A0A096MLS0_PAPAN Loading...

Interleukin-18-binding protein

AlphaFold DB , UniProt , Accession A0A096MLS0, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 207 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
1M43.1Very low49.8Very low247 Ų247159 Ų159100%1.21778%0.775SS**  0110.80-67.3178.9-175.900108.6
2R40.2Very low50.4Low238 Ų238156.3 Ų156.390%0.89877%0.765SS**  trans-136.6112.4166.7-72.7-170-175.2-131.82.3106.4
3H47.7Very low50.7Low184 Ų184159.2 Ų159.285%0.85276%0.763SS**  trans-88.1113.9169.2-81.6-16.3000107.9W5H3-W5 PolarHBondContact O-N 3.25Å
4N43.2Very low51.2Low155 Ų155155.2 Ų155.283%0.82975%0.753SS**  trans-79109165.3-79-32.6000107.4
5W44.6Very low51.8Low238 Ų238152.1 Ų152.190%0.90274%0.741SS**  trans-87.8109169.3-111.263.2000108.3H3H3-W5 PolarHBondContact O-N 3.25Å
6T54.4Low52.3Low125 Ų125149.5 Ų149.577%0.76773%0.731SS**PPolyproline II helixtrans-85.3122.2163.730.30000108.6D8T6-D8 PolarHBondContact O-N 3.01Å
7P48.9Very low52.7Low109 Ų109144.4 Ų144.471%0.70871%0.712SS**PPolyproline II helixtrans-64.7132.5173.624.8-30000109.9L9P7-L9 PolarHBondContact O-N 3.49Å
8D53.2Low52.9Low102 Ų102139 Ų13955%0.54570%0.695SS.*PPolyproline II helixtrans-63.7118.2-175.5-168.3-10.9000110.7T6 S10 F11T6-D8 PolarHBondContact O-N 3.01Å; D8-S10 PolarHBondContact O-N 2.9Å; D8-S10 WeakPolarHBondContact OD1-CB 3.34Å; D8-S10 PolarHBondContact OD1-N 3.13Å; D8-S10 VanDerWaalsContact OD1-N 3.1Å; D8-S10 PolarHBondContact OD1-OG 3.03Å; D8-S10 PolarHBondContact OD2-OG 3.09Å; D8-S10 VanDerWaalsContact OD2-OG 3.11Å; D8-F11 HydrophobicContact CB-CD2 4.42Å; D8-F11 PolarHBondContact O-N 2.82Å
9L56.3Low53.1Low145 Ų145138.2 Ų138.276%0.75969%0.688SS**Hα-helixtrans-59.6-14.2176.9-84.799.2000112.5P7 F11 L12P7-L9 PolarHBondContact O-N 3.49Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 2.95Å; L9-L12 PolarHBondContact O-N 3.03Å
10S58.6Low53.3Low54 Ų54136.7 Ų136.738%0.37868%0.681SS.*Hα-helixtrans-64.4-33.1176.980.50000113D8 L12 W13 V14D8-S10 PolarHBondContact O-N 2.9Å; D8-S10 WeakPolarHBondContact OD1-CB 3.34Å; D8-S10 PolarHBondContact OD1-N 3.13Å; D8-S10 VanDerWaalsContact OD1-N 3.1Å; D8-S10 PolarHBondContact OD1-OG 3.03Å; D8-S10 PolarHBondContact OD2-OG 3.09Å; D8-S10 VanDerWaalsContact OD2-OG 3.11Å; S10-L12 PolarHBondContact O-N 3.24Å; S10-W13 PolarHBondContact O-N 3.17Å; S10-V14 WeakPolarHBondContact O-CG2 3.45Å; S10-V14 PolarHBondContact O-N 2.94Å
11F57.1Low53.5Low152 Ų152135.6 Ų135.667%0.66768%0.677SS**Hα-helixtrans-69.9-34.6-179.7-88.7-87000113.1D8 L9 W13 L15D8-F11 HydrophobicContact CB-CD2 4.42Å; D8-F11 PolarHBondContact O-N 2.82Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 2.95Å; F11-W13 VanDerWaalsContact C-N 3.3Å; F11-W13 PolarHBondContact O-N 3.41Å; F11-L15 WeakPolarHBondContact O-CD1 3.22Å; F11-L15 PolarHBondContact O-N 3.2Å
12L57Low54.1Low127 Ų127128.5 Ų128.567%0.66565%0.648SS**Hα-helixtrans-66.2-33.3176.6-93138.6000112.1L9 S10 L16L9-L12 PolarHBondContact O-N 3.03Å; S10-L12 PolarHBondContact O-N 3.24Å; L12-L16 PolarHBondContact O-N 3.08Å
13W54.9Low54.9Low194 Ų194123.3 Ų123.374%0.73564%0.637SS**Hα-helixtrans-73.1-39.6-179.5-157.76.6000112.2S10 F11 L15 L16 C17S10-W13 PolarHBondContact O-N 3.17Å; F11-W13 VanDerWaalsContact C-N 3.3Å; F11-W13 PolarHBondContact O-N 3.41Å; W13-L15 VanDerWaalsContact C-N 3.35Å; W13-L15 PolarHBondContact O-N 3.16Å; W13-L16 PolarHBondContact O-N 3.28Å; W13-C17 PolarHBondContact O-N 2.91Å; W13-C17 VanDerWaalsContact O-N 3.09Å; W13-C17 PolarHBondContact O-SG 2.82Å
14V57.9Low55Low103 Ų103121.1 Ų121.162%0.62463%0.631SS**Hα-helixtrans-64.2-39.8176.8-179.30000111.3S10 L16 C17 A18S10-V14 WeakPolarHBondContact O-CG2 3.45Å; S10-V14 PolarHBondContact O-N 2.94Å; V14-L16 PolarHBondContact O-N 3.33Å; V14-C17 PolarHBondContact O-N 3.38Å; V14-A18 PolarHBondContact O-N 2.9Å; V14-A18 VanDerWaalsContact O-N 3.09Å
15L59.5Low55.1Low109 Ų109118.9 Ų118.957%0.57162%0.622SS**Hα-helixtrans-63.9-38.5175.2-97.8124.5000112.6F11 W13 A18 H19F11-L15 WeakPolarHBondContact O-CD1 3.22Å; F11-L15 PolarHBondContact O-N 3.2Å; W13-L15 VanDerWaalsContact C-N 3.35Å; W13-L15 PolarHBondContact O-N 3.16Å; L15-A18 PolarHBondContact O-N 3.26Å; L15-H19 PolarHBondContact O-N 3.16Å; L15-H19 PolarHBondContact O-ND1 2.8Å
16L59.8Low55.2Low110 Ų110118.6 Ų118.658%0.57662%0.621SS**Hα-helixtrans-65.1-42.1176.4-130.197.1000111.6L12 W13 V14 A18 H19 I20L12-L16 PolarHBondContact O-N 3.08Å; W13-L16 PolarHBondContact O-N 3.28Å; V14-L16 PolarHBondContact O-N 3.33Å; L16-A18 PolarHBondContact O-N 2.89Å; L16-H19 PolarHBondContact O-N 3.12Å; L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 2.81Å
17C58.6Low54.7Low62 Ų62116.2 Ų116.242%0.41961%0.614SS.*Hα-helixtrans-64.1-39.3177.3-70.40000112.5W13 V14 H19 I20 I21W13-C17 PolarHBondContact O-N 2.91Å; W13-C17 VanDerWaalsContact O-N 3.09Å; W13-C17 PolarHBondContact O-SG 2.82Å; V14-C17 PolarHBondContact O-N 3.38Å; C17-H19 VanDerWaalsContact C-N 3.35Å; C17-H19 PolarHBondContact O-N 2.85Å; C17-I20 PolarHBondContact O-N 2.89Å; C17-I21 WeakPolarHBondContact O-CG1 3.49Å; C17-I21 PolarHBondContact O-N 3.4Å
18A57.5Low54.4Low48 Ų48116.2 Ų116.240%0.39761%0.612SS.*Hα-helixtrans-65.7-35.3176.300000112.7V14 L15 L16 T22V14-A18 PolarHBondContact O-N 2.9Å; V14-A18 VanDerWaalsContact O-N 3.09Å; L15-A18 PolarHBondContact O-N 3.26Å; L16-A18 PolarHBondContact O-N 2.89Å; A18-T22 PolarHBondContact O-N 3.12Å; A18-T22 PolarHBondContact O-OG1 2.8Å
19H55.7Low53.9Low124 Ų124116.8 Ų116.857%0.57462%0.622SS**Hα-helixtrans-68.6-38.3177.8-78.559.1000112.5L15 L16 C17 T22 L23L15-H19 PolarHBondContact O-N 3.16Å; L15-H19 PolarHBondContact O-ND1 2.8Å; L16-H19 PolarHBondContact O-N 3.12Å; C17-H19 VanDerWaalsContact C-N 3.35Å; C17-H19 PolarHBondContact O-N 2.85Å; H19-T22 PolarHBondContact O-N 2.94Å; H19-L23 PolarHBondContact O-N 2.83Å; H19-L23 VanDerWaalsContact O-N 3.16Å
