A0A087WTB5_HUMAN Loading...

Interleukin-6 receptor subunit alpha

Part of the receptor for interleukin 6. Binds to IL6 with low affinity, but does not transduce a signal. Signal activation necessitate an association with IL6ST. Activation leads to the regulation of the immune response, acute-phase reactions and hematopoiesis. The interaction with membrane-bound IL6R and IL6ST stimulates 'classic signaling', the restricted expression of the IL6R limits classic IL6 signaling to only a few tissues such as the liver and some cells of the immune system. Whereas the binding of IL6 and soluble IL6R to IL6ST stimulates 'trans-signaling'. Alternatively, 'cluster signaling' occurs when membrane-bound IL6:IL6R complexes on transmitter cells activate IL6ST receptors on neighboring receiver cells. Signaling via the membrane-bound IL6R is mostly regenerative and anti-inflammatory. Drives naive CD4(+) T cells to the Th17 lineage, through 'cluster signaling' by dendritic cells. Soluble form of IL6 receptor (sIL6R) that acts as an agonist of IL6 activity. The IL6:sIL6R complex (hyper-IL6) binds to IL6ST/gp130 on cell surfaces and induces signaling also on cells that do not express membrane-bound IL6R in a process called IL6 'trans-signaling'. sIL6R is causative for the pro-inflammatory properties of IL6 and an important player in the development of chronic inflammatory diseases. In complex with IL6, is required for induction of VEGF production. Plays a protective role during liver injury, being required for maintenance of tissue regeneration. 'Trans-signaling' in central nervous system regulates energy and glucose homeostasis.

AlphaFold DB , UniProt , Accession A0A087WTB5, Species HUMAN (Homo sapiens, Human), Gene IL6R, Length 352 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
1M36.5Very low39.5Very low235 Ų235135.5 Ų135.5100%1.15887%0.869SS**  090.30-77.2-108.2-79.700107.9
2L33.5Very low39.3Very low182 Ų182138.2 Ų138.295%0.95387%0.869SS**  trans175.169.2161.8-95.9161.2000105.2
3A39.2Very low39.1Very low98 Ų98140.5 Ų140.581%0.8187%0.87SS**  trans-132.977.6175.400000106
4V37.2Very low39Very low153 Ų153138.5 Ų138.593%0.92787%0.874SS**  trans-150121.5171.5-175.50000108.6
5G37.8Very low38.7Very low72 Ų72134.3 Ų134.374%0.74286%0.857SS**  trans111.565.2149.400000116.8
6C44.9Very low38.5Very low145 Ų145134.1 Ų134.198%0.9886%0.857SS**SBendtrans-132.131.7156.4-133.50000112.9
7A43.5Very low38.3Very low86 Ų86131 Ų13171%0.71186%0.856SS**  trans-139.2116.9170.900000109.6
8L41.9Very low38Very low168 Ų168128.5 Ų128.588%0.8885%0.848SS**  trans125.3102.7157.3-72.4153.8000113.5
9L39.5Very low38Very low170 Ų170126.7 Ų126.789%0.8985%0.845SS**  -173.477.7124.5-97.8150000109
10A44.3Very low38.2Very low106 Ų106126.2 Ų126.288%0.87683%0.833SS**  trans-9591.2159.200000107.4
11A36.4Very low38.3Very low76 Ų76123.3 Ų123.363%0.62882%0.819SS**  trans-177.2138.2153.400000111.2
12L36.6Very low38.9Very low167 Ų167114 Ų11487%0.87478%0.776SS**  trans84.398.2163.5-58.3156.3000116.1
13L36.5Very low40.2Very low168 Ų168114.5 Ų114.588%0.8877%0.765SS**  -165.987.5118.1-92.9172.2000108.9
14A38.8Very low41.3Very low113 Ų113120.6 Ų120.693%0.93477%0.767SS**  trans-87.397.2156.400000107.1
15A33.4Very low42.9Very low75 Ų75113.8 Ų113.862%0.6273%0.727SS**  trans-132.9142.4166.200000108.8G17A15-G17 PolarHBondContact O-N 3.46Å
16P36.4Very low44.3Very low132 Ų132113.2 Ų113.286%0.85771%0.71SS**  trans-78.4124.3-164.719.5-11.3000112.1A18P16-A18 PolarHBondContact O-N 3.02Å
17G35.3Very low45.1Very low81 Ų81110.4 Ų110.484%0.83570%0.697SS**  trans51.649.713500000118.7A15A15-G17 PolarHBondContact O-N 3.46Å
18A31.5Very low46.2Very low86 Ų86108.7 Ų108.771%0.71167%0.674SS**  trans-87.6102.6147.900000106.4P16 L20P16-A18 PolarHBondContact O-N 3.02Å; A18-L20 PolarHBondContact O-N 2.78Å
19A38.3Very low47.5Very low95 Ų95109.5 Ų109.579%0.78567%0.674SS**  trans-51.8109.9172.400000108.1A21A19-A21 PolarHBondContact O-N 2.97Å
20L42.3Very low49Very low115 Ų115104 Ų10460%0.60265%0.647SS**  trans-68.168.1172.6-76.1161.6000107.7A18 P22A18-L20 PolarHBondContact O-N 2.78Å; L20-P22 VanDerWaalsContact O-CD 3.28Å; L20-P22 WeakPolarHBondContact O-CD 3.17Å
21A40.6Very low50.5Low67 Ų67102.3 Ų102.355%0.55463%0.632SS**PPolyproline II helixtrans-71.1121.1178.400000108A19 R23A19-A21 PolarHBondContact O-N 2.97Å; A21-R23 PolarHBondContact O-N 2.79Å
22P49.5Very low52.3Low38 Ų38110.8 Ų110.825%0.24765%0.648CS.*PPolyproline II helixtrans-60.1138.416621.4-25.7000108.7L20 L149L20-P22 VanDerWaalsContact O-CD 3.28Å; L20-P22 WeakPolarHBondContact O-CD 3.17Å; P22-L149 HydrophobicContact CB-CB 4.09Å; P22-L149 HydrophobicContact CB-CD1 3.89Å; P22-L149 HydrophobicContact CG-CD1 4.31Å
23R59.4Low54.1Low193 Ų193106 Ų10673%0.72864%0.639SS**PPolyproline II helixtrans-58.1143-176.8-81.1-178.7149.4177.8-4.1110.6A21 L149A21-R23 PolarHBondContact O-N 2.79Å; R23-L149 WeakPolarHBondContact O-CD1 3.36Å
24R64Low56.4Low226 Ų226100 Ų10085%0.85361%0.609SS**  trans-19.7128.8-176-107.9173.5-179.3171.1-0.3115.1
25C70.4Confident58.8Low11 Ų1198 Ų987%0.07458%0.582CS.*  trans-45132.4154.6-920000109.2A27 C193 F202C25-A27 PolarHBondContact O-N 2.92Å; C25-C193 WeakPolarHBondContact CA-SG 3.35Å; C25-C193 HydrophobicContact CB-CB 4.17Å; C25-C193 WeakPolarHBondContact CB-SG 3.46Å; C25-C193 WeakPolarHBondContact SG-CB 3.34Å; C25-C193 CovalentContact SG-SG 1.99Å; C25-C193 PolarHBondContact SG-SG 2.91Å; C25-F202 HydrophobicContact CB-CE1 3.94Å; C25-F202 HydrophobicContact CB-CE2 4.37Å; C25-F202 HydrophobicContact CB-CZ 3.59Å; C25-F202 WeakPolarHBondContact SG-CE1 3.29Å; C25-F202 WeakPolarHBondContact SG-CZ 3.45Å
26P67.3Low61.5Low59 Ų5997.1 Ų97.138%0.38357%0.57SS.*  trans-54.8120.1167.619.5-26.8000107.7Q28 V147P26-Q28 PolarHBondContact O-N 2.81Å; P26-V147 HydrophobicContact CG-CG1 4.12Å; P26-V147 HydrophobicContact CG-CG2 3.76Å
27A61Low64.1Low86 Ų8691.4 Ų91.471%0.71153%0.532SS*.  trans-62.2127.3174.800000107.1C25 E29C25-A27 PolarHBondContact O-N 2.92Å; A27-E29 PolarHBondContact O-N 2.82Å
28Q67.4Low66.7Low50 Ų5090.8 Ų90.823%0.23451%0.51CS..  trans-67.8104.2173.8-169.475.8-39.300107.1P26 V30 T143 S196P26-Q28 PolarHBondContact O-N 2.81Å; Q28-V30 PolarHBondContact O-N 3.35Å; Q28-T143 PolarHBondContact NE2-O 2.95Å; Q28-S196 WeakPolarHBondContact CB-O 3.31Å
29E67.4Low69.6Low186 Ų18689 Ų8987%0.86949%0.491SS*.  trans-67.2106.4178.3-73-168.6167.500109.2A27A27-E29 PolarHBondContact O-N 2.82Å
30V72.9Confident72.1Confident55 Ų5586.3 Ų86.333%0.33347%0.472SS..PPolyproline II helixtrans-73128.5171.1177.80000107.7Q28 R32 V34 T36Q28-V30 PolarHBondContact O-N 3.35Å; V30-R32 PolarHBondContact O-N 3.18Å; V30-V34 HydrophobicContact CG1-CB 3.61Å; V30-V34 HydrophobicContact CG1-CG1 3.9Å; V30-V34 HydrophobicContact CG1-CG2 4.44Å; V30-T36 HydrophobicContact CG1-CG2 4.1Å; V30-T36 HydrophobicContact CG2-CG2 4.13Å
31A75.9Confident74.5Confident69 Ų6984.3 Ų84.357%0.5746%0.463SS*.PPolyproline II helixtrans-55142179.700000110.9G33 V34A31-G33 PolarHBondContact O-N 3.15Å; A31-V34 HydrophobicContact CB-CG2 3.96Å; A31-V34 WeakPolarHBondContact O-CB 3.41Å; A31-V34 WeakPolarHBondContact O-CG2 3.27Å; A31-V34 PolarHBondContact O-N 3.37Å; A31-V34 VanDerWaalsContact O-N 3.14Å
32R72.2Confident77.1Confident255 Ų25584.9 Ų84.996%0.96246%0.462SS*.THydrogen-bonded Turntrans-55.6127-179.1-74.8-170.3-87.9-158.2-5.8110.5V30V30-R32 PolarHBondContact O-N 3.18Å
33G74.4Confident79.1Confident65 Ų6583.7 Ų83.767%0.6745%0.454SS*.THydrogen-bonded Turntrans87.98.2178.900000115.7A31A31-G33 PolarHBondContact O-N 3.15Å
34V86.1Confident80.7Confident43 Ų4377.6 Ų77.626%0.26144%0.438SS..EExtended strand (participates in β ladder)trans-88.9129.8168.7179.70000109.8V30 A31 H107 L109V30-V34 HydrophobicContact CG1-CB 3.61Å; V30-V34 HydrophobicContact CG1-CG1 3.9Å; V30-V34 HydrophobicContact CG1-CG2 4.44Å; A31-V34 HydrophobicContact CB-CG2 3.96Å; A31-V34 WeakPolarHBondContact O-CB 3.41Å; A31-V34 WeakPolarHBondContact O-CG2 3.27Å; A31-V34 PolarHBondContact O-N 3.37Å; A31-V34 VanDerWaalsContact O-N 3.14Å; V34-H107 WeakPolarHBondContact CA-O 3.34Å; V34-H107 HydrophobicContact CB-CB 4.36Å; V34-H107 HydrophobicContact CG1-CB 4.44Å; V34-H107 HydrophobicContact CG2-CB 3.9Å; V34-L109 HydrophobicContact CG1-CB 3.71Å
35L88.8Confident81.9Confident71 Ų7166.8 Ų66.837%0.37240%0.398SS..EExtended strand (participates in β ladder)trans-92.1124.6173.5-175.664.2000109V43 L45 H107 L108 L109L35-V43 HydrophobicContact CD2-CG1 3.52Å; L35-V43 HydrophobicContact CG-CG1 4.48Å; L35-L45 HydrophobicContact CD2-CD2 4.14Å; L35-H107 PolarHBondContact N-O 3.16Å; L35-L108 HydrophobicContact CB-CD1 4.36Å; L35-L108 HydrophobicContact CD2-CD1 4.24Å; L35-L108 HydrophobicContact CG-CD1 4.26Å; L35-L108 WeakPolarHBondContact O-CA 3.29Å; L35-L109 PolarHBondContact O-N 2.97Å
36T89.8Confident82.9Confident57 Ų5768.4 Ų68.435%0.3541%0.407SS..EExtended strand (participates in β ladder)trans-101147176.450.80000111.7V30 L109V30-T36 HydrophobicContact CG1-CG2 4.1Å; V30-T36 HydrophobicContact CG2-CG2 4.13Å; T36-L109 CarbonylContact C-O 3.52Å; T36-L109 VanDerWaalsContact CA-O 3.23Å; T36-L109 WeakPolarHBondContact CA-O 3.43Å; T36-L109 HydrophobicContact CG2-CB 4.3Å; T36-L109 HydrophobicContact CG2-CD2 4.27Å
37S90.4Very high84Confident11 Ų1165.6 Ų65.68%0.07739%0.389CS..EExtended strand (participates in β ladder)trans-153158.8177.5570000111.8V43 L109 V110 D111S37-V43 VanDerWaalsContact CB-CG2 3.48Å; S37-L109 PolarHBondContact N-O 2.94Å; S37-V110 WeakPolarHBondContact O-CA 3.49Å; S37-D111 PolarHBondContact O-N 3.25Å
38L91.8Very high85.3Confident68 Ų6865.8 Ų65.836%0.35638%0.383SS..  trans-90.5151.3174.9-58173.5000110.7G40 D41 P113 V198L38-G40 PolarHBondContact O-N 3.48Å; L38-D41 WeakPolarHBondContact CB-OD2 3.23Å; L38-D41 PolarHBondContact N-OD2 3.26Å; L38-D41 WeakPolarHBondContact O-CB 3.46Å; L38-D41 PolarHBondContact O-N 3.15Å; L38-P113 HydrophobicContact CD2-CG 3.65Å; L38-V198 HydrophobicContact CD2-CB 4.03Å; L38-V198 HydrophobicContact CD2-CG1 4.3Å; L38-V198 HydrophobicContact CD2-CG2 3.95Å
39P91.1Very high86.1Confident48 Ų4865.9 Ų65.931%0.31240%0.398SS..THydrogen-bonded Turntrans-57.6134.4170.6-23.632.9000111.7V86 L88 V110 D111 V112P39-V86 CarbonylContact C-O 3.55Å; P39-V86 VanDerWaalsContact CA-O 3.22Å; P39-V86 WeakPolarHBondContact CA-O 3.15Å; P39-L88 HydrophobicContact CG-CD2 4.28Å; P39-L88 HydrophobicContact CG-CG 4.3Å; P39-V110 HydrophobicContact CG-CG1 4.06Å; P39-D111 WeakPolarHBondContact CD-O 3.34Å; P39-V112 HydrophobicContact CG-CG2 3.78Å
40G91.5Very high86.8Confident39 Ų3957.2 Ų57.240%0.40236%0.357SS..THydrogen-bonded Turntrans93.6-15.6-177.600000114.7L38 V86L38-G40 PolarHBondContact O-N 3.48Å; G40-V86 PolarHBondContact N-O 3.16Å
41D92.4Very high87.2Confident74 Ų7461.6 Ų61.640%0.39637%0.374SS..  trans-68.5161.8176.3-72.8-17.6000111.9L38 S85 V86L38-D41 WeakPolarHBondContact CB-OD2 3.23Å; L38-D41 PolarHBondContact N-OD2 3.26Å; L38-D41 WeakPolarHBondContact O-CB 3.46Å; L38-D41 PolarHBondContact O-N 3.15Å; D41-S85 WeakPolarHBondContact O-CA 3.49Å; D41-S85 PolarHBondContact O-N 2.84Å; D41-V86 WeakPolarHBondContact O-CG2 3.42Å; D41-V86 PolarHBondContact O-N 2.85Å
42S94.3Very high87.2Confident79 Ų7962.4 Ų62.455%0.55237%0.373SS*.  trans-104.1120.8168.8-64.40000109.9L83S42-L83 CarbonylContact C-O 3.55Å; S42-L83 VanDerWaalsContact CA-O 3.26Å; S42-L83 WeakPolarHBondContact CA-O 3.48Å
43V93Very high87.2Confident12 Ų1258.3 Ų58.37%0.07337%0.365CS..EExtended strand (participates in β ladder)trans-112.3129.5-174.1-1780000109.9L35 S37 L45 L83 V86 L108L35-V43 HydrophobicContact CD2-CG1 3.52Å; L35-V43 HydrophobicContact CG-CG1 4.48Å; S37-V43 VanDerWaalsContact CB-CG2 3.48Å; V43-L45 HydrophobicContact CG1-CD2 4.11Å; V43-L83 PolarHBondContact N-O 2.58Å; V43-L83 PolarHBondContact O-N 2.96Å; V43-V86 HydrophobicContact CB-CG2 4.13Å; V43-V86 HydrophobicContact CG2-CG2 3.85Å; V43-L108 HydrophobicContact CG1-CD1 3.95Å
44T91.9Very high87Confident65 Ų6557.1 Ų57.140%0.39934%0.344SS..EExtended strand (participates in β ladder)trans-102.7103175.4-56.70000110.3R80 L81 L82T44-R80 HydrophobicContact CG2-CB 3.95Å; T44-R80 HydrophobicContact CG2-CG 4.19Å; T44-L81 CarbonylContact C-O 3.55Å; T44-L81 WeakPolarHBondContact CA-O 3.48Å; T44-L82 WeakPolarHBondContact OG1-CD1 3.18Å
45L90.7Very high86.5Confident0 Ų060.7 Ų60.70%036%0.361CS..EExtended strand (participates in β ladder)trans-73.7134.5173.2-55.2178.1000109.4L35 V43 W60 R80 L81 L83 Y94 V106 L108L35-L45 HydrophobicContact CD2-CD2 4.14Å; V43-L45 HydrophobicContact CG1-CD2 4.11Å; L45-W60 HydrophobicContact CB-CH2 3.92Å; L45-W60 HydrophobicContact CB-CZ2 4.48Å; L45-W60 HydrophobicContact CB-CZ3 4.12Å; L45-W60 HydrophobicContact CD1-CZ3 4.46Å; L45-R80 CarbonylContact O-C 3.53Å; L45-R80 VanDerWaalsContact O-CA 3.27Å; L45-R80 WeakPolarHBondContact O-CA 3.46Å; L45-L81 HydrophobicContact CB-CB 4.33Å; L45-L81 HydrophobicContact CD1-CD2 4.23Å; L45-L81 PolarHBondContact N-O 3.01Å; L45-L81 PolarHBondContact O-N 2.87Å; L45-L83 HydrophobicContact CD1-CD1 3.87Å; L45-L83 HydrophobicContact CD1-CG 4.4Å; L45-L83 HydrophobicContact CG-CD1 4.32Å; L45-Y94 HydrophobicContact CD1-CD1 3.32Å; L45-Y94 HydrophobicContact CD1-CD2 3.89Å; L45-Y94 HydrophobicContact CD1-CE1 3.79Å; L45-Y94 HydrophobicContact CD1-CE2 4.33Å; L45-Y94 HydrophobicContact CD1-CG 3.36Å; L45-V106 HydrophobicContact CD2-CG1 3.87Å; L45-L108 HydrophobicContact CD2-CB 4.47Å; L45-L108 HydrophobicContact CD2-CD2 4.48Å
46T90.8Very high86Confident44 Ų4458.7 Ų58.727%0.2736%0.355SS..EExtended strand (participates in β ladder)trans-121122179.9-56.50000109.2P48 R79 R80 V106T46-P48 WeakPolarHBondContact O-CD 3.43Å; T46-R79 HydrophobicContact CG2-CG 4.27Å; T46-R80 PolarHBondContact OG1-NH1 3.15Å; T46-R80 VanDerWaalsContact OG1-NH1 3.15Å; T46-V106 WeakPolarHBondContact O-CG2 3.48Å
47C89.6Confident85.8Confident0 Ų059.7 Ų59.70%036%0.361CS..  trans-70123.7-179.1-1750000110.5G49 V50 W60 R79 C96C47-G49 PolarHBondContact O-N 3.15Å; C47-V50 HydrophobicContact CB-CB 4.42Å; C47-V50 HydrophobicContact CB-CG2 4.25Å; C47-W60 HydrophobicContact CB-CH2 3.89Å; C47-W60 HydrophobicContact CB-CZ2 3.75Å; C47-R79 HydrophobicContact CB-CB 4.33Å; C47-R79 PolarHBondContact N-O 3.07Å; C47-C96 HydrophobicContact CB-CB 3.73Å; C47-C96 WeakPolarHBondContact CB-SG 3.21Å; C47-C96 WeakPolarHBondContact SG-CB 3.4Å; C47-C96 CovalentContact SG-SG 2.04Å; C47-C96 PolarHBondContact SG-SG 3.07Å
48P88.6Confident85.7Confident91 Ų9159.1 Ų59.159%0.59136%0.357SS*.THydrogen-bonded Turntrans-64.3-38.8-175.7-24.734.4000114.4T46 V50T46-P48 WeakPolarHBondContact O-CD 3.43Å; P48-V50 PolarHBondContact O-N 3.12Å
49G84.2Confident85.6Confident52 Ų5260.1 Ų60.154%0.53636%0.36SS..THydrogen-bonded Turntrans-91.817.4-174.400000115.8C47 A103C47-G49 PolarHBondContact O-N 3.15Å; G49-A103 WeakPolarHBondContact CA-O 3.24Å; G49-A103 PolarHBondContact N-O 2.96Å
50V83.3Confident85.5Confident4 Ų457.8 Ų57.82%0.02435%0.345CS..SBendtrans-124.6128.6177.5-174.90000109.9C47 P48 D54 V58 R79 R98 A103C47-V50 HydrophobicContact CB-CB 4.42Å; C47-V50 HydrophobicContact CB-CG2 4.25Å; P48-V50 PolarHBondContact O-N 3.12Å; V50-D54 HydrophobicContact CG1-CB 4.13Å; V50-V58 HydrophobicContact CG1-CG2 4.31Å; V50-V58 HydrophobicContact CG2-CG2 4.14Å; V50-R79 HydrophobicContact CB-CB 3.8Å; V50-R79 HydrophobicContact CG1-CB 3.82Å; V50-R79 WeakPolarHBondContact O-CD 3.25Å; V50-R79 PolarHBondContact O-NH1 2.76Å; V50-R98 HydrophobicContact CG2-CB 4.4Å; V50-A103 HydrophobicContact CG2-CB 4.1Å
51E81.5Confident85.4Confident147 Ų14756.7 Ų56.769%0.68733%0.33SS*.  trans-70.8152.2180-72.2-170.8169.200112.2E53 D54E51-E53 VanDerWaalsContact C-N 3.31Å; E51-E53 PolarHBondContact O-N 2.82Å; E51-D54 PolarHBondContact O-N 2.89Å
52P74Confident85.1Confident85 Ų8553.2 Ų53.255%0.55231%0.312SS*.THydrogen-bonded Turntrans-64.3-30-175.118.6-26.6000115D54P52-D54 VanDerWaalsContact C-N 3.31Å
53E73.4Confident84.4Confident170 Ų17056.4 Ų56.479%0.79431%0.311SS*.THydrogen-bonded Turntrans-85.4-6.1-176.3-59-73.414100112.6E51 N55E51-E53 VanDerWaalsContact C-N 3.31Å; E51-E53 PolarHBondContact O-N 2.82Å; E53-N55 PolarHBondContact O-N 2.82Å
54D69.8Low83.5Confident40 Ų4059 Ų5921%0.21432%0.322CS..  trans-84.2107.5-175.2-169.810.2000111V50 E51 P52 A56 R98V50-D54 HydrophobicContact CG1-CB 4.13Å; E51-D54 PolarHBondContact O-N 2.89Å; P52-D54 VanDerWaalsContact C-N 3.31Å; D54-A56 PolarHBondContact O-N 3.31Å; D54-A56 WeakPolarHBondContact OD1-CB 3.14Å; D54-A56 PolarHBondContact OD1-N 3.25Å; D54-A56 VanDerWaalsContact OD1-N 3.1Å; D54-A56 WeakPolarHBondContact OD2-CB 3.19Å; D54-R98 IonicContact OD1-NH2 3.39Å; D54-R98 IonicContact OD2-CZ 3.64Å; D54-R98 IonicContact OD2-NE 3.58Å; D54-R98 PolarHBondContact OD2-NE 2.88Å; D54-R98 IonicContact OD2-NH2 3.25Å; D54-R98 PolarHBondContact OD2-NH2 2.98Å
55N75.9Confident82.2Confident118 Ų11861.2 Ų61.263%0.63134%0.337SS*.  trans-76.19.7175.2-73.3-35.3000113.4E53 M77E53-N55 PolarHBondContact O-N 2.82Å; N55-M77 HydrophobicContact CB-CE 3.79Å
56A78.8Confident81Confident28 Ų2864.2 Ų64.223%0.23136%0.362CS..  trans-58.1148.6175.500000112.6D54 V58 G78D54-A56 PolarHBondContact O-N 3.31Å; D54-A56 WeakPolarHBondContact OD1-CB 3.14Å; D54-A56 PolarHBondContact OD1-N 3.25Å; D54-A56 VanDerWaalsContact OD1-N 3.1Å; D54-A56 WeakPolarHBondContact OD2-CB 3.19Å; A56-V58 PolarHBondContact O-N 3.4Å; A56-G78 PolarHBondContact O-N 2.83Å; A56-G78 VanDerWaalsContact O-N 3.09Å
57T85.1Confident79.2Confident78 Ų7867.3 Ų67.348%0.47939%0.392SS..EExtended strand (participates in β ladder)trans-72.5124.9172.7-55.30000109.8A75T57-A75 HydrophobicContact CG2-CB 4.49Å
58V89.1Confident77.7Confident0 Ų071.1 Ų71.10%043%0.431CS..EExtended strand (participates in β ladder)trans-108.5128.9175.7-179.50000109.1V50 A56 G76 G78 C96V50-V58 HydrophobicContact CG1-CG2 4.31Å; V50-V58 HydrophobicContact CG2-CG2 4.14Å; A56-V58 PolarHBondContact O-N 3.4Å; V58-G76 PolarHBondContact N-O 3.19Å; V58-G76 PolarHBondContact O-N 2.92Å; V58-G76 VanDerWaalsContact O-N 3.14Å; V58-G78 WeakPolarHBondContact CG2-O 3.42Å; V58-C96 HydrophobicContact CG1-CB 3.82Å
59H89.2Confident76.5Confident88 Ų8869 Ų6941%0.40742%0.418SS..EExtended strand (participates in β ladder)trans-95.7130.7174.8-64.9-73.3000110.3W74 C96 Y97H59-W74 WeakPolarHBondContact CA-O 3.04Å; H59-C96 CarbonylContact O-C 3.57Å; H59-C96 WeakPolarHBondContact O-CA 3.43Å; H59-Y97 PolarHBondContact N-O 2.83Å; H59-Y97 PolarHBondContact O-N 3.43Å
60W89.1Confident75.7Confident0 Ų074.7 Ų74.70%043%0.431CS..EExtended strand (participates in β ladder)trans-110.5136.1178.1-69.287.8000110.4L45 C47 R73 W74 L81 S95 C96 V106L45-W60 HydrophobicContact CB-CH2 3.92Å; L45-W60 HydrophobicContact CB-CZ2 4.48Å; L45-W60 HydrophobicContact CB-CZ3 4.12Å; L45-W60 HydrophobicContact CD1-CZ3 4.46Å; C47-W60 HydrophobicContact CB-CH2 3.89Å; C47-W60 HydrophobicContact CB-CZ2 3.75Å; W60-R73 WeakPolarHBondContact O-CA 3.46Å; W60-W74 HydrophobicContact CB-CB 4.41Å; W60-W74 HydrophobicContact CB-CE3 4.33Å; W60-W74 PolarHBondContact N-O 3.3Å; W60-W74 PolarHBondContact O-N 2.72Å; W60-L81 HydrophobicContact CB-CD2 3.85Å; W60-L81 HydrophobicContact CD2-CB 4.13Å; W60-L81 HydrophobicContact CD2-CD2 4.04Å; W60-L81 HydrophobicContact CG-CB 4.24Å; W60-L81 HydrophobicContact CG-CD2 3.75Å; W60-L81 HydrophobicContact CG-CG 4.48Å; W60-L81 HydrophobicContact CZ2-CB 4.24Å; W60-S95 WeakPolarHBondContact CA-O 3.38Å; W60-C96 HydrophobicContact CD2-CB 3.96Å; W60-C96 HydrophobicContact CE3-CB 3.84Å; W60-C96 HydrophobicContact CH2-CB 3.94Å; W60-C96 HydrophobicContact CZ2-CB 4.03Å; W60-C96 HydrophobicContact CZ3-CB 3.83Å; W60-V106 HydrophobicContact CH2-CG2 4.29Å; W60-V106 HydrophobicContact CZ3-CG2 4.25Å
61V89.2Confident75.2Confident16 Ų1678 Ų7810%0.09745%0.452CS..EExtended strand (participates in β ladder)trans-127.5120.6177.2-175.30000108.7P71 S72 R73 S95 Y97V61-P71 HydrophobicContact CG1-CB 4.01Å; V61-S72 WeakPolarHBondContact CA-O 3.38Å; V61-R73 HydrophobicContact CG2-CG 4.44Å; V61-S95 PolarHBondContact N-O 2.89Å; V61-S95 PolarHBondContact O-N 2.82Å; V61-Y97 HydrophobicContact CB-CE2 4.11Å; V61-Y97 HydrophobicContact CG2-CD2 3.98Å; V61-Y97 HydrophobicContact CG2-CE2 3.73Å
62L86.2Confident75.1Confident1 Ų173 Ų731%0.00543%0.434CS..EExtended strand (participates in β ladder)trans-90.2124.8172.7171.961000109.7K64 S72 W74 Y94L62-K64 HydrophobicContact CD2-CD 4.49Å; L62-K64 HydrophobicContact CD2-CG 3.91Å; L62-K64 HydrophobicContact CG-CG 3.95Å; L62-S72 PolarHBondContact N-O 2.73Å; L62-W74 HydrophobicContact CB-CH2 3.7Å; L62-W74 HydrophobicContact CB-CZ3 3.47Å; L62-W74 VanDerWaalsContact CB-CZ3 3.47Å; L62-W74 HydrophobicContact CD2-CH2 3.91Å; L62-W74 HydrophobicContact CG-CH2 4.48Å; L62-Y94 HydrophobicContact CB-CD1 4.19Å; L62-Y94 HydrophobicContact CB-CE1 3.99Å; L62-Y94 HydrophobicContact CD1-CD1 4.19Å; L62-Y94 HydrophobicContact CD1-CD2 3.85Å; L62-Y94 HydrophobicContact CD1-CE1 3.87Å; L62-Y94 HydrophobicContact CD1-CE2 3.46Å; L62-Y94 VanDerWaalsContact CD1-CE2 3.46Å; L62-Y94 HydrophobicContact CD1-CG 4.19Å; L62-Y94 VanDerWaalsContact CD1-CZ 3.49Å; L62-Y94 HydrophobicContact CD2-CE1 4.16Å; L62-Y94 HydrophobicContact CG-CE1 4.22Å
