1Å; N305-S307 WeakPolarHBondContact OD1-CB 3.37Å; N305-S307 PolarHBondContact OD1-N 3.33Å; N305-V310 HydrophobicContact CB-CG1 4.42Å
306K90.6Very high92.9Very high189 Ų18969.1 Ų69.182%0.82236%0.355SS*.  trans-83.71.3-179.8-59.7-177.4-177.6177.30113.8D304 Q308D304-K306 PolarHBondContact O-N 2.89Å; K306-Q308 PolarHBondContact O-N 2.84Å
307S95.6Very high93Very high32 Ų3268.6 Ų68.622%0.22435%0.353CS..  trans-64.4117.4179178.30000110.9E269 N305 L309 V310 Q311E269-S307 PolarHBondContact OE1-OG 3.45Å; N305-S307 VanDerWaalsContact C-N 3.29Å; N305-S307 PolarHBondContact O-N 3.1Å; N305-S307 WeakPolarHBondContact OD1-CB 3.37Å; N305-S307 PolarHBondContact OD1-N 3.33Å; S307-L309 PolarHBondContact O-N 3.04Å; S307-V310 PolarHBondContact O-N 3.26Å; S307-V310 VanDerWaalsContact O-N 3.11Å; S307-Q311 PolarHBondContact O-N 2.98Å; S307-Q311 VanDerWaalsContact O-N 3.11Å
308Q95.7Very high92.9Very high166 Ų16669.3 Ų69.378%0.77636%0.363SS*.Hα-helixtrans-58.4-32.2176.4-66.7-176-6.500112.1K306 K312K306-Q308 PolarHBondContact O-N 2.84Å; Q308-K312 VanDerWaalsContact O-CB 3.31Å; Q308-K312 WeakPolarHBondContact O-CB 3.3Å; Q308-K312 PolarHBondContact O-N 3.3Å
309L95.8Very high92.9Very high56 Ų5670.7 Ų70.729%0.29337%0.372SS..Hα-helixtrans-69-41.2178179.861.7000111.6S307 K312 V313 R409 P416S307-L309 PolarHBondContact O-N 3.04Å; L309-K312 PolarHBondContact O-N 2.78Å; L309-V313 HydrophobicContact CD1-CG2 4.31Å; L309-V313 WeakPolarHBondContact O-CG2 3.44Å; L309-V313 PolarHBondContact O-N 3.3Å; L309-R409 VanDerWaalsContact CD2-NH2 3.28Å; L309-P416 HydrophobicContact CD1-CG 4.41Å; L309-P416 HydrophobicContact CD2-CG 3.62Å; L309-P416 HydrophobicContact CG-CB 4.21Å; L309-P416 HydrophobicContact CG-CG 3.62Å
310V96.6Very high93Very high0 Ų069.1 Ų69.10%036%0.356CS..Hα-helixtrans-60.7-50175.4173.30000109.8E268 E269 N305 S307 K312 V313 R314 P416E268-V310 HydrophobicContact CB-CG1 4.08Å; E268-V310 HydrophobicContact CG-CG1 3.84Å; E269-V310 HydrophobicContact CG-CG2 4.03Å; N305-V310 HydrophobicContact CB-CG1 4.42Å; S307-V310 PolarHBondContact O-N 3.26Å; S307-V310 VanDerWaalsContact O-N 3.11Å; V310-K312 VanDerWaalsContact C-N 3.3Å; V310-K312 PolarHBondContact O-N 2.7Å; V310-V313 PolarHBondContact O-N 2.98Å; V310-R314 HydrophobicContact CG1-CG 4.22Å; V310-R314 WeakPolarHBondContact O-CB 3.47Å; V310-R314 WeakPolarHBondContact O-CG 3.4Å; V310-R314 PolarHBondContact O-N 3.16Å; V310-P416 HydrophobicContact CB-CB 4.45Å; V310-P416 HydrophobicContact CG2-CB 3.88Å
311Q94.4Very high93.3Very high108 Ų10861.7 Ų61.751%0.50532%0.321SS..Hα-helixtrans-58.2-41.3177.6-66.1176.2-5.800112.4S307 V313 R314 S315S307-Q311 PolarHBondContact O-N 2.98Å; S307-Q311 VanDerWaalsContact O-N 3.11Å; Q311-V313 PolarHBondContact O-N 2.79Å; Q311-R314 PolarHBondContact O-N 3.39Å; Q311-S315 PolarHBondContact O-N 3.4Å; Q311-S315 PolarHBondContact O-OG 3.42Å
312K95.8Very high93.5Very high135 Ų13560.5 Ų60.559%0.58732%0.315SS*.Hα-helixtrans-67.5-31.9176.4-173.1172.2-174.6169.60113.4Q308 L309 V310 S315 K316Q308-K312 VanDerWaalsContact O-CB 3.31Å; Q308-K312 WeakPolarHBondContact O-CB 3.3Å; Q308-K312 PolarHBondContact O-N 3.3Å; L309-K312 PolarHBondContact O-N 2.78Å; V310-K312 VanDerWaalsContact C-N 3.3Å; V310-K312 PolarHBondContact O-N 2.7Å; K312-S315 PolarHBondContact O-OG 3.05Å; K312-K316 WeakPolarHBondContact O-CG 3.15Å
313V97.1Very high94Very high2 Ų253.8 Ų53.81%0.01228%0.279CS..Hα-helixtrans-79.1-41.7175.5171.80000110.7L309 V310 Q311 S315 K316 I317 F399 V400 K401 P416 C417L309-V313 HydrophobicContact CD1-CG2 4.31Å; L309-V313 WeakPolarHBondContact O-CG2 3.44Å; L309-V313 PolarHBondContact O-N 3.3Å; V310-V313 PolarHBondContact O-N 2.98Å; Q311-V313 PolarHBondContact O-N 2.79Å; V313-S315 VanDerWaalsContact C-N 3.33Å; V313-S315 PolarHBondContact O-N 3.26Å; V313-K316 WeakPolarHBondContact O-CA 3.42Å; V313-K316 WeakPolarHBondContact O-CB 3.27Å; V313-K316 PolarHBondContact O-N 3.08Å; V313-I317 PolarHBondContact O-N 3.07Å; V313-F399 HydrophobicContact CG1-CB 4.34Å; V313-F399 WeakPolarHBondContact CG1-O 3.22Å; V313-V400 HydrophobicContact CG1-CB 4.07Å; V313-V400 HydrophobicContact CG1-CG2 4.02Å; V313-V400 HydrophobicContact CG2-CB 4.44Å; V313-K401 HydrophobicContact CG2-CG 4.14Å; V313-P416 HydrophobicContact CB-CB 4.05Å; V313-P416 HydrophobicContact CG1-CB 4.44Å; V313-P416 HydrophobicContact CG2-CB 3.95Å; V313-P416 HydrophobicContact CG2-CG 3.96Å; V313-C417 HydrophobicContact CG1-CB 3.77Å
314R95.1Very high94.5Very high15 Ų1552.3 Ų52.36%0.05727%0.269CS..Hα-helixtrans-50.1-51.2174.2-78.1176.871.968.63.2111.6Y266 E268 Y288 L298 V310 Q311 K316 I317Y266-R314 PolarHBondContact OH-NH1 3.46Å; Y266-R314 VanDerWaalsContact OH-NH1 3.15Å; E268-R314 WeakPolarHBondContact OE1-CD 3.46Å; E268-R314 IonicContact OE1-CZ 3.42Å; E268-R314 IonicContact OE1-NE 3.58Å; E268-R314 IonicContact OE1-NH1 2.68Å; E268-R314 PolarHBondContact OE1-NH1 3.42Å; Y288-R314 HydrophobicContact CD2-CB 4.2Å; Y288-R314 WeakPolarHBondContact CD2-O 3.39Å; Y288-R314 HydrophobicContact CE2-CB 3.68Å; Y288-R314 HydrophobicContact CE2-CG 4.36Å; Y288-R314 VanDerWaalsContact CG-O 3.31Å; L298-R314 PolarHBondContact O-NH2 3.15Å; V310-R314 HydrophobicContact CG1-CG 4.22Å; V310-R314 WeakPolarHBondContact O-CB 3.47Å; V310-R314 WeakPolarHBondContact O-CG 3.4Å; V310-R314 PolarHBondContact O-N 3.16Å; Q311-R314 PolarHBondContact O-N 3.39Å; R314-K316 PolarHBondContact O-N 3.38Å; R314-K316 VanDerWaalsContact O-N 3.16Å; R314-I317 WeakPolarHBondContact O-CB 3.47Å; R314-I317 PolarHBondContact O-N 3.31Å; R314-I317 VanDerWaalsContact O-N 3.15Å
315S93.1Very high94.9Very high75 Ų7550.1 Ų50.152%0.52425%0.249SC..Hα-helixtrans-65-19.1179.164.70000114.4Q311 K312 V313Q311-S315 PolarHBondContact O-N 3.4Å; Q311-S315 PolarHBondContact O-OG 3.42Å; K312-S315 PolarHBondContact O-OG 3.05Å; V313-S315 VanDerWaalsContact C-N 3.33Å; V313-S315 PolarHBondContact O-N 3.26Å
316K96.2Very high95.3Very high64 Ų6449.7 Ų49.728%0.27825%0.246SC..Hα-helixtrans-89.8-13.4177.7-74.5-176.3174.3-143.70114.2K312 V313 R314 G318 Y338 V400K312-K316 WeakPolarHBondContact O-CG 3.15Å; V313-K316 WeakPolarHBondContact O-CA 3.42Å; V313-K316 WeakPolarHBondContact O-CB 3.27Å; V313-K316 PolarHBondContact O-N 3.08Å; R314-K316 PolarHBondContact O-N 3.38Å; R314-K316 VanDerWaalsContact O-N 3.16Å; K316-G318 VanDerWaalsContact C-N 3.29Å; K316-G318 PolarHBondContact O-N 2.88Å; K316-Y338 HydrophobicContact CB-CD2 3.79Å; K316-Y338 HydrophobicContact CB-CE2 3.66Å; K316-Y338 HydrophobicContact CD-CD2 4.41Å; K316-Y338 HydrophobicContact CD-CE1 3.99Å; K316-Y338 HydrophobicContact CD-CE2 3.9Å; K316-Y338 WeakPolarHBondContact CE-OH 3.41Å; K316-Y338 HydrophobicContact CG-CD2 4.23Å; K316-Y338 HydrophobicContact CG-CE2 3.61Å; K316-Y338 PolarHBondContact NZ-OH 3.04Å; K316-Y338 VanDerWaalsContact O-CD2 3.28Å; K316-Y338 WeakPolarHBondContact O-CD2 3.37Å; K316-V400 HydrophobicContact CB-CG2 3.78Å; K316-V400 HydrophobicContact CD-CG1 4.19Å
317I96.3Very high95.3Very high1 Ų148 Ų481%0.00525%0.251CS..Hα-helixtrans-60.4-43.7177.3-65.1172.3000109.7L298 V313 R314 C319 G320 S336 F399 C417L298-I317 HydrophobicContact CD1-CD1 3.9Å; L298-I317 HydrophobicContact CD1-CG2 4.41Å; V313-I317 PolarHBondContact O-N 3.07Å; R314-I317 WeakPolarHBondContact O-CB 3.47Å; R314-I317 PolarHBondContact O-N 3.31Å; R314-I317 VanDerWaalsContact O-N 3.15Å; I317-C319 PolarHBondContact O-N 3.02Å; I317-G320 WeakPolarHBondContact O-CA 3.25Å; I317-G320 PolarHBondContact O-N 3.49Å; I317-S336 WeakPolarHBondContact O-CB 3.41Å; I317-F399 HydrophobicContact CD1-CB 4.42Å; I317-F399 HydrophobicContact CD1-CD2 3.79Å; I317-F399 HydrophobicContact CD1-CE2 4.11Å; I317-F399 HydrophobicContact CD1-CG 4.06Å; I317-F399 HydrophobicContact CG1-CB 3.87Å; I317-F399 HydrophobicContact CG1-CD1 4.06Å; I317-F399 HydrophobicContact CG1-CD2 4.01Å; I317-F399 HydrophobicContact CG1-CG 3.73Å; I317-F399 HydrophobicContact CG2-CD1 4.09Å; I317-F399 HydrophobicContact CG2-CE1 3.91Å; I317-F399 HydrophobicContact CG2-CZ 4.2Å; I317-C417 HydrophobicContact CD1-CB 4.21Å
318G94Very high95.1Very high29 Ų2949.5 Ų49.530%0.29926%0.256SS..THydrogen-bonded Turntrans54.6-123.1176.300000112F287 Y288 K316 G320F287-G318 WeakPolarHBondContact CB-O 3.16Å; Y288-G318 PolarHBondContact N-O 2.84Å; K316-G318 VanDerWaalsContact C-N 3.29Å; K316-G318 PolarHBondContact O-N 2.88Å; G318-G320 PolarHBondContact O-N 3.34Å
319C93.5Very high95.1Very high29 Ų2941.6 Ų41.620%0.19622%0.219CC..THydrogen-bonded Turntrans-69.4-7.7177.3-62.90000114.5G120 I317 I321 R335G120-C319 WeakPolarHBondContact CA-SG 3.04Å; I317-C319 PolarHBondContact O-N 3.02Å; C319-I321 PolarHBondContact O-N 2.95Å; C319-R335 HydrophobicContact CB-CB 4Å; C319-R335 WeakPolarHBondContact CB-O 3.34Å
320G95.7Very high95.1Very high0 Ų039 Ų390%021%0.206CC..  trans58-126.417100000114.6I286 I317 G318 R335 S336I286-G320 CarbonylContact O-C 3.57Å; I286-G320 VanDerWaalsContact O-CA 3.25Å; I286-G320 WeakPolarHBondContact O-CA 3.36Å; I317-G320 WeakPolarHBondContact O-CA 3.25Å; I317-G320 PolarHBondContact O-N 3.49Å; G318-G320 PolarHBondContact O-N 3.34Å; G320-R335 CarbonylContact O-C 3.52Å; G320-R335 WeakPolarHBondContact O-CA 3.18Å; G320-R335 WeakPolarHBondContact O-CB 3.32Å; G320-R335 PolarHBondContact O-N 3.39Å; G320-S336 PolarHBondContact O-N 3.27Å