20I58.3Low53.3Low107 Ų107115.5 Ų115.555%0.54962%0.62SS.*Hα-helixtrans-67.4-40.6178.5-64.9172.2000111.1L16 C17 L23 L24L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 2.81Å; C17-I20 PolarHBondContact O-N 2.89Å; I20-L23 PolarHBondContact O-N 3.27Å; I20-L24 PolarHBondContact O-N 3.04Å
21I57.7Low52.5Low114 Ų114118.5 Ų118.559%0.58564%0.641SS**Hα-helixtrans-67-38.5178.3-63.2169.6000111.2C17 L23 L24 V25C17-I21 WeakPolarHBondContact O-CG1 3.49Å; C17-I21 PolarHBondContact O-N 3.4Å; I21-L23 PolarHBondContact O-N 2.76Å; I21-L24 PolarHBondContact O-N 2.91Å; I21-V25 PolarHBondContact O-N 2.78Å
22T55.8Low51.8Low99 Ų99119 Ų11961%0.60765%0.645SS**Hα-helixtrans-70.5-31.8-179.5-43.30000112.4A18 H19A18-T22 PolarHBondContact O-N 3.12Å; A18-T22 PolarHBondContact O-OG1 2.8Å; H19-T22 PolarHBondContact O-N 2.94Å
23L55.5Low51Low129 Ų129119.1 Ų119.168%0.67565%0.651SS**Hα-helixtrans-72.1-34.3174.2-77.5165.4000112.5H19 I20 I21 R26H19-L23 PolarHBondContact O-N 2.83Å; H19-L23 VanDerWaalsContact O-N 3.16Å; I20-L23 PolarHBondContact O-N 3.27Å; I21-L23 PolarHBondContact O-N 2.76Å; L23-R26 PolarHBondContact O-N 2.89Å
24L50.2Low50.5Low138 Ų138115.4 Ų115.472%0.72365%0.65SS**Hα-helixtrans-70.4-34.4-179.9-14679.9000112.6I20 I21I20-L24 PolarHBondContact O-N 3.04Å; I21-L24 PolarHBondContact O-N 2.91Å
25V45.9Very low49.9Very low107 Ų107116.4 Ų116.465%0.64866%0.657SS**Hα-helixtrans-73.6-25.6178.2171.50000112.6I21 A27I21-V25 PolarHBondContact O-N 2.78Å; V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 2.87Å
26R45.8Very low49.2Very low232 Ų232115.2 Ų115.288%0.87566%0.662SS**THydrogen-bonded Turntrans-84.4-5-179.2-151.5176-167.2163.84113.9L23L23-R26 PolarHBondContact O-N 2.89Å
27A44.2Very low48.6Very low75 Ų75114.6 Ų114.662%0.6267%0.673SS**THydrogen-bonded Turntrans-105.216-174.400000114.3V25 P29V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 2.87Å; A27-P29 WeakPolarHBondContact O-CD 3.48Å
28T42Very low47.9Very low109 Ų109117.9 Ų117.967%0.66969%0.692SS**  trans-82.2109165.149.10000109.4V30T28-V30 PolarHBondContact O-N 3.11Å
29P43.2Very low47.2Very low115 Ų115121.9 Ų121.975%0.74771%0.711SS**  trans-72.8122.1167.929-25.7000107.9A27 S31A27-P29 WeakPolarHBondContact O-CD 3.48Å; P29-S31 PolarHBondContact O-N 3.21Å; P29-S31 VanDerWaalsContact O-N 3.15Å
30V43.4Very low46.5Very low118 Ų118121.4 Ų121.472%0.71572%0.721SS**  trans-57.7113.9165.1161.10000107.8T28 Q32T28-V30 PolarHBondContact O-N 3.11Å; V30-Q32 HydrophobicContact CG1-CG 3.92Å; V30-Q32 PolarHBondContact O-N 3.05Å
31S41.8Very low45.7Very low117 Ų117121.5 Ų121.582%0.81873%0.731SS**  trans-65.3100.5167.9-670000108.8P29 T33P29-S31 PolarHBondContact O-N 3.21Å; P29-S31 VanDerWaalsContact O-N 3.15Å; S31-T33 PolarHBondContact O-N 3.1Å
32Q43.8Very low45.2Very low163 Ų163127.2 Ų127.276%0.76275%0.746SS**  trans-82.7104.8166.8-66-171.5-1300108.5V30 T34V30-Q32 HydrophobicContact CG1-CG 3.92Å; V30-Q32 PolarHBondContact O-N 3.05Å; Q32-T34 PolarHBondContact O-N 2.9Å; Q32-T34 VanDerWaalsContact O-N 3.17Å
33T39.5Very low44.3Very low128 Ų128127.4 Ų127.479%0.78575%0.751SS**  trans-73.795.2164.7-59.50000108.2S31S31-T33 PolarHBondContact O-N 3.1Å
34T44.8Very low44Very low117 Ų117127.7 Ų127.772%0.71876%0.759SS**  trans-95.2101167.6-59.90000108.5Q32 A36Q32-T34 PolarHBondContact O-N 2.9Å; Q32-T34 VanDerWaalsContact O-N 3.17Å; T34-A36 PolarHBondContact O-N 3.17Å
35T45.6Very low43.9Very low124 Ų124130.3 Ų130.376%0.76176%0.764SS**  trans-73.4104.5169.1-57.80000109
36A44.4Very low43.9Very low83 Ų83132.1 Ų132.169%0.68677%0.77SS**  trans-100.1105.3163.300000108.6T34 T38T34-A36 PolarHBondContact O-N 3.17Å; A36-T38 PolarHBondContact O-N 2.97Å
37A47Very low44.1Very low97 Ų97126.9 Ų126.980%0.80277%0.766SS**  trans-74.2110.5166.100000108.3
38T43.8Very low44.6Very low132 Ų132128.7 Ų128.781%0.8177%0.773SS**  trans-118.7119.3166.7-56.40000109.2A36A36-T38 PolarHBondContact O-N 2.97Å
39V42.1Very low45.2Very low132 Ų132129.7 Ų129.780%0.878%0.781SS**  trans-48.8130.8-179.6170.30000112.2S41V39-S41 PolarHBondContact O-N 2.91Å
40S41.4Very low45.6Very low113 Ų113129.5 Ų129.579%0.7978%0.782SS**  trans-63.5114.8167.3161.30000110.4
41S42.2Very low46.2Very low109 Ų109131.7 Ų131.776%0.76278%0.784SS**  trans-113.7106.8157.659.90000109.3V39 S43V39-S41 PolarHBondContact O-N 2.91Å; S41-S43 PolarHBondContact O-N 2.78Å
42R45.8Very low46.6Very low234 Ų234130.6 Ų130.688%0.88377%0.774SS**  trans-64.4109.5166.7175.7-173-90.8-170.1-7.2107.3
43S38.7Very low46.9Very low104 Ų104127.5 Ų127.573%0.72777%0.768SS**  trans-122.9106.7166.1-1650000108.7S41 K45S41-S43 PolarHBondContact O-N 2.78Å; S43-K45 PolarHBondContact O-N 3.13Å
44T48.8Very low47.2Very low135 Ų135127.1 Ų127.183%0.82877%0.765SS**  trans-63.2110.3171.9-460000108.4
45K48Very low47.1Very low192 Ų192129.5 Ų129.584%0.83577%0.766SS**  trans-145.2134.7165.1-161.4145.3-172.31680109.9S43S43-K45 PolarHBondContact O-N 3.13Å
46D45Very low47.7Very low145 Ų145128.9 Ų128.978%0.77576%0.764SS**  trans-42.5147.3-172.3-80.6-58.1000115.4C48D46-C48 PolarHBondContact O-N 3.14Å
47P50Low48.4Very low123 Ų123129.2 Ų129.280%0.79977%0.767SS**  trans-65.9121.2173.9-10.925.6000110.8
48C55Low49.3Very low112 Ų112129.3 Ų129.376%0.75777%0.768SS**  trans-62.8137.3167.9-69.40000110.4D46 C50D46-C48 PolarHBondContact O-N 3.14Å; C48-C50 PolarHBondContact O-N 3.01Å
49P54.5Low50.8Low131 Ų131128.9 Ų128.985%0.85176%0.755SS**SBendtrans-80.626.4-176.933.7-35000113.9
50C53.1Low53Low111 Ų111129.2 Ų129.275%0.7575%0.747SS**  trans-118.159.5-175.9-59.40000110.3C48 P52C48-C50 PolarHBondContact O-N 3.01Å; C50-P52 WeakPolarHBondContact O-CD 3.43Å
51Q54.5Low55.5Low163 Ų163124.9 Ų124.976%0.76272%0.717SS**  trans-80.3115.9164.6-165.5157-38.600107.3
52P50.3Low58Low95 Ų95121.1 Ų121.162%0.61769%0.69SS**  trans-59.6154.7173.824.2-31000109.4C50 V54C50-P52 WeakPolarHBondContact O-CD 3.43Å; P52-V54 PolarHBondContact O-N 3.2Å; P52-V54 VanDerWaalsContact O-N 3.09Å