63R80.1Confident75.6Confident146 Ų14678.4 Ų78.455%0.55144%0.443SS*.EExtended strand (participates in β ladder)trans-104.7110.6164.7-66-177.8-177.8148.70.4108.3N93R63-N93 PolarHBondContact N-O 2.85Å; R63-N93 PolarHBondContact O-N 3.36Å
64K72.8Confident76.1Confident67 Ų6774.6 Ų74.629%0.29142%0.422SS..  trans-77.6150.1177.7-60.9-176.9173.8-171.70109.9L62 A66 S69L62-K64 HydrophobicContact CD2-CD 4.49Å; L62-K64 HydrophobicContact CD2-CG 3.91Å; L62-K64 HydrophobicContact CG-CG 3.95Å; K64-A66 PolarHBondContact O-N 3.15Å; K64-S69 WeakPolarHBondContact CB-OG 3.32Å
65P65.9Low76.5Confident110 Ų11076 Ų7671%0.71444%0.439SS*.SBendtrans-64.1-20.7176.9-21.832.4000114.3S91P65-S91 VanDerWaalsContact CD-O 3.23Å; P65-S91 WeakPolarHBondContact CD-O 3.17Å
66A65.4Low76.6Confident64 Ų6471.4 Ų71.453%0.52942%0.419SS..SBendtrans-72.3128.3-177.600000112.3K64 G68 S69K64-A66 PolarHBondContact O-N 3.15Å; A66-G68 PolarHBondContact O-N 2.83Å; A66-S69 WeakPolarHBondContact O-CB 3.44Å; A66-S69 PolarHBondContact O-N 2.92Å; A66-S69 PolarHBondContact O-OG 3.05Å
67A52Low76.5Confident109 Ų10977 Ų7790%0.90144%0.442SS*.THydrogen-bonded Turntrans-60.1124.4176.300000110.8
68G58.2Low76.2Confident80 Ų8073.9 Ų73.983%0.82543%0.426SS*.THydrogen-bonded Turntrans89.48.3179.800000116A66A66-G68 PolarHBondContact O-N 2.83Å
69S62.9Low76.1Confident45 Ų4576.8 Ų76.832%0.31544%0.437SS..PPolyproline II helixtrans-71.6135.6178.157.10000113.4K64 A66K64-S69 WeakPolarHBondContact CB-OG 3.32Å; A66-S69 WeakPolarHBondContact O-CB 3.44Å; A66-S69 PolarHBondContact O-N 2.92Å; A66-S69 PolarHBondContact O-OG 3.05Å
70H67.3Low76.1Confident172 Ų17279.3 Ų79.380%0.79644%0.443SS*.PPolyproline II helixtrans-69.7135.4172.7-72.4-72.6000110.8S72H70-S72 PolarHBondContact O-N 3.49Å
71P73.9Confident76.1Confident73 Ų7380.2 Ų80.247%0.47445%0.448SS..PPolyproline II helixtrans-69.6119.7178.4-11.925.2000110.6V61V61-P71 HydrophobicContact CG1-CB 4.01Å
72S79.5Confident76.2Confident43 Ų4383.4 Ų83.430%0.30146%0.464SS..EExtended strand (participates in β ladder)trans-75.3136.8169.5-59.80000109.8V61 L62 H70 W74V61-S72 WeakPolarHBondContact CA-O 3.38Å; L62-S72 PolarHBondContact N-O 2.73Å; H70-S72 PolarHBondContact O-N 3.49Å; S72-W74 WeakPolarHBondContact O-CZ3 3.39Å
73R83.1Confident76.4Confident198 Ų19884.4 Ų84.475%0.74747%0.469SS*.EExtended strand (participates in β ladder)trans-123.7134.1-178.4-64-176-174.5-130.82.9110.5W60 V61W60-R73 WeakPolarHBondContact O-CA 3.46Å; V61-R73 HydrophobicContact CG2-CG 4.44Å
74W84.1Confident76.9Confident91 Ų9186.9 Ų86.935%0.34548%0.478SS..EExtended strand (participates in β ladder)trans-129.6151.2172.5-56.3-94.6000109.9H59 W60 L62 S72 L81 Y94H59-W74 WeakPolarHBondContact CA-O 3.04Å; W60-W74 HydrophobicContact CB-CB 4.41Å; W60-W74 HydrophobicContact CB-CE3 4.33Å; W60-W74 PolarHBondContact N-O 3.3Å; W60-W74 PolarHBondContact O-N 2.72Å; L62-W74 HydrophobicContact CB-CH2 3.7Å; L62-W74 HydrophobicContact CB-CZ3 3.47Å; L62-W74 VanDerWaalsContact CB-CZ3 3.47Å; L62-W74 HydrophobicContact CD2-CH2 3.91Å; L62-W74 HydrophobicContact CG-CH2 4.48Å; S72-W74 WeakPolarHBondContact O-CZ3 3.39Å; W74-L81 HydrophobicContact CB-CD1 4.19Å; W74-L81 HydrophobicContact CE3-CD2 4.46Å; W74-Y94 HydrophobicContact CH2-CE1 4.25Å; W74-Y94 HydrophobicContact CZ3-CD1 4.48Å; W74-Y94 HydrophobicContact CZ3-CE1 4.18Å
75A79Confident77.9Confident69 Ų6987 Ų8757%0.5749%0.487SS*.EExtended strand (participates in β ladder)trans-125129.7169.900000108T57T57-A75 HydrophobicContact CG2-CB 4.49Å
76G77.3Confident79.1Confident22 Ų2281.7 Ų81.723%0.22745%0.453CS..EExtended strand (participates in β ladder)trans-136.8152.8179.300000110.9V58V58-G76 PolarHBondContact N-O 3.19Å; V58-G76 PolarHBondContact O-N 2.92Å; V58-G76 VanDerWaalsContact O-N 3.14Å
77M76.6Confident80.3Confident144 Ų14482.3 Ų82.371%0.70945%0.445SS*.EExtended strand (participates in β ladder)trans-81128.6171.7-169.2170.4-178.200109.2N55N55-M77 HydrophobicContact CB-CE 3.79Å
78G80.1Confident82Confident13 Ų1381.3 Ų81.313%0.13442%0.424CS..SBendtrans80.6177.9-177.200000114.2A56 V58 R80A56-G78 PolarHBondContact O-N 2.83Å; A56-G78 VanDerWaalsContact O-N 3.09Å; V58-G78 WeakPolarHBondContact CG2-O 3.42Å; G78-R80 VanDerWaalsContact C-N 3.32Å; G78-R80 PolarHBondContact O-N 2.81Å
79R86.8Confident83.2Confident61 Ų6183.1 Ų83.123%0.2341%0.411CS..SBendtrans-80-0.7-169.572.2178.1-175.7165.30.4116.4T46 C47 V50T46-R79 HydrophobicContact CG2-CG 4.27Å; C47-R79 HydrophobicContact CB-CB 4.33Å; C47-R79 PolarHBondContact N-O 3.07Å; V50-R79 HydrophobicContact CB-CB 3.8Å; V50-R79 HydrophobicContact CG1-CB 3.82Å; V50-R79 WeakPolarHBondContact O-CD 3.25Å; V50-R79 PolarHBondContact O-NH1 2.76Å
80R88.4Confident84.4Confident141 Ų14182.8 Ų82.853%0.53241%0.405SS..EExtended strand (participates in β ladder)trans-111.6137.1-171.2-63.8-177.4-173.6-87.79.9111.2T44 L45 T46 G78T44-R80 HydrophobicContact CG2-CB 3.95Å; T44-R80 HydrophobicContact CG2-CG 4.19Å; L45-R80 CarbonylContact O-C 3.53Å; L45-R80 VanDerWaalsContact O-CA 3.27Å; L45-R80 WeakPolarHBondContact O-CA 3.46Å; T46-R80 PolarHBondContact OG1-NH1 3.15Å; T46-R80 VanDerWaalsContact OG1-NH1 3.15Å; G78-R80 VanDerWaalsContact C-N 3.32Å; G78-R80 PolarHBondContact O-N 2.81Å
81L89.4Confident85.5Confident20 Ų2075.4 Ų75.411%0.10537%0.373CS..EExtended strand (participates in β ladder)trans-120.8121.8170.6-179.969000109.1T44 L45 W60 W74 L83T44-L81 CarbonylContact C-O 3.55Å; T44-L81 WeakPolarHBondContact CA-O 3.48Å; L45-L81 HydrophobicContact CB-CB 4.33Å; L45-L81 HydrophobicContact CD1-CD2 4.23Å; L45-L81 PolarHBondContact N-O 3.01Å; L45-L81 PolarHBondContact O-N 2.87Å; W60-L81 HydrophobicContact CB-CD2 3.85Å; W60-L81 HydrophobicContact CD2-CB 4.13Å; W60-L81 HydrophobicContact CD2-CD2 4.04Å; W60-L81 HydrophobicContact CG-CB 4.24Å; W60-L81 HydrophobicContact CG-CD2 3.75Å; W60-L81 HydrophobicContact CG-CG 4.48Å; W60-L81 HydrophobicContact CZ2-CB 4.24Å; W74-L81 HydrophobicContact CB-CD1 4.19Å; W74-L81 HydrophobicContact CE3-CD2 4.46Å; L81-L83 HydrophobicContact CD2-CD2 4.14Å; L81-L83 HydrophobicContact CG-CD2 4.32Å
82L90.8Very high86.2Confident83 Ų8372.1 Ų72.144%0.43535%0.353SS..EExtended strand (participates in β ladder)trans-93.7117.8176-178.668000110T44 R84T44-L82 WeakPolarHBondContact OG1-CD1 3.18Å; L82-R84 HydrophobicContact CD2-CG 4.08Å; L82-R84 HydrophobicContact CG-CG 4.16Å
83L90.4Very high86.7Confident22 Ų2273.2 Ų73.212%0.11536%0.355CS..EExtended strand (participates in β ladder)trans-97.4124.9167.3-56.8177.3000108S42 V43 L45 L81 V86 Y94 L108S42-L83 CarbonylContact C-O 3.55Å; S42-L83 VanDerWaalsContact CA-O 3.26Å; S42-L83 WeakPolarHBondContact CA-O 3.48Å; V43-L83 PolarHBondContact N-O 2.58Å; V43-L83 PolarHBondContact O-N 2.96Å; L45-L83 HydrophobicContact CD1-CD1 3.87Å; L45-L83 HydrophobicContact CD1-CG 4.4Å; L45-L83 HydrophobicContact CG-CD1 4.32Å; L81-L83 HydrophobicContact CD2-CD2 4.14Å; L81-L83 HydrophobicContact CG-CD2 4.32Å; L83-V86 HydrophobicContact CB-CG2 3.66Å; L83-Y94 HydrophobicContact CD1-CE1 3.78Å; L83-Y94 HydrophobicContact CD1-CE2 4.48Å; L83-Y94 WeakPolarHBondContact CD1-OH 3.46Å; L83-L108 HydrophobicContact CD1-CD2 3.83Å
84R92.1Very high87Confident198 Ų19863.8 Ų63.875%0.74732%0.319SS*.PPolyproline II helixtrans-102.8138.2179.5-66.7-175.7178.5178.8-0.5109.8L82 V86L82-R84 HydrophobicContact CD2-CG 4.08Å; L82-R84 HydrophobicContact CG-CG 4.16Å; R84-V86 PolarHBondContact O-N 2.97Å
85S91.9Very high87.4Confident68 Ų6859.8 Ų59.848%0.47631%0.305SS..SBendtrans52.554.5176.8-159.60000112.7D41 Q87D41-S85 WeakPolarHBondContact O-CA 3.49Å; D41-S85 PolarHBondContact O-N 2.84Å; S85-Q87 PolarHBondContact O-NE2 2.71Å
86V91.7Very high88Confident0 Ų056.5 Ų56.50%028%0.278CS..  trans-61.8142.9-174-170.30000110.7P39 G40 D41 V43 L83 R84 D90 L108 V110P39-V86 CarbonylContact C-O 3.55Å; P39-V86 VanDerWaalsContact CA-O 3.22Å; P39-V86 WeakPolarHBondContact CA-O 3.15Å; G40-V86 PolarHBondContact N-O 3.16Å; D41-V86 WeakPolarHBondContact O-CG2 3.42Å; D41-V86 PolarHBondContact O-N 2.85Å; V43-V86 HydrophobicContact CB-CG2 4.13Å; V43-V86 HydrophobicContact CG2-CG2 3.85Å; L83-V86 HydrophobicContact CB-CG2 3.66Å; R84-V86 PolarHBondContact O-N 2.97Å; V86-D90 HydrophobicContact CG1-CB 3.53Å; V86-L108 HydrophobicContact CG1-CD2 4.22Å; V86-V110 HydrophobicContact CB-CG2 4.45Å; V86-V110 HydrophobicContact CG1-CB 4.42Å; V86-V110 HydrophobicContact CG1-CG1 4.29Å; V86-V110 HydrophobicContact CG1-CG2 3.33Å
87Q90.9Very high88.6Confident77 Ų7758.2 Ų58.236%0.3628%0.278SS..  trans-116.4166.4178.6-60.8-59.8-41.600111.8S85 H89 D90S85-Q87 PolarHBondContact O-NE2 2.71Å; Q87-H89 WeakPolarHBondContact CB-CE1 3.41Å; Q87-H89 PolarHBondContact O-N 3.03Å; Q87-H89 VanDerWaalsContact O-N 3.08Å; Q87-D90 PolarHBondContact N-OD2 2.83Å; Q87-D90 WeakPolarHBondContact O-CB 3.09Å; Q87-D90 PolarHBondContact O-N 3.26Å
88L86.6Confident89.1Confident88 Ų8856.9 Ų56.946%0.46127%0.265SS..G310 helixtrans-51.3-36.6177.9-73.8177000113.2P39 D90 S91 V110 V112P39-L88 HydrophobicContact CG-CD2 4.28Å; P39-L88 HydrophobicContact CG-CG 4.3Å; L88-D90 VanDerWaalsContact C-N 3.26Å; L88-D90 PolarHBondContact O-N 2.92Å; L88-S91 WeakPolarHBondContact O-CB 3.5Å; L88-S91 PolarHBondContact O-N 3.36Å; L88-S91 PolarHBondContact O-OG 2.82Å; L88-V110 WeakPolarHBondContact CD2-O 3.17Å; L88-V112 HydrophobicContact CD1-CG2 4.27Å; L88-V112 HydrophobicContact CD2-CG2 3.98Å; L88-V112 HydrophobicContact CG-CG2 4.41Å
89H84.9Confident89.3Confident118 Ų11860.9 Ų60.955%0.54630%0.297SS..G310 helixtrans-76.5-6.3-179.163.2-109.8000114.9Q87 S91Q87-H89 WeakPolarHBondContact CB-CE1 3.41Å; Q87-H89 PolarHBondContact O-N 3.03Å; Q87-H89 VanDerWaalsContact O-N 3.08Å; H89-S91 VanDerWaalsContact C-N 3.28Å
90D88Confident89Confident37 Ų3761 Ų6120%0.19832%0.317CS..G310 helixtrans-86.3-4.3172.7-63.5-39.5000112V86 Q87 L88 Y94V86-D90 HydrophobicContact CG1-CB 3.53Å; Q87-D90 PolarHBondContact N-OD2 2.83Å; Q87-D90 WeakPolarHBondContact O-CB 3.09Å; Q87-D90 PolarHBondContact O-N 3.26Å; L88-D90 VanDerWaalsContact C-N 3.26Å; L88-D90 PolarHBondContact O-N 2.92Å; D90-Y94 WeakPolarHBondContact O-CE2 2.91Å; D90-Y94 PolarHBondContact O-OH 3.33Å
91S89.2Confident88.9Confident18 Ų1863.7 Ų63.713%0.12633%0.327CS..  trans-60.3134.7170-590000110.9P65 L88 H89 L108 V110P65-S91 VanDerWaalsContact CD-O 3.23Å; P65-S91 WeakPolarHBondContact CD-O 3.17Å; L88-S91 WeakPolarHBondContact O-CB 3.5Å; L88-S91 PolarHBondContact O-N 3.36Å; L88-S91 PolarHBondContact O-OG 2.82Å; H89-S91 VanDerWaalsContact C-N 3.28Å; S91-L108 CarbonylContact C-O 3.55Å; S91-L108 WeakPolarHBondContact CA-O 3.37Å; S91-V110 WeakPolarHBondContact OG-CB 3.46Å; S91-V110 PolarHBondContact OG-N 2.9Å; S91-V110 PolarHBondContact OG-O 2.9Å
92G88.6Confident88.9Confident4 Ų467.8 Ų67.84%0.04136%0.356CS..EExtended strand (participates in β ladder)trans157.3-167.3179.300000113.8L108G92-L108 PolarHBondContact N-O 2.86Å; G92-L108 PolarHBondContact O-N 2.9Å
93N90.3Very high88.8Confident65 Ų6564.8 Ų64.835%0.34834%0.343SS..EExtended strand (participates in β ladder)trans-102.4112-173.7-66-3.3000109.8R63 T105 H107R63-N93 PolarHBondContact N-O 2.85Å; R63-N93 PolarHBondContact O-N 3.36Å; N93-T105 HydrophobicContact CB-CG2 4.08Å; N93-H107 VanDerWaalsContact CG-CD2 3.42Å; N93-H107 PolarHBondContact ND2-NE2 3.36Å; N93-H107 PolarHBondContact OD1-CD2 3.27Å
94Y90.3Very high88.8Confident1 Ų165 Ų650%0.00435%0.349CS..EExtended strand (participates in β ladder)trans-94.7102.4178.6-69.4-97.9000109.3L45 L62 W74 L83 D90 T105 V106 L108L45-Y94 HydrophobicContact CD1-CD1 3.32Å; L45-Y94 HydrophobicContact CD1-CD2 3.89Å; L45-Y94 HydrophobicContact CD1-CE1 3.79Å; L45-Y94 HydrophobicContact CD1-CE2 4.33Å; L45-Y94 HydrophobicContact CD1-CG 3.36Å; L62-Y94 HydrophobicContact CB-CD1 4.19Å; L62-Y94 HydrophobicContact CB-CE1 3.99Å; L62-Y94 HydrophobicContact CD1-CD1 4.19Å; L62-Y94 HydrophobicContact CD1-CD2 3.85Å; L62-Y94 HydrophobicContact CD1-CE1 3.87Å; L62-Y94 HydrophobicContact CD1-CE2 3.46Å; L62-Y94 VanDerWaalsContact CD1-CE2 3.46Å; L62-Y94 HydrophobicContact CD1-CG 4.19Å; L62-Y94 VanDerWaalsContact CD1-CZ 3.49Å; L62-Y94 HydrophobicContact CD2-CE1 4.16Å; L62-Y94 HydrophobicContact CG-CE1 4.22Å; W74-Y94 HydrophobicContact CH2-CE1 4.25Å; W74-Y94 HydrophobicContact CZ3-CD1 4.48Å; W74-Y94 HydrophobicContact CZ3-CE1 4.18Å; L83-Y94 HydrophobicContact CD1-CE1 3.78Å; L83-Y94 HydrophobicContact CD1-CE2 4.48Å; L83-Y94 WeakPolarHBondContact CD1-OH 3.46Å; D90-Y94 WeakPolarHBondContact O-CE2 2.91Å; D90-Y94 PolarHBondContact O-OH 3.33Å; Y94-T105 CarbonylContact O-C 3.5Å; Y94-T105 WeakPolarHBondContact O-CA 3.27Å; Y94-V106 PolarHBondContact N-O 3.03Å; Y94-V106 PolarHBondContact O-N 2.91Å; Y94-L108 HydrophobicContact CD2-CB 3.88Å; Y94-L108 HydrophobicContact CE2-CB 3.67Å; Y94-L108 HydrophobicContact CE2-CD2 3.74Å; Y94-L108 HydrophobicContact CE2-CG 4.32Å
95S91.6Very high88.7Confident7 Ų758.6 Ų58.65%0.04933%0.333CS..EExtended strand (participates in β ladder)trans-90.9127.8177.5-54.90000109.8W60 V61W60-S95 WeakPolarHBondContact CA-O 3.38Å; V61-S95 PolarHBondContact N-O 2.89Å; V61-S95 PolarHBondContact O-N 2.82Å
96C91.1Very high88.6Confident0 Ų056.2 Ų56.20%032%0.315CS..EExtended strand (participates in β ladder)trans-101.8140.6174.856.80000111.4C47 V58 H59 W60 A103 G104C47-C96 HydrophobicContact CB-CB 3.73Å; C47-C96 WeakPolarHBondContact CB-SG 3.21Å; C47-C96 WeakPolarHBondContact SG-CB 3.4Å; C47-C96 CovalentContact SG-SG 2.04Å; C47-C96 PolarHBondContact SG-SG 3.07Å; V58-C96 HydrophobicContact CG1-CB 3.82Å; H59-C96 CarbonylContact O-C 3.57Å; H59-C96 WeakPolarHBondContact O-CA 3.43Å; W60-C96 HydrophobicContact CD2-CB 3.96Å; W60-C96 HydrophobicContact CE3-CB 3.84Å; W60-C96 HydrophobicContact CH2-CB 3.94Å; W60-C96 HydrophobicContact CZ2-CB 4.03Å; W60-C96 HydrophobicContact CZ3-CB 3.83Å; C96-A103 PolarHBondContact O-N 2.93Å; C96-G104 PolarHBondContact N-O 2.98Å; C96-G104 PolarHBondContact SG-O 3.3Å; C96-G104 VanDerWaalsContact SG-O 3.34Å
97Y89.9Confident88.6Confident58 Ų5859.7 Ų59.723%0.22733%0.332CS..EExtended strand (participates in β ladder)trans-127.6132.9-179.4-63.3-96.7000110.5H59 V61 R101 P102H59-Y97 PolarHBondContact N-O 2.83Å; H59-Y97 PolarHBondContact O-N 3.43Å; V61-Y97 HydrophobicContact CB-CE2 4.11Å; V61-Y97 HydrophobicContact CG2-CD2 3.98Å; V61-Y97 HydrophobicContact CG2-CE2 3.73Å; Y97-R101 CarbonylContact C-O 3.52Å; Y97-R101 WeakPolarHBondContact CA-O 3.47Å; Y97-P102 HydrophobicContact CD1-CB 4.3Å; Y97-P102 HydrophobicContact CE1-CB 4.09Å
98R88Confident88.6Confident115 Ų11556.3 Ų56.343%0.43432%0.316SS..EExtended strand (participates in β ladder)trans-115122.7174.6-175.2-177.1-177.3-132.7-1108.6V50 D54 G100 R101 A103V50-R98 HydrophobicContact CG2-CB 4.4Å; D54-R98 IonicContact OD1-NH2 3.39Å; D54-R98 IonicContact OD2-CZ 3.64Å; D54-R98 IonicContact OD2-NE 3.58Å; D54-R98 PolarHBondContact OD2-NE 2.88Å; D54-R98 IonicContact OD2-NH2 3.25Å; D54-R98 PolarHBondContact OD2-NH2 2.98Å; R98-G100 PolarHBondContact O-N 2.69Å; R98-G100 VanDerWaalsContact O-N 3.09Å; R98-R101 PolarHBondContact N-O 2.97Å; R98-R101 PolarHBondContact O-N 2.83Å; R98-A103 HydrophobicContact CB-CB 4.31Å
99A84.3Confident88.8Confident97 Ų9753.9 Ų53.980%0.80230%0.303SS*.THydrogen-bonded Turntrans47.439.6-177.700000113.5R101A99-R101 VanDerWaalsContact C-N 3.31Å; A99-R101 PolarHBondContact O-N 2.67Å
100G80.9Confident89.1Confident64 Ų6448.5 Ų48.566%0.6628%0.278SS*.THydrogen-bonded Turntrans81-5.3-17900000116.1R98R98-G100 PolarHBondContact O-N 2.69Å; R98-G100 VanDerWaalsContact O-N 3.09Å
101R86.4Confident89.2Confident197 Ų19746.7 Ų46.774%0.74327%0.269SS*.EExtended strand (participates in β ladder)trans-97141.7177.5-62.2-175.6-179.3-168-0111.5Y97 R98 A99 A103Y97-R101 CarbonylContact C-O 3.52Å; Y97-R101 WeakPolarHBondContact CA-O 3.47Å; R98-R101 PolarHBondContact N-O 2.97Å; R98-R101 PolarHBondContact O-N 2.83Å; A99-R101 VanDerWaalsContact C-N 3.31Å; A99-R101 PolarHBondContact O-N 2.67Å; R101-A103 PolarHBondContact O-N 2.86Å
102P89.3Confident89.2Confident107 Ų10749 Ų4970%0.69528%0.282SS*.EExtended strand (participates in β ladder)trans-65.8124.9176.827.8-33.3000110.2Y97Y97-P102 HydrophobicContact CD1-CB 4.3Å; Y97-P102 HydrophobicContact CE1-CB 4.09Å
103A88.6Confident89.3Confident20 Ų2051.7 Ų51.717%0.16530%0.299CS..EExtended strand (participates in β ladder)trans-108.5-9.3-178.200000113.1G49 V50 C96 R98 R101G49-A103 WeakPolarHBondContact CA-O 3.24Å; G49-A103 PolarHBondContact N-O 2.96Å; V50-A103 HydrophobicContact CG2-CB 4.1Å; C96-A103 PolarHBondContact O-N 2.93Å; R98-A103 HydrophobicContact CB-CB 4.31Å; R101-A103 PolarHBondContact O-N 2.86Å
104G89.1Confident89.4Confident25 Ų2549.3 Ų49.326%0.25829%0.287SS..EExtended strand (participates in β ladder)trans149.8175173.800000112.9C96C96-G104 PolarHBondContact N-O 2.98Å; C96-G104 PolarHBondContact SG-O 3.3Å; C96-G104 VanDerWaalsContact SG-O 3.34Å
105T90.6Very high89.6Confident64 Ų6451.3 Ų51.339%0.39330%0.296SS..EExtended strand (participates in β ladder)trans-133.2131.7177.8-55.50000109.8N93 Y94N93-T105 HydrophobicContact CB-CG2 4.08Å; Y94-T105 CarbonylContact O-C 3.5Å; Y94-T105 WeakPolarHBondContact O-CA 3.27Å
106V91Very high89.7Confident19 Ų1955.3 Ų55.312%0.11531%0.314CS..EExtended strand (participates in β ladder)trans-108.3125.9172-175.40000108L45 T46 W60 Y94L45-V106 HydrophobicContact CD2-CG1 3.87Å; T46-V106 WeakPolarHBondContact O-CG2 3.48Å; W60-V106 HydrophobicContact CH2-CG2 4.29Å; W60-V106 HydrophobicContact CZ3-CG2 4.25Å; Y94-V106 PolarHBondContact N-O 3.03Å; Y94-V106 PolarHBondContact O-N 2.91Å
107H90.7Very high89.9Confident73 Ų7355.3 Ų55.334%0.33831%0.314SS..EExtended strand (participates in β ladder)trans-94.1116.5177.2-64.774.1000107.8V34 L35 N93V34-H107 WeakPolarHBondContact CA-O 3.34Å; V34-H107 HydrophobicContact CB-CB 4.36Å; V34-H107 HydrophobicContact CG1-CB 4.44Å; V34-H107 HydrophobicContact CG2-CB 3.9Å; L35-H107 PolarHBondContact N-O 3.16Å; N93-H107 VanDerWaalsContact CG-CD2 3.42Å; N93-H107 PolarHBondContact ND2-NE2 3.36Å; N93-H107 PolarHBondContact OD1-CD2 3.27Å
108L90.9Very high90.2Very high5 Ų557.7 Ų57.73%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-105.7126.4177.217964.7000109.2L35 V43 L45 L83 V86 S91 G92 Y94 V110L35-L108 HydrophobicContact CB-CD1 4.36Å; L35-L108 HydrophobicContact CD2-CD1 4.24Å; L35-L108 HydrophobicContact CG-CD1 4.26Å; L35-L108 WeakPolarHBondContact O-CA 3.29Å; V43-L108 HydrophobicContact CG1-CD1 3.95Å; L45-L108 HydrophobicContact CD2-CB 4.47Å; L45-L108 HydrophobicContact CD2-CD2 4.48Å; L83-L108 HydrophobicContact CD1-CD2 3.83Å; V86-L108 HydrophobicContact CG1-CD2 4.22Å; S91-L108 CarbonylContact C-O 3.55Å; S91-L108 WeakPolarHBondContact CA-O 3.37Å; G92-L108 PolarHBondContact N-O 2.86Å; G92-L108 PolarHBondContact O-N 2.9Å; Y94-L108 HydrophobicContact CD2-CB 3.88Å; Y94-L108 HydrophobicContact CE2-CB 3.67Å; Y94-L108 HydrophobicContact CE2-CD2 3.74Å; Y94-L108 HydrophobicContact CE2-CG 4.32Å; L108-V110 HydrophobicContact CD2-CG2 4.18Å; L108-V110 HydrophobicContact CG-CG2 4.07Å
109L90.8Very high90.6Very high38 Ų3853.6 Ų53.620%0.19931%0.314CS..EExtended strand (participates in β ladder)trans-117.7112172.617761000108.9V34 L35 T36 S37 D111 T143 S197V34-L109 HydrophobicContact CG1-CB 3.71Å; L35-L109 PolarHBondContact O-N 2.97Å; T36-L109 CarbonylContact C-O 3.52Å; T36-L109 VanDerWaalsContact CA-O 3.23Å; T36-L109 WeakPolarHBondContact CA-O 3.43Å; T36-L109 HydrophobicContact CG2-CB 4.3Å; T36-L109 HydrophobicContact CG2-CD2 4.27Å; S37-L109 PolarHBondContact N-O 2.94Å; L109-D111 HydrophobicContact CG-CB 4.36Å; L109-T143 HydrophobicContact CD1-CG2 4.3Å; L109-T143 HydrophobicContact CD2-CG2 4.11Å; L109-S197 WeakPolarHBondContact CD2-OG 3.31Å
110V90.7Very high91.2Very high4 Ų451.7 Ų51.72%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-96.9119.3174.4-170.10000106.1S37 P39 V86 L88 S91 L108S37-V110 WeakPolarHBondContact O-CA 3.49Å; P39-V110 HydrophobicContact CG-CG1 4.06Å; V86-V110 HydrophobicContact CB-CG2 4.45Å; V86-V110 HydrophobicContact CG1-CB 4.42Å; V86-V110 HydrophobicContact CG1-CG1 4.29Å; V86-V110 HydrophobicContact CG1-CG2 3.33Å; L88-V110 WeakPolarHBondContact CD2-O 3.17Å; S91-V110 WeakPolarHBondContact OG-CB 3.46Å; S91-V110 PolarHBondContact OG-N 2.9Å; S91-V110 PolarHBondContact OG-O 2.9Å; L108-V110 HydrophobicContact CD2-CG2 4.18Å; L108-V110 HydrophobicContact CG-CG2 4.07Å
111D90.4Very high92Very high0 Ų049 Ų490%027%0.266CS..  trans-138.9160.1-170.4-159.1-2.6000110.9S37 P39 L109 S141 T143 S197 V198S37-D111 PolarHBondContact O-N 3.25Å; P39-D111 WeakPolarHBondContact CD-O 3.34Å; L109-D111 HydrophobicContact CG-CB 4.36Å; D111-S141 VanDerWaalsContact OD1-CB 3.26Å; D111-S141 WeakPolarHBondContact OD1-CB 2.95Å; D111-S141 PolarHBondContact OD1-OG 3.03Å; D111-T143 PolarHBondContact OD2-OG1 3.09Å; D111-S197 WeakPolarHBondContact CB-OG 3.47Å; D111-S197 VanDerWaalsContact CG-OG 3.29Å; D111-S197 WeakPolarHBondContact OD2-CB 3.36Å; D111-S197 PolarHBondContact OD2-N 2.92Å; D111-S197 PolarHBondContact OD2-OG 3.24Å; D111-V198 HydrophobicContact CB-CG1 4.03Å; D111-V198 HydrophobicContact CB-CG2 3.99Å