321I96.9Very high95.1Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-133.3160.7-174.263.6173.3000111.7I286 C319 L323 V332 Y333 I340 I397 F399 L419I286-I321 HydrophobicContact CB-CG1 4Å; I286-I321 HydrophobicContact CD1-CD1 4.25Å; I286-I321 HydrophobicContact CD1-CG1 4.32Å; I286-I321 HydrophobicContact CG1-CG1 4.45Å; I286-I321 PolarHBondContact N-O 3.49Å; I286-I321 PolarHBondContact O-N 2.96Å; C319-I321 PolarHBondContact O-N 2.95Å; I321-L323 HydrophobicContact CD1-CD2 3.93Å; I321-L323 HydrophobicContact CD1-CG 4.34Å; I321-V332 HydrophobicContact CB-CG1 4.2Å; I321-V332 HydrophobicContact CD1-CG1 4.07Å; I321-V332 HydrophobicContact CG2-CG1 4.31Å; I321-Y333 CarbonylContact C-O 3.46Å; I321-Y333 VanDerWaalsContact CA-O 3.29Å; I321-Y333 WeakPolarHBondContact CA-O 3.43Å; I321-I340 HydrophobicContact CG2-CD1 3.56Å; I321-I340 HydrophobicContact CG2-CG2 4.05Å; I321-I397 HydrophobicContact CD1-CD1 3.83Å; I321-I397 HydrophobicContact CD1-CG2 4.4Å; I321-F399 HydrophobicContact CG2-CE1 4.11Å; I321-L419 HydrophobicContact CD1-CD1 3.79Å
322Q96.1Very high95.3Very high4 Ų435.5 Ų35.52%0.01919%0.188CC..EExtended strand (participates in β ladder)trans-115.7124.7164.8176.4172.686.800108.9L284 D285 V332 Y333L284-Q322 CarbonylContact O-C 3.44Å; L284-Q322 WeakPolarHBondContact O-CA 3.47Å; D285-Q322 WeakPolarHBondContact OD1-CB 3.27Å; D285-Q322 WeakPolarHBondContact OD1-CG 3.48Å; D285-Q322 PolarHBondContact OD1-NE2 3.23Å; Q322-V332 WeakPolarHBondContact O-CA 3.22Å; Q322-Y333 HydrophobicContact CB-CD1 4.32Å; Q322-Y333 PolarHBondContact N-O 3.36Å; Q322-Y333 PolarHBondContact O-N 3.03Å
323L97.4Very high95.4Very high2 Ų229.7 Ų29.71%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-93.8132.1169.1-61-177.1000108.7W261 V264 S283 L284 I286 I321 W331 V332 I397 V421W261-L323 HydrophobicContact CH2-CB 4.45Å; V264-L323 HydrophobicContact CG2-CD1 4.07Å; S283-L323 CarbonylContact C-O 3.58Å; S283-L323 VanDerWaalsContact CA-O 3.22Å; S283-L323 WeakPolarHBondContact CA-O 3.29Å; L284-L323 HydrophobicContact CB-CB 4.47Å; L284-L323 PolarHBondContact N-O 3.08Å; L284-L323 PolarHBondContact O-N 3.06Å; I286-L323 HydrophobicContact CD1-CD1 3.61Å; I286-L323 HydrophobicContact CD1-CG 4.01Å; I321-L323 HydrophobicContact CD1-CD2 3.93Å; I321-L323 HydrophobicContact CD1-CG 4.34Å; L323-W331 WeakPolarHBondContact CA-O 3.39Å; L323-V332 HydrophobicContact CD2-CB 4.35Å; L323-V332 HydrophobicContact CD2-CG1 4.24Å; L323-V332 HydrophobicContact CD2-CG2 3.6Å; L323-I397 HydrophobicContact CD2-CD1 4.2Å; L323-V421 HydrophobicContact CD1-CG1 4.27Å; L323-V421 HydrophobicContact CD1-CG2 3.97Å
324T96.5Very high95.4Very high7 Ų729.6 Ų29.64%0.04316%0.162CC..EExtended strand (participates in β ladder)trans-135.8126.5178.6-55.20000110.6C178 P282 E326 V330 W331C178-T324 HydrophobicContact CB-CG2 3.77Å; C178-T324 WeakPolarHBondContact SG-CG2 3.42Å; C178-T324 PolarHBondContact SG-OG1 3.42Å; P282-T324 CarbonylContact O-C 3.39Å; P282-T324 WeakPolarHBondContact O-CA 3.37Å; T324-E326 HydrophobicContact CG2-CG 3.69Å; T324-V330 CarbonylContact O-C 3.53Å; T324-V330 WeakPolarHBondContact O-CA 3.39Å; T324-W331 PolarHBondContact N-O 3.3Å; T324-W331 PolarHBondContact O-N 2.99Å
325R95.5Very high95.4Very high105 Ų10530.1 Ų30.140%0.39616%0.164SC..EExtended strand (participates in β ladder)trans-82.1113.6166.8178.2171.568.5164.1-1.3109.1W261 P282 Y371W261-R325 VanDerWaalsContact CB-NH1 3.3Å; W261-R325 HydrophobicContact CD2-CB 4.02Å; W261-R325 HydrophobicContact CE3-CB 4.07Å; W261-R325 HydrophobicContact CH2-CB 4.16Å; W261-R325 HydrophobicContact CZ2-CB 4.11Å; W261-R325 HydrophobicContact CZ3-CB 4.12Å; P282-R325 PolarHBondContact O-N 2.89Å; R325-Y371 WeakPolarHBondContact CD-OH 3.37Å; R325-Y371 WeakPolarHBondContact CG-OH 3.35Å
326E93.9Very high95.5Very high25 Ų2526.9 Ų26.912%0.11714%0.141CC..  trans-114171.5176-57.7-173.7-154.100109.8K175 Y183 T324 D328 G329K175-E326 IonicContact NZ-OE1 2.73Å; K175-E326 PolarHBondContact NZ-OE1 2.69Å; K175-E326 IonicContact NZ-OE2 2.97Å; K175-E326 PolarHBondContact NZ-OE2 3.16Å; Y183-E326 WeakPolarHBondContact OH-CG 3.48Å; Y183-E326 PolarHBondContact OH-OE2 3.18Å; T324-E326 HydrophobicContact CG2-CG 3.69Å; E326-D328 PolarHBondContact O-N 3.21Å; E326-G329 CarbonylContact C-O 3.49Å; E326-G329 WeakPolarHBondContact CA-O 3.41Å; E326-G329 PolarHBondContact N-O 3.31Å; E326-G329 PolarHBondContact O-N 3.47Å; E326-G329 VanDerWaalsContact O-O 3.14Å
327V91Very high95.4Very high153 Ų15328.8 Ų28.893%0.92716%0.163SC*.SBendtrans-62.5-30.8-177-65.20000113
328D91.2Very high95.5Very high63 Ų6332.8 Ų32.834%0.33718%0.179SC..SBendtrans-92-17.9-176.871.7-37.9000112.4E326 W331 K367E326-D328 PolarHBondContact O-N 3.21Å; D328-W331 PolarHBondContact OD1-NE1 3.09Å; D328-W331 PolarHBondContact OD2-NE1 3.3Å; D328-K367 WeakPolarHBondContact O-CE 3.48Å; D328-K367 PolarHBondContact O-NZ 2.91Å; D328-K367 WeakPolarHBondContact OD2-CE 3.43Å; D328-K367 IonicContact OD2-NZ 3.38Å; D328-K367 PolarHBondContact OD2-NZ 3.01Å
329G94.3Very high95.6Very high0 Ų032.8 Ų32.80%017%0.173CC..  trans161.9-168.8-173.800000113.6E326 F369E326-G329 CarbonylContact C-O 3.49Å; E326-G329 WeakPolarHBondContact CA-O 3.41Å; E326-G329 PolarHBondContact N-O 3.31Å; E326-G329 PolarHBondContact O-N 3.47Å; E326-G329 VanDerWaalsContact O-O 3.14Å; G329-F369 CarbonylContact C-O 3.55Å; G329-F369 WeakPolarHBondContact CA-O 3.36Å
330V96.6Very high95.9Very high2 Ų231.4 Ų31.41%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-102.1125.8175.5-171.70000109.7W261 T324 K367 A368 F369 Y371 F423W261-V330 HydrophobicContact CE3-CG2 4.38Å; W261-V330 HydrophobicContact CH2-CG1 3.86Å; W261-V330 HydrophobicContact CZ3-CB 4.41Å; W261-V330 HydrophobicContact CZ3-CG1 3.71Å; W261-V330 HydrophobicContact CZ3-CG2 3.74Å; T324-V330 CarbonylContact O-C 3.53Å; T324-V330 WeakPolarHBondContact O-CA 3.39Å; V330-K367 CarbonylContact O-C 3.55Å; V330-A368 PolarHBondContact O-N 3.39Å; V330-F369 HydrophobicContact CB-CB 3.81Å; V330-F369 HydrophobicContact CG2-CB 4.07Å; V330-F369 HydrophobicContact CG2-CD1 4.14Å; V330-F369 PolarHBondContact N-O 3.18Å; V330-F369 PolarHBondContact O-N 3.38Å; V330-F369 VanDerWaalsContact O-N 3.1Å; V330-Y371 WeakPolarHBondContact CG2-OH 3.38Å; V330-F423 HydrophobicContact CB-CE1 4.14Å; V330-F423 HydrophobicContact CB-CZ 4.16Å; V330-F423 HydrophobicContact CG1-CE1 4Å; V330-F423 HydrophobicContact CG1-CZ 4.19Å; V330-F423 HydrophobicContact CG2-CD1 4.14Å; V330-F423 HydrophobicContact CG2-CE1 3.71Å; V330-F423 HydrophobicContact CG2-CZ 4.11Å
331W97.6Very high96Very high34 Ų3431.9 Ų31.913%0.12917%0.166CC..EExtended strand (participates in β ladder)trans-104.7145.1-179.9-70.982.1000111.5K175 L201 L323 T324 D328 I366 K367K175-W331 HydrophobicContact CD-CD2 4.15Å; K175-W331 HydrophobicContact CD-CE3 3.71Å; K175-W331 HydrophobicContact CD-CH2 4.09Å; K175-W331 HydrophobicContact CD-CZ2 4.48Å; K175-W331 HydrophobicContact CD-CZ3 3.7Å; K175-W331 VanDerWaalsContact NZ-CG 3.27Å; L201-W331 HydrophobicContact CD2-CH2 3.83Å; L201-W331 HydrophobicContact CD2-CZ3 3.61Å; L323-W331 WeakPolarHBondContact CA-O 3.39Å; T324-W331 PolarHBondContact N-O 3.3Å; T324-W331 PolarHBondContact O-N 2.99Å; D328-W331 PolarHBondContact OD1-NE1 3.09Å; D328-W331 PolarHBondContact OD2-NE1 3.3Å; W331-I366 WeakPolarHBondContact CA-O 3.47Å; W331-K367 HydrophobicContact CD2-CB 3.9Å; W331-K367 HydrophobicContact CD2-CG 4.31Å; W331-K367 HydrophobicContact CE3-CB 4.04Å; W331-K367 VanDerWaalsContact CE3-N 3.34Å; W331-K367 HydrophobicContact CH2-CB 3.88Å; W331-K367 HydrophobicContact CZ2-CB 3.74Å; W331-K367 HydrophobicContact CZ2-CD 4.19Å; W331-K367 HydrophobicContact CZ2-CG 4.1Å; W331-K367 HydrophobicContact CZ3-CB 4.02Å
332V98.3Very high96Very high1 Ų131.9 Ų31.91%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-118.8118.2173.3-176.40000108.4I321 Q322 L323 I340 I342 S365 I366 A368 I397I321-V332 HydrophobicContact CB-CG1 4.2Å; I321-V332 HydrophobicContact CD1-CG1 4.07Å; I321-V332 HydrophobicContact CG2-CG1 4.31Å; Q322-V332 WeakPolarHBondContact O-CA 3.22Å; L323-V332 HydrophobicContact CD2-CB 4.35Å; L323-V332 HydrophobicContact CD2-CG1 4.24Å; L323-V332 HydrophobicContact CD2-CG2 3.6Å; V332-I340 HydrophobicContact CG1-CD1 3.78Å; V332-I342 HydrophobicContact CB-CD1 3.86Å; V332-I342 HydrophobicContact CG1-CD1 3.78Å; V332-I342 HydrophobicContact CG2-CD1 4.03Å; V332-S365 VanDerWaalsContact O-CA 3.22Å; V332-S365 WeakPolarHBondContact O-CA 3.38Å; V332-I366 HydrophobicContact CB-CG2 4.26Å; V332-I366 PolarHBondContact N-O 2.88Å; V332-I366 PolarHBondContact O-N 2.97Å; V332-A368 HydrophobicContact CB-CB 4.42Å; V332-A368 HydrophobicContact CG2-CB 3.46Å; V332-A368 VanDerWaalsContact CG2-CB 3.46Å; V332-I397 HydrophobicContact CG1-CD1 4.29Å; V332-I397 HydrophobicContact CG2-CD1 4.04Å
333Y97.7Very high95.8Very high13 Ų1334.6 Ų34.65%0.05118%0.178CC..EExtended strand (participates in β ladder)trans-103.7121.9173.7171.5-129.6000110.5R164 L177 S199 I321 Q322 R335 S365R164-Y333 PolarHBondContact NH2-OH 2.9Å; L177-Y333 HydrophobicContact CD1-CD1 3.75Å; L177-Y333 HydrophobicContact CD1-CE1 3.4Å; L177-Y333 VanDerWaalsContact CD1-CE1 3.4Å; L177-Y333 HydrophobicContact CD1-CE2 4.21Å; L177-Y333 HydrophobicContact CD1-CG 4.3Å; L177-Y333 HydrophobicContact CD2-CD1 3.8Å; L177-Y333 HydrophobicContact CD2-CD2 4.09Å; L177-Y333 HydrophobicContact CD2-CE1 4.31Å; L177-Y333 HydrophobicContact CD2-CG 3.69Å; L177-Y333 HydrophobicContact CG-CD1 4.44Å; S199-Y333 VanDerWaalsContact CB-CD2 3.49Å; I321-Y333 CarbonylContact C-O 3.46Å; I321-Y333 VanDerWaalsContact CA-O 3.29Å; I321-Y333 WeakPolarHBondContact CA-O 3.43Å; Q322-Y333 HydrophobicContact CB-CD1 4.32Å; Q322-Y333 PolarHBondContact N-O 3.36Å; Q322-Y333 PolarHBondContact O-N 3.03Å; Y333-R335 HydrophobicContact CD1-CG 3.51Å; Y333-R335 HydrophobicContact CE1-CG 3.37Å; Y333-R335 HydrophobicContact CG-CG 4.44Å; Y333-R335 PolarHBondContact O-N 2.94Å; Y333-S365 WeakPolarHBondContact CB-OG 3.2Å; Y333-S365 WeakPolarHBondContact CD2-OG 3.38Å