53P49.9Very low60.2Low97 Ų97111.3 Ų111.363%0.6366%0.659SS**  trans-48.4124.8174.9-22.831.1000108.9F55P53-F55 VanDerWaalsContact O-CD2 3.3Å; P53-F55 WeakPolarHBondContact O-CD2 3.29Å; P53-F55 PolarHBondContact O-N 3.31Å
54V45.7Very low63Low120 Ų120107.6 Ų107.673%0.72763%0.63SS**  trans-66.992.2174.3177.80000106P52P52-V54 PolarHBondContact O-N 3.2Å; P52-V54 VanDerWaalsContact O-N 3.09Å
55F43.7Very low65.3Low167 Ų167104.7 Ų104.773%0.73261%0.608SS**PPolyproline II helixtrans-59.7136.8168.4-70.7-80000107.3P53 A57P53-F55 VanDerWaalsContact O-CD2 3.3Å; P53-F55 WeakPolarHBondContact O-CD2 3.29Å; P53-F55 PolarHBondContact O-N 3.31Å; F55-A57 PolarHBondContact O-N 3.49Å
56P58.1Low67.7Low111 Ų11196.2 Ų96.272%0.72157%0.572SS**PPolyproline II helixtrans-51.3132171.9-2029.6000108.2A58P56-A58 PolarHBondContact O-N 3.24Å
57A59.3Low70.1Confident90 Ų9093.1 Ų93.174%0.74456%0.558SS**PPolyproline II helixtrans-49129.5174.700000108.7F55 K59F55-A57 PolarHBondContact O-N 3.49Å; A57-K59 PolarHBondContact O-N 3.25Å
58A64.9Low72.3Confident99 Ų9991.7 Ų91.782%0.81854%0.537SS*.  trans-55113-179.400000108.6P56 Q60P56-A58 PolarHBondContact O-N 3.24Å; A58-Q60 PolarHBondContact O-N 3.35Å
59K76.9Confident74Confident124 Ų12488.7 Ų88.754%0.53952%0.516SS..PPolyproline II helixtrans-66.5133.3178.2-65.9-177.5-174.1173.40108.4A57 A63 E65A57-K59 PolarHBondContact O-N 3.25Å; K59-A63 HydrophobicContact CB-CB 3.8Å; K59-E65 IonicContact NZ-OE1 2.56Å; K59-E65 PolarHBondContact NZ-OE1 3.45Å; K59-E65 IonicContact NZ-OE2 2.84Å; K59-E65 PolarHBondContact NZ-OE2 3.42Å
60Q88.2Confident75.6Confident138 Ų13890 Ų9065%0.64551%0.51SS*.PPolyproline II helixtrans-69.4139.6176.2-165.766.93.300110A58 A63A58-Q60 PolarHBondContact O-N 3.35Å; Q60-A63 PolarHBondContact O-N 2.92Å
61C92.8Very high77.4Confident22 Ų2290.3 Ų90.315%0.14951%0.509CS..THydrogen-bonded Turntrans-52.1137.8169.1-69.50000109.7C86 R88C61-C86 VanDerWaalsContact CA-SG 3.54Å; C61-C86 HydrophobicContact CB-CB 3.8Å; C61-C86 WeakPolarHBondContact CB-SG 3.25Å; C61-C86 WeakPolarHBondContact SG-CB 3.46Å; C61-C86 CovalentContact SG-SG 2.04Å; C61-C86 PolarHBondContact SG-SG 3.34Å; C61-R88 HydrophobicContact CB-CG 4.47Å
62P94.1Very high79.1Confident31 Ų3186.5 Ų86.520%0.20149%0.491CS..THydrogen-bonded Turncis-89.7-9.418.935.6-40000116.4L64 A85 C86 L149 Q154 V156P62-L64 PolarHBondContact O-N 3.48Å; P62-A85 CarbonylContact O-C 3.54Å; P62-C86 WeakPolarHBondContact CA-O 3.42Å; P62-C86 PolarHBondContact O-N 2.75Å; P62-L149 HydrophobicContact CB-CD2 3.5Å; P62-Q154 VanDerWaalsContact CB-NE2 3.34Å; P62-V156 HydrophobicContact CG-CG2 4.27Å
63A93.7Very high81Confident27 Ų2783.2 Ų83.222%0.22347%0.469CS..  trans37.545.6-179.300000114.2K59 Q60 E65 C86K59-A63 HydrophobicContact CB-CB 3.8Å; Q60-A63 PolarHBondContact O-N 2.92Å; A63-E65 PolarHBondContact O-N 2.83Å; A63-C86 HydrophobicContact CB-CB 4.19Å
64L97.3Very high83.1Confident26 Ų2683.2 Ų83.214%0.13647%0.469CS..  trans-75117-175.8-177.769.4000110.2P62 C83 T84 A85 L95 L149 V156 R158P62-L64 PolarHBondContact O-N 3.48Å; L64-C83 VanDerWaalsContact CD1-SG 3.57Å; L64-T84 CarbonylContact C-O 3.48Å; L64-T84 WeakPolarHBondContact CA-O 3.46Å; L64-A85 HydrophobicContact CD1-CB 3.68Å; L64-L95 HydrophobicContact CD1-CD1 4.01Å; L64-L149 HydrophobicContact CD1-CB 4.28Å; L64-V156 HydrophobicContact CD2-CB 4.38Å; L64-V156 HydrophobicContact CD2-CG1 3.94Å; L64-V156 WeakPolarHBondContact CD2-O 3.3Å; L64-R158 HydrophobicContact CD2-CB 3.9Å; L64-R158 HydrophobicContact CG-CB 4.17Å
65E97.2Very high85.3Confident75 Ų7582 Ų8235%0.3546%0.458SS..EExtended strand (participates in β ladder)trans-135141.1-176.7-56.7-165.4134.700110.6K59 A63 C83 T84K59-E65 IonicContact NZ-OE1 2.56Å; K59-E65 PolarHBondContact NZ-OE1 3.45Å; K59-E65 IonicContact NZ-OE2 2.84Å; K59-E65 PolarHBondContact NZ-OE2 3.42Å; A63-E65 PolarHBondContact O-N 2.83Å; E65-C83 CarbonylContact O-C 3.58Å; E65-C83 WeakPolarHBondContact O-CA 3.28Å; E65-T84 PolarHBondContact N-O 3.03Å; E65-T84 PolarHBondContact O-N 2.84Å
66V97.8Very high87.8Confident14 Ų1479.1 Ų79.19%0.08545%0.45CS..EExtended strand (participates in β ladder)trans-116.3133172.7173.20000107.7W68 S82 C83 W97 C147 R158 V160V66-W68 HydrophobicContact CG1-CE3 4.41Å; V66-W68 WeakPolarHBondContact O-CZ3 3.47Å; V66-S82 CarbonylContact C-O 3.55Å; V66-S82 VanDerWaalsContact CA-O 3.28Å; V66-S82 WeakPolarHBondContact CA-O 3.4Å; V66-C83 HydrophobicContact CG2-CB 4.35Å; V66-W97 HydrophobicContact CB-CH2 4.49Å; V66-W97 HydrophobicContact CG1-CH2 3.71Å; V66-W97 HydrophobicContact CG1-CZ3 4.36Å; V66-W97 HydrophobicContact CG2-CH2 3.98Å; V66-W97 HydrophobicContact CG2-CZ3 4.37Å; V66-C147 HydrophobicContact CG2-CB 3.66Å; V66-R158 HydrophobicContact CB-CG 4.5Å; V66-R158 HydrophobicContact CG2-CB 4.13Å; V66-R158 HydrophobicContact CG2-CG 4.11Å; V66-V160 HydrophobicContact CG1-CB 4.42Å; V66-V160 HydrophobicContact CG1-CG1 4.12Å
67T96.3Very high89.5Confident79 Ų7974.7 Ų74.749%0.48543%0.425SS..EExtended strand (participates in β ladder)trans-117.9150.4173.563.40000110.4S82T67-S82 PolarHBondContact N-O 2.87Å; T67-S82 PolarHBondContact O-N 2.83Å; T67-S82 WeakPolarHBondContact OG1-CB 3.43Å
68W94.3Very high91.2Very high94 Ų9474.9 Ų74.936%0.35642%0.417SS..  trans-142.5162.1-176.857.891.6000109.2V66 E70 L81 V160 L165V66-W68 HydrophobicContact CG1-CE3 4.41Å; V66-W68 WeakPolarHBondContact O-CZ3 3.47Å; W68-E70 PolarHBondContact O-N 3.32Å; W68-L81 HydrophobicContact CB-CD2 3.5Å; W68-V160 HydrophobicContact CE3-CG2 4.49Å; W68-L165 HydrophobicContact CB-CD1 4.17Å; W68-L165 HydrophobicContact CD2-CD1 3.33Å; W68-L165 HydrophobicContact CD2-CD2 4.28Å; W68-L165 HydrophobicContact CD2-CG 4.35Å; W68-L165 HydrophobicContact CE3-CD1 3.78Å; W68-L165 HydrophobicContact CE3-CD2 4.48Å; W68-L165 HydrophobicContact CG-CD1 3.49Å; W68-L165 VanDerWaalsContact CG-CD1 3.49Å; W68-L165 HydrophobicContact CH2-CD2 3.79Å; W68-L165 HydrophobicContact CZ2-CD1 4.18Å; W68-L165 HydrophobicContact CZ2-CD2 3.53Å; W68-L165 HydrophobicContact CZ2-CG 4.37Å; W68-L165 HydrophobicContact CZ3-CD1 4.36Å; W68-L165 HydrophobicContact CZ3-CD2 4.25Å