112V89.8Confident92.3Very high65 Ų6541.6 Ų41.639%0.39424%0.239SC..  trans-111.8132.2-174.8176.10000109.8P39 L88 S196P39-V112 HydrophobicContact CG-CG2 3.78Å; L88-V112 HydrophobicContact CD1-CG2 4.27Å; L88-V112 HydrophobicContact CD2-CG2 3.98Å; L88-V112 HydrophobicContact CG-CG2 4.41Å; V112-S196 PolarHBondContact O-OG 2.92Å
113P90.6Very high92.6Very high62 Ų6237.2 Ų37.240%0.40321%0.209SC..PPolyproline II helixtrans-58135.6173.4-24.134.5000110.5L38 V198L38-P113 HydrophobicContact CD2-CG 3.65Å; P113-V198 HydrophobicContact CG-CG2 4.03Å
114P92.4Very high92.9Very high14 Ų1438.6 Ų38.69%0.09121%0.211CC..PPolyproline II helixtrans-67148.5-173.626-32.4000111.3V194 S196 G199 K201P114-V194 HydrophobicContact CB-CB 4.27Å; P114-V194 HydrophobicContact CB-CG1 3.74Å; P114-V194 WeakPolarHBondContact CG-O 3.32Å; P114-S196 WeakPolarHBondContact CD-OG 3.37Å; P114-G199 VanDerWaalsContact CD-O 3.31Å; P114-G199 WeakPolarHBondContact CD-O 3.26Å; P114-G199 WeakPolarHBondContact CG-O 3.37Å; P114-K201 HydrophobicContact CG-CB 4.34Å; P114-K201 HydrophobicContact CG-CG 4.25Å; P114-K201 VanDerWaalsContact O-CG 3.26Å; P114-K201 WeakPolarHBondContact O-CG 3.31Å
115E93.6Very high93.1Very high44 Ų4437.4 Ų37.421%0.20620%0.199CC..PPolyproline II helixtrans-66.1152.7169.9-64.9-177.8-15900110.8P117 W134 R137 S138E115-P117 VanDerWaalsContact O-CD 3.23Å; E115-P117 WeakPolarHBondContact O-CD 3.44Å; E115-W134 HydrophobicContact CB-CH2 4.12Å; E115-W134 HydrophobicContact CB-CZ2 3.9Å; E115-R137 WeakPolarHBondContact OE2-CB 2.95Å; E115-R137 IonicContact OE2-CZ 2.68Å; E115-R137 PolarHBondContact OE2-N 2.91Å; E115-R137 VanDerWaalsContact OE2-N 3.1Å; E115-R137 IonicContact OE2-NE 3.86Å; E115-R137 PolarHBondContact OE2-NE 3.4Å; E115-R137 IonicContact OE2-NH1 2.75Å; E115-R137 IonicContact OE2-NH2 3.59Å; E115-R137 PolarHBondContact OE2-NH2 2.94Å; E115-R137 VanDerWaalsContact OE2-NH2 3.11Å; E115-S138 PolarHBondContact OE1-N 3.23Å
116E94.8Very high93.2Very high90 Ų9034.7 Ų34.742%0.42118%0.182SC..PPolyproline II helixtrans-70.2116.3173.7-169.4175140.600110.7Q118E116-Q118 PolarHBondContact O-NE2 2.95Å
117P95.7Very high93.1Very high0 Ų038 Ų380%020%0.198CC..PPolyproline II helixtrans-68.7137.8-172.5-17.631.1000113E115 W134 M192 V194 S203E115-P117 VanDerWaalsContact O-CD 3.23Å; E115-P117 WeakPolarHBondContact O-CD 3.44Å; P117-W134 VanDerWaalsContact CA-CE2 3.48Å; P117-W134 HydrophobicContact CB-CD2 3.57Å; P117-W134 HydrophobicContact CB-CE3 3.72Å; P117-W134 HydrophobicContact CB-CG 3.95Å; P117-W134 HydrophobicContact CB-CH2 4.37Å; P117-W134 HydrophobicContact CB-CZ2 4.28Å; P117-W134 HydrophobicContact CB-CZ3 4.15Å; P117-W134 HydrophobicContact CG-CD2 4.41Å; P117-W134 HydrophobicContact CG-CE3 4.16Å; P117-W134 HydrophobicContact CG-CH2 4.27Å; P117-W134 HydrophobicContact CG-CZ3 4.12Å; P117-M192 HydrophobicContact CB-CB 4.46Å; P117-M192 HydrophobicContact CB-CG 4.45Å; P117-M192 HydrophobicContact CB-SD 4.2Å; P117-V194 HydrophobicContact CB-CG2 4.26Å; P117-V194 HydrophobicContact CG-CB 4Å; P117-V194 HydrophobicContact CG-CG2 3.4Å; P117-S203 WeakPolarHBondContact O-CA 3.41Å; P117-S203 WeakPolarHBondContact O-CB 3.08Å
118Q96.2Very high93.2Very high109 Ų10935.9 Ų35.951%0.50919%0.192SC..  trans-102.291.4170.9-59.4-53.5-57.100108.8E116 W134E116-Q118 PolarHBondContact O-NE2 2.95Å; Q118-W134 VanDerWaalsContact O-CD1 3.24Å
119L96.8Very high93.4Very high28 Ų2838.6 Ų38.615%0.14721%0.207CC..  trans-74.2134.6-174.1-173.161.6000111.7C132 L148 V190 M192L119-C132 HydrophobicContact CD1-CB 3.95Å; L119-L148 HydrophobicContact CD1-CD1 4.22Å; L119-L148 HydrophobicContact CD2-CD1 4.07Å; L119-V190 HydrophobicContact CD2-CG2 3.95Å; L119-M192 HydrophobicContact CD1-CB 3.82Å; L119-M192 HydrophobicContact CD1-CE 3.72Å; L119-M192 HydrophobicContact CD1-SD 4.41Å; L119-M192 HydrophobicContact CD2-CB 4.34Å; L119-M192 HydrophobicContact CG-CB 4.5Å
120S96.4Very high93.7Very high58 Ų5836.8 Ų36.841%0.40620%0.197SC..EExtended strand (participates in β ladder)trans-131.4115.9168.5-175.30000109.8C132 E133S120-C132 WeakPolarHBondContact O-CA 3.16Å; S120-E133 PolarHBondContact N-O 2.83Å; S120-E133 PolarHBondContact O-N 3.45Å
121C96.5Very high94Very high8 Ų838.3 Ų38.35%0.05421%0.206CC..EExtended strand (participates in β ladder)trans-106.4138.3174-590000111.6V130 V131 C132 F208 I213C121-V130 HydrophobicContact CB-CG1 4.24Å; C121-V131 CarbonylContact C-O 3.58Å; C121-V131 VanDerWaalsContact CA-O 3.25Å; C121-V131 WeakPolarHBondContact CA-O 3.41Å; C121-C132 HydrophobicContact CB-CB 4.15Å; C121-C132 WeakPolarHBondContact CB-SG 3.48Å; C121-C132 WeakPolarHBondContact SG-CB 3.18Å; C121-C132 CovalentContact SG-SG 2.04Å; C121-C132 PolarHBondContact SG-SG 2.86Å; C121-F208 HydrophobicContact CB-CE1 4.31Å; C121-I213 HydrophobicContact CB-CD1 3.81Å
122F94.3Very high94.4Very high41 Ų4138.3 Ų38.318%0.1821%0.206CC..EExtended strand (participates in β ladder)trans-152.9161177.454.1-97000111.4K124 V131 E133F122-K124 HydrophobicContact CD2-CD 3.98Å; F122-K124 VanDerWaalsContact CD2-CE 3.42Å; F122-K124 HydrophobicContact CD2-CG 4.18Å; F122-K124 HydrophobicContact CE2-CD 4.38Å; F122-K124 HydrophobicContact CE2-CG 4.36Å; F122-V131 HydrophobicContact CD2-CB 4.48Å; F122-V131 HydrophobicContact CE2-CB 4.05Å; F122-V131 HydrophobicContact CE2-CG1 4.38Å; F122-V131 HydrophobicContact CZ-CB 4.33Å; F122-V131 HydrophobicContact CZ-CG1 4.2Å; F122-V131 PolarHBondContact N-O 3.37Å; F122-V131 PolarHBondContact O-N 3.14Å; F122-E133 HydrophobicContact CE1-CG 3.76Å; F122-E133 HydrophobicContact CZ-CG 4.24Å
123R95.5Very high94.7Very high14 Ų1437.1 Ų37.15%0.05320%0.196CC..BIsolated β-bridgetrans-133.3124.9175-175.9-177.5-172.4156.511.1109.5S125 P126 S128 V130 V180 G210 I213 L214 Q215R123-S125 WeakPolarHBondContact CG-O 3.38Å; R123-S125 PolarHBondContact NE-O 3.27Å; R123-P126 VanDerWaalsContact CZ-O 3.28Å; R123-P126 PolarHBondContact NH2-O 2.57Å; R123-S128 PolarHBondContact NE-O 2.94Å; R123-S128 PolarHBondContact NH2-O 2.81Å; R123-V130 HydrophobicContact CB-CG2 4.22Å; R123-V130 HydrophobicContact CG-CG2 4.49Å; R123-V180 PolarHBondContact NH1-O 3.18Å; R123-V180 PolarHBondContact NH2-O 3Å; R123-G210 PolarHBondContact NH1-O 2.89Å; R123-I213 HydrophobicContact CB-CG2 4.05Å; R123-I213 PolarHBondContact N-O 2.97Å; R123-L214 HydrophobicContact CG-CD1 4.3Å; R123-Q215 CarbonylContact O-C 3.57Å; R123-Q215 PolarHBondContact O-N 3.3Å
124K95Very high95Very high50 Ų5034.7 Ų34.722%0.21718%0.179CC..SBendtrans-89.1-33-171-61.1-56.1-169.8174.50114F122 S128 Q215 D217F122-K124 HydrophobicContact CD2-CD 3.98Å; F122-K124 VanDerWaalsContact CD2-CE 3.42Å; F122-K124 HydrophobicContact CD2-CG 4.18Å; F122-K124 HydrophobicContact CE2-CD 4.38Å; F122-K124 HydrophobicContact CE2-CG 4.36Å; K124-S128 PolarHBondContact N-OG 2.68Å; K124-Q215 WeakPolarHBondContact CD-O 3.39Å; K124-D217 WeakPolarHBondContact CE-OD1 3.15Å; K124-D217 IonicContact NZ-OD1 2.64Å; K124-D217 PolarHBondContact NZ-OD1 2.85Å
125S93.3Very high95.2Very high0 Ų035.7 Ų35.70%019%0.192CC..SBendtrans-136.8156.3175.1760000111.5R123 L127 S128 L214 N245R123-S125 WeakPolarHBondContact CG-O 3.38Å; R123-S125 PolarHBondContact NE-O 3.27Å; S125-L127 PolarHBondContact O-N 3.48Å; S125-L127 VanDerWaalsContact O-N 3.13Å; S125-S128 PolarHBondContact N-OG 2.75Å; S125-S128 PolarHBondContact O-N 3.1Å; S125-S128 VanDerWaalsContact O-N 3.08Å; S125-S128 PolarHBondContact O-OG 2.8Å; S125-S128 VanDerWaalsContact OG-CB 3.31Å; S125-S128 WeakPolarHBondContact OG-CB 3.47Å; S125-S128 PolarHBondContact OG-N 2.69Å; S125-S128 PolarHBondContact OG-OG 3.37Å; S125-L214 VanDerWaalsContact C-CD1 3.48Å; S125-N245 PolarHBondContact OG-OD1 2.73Å
126P91.2Very high95.3Very high7 Ų734.5 Ų34.55%0.04519%0.188CC..THydrogen-bonded Turntrans-59.6-23.7179.7-26.836000113.9R123 L214 W244 Y249R123-P126 VanDerWaalsContact CZ-O 3.28Å; R123-P126 PolarHBondContact NH2-O 2.57Å; P126-L214 HydrophobicContact CG-CD1 4.28Å; P126-L214 HydrophobicContact CG-CD2 3.9Å; P126-W244 VanDerWaalsContact CD-CH2 3.41Å; P126-W244 HydrophobicContact CG-CH2 3.78Å; P126-W244 HydrophobicContact CG-CZ2 4.27Å; P126-W244 HydrophobicContact CG-CZ3 4.34Å; P126-Y249 HydrophobicContact CB-CD1 4.24Å; P126-Y249 HydrophobicContact CB-CD2 3.78Å; P126-Y249 HydrophobicContact CB-CE1 4.14Å; P126-Y249 HydrophobicContact CB-CE2 3.67Å; P126-Y249 HydrophobicContact CB-CG 4.07Å; P126-Y249 HydrophobicContact CG-CD1 3.94Å; P126-Y249 HydrophobicContact CG-CD2 3.83Å; P126-Y249 HydrophobicContact CG-CE1 4.31Å; P126-Y249 HydrophobicContact CG-CE2 4.22Å; P126-Y249 HydrophobicContact CG-CG 3.68Å
127L90.1Very high95.2Very high87 Ų8739.4 Ų39.446%0.45520%0.203SC..THydrogen-bonded Turntrans-96.2-15.3178.1-69.9173.2000113.6S125 E182 S246 Y249S125-L127 PolarHBondContact O-N 3.48Å; S125-L127 VanDerWaalsContact O-N 3.13Å; L127-E182 VanDerWaalsContact CD2-CD 3.5Å; L127-E182 HydrophobicContact CD2-CG 4.22Å; L127-E182 WeakPolarHBondContact CD2-OE1 3.37Å; L127-S246 WeakPolarHBondContact CD1-OG 3.05Å; L127-Y249 HydrophobicContact CG-CE2 4.49Å
128S93.2Very high95Very high29 Ų2943 Ų4320%0.20323%0.228CC..SBendtrans-74.4151.2176.566.50000112.1R123 K124 S125R123-S128 PolarHBondContact NE-O 2.94Å; R123-S128 PolarHBondContact NH2-O 2.81Å; K124-S128 PolarHBondContact N-OG 2.68Å; S125-S128 PolarHBondContact N-OG 2.75Å; S125-S128 PolarHBondContact O-N 3.1Å; S125-S128 VanDerWaalsContact O-N 3.08Å; S125-S128 PolarHBondContact O-OG 2.8Å; S125-S128 VanDerWaalsContact OG-CB 3.31Å; S125-S128 WeakPolarHBondContact OG-CB 3.47Å; S125-S128 PolarHBondContact OG-N 2.69Å; S125-S128 PolarHBondContact OG-OG 3.37Å
129N95.3Very high94.7Very high63 Ų6342.1 Ų42.134%0.33723%0.23SC..PPolyproline II helixtrans-64.7154.4169.9-69.5-28.1000110.8V131 Q177N129-V131 PolarHBondContact O-N 2.95Å; N129-Q177 HydrophobicContact CB-CB 4.22Å; N129-Q177 PolarHBondContact ND2-OE1 3.36Å
130V96.5Very high94.4Very high0 Ų042.1 Ų42.10%023%0.232CC..EExtended strand (participates in β ladder)trans-69.5125.6166.11780000107.5C121 R123 Q177 L178 V180 F208 I213C121-V130 HydrophobicContact CB-CG1 4.24Å; R123-V130 HydrophobicContact CB-CG2 4.22Å; R123-V130 HydrophobicContact CG-CG2 4.49Å; V130-Q177 WeakPolarHBondContact O-CA 3.41Å; V130-L178 HydrophobicContact CB-CB 4.24Å; V130-L178 PolarHBondContact N-O 3.11Å; V130-L178 PolarHBondContact O-N 3.39Å; V130-V180 HydrophobicContact CB-CG2 4.49Å; V130-V180 HydrophobicContact CG2-CB 4.22Å; V130-V180 HydrophobicContact CG2-CG2 3.65Å; V130-F208 HydrophobicContact CG1-CE2 4.45Å; V130-F208 HydrophobicContact CG1-CZ 4Å; V130-F208 HydrophobicContact CG2-CE2 4.32Å; V130-I213 HydrophobicContact CG1-CD1 3.87Å; V130-I213 HydrophobicContact CG2-CG2 3.87Å
131V96.9Very high93.9Very high35 Ų3540.9 Ų40.921%0.21222%0.223CC..EExtended strand (participates in β ladder)trans-101.6125.4175.6179.10000107.9C121 F122 N129C121-V131 CarbonylContact C-O 3.58Å; C121-V131 VanDerWaalsContact CA-O 3.25Å; C121-V131 WeakPolarHBondContact CA-O 3.41Å; F122-V131 HydrophobicContact CD2-CB 4.48Å; F122-V131 HydrophobicContact CE2-CB 4.05Å; F122-V131 HydrophobicContact CE2-CG1 4.38Å; F122-V131 HydrophobicContact CZ-CB 4.33Å; F122-V131 HydrophobicContact CZ-CG1 4.2Å; F122-V131 PolarHBondContact N-O 3.37Å; F122-V131 PolarHBondContact O-N 3.14Å; N129-V131 PolarHBondContact O-N 2.95Å
132C97.5Very high93.3Very high0 Ų048.9 Ų48.90%026%0.264CS..EExtended strand (participates in β ladder)trans-114.9118.2174.2-71.50000108.9L119 S120 C121 L148 C176L119-C132 HydrophobicContact CD1-CB 3.95Å; S120-C132 WeakPolarHBondContact O-CA 3.16Å; C121-C132 HydrophobicContact CB-CB 4.15Å; C121-C132 WeakPolarHBondContact CB-SG 3.48Å; C121-C132 WeakPolarHBondContact SG-CB 3.18Å; C121-C132 CovalentContact SG-SG 2.04Å; C121-C132 PolarHBondContact SG-SG 2.86Å; C132-L148 HydrophobicContact CB-CD1 3.87Å; C132-L148 HydrophobicContact CB-CD2 3.9Å; C132-C176 PolarHBondContact N-O 3.3Å; C132-C176 PolarHBondContact O-N 2.89Å
133E97.4Very high92.9Very high40 Ų4048.9 Ų48.919%0.18727%0.268CS..EExtended strand (participates in β ladder)trans-130.7157.2-174.562.2169.2-13700113.9S120 F122 K173 F174S120-E133 PolarHBondContact N-O 2.83Å; S120-E133 PolarHBondContact O-N 3.45Å; F122-E133 HydrophobicContact CE1-CG 3.76Å; F122-E133 HydrophobicContact CZ-CG 4.24Å; E133-K173 IonicContact OE1-NZ 3.51Å; E133-K173 PolarHBondContact OE1-NZ 2.98Å; E133-K173 IonicContact OE2-NZ 3.63Å; E133-F174 CarbonylContact C-O 3.57Å; E133-F174 WeakPolarHBondContact CA-O 3.34Å; E133-F174 WeakPolarHBondContact CB-O 3.49Å
134W97.4Very high92.7Very high12 Ų1249 Ų495%0.04527%0.271CS..EExtended strand (participates in β ladder)trans-151.4132.6172.316556.4000110.7E115 P117 Q118 P136 K173 F174 M192 V194E115-W134 HydrophobicContact CB-CH2 4.12Å; E115-W134 HydrophobicContact CB-CZ2 3.9Å; P117-W134 VanDerWaalsContact CA-CE2 3.48Å; P117-W134 HydrophobicContact CB-CD2 3.57Å; P117-W134 HydrophobicContact CB-CE3 3.72Å; P117-W134 HydrophobicContact CB-CG 3.95Å; P117-W134 HydrophobicContact CB-CH2 4.37Å; P117-W134 HydrophobicContact CB-CZ2 4.28Å; P117-W134 HydrophobicContact CB-CZ3 4.15Å; P117-W134 HydrophobicContact CG-CD2 4.41Å; P117-W134 HydrophobicContact CG-CE3 4.16Å; P117-W134 HydrophobicContact CG-CH2 4.27Å; P117-W134 HydrophobicContact CG-CZ3 4.12Å; Q118-W134 VanDerWaalsContact O-CD1 3.24Å; W134-P136 HydrophobicContact CH2-CB 3.72Å; W134-P136 HydrophobicContact CZ2-CB 3.67Å; W134-P136 HydrophobicContact CZ3-CB 4.27Å; W134-K173 CarbonylContact O-C 3.56Å; W134-K173 WeakPolarHBondContact O-CA 3.45Å; W134-F174 AromaticContact CE3-CD2 3.7Å; W134-F174 HydrophobicContact CE3-CD2 3.7Å; W134-F174 HydrophobicContact CE3-CE2 4.41Å; W134-F174 AromaticContact CZ3-CD2 3.71Å; W134-F174 HydrophobicContact CZ3-CD2 3.71Å; W134-F174 AromaticContact CZ3-CE2 3.95Å; W134-F174 HydrophobicContact CZ3-CE2 3.95Å; W134-F174 PolarHBondContact N-O 3.08Å; W134-F174 PolarHBondContact O-N 2.68Å; W134-M192 HydrophobicContact CB-CE 4.19Å; W134-M192 HydrophobicContact CB-SD 3.74Å; W134-M192 HydrophobicContact CD2-SD 4.45Å; W134-M192 HydrophobicContact CE3-SD 3.92Å; W134-M192 HydrophobicContact CG-SD 4.43Å; W134-V194 HydrophobicContact CE3-CG2 3.98Å; W134-V194 HydrophobicContact CH2-CG2 4.47Å; W134-V194 HydrophobicContact CZ3-CB 4.31Å; W134-V194 HydrophobicContact CZ3-CG1 4.11Å; W134-V194 HydrophobicContact CZ3-CG2 3.59Å
135G96.4Very high92.5Very high35 Ų3552.8 Ų52.836%0.36129%0.287SS..  trans-98.5113.3171.100000111.5
136P95.1Very high92.6Very high18 Ų1853.1 Ų53.112%0.11729%0.289CS..  trans-64.5152.9169.728.1-34.7000110.9W134 S138 P140 Y167 Q172 F174W134-P136 HydrophobicContact CH2-CB 3.72Å; W134-P136 HydrophobicContact CZ2-CB 3.67Å; W134-P136 HydrophobicContact CZ3-CB 4.27Å; P136-S138 VanDerWaalsContact C-N 3.28Å; P136-S138 WeakPolarHBondContact CB-O 3.41Å; P136-S138 PolarHBondContact O-N 2.86Å; P136-P140 HydrophobicContact CG-CG 4.37Å; P136-Y167 HydrophobicContact CG-CE2 4.07Å; P136-Q172 WeakPolarHBondContact CD-O 3.2Å; P136-F174 HydrophobicContact CG-CE2 4.44Å
137R93.3Very high92.8Very high193 Ų19353.9 Ų53.973%0.72829%0.294SS*.SBendtrans-71.5-28.1178.7-68.7-179.5-67.5-81.9-5.6112.4E115E115-R137 WeakPolarHBondContact OE2-CB 2.95Å; E115-R137 IonicContact OE2-CZ 2.68Å; E115-R137 PolarHBondContact OE2-N 2.91Å; E115-R137 VanDerWaalsContact OE2-N 3.1Å; E115-R137 IonicContact OE2-NE 3.86Å; E115-R137 PolarHBondContact OE2-NE 3.4Å; E115-R137 IonicContact OE2-NH1 2.75Å; E115-R137 IonicContact OE2-NH2 3.59Å; E115-R137 PolarHBondContact OE2-NH2 2.94Å; E115-R137 VanDerWaalsContact OE2-NH2 3.11Å
138S89.6Confident93.2Very high76 Ų7649.7 Ų49.753%0.53127%0.272SS..SBendtrans-122.8148.7176-46.50000110.1E115 P136E115-S138 PolarHBondContact OE1-N 3.23Å; P136-S138 VanDerWaalsContact C-N 3.28Å; P136-S138 WeakPolarHBondContact CB-O 3.41Å; P136-S138 PolarHBondContact O-N 2.86Å
139T90.3Very high93.3Very high90 Ų9048.8 Ų48.855%0.55227%0.265SS*.PPolyproline II helixtrans-57.5122.2175-51.90000109.5Q172T139-Q172 PolarHBondContact OG1-OE1 2.96Å
140P90.4Very high93.3Very high29 Ų2946 Ų4619%0.18825%0.25CC..PPolyproline II helixtrans-70.6160.6-175.930.7-36.4000111.3P136 T144 Y167 F174P136-P140 HydrophobicContact CG-CG 4.37Å; P140-T144 HydrophobicContact CB-CG2 4.02Å; P140-Y167 VanDerWaalsContact CD-CZ 3.42Å; P140-Y167 WeakPolarHBondContact CD-OH 3.38Å; P140-Y167 HydrophobicContact CG-CD1 4.42Å; P140-Y167 HydrophobicContact CG-CD2 4Å; P140-Y167 HydrophobicContact CG-CE1 4.15Å; P140-Y167 HydrophobicContact CG-CE2 3.72Å; P140-Y167 HydrophobicContact CG-CG 4.34Å; P140-F174 HydrophobicContact CB-CE2 4.21Å; P140-F174 HydrophobicContact CB-CZ 4.24Å; P140-F174 HydrophobicContact CG-CE2 3.79Å; P140-F174 HydrophobicContact CG-CZ 3.82Å
141S85.9Confident93.2Very high32 Ų3248 Ų4822%0.22426%0.258CS..PPolyproline II helixtrans-62.2155.9172.580.30000110.9D111 T143 T144D111-S141 VanDerWaalsContact OD1-CB 3.26Å; D111-S141 WeakPolarHBondContact OD1-CB 2.95Å; D111-S141 PolarHBondContact OD1-OG 3.03Å; S141-T143 PolarHBondContact O-N 2.78Å; S141-T143 PolarHBondContact OG-N 2.84Å; S141-T143 PolarHBondContact OG-OG1 2.8Å; S141-T144 PolarHBondContact N-OG1 3.45Å; S141-T144 VanDerWaalsContact O-CB 3.31Å; S141-T144 WeakPolarHBondContact O-CB 3.32Å; S141-T144 PolarHBondContact O-N 3.18Å; S141-T144 PolarHBondContact O-OG1 3.5Å; S141-T144 PolarHBondContact OG-N 3.02Å; S141-T144 VanDerWaalsContact OG-N 3.12Å; S141-T144 PolarHBondContact OG-OG1 2.96Å
142L83.6Confident93.1Very high175 Ų17548 Ų4892%0.91625%0.254SS*.THydrogen-bonded Turntrans-63.8-20.5174.6-63.8174.6000112.9T144L142-T144 VanDerWaalsContact C-N 3.34Å
143T86.4Confident92.8Very high42 Ų4251.4 Ų51.426%0.25827%0.269SS..THydrogen-bonded Turntrans-87.5-3.7176.241.20000112.6Q28 L109 D111 S141Q28-T143 PolarHBondContact NE2-O 2.95Å; L109-T143 HydrophobicContact CD1-CG2 4.3Å; L109-T143 HydrophobicContact CD2-CG2 4.11Å; D111-T143 PolarHBondContact OD2-OG1 3.09Å; S141-T143 PolarHBondContact O-N 2.78Å; S141-T143 PolarHBondContact OG-N 2.84Å; S141-T143 PolarHBondContact OG-OG1 2.8Å
144T90.9Very high92.2Very high17 Ų1754.6 Ų54.610%0.10428%0.284CS..  trans-80.7122.1176.1-56.30000110.3P140 S141 L142 F174 V194 A195P140-T144 HydrophobicContact CB-CG2 4.02Å; S141-T144 PolarHBondContact N-OG1 3.45Å; S141-T144 VanDerWaalsContact O-CB 3.31Å; S141-T144 WeakPolarHBondContact O-CB 3.32Å; S141-T144 PolarHBondContact O-N 3.18Å; S141-T144 PolarHBondContact O-OG1 3.5Å; S141-T144 PolarHBondContact OG-N 3.02Å; S141-T144 VanDerWaalsContact OG-N 3.12Å; S141-T144 PolarHBondContact OG-OG1 2.96Å; L142-T144 VanDerWaalsContact C-N 3.34Å; T144-F174 HydrophobicContact CG2-CZ 4.03Å; T144-V194 HydrophobicContact CG2-CG1 3.41Å; T144-V194 VanDerWaalsContact CG2-CG1 3.41Å; T144-A195 CarbonylContact C-O 3.57Å; T144-A195 VanDerWaalsContact CA-O 3.32Å; T144-A195 WeakPolarHBondContact CA-O 3.32Å
145K92.3Very high91.2Very high129 Ų12962.2 Ų62.256%0.56133%0.326SS*.EExtended strand (participates in β ladder)trans-118.5152.1174.6-67.6-174.7-175.8175.10110.6V194 A195K145-V194 WeakPolarHBondContact O-CA 3.47Å; K145-A195 PolarHBondContact N-O 2.85Å; K145-A195 PolarHBondContact O-N 3.48Å
146A94.4Very high90.2Very high6 Ų663.5 Ų63.55%0.0533%0.33CS..EExtended strand (participates in β ladder)trans-127.4144.2176.900000111C165 F174 C193 V194A146-C165 HydrophobicContact CB-CB 3.77Å; A146-C165 WeakPolarHBondContact O-CB 3.34Å; A146-C165 PolarHBondContact O-N 2.81Å; A146-F174 HydrophobicContact CB-CB 4.24Å; A146-F174 HydrophobicContact CB-CD1 3.44Å; A146-F174 VanDerWaalsContact CB-CD1 3.44Å; A146-F174 HydrophobicContact CB-CD2 4.49Å; A146-F174 HydrophobicContact CB-CE1 3.81Å; A146-F174 HydrophobicContact CB-CG 3.81Å; A146-F174 HydrophobicContact CB-CZ 4.49Å; A146-C193 CarbonylContact C-O 3.5Å; A146-C193 WeakPolarHBondContact CA-O 3.36Å; A146-V194 HydrophobicContact CB-CG2 3.88Å
147V96.2Very high89.6Confident23 Ų2368.3 Ų68.314%0.13936%0.361CS..EExtended strand (participates in β ladder)trans-137.4146.7172.4-61.30000109.7P26 L149 C165 C193P26-V147 HydrophobicContact CG-CG1 4.12Å; P26-V147 HydrophobicContact CG-CG2 3.76Å; V147-L149 HydrophobicContact CG2-CD2 3.97Å; V147-C165 VanDerWaalsContact CA-SG 3.56Å; V147-C193 HydrophobicContact CG2-CB 3.79Å; V147-C193 PolarHBondContact N-O 2.98Å; V147-C193 PolarHBondContact O-N 2.86Å
148L97.3Very high89.3Confident0 Ų061.5 Ų61.50%035%0.346CS..EExtended strand (participates in β ladder)trans-93.1117.1173.1-167.572000108.3L119 C132 V150 Q162 E163 C165 C176 L178 V190 M192L119-L148 HydrophobicContact CD1-CD1 4.22Å; L119-L148 HydrophobicContact CD2-CD1 4.07Å; C132-L148 HydrophobicContact CB-CD1 3.87Å; C132-L148 HydrophobicContact CB-CD2 3.9Å; L148-V150 HydrophobicContact CD2-CG2 4Å; L148-V150 HydrophobicContact CG-CG2 4.06Å; L148-Q162 CarbonylContact O-C 3.59Å; L148-Q162 VanDerWaalsContact O-CA 3.27Å; L148-Q162 WeakPolarHBondContact O-CA 3.48Å; L148-E163 HydrophobicContact CB-CB 4.22Å; L148-E163 PolarHBondContact N-O 3.26Å; L148-E163 PolarHBondContact O-N 3.07Å; L148-C165 PolarHBondContact N-SG 2.92Å; L148-C165 VanDerWaalsContact N-SG 3.35Å; L148-C176 HydrophobicContact CB-CB 3.98Å; L148-C176 HydrophobicContact CD2-CB 4.37Å; L148-L178 HydrophobicContact CD2-CB 4.44Å; L148-V190 HydrophobicContact CD1-CB 4.17Å; L148-V190 HydrophobicContact CD2-CG1 4.41Å; L148-V190 HydrophobicContact CG-CB 4.36Å; L148-M192 HydrophobicContact CD1-CB 4.43Å