334N97.4Very high95.6Very high0 Ų034.6 Ų34.60%018%0.178CC..EExtended strand (participates in β ladder)trans-82.5108.4178.4-174.12.6000111.2S336 Y338 I340 V360 F361 G363 F364N334-S336 WeakPolarHBondContact OD1-CB 3.47Å; N334-S336 PolarHBondContact OD1-N 3.13Å; N334-S336 PolarHBondContact OD1-OG 3.24Å; N334-Y338 PolarHBondContact ND2-O 3.26Å; N334-I340 HydrophobicContact CB-CD1 3.94Å; N334-I340 HydrophobicContact CB-CG1 4.27Å; N334-V360 HydrophobicContact CB-CG1 4.17Å; N334-V360 PolarHBondContact ND2-O 3.46Å; N334-F361 PolarHBondContact ND2-O 3.48Å; N334-G363 PolarHBondContact O-N 2.9Å; N334-F364 PolarHBondContact N-O 3Å
335R94.9Very high95.1Very high26 Ų2635.2 Ų35.210%0.09818%0.184CC..  trans-94.9-11.1176.5-67.7175.455-168.1-11.7113.1G120 D285 C319 G320 Y333G120-R335 PolarHBondContact O-NH2 3.37Å; D285-R335 IonicContact OD1-NH1 3.17Å; D285-R335 PolarHBondContact OD1-NH1 2.89Å; D285-R335 IonicContact OD2-NH1 2.79Å; D285-R335 PolarHBondContact OD2-NH1 2.83Å; C319-R335 HydrophobicContact CB-CB 4Å; C319-R335 WeakPolarHBondContact CB-O 3.34Å; G320-R335 CarbonylContact O-C 3.52Å; G320-R335 WeakPolarHBondContact O-CA 3.18Å; G320-R335 WeakPolarHBondContact O-CB 3.32Å; G320-R335 PolarHBondContact O-N 3.39Å; Y333-R335 HydrophobicContact CD1-CG 3.51Å; Y333-R335 HydrophobicContact CE1-CG 3.37Å; Y333-R335 HydrophobicContact CG-CG 4.44Å; Y333-R335 PolarHBondContact O-N 2.94Å
336S94.8Very high94.8Very high6 Ų630.4 Ų30.44%0.04217%0.166CC..SBendtrans-74.4164.8-178.278.80000111.3I317 G320 N334 Y338 P362I317-S336 WeakPolarHBondContact O-CB 3.41Å; G320-S336 PolarHBondContact O-N 3.27Å; N334-S336 WeakPolarHBondContact OD1-CB 3.47Å; N334-S336 PolarHBondContact OD1-N 3.13Å; N334-S336 PolarHBondContact OD1-OG 3.24Å; S336-Y338 PolarHBondContact O-N 2.93Å; S336-Y338 PolarHBondContact OG-N 3.2Å; S336-Y338 PolarHBondContact OG-O 2.89Å; S336-P362 WeakPolarHBondContact O-CB 3.48Å; S336-P362 WeakPolarHBondContact O-CG 3.45Å
337S94.6Very high94.6Very high105 Ų10529.9 Ų29.973%0.73416%0.164SC*.SBendtrans-82.12.3173.8-50.50000113.3P362S337-P362 VanDerWaalsContact C-CG 3.45Å
338Y97Very high94.1Very high85 Ų8523.1 Ų23.133%0.33312%0.123SC..SBendtrans-126.4157.7-176.6-66.5-84.5000111.3K316 N334 S336 V400K316-Y338 HydrophobicContact CB-CD2 3.79Å; K316-Y338 HydrophobicContact CB-CE2 3.66Å; K316-Y338 HydrophobicContact CD-CD2 4.41Å; K316-Y338 HydrophobicContact CD-CE1 3.99Å; K316-Y338 HydrophobicContact CD-CE2 3.9Å; K316-Y338 WeakPolarHBondContact CE-OH 3.41Å; K316-Y338 HydrophobicContact CG-CD2 4.23Å; K316-Y338 HydrophobicContact CG-CE2 3.61Å; K316-Y338 PolarHBondContact NZ-OH 3.04Å; K316-Y338 VanDerWaalsContact O-CD2 3.28Å; K316-Y338 WeakPolarHBondContact O-CD2 3.37Å; N334-Y338 PolarHBondContact ND2-O 3.26Å; S336-Y338 PolarHBondContact O-N 2.93Å; S336-Y338 PolarHBondContact OG-N 3.2Å; S336-Y338 PolarHBondContact OG-O 2.89Å; Y338-V400 HydrophobicContact CD1-CG1 4.45Å; Y338-V400 HydrophobicContact CG-CG2 4.23Å
339P97.7Very high93.1Very high29 Ų2924.5 Ų24.519%0.18813%0.13CC..  trans-63.7146.6172.4-21.433.5000111.9F341 K359 V360 F361 V400P339-F341 HydrophobicContact CB-CE2 4.2Å; P339-F341 HydrophobicContact CB-CZ 4.24Å; P339-K359 HydrophobicContact CB-CD 4.42Å; P339-K359 HydrophobicContact CB-CG 3.96Å; P339-V360 WeakPolarHBondContact CA-O 3.41Å; P339-F361 HydrophobicContact CG-CD1 4.11Å; P339-F361 HydrophobicContact CG-CE1 4.34Å; P339-V400 WeakPolarHBondContact O-CA 3.49Å; P339-V400 PolarHBondContact O-N 3.3Å
340I98.4Very high91.8Very high0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-108.6161163.665.5180000108.9I321 V332 N334 I342 V360 I397 S398 F399I321-I340 HydrophobicContact CG2-CD1 3.56Å; I321-I340 HydrophobicContact CG2-CG2 4.05Å; V332-I340 HydrophobicContact CG1-CD1 3.78Å; N334-I340 HydrophobicContact CB-CD1 3.94Å; N334-I340 HydrophobicContact CB-CG1 4.27Å; I340-I342 HydrophobicContact CD1-CD1 3.89Å; I340-I342 HydrophobicContact CD1-CG1 4.34Å; I340-I342 HydrophobicContact CG1-CD1 4.37Å; I340-I342 HydrophobicContact CG1-CG1 4.37Å; I340-V360 HydrophobicContact CD1-CB 4.25Å; I340-V360 HydrophobicContact CG1-CB 3.71Å; I340-V360 HydrophobicContact CG1-CG1 4.42Å; I340-V360 HydrophobicContact CG1-CG2 4.38Å; I340-V360 PolarHBondContact N-O 2.78Å; I340-V360 PolarHBondContact O-N 3.32Å; I340-I397 HydrophobicContact CB-CG2 4.31Å; I340-I397 HydrophobicContact CD1-CG2 4.34Å; I340-S398 CarbonylContact C-O 3.43Å; I340-S398 WeakPolarHBondContact CA-O 3.36Å; I340-F399 HydrophobicContact CG2-CD1 3.92Å; I340-F399 HydrophobicContact CG2-CE1 4.44Å
341F97.7Very high90.2Very high9 Ų935.8 Ų35.84%0.03920%0.196CC..EExtended strand (participates in β ladder)trans-127.8127.6-176.8-61.5-93.7000108.2P339 V357 H358 K359 I397 S398 V400 K401 G402 W403 Y407P339-F341 HydrophobicContact CB-CE2 4.2Å; P339-F341 HydrophobicContact CB-CZ 4.24Å; F341-V357 HydrophobicContact CB-CG1 3.77Å; F341-V357 HydrophobicContact CD1-CG1 4.42Å; F341-H358 CarbonylContact C-O 3.6Å; F341-H358 WeakPolarHBondContact CA-O 3.49Å; F341-K359 HydrophobicContact CD1-CB 3.99Å; F341-K359 HydrophobicContact CD1-CG 4.08Å; F341-K359 HydrophobicContact CE1-CB 3.88Å; F341-K359 HydrophobicContact CE1-CD 3.8Å; F341-K359 HydrophobicContact CE1-CG 3.58Å; F341-K359 HydrophobicContact CZ-CD 4.18Å; F341-K359 HydrophobicContact CZ-CG 4.06Å; F341-I397 CarbonylContact O-C 3.6Å; F341-I397 VanDerWaalsContact O-CA 3.3Å; F341-I397 WeakPolarHBondContact O-CA 3.42Å; F341-S398 PolarHBondContact N-O 2.93Å; F341-S398 PolarHBondContact O-N 3.33Å; F341-V400 WeakPolarHBondContact CE2-O 3.42Å; F341-K401 WeakPolarHBondContact CD2-O 3.42Å; F341-K401 VanDerWaalsContact CE2-C 3.45Å; F341-G402 VanDerWaalsContact CD1-CA 3.43Å; F341-G402 VanDerWaalsContact CE2-N 3.29Å; F341-W403 HydrophobicContact CB-CE3 4Å; F341-W403 HydrophobicContact CB-CH2 4.48Å; F341-W403 HydrophobicContact CB-CZ3 3.54Å; F341-W403 WeakPolarHBondContact O-CH2 3.32Å; F341-W403 VanDerWaalsContact O-CZ3 3.26Å; F341-W403 WeakPolarHBondContact O-CZ3 3.26Å; F341-Y407 HydrophobicContact CD1-CE1 4.18Å; F341-Y407 HydrophobicContact CD1-CE2 4.49Å; F341-Y407 AromaticContact CD1-CZ 3.82Å; F341-Y407 AromaticContact CE1-CE1 3.58Å; F341-Y407 HydrophobicContact CE1-CE1 3.58Å; F341-Y407 AromaticContact CE1-CZ 3.58Å; F341-Y407 VanDerWaalsContact CE1-OH 3.24Å; F341-Y407 WeakPolarHBondContact CE1-OH 3.26Å; F341-Y407 HydrophobicContact CZ-CE1 4.33Å
342I96.5Very high88.8Confident0 Ų036.3 Ų36.30%021%0.205CC..EExtended strand (participates in β ladder)trans-126.1135.1-169.7-57.9-170.4000109.9V332 I340 L347 V357 H358 V360 I366 A368 V395 Q396 I397V332-I342 HydrophobicContact CB-CD1 3.86Å; V332-I342 HydrophobicContact CG1-CD1 3.78Å; V332-I342 HydrophobicContact CG2-CD1 4.03Å; I340-I342 HydrophobicContact CD1-CD1 3.89Å; I340-I342 HydrophobicContact CD1-CG1 4.34Å; I340-I342 HydrophobicContact CG1-CD1 4.37Å; I340-I342 HydrophobicContact CG1-CG1 4.37Å; I342-L347 HydrophobicContact CG2-CD1 3.94Å; I342-V357 WeakPolarHBondContact O-CA 3.28Å; I342-H358 PolarHBondContact N-O 3.25Å; I342-H358 PolarHBondContact O-N 2.74Å; I342-V360 HydrophobicContact CD1-CG2 4.04Å; I342-V360 HydrophobicContact CG1-CG2 4.29Å; I342-I366 HydrophobicContact CD1-CG2 3.72Å; I342-A368 HydrophobicContact CG2-CB 4.14Å; I342-V395 HydrophobicContact CG2-CG1 3.92Å; I342-Q396 CarbonylContact C-O 3.5Å; I342-Q396 WeakPolarHBondContact CA-O 3.46Å; I342-I397 HydrophobicContact CD1-CD1 4.39Å; I342-I397 HydrophobicContact CD1-CG1 4.32Å; I342-I397 HydrophobicContact CD1-CG2 4.48Å; I342-I397 HydrophobicContact CG1-CB 4.48Å; I342-I397 HydrophobicContact CG1-CG1 4.11Å; I342-I397 HydrophobicContact CG1-CG2 4.08Å; I342-I397 HydrophobicContact CG2-CG1 4.43Å
343K93.1Very high87.1Confident61 Ų6148.2 Ų48.227%0.26525%0.249SC..EExtended strand (participates in β ladder)trans-125.9132.5170.6-174.4-176.2177.1-171.80109.2L355 V357 Q396 W403K343-L355 HydrophobicContact CG-CB 4.47Å; K343-V357 HydrophobicContact CB-CG2 4.3Å; K343-V357 HydrophobicContact CD-CG2 4.46Å; K343-Q396 HydrophobicContact CB-CB 4.34Å; K343-Q396 PolarHBondContact N-O 3.2Å; K343-Q396 PolarHBondContact O-N 3.44Å; K343-W403 HydrophobicContact CB-CH2 4.07Å; K343-W403 HydrophobicContact CB-CZ2 3.48Å; K343-W403 VanDerWaalsContact CB-CZ2 3.48Å; K343-W403 HydrophobicContact CD-CZ2 4.23Å; K343-W403 HydrophobicContact CG-CZ2 4.49Å
344S92.2Very high85.4Confident2 Ų250.2 Ų50.21%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-155.8140.1-180179.70000109.4T346 L347 A368 V395S344-T346 PolarHBondContact O-N 3.5Å; S344-T346 PolarHBondContact OG-N 2.75Å; S344-T346 PolarHBondContact OG-OG1 2.93Å; S344-T346 VanDerWaalsContact OG-OG1 3.06Å; S344-L347 PolarHBondContact O-N 2.84Å; S344-A368 WeakPolarHBondContact CB-O 3.42Å; S344-A368 PolarHBondContact OG-O 3.3Å; S344-V395 WeakPolarHBondContact OG-CG2 3.47Å
345A87.7Confident84.1Confident21 Ų2154.4 Ų54.417%0.17429%0.285CS..THydrogen-bonded Turntrans-61-26.3177.900000113.2L377A345-L377 HydrophobicContact CB-CD1 4.06Å
346T89.3Confident83.6Confident4 Ų456.4 Ų56.43%0.02530%0.297CS..THydrogen-bonded Turntrans-87.9-10.4-175.162.40000114.3S344 A368 F369 D370 K373 A374S344-T346 PolarHBondContact O-N 3.5Å; S344-T346 PolarHBondContact OG-N 2.75Å; S344-T346 PolarHBondContact OG-OG1 2.93Å; S344-T346 VanDerWaalsContact OG-OG1 3.06Å; T346-A368 PolarHBondContact OG1-O 2.94Å; T346-F369 HydrophobicContact CG2-CD2 3.96Å; T346-F369 HydrophobicContact CG2-CE2 4Å; T346-F369 WeakPolarHBondContact OG1-CA 3.33Å; T346-D370 WeakPolarHBondContact CG2-O 3.48Å; T346-D370 PolarHBondContact OG1-N 3.39Å; T346-K373 HydrophobicContact CG2-CB 4.11Å; T346-K373 WeakPolarHBondContact O-CD 3.36Å; T346-K373 PolarHBondContact O-NZ 3.48Å; T346-A374 HydrophobicContact CG2-CB 3.8Å