69P91.3Very high92.7Very high48 Ų4870.3 Ų70.331%0.31238%0.379SS..  trans-65.9130172.3-21.636000111.7V71 L79 W166P69-V71 PolarHBondContact O-N 3.04Å; P69-L79 HydrophobicContact CB-CD1 4.46Å; P69-L79 HydrophobicContact CG-CD1 3.43Å; P69-L79 VanDerWaalsContact CG-CD1 3.43Å; P69-W166 PolarHBondContact O-NE1 2.87Å; P69-W166 VanDerWaalsContact O-NE1 3.13Å
70E88.8Confident93.7Very high158 Ų15867.1 Ų67.174%0.73837%0.37SS*.SBendtrans-66.4-28178.3-64.6177.517500112.5W68W68-E70 PolarHBondContact O-N 3.32Å
71V89.5Confident94.2Very high118 Ų11860.5 Ų60.572%0.71534%0.339SS*.SBendtrans-87.9132.5176.6-176.10000109.8P69 V73P69-V71 PolarHBondContact O-N 3.04Å; V71-V73 PolarHBondContact O-N 2.84Å
72E90.8Very high94.4Very high83 Ų8360.5 Ų60.539%0.38834%0.339SS..PPolyproline II helixtrans-61.9127.1175.4-176.9164.6-174.400110.7W166 R170E72-W166 HydrophobicContact CB-CB 4.31Å; E72-W166 HydrophobicContact CB-CD2 3.95Å; E72-W166 HydrophobicContact CB-CE3 4.35Å; E72-W166 HydrophobicContact CB-CG 3.92Å; E72-W166 HydrophobicContact CG-CB 4.29Å; E72-W166 HydrophobicContact CG-CD2 3.79Å; E72-W166 HydrophobicContact CG-CE3 3.67Å; E72-W166 HydrophobicContact CG-CG 4.07Å; E72-W166 HydrophobicContact CG-CZ3 4.15Å; E72-R170 IonicContact OE1-NH2 3.94Å; E72-R170 IonicContact OE2-CZ 3.63Å; E72-R170 IonicContact OE2-NE 3.92Å; E72-R170 IonicContact OE2-NH2 3.6Å
73V91.5Very high94.6Very high27 Ų2759 Ų5916%0.16433%0.33CS..PPolyproline II helixtrans-90.8130.9177.2179.50000107.9V71 L79 L136 W166V71-V73 PolarHBondContact O-N 2.84Å; V73-L79 HydrophobicContact CG2-CD1 4.08Å; V73-L136 HydrophobicContact CB-CD2 4.49Å; V73-W166 HydrophobicContact CB-CH2 3.91Å; V73-W166 HydrophobicContact CB-CZ2 4.24Å; V73-W166 HydrophobicContact CG2-CH2 4.29Å; V73-W166 HydrophobicContact CG2-CZ2 4.15Å
74P92.6Very high94.8Very high97 Ų9758.9 Ų58.963%0.6333%0.326SS*.PPolyproline II helixtrans-61.7155.6177.126.7-35.1000111.1G77P74-G77 WeakPolarHBondContact O-CA 3.38Å; P74-G77 PolarHBondContact O-N 2Å
75L93.4Very high94.8Very high94 Ų9457.7 Ų57.749%0.49232%0.32SS..THydrogen-bonded Turntrans-53.6145.3169.3-64.4177.7000110.1G77 L136 P138L75-G77 PolarHBondContact O-N 3.14Å; L75-L136 WeakPolarHBondContact CA-O 3.46Å; L75-L136 HydrophobicContact CD2-CG 4.35Å; L75-P138 HydrophobicContact CD1-CG 4.18Å; L75-P138 HydrophobicContact CD2-CG 4.49Å
76N94.3Very high94.8Very high106 Ų10655.1 Ų55.157%0.56731%0.31SS*.THydrogen-bonded Turntrans66.80.3-170.3-49.2-47.3000116Q135 L136N76-Q135 HydrophobicContact CB-CG 4.07Å; N76-L136 PolarHBondContact N-O 2.92Å
77G93.9Very high94.7Very high18 Ų1854.5 Ų54.519%0.18631%0.306CS..  trans-74.1159.7169.700000112.3P74 L75 L136P74-G77 WeakPolarHBondContact O-CA 3.38Å; P74-G77 PolarHBondContact O-N 2Å; L75-G77 PolarHBondContact O-N 3.14Å; G77-L136 WeakPolarHBondContact O-CB 3.45Å; G77-L136 PolarHBondContact O-N 2.82Å
78T96.3Very high94.7Very high94 Ų9456.2 Ų56.258%0.57730%0.304SS*.  trans-85137.6172.4-55.80000110.4L133 E134T78-L133 CarbonylContact C-O 3.48Å; T78-L133 WeakPolarHBondContact CA-O 3.36Å; T78-E134 WeakPolarHBondContact CA-O 3.31Å; T78-E134 PolarHBondContact OG1-O 2.98Å
79L96.3Very high94.7Very high3 Ų354.9 Ų54.92%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-138.4136.2-176.5171.166.6000110P69 V73 L133 L136 L162 W166P69-L79 HydrophobicContact CB-CD1 4.46Å; P69-L79 HydrophobicContact CG-CD1 3.43Å; P69-L79 VanDerWaalsContact CG-CD1 3.43Å; V73-L79 HydrophobicContact CG2-CD1 4.08Å; L79-L133 HydrophobicContact CB-CB 4.3Å; L79-L133 HydrophobicContact CD2-CD2 4.37Å; L79-L133 PolarHBondContact N-O 2.81Å; L79-L133 PolarHBondContact O-N 2.95Å; L79-L136 HydrophobicContact CD2-CD1 4.35Å; L79-L162 HydrophobicContact CD2-CD1 3.33Å; L79-L162 HydrophobicContact CD2-CD2 3.64Å; L79-L162 HydrophobicContact CD2-CG 4.11Å; L79-W166 HydrophobicContact CD1-CH2 4.46Å; L79-W166 HydrophobicContact CD1-CZ2 4.25Å; L79-W166 HydrophobicContact CD2-CH2 3.96Å; L79-W166 HydrophobicContact CD2-CZ2 4.42Å
80T97.6Very high94.7Very high57 Ų5754.7 Ų54.735%0.3530%0.299SS..EExtended strand (participates in β ladder)trans-119.3124173.8-58.20000110.1A130 L131 V132T80-A130 HydrophobicContact CG2-CB 3.98Å; T80-L131 WeakPolarHBondContact CA-O 3.32Å; T80-V132 HydrophobicContact CG2-CG2 4.24Å
81L98.2Very high94.9Very high0 Ų053.1 Ų53.10%030%0.296CS..EExtended strand (participates in β ladder)trans-94141.4165-62.9179.4000108.9W68 W97 A130 L131 F145 V160 L162W68-L81 HydrophobicContact CB-CD2 3.5Å; L81-W97 HydrophobicContact CB-CH2 3.74Å; L81-W97 HydrophobicContact CB-CZ2 4.06Å; L81-W97 HydrophobicContact CB-CZ3 4.46Å; L81-W97 HydrophobicContact CD1-CH2 4.38Å; L81-W97 HydrophobicContact CD1-CZ3 4.35Å; L81-A130 CarbonylContact O-C 3.53Å; L81-A130 WeakPolarHBondContact O-CA 3.1Å; L81-L131 HydrophobicContact CB-CB 4.31Å; L81-L131 HydrophobicContact CD1-CD2 4.32Å; L81-L131 PolarHBondContact N-O 3.13Å; L81-L131 PolarHBondContact O-N 3.32Å; L81-F145 HydrophobicContact CD1-CB 4.42Å; L81-F145 HydrophobicContact CD1-CD2 4.04Å; L81-F145 HydrophobicContact CD1-CG 4.34Å; L81-V160 HydrophobicContact CD1-CG1 3.94Å; L81-L162 HydrophobicContact CD1-CD2 4.31Å; L81-L162 HydrophobicContact CD2-CD2 3.91Å
82S98.1Very high95.2Very high22 Ų2255 Ų5515%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-120.3136.1177.8-60.80000109.9V66 T67 Y128V66-S82 CarbonylContact C-O 3.55Å; V66-S82 VanDerWaalsContact CA-O 3.28Å; V66-S82 WeakPolarHBondContact CA-O 3.4Å; T67-S82 PolarHBondContact N-O 2.87Å; T67-S82 PolarHBondContact O-N 2.83Å; T67-S82 WeakPolarHBondContact OG1-CB 3.43Å; S82-Y128 PolarHBondContact OG-OH 2.79Å