149L96.3Very high89.3Confident9 Ų963.3 Ų63.35%0.04735%0.346CS..EExtended strand (participates in β ladder)trans-85.7122.7173.9-53177.3000107.7P22 R23 V147 Q162 V190 S191 C193 F202P22-L149 HydrophobicContact CB-CB 4.09Å; P22-L149 HydrophobicContact CB-CD1 3.89Å; P22-L149 HydrophobicContact CG-CD1 4.31Å; R23-L149 WeakPolarHBondContact O-CD1 3.36Å; V147-L149 HydrophobicContact CG2-CD2 3.97Å; L149-Q162 HydrophobicContact CD2-CG 3.8Å; L149-V190 VanDerWaalsContact O-CA 3.28Å; L149-V190 WeakPolarHBondContact O-CA 3.47Å; L149-S191 WeakPolarHBondContact CB-O 3.49Å; L149-S191 PolarHBondContact N-O 3Å; L149-S191 PolarHBondContact O-N 2.92Å; L149-C193 HydrophobicContact CD1-CB 3.95Å; L149-C193 HydrophobicContact CD2-CB 4.5Å; L149-C193 HydrophobicContact CG-CB 4.11Å; L149-F202 HydrophobicContact CD1-CD1 3.85Å; L149-F202 HydrophobicContact CD1-CE1 3.66Å
150V95.6Very high89.4Confident4 Ų462 Ų622%0.02434%0.335CS..EExtended strand (participates in β ladder)trans-121.3128.8-174.5-173.50000109.1L148 D160 F161 L178 Y188 V190L148-V150 HydrophobicContact CD2-CG2 4Å; L148-V150 HydrophobicContact CG-CG2 4.06Å; V150-D160 WeakPolarHBondContact O-CA 3.46Å; V150-F161 HydrophobicContact CB-CD1 4.35Å; V150-F161 HydrophobicContact CB-CD2 4.14Å; V150-F161 HydrophobicContact CB-CE1 4.1Å; V150-F161 HydrophobicContact CB-CE2 3.87Å; V150-F161 HydrophobicContact CB-CG 4.37Å; V150-F161 HydrophobicContact CB-CZ 3.86Å; V150-F161 HydrophobicContact CG1-CD1 4.4Å; V150-F161 HydrophobicContact CG1-CE1 3.7Å; V150-F161 HydrophobicContact CG1-CE2 3.95Å; V150-F161 HydrophobicContact CG1-CZ 3.45Å; V150-F161 VanDerWaalsContact CG1-CZ 3.45Å; V150-F161 HydrophobicContact CG2-CD2 4.47Å; V150-F161 HydrophobicContact CG2-CE2 4.1Å; V150-F161 HydrophobicContact CG2-CZ 4.44Å; V150-F161 PolarHBondContact N-O 3.35Å; V150-F161 PolarHBondContact O-N 3.43Å; V150-L178 HydrophobicContact CG1-CD1 4.28Å; V150-L178 HydrophobicContact CG1-CD2 4.23Å; V150-L178 HydrophobicContact CG2-CD1 4.24Å; V150-L178 HydrophobicContact CG2-CD2 4.46Å; V150-Y188 HydrophobicContact CG1-CD1 3.84Å; V150-Y188 HydrophobicContact CG1-CE1 4.47Å; V150-V190 HydrophobicContact CB-CG1 4.49Å; V150-V190 HydrophobicContact CG1-CG1 4.17Å; V150-V190 HydrophobicContact CG2-CG1 4.13Å
151R94.1Very high89.5Confident43 Ų4363.4 Ų63.416%0.16234%0.339CS..EExtended strand (participates in β ladder)trans-118.4115.5167.9178.7172-68.5159.53109F153 A158 E159 D160 I189R151-F153 HydrophobicContact CB-CE2 4.3Å; R151-F153 HydrophobicContact CG-CD2 4.17Å; R151-F153 HydrophobicContact CG-CE2 3.45Å; R151-F153 VanDerWaalsContact CG-CE2 3.45Å; R151-F153 HydrophobicContact CG-CZ 3.69Å; R151-A158 HydrophobicContact CG-CB 4.19Å; R151-E159 WeakPolarHBondContact CA-O 3.36Å; R151-D160 WeakPolarHBondContact CB-OD1 3.48Å; R151-D160 WeakPolarHBondContact CD-OD1 3.22Å; R151-D160 WeakPolarHBondContact CG-OD1 3.25Å; R151-D160 IonicContact CZ-OD1 2.69Å; R151-D160 IonicContact CZ-OD2 3.94Å; R151-D160 IonicContact NE-OD1 2.82Å; R151-D160 PolarHBondContact NE-OD1 2.83Å; R151-D160 IonicContact NE-OD2 3.66Å; R151-D160 IonicContact NH2-OD1 3.11Å; R151-D160 IonicContact NH2-OD2 3.13Å; R151-D160 PolarHBondContact NH2-OD2 3.21Å; R151-I189 HydrophobicContact CB-CB 4.4Å; R151-I189 PolarHBondContact N-O 3.12Å; R151-I189 PolarHBondContact O-N 3.45Å
152K94.1Very high89.9Confident34 Ų3466.3 Ų66.315%0.14835%0.349CS..EExtended strand (participates in β ladder)trans-99.8131.2179.5179.8178.9179.6163.50110.3A158 E159 F161 D184 S186 Y188K152-A158 VanDerWaalsContact O-CA 3.29Å; K152-A158 WeakPolarHBondContact O-CA 3.24Å; K152-E159 PolarHBondContact N-O 3.25Å; K152-E159 PolarHBondContact O-N 3.4Å; K152-F161 HydrophobicContact CB-CE1 4.15Å; K152-D184 IonicContact NZ-OD2 2.96Å; K152-D184 PolarHBondContact NZ-OD2 3.08Å; K152-S186 WeakPolarHBondContact CE-OG 3.48Å; K152-Y188 HydrophobicContact CB-CD1 4.18Å; K152-Y188 HydrophobicContact CB-CE1 3.97Å; K152-Y188 HydrophobicContact CD-CE1 3.81Å; K152-Y188 VanDerWaalsContact CE-OH 3.27Å; K152-Y188 WeakPolarHBondContact CE-OH 3.44Å; K152-Y188 HydrophobicContact CG-CD1 4.32Å; K152-Y188 HydrophobicContact CG-CE1 3.79Å; K152-Y188 PolarHBondContact NZ-OH 3.01Å; K152-Y188 VanDerWaalsContact NZ-OH 3.1Å
153F91Very high90.5Very high72 Ų7260.5 Ų60.532%0.31632%0.317SS..EExtended strand (participates in β ladder)trans-113.3120.6174.8-63.1-95.5000109.7R151 A158 S186 F187 I189R151-F153 HydrophobicContact CB-CE2 4.3Å; R151-F153 HydrophobicContact CG-CD2 4.17Å; R151-F153 HydrophobicContact CG-CE2 3.45Å; R151-F153 VanDerWaalsContact CG-CE2 3.45Å; R151-F153 HydrophobicContact CG-CZ 3.69Å; F153-A158 HydrophobicContact CD1-CB 3.85Å; F153-A158 HydrophobicContact CE1-CB 3.77Å; F153-A158 HydrophobicContact CG-CB 4.49Å; F153-A158 HydrophobicContact CZ-CB 4.36Å; F153-S186 VanDerWaalsContact O-CA 3.32Å; F153-S186 WeakPolarHBondContact O-CA 3.19Å; F153-S186 VanDerWaalsContact O-CB 3.29Å; F153-S186 WeakPolarHBondContact O-CB 3.34Å; F153-F187 HydrophobicContact CB-CB 4.29Å; F153-F187 PolarHBondContact N-O 3.05Å; F153-F187 PolarHBondContact O-N 2.87Å; F153-I189 HydrophobicContact CD2-CD1 4.38Å; F153-I189 HydrophobicContact CD2-CG1 4.32Å; F153-I189 HydrophobicContact CE2-CB 4.38Å; F153-I189 HydrophobicContact CE2-CD1 3.43Å; F153-I189 VanDerWaalsContact CE2-CD1 3.43Å; F153-I189 HydrophobicContact CE2-CG1 3.7Å; F153-I189 HydrophobicContact CZ-CD1 3.95Å
154Q84.8Confident90.9Very high107 Ų10762.7 Ų62.750%0.533%0.332SS..SBendtrans-131.8-153.1176.2-155.4-174.39.600109.4S186Q154-S186 WeakPolarHBondContact CG-OG 3.38Å
155N77.3Confident91.2Very high172 Ų17262.6 Ų62.692%0.9233%0.332SS*.SBendtrans-76.1-14.3172.3-62.3-21000112.2
156S75.7Confident91.3Very high63 Ų6363.6 Ų63.644%0.44134%0.338SS..SBendtrans-92.3164.7172.946.10000111
157P82.8Confident91.4Very high119 Ų11965.9 Ų65.977%0.77335%0.346SS*.SBendtrans-52.5147.7169.322.5-34.7000111.4E159P157-E159 PolarHBondContact O-N 2.95Å
158A86.8Confident91.3Very high49 Ų4966.8 Ų66.841%0.40535%0.354SS..PPolyproline II helixtrans-56.7129.1-176.400000111.6R151 K152 F153R151-A158 HydrophobicContact CG-CB 4.19Å; K152-A158 VanDerWaalsContact O-CA 3.29Å; K152-A158 WeakPolarHBondContact O-CA 3.24Å; F153-A158 HydrophobicContact CD1-CB 3.85Å; F153-A158 HydrophobicContact CE1-CB 3.77Å; F153-A158 HydrophobicContact CG-CB 4.49Å; F153-A158 HydrophobicContact CZ-CB 4.36Å
159E90.2Very high91Very high114 Ų11472.6 Ų72.653%0.53338%0.381SS..EExtended strand (participates in β ladder)trans-99.7124.5-179.8-173.7178.7-161.100109.6R151 K152 P157 F161R151-E159 WeakPolarHBondContact CA-O 3.36Å; K152-E159 PolarHBondContact N-O 3.25Å; K152-E159 PolarHBondContact O-N 3.4Å; P157-E159 PolarHBondContact O-N 2.95Å; E159-F161 HydrophobicContact CG-CD1 4.3Å
160D91.8Very high90.9Very high62 Ų6281.2 Ų81.233%0.33242%0.421SS..EExtended strand (participates in β ladder)trans-104.8122.8177.1-77.70.5000109.3V150 R151V150-D160 WeakPolarHBondContact O-CA 3.46Å; R151-D160 WeakPolarHBondContact CB-OD1 3.48Å; R151-D160 WeakPolarHBondContact CD-OD1 3.22Å; R151-D160 WeakPolarHBondContact CG-OD1 3.25Å; R151-D160 IonicContact CZ-OD1 2.69Å; R151-D160 IonicContact CZ-OD2 3.94Å; R151-D160 IonicContact NE-OD1 2.82Å; R151-D160 PolarHBondContact NE-OD1 2.83Å; R151-D160 IonicContact NE-OD2 3.66Å; R151-D160 IonicContact NH2-OD1 3.11Å; R151-D160 IonicContact NH2-OD2 3.13Å; R151-D160 PolarHBondContact NH2-OD2 3.21Å
161F92.6Very high90.7Very high60 Ų6083.8 Ų83.826%0.26344%0.439SS..EExtended strand (participates in β ladder)trans-143.9177174.564.1-85.8000111.3V150 K152 E159 E163 L178V150-F161 HydrophobicContact CB-CD1 4.35Å; V150-F161 HydrophobicContact CB-CD2 4.14Å; V150-F161 HydrophobicContact CB-CE1 4.1Å; V150-F161 HydrophobicContact CB-CE2 3.87Å; V150-F161 HydrophobicContact CB-CG 4.37Å; V150-F161 HydrophobicContact CB-CZ 3.86Å; V150-F161 HydrophobicContact CG1-CD1 4.4Å; V150-F161 HydrophobicContact CG1-CE1 3.7Å; V150-F161 HydrophobicContact CG1-CE2 3.95Å; V150-F161 HydrophobicContact CG1-CZ 3.45Å; V150-F161 VanDerWaalsContact CG1-CZ 3.45Å; V150-F161 HydrophobicContact CG2-CD2 4.47Å; V150-F161 HydrophobicContact CG2-CE2 4.1Å; V150-F161 HydrophobicContact CG2-CZ 4.44Å; V150-F161 PolarHBondContact N-O 3.35Å; V150-F161 PolarHBondContact O-N 3.43Å; K152-F161 HydrophobicContact CB-CE1 4.15Å; E159-F161 HydrophobicContact CG-CD1 4.3Å; F161-E163 HydrophobicContact CE2-CG 4.26Å; F161-L178 HydrophobicContact CE2-CD1 3.63Å; F161-L178 HydrophobicContact CZ-CD1 3.72Å
162Q94.1Very high90.8Very high92 Ų9284.9 Ų84.943%0.4345%0.446SS..EExtended strand (participates in β ladder)trans-132.6142.3-176.8-55.8-173.77.300111L148 L149L148-Q162 CarbonylContact O-C 3.59Å; L148-Q162 VanDerWaalsContact O-CA 3.27Å; L148-Q162 WeakPolarHBondContact O-CA 3.48Å; L149-Q162 HydrophobicContact CD2-CG 3.8Å
163E95.8Very high90.9Very high54 Ų5486.5 Ų86.525%0.25245%0.453SS..EExtended strand (participates in β ladder)trans-113.7135.8171.2-67.1-64.3168.500110.7L148 F161 L178L148-E163 HydrophobicContact CB-CB 4.22Å; L148-E163 PolarHBondContact N-O 3.26Å; L148-E163 PolarHBondContact O-N 3.07Å; F161-E163 HydrophobicContact CE2-CG 4.26Å; E163-L178 HydrophobicContact CG-CD1 4.19Å
164P95.3Very high91.2Very high87 Ų8783.3 Ų83.357%0.56544%0.439SS*.EExtended strand (participates in β ladder)trans-71.5140.1178.530-33.4000110.9
165C96.2Very high91.8Very high16 Ų1680 Ų8011%0.10843%0.427CS..EExtended strand (participates in β ladder)trans-108.4139.6174.5-50.20000110.5A146 V147 L148 S175 C176A146-C165 HydrophobicContact CB-CB 3.77Å; A146-C165 WeakPolarHBondContact O-CB 3.34Å; A146-C165 PolarHBondContact O-N 2.81Å; V147-C165 VanDerWaalsContact CA-SG 3.56Å; L148-C165 PolarHBondContact N-SG 2.92Å; L148-C165 VanDerWaalsContact N-SG 3.35Å; C165-S175 CarbonylContact C-O 3.52Å; C165-S175 WeakPolarHBondContact CA-O 3.23Å; C165-C176 HydrophobicContact CB-CB 3.88Å; C165-C176 WeakPolarHBondContact CB-SG 3.29Å; C165-C176 WeakPolarHBondContact SG-CB 3.3Å; C165-C176 CovalentContact SG-SG 2.02Å; C165-C176 PolarHBondContact SG-SG 3.28Å
166Q95.5Very high92.7Very high150 Ų15071.8 Ų71.870%0.70138%0.384SS*.EExtended strand (participates in β ladder)trans-109.1137.7-179.7-62.2168.921.300109.4F174 S175Q166-F174 CarbonylContact O-C 3.55Å; Q166-F174 WeakPolarHBondContact O-CA 3.36Å; Q166-S175 PolarHBondContact N-O 2.91Å; Q166-S175 PolarHBondContact O-N 2.83Å
167Y95.3Very high93.7Very high53 Ų5374.3 Ų74.321%0.20839%0.388CS..EExtended strand (participates in β ladder)trans-89.1118.9173.2-171.4-107.4000109.8P136 P140 Q172 K173 F174P136-Y167 HydrophobicContact CG-CE2 4.07Å; P140-Y167 VanDerWaalsContact CD-CZ 3.42Å; P140-Y167 WeakPolarHBondContact CD-OH 3.38Å; P140-Y167 HydrophobicContact CG-CD1 4.42Å; P140-Y167 HydrophobicContact CG-CD2 4Å; P140-Y167 HydrophobicContact CG-CE1 4.15Å; P140-Y167 HydrophobicContact CG-CE2 3.72Å; P140-Y167 HydrophobicContact CG-CG 4.34Å; Y167-Q172 VanDerWaalsContact OH-CD 3.28Å; Y167-Q172 PolarHBondContact OH-OE1 3.29Å; Y167-K173 WeakPolarHBondContact CA-O 3.26Å; Y167-F174 HydrophobicContact CD2-CD1 4.01Å; Y167-F174 AromaticContact CD2-CD2 3.76Å; Y167-F174 HydrophobicContact CD2-CD2 3.76Å; Y167-F174 AromaticContact CD2-CE1 3.96Å; Y167-F174 HydrophobicContact CD2-CE1 3.96Å; Y167-F174 AromaticContact CD2-CE2 3.7Å; Y167-F174 HydrophobicContact CD2-CE2 3.7Å; Y167-F174 AromaticContact CD2-CG 3.92Å; Y167-F174 HydrophobicContact CD2-CG 3.92Å; Y167-F174 AromaticContact CD2-CZ 3.79Å; Y167-F174 HydrophobicContact CD2-CZ 3.79Å; Y167-F174 HydrophobicContact CE2-CD2 4.3Å; Y167-F174 HydrophobicContact CE2-CE2 4.19Å; Y167-F174 HydrophobicContact CG-CD1 4.41Å; Y167-F174 HydrophobicContact CG-CE1 4.16Å; Y167-F174 HydrophobicContact CG-CZ 4.22Å
168S94.5Very high94.4Very high43 Ų4368.7 Ų68.730%0.30135%0.352SS..EExtended strand (participates in β ladder)trans-94.6126.3174.41750000110.4E170 S171 Q172 K173S168-E170 VanDerWaalsContact C-N 3.3Å; S168-E170 PolarHBondContact OG-N 3.42Å; S168-S171 WeakPolarHBondContact CB-OG 3.16Å; S168-Q172 VanDerWaalsContact O-CA 3.24Å; S168-Q172 WeakPolarHBondContact O-CA 3.44Å; S168-Q172 PolarHBondContact O-N 3.27Å; S168-K173 PolarHBondContact N-O 2.96Å; S168-K173 PolarHBondContact O-N 3.25Å
169Q91.8Very high94.8Very high122 Ų12269.4 Ų69.457%0.5736%0.358SS*.THydrogen-bonded Turntrans-69.3-29.9175.6-67.5-65.1-2600112.1Q172Q169-Q172 PolarHBondContact O-NE2 3.25Å
170E93.1Very high94.9Very high189 Ų18964.3 Ų64.388%0.88334%0.335SS*.THydrogen-bonded Turntrans-70.5-46.8-178.9-65.4178.2-178.500111.8S168S168-E170 VanDerWaalsContact C-N 3.3Å; S168-E170 PolarHBondContact OG-N 3.42Å
171S92Very high94.9Very high59 Ų5964.9 Ų64.941%0.41334%0.342SS..THydrogen-bonded Turntrans-89.9-9.6179.764.40000113.4S168 K173S168-S171 WeakPolarHBondContact CB-OG 3.16Å; S171-K173 WeakPolarHBondContact O-CG 3.42Å; S171-K173 PolarHBondContact O-N 3.35Å
172Q95.7Very high94.6Very high66 Ų6666.7 Ų66.731%0.30835%0.351SS..THydrogen-bonded Turntrans5236.3-171.2-67.5-71.9-70.300112.5P136 T139 Y167 S168 Q169P136-Q172 WeakPolarHBondContact CD-O 3.2Å; T139-Q172 PolarHBondContact OG1-OE1 2.96Å; Y167-Q172 VanDerWaalsContact OH-CD 3.28Å; Y167-Q172 PolarHBondContact OH-OE1 3.29Å; S168-Q172 VanDerWaalsContact O-CA 3.24Å; S168-Q172 WeakPolarHBondContact O-CA 3.44Å; S168-Q172 PolarHBondContact O-N 3.27Å; Q169-Q172 PolarHBondContact O-NE2 3.25Å
173K96.8Very high94.1Very high68 Ų6865.6 Ų65.630%0.29636%0.364SS..EExtended strand (participates in β ladder)trans-127.8148.4-176-70.3172.1-178.9-174.50112.3E133 W134 Y167 S168 S171E133-K173 IonicContact OE1-NZ 3.51Å; E133-K173 PolarHBondContact OE1-NZ 2.98Å; E133-K173 IonicContact OE2-NZ 3.63Å; W134-K173 CarbonylContact O-C 3.56Å; W134-K173 WeakPolarHBondContact O-CA 3.45Å; Y167-K173 WeakPolarHBondContact CA-O 3.26Å; S168-K173 PolarHBondContact N-O 2.96Å; S168-K173 PolarHBondContact O-N 3.25Å; S171-K173 WeakPolarHBondContact O-CG 3.42Å; S171-K173 PolarHBondContact O-N 3.35Å
174F96.8Very high93.7Very high5 Ų563.5 Ų63.52%0.02236%0.355CS..EExtended strand (participates in β ladder)trans-79.8132.3158.4-72.8-79.8000109.1E133 W134 P136 P140 T144 A146 Q166 Y167 M192E133-F174 CarbonylContact C-O 3.57Å; E133-F174 WeakPolarHBondContact CA-O 3.34Å; E133-F174 WeakPolarHBondContact CB-O 3.49Å; W134-F174 AromaticContact CE3-CD2 3.7Å; W134-F174 HydrophobicContact CE3-CD2 3.7Å; W134-F174 HydrophobicContact CE3-CE2 4.41Å; W134-F174 AromaticContact CZ3-CD2 3.71Å; W134-F174 HydrophobicContact CZ3-CD2 3.71Å; W134-F174 AromaticContact CZ3-CE2 3.95Å; W134-F174 HydrophobicContact CZ3-CE2 3.95Å; W134-F174 PolarHBondContact N-O 3.08Å; W134-F174 PolarHBondContact O-N 2.68Å; P136-F174 HydrophobicContact CG-CE2 4.44Å; P140-F174 HydrophobicContact CB-CE2 4.21Å; P140-F174 HydrophobicContact CB-CZ 4.24Å; P140-F174 HydrophobicContact CG-CE2 3.79Å; P140-F174 HydrophobicContact CG-CZ 3.82Å; T144-F174 HydrophobicContact CG2-CZ 4.03Å; A146-F174 HydrophobicContact CB-CB 4.24Å; A146-F174 HydrophobicContact CB-CD1 3.44Å; A146-F174 VanDerWaalsContact CB-CD1 3.44Å; A146-F174 HydrophobicContact CB-CD2 4.49Å; A146-F174 HydrophobicContact CB-CE1 3.81Å; A146-F174 HydrophobicContact CB-CG 3.81Å; A146-F174 HydrophobicContact CB-CZ 4.49Å; Q166-F174 CarbonylContact O-C 3.55Å; Q166-F174 WeakPolarHBondContact O-CA 3.36Å; Y167-F174 HydrophobicContact CD2-CD1 4.01Å; Y167-F174 AromaticContact CD2-CD2 3.76Å; Y167-F174 HydrophobicContact CD2-CD2 3.76Å; Y167-F174 AromaticContact CD2-CE1 3.96Å; Y167-F174 HydrophobicContact CD2-CE1 3.96Å; Y167-F174 AromaticContact CD2-CE2 3.7Å; Y167-F174 HydrophobicContact CD2-CE2 3.7Å; Y167-F174 AromaticContact CD2-CG 3.92Å; Y167-F174 HydrophobicContact CD2-CG 3.92Å; Y167-F174 AromaticContact CD2-CZ 3.79Å; Y167-F174 HydrophobicContact CD2-CZ 3.79Å; Y167-F174 HydrophobicContact CE2-CD2 4.3Å; Y167-F174 HydrophobicContact CE2-CE2 4.19Å; Y167-F174 HydrophobicContact CG-CD1 4.41Å; Y167-F174 HydrophobicContact CG-CE1 4.16Å; Y167-F174 HydrophobicContact CG-CZ 4.22Å; F174-M192 HydrophobicContact CB-CE 4.27Å; F174-M192 HydrophobicContact CB-SD 4.32Å
175S97.4Very high93.4Very high36 Ų3663 Ų6325%0.25235%0.353SS..EExtended strand (participates in β ladder)trans-134.8132179.6176.60000110.4C165 Q166C165-S175 CarbonylContact C-O 3.52Å; C165-S175 WeakPolarHBondContact CA-O 3.23Å; Q166-S175 PolarHBondContact N-O 2.91Å; Q166-S175 PolarHBondContact O-N 2.83Å
176C97.4Very high93.2Very high1 Ų162.4 Ų62.41%0.00735%0.349CS..EExtended strand (participates in β ladder)trans-125.3147.6177.2-13.20000108.9C132 L148 C165 M192C132-C176 PolarHBondContact N-O 3.3Å; C132-C176 PolarHBondContact O-N 2.89Å; L148-C176 HydrophobicContact CB-CB 3.98Å; L148-C176 HydrophobicContact CD2-CB 4.37Å; C165-C176 HydrophobicContact CB-CB 3.88Å; C165-C176 WeakPolarHBondContact CB-SG 3.29Å; C165-C176 WeakPolarHBondContact SG-CB 3.3Å; C165-C176 CovalentContact SG-SG 2.02Å; C165-C176 PolarHBondContact SG-SG 3.28Å; C176-M192 VanDerWaalsContact SG-CE 3.53Å
177Q97.1Very high93.1Very high115 Ų11560.4 Ų60.454%0.53734%0.338SS..EExtended strand (participates in β ladder)trans-112.4130.1177.6-61.7-172.12000109.4N129 V130N129-Q177 HydrophobicContact CB-CB 4.22Å; N129-Q177 PolarHBondContact ND2-OE1 3.36Å; V130-Q177 WeakPolarHBondContact O-CA 3.41Å
178L96.7Very high93.1Very high1 Ų158 Ų581%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-116118.1174.7172.263.9000108.8V130 L148 V150 F161 E163 V180 Y188 V190 F208V130-L178 HydrophobicContact CB-CB 4.24Å; V130-L178 PolarHBondContact N-O 3.11Å; V130-L178 PolarHBondContact O-N 3.39Å; L148-L178 HydrophobicContact CD2-CB 4.44Å; V150-L178 HydrophobicContact CG1-CD1 4.28Å; V150-L178 HydrophobicContact CG1-CD2 4.23Å; V150-L178 HydrophobicContact CG2-CD1 4.24Å; V150-L178 HydrophobicContact CG2-CD2 4.46Å; F161-L178 HydrophobicContact CE2-CD1 3.63Å; F161-L178 HydrophobicContact CZ-CD1 3.72Å; E163-L178 HydrophobicContact CG-CD1 4.19Å; L178-V180 HydrophobicContact CD2-CG2 4.18Å; L178-V180 HydrophobicContact CG-CG2 3.99Å; L178-V180 PolarHBondContact O-N 2.93Å; L178-Y188 HydrophobicContact CD2-CD1 4.02Å; L178-Y188 HydrophobicContact CD2-CE1 4.4Å; L178-V190 HydrophobicContact CD2-CG1 4.3Å; L178-F208 HydrophobicContact CD2-CZ 4.08Å
179A95.3Very high93.2Very high65 Ų6557.7 Ų57.754%0.53732%0.323SS..  trans-75.3117.1175.900000109.9
180V93Very high93.4Very high7 Ų751.9 Ų51.94%0.04230%0.297CS..  trans-120.6115.1175.9179.10000108.4R123 V130 L178 D184 Y188R123-V180 PolarHBondContact NH1-O 3.18Å; R123-V180 PolarHBondContact NH2-O 3Å; V130-V180 HydrophobicContact CB-CG2 4.49Å; V130-V180 HydrophobicContact CG2-CB 4.22Å; V130-V180 HydrophobicContact CG2-CG2 3.65Å; L178-V180 HydrophobicContact CD2-CG2 4.18Å; L178-V180 HydrophobicContact CG-CG2 3.99Å; L178-V180 PolarHBondContact O-N 2.93Å; V180-D184 HydrophobicContact CG1-CB 3.88Å; V180-Y188 HydrophobicContact CG1-CE2 4.09Å; V180-Y188 HydrophobicContact CG2-CE2 4.25Å
181P89.9Confident93.6Very high74 Ų7443 Ų4348%0.48126%0.255SS..  trans-62.6156.6-177.620.1-24.6000111.8D184P181-D184 WeakPolarHBondContact CD-OD2 3.33Å; P181-D184 HydrophobicContact CG-CB 3.94Å; P181-D184 VanDerWaalsContact O-CB 3.26Å; P181-D184 WeakPolarHBondContact O-CB 3.41Å; P181-D184 PolarHBondContact O-N 3.41Å
182E87.2Confident93.8Very high98 Ų9840.2 Ų40.246%0.45824%0.236SC..THydrogen-bonded Turntrans-63.7140.7175.5-62.9-168.7133.100110.9L127 D184 Y249L127-E182 VanDerWaalsContact CD2-CD 3.5Å; L127-E182 HydrophobicContact CD2-CG 4.22Å; L127-E182 WeakPolarHBondContact CD2-OE1 3.37Å; E182-D184 PolarHBondContact O-N 3.18Å; E182-Y249 WeakPolarHBondContact OE1-CE2 3.11Å; E182-Y249 PolarHBondContact OE1-OH 2.86Å; E182-Y249 PolarHBondContact OE2-OH 2.85Å
183G83.2Confident93.8Very high68 Ų6837.1 Ų37.170%0.70122%0.221SC*.THydrogen-bonded Turntrans708.4-177.400000114.7S185G183-S185 PolarHBondContact O-N 2.82Å; G183-S185 VanDerWaalsContact O-N 3.09Å
184D88.8Confident93.7Very high11 Ų1133.9 Ų33.96%0.05921%0.207CC..  trans-66.8110.1177.7-164.2-8.9000111.3K152 V180 P181 E182 S186 Y188 G210 C211K152-D184 IonicContact NZ-OD2 2.96Å; K152-D184 PolarHBondContact NZ-OD2 3.08Å; V180-D184 HydrophobicContact CG1-CB 3.88Å; P181-D184 WeakPolarHBondContact CD-OD2 3.33Å; P181-D184 HydrophobicContact CG-CB 3.94Å; P181-D184 VanDerWaalsContact O-CB 3.26Å; P181-D184 WeakPolarHBondContact O-CB 3.41Å; P181-D184 PolarHBondContact O-N 3.41Å; E182-D184 PolarHBondContact O-N 3.18Å; D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 WeakPolarHBondContact OD1-CB 3.47Å; D184-S186 PolarHBondContact OD1-N 3.24Å; D184-S186 PolarHBondContact OD1-OG 2.89Å; D184-Y188 PolarHBondContact OD2-OH 2.73Å; D184-G210 CarbonylContact O-C 3.53Å; D184-G210 WeakPolarHBondContact O-CA 3.26Å; D184-C211 PolarHBondContact O-N 2.93Å