347L88.1Confident83.5Confident13 Ų1357.3 Ų57.37%0.06830%0.303CS..THydrogen-bonded Turntrans-81-28.2177.4-74.8176000112.6L204 I342 S344 I366 K367L204-L347 HydrophobicContact CD2-CD2 4.32Å; I342-L347 HydrophobicContact CG2-CD1 3.94Å; S344-L347 PolarHBondContact O-N 2.84Å; L347-I366 HydrophobicContact CD1-CD1 4.02Å; L347-I366 HydrophobicContact CD2-CD1 3.74Å; L347-I366 HydrophobicContact CD2-CG1 3.89Å; L347-K367 WeakPolarHBondContact CD2-O 3.45Å
348D80.6Confident83.4Confident12 Ų1253.6 Ų53.66%0.06427%0.274CS..SBendtrans-91.2158.9-174.9-59.8-46.9000111.2L355 L356 H358D348-L355 HydrophobicContact CB-CD2 4.35Å; D348-L355 WeakPolarHBondContact OD2-CA 3.45Å; D348-L355 VanDerWaalsContact OD2-CD2 3.31Å; D348-L355 WeakPolarHBondContact OD2-CD2 3.49Å; D348-L356 WeakPolarHBondContact OD1-CB 3.38Å; D348-L356 PolarHBondContact OD1-N 2.85Å; D348-L356 PolarHBondContact OD2-N 3.18Å; D348-H358 IonicContact OD1-CE1 3.91Å; D348-H358 IonicContact OD1-NE2 3.04Å; D348-H358 PolarHBondContact OD1-NE2 2.87Å
349N71.1Confident83.3Confident91 Ų9153.7 Ų53.749%0.48728%0.276SS..  trans-65.2131.3171.8-178.4-20.7000108.4D351 S352N349-D351 PolarHBondContact O-N 2.92Å; N349-D351 VanDerWaalsContact O-N 3.09Å; N349-D351 WeakPolarHBondContact OD1-CB 3.41Å; N349-D351 PolarHBondContact OD1-N 3.43Å; N349-S352 WeakPolarHBondContact O-CA 3.06Å; N349-S352 WeakPolarHBondContact O-CB 3.42Å; N349-S352 PolarHBondContact O-N 3.24Å
350P66.6Low83.3Confident100 Ų10052.3 Ų52.365%0.64927%0.267SS*.THydrogen-bonded Turntrans-53.8-27.217522-35.2000113.9S352 L377P350-S352 VanDerWaalsContact C-N 3.32Å; P350-L377 HydrophobicContact CB-CD2 4.34Å
351D63.7Low83.2Confident139 Ų13957 Ų5774%0.74329%0.287SS*.THydrogen-bonded Turntrans-81-12.6177.1-59-37.6000113.2N349N349-D351 PolarHBondContact O-N 2.92Å; N349-D351 VanDerWaalsContact O-N 3.09Å; N349-D351 WeakPolarHBondContact OD1-CB 3.41Å; N349-D351 PolarHBondContact OD1-N 3.43Å
352S67.2Low83.1Confident45 Ų4558.8 Ų58.832%0.31530%0.3SS..  trans-76.1124.5177-177.40000110.3N349 P350 T354N349-S352 WeakPolarHBondContact O-CA 3.06Å; N349-S352 WeakPolarHBondContact O-CB 3.42Å; N349-S352 PolarHBondContact O-N 3.24Å; P350-S352 VanDerWaalsContact C-N 3.32Å; S352-T354 PolarHBondContact O-N 3.1Å; S352-T354 PolarHBondContact OG-N 2.89Å; S352-T354 PolarHBondContact OG-O 2.65Å; S352-T354 PolarHBondContact OG-OG1 2.83Å
353R61.9Low83.1Confident251 Ų25159 Ų5995%0.94730%0.303SS*.SBendtrans-78.7-4.8173.3-62.8-173.4-177.2-179.40.3113.3
354T63.7Low83.3Confident56 Ų5657.9 Ų57.934%0.34430%0.298SS..SBendtrans-118.4118.3-178.1520000110.3S352 L356S352-T354 PolarHBondContact O-N 3.1Å; S352-T354 PolarHBondContact OG-N 2.89Å; S352-T354 PolarHBondContact OG-O 2.65Å; S352-T354 PolarHBondContact OG-OG1 2.83Å; T354-L356 PolarHBondContact O-N 2.98Å
355L69.2Low83.6Confident88 Ų8857.9 Ų57.946%0.46130%0.298SS..  trans-74.3117.9168.8-67.1176.1000109.5K343 D348K343-L355 HydrophobicContact CG-CB 4.47Å; D348-L355 HydrophobicContact CB-CD2 4.35Å; D348-L355 WeakPolarHBondContact OD2-CA 3.45Å; D348-L355 VanDerWaalsContact OD2-CD2 3.31Å; D348-L355 WeakPolarHBondContact OD2-CD2 3.49Å
356L85.4Confident84Confident67 Ų6757.1 Ų57.135%0.35129%0.291SS..  trans-89.7155-175.4-60.2177.3000111.3D348 T354D348-L356 WeakPolarHBondContact OD1-CB 3.38Å; D348-L356 PolarHBondContact OD1-N 2.85Å; D348-L356 PolarHBondContact OD2-N 3.18Å; T354-L356 PolarHBondContact O-N 2.98Å
357V91.3Very high84.3Confident26 Ų2659.2 Ų59.216%0.15830%0.299CS..  trans-104.9109.8172.9179.80000108.1F341 I342 K343 W403F341-V357 HydrophobicContact CB-CG1 3.77Å; F341-V357 HydrophobicContact CD1-CG1 4.42Å; I342-V357 WeakPolarHBondContact O-CA 3.28Å; K343-V357 HydrophobicContact CB-CG2 4.3Å; K343-V357 HydrophobicContact CD-CG2 4.46Å; V357-W403 WeakPolarHBondContact CB-O 3.3Å; V357-W403 HydrophobicContact CG1-CD2 4.1Å; V357-W403 HydrophobicContact CG1-CE3 3.91Å; V357-W403 HydrophobicContact CG1-CH2 4Å; V357-W403 HydrophobicContact CG1-CZ2 4.19Å; V357-W403 HydrophobicContact CG1-CZ3 3.86Å; V357-W403 HydrophobicContact CG2-CD2 4.08Å; V357-W403 HydrophobicContact CG2-CG 4.41Å; V357-W403 HydrophobicContact CG2-CZ2 3.94Å; V357-W403 VanDerWaalsContact CG2-O 3.22Å; V357-W403 WeakPolarHBondContact CG2-O 3.35Å
358H92.9Very high84.7Confident26 Ų2658.6 Ų58.612%0.1230%0.297CS..EExtended strand (participates in β ladder)trans-87.3126.1-175.6-65-85.7000110.3L204 F341 I342 D348 I366L204-H358 WeakPolarHBondContact CD2-CE1 3.49Å; L204-H358 WeakPolarHBondContact CD2-ND1 3.44Å; F341-H358 CarbonylContact C-O 3.6Å; F341-H358 WeakPolarHBondContact CA-O 3.49Å; I342-H358 PolarHBondContact N-O 3.25Å; I342-H358 PolarHBondContact O-N 2.74Å; D348-H358 IonicContact OD1-CE1 3.91Å; D348-H358 IonicContact OD1-NE2 3.04Å; D348-H358 PolarHBondContact OD1-NE2 2.87Å; H358-I366 HydrophobicContact CB-CD1 4.04Å
359K95.6Very high85.4Confident88 Ų8858 Ų5838%0.38329%0.294SS..EExtended strand (participates in β ladder)trans-89.9120.3178.2-177.9-178.9-178.8-176.20110P339 F341 F361P339-K359 HydrophobicContact CB-CD 4.42Å; P339-K359 HydrophobicContact CB-CG 3.96Å; F341-K359 HydrophobicContact CD1-CB 3.99Å; F341-K359 HydrophobicContact CD1-CG 4.08Å; F341-K359 HydrophobicContact CE1-CB 3.88Å; F341-K359 HydrophobicContact CE1-CD 3.8Å; F341-K359 HydrophobicContact CE1-CG 3.58Å; F341-K359 HydrophobicContact CZ-CD 4.18Å; F341-K359 HydrophobicContact CZ-CG 4.06Å; K359-F361 HydrophobicContact CD-CE1 4.4Å; K359-F361 HydrophobicContact CD-CE2 4.42Å; K359-F361 HydrophobicContact CD-CZ 4.02Å
360V97.2Very high86.4Confident0 Ų054.9 Ų54.90%028%0.277CS..EExtended strand (participates in β ladder)trans-110.6115.8-179.2-173.60000109.8N334 P339 I340 I342 F364 I366N334-V360 HydrophobicContact CB-CG1 4.17Å; N334-V360 PolarHBondContact ND2-O 3.46Å; P339-V360 WeakPolarHBondContact CA-O 3.41Å; I340-V360 HydrophobicContact CD1-CB 4.25Å; I340-V360 HydrophobicContact CG1-CB 3.71Å; I340-V360 HydrophobicContact CG1-CG1 4.42Å; I340-V360 HydrophobicContact CG1-CG2 4.38Å; I340-V360 PolarHBondContact N-O 2.78Å; I340-V360 PolarHBondContact O-N 3.32Å; I342-V360 HydrophobicContact CD1-CG2 4.04Å; I342-V360 HydrophobicContact CG1-CG2 4.29Å; V360-F364 HydrophobicContact CG1-CB 3.82Å; V360-I366 HydrophobicContact CG2-CB 4.17Å; V360-I366 HydrophobicContact CG2-CD1 4.35Å; V360-I366 HydrophobicContact CG2-CG2 3.7Å
361F96.8Very high87.5Confident97 Ų9752.9 Ų52.943%0.42526%0.256SS..  trans-75.3159.4-178.7-70.6-82.5000113N334 P339 K359 G363 F364N334-F361 PolarHBondContact ND2-O 3.48Å; P339-F361 HydrophobicContact CG-CD1 4.11Å; P339-F361 HydrophobicContact CG-CE1 4.34Å; K359-F361 HydrophobicContact CD-CE1 4.4Å; K359-F361 HydrophobicContact CD-CE2 4.42Å; K359-F361 HydrophobicContact CD-CZ 4.02Å; F361-G363 PolarHBondContact O-N 3.47Å; F361-F364 HydrophobicContact CB-CD2 3.65Å; F361-F364 HydrophobicContact CB-CE2 3.9Å; F361-F364 HydrophobicContact CB-CG 4.34Å; F361-F364 WeakPolarHBondContact O-CB 3.24Å; F361-F364 PolarHBondContact O-N 3.45Å
362P96.2Very high88.7Confident47 Ų4753 Ų5331%0.30525%0.252SS..THydrogen-bonded Turntrans-48.6129.8170.8-32.940000113.2S336 S337 F364S336-P362 WeakPolarHBondContact O-CB 3.48Å; S336-P362 WeakPolarHBondContact O-CG 3.45Å; S337-P362 VanDerWaalsContact C-CG 3.45Å; P362-F364 VanDerWaalsContact C-N 3.29Å; P362-F364 WeakPolarHBondContact O-CD2 3.14Å; P362-F364 PolarHBondContact O-N 3.17Å
363G95.7Very high89.7Confident6 Ų655.2 Ų55.26%0.06226%0.256CS..THydrogen-bonded Turntrans82.9-1.9-179.300000115.2W165 R200 N334 F361W165-G363 VanDerWaalsContact CZ2-O 3.25Å; W165-G363 WeakPolarHBondContact CZ2-O 3.3Å; R200-G363 PolarHBondContact N-O 3.49Å; N334-G363 PolarHBondContact O-N 2.9Å; F361-G363 PolarHBondContact O-N 3.47Å
364F97.4Very high90.9Very high36 Ų3643.3 Ų43.316%0.15821%0.212CC..EExtended strand (participates in β ladder)trans-94.7153175.7-71.1-113.5000111.8R200 N334 V360 F361 P362R200-F364 HydrophobicContact CB-CD1 3.84Å; R200-F364 HydrophobicContact CB-CD2 4.36Å; R200-F364 HydrophobicContact CB-CE1 3.92Å; R200-F364 HydrophobicContact CB-CE2 4.41Å; R200-F364 HydrophobicContact CB-CG 4.09Å; R200-F364 HydrophobicContact CB-CZ 4.22Å; R200-F364 HydrophobicContact CG-CD1 3.97Å; R200-F364 HydrophobicContact CG-CE1 3.63Å; R200-F364 HydrophobicContact CG-CZ 4.05Å; R200-F364 CarbonylContact O-C 3.48Å; R200-F364 WeakPolarHBondContact O-CA 3.44Å; N334-F364 PolarHBondContact N-O 3Å; V360-F364 HydrophobicContact CG1-CB 3.82Å; F361-F364 HydrophobicContact CB-CD2 3.65Å; F361-F364 HydrophobicContact CB-CE2 3.9Å; F361-F364 HydrophobicContact CB-CG 4.34Å; F361-F364 WeakPolarHBondContact O-CB 3.24Å; F361-F364 PolarHBondContact O-N 3.45Å; P362-F364 VanDerWaalsContact C-N 3.29Å; P362-F364 WeakPolarHBondContact O-CD2 3.14Å; P362-F364 PolarHBondContact O-N 3.17Å
365S97.7Very high91.9Very high2 Ų244.5 Ų44.51%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-121.3143.3173.1-69.10000110.6S199 R200 C202 V332 Y333S199-S365 WeakPolarHBondContact CB-OG 3.47Å; S199-S365 WeakPolarHBondContact OG-CB 3.41Å; S199-S365 PolarHBondContact OG-OG 3.16Å; R200-S365 PolarHBondContact O-N 3.49Å; C202-S365 WeakPolarHBondContact CB-O 3.39Å; C202-S365 PolarHBondContact N-O 2.73Å; V332-S365 VanDerWaalsContact O-CA 3.22Å; V332-S365 WeakPolarHBondContact O-CA 3.38Å; Y333-S365 WeakPolarHBondContact CB-OG 3.2Å; Y333-S365 WeakPolarHBondContact CD2-OG 3.38Å