83C98.4Very high95.4Very high0 Ų051.2 Ų51.20%028%0.277CS..EExtended strand (participates in β ladder)trans-119.1134.8174.5-175.50000110.4L64 E65 V66 L95 W97 Y128 K129 C147L64-C83 VanDerWaalsContact CD1-SG 3.57Å; E65-C83 CarbonylContact O-C 3.58Å; E65-C83 WeakPolarHBondContact O-CA 3.28Å; V66-C83 HydrophobicContact CG2-CB 4.35Å; C83-L95 HydrophobicContact CB-CD2 4.39Å; C83-W97 HydrophobicContact CB-CH2 4.08Å; C83-W97 HydrophobicContact CB-CZ2 3.42Å; C83-W97 VanDerWaalsContact CB-CZ2 3.42Å; C83-Y128 VanDerWaalsContact O-CA 3.31Å; C83-Y128 WeakPolarHBondContact O-CA 3.47Å; C83-K129 PolarHBondContact N-O 3.18Å; C83-K129 PolarHBondContact O-N 3.38Å; C83-C147 HydrophobicContact CB-CB 3.64Å; C83-C147 WeakPolarHBondContact CB-SG 3.2Å; C83-C147 WeakPolarHBondContact SG-CB 3.44Å; C83-C147 CovalentContact SG-SG 2Å; C83-C147 PolarHBondContact SG-SG 3.09Å
84T97.9Very high95.7Very high23 Ų2355.9 Ų55.914%0.14130%0.299CS..EExtended strand (participates in β ladder)trans-124.4141.917256.20000110.5L64 E65 L127 Y128L64-T84 CarbonylContact C-O 3.48Å; L64-T84 WeakPolarHBondContact CA-O 3.46Å; E65-T84 PolarHBondContact N-O 3.03Å; E65-T84 PolarHBondContact O-N 2.84Å; T84-L127 VanDerWaalsContact CA-O 3.3Å; T84-L127 WeakPolarHBondContact CA-O 3.38Å; T84-Y128 HydrophobicContact CG2-CD2 3.77Å
85A97.4Very high96Very high2 Ų251.5 Ų51.52%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-146.7169.5175.400000110.5P62 L64 L95 R126 L127 L149P62-A85 CarbonylContact O-C 3.54Å; L64-A85 HydrophobicContact CD1-CB 3.68Å; A85-L95 HydrophobicContact CB-CD1 3.7Å; A85-R126 CarbonylContact O-C 3.53Å; A85-R126 VanDerWaalsContact O-CA 3.31Å; A85-R126 WeakPolarHBondContact O-CA 3.45Å; A85-R126 WeakPolarHBondContact O-CG 3.35Å; A85-L127 PolarHBondContact N-O 2.75Å; A85-L127 PolarHBondContact O-N 3.34Å; A85-L149 HydrophobicContact CB-CB 4.16Å; A85-L149 HydrophobicContact CB-CD1 3.98Å; A85-L149 HydrophobicContact CB-CD2 4.14Å; A85-L149 HydrophobicContact CB-CG 4.31Å
86C96.1Very high96.2Very high21 Ų2149.7 Ų49.714%0.14226%0.257CS..EExtended strand (participates in β ladder)trans-129132.3179.1178.40000107.6C61 P62 A63 T125 L149C61-C86 VanDerWaalsContact CA-SG 3.54Å; C61-C86 HydrophobicContact CB-CB 3.8Å; C61-C86 WeakPolarHBondContact CB-SG 3.25Å; C61-C86 WeakPolarHBondContact SG-CB 3.46Å; C61-C86 CovalentContact SG-SG 2.04Å; C61-C86 PolarHBondContact SG-SG 3.34Å; P62-C86 WeakPolarHBondContact CA-O 3.42Å; P62-C86 PolarHBondContact O-N 2.75Å; A63-C86 HydrophobicContact CB-CB 4.19Å; C86-T125 WeakPolarHBondContact CA-O 3.39Å; C86-L149 WeakPolarHBondContact O-CD2 3.38Å
87S96.4Very high96.5Very high0 Ų044.6 Ų44.60%023%0.23CC..EExtended strand (participates in β ladder)trans-131144.8170-179.60000110.4F89 G124 T125 D151S87-F89 PolarHBondContact O-N 3.24Å; S87-F89 PolarHBondContact OG-N 2.68Å; S87-F89 VanDerWaalsContact OG-N 3.09Å; S87-G124 CarbonylContact O-C 3.59Å; S87-G124 WeakPolarHBondContact O-CA 3.33Å; S87-T125 PolarHBondContact N-O 2.89Å; S87-T125 PolarHBondContact O-N 2.84Å; S87-D151 WeakPolarHBondContact CB-OD2 3.41Å; S87-D151 WeakPolarHBondContact OG-CB 3.48Å; S87-D151 PolarHBondContact OG-OD2 3.18Å
88R95.4Very high96.7Very high115 Ų11544.8 Ų44.843%0.43423%0.227SC..SBendtrans-76.4-5.9171.3-60.9-176-170.71292.5112.4C61 P90 E153C61-R88 HydrophobicContact CB-CG 4.47Å; R88-P90 WeakPolarHBondContact O-CD 3.37Å; R88-E153 IonicContact NH1-OE1 3.52Å; R88-E153 IonicContact NH1-OE2 3.32Å; R88-E153 PolarHBondContact NH1-OE2 2.79Å
89F95.2Very high96.8Very high67 Ų6740.4 Ų40.429%0.29420%0.2SC..  trans-110.786.1-176.2-58.7-87.9000110.2S87 N91 F92 S93 D151 P152 E153S87-F89 PolarHBondContact O-N 3.24Å; S87-F89 PolarHBondContact OG-N 2.68Å; S87-F89 VanDerWaalsContact OG-N 3.09Å; F89-N91 VanDerWaalsContact C-N 3.26Å; F89-N91 PolarHBondContact O-N 3.45Å; F89-N91 VanDerWaalsContact O-N 3.17Å; F89-F92 HydrophobicContact CB-CB 4.28Å; F89-F92 PolarHBondContact O-N 3.34Å; F89-S93 VanDerWaalsContact O-CB 3.32Å; F89-S93 WeakPolarHBondContact O-CB 3.4Å; F89-S93 PolarHBondContact O-N 3.46Å; F89-S93 PolarHBondContact O-OG 3.37Å; F89-D151 HydrophobicContact CB-CB 4.46Å; F89-D151 HydrophobicContact CD2-CB 4.14Å; F89-P152 HydrophobicContact CB-CG 4.23Å; F89-P152 HydrophobicContact CD1-CB 4.3Å; F89-P152 HydrophobicContact CD1-CG 3.76Å; F89-P152 HydrophobicContact CD2-CG 4.33Å; F89-P152 HydrophobicContact CE1-CB 4.18Å; F89-P152 HydrophobicContact CE1-CG 4.15Å; F89-P152 VanDerWaalsContact CG-CD 3.43Å; F89-P152 HydrophobicContact CG-CG 3.85Å; F89-P152 HydrophobicContact CZ-CB 4.32Å; F89-E153 HydrophobicContact CE2-CB 3.69Å; F89-E153 HydrophobicContact CZ-CB 4.23Å
90P91.1Very high96.8Very high44 Ų4445.7 Ų45.729%0.28623%0.228SC..SBendtrans-56.7-37.6-171.119.7-33.4000113.8R88 R118 T125R88-P90 WeakPolarHBondContact O-CD 3.37Å; P90-R118 PolarHBondContact O-NH1 2.87Å; P90-T125 WeakPolarHBondContact CA-OG1 3.2Å; P90-T125 VanDerWaalsContact CB-OG1 3.24Å; P90-T125 WeakPolarHBondContact CB-OG1 3.47Å
91N92.3Very high96.8Very high125 Ų12545.8 Ų45.867%0.66824%0.241SC*.SBendtrans-103.1-14.2-173.2-60.3-34.5000113.6F89F89-N91 VanDerWaalsContact C-N 3.26Å; F89-N91 PolarHBondContact O-N 3.45Å; F89-N91 VanDerWaalsContact O-N 3.17Å
92F95.3Very high96.8Very high158 Ų15848.1 Ų48.169%0.69326%0.257SS*.SBendtrans-117.727.3-173.7-60.7-77.6000112.2F89 P152F89-F92 HydrophobicContact CB-CB 4.28Å; F89-F92 PolarHBondContact O-N 3.34Å; F92-P152 HydrophobicContact CB-CG 3.76Å; F92-P152 VanDerWaalsContact O-CD 3.32Å; F92-P152 WeakPolarHBondContact O-CD 3.31Å
93S96.7Very high96.8Very high2 Ų251.9 Ų51.91%0.01427%0.271CS..  trans-117.5146.3177.150.40000111.6F89 R118 M150F89-S93 VanDerWaalsContact O-CB 3.32Å; F89-S93 WeakPolarHBondContact O-CB 3.4Å; F89-S93 PolarHBondContact O-N 3.46Å; F89-S93 PolarHBondContact O-OG 3.37Å; S93-R118 PolarHBondContact O-NH1 3.5Å; S93-R118 PolarHBondContact O-NH2 3.47Å; S93-R118 PolarHBondContact OG-NH1 2.99Å; S93-M150 CarbonylContact C-O 3.49Å; S93-M150 VanDerWaalsContact CA-O 3.31Å; S93-M150 WeakPolarHBondContact CA-O 3.35Å