185S88.3Confident93.5Very high76 Ų7633.9 Ų33.953%0.53121%0.208SC..  trans-88.12.4176.4600000113.4G183 Q209G183-S185 PolarHBondContact O-N 2.82Å; G183-S185 VanDerWaalsContact O-N 3.09Å; S185-Q209 PolarHBondContact O-NE2 3.32Å
186S92.2Very high93.2Very high3 Ų332.4 Ų32.42%0.02120%0.198CC..  trans-62.3148.8177.2-52.80000111.5K152 F153 Q154 D184 G210K152-S186 WeakPolarHBondContact CE-OG 3.48Å; F153-S186 VanDerWaalsContact O-CA 3.32Å; F153-S186 WeakPolarHBondContact O-CA 3.19Å; F153-S186 VanDerWaalsContact O-CB 3.29Å; F153-S186 WeakPolarHBondContact O-CB 3.34Å; Q154-S186 WeakPolarHBondContact CG-OG 3.38Å; D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 WeakPolarHBondContact OD1-CB 3.47Å; D184-S186 PolarHBondContact OD1-N 3.24Å; D184-S186 PolarHBondContact OD1-OG 2.89Å; S186-G210 PolarHBondContact O-N 3Å
187F93.6Very high92.7Very high108 Ų10833.2 Ų33.247%0.47420%0.203SC..EExtended strand (participates in β ladder)trans-93.1134.7170.5-74.1-88.1000110.1F153 Q209F153-F187 HydrophobicContact CB-CB 4.29Å; F153-F187 PolarHBondContact N-O 3.05Å; F153-F187 PolarHBondContact O-N 2.87Å; F187-Q209 HydrophobicContact CD1-CB 4.28Å; F187-Q209 HydrophobicContact CE1-CB 4.06Å; F187-Q209 HydrophobicContact CE1-CG 4.42Å; F187-Q209 HydrophobicContact CZ-CG 4.44Å
188Y95Very high92.2Very high3 Ų329.7 Ų29.71%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-113.6129.5177.7-68.1-94.4000108.8V150 K152 L178 V180 D184 T207 F208V150-Y188 HydrophobicContact CG1-CD1 3.84Å; V150-Y188 HydrophobicContact CG1-CE1 4.47Å; K152-Y188 HydrophobicContact CB-CD1 4.18Å; K152-Y188 HydrophobicContact CB-CE1 3.97Å; K152-Y188 HydrophobicContact CD-CE1 3.81Å; K152-Y188 VanDerWaalsContact CE-OH 3.27Å; K152-Y188 WeakPolarHBondContact CE-OH 3.44Å; K152-Y188 HydrophobicContact CG-CD1 4.32Å; K152-Y188 HydrophobicContact CG-CE1 3.79Å; K152-Y188 PolarHBondContact NZ-OH 3.01Å; K152-Y188 VanDerWaalsContact NZ-OH 3.1Å; L178-Y188 HydrophobicContact CD2-CD1 4.02Å; L178-Y188 HydrophobicContact CD2-CE1 4.4Å; V180-Y188 HydrophobicContact CG1-CE2 4.09Å; V180-Y188 HydrophobicContact CG2-CE2 4.25Å; D184-Y188 PolarHBondContact OD2-OH 2.73Å; Y188-T207 VanDerWaalsContact O-CA 3.28Å; Y188-T207 WeakPolarHBondContact O-CA 3.45Å; Y188-F208 HydrophobicContact CD2-CD2 4.48Å; Y188-F208 HydrophobicContact CD2-CE2 4.06Å; Y188-F208 HydrophobicContact CG-CE2 4.05Å; Y188-F208 HydrophobicContact CG-CZ 4.36Å; Y188-F208 PolarHBondContact N-O 3.47Å; Y188-F208 PolarHBondContact O-N 3.36Å
189I95.6Very high91.8Very high36 Ų3631 Ų3119%0.18520%0.204CC..EExtended strand (participates in β ladder)trans-109.2119.2165.7-57.9-176.5000106.9R151 F153 T205 T207R151-I189 HydrophobicContact CB-CB 4.4Å; R151-I189 PolarHBondContact N-O 3.12Å; R151-I189 PolarHBondContact O-N 3.45Å; F153-I189 HydrophobicContact CD2-CD1 4.38Å; F153-I189 HydrophobicContact CD2-CG1 4.32Å; F153-I189 HydrophobicContact CE2-CB 4.38Å; F153-I189 HydrophobicContact CE2-CD1 3.43Å; F153-I189 VanDerWaalsContact CE2-CD1 3.43Å; F153-I189 HydrophobicContact CE2-CG1 3.7Å; F153-I189 HydrophobicContact CZ-CD1 3.95Å; I189-T205 HydrophobicContact CG2-CG2 4Å; I189-T207 HydrophobicContact CG1-CG2 4.05Å
190V96.5Very high91.6Very high1 Ų130.7 Ų30.71%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-119.8145-178.4-59.50000111.7L119 L148 L149 V150 L178 T205 Q206 F208L119-V190 HydrophobicContact CD2-CG2 3.95Å; L148-V190 HydrophobicContact CD1-CB 4.17Å; L148-V190 HydrophobicContact CD2-CG1 4.41Å; L148-V190 HydrophobicContact CG-CB 4.36Å; L149-V190 VanDerWaalsContact O-CA 3.28Å; L149-V190 WeakPolarHBondContact O-CA 3.47Å; V150-V190 HydrophobicContact CB-CG1 4.49Å; V150-V190 HydrophobicContact CG1-CG1 4.17Å; V150-V190 HydrophobicContact CG2-CG1 4.13Å; L178-V190 HydrophobicContact CD2-CG1 4.3Å; V190-T205 CarbonylContact O-C 3.48Å; V190-T205 VanDerWaalsContact O-CA 3.31Å; V190-T205 WeakPolarHBondContact O-CA 3.23Å; V190-Q206 HydrophobicContact CG2-CB 4.03Å; V190-Q206 WeakPolarHBondContact CG2-O 3.37Å; V190-Q206 PolarHBondContact N-O 2.04Å; V190-Q206 PolarHBondContact O-N 2.96Å; V190-F208 HydrophobicContact CG1-CE1 4.1Å; V190-F208 HydrophobicContact CG1-CZ 4.33Å; V190-F208 HydrophobicContact CG2-CE1 3.84Å
191S96.8Very high91.7Very high2 Ų235 Ų351%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-145133.6172.1176.80000109.2L149 S203L149-S191 WeakPolarHBondContact CB-O 3.49Å; L149-S191 PolarHBondContact N-O 3Å; L149-S191 PolarHBondContact O-N 2.92Å; S191-S203 PolarHBondContact OG-O 3.11Å; S191-S203 PolarHBondContact OG-OG 3.2Å
192M96.8Very high91.9Very high0 Ų035.1 Ų35.10%021%0.209CC..EExtended strand (participates in β ladder)trans-86.7123176.5-177.9-179.9-79.100109.2P117 L119 W134 L148 F174 C176 V194 F202 S203P117-M192 HydrophobicContact CB-CB 4.46Å; P117-M192 HydrophobicContact CB-CG 4.45Å; P117-M192 HydrophobicContact CB-SD 4.2Å; L119-M192 HydrophobicContact CD1-CB 3.82Å; L119-M192 HydrophobicContact CD1-CE 3.72Å; L119-M192 HydrophobicContact CD1-SD 4.41Å; L119-M192 HydrophobicContact CD2-CB 4.34Å; L119-M192 HydrophobicContact CG-CB 4.5Å; W134-M192 HydrophobicContact CB-CE 4.19Å; W134-M192 HydrophobicContact CB-SD 3.74Å; W134-M192 HydrophobicContact CD2-SD 4.45Å; W134-M192 HydrophobicContact CE3-SD 3.92Å; W134-M192 HydrophobicContact CG-SD 4.43Å; L148-M192 HydrophobicContact CD1-CB 4.43Å; F174-M192 HydrophobicContact CB-CE 4.27Å; F174-M192 HydrophobicContact CB-SD 4.32Å; C176-M192 VanDerWaalsContact SG-CE 3.53Å; M192-V194 HydrophobicContact CG-CG2 4.02Å; M192-V194 HydrophobicContact SD-CG2 4.2Å; M192-F202 CarbonylContact O-C 3.56Å; M192-F202 WeakPolarHBondContact O-CA 3.26Å; M192-S203 PolarHBondContact N-OG 3.22Å; M192-S203 PolarHBondContact O-N 3.38Å
193C95.3Very high92.3Very high1 Ų130.9 Ų30.91%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-95.2132.6169.8159.90000109.3C25 A146 V147 L149 F202C25-C193 WeakPolarHBondContact CA-SG 3.35Å; C25-C193 HydrophobicContact CB-CB 4.17Å; C25-C193 WeakPolarHBondContact CB-SG 3.46Å; C25-C193 WeakPolarHBondContact SG-CB 3.34Å; C25-C193 CovalentContact SG-SG 1.99Å; C25-C193 PolarHBondContact SG-SG 2.91Å; A146-C193 CarbonylContact C-O 3.5Å; A146-C193 WeakPolarHBondContact CA-O 3.36Å; V147-C193 HydrophobicContact CG2-CB 3.79Å; V147-C193 PolarHBondContact N-O 2.98Å; V147-C193 PolarHBondContact O-N 2.86Å; L149-C193 HydrophobicContact CD1-CB 3.95Å; L149-C193 HydrophobicContact CD2-CB 4.5Å; L149-C193 HydrophobicContact CG-CB 4.11Å; C193-F202 HydrophobicContact CB-CD1 4.08Å; C193-F202 HydrophobicContact CB-CE1 4.15Å
194V94.7Very high92.9Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-126.7126.7173.4-176.80000108.8P114 P117 W134 T144 K145 A146 M192 S200 K201P114-V194 HydrophobicContact CB-CB 4.27Å; P114-V194 HydrophobicContact CB-CG1 3.74Å; P114-V194 WeakPolarHBondContact CG-O 3.32Å; P117-V194 HydrophobicContact CB-CG2 4.26Å; P117-V194 HydrophobicContact CG-CB 4Å; P117-V194 HydrophobicContact CG-CG2 3.4Å; W134-V194 HydrophobicContact CE3-CG2 3.98Å; W134-V194 HydrophobicContact CH2-CG2 4.47Å; W134-V194 HydrophobicContact CZ3-CB 4.31Å; W134-V194 HydrophobicContact CZ3-CG1 4.11Å; W134-V194 HydrophobicContact CZ3-CG2 3.59Å; T144-V194 HydrophobicContact CG2-CG1 3.41Å; T144-V194 VanDerWaalsContact CG2-CG1 3.41Å; K145-V194 WeakPolarHBondContact O-CA 3.47Å; A146-V194 HydrophobicContact CB-CG2 3.88Å; M192-V194 HydrophobicContact CG-CG2 4.02Å; M192-V194 HydrophobicContact SD-CG2 4.2Å; V194-S200 CarbonylContact O-C 3.58Å; V194-S200 VanDerWaalsContact O-CA 3.26Å; V194-S200 WeakPolarHBondContact O-CA 3.33Å; V194-K201 PolarHBondContact N-O 3.39Å; V194-K201 PolarHBondContact O-N 2.89Å
195A92.7Very high93.2Very high5 Ų538.2 Ų38.24%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-130.6138.3-175.500000111.3T144 K145T144-A195 CarbonylContact C-O 3.57Å; T144-A195 VanDerWaalsContact CA-O 3.32Å; T144-A195 WeakPolarHBondContact CA-O 3.32Å; K145-A195 PolarHBondContact N-O 2.85Å; K145-A195 PolarHBondContact O-N 3.48Å
196S90.8Very high93.5Very high5 Ų537.7 Ų37.74%0.03520%0.198CC..EExtended strand (participates in β ladder)trans-114.9-178.4169.969.90000109.1Q28 V112 P114 V198 G199Q28-S196 WeakPolarHBondContact CB-O 3.31Å; V112-S196 PolarHBondContact O-OG 2.92Å; P114-S196 WeakPolarHBondContact CD-OG 3.37Å; S196-V198 PolarHBondContact O-N 3.13Å; S196-V198 WeakPolarHBondContact OG-CG2 3.47Å; S196-V198 PolarHBondContact OG-N 2.73Å; S196-G199 PolarHBondContact N-O 3.27Å; S196-G199 PolarHBondContact OG-N 2.94Å; S196-G199 PolarHBondContact OG-O 3.36Å; S196-G199 VanDerWaalsContact OG-O 3.11Å
197S86.9Confident93.6Very high18 Ų1841.5 Ų41.513%0.12622%0.221CC..THydrogen-bonded Turntrans-69.8-15.7174.265.20000114.1L109 D111L109-S197 WeakPolarHBondContact CD2-OG 3.31Å; D111-S197 WeakPolarHBondContact CB-OG 3.47Å; D111-S197 VanDerWaalsContact CG-OG 3.29Å; D111-S197 WeakPolarHBondContact OD2-CB 3.36Å; D111-S197 PolarHBondContact OD2-N 2.92Å; D111-S197 PolarHBondContact OD2-OG 3.24Å
198V86.6Confident93.6Very high41 Ų4137.2 Ų37.225%0.24820%0.202CC..THydrogen-bonded Turntrans-115.62.5-174.3-66.60000113.7L38 D111 P113 S196L38-V198 HydrophobicContact CD2-CB 4.03Å; L38-V198 HydrophobicContact CD2-CG1 4.3Å; L38-V198 HydrophobicContact CD2-CG2 3.95Å; D111-V198 HydrophobicContact CB-CG1 4.03Å; D111-V198 HydrophobicContact CB-CG2 3.99Å; P113-V198 HydrophobicContact CG-CG2 4.03Å; S196-V198 PolarHBondContact O-N 3.13Å; S196-V198 WeakPolarHBondContact OG-CG2 3.47Å; S196-V198 PolarHBondContact OG-N 2.73Å
199G88.4Confident93.5Very high30 Ų3040.3 Ų40.331%0.30922%0.217SC..EExtended strand (participates in β ladder)trans164.9173.6176.200000114.8P114 S196P114-G199 VanDerWaalsContact CD-O 3.31Å; P114-G199 WeakPolarHBondContact CD-O 3.26Å; P114-G199 WeakPolarHBondContact CG-O 3.37Å; S196-G199 PolarHBondContact N-O 3.27Å; S196-G199 PolarHBondContact OG-N 2.94Å; S196-G199 PolarHBondContact OG-O 3.36Å; S196-G199 VanDerWaalsContact OG-O 3.11Å
200S92.3Very high93.2Very high57 Ų5738.6 Ų38.640%0.39921%0.208SC..EExtended strand (participates in β ladder)trans-137.7147.5179.861.80000112.3V194V194-S200 CarbonylContact O-C 3.58Å; V194-S200 VanDerWaalsContact O-CA 3.26Å; V194-S200 WeakPolarHBondContact O-CA 3.33Å
201K93.4Very high92.7Very high99 Ų9940 Ų4043%0.4322%0.218SC..EExtended strand (participates in β ladder)trans-133156.1173.1-71.6-64.3-174.7171.30111P114 V194P114-K201 HydrophobicContact CG-CB 4.34Å; P114-K201 HydrophobicContact CG-CG 4.25Å; P114-K201 VanDerWaalsContact O-CG 3.26Å; P114-K201 WeakPolarHBondContact O-CG 3.31Å; V194-K201 PolarHBondContact N-O 3.39Å; V194-K201 PolarHBondContact O-N 2.89Å
202F94.4Very high92.4Very high75 Ų7541.4 Ų41.433%0.32923%0.232SC..EExtended strand (participates in β ladder)trans-123.3144.5179.3-59.6-99.3000109.2C25 L149 M192 C193C25-F202 HydrophobicContact CB-CE1 3.94Å; C25-F202 HydrophobicContact CB-CE2 4.37Å; C25-F202 HydrophobicContact CB-CZ 3.59Å; C25-F202 WeakPolarHBondContact SG-CE1 3.29Å; C25-F202 WeakPolarHBondContact SG-CZ 3.45Å; L149-F202 HydrophobicContact CD1-CD1 3.85Å; L149-F202 HydrophobicContact CD1-CE1 3.66Å; M192-F202 CarbonylContact O-C 3.56Å; M192-F202 WeakPolarHBondContact O-CA 3.26Å; C193-F202 HydrophobicContact CB-CD1 4.08Å; C193-F202 HydrophobicContact CB-CE1 4.15Å
203S96.6Very high92.3Very high9 Ų942.3 Ų42.36%0.06324%0.237CC..PPolyproline II helixtrans-72.1163.6168.574.50000111P117 S191 M192P117-S203 WeakPolarHBondContact O-CA 3.41Å; P117-S203 WeakPolarHBondContact O-CB 3.08Å; S191-S203 PolarHBondContact OG-O 3.11Å; S191-S203 PolarHBondContact OG-OG 3.2Å; M192-S203 PolarHBondContact N-OG 3.22Å; M192-S203 PolarHBondContact O-N 3.38Å
204K95.3Very high92.2Very high157 Ų15742.4 Ų42.468%0.68324%0.238SC*.PPolyproline II helixtrans-55.4148.4157.6-65-179.6-177.5175.30109.8
205T94.8Very high92.3Very high77 Ų7745.2 Ų45.247%0.47225%0.251SS..PPolyproline II helixtrans-72.7133.2176.548.70000110.2I189 V190I189-T205 HydrophobicContact CG2-CG2 4Å; V190-T205 CarbonylContact O-C 3.48Å; V190-T205 VanDerWaalsContact O-CA 3.31Å; V190-T205 WeakPolarHBondContact O-CA 3.23Å
206Q94.8Very high92.5Very high64 Ų6445.1 Ų45.130%0.29925%0.249SC..EExtended strand (participates in β ladder)trans-107.9134.2168.5-169.9170.515.500108.8V190V190-Q206 HydrophobicContact CG2-CB 4.03Å; V190-Q206 WeakPolarHBondContact CG2-O 3.37Å; V190-Q206 PolarHBondContact N-O 2.04Å; V190-Q206 PolarHBondContact O-N 2.96Å
207T94.7Very high92.8Very high83 Ų8347.1 Ų47.151%0.50926%0.26SS..EExtended strand (participates in β ladder)trans-119.3133.8-178.4-54.10000109.6Y188 I189Y188-T207 VanDerWaalsContact O-CA 3.28Å; Y188-T207 WeakPolarHBondContact O-CA 3.45Å; I189-T207 HydrophobicContact CG1-CG2 4.05Å
208F94.2Very high93.3Very high18 Ų1848.2 Ų48.28%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-150.5157.8175.557.4-92.1000111.3C121 V130 L178 Y188 V190 I213C121-F208 HydrophobicContact CB-CE1 4.31Å; V130-F208 HydrophobicContact CG1-CE2 4.45Å; V130-F208 HydrophobicContact CG1-CZ 4Å; V130-F208 HydrophobicContact CG2-CE2 4.32Å; L178-F208 HydrophobicContact CD2-CZ 4.08Å; Y188-F208 HydrophobicContact CD2-CD2 4.48Å; Y188-F208 HydrophobicContact CD2-CE2 4.06Å; Y188-F208 HydrophobicContact CG-CE2 4.05Å; Y188-F208 HydrophobicContact CG-CZ 4.36Å; Y188-F208 PolarHBondContact N-O 3.47Å; Y188-F208 PolarHBondContact O-N 3.36Å; V190-F208 HydrophobicContact CG1-CE1 4.1Å; V190-F208 HydrophobicContact CG1-CZ 4.33Å; V190-F208 HydrophobicContact CG2-CE1 3.84Å; F208-I213 HydrophobicContact CB-CB 4.09Å; F208-I213 HydrophobicContact CB-CD1 4.09Å; F208-I213 HydrophobicContact CD1-CD1 3.45Å; F208-I213 VanDerWaalsContact CD1-CD1 3.45Å; F208-I213 HydrophobicContact CD2-CB 3.77Å; F208-I213 HydrophobicContact CD2-CD1 3.69Å; F208-I213 HydrophobicContact CD2-CG1 4.33Å; F208-I213 HydrophobicContact CD2-CG2 3.79Å; F208-I213 HydrophobicContact CE1-CD1 3.65Å; F208-I213 HydrophobicContact CE2-CB 4.42Å; F208-I213 HydrophobicContact CE2-CD1 3.9Å; F208-I213 HydrophobicContact CE2-CG2 4.06Å; F208-I213 HydrophobicContact CG-CB 4Å; F208-I213 HydrophobicContact CG-CD1 3.46Å; F208-I213 VanDerWaalsContact CG-CD1 3.46Å; F208-I213 HydrophobicContact CG-CG1 4.27Å; F208-I213 HydrophobicContact CZ-CD1 3.88Å
209Q92.6Very high93.8Very high68 Ų6846.5 Ų46.532%0.31826%0.256SS..EExtended strand (participates in β ladder)trans-85.4141.4167-165.3175.626.400109.2S185 F187 C211 G212 I213S185-Q209 PolarHBondContact O-NE2 3.32Å; F187-Q209 HydrophobicContact CD1-CB 4.28Å; F187-Q209 HydrophobicContact CE1-CB 4.06Å; F187-Q209 HydrophobicContact CE1-CG 4.42Å; F187-Q209 HydrophobicContact CZ-CG 4.44Å; Q209-C211 PolarHBondContact O-N 3.46Å; Q209-C211 VanDerWaalsContact O-N 3.14Å; Q209-G212 PolarHBondContact O-N 2.91Å; Q209-I213 PolarHBondContact O-N 2.89Å
210G89.7Confident94.2Very high1 Ų146.5 Ų46.51%0.0125%0.253CS..THydrogen-bonded Turntrans-53.3-38-176.500000114.1R123 D184 S186R123-G210 PolarHBondContact NH1-O 2.89Å; D184-G210 CarbonylContact O-C 3.53Å; D184-G210 WeakPolarHBondContact O-CA 3.26Å; S186-G210 PolarHBondContact O-N 3Å
211C85.8Confident94.5Very high31 Ų3148.9 Ų48.921%0.20926%0.262CS..THydrogen-bonded Turntrans-86.7-8.5176.162.10000115.3D184 Q209 Q300D184-C211 PolarHBondContact O-N 2.93Å; Q209-C211 PolarHBondContact O-N 3.46Å; Q209-C211 VanDerWaalsContact O-N 3.14Å; C211-Q300 WeakPolarHBondContact O-CG 3.27Å
212G88.9Confident94.7Very high30 Ų3045.7 Ų45.731%0.30925%0.249SC..THydrogen-bonded Turntrans-99.3-18.1-174.200000115.2Q209 L214Q209-G212 PolarHBondContact O-N 2.91Å; G212-L214 PolarHBondContact O-N 3.05Å
213I94.7Very high94.8Very high19 Ų1945.1 Ų45.110%0.09725%0.252CS..  trans-79.2-2.5-178-170157.6000114.1C121 R123 V130 F208 Q209 Q215C121-I213 HydrophobicContact CB-CD1 3.81Å; R123-I213 HydrophobicContact CB-CG2 4.05Å; R123-I213 PolarHBondContact N-O 2.97Å; V130-I213 HydrophobicContact CG1-CD1 3.87Å; V130-I213 HydrophobicContact CG2-CG2 3.87Å; F208-I213 HydrophobicContact CB-CB 4.09Å; F208-I213 HydrophobicContact CB-CD1 4.09Å; F208-I213 HydrophobicContact CD1-CD1 3.45Å; F208-I213 VanDerWaalsContact CD1-CD1 3.45Å; F208-I213 HydrophobicContact CD2-CB 3.77Å; F208-I213 HydrophobicContact CD2-CD1 3.69Å; F208-I213 HydrophobicContact CD2-CG1 4.33Å; F208-I213 HydrophobicContact CD2-CG2 3.79Å; F208-I213 HydrophobicContact CE1-CD1 3.65Å; F208-I213 HydrophobicContact CE2-CB 4.42Å; F208-I213 HydrophobicContact CE2-CD1 3.9Å; F208-I213 HydrophobicContact CE2-CG2 4.06Å; F208-I213 HydrophobicContact CG-CB 4Å; F208-I213 HydrophobicContact CG-CD1 3.46Å; F208-I213 VanDerWaalsContact CG-CD1 3.46Å; F208-I213 HydrophobicContact CG-CG1 4.27Å; F208-I213 HydrophobicContact CZ-CD1 3.88Å; Q209-I213 PolarHBondContact O-N 2.89Å; I213-Q215 PolarHBondContact O-N 3.14Å
214L94.4Very high94.9Very high4 Ų445.7 Ų45.72%0.02126%0.255CS..BIsolated β-bridgetrans-63.1122.6179.8-177.767.5000109.9R123 S125 P126 G212 W244 E296 Q300 G301 E302R123-L214 HydrophobicContact CG-CD1 4.3Å; S125-L214 VanDerWaalsContact C-CD1 3.48Å; P126-L214 HydrophobicContact CG-CD1 4.28Å; P126-L214 HydrophobicContact CG-CD2 3.9Å; G212-L214 PolarHBondContact O-N 3.05Å; L214-W244 HydrophobicContact CD1-CZ3 4.25Å; L214-W244 HydrophobicContact CD2-CH2 4.35Å; L214-W244 HydrophobicContact CD2-CZ3 4.49Å; L214-E296 HydrophobicContact CD2-CB 3.8Å; L214-E296 HydrophobicContact CD2-CG 3.92Å; L214-Q300 HydrophobicContact CD2-CG 4.48Å; L214-G301 CarbonylContact O-C 3.55Å; L214-G301 VanDerWaalsContact O-CA 3.3Å; L214-G301 WeakPolarHBondContact O-CA 3.12Å; L214-E302 PolarHBondContact O-N 2.87Å
215Q95.9Very high95Very high59 Ų5941.5 Ų41.528%0.27624%0.242SC..  trans-144.7103.2174.1-167.9-179.42.200108.6R123 K124 I213 E302 W303R123-Q215 CarbonylContact O-C 3.57Å; R123-Q215 PolarHBondContact O-N 3.3Å; K124-Q215 WeakPolarHBondContact CD-O 3.39Å; I213-Q215 PolarHBondContact O-N 3.14Å; Q215-E302 HydrophobicContact CB-CB 4.41Å; Q215-E302 HydrophobicContact CG-CB 4.13Å; Q215-W303 PolarHBondContact NE2-O 3.37Å; Q215-W303 VanDerWaalsContact NE2-O 3.14Å
216P96.8Very high95.1Very high2 Ų240.3 Ų40.31%0.01324%0.24CC..PPolyproline II helixtrans-60.9163.1178.9-1930.2000112.1W244 L251 S304P216-W244 HydrophobicContact CB-CE3 4.2Å; P216-W244 HydrophobicContact CB-CZ3 4.26Å; P216-W244 HydrophobicContact CG-CE3 4.26Å; P216-W244 HydrophobicContact CG-CZ3 3.81Å; P216-L251 HydrophobicContact CB-CD2 4.14Å; P216-L251 HydrophobicContact CG-CD2 3.74Å; P216-S304 WeakPolarHBondContact O-CB 3.5Å
217D97.2Very high95.2Very high48 Ų4839 Ų3926%0.25724%0.236SC..PPolyproline II helixtrans-76.1161.6165-71.4-47.9000111.5K124 P241 S243K124-D217 WeakPolarHBondContact CE-OD1 3.15Å; K124-D217 IonicContact NZ-OD1 2.64Å; K124-D217 PolarHBondContact NZ-OD1 2.85Å; D217-P241 HydrophobicContact CB-CB 3.79Å; D217-P241 HydrophobicContact CB-CG 4.35Å; D217-S243 WeakPolarHBondContact CB-OG 3.06Å; D217-S243 WeakPolarHBondContact OD2-CB 3.45Å; D217-S243 PolarHBondContact OD2-OG 2.87Å
218P98Very high95.2Very high40 Ų4038.1 Ų38.126%0.2624%0.237SC..PPolyproline II helixtrans-60.3147.2176.8-22.133.4000112.3E305P218-E305 WeakPolarHBondContact CB-O 3.25Å; P218-E305 HydrophobicContact CG-CB 4.09Å; P218-E305 WeakPolarHBondContact CG-O 3.4Å
219P97.6Very high95.1Very high6 Ų647.2 Ų47.24%0.03927%0.271CS..PPolyproline II helixtrans-52.5142.6175.7-27.235.6000113.1W238 F253 L292 A294P219-W238 HydrophobicContact CB-CB 4.47Å; P219-W238 HydrophobicContact CB-CG 4.48Å; P219-F253 HydrophobicContact CB-CD1 4.47Å; P219-F253 HydrophobicContact CB-CE1 4.31Å; P219-F253 HydrophobicContact CG-CD1 3.73Å; P219-F253 HydrophobicContact CG-CE1 3.85Å; P219-L292 HydrophobicContact CB-CB 4.29Å; P219-L292 HydrophobicContact CG-CB 3.9Å; P219-A294 HydrophobicContact CG-CB 4.06Å
220A96.9Very high95.3Very high30 Ų3046.2 Ų46.225%0.24827%0.268CS..EExtended strand (participates in β ladder)trans-99.2161.2-175.300000112.2I222 Q239A220-I222 PolarHBondContact O-N 2.86Å; A220-Q239 PolarHBondContact N-O 3.35Å; A220-Q239 PolarHBondContact O-N 2.02Å
221N96.9Very high95.6Very high107 Ų10748.8 Ų48.857%0.57228%0.284SS*.EExtended strand (participates in β ladder)trans52.946169.1-62.3-25.1000114.5T223 Q239N221-T223 PolarHBondContact O-N 2.94Å; N221-Q239 HydrophobicContact CB-CG 4.3Å; N221-Q239 PolarHBondContact ND2-OE1 2.84Å
222I97.9Very high96.1Very high32 Ų3252 Ų5216%0.16429%0.292CS..EExtended strand (participates in β ladder)trans-71.7122.4-180-56.7169.2000109.8A220 V236 T237 W238 L292 S307 A310A220-I222 PolarHBondContact O-N 2.86Å; I222-V236 HydrophobicContact CG2-CG1 4.1Å; I222-T237 CarbonylContact C-O 3.56Å; I222-T237 VanDerWaalsContact CA-O 3.29Å; I222-T237 WeakPolarHBondContact CA-O 3.47Å; I222-W238 HydrophobicContact CG1-CB 3.94Å; I222-L292 HydrophobicContact CD1-CB 4.2Å; I222-L292 HydrophobicContact CD1-CD1 3.76Å; I222-L292 HydrophobicContact CG1-CD1 4.08Å; I222-L292 HydrophobicContact CG2-CD1 3.77Å; I222-S307 WeakPolarHBondContact CD1-OG 3.04Å; I222-A310 HydrophobicContact CB-CB 4.09Å; I222-A310 HydrophobicContact CG2-CB 3.64Å
223T97.6Very high96.5Very high63 Ų6355 Ų5539%0.38729%0.294SS..EExtended strand (participates in β ladder)trans-118.2141.5174.180.50000110.6N221 V236 T237N221-T223 PolarHBondContact O-N 2.94Å; T223-V236 VanDerWaalsContact O-CA 3.27Å; T223-V236 WeakPolarHBondContact O-CA 3.36Å; T223-T237 PolarHBondContact N-O 3.02Å; T223-T237 PolarHBondContact O-N 2.98Å; T223-T237 PolarHBondContact OG1-OG1 2.99Å