366I96.9Very high92.5Very high5 Ų545.1 Ų45.13%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-131143.8172.7-168.8172.6000109.6C202 L204 W331 V332 I342 L347 H358 V360 A368C202-I366 HydrophobicContact CB-CB 3.93Å; C202-I366 HydrophobicContact CB-CD1 4.39Å; C202-I366 HydrophobicContact CB-CG1 4.21Å; L204-I366 HydrophobicContact CD2-CD1 4.21Å; W331-I366 WeakPolarHBondContact CA-O 3.47Å; V332-I366 HydrophobicContact CB-CG2 4.26Å; V332-I366 PolarHBondContact N-O 2.88Å; V332-I366 PolarHBondContact O-N 2.97Å; I342-I366 HydrophobicContact CD1-CG2 3.72Å; L347-I366 HydrophobicContact CD1-CD1 4.02Å; L347-I366 HydrophobicContact CD2-CD1 3.74Å; L347-I366 HydrophobicContact CD2-CG1 3.89Å; H358-I366 HydrophobicContact CB-CD1 4.04Å; V360-I366 HydrophobicContact CG2-CB 4.17Å; V360-I366 HydrophobicContact CG2-CD1 4.35Å; V360-I366 HydrophobicContact CG2-CG2 3.7Å; I366-A368 VanDerWaalsContact C-N 3.3Å; I366-A368 HydrophobicContact CG2-CB 4.43Å; I366-A368 PolarHBondContact O-N 3.33Å
367K96.2Very high92.2Very high48 Ų4845.2 Ų45.221%0.20922%0.223CC..EExtended strand (participates in β ladder)trans-7882.9170.9-170.6-176.3-175.5-1760108.6D328 V330 W331 L347 F369 D370D328-K367 WeakPolarHBondContact O-CE 3.48Å; D328-K367 PolarHBondContact O-NZ 2.91Å; D328-K367 WeakPolarHBondContact OD2-CE 3.43Å; D328-K367 IonicContact OD2-NZ 3.38Å; D328-K367 PolarHBondContact OD2-NZ 3.01Å; V330-K367 CarbonylContact O-C 3.55Å; W331-K367 HydrophobicContact CD2-CB 3.9Å; W331-K367 HydrophobicContact CD2-CG 4.31Å; W331-K367 HydrophobicContact CE3-CB 4.04Å; W331-K367 VanDerWaalsContact CE3-N 3.34Å; W331-K367 HydrophobicContact CH2-CB 3.88Å; W331-K367 HydrophobicContact CZ2-CB 3.74Å; W331-K367 HydrophobicContact CZ2-CD 4.19Å; W331-K367 HydrophobicContact CZ2-CG 4.1Å; W331-K367 HydrophobicContact CZ3-CB 4.02Å; L347-K367 WeakPolarHBondContact CD2-O 3.45Å; K367-F369 PolarHBondContact O-N 2.68Å; K367-D370 WeakPolarHBondContact CE-OD2 3.28Å; K367-D370 IonicContact NZ-OD2 2.65Å; K367-D370 PolarHBondContact NZ-OD2 3.19Å
368A95.8Very high91.1Very high1 Ų148 Ų481%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-69.8-20.1-172.200000113.7V330 V332 I342 S344 T346 I366 V395V330-A368 PolarHBondContact O-N 3.39Å; V332-A368 HydrophobicContact CB-CB 4.42Å; V332-A368 HydrophobicContact CG2-CB 3.46Å; V332-A368 VanDerWaalsContact CG2-CB 3.46Å; I342-A368 HydrophobicContact CG2-CB 4.14Å; S344-A368 WeakPolarHBondContact CB-O 3.42Å; S344-A368 PolarHBondContact OG-O 3.3Å; T346-A368 PolarHBondContact OG1-O 2.94Å; I366-A368 VanDerWaalsContact C-N 3.3Å; I366-A368 HydrophobicContact CG2-CB 4.43Å; I366-A368 PolarHBondContact O-N 3.33Å; A368-V395 HydrophobicContact CB-CG1 4.11Å; A368-V395 HydrophobicContact CB-CG2 4.29Å; A368-V395 VanDerWaalsContact O-CG2 3.32Å; A368-V395 WeakPolarHBondContact O-CG2 3.36Å
369F94.6Very high89.5Confident0 Ų055.6 Ų55.60%026%0.262CS..EExtended strand (participates in β ladder)trans-139.5134.5176.5-168.3-106.6000111.2G329 V330 T346 K367 Y371 A374 G392 F393 V395 F423G329-F369 CarbonylContact C-O 3.55Å; G329-F369 WeakPolarHBondContact CA-O 3.36Å; V330-F369 HydrophobicContact CB-CB 3.81Å; V330-F369 HydrophobicContact CG2-CB 4.07Å; V330-F369 HydrophobicContact CG2-CD1 4.14Å; V330-F369 PolarHBondContact N-O 3.18Å; V330-F369 PolarHBondContact O-N 3.38Å; V330-F369 VanDerWaalsContact O-N 3.1Å; T346-F369 HydrophobicContact CG2-CD2 3.96Å; T346-F369 HydrophobicContact CG2-CE2 4Å; T346-F369 WeakPolarHBondContact OG1-CA 3.33Å; K367-F369 PolarHBondContact O-N 2.68Å; F369-Y371 HydrophobicContact CD1-CD1 4.04Å; F369-Y371 HydrophobicContact CD1-CE1 4.01Å; F369-Y371 AromaticContact CE1-CD1 3.59Å; F369-Y371 HydrophobicContact CE1-CD1 3.59Å; F369-Y371 AromaticContact CE1-CE1 3.8Å; F369-Y371 HydrophobicContact CE1-CE1 3.8Å; F369-Y371 HydrophobicContact CE1-CG 4.34Å; F369-A374 HydrophobicContact CE1-CB 4.13Å; F369-A374 HydrophobicContact CE2-CB 3.62Å; F369-A374 HydrophobicContact CZ-CB 3.29Å; F369-G392 WeakPolarHBondContact CE2-O 3.41Å; F369-F393 AromaticContact CZ-CD1 3.73Å; F369-F393 HydrophobicContact CZ-CD1 3.73Å; F369-F393 HydrophobicContact CZ-CE1 4.03Å; F369-F393 HydrophobicContact CZ-CG 4.31Å; F369-V395 HydrophobicContact CB-CG2 4.24Å; F369-V395 HydrophobicContact CD2-CG2 4.38Å; F369-F423 HydrophobicContact CB-CD2 4.27Å; F369-F423 HydrophobicContact CB-CE2 3.58Å; F369-F423 HydrophobicContact CB-CZ 3.87Å; F369-F423 AromaticContact CD1-CD2 3.81Å; F369-F423 HydrophobicContact CD1-CD2 3.81Å; F369-F423 AromaticContact CD1-CE2 4Å; F369-F423 HydrophobicContact CD1-CE2 4Å; F369-F423 HydrophobicContact CD1-CG 4.21Å; F369-F423 AromaticContact CD2-CD2 3.48Å; F369-F423 HydrophobicContact CD2-CD2 3.48Å; F369-F423 VanDerWaalsContact CD2-CD2 3.48Å; F369-F423 AromaticContact CD2-CE2 3.42Å; F369-F423 HydrophobicContact CD2-CE2 3.42Å; F369-F423 VanDerWaalsContact CD2-CE2 3.42Å; F369-F423 HydrophobicContact CD2-CZ 4.49Å; F369-F423 HydrophobicContact CE1-CB 4.38Å; F369-F423 AromaticContact CE1-CD2 3.92Å; F369-F423 HydrophobicContact CE1-CD2 3.92Å; F369-F423 HydrophobicContact CE1-CG 4.19Å; F369-F423 AromaticContact CE2-CD2 3.61Å; F369-F423 HydrophobicContact CE2-CD2 3.61Å; F369-F423 HydrophobicContact CE2-CE2 4.04Å; F369-F423 AromaticContact CG-CD2 3.58Å; F369-F423 HydrophobicContact CG-CD2 3.58Å; F369-F423 AromaticContact CG-CE2 3.38Å; F369-F423 HydrophobicContact CG-CE2 3.38Å; F369-F423 HydrophobicContact CG-CG 4.39Å; F369-F423 HydrophobicContact CG-CZ 4.08Å; F369-F423 HydrophobicContact CZ-CB 4.42Å; F369-F423 AromaticContact CZ-CD2 3.81Å; F369-F423 HydrophobicContact CZ-CD2 3.81Å; F369-F423 HydrophobicContact CZ-CG 4.37Å
370D93.1Very high87.3Confident25 Ų2557.2 Ų57.213%0.13428%0.281CS..  trans-121.4118.4175.3-173.6-55.4000109T346 K367 E372 K373 A374T346-D370 WeakPolarHBondContact CG2-O 3.48Å; T346-D370 PolarHBondContact OG1-N 3.39Å; K367-D370 WeakPolarHBondContact CE-OD2 3.28Å; K367-D370 IonicContact NZ-OD2 2.65Å; K367-D370 PolarHBondContact NZ-OD2 3.19Å; D370-E372 PolarHBondContact OD1-N 2.85Å; D370-K373 HydrophobicContact CB-CB 4.04Å; D370-K373 HydrophobicContact CB-CD 3.99Å; D370-K373 HydrophobicContact CB-CG 4.06Å; D370-K373 PolarHBondContact O-N 2.92Å; D370-K373 PolarHBondContact OD1-N 3.38Å; D370-K373 VanDerWaalsContact OD1-N 3.15Å; D370-A374 WeakPolarHBondContact O-CB 3.32Å; D370-A374 PolarHBondContact O-N 3.15Å
371Y89.8Confident84.8Confident57 Ų5764 Ų6422%0.22432%0.318CS..Hα-helixtrans-59.8-49.8-174-66.8-70.3000111.5R325 V330 F369 K373 A374 Y375R325-Y371 WeakPolarHBondContact CD-OH 3.37Å; R325-Y371 WeakPolarHBondContact CG-OH 3.35Å; V330-Y371 WeakPolarHBondContact CG2-OH 3.38Å; F369-Y371 HydrophobicContact CD1-CD1 4.04Å; F369-Y371 HydrophobicContact CD1-CE1 4.01Å; F369-Y371 AromaticContact CE1-CD1 3.59Å; F369-Y371 HydrophobicContact CE1-CD1 3.59Å; F369-Y371 AromaticContact CE1-CE1 3.8Å; F369-Y371 HydrophobicContact CE1-CE1 3.8Å; F369-Y371 HydrophobicContact CE1-CG 4.34Å; Y371-K373 PolarHBondContact O-N 3.39Å; Y371-A374 WeakPolarHBondContact O-CB 3.29Å; Y371-A374 PolarHBondContact O-N 3.35Å; Y371-A374 VanDerWaalsContact O-N 3.16Å; Y371-Y375 WeakPolarHBondContact O-CD2 3.38Å; Y371-Y375 PolarHBondContact O-N 3.03Å; Y371-Y375 VanDerWaalsContact O-N 3.08Å
372E88.7Confident82.5Confident141 Ų14163.1 Ų63.166%0.65932%0.317SS*.Hα-helixtrans-62.9-42.7-177.2-64-59.4145.700111.7D370 S376D370-E372 PolarHBondContact OD1-N 2.85Å; E372-S376 WeakPolarHBondContact O-CB 3.37Å; E372-S376 PolarHBondContact O-N 2.75Å; E372-S376 PolarHBondContact O-OG 3.29Å
373K88.3Confident80.3Confident92 Ų9268.4 Ų68.440%0.434%0.338SS..Hα-helixtrans-64.4-40.7175.5-67.6-174.9-178.2-178.50111.9T346 D370 Y371 S376 L377T346-K373 HydrophobicContact CG2-CB 4.11Å; T346-K373 WeakPolarHBondContact O-CD 3.36Å; T346-K373 PolarHBondContact O-NZ 3.48Å; D370-K373 HydrophobicContact CB-CB 4.04Å; D370-K373 HydrophobicContact CB-CD 3.99Å; D370-K373 HydrophobicContact CB-CG 4.06Å; D370-K373 PolarHBondContact O-N 2.92Å; D370-K373 PolarHBondContact OD1-N 3.38Å; D370-K373 VanDerWaalsContact OD1-N 3.15Å; Y371-K373 PolarHBondContact O-N 3.39Å; K373-S376 PolarHBondContact O-N 2.66Å; K373-L377 VanDerWaalsContact O-CG 3.26Å; K373-L377 WeakPolarHBondContact O-CG 3.27Å; K373-L377 PolarHBondContact O-N 3.37Å
374A87.3Confident77.7Confident1 Ų176.5 Ų76.51%0.00837%0.374CS..Hα-helixtrans-62.8-43-179.700000112T346 F369 D370 Y371 L377 F393T346-A374 HydrophobicContact CG2-CB 3.8Å; F369-A374 HydrophobicContact CE1-CB 4.13Å; F369-A374 HydrophobicContact CE2-CB 3.62Å; F369-A374 HydrophobicContact CZ-CB 3.29Å; D370-A374 WeakPolarHBondContact O-CB 3.32Å; D370-A374 PolarHBondContact O-N 3.15Å; Y371-A374 WeakPolarHBondContact O-CB 3.29Å; Y371-A374 PolarHBondContact O-N 3.35Å; Y371-A374 VanDerWaalsContact O-N 3.16Å; A374-L377 PolarHBondContact O-N 3.03Å; A374-F393 HydrophobicContact CB-CE1 4.25Å; A374-F393 HydrophobicContact CB-CE2 4.3Å; A374-F393 HydrophobicContact CB-CZ 4.01Å
375Y83.7Confident74.9Confident82 Ų8282.9 Ų82.932%0.32240%0.402SS..Hα-helixtrans-67.2-39.3175.1-70.9-68.4000112.2Y371 L377 Q378 F393Y371-Y375 WeakPolarHBondContact O-CD2 3.38Å; Y371-Y375 PolarHBondContact O-N 3.03Å; Y371-Y375 VanDerWaalsContact O-N 3.08Å; Y375-L377 PolarHBondContact O-N 3.29Å; Y375-Q378 WeakPolarHBondContact O-CB 3.18Å; Y375-Q378 PolarHBondContact O-N 2.95Å; Y375-F393 HydrophobicContact CD1-CZ 4.01Å; Y375-F393 HydrophobicContact CE1-CE1 4.29Å; Y375-F393 AromaticContact CE1-CZ 3.92Å; Y375-F393 HydrophobicContact CE1-CZ 3.92Å