94M97.1Very high96.8Very high126 Ų12652 Ų5262%0.62127%0.271SS*.EExtended strand (participates in β ladder)trans-131.3140.4175.8-63.7-175.1-176.300109.8L149 M150M94-L149 WeakPolarHBondContact O-CA 3.21Å; M94-M150 PolarHBondContact N-O 3.37Å; M94-M150 PolarHBondContact O-N 2.96Å
95L98.4Very high96.7Very high4 Ų457 Ų572%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-122.1127.2171.4-169.370.4000106.5L64 C83 A85 T116 L127 K129 C147 V148 L149L64-L95 HydrophobicContact CD1-CD1 4.01Å; C83-L95 HydrophobicContact CB-CD2 4.39Å; A85-L95 HydrophobicContact CB-CD1 3.7Å; L95-T116 HydrophobicContact CB-CG2 4.34Å; L95-L127 HydrophobicContact CB-CB 4.04Å; L95-L127 HydrophobicContact CB-CD2 4.16Å; L95-L127 HydrophobicContact CD2-CB 3.88Å; L95-K129 HydrophobicContact CD2-CB 3.82Å; L95-K129 HydrophobicContact CG-CB 4.25Å; L95-K129 WeakPolarHBondContact O-CE 3.49Å; L95-C147 VanDerWaalsContact CD1-SG 3.54Å; L95-V148 WeakPolarHBondContact CA-O 3.41Å; L95-L149 HydrophobicContact CD1-CB 4.17Å; L95-L149 HydrophobicContact CD1-CD1 4.46Å
96Y98.6Very high96.7Very high56 Ų5662.8 Ų62.822%0.2232%0.32CS..EExtended strand (participates in β ladder)trans-150.9168.7-178.863.8-86.2000111.2L98 F103 E113 V148 M150Y96-L98 HydrophobicContact CD2-CD2 4.14Å; Y96-L98 HydrophobicContact CD2-CG 4.16Å; Y96-L98 HydrophobicContact CE2-CD1 4.06Å; Y96-L98 HydrophobicContact CE2-CD2 3.86Å; Y96-L98 HydrophobicContact CE2-CG 3.81Å; Y96-F103 HydrophobicContact CD2-CD1 4.46Å; Y96-F103 HydrophobicContact CD2-CE1 4.2Å; Y96-F103 HydrophobicContact CE2-CE1 4.16Å; Y96-E113 WeakPolarHBondContact CA-OE1 2.93Å; Y96-V148 HydrophobicContact CD1-CB 4.29Å; Y96-V148 HydrophobicContact CD2-CB 4.25Å; Y96-V148 HydrophobicContact CD2-CG2 4.5Å; Y96-V148 HydrophobicContact CE1-CB 3.84Å; Y96-V148 HydrophobicContact CE1-CG1 3.82Å; Y96-V148 HydrophobicContact CE2-CB 3.8Å; Y96-V148 HydrophobicContact CE2-CG1 4.26Å; Y96-V148 HydrophobicContact CE2-CG2 3.94Å; Y96-V148 HydrophobicContact CG-CB 4.48Å; Y96-V148 PolarHBondContact N-O 2.84Å; Y96-V148 PolarHBondContact O-N 2.76Å; Y96-V148 WeakPolarHBondContact OH-CG1 3.32Å; Y96-M150 HydrophobicContact CE1-CB 4.36Å
97W98.8Very high96.7Very high0 Ų062.9 Ų62.90%032%0.319CS..EExtended strand (participates in β ladder)trans-111.7150.5179.1-69.792.6000112V66 L81 C83 I104 E113 K129 L131 F145 S146 C147 V160V66-W97 HydrophobicContact CB-CH2 4.49Å; V66-W97 HydrophobicContact CG1-CH2 3.71Å; V66-W97 HydrophobicContact CG1-CZ3 4.36Å; V66-W97 HydrophobicContact CG2-CH2 3.98Å; V66-W97 HydrophobicContact CG2-CZ3 4.37Å; L81-W97 HydrophobicContact CB-CH2 3.74Å; L81-W97 HydrophobicContact CB-CZ2 4.06Å; L81-W97 HydrophobicContact CB-CZ3 4.46Å; L81-W97 HydrophobicContact CD1-CH2 4.38Å; L81-W97 HydrophobicContact CD1-CZ3 4.35Å; C83-W97 HydrophobicContact CB-CH2 4.08Å; C83-W97 HydrophobicContact CB-CZ2 3.42Å; C83-W97 VanDerWaalsContact CB-CZ2 3.42Å; W97-I104 HydrophobicContact CB-CD1 3.89Å; W97-I104 HydrophobicContact CB-CG1 3.62Å; W97-E113 HydrophobicContact CB-CG 3.92Å; W97-E113 HydrophobicContact CG-CG 4.32Å; W97-E113 PolarHBondContact N-OE1 3.37Å; W97-K129 PolarHBondContact NE1-O 3.22Å; W97-L131 HydrophobicContact CB-CD2 4.36Å; W97-L131 HydrophobicContact CD2-CB 3.72Å; W97-L131 HydrophobicContact CD2-CD2 3.92Å; W97-L131 HydrophobicContact CD2-CG 4.42Å; W97-L131 HydrophobicContact CE3-CB 4.32Å; W97-L131 HydrophobicContact CE3-CD2 3.81Å; W97-L131 HydrophobicContact CG-CB 3.87Å; W97-L131 HydrophobicContact CG-CD2 4.2Å; W97-L131 HydrophobicContact CG-CG 4.47Å; W97-L131 HydrophobicContact CZ2-CB 4.01Å; W97-L131 HydrophobicContact CZ3-CD2 4.32Å; W97-F145 HydrophobicContact CE3-CB 4.33Å; W97-F145 HydrophobicContact CZ3-CB 4.25Å; W97-S146 CarbonylContact C-O 3.51Å; W97-S146 WeakPolarHBondContact CA-O 3.45Å; W97-C147 HydrophobicContact CD2-CB 4.16Å; W97-C147 HydrophobicContact CE3-CB 3.93Å; W97-C147 HydrophobicContact CH2-CB 4.05Å; W97-C147 HydrophobicContact CZ2-CB 4.26Å; W97-C147 HydrophobicContact CZ3-CB 3.87Å; W97-V160 HydrophobicContact CZ3-CG1 4.31Å
98L98.7Very high96.6Very high22 Ų2267.9 Ų67.912%0.11535%0.351CS..EExtended strand (participates in β ladder)trans-129.1150.6169.2-60.7174.4000109.1Y96 S102 F103 F145 S146 V148Y96-L98 HydrophobicContact CD2-CD2 4.14Å; Y96-L98 HydrophobicContact CD2-CG 4.16Å; Y96-L98 HydrophobicContact CE2-CD1 4.06Å; Y96-L98 HydrophobicContact CE2-CD2 3.86Å; Y96-L98 HydrophobicContact CE2-CG 3.81Å; L98-S102 CarbonylContact C-O 3.49Å; L98-S102 VanDerWaalsContact CA-O 3.22Å; L98-S102 WeakPolarHBondContact CA-O 3.34Å; L98-F103 HydrophobicContact CD2-CD1 3.76Å; L98-F103 HydrophobicContact CD2-CE1 4.14Å; L98-F103 HydrophobicContact CD2-CG 4.21Å; L98-F145 CarbonylContact O-C 3.58Å; L98-F145 VanDerWaalsContact O-CA 3.25Å; L98-F145 WeakPolarHBondContact O-CA 3.39Å; L98-S146 PolarHBondContact N-O 2.92Å; L98-S146 PolarHBondContact O-N 2.78Å; L98-V148 HydrophobicContact CD1-CG2 3.9Å; L98-V148 HydrophobicContact CG-CG2 4.25Å
99G98.3Very high96.5Very high1 Ų164.7 Ų64.71%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-122.3121.6167.300000109.8G101 S102G99-G101 PolarHBondContact O-N 2.89Å; G99-G101 VanDerWaalsContact O-N 3.09Å; G99-S102 PolarHBondContact N-O 2.96Å; G99-S102 PolarHBondContact O-N 2.86Å
100N97.3Very high96.5Very high114 Ų11466.4 Ų66.461%0.6136%0.363SS*.THydrogen-bonded Turntrans5133.4-174.2-61.5-22000113.3S102 N144N100-S102 VanDerWaalsContact C-N 3.33Å; N100-S102 PolarHBondContact O-N 3.35Å; N100-N144 PolarHBondContact N-O 2.95Å; N100-N144 PolarHBondContact OD1-N 2.89Å
101G97.4Very high96.8Very high60 Ų6065.3 Ų65.362%0.61935%0.354SS*.THydrogen-bonded Turntrans81.80.2-17900000115.8G99G99-G101 PolarHBondContact O-N 2.89Å; G99-G101 VanDerWaalsContact O-N 3.09Å