224V97.9Very high96.6Very high21 Ų2154 Ų5413%0.12729%0.289CS..EExtended strand (participates in β ladder)trans-126111.8179.5-173.30000108L234 V236 V290 A310V224-L234 HydrophobicContact CG1-CB 4.17Å; V224-L234 HydrophobicContact CG1-CD1 4.06Å; V224-L234 HydrophobicContact CG1-CD2 4.07Å; V224-L234 HydrophobicContact CG1-CG 4.34Å; V224-V236 HydrophobicContact CG1-CG2 4.36Å; V224-V236 HydrophobicContact CG2-CG1 4.42Å; V224-V236 HydrophobicContact CG2-CG2 4.45Å; V224-V290 HydrophobicContact CG1-CG2 4.1Å; V224-V290 HydrophobicContact CG2-CB 3.9Å; V224-V290 HydrophobicContact CG2-CG1 4.48Å; V224-V290 HydrophobicContact CG2-CG2 3.81Å; V224-A310 HydrophobicContact CG2-CB 3.87Å
225T97.4Very high96.8Very high69 Ų6955.2 Ų55.242%0.42330%0.298SS..EExtended strand (participates in β ladder)trans-122.2144.4-171.456.60000111.9L234 S235T225-L234 CarbonylContact O-C 3.58Å; T225-L234 WeakPolarHBondContact O-CA 3.15Å; T225-S235 PolarHBondContact N-O 2.92Å; T225-S235 PolarHBondContact O-N 3.34Å; T225-S235 WeakPolarHBondContact OG1-CB 3.45Å; T225-S235 PolarHBondContact OG1-O 2.71Å
226A97.1Very high96.9Very high51 Ų5152.4 Ų52.442%0.42129%0.285SS..EExtended strand (participates in β ladder)trans-74135.8176.500000110.9T313 W315A226-T313 WeakPolarHBondContact CB-O 3.35Å; A226-W315 HydrophobicContact CB-CB 4.2Å
227V96.9Very high96.9Very high37 Ų3754.9 Ų54.922%0.22430%0.3CS..PPolyproline II helixtrans-89.9118.8173.2-174.80000109.3R229 N230 W233 V278 W315V227-R229 PolarHBondContact O-N 2.82Å; V227-N230 HydrophobicContact CB-CB 4.19Å; V227-N230 HydrophobicContact CG1-CB 4.26Å; V227-N230 PolarHBondContact O-N 3.06Å; V227-N230 VanDerWaalsContact O-N 3.07Å; V227-W233 HydrophobicContact CB-CB 3.87Å; V227-W233 HydrophobicContact CB-CE3 4.43Å; V227-W233 HydrophobicContact CG1-CE3 4.09Å; V227-W233 HydrophobicContact CG2-CB 3.94Å; V227-V278 HydrophobicContact CG2-CG1 4.49Å; V227-W315 VanDerWaalsContact O-CB 3.23Å; V227-W315 WeakPolarHBondContact O-CB 3.2Å
228A94.4Very high96.9Very high64 Ų6453 Ų5353%0.52929%0.289SS..THydrogen-bonded Turntrans-53.5140.3-177.900000111.8N230A228-N230 PolarHBondContact O-N 3.04Å; A228-N230 VanDerWaalsContact O-N 3.15Å; A228-N230 PolarHBondContact O-ND2 2.9Å
229R93.4Very high96.9Very high210 Ų21056.2 Ų56.279%0.79230%0.301SS*.THydrogen-bonded Turntrans62.29.7-177.3-56.1-176.7-72.3-118.10.8115.4V227V227-R229 PolarHBondContact O-N 2.82Å
230N95.9Very high96.8Very high46 Ų4658.7 Ų58.725%0.24631%0.314CS..  trans-124.297.4-179.3-71.4-84.1000110.9V227 A228 R232 W233V227-N230 HydrophobicContact CB-CB 4.19Å; V227-N230 HydrophobicContact CG1-CB 4.26Å; V227-N230 PolarHBondContact O-N 3.06Å; V227-N230 VanDerWaalsContact O-N 3.07Å; A228-N230 PolarHBondContact O-N 3.04Å; A228-N230 VanDerWaalsContact O-N 3.15Å; A228-N230 PolarHBondContact O-ND2 2.9Å; N230-R232 PolarHBondContact O-N 2.83Å; N230-R232 VanDerWaalsContact O-N 3.15Å; N230-W233 HydrophobicContact CB-CB 3.64Å; N230-W233 HydrophobicContact CB-CD2 3.74Å; N230-W233 HydrophobicContact CB-CE3 4.1Å; N230-W233 HydrophobicContact CB-CG 3.57Å; N230-W233 PolarHBondContact O-N 2.62Å
231P95.1Very high96.8Very high55 Ų5557.6 Ų57.636%0.35730%0.304SS..THydrogen-bonded Turntrans-74.6-5.7-170.630.3-36.3000114.9S284 P314 W315P231-S284 VanDerWaalsContact O-CA 3.27Å; P231-S284 WeakPolarHBondContact O-CA 3.24Å; P231-S284 WeakPolarHBondContact O-CB 3.43Å; P231-P314 WeakPolarHBondContact O-CB 3.21Å; P231-W315 VanDerWaalsContact CA-O 3.29Å; P231-W315 WeakPolarHBondContact CA-O 3.4Å; P231-W315 HydrophobicContact CB-CE3 4.45Å
232R96.3Very high96.7Very high98 Ų9861.6 Ų61.637%0.3732%0.319SS..THydrogen-bonded Turntrans-115.24.2178.6-58.4-69.1-65.2-166.611.6112.5N230 H280 D281 A282 W283N230-R232 PolarHBondContact O-N 2.83Å; N230-R232 VanDerWaalsContact O-N 3.15Å; R232-H280 WeakPolarHBondContact CB-O 3.4Å; R232-H280 CarbonylContact O-C 3.25Å; R232-H280 VanDerWaalsContact O-C 3.25Å; R232-D281 PolarHBondContact NH2-O 3.43Å; R232-D281 PolarHBondContact O-N 2.98Å; R232-A282 VanDerWaalsContact CA-O 3.32Å; R232-A282 WeakPolarHBondContact CA-O 3.38Å; R232-A282 WeakPolarHBondContact CD-O 3.2Å; R232-A282 PolarHBondContact NE-O 2.78Å; R232-A282 PolarHBondContact NH2-O 2.89Å; R232-A282 WeakPolarHBondContact O-CB 3.26Å; R232-A282 PolarHBondContact O-N 2.79Å; R232-W283 VanDerWaalsContact NH2-CD1 3.3Å
233W97.7Very high96.6Very high93 Ų9361.6 Ų61.635%0.35232%0.322SS..  trans-108.6134.9-169.1-66.817.2000112.6V227 N230 V278 I279 H280V227-W233 HydrophobicContact CB-CB 3.87Å; V227-W233 HydrophobicContact CB-CE3 4.43Å; V227-W233 HydrophobicContact CG1-CE3 4.09Å; V227-W233 HydrophobicContact CG2-CB 3.94Å; N230-W233 HydrophobicContact CB-CB 3.64Å; N230-W233 HydrophobicContact CB-CD2 3.74Å; N230-W233 HydrophobicContact CB-CE3 4.1Å; N230-W233 HydrophobicContact CB-CG 3.57Å; N230-W233 PolarHBondContact O-N 2.62Å; W233-V278 HydrophobicContact CB-CG1 4.32Å; W233-V278 HydrophobicContact CD2-CG1 4.35Å; W233-V278 HydrophobicContact CE3-CG1 4.04Å; W233-V278 HydrophobicContact CG-CG1 4.47Å; W233-I279 CarbonylContact C-O 3.53Å; W233-I279 WeakPolarHBondContact CA-O 3.26Å; W233-H280 AromaticContact CD1-ND1 3.93Å; W233-H280 AromaticContact CD2-ND1 3.46Å; W233-H280 AromaticContact CE2-ND1 3.22Å; W233-H280 AromaticContact CE3-ND1 3.88Å; W233-H280 AromaticContact CG-ND1 3.96Å; W233-H280 AromaticContact CH2-CE1 3.97Å; W233-H280 AromaticContact CH2-ND1 3.91Å; W233-H280 AromaticContact CZ2-CE1 3.99Å; W233-H280 AromaticContact CZ2-ND1 3.48Å; W233-H280 WeakPolarHBondContact CZ2-ND1 3.32Å; W233-H280 AromaticContact NE1-ND1 3.52Å
234L97.7Very high96.4Very high0 Ų059.4 Ų59.40%031%0.306CS..EExtended strand (participates in β ladder)trans-129.1123.5171.6-71173.1000109.2V224 T225 V278 I279 A282 H288 P314V224-L234 HydrophobicContact CG1-CB 4.17Å; V224-L234 HydrophobicContact CG1-CD1 4.06Å; V224-L234 HydrophobicContact CG1-CD2 4.07Å; V224-L234 HydrophobicContact CG1-CG 4.34Å; T225-L234 CarbonylContact O-C 3.58Å; T225-L234 WeakPolarHBondContact O-CA 3.15Å; L234-V278 CarbonylContact O-C 3.56Å; L234-V278 WeakPolarHBondContact O-CA 3.41Å; L234-I279 HydrophobicContact CB-CB 4.25Å; L234-I279 HydrophobicContact CB-CD1 4.32Å; L234-I279 PolarHBondContact N-O 3.17Å; L234-I279 PolarHBondContact O-N 2.88Å; L234-A282 HydrophobicContact CD1-CB 3.86Å; L234-A282 HydrophobicContact CG-CB 4.12Å; L234-H288 HydrophobicContact CD1-CB 3.87Å; L234-P314 HydrophobicContact CD1-CG 4.24Å; L234-P314 HydrophobicContact CD2-CB 4.48Å; L234-P314 HydrophobicContact CD2-CG 4.19Å; L234-P314 HydrophobicContact CG-CG 4.05Å
235S97.6Very high95.9Very high29 Ų2963.6 Ų63.620%0.20333%0.328CS..EExtended strand (participates in β ladder)trans-88.4123.2171.6177.70000108.9T225T225-S235 PolarHBondContact N-O 2.92Å; T225-S235 PolarHBondContact O-N 3.34Å; T225-S235 WeakPolarHBondContact OG1-CB 3.45Å; T225-S235 PolarHBondContact OG1-O 2.71Å
236V97.9Very high95.3Very high0 Ų061 Ų610%031%0.313CS..EExtended strand (participates in β ladder)trans-114130-179.1-171.40000108.5I222 T223 V224 W238 L255 H276 C277 I279 V290 L292I222-V236 HydrophobicContact CG2-CG1 4.1Å; T223-V236 VanDerWaalsContact O-CA 3.27Å; T223-V236 WeakPolarHBondContact O-CA 3.36Å; V224-V236 HydrophobicContact CG1-CG2 4.36Å; V224-V236 HydrophobicContact CG2-CG1 4.42Å; V224-V236 HydrophobicContact CG2-CG2 4.45Å; V236-W238 HydrophobicContact CB-CZ3 4.29Å; V236-W238 HydrophobicContact CG1-CE3 4Å; V236-W238 HydrophobicContact CG1-CZ3 4.09Å; V236-W238 WeakPolarHBondContact O-CZ3 3.4Å; V236-L255 HydrophobicContact CB-CD1 4.22Å; V236-L255 HydrophobicContact CG1-CD1 3.99Å; V236-L255 HydrophobicContact CG2-CD1 4.3Å; V236-H276 CarbonylContact O-C 3.54Å; V236-H276 WeakPolarHBondContact O-CA 3.43Å; V236-C277 PolarHBondContact N-O 2.87Å; V236-C277 PolarHBondContact O-N 2.88Å; V236-I279 HydrophobicContact CG2-CD1 3.86Å; V236-I279 HydrophobicContact CG2-CG1 4.32Å; V236-V290 HydrophobicContact CG1-CG1 4.06Å; V236-V290 HydrophobicContact CG2-CG1 4.28Å; V236-L292 HydrophobicContact CG1-CD1 4.11Å
237T97.9Very high94.8Very high53 Ų5363.6 Ų63.633%0.32533%0.328SS..EExtended strand (participates in β ladder)trans-130.4152.8174.767.80000110.2I222 T223 H275 H276I222-T237 CarbonylContact C-O 3.56Å; I222-T237 VanDerWaalsContact CA-O 3.29Å; I222-T237 WeakPolarHBondContact CA-O 3.47Å; T223-T237 PolarHBondContact N-O 3.02Å; T223-T237 PolarHBondContact O-N 2.98Å; T223-T237 PolarHBondContact OG1-OG1 2.99Å; T237-H275 WeakPolarHBondContact CA-O 3.31Å; T237-H276 HydrophobicContact CG2-CB 3.9Å
238W97.5Very high94.4Very high8 Ų870 Ų703%0.0335%0.353CS..EExtended strand (participates in β ladder)trans-153.9179.1179.859.594.3000110.7P219 I222 V236 F253 V270 Q274 H275 C277 L292P219-W238 HydrophobicContact CB-CB 4.47Å; P219-W238 HydrophobicContact CB-CG 4.48Å; I222-W238 HydrophobicContact CG1-CB 3.94Å; V236-W238 HydrophobicContact CB-CZ3 4.29Å; V236-W238 HydrophobicContact CG1-CE3 4Å; V236-W238 HydrophobicContact CG1-CZ3 4.09Å; V236-W238 WeakPolarHBondContact O-CZ3 3.4Å; W238-F253 AromaticContact CD1-CE1 3.9Å; W238-F253 AromaticContact CE2-CD2 3.98Å; W238-F253 AromaticContact CE2-CG 3.99Å; W238-F253 HydrophobicContact CZ2-CB 4.11Å; W238-F253 HydrophobicContact CZ2-CD2 4.02Å; W238-F253 HydrophobicContact CZ2-CG 4.12Å; W238-F253 AromaticContact NE1-CD1 3.53Å; W238-F253 AromaticContact NE1-CD2 3.33Å; W238-F253 VanDerWaalsContact NE1-CD2 3.33Å; W238-F253 AromaticContact NE1-CE1 3.61Å; W238-F253 AromaticContact NE1-CE2 3.43Å; W238-F253 AromaticContact NE1-CG 3.38Å; W238-F253 AromaticContact NE1-CZ 3.56Å; W238-V270 HydrophobicContact CH2-CB 4.38Å; W238-V270 HydrophobicContact CH2-CG1 3.87Å; W238-V270 HydrophobicContact CH2-CG2 3.68Å; W238-V270 HydrophobicContact CZ2-CB 4.26Å; W238-V270 HydrophobicContact CZ2-CG1 3.87Å; W238-V270 HydrophobicContact CZ2-CG2 3.78Å; W238-Q274 WeakPolarHBondContact CZ2-O 3.47Å; W238-H275 PolarHBondContact N-O 3.19Å; W238-C277 HydrophobicContact CH2-CB 4.15Å; W238-C277 HydrophobicContact CZ3-CB 4.4Å; W238-L292 HydrophobicContact CD2-CD2 3.36Å; W238-L292 VanDerWaalsContact CE2-CD2 3.43Å; W238-L292 HydrophobicContact CE3-CD1 4.26Å; W238-L292 HydrophobicContact CE3-CD2 3.5Å; W238-L292 HydrophobicContact CG-CD2 3.95Å; W238-L292 HydrophobicContact CH2-CD2 3.82Å; W238-L292 HydrophobicContact CZ2-CD2 3.65Å; W238-L292 HydrophobicContact CZ3-CD2 3.75Å
239Q96.6Very high94.3Very high108 Ų10869.5 Ų69.551%0.50534%0.338SS..EExtended strand (participates in β ladder)trans-133.9159.7177.5-63.5175.611.700110.3A220 N221A220-Q239 PolarHBondContact N-O 3.35Å; A220-Q239 PolarHBondContact O-N 2.02Å; N221-Q239 HydrophobicContact CB-CG 4.3Å; N221-Q239 PolarHBondContact ND2-OE1 2.84Å
240D96.5Very high94.4Very high59 Ų5966.8 Ų66.832%0.31633%0.328SS..  trans-60.7145.7170.5-68.9-15000110.3L251 F253 H275D240-L251 HydrophobicContact CB-CD1 4.46Å; D240-F253 WeakPolarHBondContact OD1-CZ 3.49Å; D240-H275 IonicContact OD1-CD2 3.99Å; D240-H275 IonicContact OD1-CE1 2.69Å; D240-H275 IonicContact OD1-NE2 2.67Å; D240-H275 PolarHBondContact OD1-NE2 3.04Å; D240-H275 IonicContact OD2-NE2 3.07Å
241P96.8Very high94.3Very high6 Ų664.7 Ų64.74%0.03932%0.317CS..  trans-63147.4174.727.7-33.7000110.4D217 S243 W244 L251D217-P241 HydrophobicContact CB-CB 3.79Å; D217-P241 HydrophobicContact CB-CG 4.35Å; P241-S243 PolarHBondContact O-N 3.38Å; P241-S243 VanDerWaalsContact O-N 3.09Å; P241-W244 HydrophobicContact CG-CB 3.92Å; P241-W244 WeakPolarHBondContact O-CB 3.36Å; P241-W244 PolarHBondContact O-N 2.9Å; P241-L251 HydrophobicContact CG-CD1 4.2Å
242H94.8Very high94.4Very high191 Ų19165.6 Ų65.688%0.88431%0.313SS*.THydrogen-bonded Turntrans-60.4-24.6-179-16965.5000113.8W244H242-W244 VanDerWaalsContact C-N 3.25Å; H242-W244 PolarHBondContact O-N 3.36Å
243S94.9Very high94.4Very high33 Ų3361 Ų6123%0.23130%0.295CS..THydrogen-bonded Turntrans-73.2-15.7175.858.30000113.6D217 P241 N245D217-S243 WeakPolarHBondContact CB-OG 3.06Å; D217-S243 WeakPolarHBondContact OD2-CB 3.45Å; D217-S243 PolarHBondContact OD2-OG 2.87Å; P241-S243 PolarHBondContact O-N 3.38Å; P241-S243 VanDerWaalsContact O-N 3.09Å; S243-N245 PolarHBondContact O-N 2.62Å
244W95.1Very high94.4Very high16 Ų1658 Ų586%0.06129%0.285CS..  trans-85.488.1174.5-163.9-95000110.9P126 L214 P216 P241 H242 Y249 L251 E296P126-W244 VanDerWaalsContact CD-CH2 3.41Å; P126-W244 HydrophobicContact CG-CH2 3.78Å; P126-W244 HydrophobicContact CG-CZ2 4.27Å; P126-W244 HydrophobicContact CG-CZ3 4.34Å; L214-W244 HydrophobicContact CD1-CZ3 4.25Å; L214-W244 HydrophobicContact CD2-CH2 4.35Å; L214-W244 HydrophobicContact CD2-CZ3 4.49Å; P216-W244 HydrophobicContact CB-CE3 4.2Å; P216-W244 HydrophobicContact CB-CZ3 4.26Å; P216-W244 HydrophobicContact CG-CE3 4.26Å; P216-W244 HydrophobicContact CG-CZ3 3.81Å; P241-W244 HydrophobicContact CG-CB 3.92Å; P241-W244 WeakPolarHBondContact O-CB 3.36Å; P241-W244 PolarHBondContact O-N 2.9Å; H242-W244 VanDerWaalsContact C-N 3.25Å; H242-W244 PolarHBondContact O-N 3.36Å; W244-Y249 PolarHBondContact NE1-O 3.38Å; W244-L251 HydrophobicContact CB-CD1 4.33Å; W244-L251 HydrophobicContact CD2-CD1 3.96Å; W244-L251 HydrophobicContact CD2-CD2 3.92Å; W244-L251 HydrophobicContact CD2-CG 3.92Å; W244-L251 HydrophobicContact CE3-CD1 4.38Å; W244-L251 HydrophobicContact CE3-CD2 3.85Å; W244-L251 HydrophobicContact CE3-CG 4.35Å; W244-L251 HydrophobicContact CG-CD1 3.94Å; W244-L251 HydrophobicContact CG-CG 4.29Å; W244-L251 HydrophobicContact CH2-CD2 3.61Å; W244-L251 HydrophobicContact CH2-CG 4.42Å; W244-L251 HydrophobicContact CZ2-CD2 3.68Å; W244-L251 HydrophobicContact CZ2-CG 4.01Å; W244-L251 HydrophobicContact CZ3-CD2 3.71Å; W244-E296 HydrophobicContact CH2-CB 4.15Å; W244-E296 HydrophobicContact CH2-CG 4.06Å
245N87.1Confident94.4Very high110 Ų11058 Ų5859%0.58829%0.286SS*.  trans-9821.2-169.565.6-11.2000115.1S125 S243S125-N245 PolarHBondContact OG-OD1 2.73Å; S243-N245 PolarHBondContact O-N 2.62Å
246S84.6Confident94.4Very high13 Ų1359.2 Ų59.29%0.09129%0.286CS..  trans-124.5136.5-177.9-171.30000111.9L127 F248L127-S246 WeakPolarHBondContact CD1-OG 3.05Å; S246-F248 PolarHBondContact OG-N 3.32Å
247S85.8Confident94.4Very high107 Ų10759.5 Ų59.575%0.74829%0.287SS*.SBendtrans-91-10.217056.10000113.2
248F89.9Confident94.4Very high171 Ų17159 Ų5975%0.7528%0.279SS*.SBendtrans-78.7-28.2179-62.7-70.2000112.8S246S246-F248 PolarHBondContact OG-N 3.32Å
249Y91.4Very high94.4Very high53 Ų5358.9 Ų58.921%0.20828%0.28CS..SBendtrans-114133.3178-60.1-89.5000109.4P126 L127 E182 W244P126-Y249 HydrophobicContact CB-CD1 4.24Å; P126-Y249 HydrophobicContact CB-CD2 3.78Å; P126-Y249 HydrophobicContact CB-CE1 4.14Å; P126-Y249 HydrophobicContact CB-CE2 3.67Å; P126-Y249 HydrophobicContact CB-CG 4.07Å; P126-Y249 HydrophobicContact CG-CD1 3.94Å; P126-Y249 HydrophobicContact CG-CD2 3.83Å; P126-Y249 HydrophobicContact CG-CE1 4.31Å; P126-Y249 HydrophobicContact CG-CE2 4.22Å; P126-Y249 HydrophobicContact CG-CG 3.68Å; L127-Y249 HydrophobicContact CG-CE2 4.49Å; E182-Y249 WeakPolarHBondContact OE1-CE2 3.11Å; E182-Y249 PolarHBondContact OE1-OH 2.86Å; E182-Y249 PolarHBondContact OE2-OH 2.85Å; W244-Y249 PolarHBondContact NE1-O 3.38Å
250R94.4Very high94.3Very high153 Ų15358.2 Ų58.258%0.57728%0.276SS*.  trans-105.2162.6176.5-58.6-175.3175.4-172.10111.1L273 E297R250-L273 HydrophobicContact CB-CD1 4.03Å; R250-E297 WeakPolarHBondContact CA-OE1 3.36Å; R250-E297 HydrophobicContact CB-CB 4.35Å; R250-E297 VanDerWaalsContact CB-OE1 3.25Å; R250-E297 WeakPolarHBondContact CB-OE1 3.31Å; R250-E297 PolarHBondContact N-OE1 2.84Å; R250-E297 WeakPolarHBondContact O-CB 3.43Å; R250-E297 PolarHBondContact O-N 2.96Å
251L95.6Very high94.2Very high3 Ų363.9 Ų63.92%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-103.5139.1173.7-67.6172000109.8P216 D240 P241 W244 F253 A294 Q295P216-L251 HydrophobicContact CB-CD2 4.14Å; P216-L251 HydrophobicContact CG-CD2 3.74Å; D240-L251 HydrophobicContact CB-CD1 4.46Å; P241-L251 HydrophobicContact CG-CD1 4.2Å; W244-L251 HydrophobicContact CB-CD1 4.33Å; W244-L251 HydrophobicContact CD2-CD1 3.96Å; W244-L251 HydrophobicContact CD2-CD2 3.92Å; W244-L251 HydrophobicContact CD2-CG 3.92Å; W244-L251 HydrophobicContact CE3-CD1 4.38Å; W244-L251 HydrophobicContact CE3-CD2 3.85Å; W244-L251 HydrophobicContact CE3-CG 4.35Å; W244-L251 HydrophobicContact CG-CD1 3.94Å; W244-L251 HydrophobicContact CG-CG 4.29Å; W244-L251 HydrophobicContact CH2-CD2 3.61Å; W244-L251 HydrophobicContact CH2-CG 4.42Å; W244-L251 HydrophobicContact CZ2-CD2 3.68Å; W244-L251 HydrophobicContact CZ2-CG 4.01Å; W244-L251 HydrophobicContact CZ3-CD2 3.71Å; L251-F253 HydrophobicContact CB-CE1 3.94Å; L251-F253 HydrophobicContact CB-CE2 4.12Å; L251-F253 HydrophobicContact CB-CZ 3.58Å; L251-F253 HydrophobicContact CD1-CE1 4.35Å; L251-F253 HydrophobicContact CD1-CZ 4.36Å; L251-F253 WeakPolarHBondContact O-CE2 3.43Å; L251-A294 HydrophobicContact CB-CB 4.34Å; L251-A294 HydrophobicContact CD1-CB 4.04Å; L251-A294 HydrophobicContact CD2-CB 4.22Å; L251-A294 HydrophobicContact CG-CB 4.44Å; L251-Q295 CarbonylContact C-O 3.59Å; L251-Q295 VanDerWaalsContact CA-O 3.32Å; L251-Q295 WeakPolarHBondContact CA-O 3.35Å; L251-Q295 WeakPolarHBondContact CD2-O 3.49Å
252R96.3Very high94.1Very high74 Ų7464.9 Ų64.928%0.27930%0.3SS..EExtended strand (participates in β ladder)trans-96148.1161.171.6-177.3-149.7172.32.8109M269 L273 A294 Q295 W303R252-M269 HydrophobicContact CG-CE 4.36Å; R252-L273 HydrophobicContact CB-CD2 3.68Å; R252-A294 WeakPolarHBondContact O-CA 3.42Å; R252-Q295 HydrophobicContact CG-CB 4.1Å; R252-Q295 WeakPolarHBondContact CG-O 3.42Å; R252-Q295 PolarHBondContact N-O 3.1Å; R252-Q295 VanDerWaalsContact NE-OE1 3.09Å; R252-Q295 PolarHBondContact O-N 2.57Å; R252-W303 HydrophobicContact CG-CH2 4.2Å; R252-W303 VanDerWaalsContact NH2-CZ2 3.34Å
253F97.3Very high94.1Very high0 Ų065.2 Ų65.20%030%0.299CS..EExtended strand (participates in β ladder)trans-120.8142.6-174.7-56.4-79.8000111.8P219 W238 D240 L251 V270 H275 L292 R293 A294P219-F253 HydrophobicContact CB-CD1 4.47Å; P219-F253 HydrophobicContact CB-CE1 4.31Å; P219-F253 HydrophobicContact CG-CD1 3.73Å; P219-F253 HydrophobicContact CG-CE1 3.85Å; W238-F253 AromaticContact CD1-CE1 3.9Å; W238-F253 AromaticContact CE2-CD2 3.98Å; W238-F253 AromaticContact CE2-CG 3.99Å; W238-F253 HydrophobicContact CZ2-CB 4.11Å; W238-F253 HydrophobicContact CZ2-CD2 4.02Å; W238-F253 HydrophobicContact CZ2-CG 4.12Å; W238-F253 AromaticContact NE1-CD1 3.53Å; W238-F253 AromaticContact NE1-CD2 3.33Å; W238-F253 VanDerWaalsContact NE1-CD2 3.33Å; W238-F253 AromaticContact NE1-CE1 3.61Å; W238-F253 AromaticContact NE1-CE2 3.43Å; W238-F253 AromaticContact NE1-CG 3.38Å; W238-F253 AromaticContact NE1-CZ 3.56Å; D240-F253 WeakPolarHBondContact OD1-CZ 3.49Å; L251-F253 HydrophobicContact CB-CE1 3.94Å; L251-F253 HydrophobicContact CB-CE2 4.12Å; L251-F253 HydrophobicContact CB-CZ 3.58Å; L251-F253 HydrophobicContact CD1-CE1 4.35Å; L251-F253 HydrophobicContact CD1-CZ 4.36Å; L251-F253 WeakPolarHBondContact O-CE2 3.43Å; F253-V270 HydrophobicContact CB-CB 4.16Å; F253-V270 HydrophobicContact CB-CG2 3.92Å; F253-V270 PolarHBondContact O-N 2.86Å; F253-H275 AromaticContact CE2-NE2 3.89Å; F253-H275 AromaticContact CZ-NE2 3.88Å; F253-L292 HydrophobicContact CB-CD2 4.3Å; F253-R293 WeakPolarHBondContact CA-O 3.1Å; F253-A294 HydrophobicContact CD1-CB 3.84Å; F253-A294 HydrophobicContact CE1-CB 3.76Å
254E97.7Very high94.1Very high31 Ų3168.7 Ų68.715%0.14532%0.319CS..EExtended strand (participates in β ladder)trans-113.5127.9166.3-166.9-174.9-120.900108.3T267 M269 L292 R293 W303 W306E254-T267 VanDerWaalsContact CD-CG2 3.43Å; E254-T267 HydrophobicContact CG-CG2 3.56Å; E254-M269 HydrophobicContact CB-SD 3.88Å; E254-M269 HydrophobicContact CG-SD 3.95Å; E254-L292 VanDerWaalsContact O-CA 3.32Å; E254-L292 WeakPolarHBondContact O-CA 3.47Å; E254-R293 HydrophobicContact CB-CG 4.06Å; E254-R293 PolarHBondContact N-O 2.94Å; E254-R293 PolarHBondContact O-N 2.88Å; E254-R293 IonicContact OE1-NH2 3.75Å; E254-R293 IonicContact OE2-CZ 3.55Å; E254-R293 IonicContact OE2-NE 3.55Å; E254-R293 PolarHBondContact OE2-NE 1.99Å; E254-R293 IonicContact OE2-NH2 2.73Å; E254-R293 PolarHBondContact OE2-NH2 2.92Å; E254-W303 HydrophobicContact CB-CE3 4.43Å; E254-W303 HydrophobicContact CB-CH2 3.67Å; E254-W303 HydrophobicContact CB-CZ2 4.41Å; E254-W303 HydrophobicContact CB-CZ3 3.69Å; E254-W306 HydrophobicContact CB-CH2 4.48Å; E254-W306 HydrophobicContact CG-CH2 4.21Å; E254-W306 VanDerWaalsContact OE2-CH2 3.26Å; E254-W306 WeakPolarHBondContact OE2-CH2 3.39Å; E254-W306 WeakPolarHBondContact OE2-CZ2 3.18Å