376S83Confident72.3Confident101 Ų10189.8 Ų89.871%0.70644%0.436SS*.Hα-helixtrans-64.5-25.9177.2-58.90000113.5E372 K373 Q378E372-S376 WeakPolarHBondContact O-CB 3.37Å; E372-S376 PolarHBondContact O-N 2.75Å; E372-S376 PolarHBondContact O-OG 3.29Å; K373-S376 PolarHBondContact O-N 2.66Å; S376-Q378 VanDerWaalsContact C-N 3.32Å
377L77.3Confident69.5Low69 Ų6999.4 Ų99.436%0.36148%0.481SS..THydrogen-bonded Turntrans-79.8-11.4175.6-70.1169.6000113.1A345 P350 K373 A374 Y375 R379A345-L377 HydrophobicContact CB-CD1 4.06Å; P350-L377 HydrophobicContact CB-CD2 4.34Å; K373-L377 VanDerWaalsContact O-CG 3.26Å; K373-L377 WeakPolarHBondContact O-CG 3.27Å; K373-L377 PolarHBondContact O-N 3.37Å; A374-L377 PolarHBondContact O-N 3.03Å; Y375-L377 PolarHBondContact O-N 3.29Å; L377-R379 PolarHBondContact O-N 2.69Å
378Q68.6Low66.8Low85 Ų85104.1 Ų104.140%0.39750%0.503SS..  trans-70.9112172.8-66.9-179.3-19.600109.3Y375 S376 F393Y375-Q378 WeakPolarHBondContact O-CB 3.18Å; Y375-Q378 PolarHBondContact O-N 2.95Å; S376-Q378 VanDerWaalsContact C-N 3.32Å; Q378-F393 HydrophobicContact CG-CE2 4.1Å
379R59.1Low64.4Low184 Ų184109.1 Ų109.169%0.69454%0.536SS*.  trans-85.9137.7173.5-61-168-166.7-162.45.2110.4L377 N381 D382L377-R379 PolarHBondContact O-N 2.69Å; R379-N381 PolarHBondContact O-N 2.78Å; R379-N381 VanDerWaalsContact O-N 3.1Å; R379-D382 PolarHBondContact O-N 3.02Å
380P49.4Very low62.5Low123 Ų123116 Ų11680%0.79956%0.562SS**THydrogen-bonded Turntrans-59.8-21.9-177.9-26.333.9000116.4
381N45.8Very low61.1Low143 Ų143120 Ų12077%0.76559%0.587SS**THydrogen-bonded Turntrans-102.35.8-176.1-91.37.5000114.7R379 H383R379-N381 PolarHBondContact O-N 2.78Å; R379-N381 VanDerWaalsContact O-N 3.1Å; N381-H383 PolarHBondContact O-N 3.38Å
382D47.8Very low60.4Low77 Ų77118 Ų11841%0.41259%0.585SS.*G310 helixtrans-75.50.7-179.6-77.9-18.1000113.5R379 E384 W390R379-D382 PolarHBondContact O-N 3.02Å; D382-E384 PolarHBondContact O-N 2.7Å; D382-W390 HydrophobicContact CB-CZ3 4.41Å
383H50.5Low60.4Low158 Ų158111.8 Ų111.873%0.73156%0.555SS**G310 helixtrans-64.7-22.8175.5-77.5-159.8000113.4N381N381-H383 PolarHBondContact O-N 3.38Å
384E41.2Very low60.5Low177 Ų177108.3 Ų108.383%0.82754%0.542SS*.G310 helixtrans-91.5-10.5-174.8-63.7-157127.300114.3D382D382-E384 PolarHBondContact O-N 2.7Å
385F39Very low60.9Low170 Ų170108.3 Ų108.375%0.74654%0.542SS*.SBendtrans-115.593.6179.3-89.4-92.6000113.1
386M41.4Very low61.6Low147 Ų147106.4 Ų106.472%0.72454%0.536SS*.  trans84.3136.6139.3-58.5178.268.400120.5Q388M386-Q388 PolarHBondContact O-N 3.33Å
387Q38.3Very low62.3Low207 Ų207101.6 Ų101.697%0.96750%0.502SS*.SBendtrans-50.726.6171.3-63.6167.8-0.300117.4
388Q39.6Very low63.3Low146 Ų14698.3 Ų98.368%0.68249%0.485SS*.SBendtrans-102.5140.3176.4-80.5-173.5-1300112.1M386 W390M386-Q388 PolarHBondContact O-N 3.33Å; Q388-W390 PolarHBondContact O-N 3.41Å
389P45.4Very low64.8Low106 Ų10694.3 Ų94.369%0.68847%0.466SS*.  trans-54.5137.3174.1-2130.4000110.9T391P389-T391 PolarHBondContact O-N 3.46Å
390W55.2Low66.6Low144 Ų14486.7 Ų86.755%0.54544%0.44SS..  trans-54.7100.6178.8-63.286.4000111D382 Q388 G392 F393D382-W390 HydrophobicContact CB-CZ3 4.41Å; Q388-W390 PolarHBondContact O-N 3.41Å; W390-G392 PolarHBondContact O-N 3.11Å; W390-G392 VanDerWaalsContact O-N 3.11Å; W390-F393 PolarHBondContact O-N 2.88Å; W390-F393 VanDerWaalsContact O-N 3.16Å
391T63.7Low68.9Low109 Ų10984.6 Ų84.667%0.66942%0.418SS*.G310 helixtrans-60.8-23.1-178.356.80000112.7P389 F393 T394P389-T391 PolarHBondContact O-N 3.46Å; T391-F393 VanDerWaalsContact C-N 3.29Å; T391-F393 PolarHBondContact O-N 2.76Å; T391-T394 PolarHBondContact O-N 3.31Å
392G74.6Confident71.2Confident17 Ų1778.2 Ų78.218%0.17539%0.386CS..G310 helixtrans-66.1-23.7177.800000114.9F369 W390F369-G392 WeakPolarHBondContact CE2-O 3.41Å; W390-G392 PolarHBondContact O-N 3.11Å; W390-G392 VanDerWaalsContact O-N 3.11Å
393F88.8Confident73.4Confident10 Ų1074.9 Ų74.94%0.04437%0.368CS..G310 helixtrans-107.420.7-179.3-75-100.8000112.6F369 A374 Y375 Q378 W390 T391 F423F369-F393 AromaticContact CZ-CD1 3.73Å; F369-F393 HydrophobicContact CZ-CD1 3.73Å; F369-F393 HydrophobicContact CZ-CE1 4.03Å; F369-F393 HydrophobicContact CZ-CG 4.31Å; A374-F393 HydrophobicContact CB-CE1 4.25Å; A374-F393 HydrophobicContact CB-CE2 4.3Å; A374-F393 HydrophobicContact CB-CZ 4.01Å; Y375-F393 HydrophobicContact CD1-CZ 4.01Å; Y375-F393 HydrophobicContact CE1-CE1 4.29Å; Y375-F393 AromaticContact CE1-CZ 3.92Å; Y375-F393 HydrophobicContact CE1-CZ 3.92Å; Q378-F393 HydrophobicContact CG-CE2 4.1Å; W390-F393 PolarHBondContact O-N 2.88Å; W390-F393 VanDerWaalsContact O-N 3.16Å; T391-F393 VanDerWaalsContact C-N 3.29Å; T391-F393 PolarHBondContact O-N 2.76Å; F393-F423 HydrophobicContact CD1-CB 4.35Å; F393-F423 VanDerWaalsContact O-CD2 3.25Å; F393-F423 WeakPolarHBondContact O-CD2 3.33Å; F393-F423 PolarHBondContact O-N 3.04Å
394T91.7Very high75.3Confident18 Ų1867.9 Ų67.911%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-121.8134.8-178.6-56.50000110.8T391 Q396 E420 V421 I422T391-T394 PolarHBondContact O-N 3.31Å; T394-Q396 HydrophobicContact CG2-CG 4.44Å; T394-E420 HydrophobicContact CG2-CG 3.48Å; T394-E420 VanDerWaalsContact CG2-CG 3.48Å; T394-V421 CarbonylContact C-O 3.5Å; T394-V421 VanDerWaalsContact CA-O 3.29Å; T394-V421 WeakPolarHBondContact CA-O 3.36Å; T394-I422 HydrophobicContact CG2-CG1 4.46Å
395V95.7Very high77.3Confident2 Ų266.7 Ų66.71%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-112.8129.2169.5166.50000108.9I342 S344 A368 F369 I397 V421 F423I342-V395 HydrophobicContact CG2-CG1 3.92Å; S344-V395 WeakPolarHBondContact OG-CG2 3.47Å; A368-V395 HydrophobicContact CB-CG1 4.11Å; A368-V395 HydrophobicContact CB-CG2 4.29Å; A368-V395 VanDerWaalsContact O-CG2 3.32Å; A368-V395 WeakPolarHBondContact O-CG2 3.36Å; F369-V395 HydrophobicContact CB-CG2 4.24Å; F369-V395 HydrophobicContact CD2-CG2 4.38Å; V395-I397 HydrophobicContact CG1-CD1 3.99Å; V395-I397 HydrophobicContact CG1-CG1 3.72Å; V395-V421 HydrophobicContact CB-CB 4.31Å; V395-V421 PolarHBondContact N-O 2.81Å; V395-V421 PolarHBondContact O-N 3.27Å; V395-F423 HydrophobicContact CB-CE2 4.06Å; V395-F423 HydrophobicContact CB-CZ 4.23Å; V395-F423 HydrophobicContact CG2-CE2 3.52Å; V395-F423 HydrophobicContact CG2-CZ 3.93Å
396Q97.4Very high79.6Confident42 Ų4264 Ų6420%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-107.9126.2179.7-81.4-175.8-15.100109.8I342 K343 T394 W403 I412 W418I342-Q396 CarbonylContact C-O 3.5Å; I342-Q396 WeakPolarHBondContact CA-O 3.46Å; K343-Q396 HydrophobicContact CB-CB 4.34Å; K343-Q396 PolarHBondContact N-O 3.2Å; K343-Q396 PolarHBondContact O-N 3.44Å; T394-Q396 HydrophobicContact CG2-CG 4.44Å; Q396-W403 HydrophobicContact CB-CH2 4.48Å; Q396-W403 HydrophobicContact CB-CZ2 4.28Å; Q396-I412 HydrophobicContact CB-CD1 3.54Å; Q396-I412 HydrophobicContact CG-CD1 3.98Å; Q396-W418 HydrophobicContact CG-CZ3 4.49Å
397I98.5Very high81.9Confident0 Ų060.2 Ų60.20%031%0.312CS..EExtended strand (participates in β ladder)trans-130.3119.7-174.2-51.5177.2000110I321 L323 V332 I340 F341 I342 V395 W418 L419 V421I321-I397 HydrophobicContact CD1-CD1 3.83Å; I321-I397 HydrophobicContact CD1-CG2 4.4Å; L323-I397 HydrophobicContact CD2-CD1 4.2Å; V332-I397 HydrophobicContact CG1-CD1 4.29Å; V332-I397 HydrophobicContact CG2-CD1 4.04Å; I340-I397 HydrophobicContact CB-CG2 4.31Å; I340-I397 HydrophobicContact CD1-CG2 4.34Å; F341-I397 CarbonylContact O-C 3.6Å; F341-I397 VanDerWaalsContact O-CA 3.3Å; F341-I397 WeakPolarHBondContact O-CA 3.42Å; I342-I397 HydrophobicContact CD1-CD1 4.39Å; I342-I397 HydrophobicContact CD1-CG1 4.32Å; I342-I397 HydrophobicContact CD1-CG2 4.48Å; I342-I397 HydrophobicContact CG1-CB 4.48Å; I342-I397 HydrophobicContact CG1-CG1 4.11Å; I342-I397 HydrophobicContact CG1-CG2 4.08Å; I342-I397 HydrophobicContact CG2-CG1 4.43Å; V395-I397 HydrophobicContact CG1-CD1 3.99Å; V395-I397 HydrophobicContact CG1-CG1 3.72Å; I397-W418 CarbonylContact O-C 3.49Å; I397-W418 WeakPolarHBondContact O-CA 3.45Å; I397-W418 VanDerWaalsContact O-CB 3.31Å; I397-W418 WeakPolarHBondContact O-CB 3.47Å; I397-L419 HydrophobicContact CB-CB 4.33Å; I397-L419 PolarHBondContact N-O 2.75Å; I397-L419 PolarHBondContact O-N 3.11Å; I397-V421 HydrophobicContact CD1-CG2 4.29Å
398S98.6Very high84.3Confident0 Ų057 Ų570%031%0.307CS..EExtended strand (participates in β ladder)trans-105.5140.7171.4-170.40000112.4I340 F341 K401 W403 C415 C417I340-S398 CarbonylContact C-O 3.43Å; I340-S398 WeakPolarHBondContact CA-O 3.36Å; F341-S398 PolarHBondContact N-O 2.93Å; F341-S398 PolarHBondContact O-N 3.33Å; S398-K401 WeakPolarHBondContact CB-O 3.23Å; S398-K401 PolarHBondContact OG-O 3.34Å; S398-W403 VanDerWaalsContact CB-CZ3 3.41Å; S398-C415 WeakPolarHBondContact OG-CB 3.34Å; S398-C415 PolarHBondContact OG-SG 2.92Å; S398-C417 PolarHBondContact OG-O 3.34Å; S398-C417 VanDerWaalsContact OG-O 3.1Å
399F98.5Very high86.9Confident1 Ų153.1 Ų53.10%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-88.8133.9175.1-62.4-78.2000111.1L298 V313 I317 I321 I340 K401 C417 L419L298-F399 HydrophobicContact CD1-CE2 3.97Å; L298-F399 HydrophobicContact CD1-CZ 4.21Å; V313-F399 HydrophobicContact CG1-CB 4.34Å; V313-F399 WeakPolarHBondContact CG1-O 3.22Å; I317-F399 HydrophobicContact CD1-CB 4.42Å; I317-F399 HydrophobicContact CD1-CD2 3.79Å; I317-F399 HydrophobicContact CD1-CE2 4.11Å; I317-F399 HydrophobicContact CD1-CG 4.06Å; I317-F399 HydrophobicContact CG1-CB 3.87Å; I317-F399 HydrophobicContact CG1-CD1 4.06Å; I317-F399 HydrophobicContact CG1-CD2 4.01Å; I317-F399 HydrophobicContact CG1-CG 3.73Å; I317-F399 HydrophobicContact CG2-CD1 4.09Å; I317-F399 HydrophobicContact CG2-CE1 3.91Å; I317-F399 HydrophobicContact CG2-CZ 4.2Å; I321-F399 HydrophobicContact CG2-CE1 4.11Å; I340-F399 HydrophobicContact CG2-CD1 3.92Å; I340-F399 HydrophobicContact CG2-CE1 4.44Å; F399-K401 PolarHBondContact O-N 3.04Å; F399-C417 HydrophobicContact CD2-CB 4.28Å; F399-C417 PolarHBondContact N-O 3.18Å; F399-C417 VanDerWaalsContact N-O 3.12Å; F399-L419 HydrophobicContact CE2-CD1 3.81Å; F399-L419 HydrophobicContact CE2-CD2 4.35Å; F399-L419 HydrophobicContact CE2-CG 3.73Å; F399-L419 HydrophobicContact CZ-CD1 3.59Å; F399-L419 HydrophobicContact CZ-CG 4.07Å