102S97.9Very high97Very high48 Ų4865.1 Ų65.134%0.33634%0.344SS..EExtended strand (participates in β ladder)trans-104.4151.9176.1-173.50000111.6L98 G99 N100 H106L98-S102 CarbonylContact C-O 3.49Å; L98-S102 VanDerWaalsContact CA-O 3.22Å; L98-S102 WeakPolarHBondContact CA-O 3.34Å; G99-S102 PolarHBondContact N-O 2.96Å; G99-S102 PolarHBondContact O-N 2.86Å; N100-S102 VanDerWaalsContact C-N 3.33Å; N100-S102 PolarHBondContact O-N 3.35Å; S102-H106 WeakPolarHBondContact OG-CB 3.2Å
103F98.1Very high97.2Very high101 Ų10159.8 Ų59.844%0.44332%0.322SS..EExtended strand (participates in β ladder)trans-61.6149.2171.7-60.9-75.7000111.5Y96 L98 E105 H106 L107Y96-F103 HydrophobicContact CD2-CD1 4.46Å; Y96-F103 HydrophobicContact CD2-CE1 4.2Å; Y96-F103 HydrophobicContact CE2-CE1 4.16Å; L98-F103 HydrophobicContact CD2-CD1 3.76Å; L98-F103 HydrophobicContact CD2-CE1 4.14Å; L98-F103 HydrophobicContact CD2-CG 4.21Å; F103-E105 VanDerWaalsContact C-N 3.29Å; F103-E105 VanDerWaalsContact CB-CD 3.42Å; F103-E105 HydrophobicContact CB-CG 4.5Å; F103-E105 VanDerWaalsContact CB-OE1 3.29Å; F103-E105 WeakPolarHBondContact CB-OE1 3.31Å; F103-E105 VanDerWaalsContact CB-OE2 3.28Å; F103-E105 WeakPolarHBondContact CB-OE2 3.36Å; F103-E105 PolarHBondContact O-N 3.15Å; F103-H106 WeakPolarHBondContact O-CB 3.23Å; F103-H106 PolarHBondContact O-N 3.21Å; F103-L107 VanDerWaalsContact O-CD1 3.29Å; F103-L107 WeakPolarHBondContact O-CD1 3.48Å
104I98.1Very high97.2Very high2 Ų260.1 Ų60.11%0.0133%0.326CS..G310 helixtrans-59.9-37.2-169.7-62.9-55.3000112.5W97 H106 L107 L111 E113 L131 F145W97-I104 HydrophobicContact CB-CD1 3.89Å; W97-I104 HydrophobicContact CB-CG1 3.62Å; I104-H106 PolarHBondContact O-N 3.07Å; I104-H106 VanDerWaalsContact O-N 3.13Å; I104-L107 HydrophobicContact CD1-CD1 4.48Å; I104-L107 PolarHBondContact O-N 3.37Å; I104-L111 HydrophobicContact CG2-CD1 3.87Å; I104-L111 HydrophobicContact CG2-CG 3.7Å; I104-E113 HydrophobicContact CB-CG 3.92Å; I104-E113 HydrophobicContact CG1-CG 3.63Å; I104-E113 HydrophobicContact CG2-CG 4.27Å; I104-L131 HydrophobicContact CD1-CD1 4.02Å; I104-L131 HydrophobicContact CD1-CD2 4.2Å; I104-L131 HydrophobicContact CG1-CD1 3.98Å; I104-L131 HydrophobicContact CG2-CD1 3.79Å; I104-F145 HydrophobicContact CD1-CD1 4.38Å
105E96.8Very high97.2Very high130 Ų13059.6 Ų59.661%0.60734%0.335SS*.G310 helixtrans-63-16.6177.565.9-87-161.800114.3F103F103-E105 VanDerWaalsContact C-N 3.29Å; F103-E105 VanDerWaalsContact CB-CD 3.42Å; F103-E105 HydrophobicContact CB-CG 4.5Å; F103-E105 VanDerWaalsContact CB-OE1 3.29Å; F103-E105 WeakPolarHBondContact CB-OE1 3.31Å; F103-E105 VanDerWaalsContact CB-OE2 3.28Å; F103-E105 WeakPolarHBondContact CB-OE2 3.36Å; F103-E105 PolarHBondContact O-N 3.15Å
106H97.1Very high97.1Very high123 Ų12361.8 Ų61.857%0.56935%0.348SS*.G310 helixtrans-96.1-5.7176.8-55.5113.4000113S102 F103 I104S102-H106 WeakPolarHBondContact OG-CB 3.2Å; F103-H106 WeakPolarHBondContact O-CB 3.23Å; F103-H106 PolarHBondContact O-N 3.21Å; I104-H106 PolarHBondContact O-N 3.07Å; I104-H106 VanDerWaalsContact O-N 3.13Å
107L96.2Very high97.1Very high23 Ų2362.4 Ų62.412%0.1236%0.361CS..SBendtrans-81.7142.8176.6-84.387000110.7F103 I104 L111 L140 T143 F145F103-L107 VanDerWaalsContact O-CD1 3.29Å; F103-L107 WeakPolarHBondContact O-CD1 3.48Å; I104-L107 HydrophobicContact CD1-CD1 4.48Å; I104-L107 PolarHBondContact O-N 3.37Å; L107-L111 HydrophobicContact CB-CD1 4.42Å; L107-L111 HydrophobicContact CB-CD2 4.18Å; L107-L140 HydrophobicContact CD2-CD2 4.41Å; L107-T143 HydrophobicContact CD2-CG2 3.8Å; L107-F145 HydrophobicContact CD2-CE1 4.46Å
108P94.2Very high97Very high104 Ų10467.1 Ų67.168%0.67538%0.379SS*.SBendtrans-71145.1170.831.2-34.5000110.7
109G92.9Very high96.8Very high49 Ų4972.4 Ų72.451%0.50540%0.403SS..SBendtrans118.4-176.7176.300000112.9
110Q95.1Very high96.6Very high102 Ų10278.2 Ų78.248%0.47743%0.429SS..SBendtrans-101.589.4177-65.1175.2-100108.6E134 Q135Q110-E134 HydrophobicContact CB-CB 3.9Å; Q110-E134 PolarHBondContact O-N 3.18Å; Q110-Q135 HydrophobicContact CB-CB 4.41Å
111L96.9Very high96.1Very high21 Ų2175.2 Ų75.211%0.1143%0.425CS..EExtended strand (participates in β ladder)trans-147.6151.8177.875.1168.7000111.2I104 L107 L131 V132 L133 L140 F145I104-L111 HydrophobicContact CG2-CD1 3.87Å; I104-L111 HydrophobicContact CG2-CG 3.7Å; L107-L111 HydrophobicContact CB-CD1 4.42Å; L107-L111 HydrophobicContact CB-CD2 4.18Å; L111-L131 HydrophobicContact CD1-CD1 4.44Å; L111-V132 CarbonylContact C-O 3.59Å; L111-V132 WeakPolarHBondContact CA-O 3.46Å; L111-V132 WeakPolarHBondContact CB-O 3.35Å; L111-L133 HydrophobicContact CB-CG 4.21Å; L111-L140 HydrophobicContact CD1-CD2 3.91Å; L111-L140 HydrophobicContact CD2-CD1 4.48Å; L111-L140 HydrophobicContact CD2-CD2 4.39Å; L111-F145 HydrophobicContact CD1-CE1 3.96Å; L111-F145 HydrophobicContact CD1-CZ 4.42Å
112W97.9Very high95.4Very high121 Ų12178.5 Ų78.546%0.45844%0.439SS..EExtended strand (participates in β ladder)trans-157.5155.9179.754.7-90.2000112.6V132 E134W112-V132 HydrophobicContact CD2-CB 4.12Å; W112-V132 HydrophobicContact CD2-CG2 4.44Å; W112-V132 HydrophobicContact CH2-CB 4.4Å; W112-V132 HydrophobicContact CH2-CG2 3.82Å; W112-V132 HydrophobicContact CZ2-CB 3.84Å; W112-V132 HydrophobicContact CZ2-CG1 4.02Å; W112-V132 HydrophobicContact CZ2-CG2 3.71Å; W112-V132 HydrophobicContact CZ3-CG2 4.27Å; W112-V132 PolarHBondContact N-O 3.41Å; W112-V132 PolarHBondContact O-N 3.37Å; W112-E134 PolarHBondContact NE1-OE1 3.46Å
113E98.1Very high94.8Very high46 Ų4681.7 Ų81.722%0.21546%0.456CS..EExtended strand (participates in β ladder)trans-88.8127.7173.7-68.7-174.571.600111.3Y96 W97 I104 K129 L131Y96-E113 WeakPolarHBondContact CA-OE1 2.93Å; W97-E113 HydrophobicContact CB-CG 3.92Å; W97-E113 HydrophobicContact CG-CG 4.32Å; W97-E113 PolarHBondContact N-OE1 3.37Å; I104-E113 HydrophobicContact CB-CG 3.92Å; I104-E113 HydrophobicContact CG1-CG 3.63Å; I104-E113 HydrophobicContact CG2-CG 4.27Å; E113-K129 HydrophobicContact CB-CD 4.25Å; E113-K129 WeakPolarHBondContact OE1-CD 3.36Å; E113-L131 HydrophobicContact CG-CD1 4.36Å