255L97.5Very high94.2Very high1 Ų170.9 Ų70.91%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-108.5138.2178.5179.6147.1000109.3V236 Y257 T267 W268 V270 C277 I279 V290 L292V236-L255 HydrophobicContact CB-CD1 4.22Å; V236-L255 HydrophobicContact CG1-CD1 3.99Å; V236-L255 HydrophobicContact CG2-CD1 4.3Å; L255-Y257 HydrophobicContact CD2-CD1 3.66Å; L255-Y257 HydrophobicContact CD2-CG 4.41Å; L255-T267 CarbonylContact O-C 3.59Å; L255-T267 WeakPolarHBondContact O-CA 3.09Å; L255-W268 PolarHBondContact N-O 2.86Å; L255-W268 PolarHBondContact O-N 2.8Å; L255-V270 HydrophobicContact CB-CG2 4.26Å; L255-C277 VanDerWaalsContact CD1-SG 3.56Å; L255-I279 HydrophobicContact CD2-CD1 4.4Å; L255-V290 HydrophobicContact CD1-CG1 3.82Å; L255-V290 HydrophobicContact CD2-CG1 4.38Å; L255-V290 HydrophobicContact CG-CG1 4.03Å; L255-L292 HydrophobicContact CB-CD2 4.3Å; L255-L292 HydrophobicContact CB-CG 4.11Å; L255-L292 HydrophobicContact CD1-CD1 4.01Å; L255-L292 HydrophobicContact CD1-CD2 4.24Å; L255-L292 HydrophobicContact CD1-CG 4.07Å; L255-L292 HydrophobicContact CG-CD1 4.46Å; L255-L292 HydrophobicContact CG-CG 4.2Å
256R97.9Very high94.6Very high53 Ų5368.4 Ų68.420%0.232%0.318CS..EExtended strand (participates in β ladder)trans-126.9142.7166.574.4-180-176-165.9-1.5111.2F265 T266 T267 V290 Q291 W306R256-F265 HydrophobicContact CB-CB 4.19Å; R256-F265 HydrophobicContact CB-CD1 3.88Å; R256-F265 HydrophobicContact CB-CG 4.27Å; R256-F265 HydrophobicContact CG-CD1 3.55Å; R256-F265 HydrophobicContact CG-CE1 3.81Å; R256-F265 HydrophobicContact CG-CG 4.09Å; R256-T266 CarbonylContact C-O 3.59Å; R256-T266 VanDerWaalsContact CA-O 3.24Å; R256-T266 WeakPolarHBondContact CA-O 2.94Å; R256-T267 HydrophobicContact CB-CG2 4.32Å; R256-V290 WeakPolarHBondContact O-CA 3.37Å; R256-Q291 HydrophobicContact CG-CB 4.04Å; R256-Q291 VanDerWaalsContact CZ-OE1 3.23Å; R256-Q291 PolarHBondContact N-O 2.81Å; R256-Q291 PolarHBondContact O-N 3.28Å; R256-W306 HydrophobicContact CB-CH2 3.84Å; R256-W306 HydrophobicContact CB-CZ3 3.9Å; R256-W306 HydrophobicContact CG-CD2 4.42Å; R256-W306 HydrophobicContact CG-CE3 3.83Å; R256-W306 HydrophobicContact CG-CH2 3.73Å; R256-W306 HydrophobicContact CG-CZ2 4.33Å; R256-W306 HydrophobicContact CG-CZ3 3.45Å; R256-W306 VanDerWaalsContact CG-CZ3 3.45Å; R256-W306 VanDerWaalsContact CZ-CD2 3.49Å; R256-W306 VanDerWaalsContact NH1-CE2 3.3Å; R256-W306 VanDerWaalsContact NH1-NE1 3.16Å
257Y97.7Very high95.2Very high7 Ų770.9 Ų70.93%0.02733%0.333CS..EExtended strand (participates in β ladder)trans-142.4155.417670-74.7000111.9L255 F265 T266 W268 I279 D281 V289L255-Y257 HydrophobicContact CD2-CD1 3.66Å; L255-Y257 HydrophobicContact CD2-CG 4.41Å; Y257-F265 WeakPolarHBondContact O-CA 3.04Å; Y257-T266 WeakPolarHBondContact CD1-O 3.44Å; Y257-T266 HydrophobicContact CE1-CG2 3.68Å; Y257-T266 PolarHBondContact N-O 3.06Å; Y257-T266 PolarHBondContact O-N 2.85Å; Y257-T266 WeakPolarHBondContact OH-CG2 3.23Å; Y257-W268 HydrophobicContact CE1-CD2 4.02Å; Y257-W268 AromaticContact CE1-CE2 3.89Å; Y257-W268 AromaticContact CE1-CE3 3.94Å; Y257-W268 HydrophobicContact CE1-CE3 3.94Å; Y257-W268 AromaticContact CE1-CH2 3.63Å; Y257-W268 HydrophobicContact CE1-CH2 3.63Å; Y257-W268 AromaticContact CE1-CZ2 3.71Å; Y257-W268 HydrophobicContact CE1-CZ2 3.71Å; Y257-W268 AromaticContact CE1-CZ3 3.75Å; Y257-W268 HydrophobicContact CE1-CZ3 3.75Å; Y257-W268 AromaticContact CZ-CH2 3.61Å; Y257-W268 AromaticContact CZ-CZ2 3.72Å; Y257-W268 WeakPolarHBondContact OH-CH2 3.32Å; Y257-W268 WeakPolarHBondContact OH-CZ2 3.39Å; Y257-I279 HydrophobicContact CD1-CD1 4.02Å; Y257-I279 HydrophobicContact CD1-CG1 4.28Å; Y257-I279 HydrophobicContact CD2-CD1 4.02Å; Y257-I279 HydrophobicContact CD2-CG2 3.92Å; Y257-I279 HydrophobicContact CE1-CG1 4.49Å; Y257-I279 HydrophobicContact CE1-CG2 4.2Å; Y257-I279 HydrophobicContact CE2-CG2 3.49Å; Y257-I279 VanDerWaalsContact CE2-CG2 3.49Å; Y257-I279 HydrophobicContact CG-CD1 3.7Å; Y257-I279 HydrophobicContact CG-CG1 4.38Å; Y257-I279 HydrophobicContact CG-CG2 4.44Å; Y257-D281 PolarHBondContact OH-OD1 2.92Å; Y257-D281 PolarHBondContact OH-OD2 3.14Å; Y257-V289 CarbonylContact C-O 3.6Å; Y257-V289 WeakPolarHBondContact CA-O 3.28Å; Y257-V289 WeakPolarHBondContact CB-O 3.22Å
258R97.4Very high95.6Very high42 Ų4270.4 Ų70.416%0.15832%0.315CS..EExtended strand (participates in β ladder)trans-151.1156.2174.864.5-177.8179.874.89.6110.5E260 S262 T264 F265 H288 V289 E309R258-E260 PolarHBondContact NH1-O 3.09Å; R258-S262 WeakPolarHBondContact CD-O 3.33Å; R258-S262 PolarHBondContact NH1-O 3.29Å; R258-T264 WeakPolarHBondContact CB-O 3.21Å; R258-F265 HydrophobicContact CB-CD1 3.91Å; R258-F265 HydrophobicContact CB-CE1 4.23Å; R258-F265 HydrophobicContact CB-CG 4.3Å; R258-F265 VanDerWaalsContact CD-CZ 3.49Å; R258-F265 HydrophobicContact CG-CD1 3.8Å; R258-F265 HydrophobicContact CG-CE1 3.59Å; R258-F265 HydrophobicContact CG-CE2 4.47Å; R258-F265 HydrophobicContact CG-CG 4.34Å; R258-F265 HydrophobicContact CG-CZ 3.97Å; R258-F265 VanDerWaalsContact NE-CZ 3.26Å; R258-H288 CarbonylContact O-C 3.56Å; R258-H288 WeakPolarHBondContact O-CA 3.28Å; R258-H288 WeakPolarHBondContact O-CB 3.28Å; R258-V289 HydrophobicContact CG-CB 4.25Å; R258-V289 PolarHBondContact N-O 2.95Å; R258-V289 PolarHBondContact O-N 3.02Å; R258-E309 IonicContact NH2-OE2 2.85Å
259A96.4Very high95.8Very high5 Ų566.3 Ų66.34%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-63.8142.3162.200000109.1R261 S262 W283A259-R261 HydrophobicContact CB-CG 4.42Å; A259-R261 PolarHBondContact O-N 2.99Å; A259-R261 VanDerWaalsContact O-N 3.15Å; A259-S262 WeakPolarHBondContact O-CA 3.32Å; A259-S262 WeakPolarHBondContact O-CB 3.41Å; A259-S262 PolarHBondContact O-N 3.24Å; A259-W283 HydrophobicContact CB-CD2 4.26Å; A259-W283 HydrophobicContact CB-CE3 4.15Å
260E96.1Very high96Very high94 Ų9464.5 Ų64.544%0.43929%0.293SS..THydrogen-bonded Turntrans-54.7-38.1-176.5-174.6179.1-109.500112.4R258 S262 R287R258-E260 PolarHBondContact NH1-O 3.09Å; E260-S262 VanDerWaalsContact C-N 3.35Å; E260-R287 HydrophobicContact CB-CB 4.21Å; E260-R287 WeakPolarHBondContact CB-O 3.37Å; E260-R287 PolarHBondContact N-O 3.09Å; E260-R287 IonicContact OE1-NE 3.12Å; E260-R287 PolarHBondContact OE1-NE 3.45Å; E260-R287 VanDerWaalsContact OE1-NE 3.12Å; E260-R287 IonicContact OE2-NE 3.9Å
261R93.8Very high95.7Very high179 Ų17964.9 Ų64.968%0.67530%0.299SS*.THydrogen-bonded Turntrans-75.6-16.6175.969.6179.9-176.4179.83115A259 W283A259-R261 HydrophobicContact CB-CG 4.42Å; A259-R261 PolarHBondContact O-N 2.99Å; A259-R261 VanDerWaalsContact O-N 3.15Å; R261-W283 VanDerWaalsContact NH2-CE3 3.3Å
262S95.3Very high95.2Very high26 Ų2671.2 Ų71.218%0.18233%0.333CS..  trans-86.1147.1178.8-171.80000110.2R258 A259 E260 T264R258-S262 WeakPolarHBondContact CD-O 3.33Å; R258-S262 PolarHBondContact NH1-O 3.29Å; A259-S262 WeakPolarHBondContact O-CA 3.32Å; A259-S262 WeakPolarHBondContact O-CB 3.41Å; A259-S262 PolarHBondContact O-N 3.24Å; E260-S262 VanDerWaalsContact C-N 3.35Å; S262-T264 PolarHBondContact OG-N 2.87Å; S262-T264 PolarHBondContact OG-OG1 2.88Å
263K93.3Very high94.8Very high199 Ų19970.1 Ų70.187%0.86533%0.332SS*.SBendtrans-92.3-20.3172-65.8-174.9178.7-177.70113
264T95.2Very high94.5Very high105 Ų10573.7 Ų73.764%0.64435%0.349SS*.PPolyproline II helixtrans-93.6132.9-175.751.90000110.8R258 S262R258-T264 WeakPolarHBondContact CB-O 3.21Å; S262-T264 PolarHBondContact OG-N 2.87Å; S262-T264 PolarHBondContact OG-OG1 2.88Å
265F97Very high94.4Very high63 Ų6375.7 Ų75.728%0.27636%0.358SS..PPolyproline II helixtrans-90.4141.6172.4-78.7-83.4000111R256 Y257 R258 V289R256-F265 HydrophobicContact CB-CB 4.19Å; R256-F265 HydrophobicContact CB-CD1 3.88Å; R256-F265 HydrophobicContact CB-CG 4.27Å; R256-F265 HydrophobicContact CG-CD1 3.55Å; R256-F265 HydrophobicContact CG-CE1 3.81Å; R256-F265 HydrophobicContact CG-CG 4.09Å; Y257-F265 WeakPolarHBondContact O-CA 3.04Å; R258-F265 HydrophobicContact CB-CD1 3.91Å; R258-F265 HydrophobicContact CB-CE1 4.23Å; R258-F265 HydrophobicContact CB-CG 4.3Å; R258-F265 VanDerWaalsContact CD-CZ 3.49Å; R258-F265 HydrophobicContact CG-CD1 3.8Å; R258-F265 HydrophobicContact CG-CE1 3.59Å; R258-F265 HydrophobicContact CG-CE2 4.47Å; R258-F265 HydrophobicContact CG-CG 4.34Å; R258-F265 HydrophobicContact CG-CZ 3.97Å; R258-F265 VanDerWaalsContact NE-CZ 3.26Å; F265-V289 HydrophobicContact CE1-CG1 4.49Å
266T96.8Very high94.3Very high58 Ų5880.1 Ų80.136%0.35638%0.379SS..EExtended strand (participates in β ladder)trans-92.9129.2159.6-56.40000107.8R256 Y257 W268R256-T266 CarbonylContact C-O 3.59Å; R256-T266 VanDerWaalsContact CA-O 3.24Å; R256-T266 WeakPolarHBondContact CA-O 2.94Å; Y257-T266 WeakPolarHBondContact CD1-O 3.44Å; Y257-T266 HydrophobicContact CE1-CG2 3.68Å; Y257-T266 PolarHBondContact N-O 3.06Å; Y257-T266 PolarHBondContact O-N 2.85Å; Y257-T266 WeakPolarHBondContact OH-CG2 3.23Å; T266-W268 HydrophobicContact CG2-CZ2 3.98Å; T266-W268 VanDerWaalsContact CG2-NE1 3.33Å
267T96.9Very high94.2Very high64 Ų6478.8 Ų78.839%0.39338%0.377SS..EExtended strand (participates in β ladder)trans-122.3133.2-174.4-540000110.7E254 L255 R256 W306E254-T267 VanDerWaalsContact CD-CG2 3.43Å; E254-T267 HydrophobicContact CG-CG2 3.56Å; L255-T267 CarbonylContact O-C 3.59Å; L255-T267 WeakPolarHBondContact O-CA 3.09Å; R256-T267 HydrophobicContact CB-CG2 4.32Å; T267-W306 HydrophobicContact CG2-CH2 4.43Å
268W93.2Very high94.1Very high98 Ų9880.6 Ų80.637%0.37139%0.389SS..EExtended strand (participates in β ladder)trans-136.2147.3178.4-56.5-32.6000111.8L255 Y257 T266 I279 D281L255-W268 PolarHBondContact N-O 2.86Å; L255-W268 PolarHBondContact O-N 2.8Å; Y257-W268 HydrophobicContact CE1-CD2 4.02Å; Y257-W268 AromaticContact CE1-CE2 3.89Å; Y257-W268 AromaticContact CE1-CE3 3.94Å; Y257-W268 HydrophobicContact CE1-CE3 3.94Å; Y257-W268 AromaticContact CE1-CH2 3.63Å; Y257-W268 HydrophobicContact CE1-CH2 3.63Å; Y257-W268 AromaticContact CE1-CZ2 3.71Å; Y257-W268 HydrophobicContact CE1-CZ2 3.71Å; Y257-W268 AromaticContact CE1-CZ3 3.75Å; Y257-W268 HydrophobicContact CE1-CZ3 3.75Å; Y257-W268 AromaticContact CZ-CH2 3.61Å; Y257-W268 AromaticContact CZ-CZ2 3.72Å; Y257-W268 WeakPolarHBondContact OH-CH2 3.32Å; Y257-W268 WeakPolarHBondContact OH-CZ2 3.39Å; T266-W268 HydrophobicContact CG2-CZ2 3.98Å; T266-W268 VanDerWaalsContact CG2-NE1 3.33Å; W268-I279 HydrophobicContact CH2-CG2 4.19Å; W268-I279 HydrophobicContact CZ3-CB 4.38Å; W268-I279 HydrophobicContact CZ3-CG1 4.22Å; W268-I279 HydrophobicContact CZ3-CG2 4.27Å; W268-D281 WeakPolarHBondContact CH2-OD1 2.97Å
269M95.4Very high94.1Very high84 Ų8478.6 Ų78.641%0.41438%0.382SS..EExtended strand (participates in β ladder)trans-80.3131.4166.4-73.1-65.4-60.900109.9R252 E254 W303R252-M269 HydrophobicContact CG-CE 4.36Å; E254-M269 HydrophobicContact CB-SD 3.88Å; E254-M269 HydrophobicContact CG-SD 3.95Å; M269-W303 HydrophobicContact CE-CH2 3.81Å; M269-W303 HydrophobicContact CE-CZ2 4.23Å; M269-W303 HydrophobicContact SD-CH2 3.7Å; M269-W303 HydrophobicContact SD-CZ2 3.97Å
270V93.9Very high94.1Very high16 Ų1683.1 Ų83.110%0.09740%0.402CS..PPolyproline II helixtrans-74.1129.1174-175.80000108.7W238 F253 L255 Q274W238-V270 HydrophobicContact CH2-CB 4.38Å; W238-V270 HydrophobicContact CH2-CG1 3.87Å; W238-V270 HydrophobicContact CH2-CG2 3.68Å; W238-V270 HydrophobicContact CZ2-CB 4.26Å; W238-V270 HydrophobicContact CZ2-CG1 3.87Å; W238-V270 HydrophobicContact CZ2-CG2 3.78Å; F253-V270 HydrophobicContact CB-CB 4.16Å; F253-V270 HydrophobicContact CB-CG2 3.92Å; F253-V270 PolarHBondContact O-N 2.86Å; L255-V270 HydrophobicContact CB-CG2 4.26Å; V270-Q274 HydrophobicContact CG1-CB 4.24Å
271K88.1Confident94.1Very high161 Ų16181.9 Ų81.970%0.740%0.398SS*.G310 helixtrans-80156.4-178.8-62.6-177.2-179.6-179.80111L273 Q274K271-L273 PolarHBondContact O-N 2.96Å; K271-Q274 PolarHBondContact O-N 3.03Å
272D86.4Confident94.2Very high136 Ų13673.4 Ų73.473%0.72737%0.366SS*.G310 helixtrans55.326.1168.8-50.1-39.1000115.8Q274D272-Q274 HydrophobicContact CB-CG 4.18Å; D272-Q274 PolarHBondContact O-N 2.86Å; D272-Q274 VanDerWaalsContact O-N 3.16Å
273L87.2Confident94.2Very high50 Ų5077.4 Ų77.426%0.26238%0.377SS..G310 helixtrans53.334.8179.3-51.5174000112.8R250 R252 K271 E297R250-L273 HydrophobicContact CB-CD1 4.03Å; R252-L273 HydrophobicContact CB-CD2 3.68Å; K271-L273 PolarHBondContact O-N 2.96Å; L273-E297 HydrophobicContact CD1-CB 4.2Å; L273-E297 HydrophobicContact CD2-CB 4.14Å
274Q91.7Very high94.3Very high76 Ų7671 Ų7136%0.35536%0.357SS..  trans-77.3151.9-179-65.7-178.3-25.200112.1W238 V270 K271 D272 H276W238-Q274 WeakPolarHBondContact CZ2-O 3.47Å; V270-Q274 HydrophobicContact CG1-CB 4.24Å; K271-Q274 PolarHBondContact O-N 3.03Å; D272-Q274 HydrophobicContact CB-CG 4.18Å; D272-Q274 PolarHBondContact O-N 2.86Å; D272-Q274 VanDerWaalsContact O-N 3.16Å; Q274-H276 VanDerWaalsContact C-N 3.34Å
275H95.5Very high94.1Very high73 Ų7367.8 Ų67.834%0.33835%0.346SS..SBendtrans-96.116172.4-64.581.1000113.6T237 W238 D240 F253T237-H275 WeakPolarHBondContact CA-O 3.31Å; W238-H275 PolarHBondContact N-O 3.19Å; D240-H275 IonicContact OD1-CD2 3.99Å; D240-H275 IonicContact OD1-CE1 2.69Å; D240-H275 IonicContact OD1-NE2 2.67Å; D240-H275 PolarHBondContact OD1-NE2 3.04Å; D240-H275 IonicContact OD2-NE2 3.07Å; F253-H275 AromaticContact CE2-NE2 3.89Å; F253-H275 AromaticContact CZ-NE2 3.88Å
276H95.8Very high94Very high93 Ų9367.1 Ų67.143%0.43134%0.344SS..EExtended strand (participates in β ladder)trans-149.8154176.471.3-71000110.7V236 T237 Q274V236-H276 CarbonylContact O-C 3.54Å; V236-H276 WeakPolarHBondContact O-CA 3.43Å; T237-H276 HydrophobicContact CG2-CB 3.9Å; Q274-H276 VanDerWaalsContact C-N 3.34Å
277C95.3Very high94Very high25 Ų2569.6 Ų69.617%0.16935%0.347CS..EExtended strand (participates in β ladder)trans-154.7166.4168.671.40000111V236 W238 L255V236-C277 PolarHBondContact N-O 2.87Å; V236-C277 PolarHBondContact O-N 2.88Å; W238-C277 HydrophobicContact CH2-CB 4.15Å; W238-C277 HydrophobicContact CZ3-CB 4.4Å; L255-C277 VanDerWaalsContact CD1-SG 3.56Å
278V96.3Very high94Very high46 Ų4666.7 Ų66.728%0.27933%0.329SS..EExtended strand (participates in β ladder)trans-118.5123176.7-174.30000109.3V227 W233 L234 H280V227-V278 HydrophobicContact CG2-CG1 4.49Å; W233-V278 HydrophobicContact CB-CG1 4.32Å; W233-V278 HydrophobicContact CD2-CG1 4.35Å; W233-V278 HydrophobicContact CE3-CG1 4.04Å; W233-V278 HydrophobicContact CG-CG1 4.47Å; L234-V278 CarbonylContact O-C 3.56Å; L234-V278 WeakPolarHBondContact O-CA 3.41Å; V278-H280 VanDerWaalsContact CG1-CE1 3.47Å; V278-H280 WeakPolarHBondContact CG1-CE1 2.89Å; V278-H280 PolarHBondContact O-CD2 2.73Å
279I96.9Very high94.2Very high0 Ų062.1 Ų62.10%031%0.312CS..EExtended strand (participates in β ladder)trans-80.1124.7168.5-59.6165.5000107W233 L234 V236 L255 Y257 W268 D281 A282 V290W233-I279 CarbonylContact C-O 3.53Å; W233-I279 WeakPolarHBondContact CA-O 3.26Å; L234-I279 HydrophobicContact CB-CB 4.25Å; L234-I279 HydrophobicContact CB-CD1 4.32Å; L234-I279 PolarHBondContact N-O 3.17Å; L234-I279 PolarHBondContact O-N 2.88Å; V236-I279 HydrophobicContact CG2-CD1 3.86Å; V236-I279 HydrophobicContact CG2-CG1 4.32Å; L255-I279 HydrophobicContact CD2-CD1 4.4Å; Y257-I279 HydrophobicContact CD1-CD1 4.02Å; Y257-I279 HydrophobicContact CD1-CG1 4.28Å; Y257-I279 HydrophobicContact CD2-CD1 4.02Å; Y257-I279 HydrophobicContact CD2-CG2 3.92Å; Y257-I279 HydrophobicContact CE1-CG1 4.49Å; Y257-I279 HydrophobicContact CE1-CG2 4.2Å; Y257-I279 HydrophobicContact CE2-CG2 3.49Å; Y257-I279 VanDerWaalsContact CE2-CG2 3.49Å; Y257-I279 HydrophobicContact CG-CD1 3.7Å; Y257-I279 HydrophobicContact CG-CG1 4.38Å; Y257-I279 HydrophobicContact CG-CG2 4.44Å; W268-I279 HydrophobicContact CH2-CG2 4.19Å; W268-I279 HydrophobicContact CZ3-CB 4.38Å; W268-I279 HydrophobicContact CZ3-CG1 4.22Å; W268-I279 HydrophobicContact CZ3-CG2 4.27Å; I279-D281 WeakPolarHBondContact CG2-OD1 3.43Å; I279-A282 HydrophobicContact CG2-CB 4.03Å; I279-V290 HydrophobicContact CD1-CG2 4.17Å
280H96.1Very high94.4Very high100 Ų10058.1 Ų58.146%0.46329%0.292SS..SBendtrans-102.7-8.9-174.5-66.6-67.2000114.7R232 W233 V278R232-H280 WeakPolarHBondContact CB-O 3.4Å; R232-H280 CarbonylContact O-C 3.25Å; R232-H280 VanDerWaalsContact O-C 3.25Å; W233-H280 AromaticContact CD1-ND1 3.93Å; W233-H280 AromaticContact CD2-ND1 3.46Å; W233-H280 AromaticContact CE2-ND1 3.22Å; W233-H280 AromaticContact CE3-ND1 3.88Å; W233-H280 AromaticContact CG-ND1 3.96Å; W233-H280 AromaticContact CH2-CE1 3.97Å; W233-H280 AromaticContact CH2-ND1 3.91Å; W233-H280 AromaticContact CZ2-CE1 3.99Å; W233-H280 AromaticContact CZ2-ND1 3.48Å; W233-H280 WeakPolarHBondContact CZ2-ND1 3.32Å; W233-H280 AromaticContact NE1-ND1 3.52Å; V278-H280 VanDerWaalsContact CG1-CE1 3.47Å; V278-H280 WeakPolarHBondContact CG1-CE1 2.89Å; V278-H280 PolarHBondContact O-CD2 2.73Å
281D96Very high94.6Very high68 Ų6858 Ų5836%0.36429%0.291SS..SBendtrans-125.319.4-170.567.7-15.5000113.3R232 Y257 W268 I279R232-D281 PolarHBondContact NH2-O 3.43Å; R232-D281 PolarHBondContact O-N 2.98Å; Y257-D281 PolarHBondContact OH-OD1 2.92Å; Y257-D281 PolarHBondContact OH-OD2 3.14Å; W268-D281 WeakPolarHBondContact CH2-OD1 2.97Å; I279-D281 WeakPolarHBondContact CG2-OD1 3.43Å
282A96.1Very high95Very high0 Ų050.4 Ų50.40%026%0.258CS..PPolyproline II helixtrans-63.1141.7177.800000111.6R232 L234 I279 S284 P314R232-A282 VanDerWaalsContact CA-O 3.32Å; R232-A282 WeakPolarHBondContact CA-O 3.38Å; R232-A282 WeakPolarHBondContact CD-O 3.2Å; R232-A282 PolarHBondContact NE-O 2.78Å; R232-A282 PolarHBondContact NH2-O 2.89Å; R232-A282 WeakPolarHBondContact O-CB 3.26Å; R232-A282 PolarHBondContact O-N 2.79Å; L234-A282 HydrophobicContact CD1-CB 3.86Å; L234-A282 HydrophobicContact CG-CB 4.12Å; I279-A282 HydrophobicContact CG2-CB 4.03Å; A282-S284 PolarHBondContact O-N 3.49Å; A282-P314 HydrophobicContact CB-CG 3.77Å
283W95.1Very high95.6Very high111 Ų11146.6 Ų46.642%0.4223%0.233SC..PPolyproline II helixtrans-67.5120.2-175.7-64.917.8000112R232 A259 R261 G285 L286 H288R232-W283 VanDerWaalsContact NH2-CD1 3.3Å; A259-W283 HydrophobicContact CB-CD2 4.26Å; A259-W283 HydrophobicContact CB-CE3 4.15Å; R261-W283 VanDerWaalsContact NH2-CE3 3.3Å; W283-G285 PolarHBondContact O-N 2.86Å; W283-L286 HydrophobicContact CB-CB 4.26Å; W283-L286 HydrophobicContact CB-CD1 3.78Å; W283-L286 HydrophobicContact CB-CG 4.32Å; W283-L286 HydrophobicContact CD2-CD1 4.33Å; W283-L286 HydrophobicContact CE3-CD1 3.58Å; W283-L286 HydrophobicContact CG-CD1 4.47Å; W283-L286 PolarHBondContact O-N 3.1Å; W283-L286 VanDerWaalsContact O-N 3.15Å; W283-H288 PolarHBondContact N-CE1 3.15Å; W283-H288 PolarHBondContact N-NE2 2.82Å; W283-H288 PolarHBondContact O-CE1 2.86Å; W283-H288 VanDerWaalsContact O-CE1 3.25Å
284S94.6Very high96.1Very high63 Ų6344.2 Ų44.244%0.44122%0.221SC..THydrogen-bonded Turntrans-55.1133.3-176.5-178.50000112P231 A282 L286P231-S284 VanDerWaalsContact O-CA 3.27Å; P231-S284 WeakPolarHBondContact O-CA 3.24Å; P231-S284 WeakPolarHBondContact O-CB 3.43Å; A282-S284 PolarHBondContact O-N 3.49Å; S284-L286 PolarHBondContact O-N 3.2Å
285G91.6Very high96.3Very high39 Ų3941.2 Ų41.240%0.40221%0.207SC..THydrogen-bonded Turntrans69.82.7178.200000115.9W283W283-G285 PolarHBondContact O-N 2.86Å
286L94.6Very high96.2Very high48 Ų4837.8 Ų37.825%0.25119%0.191SC..  trans-106.3144.9179.9-61.4-178.5000112.1W283 S284 H288 P314W283-L286 HydrophobicContact CB-CB 4.26Å; W283-L286 HydrophobicContact CB-CD1 3.78Å; W283-L286 HydrophobicContact CB-CG 4.32Å; W283-L286 HydrophobicContact CD2-CD1 4.33Å; W283-L286 HydrophobicContact CE3-CD1 3.58Å; W283-L286 HydrophobicContact CG-CD1 4.47Å; W283-L286 PolarHBondContact O-N 3.1Å; W283-L286 VanDerWaalsContact O-N 3.15Å; S284-L286 PolarHBondContact O-N 3.2Å; L286-H288 PolarHBondContact O-CE1 3.32Å; L286-H288 VanDerWaalsContact O-CE1 3.31Å; L286-H288 PolarHBondContact O-ND1 2.92Å; L286-P314 WeakPolarHBondContact O-CD 3.48Å
287R96.9Very high96.2Very high111 Ų11135.6 Ų35.642%0.41918%0.181SC..  trans-67.5135.5169.8-69.5170.466.488.90109.8E260 M311 T313E260-R287 HydrophobicContact CB-CB 4.21Å; E260-R287 WeakPolarHBondContact CB-O 3.37Å; E260-R287 PolarHBondContact N-O 3.09Å; E260-R287 IonicContact OE1-NE 3.12Å; E260-R287 PolarHBondContact OE1-NE 3.45Å; E260-R287 VanDerWaalsContact OE1-NE 3.12Å; E260-R287 IonicContact OE2-NE 3.9Å; R287-M311 PolarHBondContact NH2-SD 2.84Å; R287-T313 WeakPolarHBondContact CG-OG1 3.29Å
288H97.6Very high96Very high2 Ų242.3 Ų42.31%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-117.5144176-7065.4000109.7L234 R258 W283 L286 M311 G312L234-H288 HydrophobicContact CD1-CB 3.87Å; R258-H288 CarbonylContact O-C 3.56Å; R258-H288 WeakPolarHBondContact O-CA 3.28Å; R258-H288 WeakPolarHBondContact O-CB 3.28Å; W283-H288 PolarHBondContact N-CE1 3.15Å; W283-H288 PolarHBondContact N-NE2 2.82Å; W283-H288 PolarHBondContact O-CE1 2.86Å; W283-H288 VanDerWaalsContact O-CE1 3.25Å; L286-H288 PolarHBondContact O-CE1 3.32Å; L286-H288 VanDerWaalsContact O-CE1 3.31Å; L286-H288 PolarHBondContact O-ND1 2.92Å; H288-M311 VanDerWaalsContact O-CA 3.25Å; H288-M311 WeakPolarHBondContact O-CA 3.16Å; H288-G312 PolarHBondContact N-O 2.04Å; H288-G312 PolarHBondContact O-N 2.98Å