400V97.7Very high89.1Confident24 Ų2452.8 Ų52.815%0.14528%0.276CS..SBendtrans66.8-34.7170.4-171.30000115.3V313 K316 Y338 P339 F341V313-V400 HydrophobicContact CG1-CB 4.07Å; V313-V400 HydrophobicContact CG1-CG2 4.02Å; V313-V400 HydrophobicContact CG2-CB 4.44Å; K316-V400 HydrophobicContact CB-CG2 3.78Å; K316-V400 HydrophobicContact CD-CG1 4.19Å; Y338-V400 HydrophobicContact CD1-CG1 4.45Å; Y338-V400 HydrophobicContact CG-CG2 4.23Å; P339-V400 WeakPolarHBondContact O-CA 3.49Å; P339-V400 PolarHBondContact O-N 3.3Å; F341-V400 WeakPolarHBondContact CE2-O 3.42Å
401K97.2Very high91Very high79 Ų7952.8 Ų52.834%0.34328%0.279SS..  trans-116.2125.6-174.4-60.4-57.7-175178.80110.5V313 F341 S398 F399 P416V313-K401 HydrophobicContact CG2-CG 4.14Å; F341-K401 WeakPolarHBondContact CD2-O 3.42Å; F341-K401 VanDerWaalsContact CE2-C 3.45Å; S398-K401 WeakPolarHBondContact CB-O 3.23Å; S398-K401 PolarHBondContact OG-O 3.34Å; F399-K401 PolarHBondContact O-N 3.04Å; K401-P416 HydrophobicContact CG-CG 4.12Å
402G94.6Very high92.5Very high9 Ų948.3 Ų48.39%0.09325%0.252CS..  trans-83.7162.2173.600000112.5F341F341-G402 VanDerWaalsContact CD1-CA 3.43Å; F341-G402 VanDerWaalsContact CE2-N 3.29Å
403W95.1Very high93.5Very high6 Ų649.3 Ų49.32%0.02326%0.256CS..  trans-142.1168.9173.578.599.3000110.8F341 K343 V357 Q396 S398 Y407 R409 I412F341-W403 HydrophobicContact CB-CE3 4Å; F341-W403 HydrophobicContact CB-CH2 4.48Å; F341-W403 HydrophobicContact CB-CZ3 3.54Å; F341-W403 WeakPolarHBondContact O-CH2 3.32Å; F341-W403 VanDerWaalsContact O-CZ3 3.26Å; F341-W403 WeakPolarHBondContact O-CZ3 3.26Å; K343-W403 HydrophobicContact CB-CH2 4.07Å; K343-W403 HydrophobicContact CB-CZ2 3.48Å; K343-W403 VanDerWaalsContact CB-CZ2 3.48Å; K343-W403 HydrophobicContact CD-CZ2 4.23Å; K343-W403 HydrophobicContact CG-CZ2 4.49Å; V357-W403 WeakPolarHBondContact CB-O 3.3Å; V357-W403 HydrophobicContact CG1-CD2 4.1Å; V357-W403 HydrophobicContact CG1-CE3 3.91Å; V357-W403 HydrophobicContact CG1-CH2 4Å; V357-W403 HydrophobicContact CG1-CZ2 4.19Å; V357-W403 HydrophobicContact CG1-CZ3 3.86Å; V357-W403 HydrophobicContact CG2-CD2 4.08Å; V357-W403 HydrophobicContact CG2-CG 4.41Å; V357-W403 HydrophobicContact CG2-CZ2 3.94Å; V357-W403 VanDerWaalsContact CG2-O 3.22Å; V357-W403 WeakPolarHBondContact CG2-O 3.35Å; Q396-W403 HydrophobicContact CB-CH2 4.48Å; Q396-W403 HydrophobicContact CB-CZ2 4.28Å; S398-W403 VanDerWaalsContact CB-CZ3 3.41Å; W403-Y407 VanDerWaalsContact C-CD2 3.42Å; W403-Y407 WeakPolarHBondContact O-CD2 3.33Å; W403-R409 CarbonylContact C-O 3.35Å; W403-R409 WeakPolarHBondContact CA-O 3.32Å; W403-R409 HydrophobicContact CB-CB 3.98Å; W403-R409 WeakPolarHBondContact CB-O 2.85Å; W403-I412 HydrophobicContact CD2-CB 4.12Å; W403-I412 HydrophobicContact CD2-CG1 4.23Å; W403-I412 HydrophobicContact CE3-CG1 4.39Å; W403-I412 HydrophobicContact CG-CB 4.31Å; W403-I412 HydrophobicContact CH2-CD1 3.76Å; W403-I412 HydrophobicContact CH2-CG1 4.38Å; W403-I412 HydrophobicContact CZ2-CB 4.22Å; W403-I412 HydrophobicContact CZ2-CD1 3.7Å; W403-I412 HydrophobicContact CZ2-CG1 4.18Å; W403-I412 HydrophobicContact CZ3-CD1 4.21Å; W403-I412 HydrophobicContact CZ3-CG1 4.47Å
404G89.6Confident93.9Very high12 Ų1250.9 Ų50.912%0.12427%0.268CS..SBendtrans104.1-169.8-177.800000112.4C406 Y407 R409G404-C406 PolarHBondContact O-N 2.71Å; G404-C406 VanDerWaalsContact O-N 3.15Å; G404-Y407 PolarHBondContact O-N 3.23Å; G404-Y407 VanDerWaalsContact O-O 3.11Å; G404-R409 PolarHBondContact N-O 3.36Å
405Q83.8Confident94.2Very high151 Ų15150 Ų5071%0.70626%0.262SS*.THydrogen-bonded Turntrans-59-32.1-169.5-65.2174-2.500113.7Y407Q405-Y407 VanDerWaalsContact C-N 3.27Å; Q405-Y407 PolarHBondContact O-N 2.7Å
406C85.5Confident94.3Very high113 Ų11349.9 Ų49.976%0.76426%0.262SS*.THydrogen-bonded Turntrans-85.96.6179.6-54.50000113.7G404G404-C406 PolarHBondContact O-N 2.71Å; G404-C406 VanDerWaalsContact O-N 3.15Å
407Y90.1Very high94.3Very high69 Ų6947.9 Ų47.927%0.27125%0.253SS..SBendtrans-133.6160.2-173.6-58.4-85.6000111.5F341 W403 G404 Q405 R409 Q410F341-Y407 HydrophobicContact CD1-CE1 4.18Å; F341-Y407 HydrophobicContact CD1-CE2 4.49Å; F341-Y407 AromaticContact CD1-CZ 3.82Å; F341-Y407 AromaticContact CE1-CE1 3.58Å; F341-Y407 HydrophobicContact CE1-CE1 3.58Å; F341-Y407 AromaticContact CE1-CZ 3.58Å; F341-Y407 VanDerWaalsContact CE1-OH 3.24Å; F341-Y407 WeakPolarHBondContact CE1-OH 3.26Å; F341-Y407 HydrophobicContact CZ-CE1 4.33Å; W403-Y407 VanDerWaalsContact C-CD2 3.42Å; W403-Y407 WeakPolarHBondContact O-CD2 3.33Å; G404-Y407 PolarHBondContact O-N 3.23Å; G404-Y407 VanDerWaalsContact O-O 3.11Å; Q405-Y407 VanDerWaalsContact C-N 3.27Å; Q405-Y407 PolarHBondContact O-N 2.7Å; Y407-R409 PolarHBondContact O-N 3.02Å; Y407-Q410 PolarHBondContact O-NE2 3.39Å
408T90.2Very high94.3Very high140 Ų14048.5 Ų48.586%0.85926%0.255SS*.SBendtrans-66.8-28.4175.852.90000112.6
409R93.4Very high94.3Very high64 Ų6448.5 Ų48.524%0.24226%0.255CS..  trans-88120.8176.2-62.5178.3-170.7-73.1-13.9108.7L309 W403 G404 Y407 S414L309-R409 VanDerWaalsContact CD2-NH2 3.28Å; W403-R409 CarbonylContact C-O 3.35Å; W403-R409 WeakPolarHBondContact CA-O 3.32Å; W403-R409 HydrophobicContact CB-CB 3.98Å; W403-R409 WeakPolarHBondContact CB-O 2.85Å; G404-R409 PolarHBondContact N-O 3.36Å; Y407-R409 PolarHBondContact O-N 3.02Å; R409-S414 WeakPolarHBondContact CD-O 3.04Å; R409-S414 PolarHBondContact NH1-O 2.99Å
410Q92.1Very high94.3Very high99 Ų9950.5 Ų50.546%0.46326%0.264SS..  trans-85.9-31.3179.6-62.7-53.5-46.200113.1Y407Y407-Q410 PolarHBondContact O-NE2 3.39Å
411F93.6Very high94.3Very high143 Ų14349.4 Ų49.463%0.62726%0.257SS*.SBendtrans-115.7147.6-176.8-56.1-76.9000111.4S413 S414F411-S413 PolarHBondContact O-N 3.47Å; F411-S414 VanDerWaalsContact O-CB 3.29Å; F411-S414 WeakPolarHBondContact O-CB 3.49Å; F411-S414 PolarHBondContact O-N 2.69Å
412I95.3Very high94.2Very high16 Ų1648.4 Ų48.48%0.08226%0.255CS..G310 helixtrans-63.4-31.5176.4-169.7166000112.3Q396 W403 S414 C415 W418Q396-I412 HydrophobicContact CB-CD1 3.54Å; Q396-I412 HydrophobicContact CG-CD1 3.98Å; W403-I412 HydrophobicContact CD2-CB 4.12Å; W403-I412 HydrophobicContact CD2-CG1 4.23Å; W403-I412 HydrophobicContact CE3-CG1 4.39Å; W403-I412 HydrophobicContact CG-CB 4.31Å; W403-I412 HydrophobicContact CH2-CD1 3.76Å; W403-I412 HydrophobicContact CH2-CG1 4.38Å; W403-I412 HydrophobicContact CZ2-CB 4.22Å; W403-I412 HydrophobicContact CZ2-CD1 3.7Å; W403-I412 HydrophobicContact CZ2-CG1 4.18Å; W403-I412 HydrophobicContact CZ3-CD1 4.21Å; W403-I412 HydrophobicContact CZ3-CG1 4.47Å; I412-S414 PolarHBondContact O-N 2.77Å; I412-S414 VanDerWaalsContact O-N 3.14Å; I412-C415 WeakPolarHBondContact O-CA 3.43Å; I412-C415 WeakPolarHBondContact O-CB 3.48Å; I412-C415 PolarHBondContact O-N 2.77Å; I412-W418 HydrophobicContact CD1-CB 4.08Å; I412-W418 HydrophobicContact CD1-CD2 3.74Å; I412-W418 HydrophobicContact CD1-CE3 3.33Å; I412-W418 HydrophobicContact CD1-CG 4.08Å; I412-W418 HydrophobicContact CD1-CZ3 3.99Å; I412-W418 HydrophobicContact CG1-CB 4.04Å; I412-W418 HydrophobicContact CG1-CD2 3.62Å; I412-W418 HydrophobicContact CG1-CE3 3.73Å; I412-W418 HydrophobicContact CG1-CG 3.77Å; I412-W418 HydrophobicContact CG1-CZ3 4.4Å; I412-W418 HydrophobicContact CG2-CE3 4.43Å; I412-W418 HydrophobicContact CG2-CH2 4.3Å; I412-W418 HydrophobicContact CG2-CZ2 4.44Å; I412-W418 HydrophobicContact CG2-CZ3 4.27Å
413S96.3Very high94Very high37 Ų3748.5 Ų48.526%0.25925%0.253SS..G310 helixtrans-68.8-9.9176.161.80000113.5E269 F411 C415E269-S413 CarbonylContact C-O 3.06Å; E269-S413 WeakPolarHBondContact CA-O 3.25Å; E269-S413 WeakPolarHBondContact O-CA 3.16Å; F411-S413 PolarHBondContact O-N 3.47Å; S413-C415 VanDerWaalsContact C-N 3.33Å
414S96.6Very high93.6Very high43 Ų4350.6 Ų50.630%0.30127%0.265SS..G310 helixtrans-84-9.3166.5-55.60000112R409 F411 I412R409-S414 WeakPolarHBondContact CD-O 3.04Å; R409-S414 PolarHBondContact NH1-O 2.99Å; F411-S414 VanDerWaalsContact O-CB 3.29Å; F411-S414 WeakPolarHBondContact O-CB 3.49Å; F411-S414 PolarHBondContact O-N 2.69Å; I412-S414 PolarHBondContact O-N 2.77Å; I412-S414 VanDerWaalsContact O-N 3.14Å
415C97.7Very high92.3Very high0 Ų053.6 Ų53.60%028%0.284CS..SBendtrans-78.2139.7177.7-71.40000111.5E269 S398 I412 S413 C417E269-C415 VanDerWaalsContact CA-O 3.29Å; E269-C415 WeakPolarHBondContact CA-O 3.43Å; E269-C415 PolarHBondContact N-O 3.47Å; S398-C415 WeakPolarHBondContact OG-CB 3.34Å; S398-C415 PolarHBondContact OG-SG 2.92Å; I412-C415 WeakPolarHBondContact O-CA 3.43Å; I412-C415 WeakPolarHBondContact O-CB 3.48Å; I412-C415 PolarHBondContact O-N 2.77Å; S413-C415 VanDerWaalsContact C-N 3.33Å; C415-C417 PolarHBondContact O-N 2.82Å
416P97.8Very high90.8Very high0 Ų058.6 Ų58.60%030%0.297CS..SBendtrans-64.9-38.7-174.8-23.135.1000113.8E268 E269 L309 V310 V313 K401E268-P416 VanDerWaalsContact CA-O 3.25Å; E268-P416 WeakPolarHBondContact CA-O 3.15Å; E269-P416 PolarHBondContact N-O 3.01Å; L309-P416 HydrophobicContact CD1-CG 4.41Å; L309-P416 HydrophobicContact CD2-CG 3.62Å; L309-P416 HydrophobicContact CG-CB 4.21Å; L309-P416 HydrophobicContact CG-CG 3.62Å; V310-P416 HydrophobicContact CB-CB 4.45Å; V310-P416 HydrophobicContact CG2-CB 3.88Å; V313-P416 HydrophobicContact CB-CB 4.05Å; V313-P416 HydrophobicContact CG1-CB 4.44Å; V313-P416 HydrophobicContact CG2-CB 3.95Å; V313-P416 HydrophobicContact CG2-CG 3.96Å; K401-P416 HydrophobicContact CG-CG 4.12Å
417C98.3Very high91.1Very high0 Ų055.9 Ų55.90%027%0.273CS..SBendtrans-140.6126.4179.6-54.30000108.9Y266 W267 V313 I317 S398 F399 C415Y266-C417 HydrophobicContact CE2-CB 4.09Å; Y266-C417 PolarHBondContact OH-SG 3.43Å; W267-C417 WeakPolarHBondContact O-CA 3.29Å; V313-C417 HydrophobicContact CG1-CB 3.77Å; I317-C417 HydrophobicContact CD1-CB 4.21Å; S398-C417 PolarHBondContact OG-O 3.34Å; S398-C417 VanDerWaalsContact OG-O 3.1Å; F399-C417 HydrophobicContact CD2-CB 4.28Å; F399-C417 PolarHBondContact N-O 3.18Å; F399-C417 VanDerWaalsContact N-O 3.12Å; C415-C417 PolarHBondContact O-N 2.82Å
418W98.6Very high91.1Very high13 Ų1355.2 Ų55.25%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-152.9164.1179.463.6-79.7000112.2Y266 W267 E269 Q396 I397 I412 E420Y266-W418 WeakPolarHBondContact CD2-O 3.24Å; W267-W418 HydrophobicContact CB-CD2 3.66Å; W267-W418 HydrophobicContact CB-CE3 4.34Å; W267-W418 HydrophobicContact CB-CG 4.01Å; W267-W418 HydrophobicContact CB-CH2 4.23Å; W267-W418 HydrophobicContact CB-CZ2 3.53Å; W267-W418 VanDerWaalsContact CB-NE1 3.29Å; W267-W418 AromaticContact CD1-CE3 3.92Å; W267-W418 AromaticContact CD1-CH2 3.59Å; W267-W418 AromaticContact CD1-CZ2 3.81Å; W267-W418 AromaticContact CD1-CZ3 3.68Å; W267-W418 AromaticContact CD2-CH2 3.84Å; W267-W418 HydrophobicContact CD2-CH2 3.84Å; W267-W418 AromaticContact CD2-CZ2 3.63Å; W267-W418 HydrophobicContact CD2-CZ2 3.63Å; W267-W418 AromaticContact CE2-CH2 3.94Å; W267-W418 HydrophobicContact CE3-CZ2 4.05Å; W267-W418 HydrophobicContact CG-CD2 4.06Å; W267-W418 AromaticContact CG-CE2 3.61Å; W267-W418 HydrophobicContact CG-CE3 4.28Å; W267-W418 AromaticContact CG-CH2 3.67Å; W267-W418 HydrophobicContact CG-CH2 3.67Å; W267-W418 AromaticContact CG-CZ2 3.39Å; W267-W418 HydrophobicContact CG-CZ2 3.39Å; W267-W418 HydrophobicContact CG-CZ3 4.13Å; W267-W418 PolarHBondContact N-O 3.42Å; W267-W418 AromaticContact NE1-CH2 3.74Å; W267-W418 AromaticContact NE1-CZ3 3.99Å; W267-W418 PolarHBondContact O-N 3.43Å; E269-W418 PolarHBondContact O-NE1 2.81Å; Q396-W418 HydrophobicContact CG-CZ3 4.49Å; I397-W418 CarbonylContact O-C 3.49Å; I397-W418 WeakPolarHBondContact O-CA 3.45Å; I397-W418 VanDerWaalsContact O-CB 3.31Å; I397-W418 WeakPolarHBondContact O-CB 3.47Å; I412-W418 HydrophobicContact CD1-CB 4.08Å; I412-W418 HydrophobicContact CD1-CD2 3.74Å; I412-W418 HydrophobicContact CD1-CE3 3.33Å; I412-W418 HydrophobicContact CD1-CG 4.08Å; I412-W418 HydrophobicContact CD1-CZ3 3.99Å; I412-W418 HydrophobicContact CG1-CB 4.04Å; I412-W418 HydrophobicContact CG1-CD2 3.62Å; I412-W418 HydrophobicContact CG1-CE3 3.73Å; I412-W418 HydrophobicContact CG1-CG 3.77Å; I412-W418 HydrophobicContact CG1-CZ3 4.4Å; I412-W418 HydrophobicContact CG2-CE3 4.43Å; I412-W418 HydrophobicContact CG2-CH2 4.3Å; I412-W418 HydrophobicContact CG2-CZ2 4.44Å; I412-W418 HydrophobicContact CG2-CZ3 4.27Å; W418-E420 HydrophobicContact CZ3-CB 3.88Å
419L98.6Very high91.2Very high0 Ų050.5 Ų50.50%024%0.241CC..EExtended strand (participates in β ladder)trans-120.1144.8178.9-60.7169.9000109.7V264 A265 Y266 I286 I321 I397 F399V264-L419 HydrophobicContact CG1-CD2 3.96Å; A265-L419 VanDerWaalsContact O-CA 3.3Å; A265-L419 WeakPolarHBondContact O-CA 3.36Å; Y266-L419 HydrophobicContact CD2-CD2 3.8Å; Y266-L419 HydrophobicContact CG-CD2 4.36Å; I286-L419 HydrophobicContact CD1-CD1 3.78Å; I286-L419 HydrophobicContact CG2-CD1 4.11Å; I286-L419 HydrophobicContact CG2-CD2 4.48Å; I321-L419 HydrophobicContact CD1-CD1 3.79Å; I397-L419 HydrophobicContact CB-CB 4.33Å; I397-L419 PolarHBondContact N-O 2.75Å; I397-L419 PolarHBondContact O-N 3.11Å; F399-L419 HydrophobicContact CE2-CD1 3.81Å; F399-L419 HydrophobicContact CE2-CD2 4.35Å; F399-L419 HydrophobicContact CE2-CG 3.73Å; F399-L419 HydrophobicContact CZ-CD1 3.59Å; F399-L419 HydrophobicContact CZ-CG 4.07Å
420E97.8Very high91Very high42 Ų4249.7 Ų49.720%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-114.7121.7164.5-168.1167.8-120.800108V264 A265 T394 W418 I422V264-E420 CarbonylContact C-O 3.54Å; V264-E420 WeakPolarHBondContact CA-O 3.36Å; A265-E420 HydrophobicContact CB-CB 4.3Å; A265-E420 PolarHBondContact N-O 2.71Å; A265-E420 PolarHBondContact O-N 3.21Å; T394-E420 HydrophobicContact CG2-CG 3.48Å; T394-E420 VanDerWaalsContact CG2-CG 3.48Å; W418-E420 HydrophobicContact CZ3-CB 3.88Å; E420-I422 HydrophobicContact CG-CG1 4.18Å
421V97.6Very high91Very high1 Ų146.6 Ų46.61%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-111.1119.2178.4-173.90000107.6C262 V264 L323 T394 V395 I397 F423C262-V421 HydrophobicContact CB-CG1 4.12Å; V264-V421 HydrophobicContact CG1-CG2 4.42Å; V264-V421 HydrophobicContact CG2-CG1 4.33Å; V264-V421 HydrophobicContact CG2-CG2 4.34Å; L323-V421 HydrophobicContact CD1-CG1 4.27Å; L323-V421 HydrophobicContact CD1-CG2 3.97Å; T394-V421 CarbonylContact C-O 3.5Å; T394-V421 VanDerWaalsContact CA-O 3.29Å; T394-V421 WeakPolarHBondContact CA-O 3.36Å; V395-V421 HydrophobicContact CB-CB 4.31Å; V395-V421 PolarHBondContact N-O 2.81Å; V395-V421 PolarHBondContact O-N 3.27Å; I397-V421 HydrophobicContact CD1-CG2 4.29Å; V421-F423 HydrophobicContact CB-CZ 4.36Å; V421-F423 HydrophobicContact CG1-CD1 4.36Å; V421-F423 HydrophobicContact CG1-CE1 3.56Å; V421-F423 HydrophobicContact CG1-CZ 3.7Å
422I94.9Very high90.8Very high58 Ų5840.2 Ų40.230%0.29720%0.2SC..EExtended strand (participates in β ladder)trans-112121.2-174.5-56164.7000107.6C262 V263 T394 E420C262-I422 CarbonylContact C-O 3.44Å; C262-I422 WeakPolarHBondContact CA-O 3.48Å; C262-I422 VanDerWaalsContact CB-O 3.27Å; C262-I422 WeakPolarHBondContact CB-O 3.39Å; V263-I422 PolarHBondContact N-O 3.05Å; V263-I422 PolarHBondContact O-N 2.97Å; T394-I422 HydrophobicContact CG2-CG1 4.46Å; E420-I422 HydrophobicContact CG-CG1 4.18Å
423F91.8Very high90.5Very high11 Ų1141.9 Ų41.95%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-93.3143.4-179.9-54.8-64.9000111.3W261 C262 V330 F369 F393 V395 V421W261-F423 HydrophobicContact CE3-CD1 4.17Å; W261-F423 HydrophobicContact CE3-CE1 4.35Å; W261-F423 HydrophobicContact CZ3-CD1 4.02Å; W261-F423 AromaticContact CZ3-CE1 3.74Å; W261-F423 HydrophobicContact CZ3-CE1 3.74Å; C262-F423 HydrophobicContact CB-CD1 3.61Å; C262-F423 HydrophobicContact CB-CE1 3.97Å; V330-F423 HydrophobicContact CB-CE1 4.14Å; V330-F423 HydrophobicContact CB-CZ 4.16Å; V330-F423 HydrophobicContact CG1-CE1 4Å; V330-F423 HydrophobicContact CG1-CZ 4.19Å; V330-F423 HydrophobicContact CG2-CD1 4.14Å; V330-F423 HydrophobicContact CG2-CE1 3.71Å; V330-F423 HydrophobicContact CG2-CZ 4.11Å; F369-F423 HydrophobicContact CB-CD2 4.27Å; F369-F423 HydrophobicContact CB-CE2 3.58Å; F369-F423 HydrophobicContact CB-CZ 3.87Å; F369-F423 AromaticContact CD1-CD2 3.81Å; F369-F423 HydrophobicContact CD1-CD2 3.81Å; F369-F423 AromaticContact CD1-CE2 4Å; F369-F423 HydrophobicContact CD1-CE2 4Å; F369-F423 HydrophobicContact CD1-CG 4.21Å; F369-F423 AromaticContact CD2-CD2 3.48Å; F369-F423 HydrophobicContact CD2-CD2 3.48Å; F369-F423 VanDerWaalsContact CD2-CD2 3.48Å; F369-F423 AromaticContact CD2-CE2 3.42Å; F369-F423 HydrophobicContact CD2-CE2 3.42Å; F369-F423 VanDerWaalsContact CD2-CE2 3.42Å; F369-F423 HydrophobicContact CD2-CZ 4.49Å; F369-F423 HydrophobicContact CE1-CB 4.38Å; F369-F423 AromaticContact CE1-CD2 3.92Å; F369-F423 HydrophobicContact CE1-CD2 3.92Å; F369-F423 HydrophobicContact CE1-CG 4.19Å; F369-F423 AromaticContact CE2-CD2 3.61Å; F369-F423 HydrophobicContact CE2-CD2 3.61Å; F369-F423 HydrophobicContact CE2-CE2 4.04Å; F369-F423 AromaticContact CG-CD2 3.58Å; F369-F423 HydrophobicContact CG-CD2 3.58Å; F369-F423 AromaticContact CG-CE2 3.38Å; F369-F423 HydrophobicContact CG-CE2 3.38Å; F369-F423 HydrophobicContact CG-CG 4.39Å; F369-F423 HydrophobicContact CG-CZ 4.08Å; F369-F423 HydrophobicContact CZ-CB 4.42Å; F369-F423 AromaticContact CZ-CD2 3.81Å; F369-F423 HydrophobicContact CZ-CD2 3.81Å; F369-F423 HydrophobicContact CZ-CG 4.37Å; F393-F423 HydrophobicContact CD1-CB 4.35Å; F393-F423 VanDerWaalsContact O-CD2 3.25Å; F393-F423 WeakPolarHBondContact O-CD2 3.33Å; F393-F423 PolarHBondContact O-N 3.04Å; V395-F423 HydrophobicContact CB-CE2 4.06Å; V395-F423 HydrophobicContact CB-CZ 4.23Å; V395-F423 HydrophobicContact CG2-CE2 3.52Å; V395-F423 HydrophobicContact CG2-CZ 3.93Å; V421-F423 HydrophobicContact CB-CZ 4.36Å; V421-F423 HydrophobicContact CG1-CD1 4.36Å; V421-F423 HydrophobicContact CG1-CE1 3.56Å; V421-F423 HydrophobicContact CG1-CZ 3.7Å
424N85.3Confident90Very high50 Ų5042.3 Ų42.327%0.26721%0.205SC..  trans-76.5128.3175.4-73.9-7.4000109.9H260 W261 R426H260-N424 PolarHBondContact CD2-ND2 2.78Å; H260-N424 PolarHBondContact NE2-ND2 3.45Å; H260-N424 PolarHBondContact O-ND2 2.91Å; W261-N424 PolarHBondContact O-N 2.79Å; N424-R426 PolarHBondContact O-N 3.41Å
425S63.5Low89.5Confident76 Ų7642.3 Ų42.353%0.53120%0.197SC..  trans-8220.9-177.165.80000114.2
426R51.7Low88.7Confident256 Ų25646.1 Ų46.197%0.96622%0.215SC*.  trans-73.80-169.1-76.2-168.8179.8-167.10.9113.1N424N424-R426 PolarHBondContact O-N 3.41Å

Retrieved 426 of 426 residues in 133.5 ms (Link to these results)