289V97.9Very high95.7Very high2 Ų241.5 Ų41.51%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-99.6134.1169.8174.70000107.7Y257 R258 F265 E309 A310 M311Y257-V289 CarbonylContact C-O 3.6Å; Y257-V289 WeakPolarHBondContact CA-O 3.28Å; Y257-V289 WeakPolarHBondContact CB-O 3.22Å; R258-V289 HydrophobicContact CG-CB 4.25Å; R258-V289 PolarHBondContact N-O 2.95Å; R258-V289 PolarHBondContact O-N 3.02Å; F265-V289 HydrophobicContact CE1-CG1 4.49Å; V289-E309 HydrophobicContact CG1-CB 3.78Å; V289-E309 HydrophobicContact CG1-CG 3.68Å; V289-E309 WeakPolarHBondContact CG1-OE2 3.32Å; V289-A310 CarbonylContact C-O 3.56Å; V289-A310 WeakPolarHBondContact CA-O 3.5Å; V289-M311 HydrophobicContact CG2-CG 4.2Å
290V98Very high95.4Very high0 Ų044.5 Ų44.50%022%0.223CC..EExtended strand (participates in β ladder)trans-128.1136.9179.6-174.40000108.7V224 V236 L255 R256 I279 L292 A310V224-V290 HydrophobicContact CG1-CG2 4.1Å; V224-V290 HydrophobicContact CG2-CB 3.9Å; V224-V290 HydrophobicContact CG2-CG1 4.48Å; V224-V290 HydrophobicContact CG2-CG2 3.81Å; V236-V290 HydrophobicContact CG1-CG1 4.06Å; V236-V290 HydrophobicContact CG2-CG1 4.28Å; L255-V290 HydrophobicContact CD1-CG1 3.82Å; L255-V290 HydrophobicContact CD2-CG1 4.38Å; L255-V290 HydrophobicContact CG-CG1 4.03Å; R256-V290 WeakPolarHBondContact O-CA 3.37Å; I279-V290 HydrophobicContact CD1-CG2 4.17Å; V290-L292 HydrophobicContact CG1-CD1 4.22Å; V290-A310 PolarHBondContact N-O 3.48Å; V290-A310 PolarHBondContact O-N 2.82Å
291Q98.1Very high95.1Very high15 Ų1540.5 Ų40.57%0.0721%0.209CC..EExtended strand (participates in β ladder)trans-137151.2172.3-66.6177.8-72.200109.6R256 W306 S307 E309R256-Q291 HydrophobicContact CG-CB 4.04Å; R256-Q291 VanDerWaalsContact CZ-OE1 3.23Å; R256-Q291 PolarHBondContact N-O 2.81Å; R256-Q291 PolarHBondContact O-N 3.28Å; Q291-W306 HydrophobicContact CB-CE3 3.79Å; Q291-W306 HydrophobicContact CB-CZ3 4.5Å; Q291-S307 WeakPolarHBondContact CA-OG 3.29Å; Q291-S307 PolarHBondContact NE2-O 3.04Å; Q291-E309 HydrophobicContact CG-CG 4.04Å
292L97.9Very high95.1Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-127.2154.7173.2-71.696.5000110.8P219 I222 V236 W238 F253 E254 L255 V290 S307P219-L292 HydrophobicContact CB-CB 4.29Å; P219-L292 HydrophobicContact CG-CB 3.9Å; I222-L292 HydrophobicContact CD1-CB 4.2Å; I222-L292 HydrophobicContact CD1-CD1 3.76Å; I222-L292 HydrophobicContact CG1-CD1 4.08Å; I222-L292 HydrophobicContact CG2-CD1 3.77Å; V236-L292 HydrophobicContact CG1-CD1 4.11Å; W238-L292 HydrophobicContact CD2-CD2 3.36Å; W238-L292 VanDerWaalsContact CE2-CD2 3.43Å; W238-L292 HydrophobicContact CE3-CD1 4.26Å; W238-L292 HydrophobicContact CE3-CD2 3.5Å; W238-L292 HydrophobicContact CG-CD2 3.95Å; W238-L292 HydrophobicContact CH2-CD2 3.82Å; W238-L292 HydrophobicContact CZ2-CD2 3.65Å; W238-L292 HydrophobicContact CZ3-CD2 3.75Å; F253-L292 HydrophobicContact CB-CD2 4.3Å; E254-L292 VanDerWaalsContact O-CA 3.32Å; E254-L292 WeakPolarHBondContact O-CA 3.47Å; L255-L292 HydrophobicContact CB-CD2 4.3Å; L255-L292 HydrophobicContact CB-CG 4.11Å; L255-L292 HydrophobicContact CD1-CD1 4.01Å; L255-L292 HydrophobicContact CD1-CD2 4.24Å; L255-L292 HydrophobicContact CD1-CG 4.07Å; L255-L292 HydrophobicContact CG-CD1 4.46Å; L255-L292 HydrophobicContact CG-CG 4.2Å; V290-L292 HydrophobicContact CG1-CD1 4.22Å; L292-S307 PolarHBondContact N-OG 3.34Å; L292-S307 VanDerWaalsContact O-CB 3.31Å; L292-S307 WeakPolarHBondContact O-CB 3.41Å; L292-S307 PolarHBondContact O-N 2.85Å; L292-S307 PolarHBondContact O-OG 2.64Å
293R98.2Very high95.1Very high56 Ų5645 Ų4521%0.21123%0.225CC..EExtended strand (participates in β ladder)trans-135.7160.4164.560.4177.2-176.5162.12.4109.9F253 E254 W303 S304 W306F253-R293 WeakPolarHBondContact CA-O 3.1Å; E254-R293 HydrophobicContact CB-CG 4.06Å; E254-R293 PolarHBondContact N-O 2.94Å; E254-R293 PolarHBondContact O-N 2.88Å; E254-R293 IonicContact OE1-NH2 3.75Å; E254-R293 IonicContact OE2-CZ 3.55Å; E254-R293 IonicContact OE2-NE 3.55Å; E254-R293 PolarHBondContact OE2-NE 1.99Å; E254-R293 IonicContact OE2-NH2 2.73Å; E254-R293 PolarHBondContact OE2-NH2 2.92Å; R293-W303 HydrophobicContact CB-CE3 4.37Å; R293-W303 HydrophobicContact CG-CD2 4.4Å; R293-W303 HydrophobicContact CG-CE3 3.65Å; R293-W303 HydrophobicContact CG-CZ3 4.14Å; R293-S304 WeakPolarHBondContact CB-O 3.04Å; R293-W306 HydrophobicContact CB-CD2 4.3Å; R293-W306 HydrophobicContact CB-CE3 4.13Å; R293-W306 HydrophobicContact CB-CZ3 4.41Å; R293-W306 HydrophobicContact CG-CD2 4.15Å; R293-W306 HydrophobicContact CG-CE3 3.98Å; R293-W306 HydrophobicContact CG-CH2 3.86Å; R293-W306 HydrophobicContact CG-CZ2 4.03Å; R293-W306 HydrophobicContact CG-CZ3 3.83Å; R293-W306 VanDerWaalsContact NE-CZ2 3.32Å
294A97.4Very high95.2Very high0 Ų039.8 Ų39.80%021%0.206CC..EExtended strand (participates in β ladder)trans-122.2150.3-174.700000111.1P219 L251 R252 F253 S304P219-A294 HydrophobicContact CG-CB 4.06Å; L251-A294 HydrophobicContact CB-CB 4.34Å; L251-A294 HydrophobicContact CD1-CB 4.04Å; L251-A294 HydrophobicContact CD2-CB 4.22Å; L251-A294 HydrophobicContact CG-CB 4.44Å; R252-A294 WeakPolarHBondContact O-CA 3.42Å; F253-A294 HydrophobicContact CD1-CB 3.84Å; F253-A294 HydrophobicContact CE1-CB 3.76Å; A294-S304 PolarHBondContact N-OG 2.89Å; A294-S304 PolarHBondContact O-N 2.93Å; A294-S304 PolarHBondContact O-OG 3.34Å
295Q96.3Very high95.4Very high13 Ų1343 Ų436%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-140.7157.9167.3-171.9177.13800107.6L251 R252 G301 W303L251-Q295 CarbonylContact C-O 3.59Å; L251-Q295 VanDerWaalsContact CA-O 3.32Å; L251-Q295 WeakPolarHBondContact CA-O 3.35Å; L251-Q295 WeakPolarHBondContact CD2-O 3.49Å; R252-Q295 HydrophobicContact CG-CB 4.1Å; R252-Q295 WeakPolarHBondContact CG-O 3.42Å; R252-Q295 PolarHBondContact N-O 3.1Å; R252-Q295 VanDerWaalsContact NE-OE1 3.09Å; R252-Q295 PolarHBondContact O-N 2.57Å; Q295-G301 PolarHBondContact NE2-O 3.25Å; Q295-W303 HydrophobicContact CB-CD2 3.7Å; Q295-W303 HydrophobicContact CB-CE3 3.56Å; Q295-W303 HydrophobicContact CB-CG 4.3Å; Q295-W303 HydrophobicContact CB-CH2 4.13Å; Q295-W303 HydrophobicContact CB-CZ2 4.26Å; Q295-W303 HydrophobicContact CB-CZ3 3.78Å; Q295-W303 HydrophobicContact CG-CD2 4.42Å; Q295-W303 VanDerWaalsContact OE1-CE2 3.23Å
296E94.5Very high95.7Very high1 Ų143.8 Ų43.81%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-56.9144.9170.4-169.3-75.3147.200110.9L214 W244 F298 G299 Q300L214-E296 HydrophobicContact CD2-CB 3.8Å; L214-E296 HydrophobicContact CD2-CG 3.92Å; W244-E296 HydrophobicContact CH2-CB 4.15Å; W244-E296 HydrophobicContact CH2-CG 4.06Å; E296-F298 VanDerWaalsContact C-N 3.3Å; E296-F298 PolarHBondContact O-N 2.55Å; E296-F298 WeakPolarHBondContact OE1-CD2 3.27Å; E296-F298 PolarHBondContact OE1-N 2.85Å; E296-F298 WeakPolarHBondContact OE2-CA 3.48Å; E296-F298 WeakPolarHBondContact OE2-CB 3.5Å; E296-F298 PolarHBondContact OE2-N 3.48Å; E296-G299 PolarHBondContact O-N 2.85Å; E296-G299 PolarHBondContact OE2-N 2.73Å; E296-Q300 HydrophobicContact CB-CB 4.28Å; E296-Q300 HydrophobicContact CG-CB 4.2Å; E296-Q300 VanDerWaalsContact OE2-CB 3.29Å; E296-Q300 WeakPolarHBondContact OE2-CB 3.27Å; E296-Q300 PolarHBondContact OE2-N 3.09Å; E296-Q300 VanDerWaalsContact OE2-N 3.07Å
297E94Very high95.8Very high47 Ų4741.5 Ų41.522%0.2219%0.193CC..THydrogen-bonded Turntrans-57.9-34.7-168.962.2-179.8104.900114.6R250 L273 G299R250-E297 WeakPolarHBondContact CA-OE1 3.36Å; R250-E297 HydrophobicContact CB-CB 4.35Å; R250-E297 VanDerWaalsContact CB-OE1 3.25Å; R250-E297 WeakPolarHBondContact CB-OE1 3.31Å; R250-E297 PolarHBondContact N-OE1 2.84Å; R250-E297 WeakPolarHBondContact O-CB 3.43Å; R250-E297 PolarHBondContact O-N 2.96Å; L273-E297 HydrophobicContact CD1-CB 4.2Å; L273-E297 HydrophobicContact CD2-CB 4.14Å; E297-G299 VanDerWaalsContact C-N 3.28Å
298F91.6Very high95.9Very high166 Ų16641.4 Ų41.473%0.72821%0.207SC*.THydrogen-bonded Turntrans-88.15.1177.3-57.7-63.8000113.1E296 Q300E296-F298 VanDerWaalsContact C-N 3.3Å; E296-F298 PolarHBondContact O-N 2.55Å; E296-F298 WeakPolarHBondContact OE1-CD2 3.27Å; E296-F298 PolarHBondContact OE1-N 2.85Å; E296-F298 WeakPolarHBondContact OE2-CA 3.48Å; E296-F298 WeakPolarHBondContact OE2-CB 3.5Å; E296-F298 PolarHBondContact OE2-N 3.48Å; F298-Q300 VanDerWaalsContact C-N 3.34Å
299G90.5Very high95.9Very high30 Ų3046.2 Ų46.231%0.30923%0.23SC..  trans75.624-179.300000113E296 E297E296-G299 PolarHBondContact O-N 2.85Å; E296-G299 PolarHBondContact OE2-N 2.73Å; E297-G299 VanDerWaalsContact C-N 3.28Å
300Q89.9Confident95.8Very high63 Ų6346.9 Ų46.929%0.29424%0.235SC..  trans-73.3133.7174.8-173.5174.153.500111.2C211 L214 E296 F298C211-Q300 WeakPolarHBondContact O-CG 3.27Å; L214-Q300 HydrophobicContact CD2-CG 4.48Å; E296-Q300 HydrophobicContact CB-CB 4.28Å; E296-Q300 HydrophobicContact CG-CB 4.2Å; E296-Q300 VanDerWaalsContact OE2-CB 3.29Å; E296-Q300 WeakPolarHBondContact OE2-CB 3.27Å; E296-Q300 PolarHBondContact OE2-N 3.09Å; E296-Q300 VanDerWaalsContact OE2-N 3.07Å; F298-Q300 VanDerWaalsContact C-N 3.34Å
301G91.3Very high95.8Very high16 Ų1651.4 Ų51.417%0.16526%0.257CS..SBendtrans69.3-156.1-179.200000113.4L214 Q295L214-G301 CarbonylContact O-C 3.55Å; L214-G301 VanDerWaalsContact O-CA 3.3Å; L214-G301 WeakPolarHBondContact O-CA 3.12Å; Q295-G301 PolarHBondContact NE2-O 3.25Å
302E94.1Very high95.7Very high120 Ų12051.1 Ų51.156%0.56126%0.259SS*.PPolyproline II helixtrans-100.9158.3-171.6-64.9-60.4153.700112.5L214 Q215L214-E302 PolarHBondContact O-N 2.87Å; Q215-E302 HydrophobicContact CB-CB 4.41Å; Q215-E302 HydrophobicContact CG-CB 4.13Å
303W96.8Very high95.6Very high41 Ų4153.8 Ų53.816%0.15528%0.275CS..PPolyproline II helixtrans-65143.7167.5-74.593.6000110.6Q215 R252 E254 M269 R293 Q295Q215-W303 PolarHBondContact NE2-O 3.37Å; Q215-W303 VanDerWaalsContact NE2-O 3.14Å; R252-W303 HydrophobicContact CG-CH2 4.2Å; R252-W303 VanDerWaalsContact NH2-CZ2 3.34Å; E254-W303 HydrophobicContact CB-CE3 4.43Å; E254-W303 HydrophobicContact CB-CH2 3.67Å; E254-W303 HydrophobicContact CB-CZ2 4.41Å; E254-W303 HydrophobicContact CB-CZ3 3.69Å; M269-W303 HydrophobicContact CE-CH2 3.81Å; M269-W303 HydrophobicContact CE-CZ2 4.23Å; M269-W303 HydrophobicContact SD-CH2 3.7Å; M269-W303 HydrophobicContact SD-CZ2 3.97Å; R293-W303 HydrophobicContact CB-CE3 4.37Å; R293-W303 HydrophobicContact CG-CD2 4.4Å; R293-W303 HydrophobicContact CG-CE3 3.65Å; R293-W303 HydrophobicContact CG-CZ3 4.14Å; Q295-W303 HydrophobicContact CB-CD2 3.7Å; Q295-W303 HydrophobicContact CB-CE3 3.56Å; Q295-W303 HydrophobicContact CB-CG 4.3Å; Q295-W303 HydrophobicContact CB-CH2 4.13Å; Q295-W303 HydrophobicContact CB-CZ2 4.26Å; Q295-W303 HydrophobicContact CB-CZ3 3.78Å; Q295-W303 HydrophobicContact CG-CD2 4.42Å; Q295-W303 VanDerWaalsContact OE1-CE2 3.23Å
304S97.7Very high95.6Very high3 Ų351.2 Ų51.22%0.02127%0.266CS..PPolyproline II helixtrans-64.8161.616771.50000111.2P216 R293 A294P216-S304 WeakPolarHBondContact O-CB 3.5Å; R293-S304 WeakPolarHBondContact CB-O 3.04Å; A294-S304 PolarHBondContact N-OG 2.89Å; A294-S304 PolarHBondContact O-N 2.93Å; A294-S304 PolarHBondContact O-OG 3.34Å
305E97.8Very high95.4Very high130 Ų13054.5 Ų54.561%0.60728%0.278SS*.PPolyproline II helixtrans-58.7155.2167.2-68.8-57.4134.600110.5P218 S307P218-E305 WeakPolarHBondContact CB-O 3.25Å; P218-E305 HydrophobicContact CG-CB 4.09Å; P218-E305 WeakPolarHBondContact CG-O 3.4Å; E305-S307 PolarHBondContact O-N 2.91Å
306W98.1Very high95Very high55 Ų5557 Ų5721%0.20829%0.294CS..PPolyproline II helixtrans-63.5137.3172.3-69.593.8000110.1E254 R256 T267 Q291 R293E254-W306 HydrophobicContact CB-CH2 4.48Å; E254-W306 HydrophobicContact CG-CH2 4.21Å; E254-W306 VanDerWaalsContact OE2-CH2 3.26Å; E254-W306 WeakPolarHBondContact OE2-CH2 3.39Å; E254-W306 WeakPolarHBondContact OE2-CZ2 3.18Å; R256-W306 HydrophobicContact CB-CH2 3.84Å; R256-W306 HydrophobicContact CB-CZ3 3.9Å; R256-W306 HydrophobicContact CG-CD2 4.42Å; R256-W306 HydrophobicContact CG-CE3 3.83Å; R256-W306 HydrophobicContact CG-CH2 3.73Å; R256-W306 HydrophobicContact CG-CZ2 4.33Å; R256-W306 HydrophobicContact CG-CZ3 3.45Å; R256-W306 VanDerWaalsContact CG-CZ3 3.45Å; R256-W306 VanDerWaalsContact CZ-CD2 3.49Å; R256-W306 VanDerWaalsContact NH1-CE2 3.3Å; R256-W306 VanDerWaalsContact NH1-NE1 3.16Å; T267-W306 HydrophobicContact CG2-CH2 4.43Å; Q291-W306 HydrophobicContact CB-CE3 3.79Å; Q291-W306 HydrophobicContact CB-CZ3 4.5Å; R293-W306 HydrophobicContact CB-CD2 4.3Å; R293-W306 HydrophobicContact CB-CE3 4.13Å; R293-W306 HydrophobicContact CB-CZ3 4.41Å; R293-W306 HydrophobicContact CG-CD2 4.15Å; R293-W306 HydrophobicContact CG-CE3 3.98Å; R293-W306 HydrophobicContact CG-CH2 3.86Å; R293-W306 HydrophobicContact CG-CZ2 4.03Å; R293-W306 HydrophobicContact CG-CZ3 3.83Å; R293-W306 VanDerWaalsContact NE-CZ2 3.32Å
307S98.1Very high94.3Very high1 Ų162.5 Ų62.51%0.00732%0.324CS..PPolyproline II helixtrans-57160.4172.569.50000111.6I222 Q291 L292 E305I222-S307 WeakPolarHBondContact CD1-OG 3.04Å; Q291-S307 WeakPolarHBondContact CA-OG 3.29Å; Q291-S307 PolarHBondContact NE2-O 3.04Å; L292-S307 PolarHBondContact N-OG 3.34Å; L292-S307 VanDerWaalsContact O-CB 3.31Å; L292-S307 WeakPolarHBondContact O-CB 3.41Å; L292-S307 PolarHBondContact O-N 2.85Å; L292-S307 PolarHBondContact O-OG 2.64Å; E305-S307 PolarHBondContact O-N 2.91Å
308P97.7Very high92.7Very high108 Ų10870.8 Ų70.870%0.70135%0.353SS*.PPolyproline II helixtrans-51.2150.8163.8-25.235.4000111.6A310P308-A310 PolarHBondContact O-N 3.48Å
309E97.1Very high90.8Very high104 Ų10469.8 Ų69.849%0.48635%0.354SS..PPolyproline II helixtrans-66.9116.5-179.1-69.1-171.6-171.900111.1R258 V289 Q291R258-E309 IonicContact NH2-OE2 2.85Å; V289-E309 HydrophobicContact CG1-CB 3.78Å; V289-E309 HydrophobicContact CG1-CG 3.68Å; V289-E309 WeakPolarHBondContact CG1-OE2 3.32Å; Q291-E309 HydrophobicContact CG-CG 4.04Å
310A97.3Very high88.6Confident15 Ų1572.1 Ų72.112%0.12437%0.366CS..EExtended strand (participates in β ladder)trans-96.7141.4170.400000109.7I222 V224 V289 V290 P308I222-A310 HydrophobicContact CB-CB 4.09Å; I222-A310 HydrophobicContact CG2-CB 3.64Å; V224-A310 HydrophobicContact CG2-CB 3.87Å; V289-A310 CarbonylContact C-O 3.56Å; V289-A310 WeakPolarHBondContact CA-O 3.5Å; V290-A310 PolarHBondContact N-O 3.48Å; V290-A310 PolarHBondContact O-N 2.82Å; P308-A310 PolarHBondContact O-N 3.48Å
311M97.3Very high86.4Confident95 Ų9575 Ų7547%0.46839%0.391SS..EExtended strand (participates in β ladder)trans-121.5143.8-174.9-67.8179.1-76.900112.3R287 H288 V289R287-M311 PolarHBondContact NH2-SD 2.84Å; H288-M311 VanDerWaalsContact O-CA 3.25Å; H288-M311 WeakPolarHBondContact O-CA 3.16Å; V289-M311 HydrophobicContact CG2-CG 4.2Å
312G95.8Very high84.1Confident10 Ų1085.3 Ų85.310%0.10342%0.424CS..EExtended strand (participates in β ladder)trans-153.2157.2174.100000112.3H288H288-G312 PolarHBondContact N-O 2.04Å; H288-G312 PolarHBondContact O-N 2.98Å
313T96.9Very high81.4Confident55 Ų5584.6 Ų84.634%0.33743%0.431SS..  trans-121.5130.3176-52.40000108.5A226 R287A226-T313 WeakPolarHBondContact CB-O 3.35Å; R287-T313 WeakPolarHBondContact CG-OG1 3.29Å
314P96.4Very high78.9Confident3 Ų389.4 Ų89.42%0.01947%0.468CS..  trans-58.1160.9177-24.634.2000112.3P231 L234 A282 L286 T316P231-P314 WeakPolarHBondContact O-CB 3.21Å; L234-P314 HydrophobicContact CD1-CG 4.24Å; L234-P314 HydrophobicContact CD2-CB 4.48Å; L234-P314 HydrophobicContact CD2-CG 4.19Å; L234-P314 HydrophobicContact CG-CG 4.05Å; A282-P314 HydrophobicContact CB-CG 3.77Å; L286-P314 WeakPolarHBondContact O-CD 3.48Å; P314-T316 PolarHBondContact O-N 3.31Å
315W94.4Very high76.4Confident69 Ų6991.8 Ų91.826%0.26149%0.493SS..  trans-58.1134.6179.5177.184.5000110.3A226 V227 P231 D317A226-W315 HydrophobicContact CB-CB 4.2Å; V227-W315 VanDerWaalsContact O-CB 3.23Å; V227-W315 WeakPolarHBondContact O-CB 3.2Å; P231-W315 VanDerWaalsContact CA-O 3.29Å; P231-W315 WeakPolarHBondContact CA-O 3.4Å; P231-W315 HydrophobicContact CB-CE3 4.45Å; W315-D317 HydrophobicContact CH2-CB 3.34Å; W315-D317 HydrophobicContact CZ2-CB 3.85Å; W315-D317 HydrophobicContact CZ3-CB 3.87Å
316T88.4Confident73.8Confident64 Ų6496 Ų9639%0.39350%0.503SS..  trans-118.8134170.744.30000107P314 R318P314-T316 PolarHBondContact O-N 3.31Å; T316-R318 PolarHBondContact O-N 3.36Å
317D79.1Confident71.2Confident117 Ų11798.1 Ų98.163%0.62653%0.527SS*.  trans-68.790.5166.5-146.3-4.3000105.7W315 L319W315-D317 HydrophobicContact CH2-CB 3.34Å; W315-D317 HydrophobicContact CZ2-CB 3.85Å; W315-D317 HydrophobicContact CZ3-CB 3.87Å; D317-L319 PolarHBondContact O-N 3.37Å
318R61.2Low68.4Low221 Ų221103.3 Ų103.383%0.83456%0.559SS**  trans-65.590.7158.3-71.6-166.1-179.2-154.62.2103.7T316 S320T316-R318 PolarHBondContact O-N 3.36Å; R318-S320 VanDerWaalsContact C-N 3.32Å; R318-S320 PolarHBondContact O-N 3.27Å
319L51.1Low65.9Low145 Ų145101.1 Ų101.176%0.75955%0.55SS*.  trans-39.1115.9144-74.9167.8000104.4D317D317-L319 PolarHBondContact O-N 3.37Å
320S44.4Very low63.3Low79 Ų79100.9 Ų100.955%0.55256%0.555SS**  trans-26.9140.7160.534.40000109.5R318 R322R318-S320 VanDerWaalsContact C-N 3.32Å; R318-S320 PolarHBondContact O-N 3.27Å; S320-R322 PolarHBondContact O-N 3.14Å
321P43.6Very low60.7Low125 Ų125107.1 Ų107.181%0.81258%0.582SS**SBendtrans-47.8116.4170.722.4-30.8000105.5C323P321-C323 PolarHBondContact O-N 3.24Å
322R42.8Very low58.3Low232 Ų232105.8 Ų105.888%0.87558%0.582SS**  trans-36.2118.9-177.9-79.3175.6-118.3-109.1-3.1106.6S320 P324S320-R322 PolarHBondContact O-N 3.14Å; R322-P324 WeakPolarHBondContact O-CD 3.08Å
323C37.5Very low56Low104 Ų104112.7 Ų112.770%0.70361%0.612SS**  trans-44.1116.6169.4-66.10000106.6P321 G325P321-C323 PolarHBondContact O-N 3.24Å; C323-G325 PolarHBondContact O-N 3.48Å
324P43.6Very low53.6Low142 Ų142116.2 Ų116.292%0.92263%0.627SS**THydrogen-bonded Turntrans-77.455.9-179.529.5-31.1000109.5R322R322-P324 WeakPolarHBondContact O-CD 3.08Å
325G44.9Very low51.1Low54 Ų54120.7 Ų120.756%0.55766%0.655SS**THydrogen-bonded Turntrans-144.50-164.700000116.6C323C323-G325 PolarHBondContact O-N 3.48Å
326W43.3Very low48.7Very low217 Ų217121 Ų12182%0.82267%0.672SS**SBendtrans-121.128.1-179.3-151-16000114.9
327S44.2Very low46.5Very low100 Ų100122.7 Ų122.770%0.69968%0.683SS**SBendtrans-113.5-0.5173.9-44.20000114.2
328T40.2Very low45Very low110 Ų110121.4 Ų121.468%0.67568%0.683SS**SBendtrans-118.7-9.5-172.237.90000115.7
329A43.4Very low44.3Very low63 Ų63115.3 Ų115.352%0.52168%0.679SS.*SBendtrans-89.4-18.2179.300000114.8
330V44.6Very low44.2Very low98 Ų98112.7 Ų112.759%0.59467%0.674SS**SBendtrans-96.1-15.1-179.2-177.30000112.2
331Q42.4Very low44.2Very low146 Ų146119.8 Ų119.868%0.68269%0.688SS**SBendtrans-95-13.6-179-138.9156.3-13.500113.7T335Q331-T335 PolarHBondContact O-OG1 3.32Å
332S46.4Very low44.1Very low68 Ų68120.3 Ų120.348%0.47669%0.689SS.*SBendtrans-88.8-16.5174.5600000114.2
333Q46.8Very low44.2Very low155 Ų155118.3 Ų118.372%0.72469%0.69SS**SBendtrans-89.6-13.2172.8-75.8-172.7-24.700114T337Q333-T337 PolarHBondContact O-OG1 2.97Å
334L47.7Very low44.5Very low128 Ų128117.9 Ų117.967%0.6769%0.694SS**SBendtrans-96.7-0.2175.5-79.4161.1000113.9
335T43.1Very low44.3Very low97 Ų97119.4 Ų119.460%0.59569%0.692SS**SBendtrans-115.5-3.117339.50000113.8Q331Q331-T335 PolarHBondContact O-OG1 3.32Å
336A43.3Very low44.1Very low75 Ų75124.7 Ų124.762%0.6271%0.707SS**SBendtrans-96.4-7.4174.200000114.3
337T43.2Very low44.2Very low101 Ų101119.4 Ų119.462%0.6270%0.7SS**SBendtrans-105.9-3.917739.90000114.2Q333Q333-T337 PolarHBondContact O-OG1 2.97Å
338S47.5Very low44.3Very low89 Ų89120.7 Ų120.762%0.62271%0.706SS**SBendtrans-98.5-1.217764.60000114.8
339A46.2Very low45Very low93 Ų93124.4 Ų124.477%0.76972%0.716SS**SBendtrans-108.311.3-179.100000114.9
340S49.9Very low45.3Very low91 Ų91126.9 Ų126.964%0.63673%0.727SS**SBendtrans-11810.7177.677.60000116
341W43.6Very low45.7Very low227 Ų227128.1 Ų128.186%0.8674%0.737SS**SBendtrans-118.516.6179-85.589.6000115.5
342V42.3Very low45.5Very low137 Ų137134.6 Ų134.683%0.8376%0.763SS**  trans-109.972.1167.5-170.20000109.5
343Q44.1Very low45.4Very low190 Ų190137.9 Ų137.989%0.88878%0.777SS**SBendtrans-161.8135.7148.3-109.4171.26.700109.8
344A43.3Very low45.4Very low95 Ų95137 Ų13779%0.78578%0.78SS**  trans85.979171.900000118.1
345I40.1Very low45.2Very low174 Ų174137.5 Ų137.589%0.89279%0.786SS**  trans-142.594.3134.8-50.8-179.8000108.6
346L41.6Very low45.4Very low165 Ų165139.9 Ų139.986%0.86480%0.797SS**PPolyproline II helixtrans-93.4135.1160.4-107.3135.3000107.3
347P45.2Very low45.5Very low105 Ų105143.9 Ų143.968%0.68281%0.808SS**PPolyproline II helixtrans-77.8146.1177.131.4-32.4000111
348P46.2Very low45.6Very low128 Ų128146.8 Ų146.883%0.83182%0.821SS**PPolyproline II helixtrans-77.4137.617430.7-30.4000110.8
349Q55Low45.5Very low187 Ų187150.9 Ų150.987%0.87484%0.835SS**PPolyproline II helixtrans-77.8150.2172-80.3-157-27.400112.1
350P50Low45.5Very low115 Ų115155.4 Ų155.475%0.74784%0.84SS**PPolyproline II helixtrans-82.2156.3177.633.2-33.6000112.9
351P51.6Low45.1Very low124 Ų124160.8 Ų160.881%0.80586%0.857SS**PPolyproline II helixtrans-86.6157.4-169.734.4-35.2000114.4
352K38.3Very low45.2Very low282 Ų282154.7 Ų154.7100%1.22686%0.857SS**  trans-132.60142-91.6-171.1179177.60109.1

Retrieved 352 of 352 residues in 110.5 ms (Link to these results)