114G96.9Very high94.5Very high10 Ų1077.6 Ų77.610%0.10344%0.442CS..PPolyproline II helixtrans-70.7164.5172.900000113.5K129 A130G114-K129 WeakPolarHBondContact O-CG 3.47Å; G114-K129 PolarHBondContact O-NZ 3.38Å; G114-A130 PolarHBondContact N-O 2.89Å
115S96.9Very high94.4Very high115 Ų11577.7 Ų77.780%0.80444%0.443SS*.PPolyproline II helixtrans-56.4140172.9-61.20000111S117S115-S117 PolarHBondContact O-N 3.26Å
116T97.6Very high94.4Very high49 Ų4978 Ų7830%0.30144%0.438SS..PPolyproline II helixtrans-74.5118.1175.4-49.90000109.5L95 L127 Y128 K129L95-T116 HydrophobicContact CB-CG2 4.34Å; T116-L127 HydrophobicContact CG2-CB 4.38Å; T116-L127 HydrophobicContact CG2-CD2 4.14Å; T116-Y128 CarbonylContact C-O 3.54Å; T116-Y128 WeakPolarHBondContact CA-O 3Å; T116-K129 WeakPolarHBondContact OG1-CE 2.77Å; T116-K129 PolarHBondContact OG1-NZ 3.39Å
117S97.1Very high94.4Very high70 Ų7072.1 Ų72.149%0.4941%0.411SS..EExtended strand (participates in β ladder)trans-86.4143.4168.9-178.70000110.1S115 L127 Y128S115-S117 PolarHBondContact O-N 3.26Å; S117-L127 WeakPolarHBondContact O-CA 3.35Å; S117-Y128 PolarHBondContact N-O 3.44Å; S117-Y128 PolarHBondContact O-N 3.15Å
118R96.8Very high94.5Very high99 Ų9975.4 Ų75.437%0.37442%0.423SS..EExtended strand (participates in β ladder)trans-130.2128.8-179.5-62.8-177.6-174-115.7-6.9110P90 S93 T125 R126P90-R118 PolarHBondContact O-NH1 2.87Å; S93-R118 PolarHBondContact O-NH1 3.5Å; S93-R118 PolarHBondContact O-NH2 3.47Å; S93-R118 PolarHBondContact OG-NH1 2.99Å; R118-T125 HydrophobicContact CB-CG2 4.08Å; R118-R126 WeakPolarHBondContact CA-O 3.47Å
119E95.8Very high94.7Very high132 Ų13271.5 Ų71.562%0.61740%0.395SS*.EExtended strand (participates in β ladder)trans-120.9121.4174.3-174-177.9-174.100109T125 R126E119-T125 CarbonylContact O-C 3.53Å; E119-T125 WeakPolarHBondContact O-CA 3Å; E119-R126 HydrophobicContact CB-CB 4.33Å; E119-R126 PolarHBondContact N-O 2.85Å; E119-R126 PolarHBondContact O-N 2.91Å
120H93.1Very high95Very high124 Ų12469.8 Ų69.857%0.57438%0.376SS*.EExtended strand (participates in β ladder)trans-88.1117.7-177.8-67.183.3000110T125H120-T125 PolarHBondContact CD2-OG1 2.83Å; H120-T125 VanDerWaalsContact CD2-OG1 3.28Å
121G86.7Confident95.1Very high51 Ų5164.9 Ų64.953%0.52635%0.354SS..  trans-107.1176.8173.300000112.5T123 G124G121-T123 VanDerWaalsContact C-N 3.33Å; G121-T123 PolarHBondContact O-N 2.88Å; G121-G124 CarbonylContact C-O 3.54Å; G121-G124 VanDerWaalsContact CA-O 3.29Å; G121-G124 WeakPolarHBondContact CA-O 3.32Å; G121-G124 PolarHBondContact N-O 2.69Å
122S83.6Confident95.2Very high129 Ų12964.8 Ų64.890%0.90235%0.353SS*.SBendtrans-71.6-25.2178.455.40000113.8
123T85.1Confident95.2Very high115 Ų11559 Ų5971%0.70633%0.332SS*.SBendtrans-111-2.7-175.454.80000113.8G121G121-T123 VanDerWaalsContact C-N 3.33Å; G121-T123 PolarHBondContact O-N 2.88Å
124G92.3Very high95.1Very high14 Ų1461 Ų6114%0.14434%0.341CS..  trans162.4176-179.200000112.3S87 G121S87-G124 CarbonylContact O-C 3.59Å; S87-G124 WeakPolarHBondContact O-CA 3.33Å; G121-G124 CarbonylContact C-O 3.54Å; G121-G124 VanDerWaalsContact CA-O 3.29Å; G121-G124 WeakPolarHBondContact CA-O 3.32Å; G121-G124 PolarHBondContact N-O 2.69Å
125T95.1Very high95.1Very high4 Ų463.9 Ų63.93%0.02535%0.352CS..EExtended strand (participates in β ladder)trans-100.8126.6173.4-65.30000109.5C86 S87 P90 R118 E119 H120 L127C86-T125 WeakPolarHBondContact CA-O 3.39Å; S87-T125 PolarHBondContact N-O 2.89Å; S87-T125 PolarHBondContact O-N 2.84Å; P90-T125 WeakPolarHBondContact CA-OG1 3.2Å; P90-T125 VanDerWaalsContact CB-OG1 3.24Å; P90-T125 WeakPolarHBondContact CB-OG1 3.47Å; R118-T125 HydrophobicContact CB-CG2 4.08Å; E119-T125 CarbonylContact O-C 3.53Å; E119-T125 WeakPolarHBondContact O-CA 3Å; H120-T125 PolarHBondContact CD2-OG1 2.83Å; H120-T125 VanDerWaalsContact CD2-OG1 3.28Å; T125-L127 WeakPolarHBondContact O-CD1 3.45Å
126R96.6Very high95Very high136 Ų13658.4 Ų58.451%0.51331%0.314SS..EExtended strand (participates in β ladder)trans-83.5129.5170.7-164.4176.5-167.51692.7109.1A85 R118 E119A85-R126 CarbonylContact O-C 3.53Å; A85-R126 VanDerWaalsContact O-CA 3.31Å; A85-R126 WeakPolarHBondContact O-CA 3.45Å; A85-R126 WeakPolarHBondContact O-CG 3.35Å; R118-R126 WeakPolarHBondContact CA-O 3.47Å; E119-R126 HydrophobicContact CB-CB 4.33Å; E119-R126 PolarHBondContact N-O 2.85Å; E119-R126 PolarHBondContact O-N 2.91Å
127L97.6Very high95Very high0 Ų057.3 Ų57.30%031%0.307CS..EExtended strand (participates in β ladder)trans-108.7139.8174.3-5997000108.9T84 A85 L95 T116 S117 T125 L149T84-L127 VanDerWaalsContact CA-O 3.3Å; T84-L127 WeakPolarHBondContact CA-O 3.38Å; A85-L127 PolarHBondContact N-O 2.75Å; A85-L127 PolarHBondContact O-N 3.34Å; L95-L127 HydrophobicContact CB-CB 4.04Å; L95-L127 HydrophobicContact CB-CD2 4.16Å; L95-L127 HydrophobicContact CD2-CB 3.88Å; T116-L127 HydrophobicContact CG2-CB 4.38Å; T116-L127 HydrophobicContact CG2-CD2 4.14Å; S117-L127 WeakPolarHBondContact O-CA 3.35Å; T125-L127 WeakPolarHBondContact O-CD1 3.45Å; L127-L149 HydrophobicContact CD1-CD1 4.08Å
128Y98.1Very high94.9Very high93 Ų9358.2 Ų58.237%0.36531%0.311SS..EExtended strand (participates in β ladder)trans-129.5136.3172.9170-87.8000109.9S82 C83 T84 T116 S117 A130S82-Y128 PolarHBondContact OG-OH 2.79Å; C83-Y128 VanDerWaalsContact O-CA 3.31Å; C83-Y128 WeakPolarHBondContact O-CA 3.47Å; T84-Y128 HydrophobicContact CG2-CD2 3.77Å; T116-Y128 CarbonylContact C-O 3.54Å; T116-Y128 WeakPolarHBondContact CA-O 3Å; S117-Y128 PolarHBondContact N-O 3.44Å; S117-Y128 PolarHBondContact O-N 3.15Å; Y128-A130 HydrophobicContact CE1-CB 4.33Å
129K98.6Very high94.9Very high21 Ų2156.5 Ų56.59%0.09132%0.318CS..EExtended strand (participates in β ladder)trans-145.9129.6172.5-176-179.3-79.3-75.80110.9C83 L95 W97 E113 G114 T116C83-K129 PolarHBondContact N-O 3.18Å; C83-K129 PolarHBondContact O-N 3.38Å; L95-K129 HydrophobicContact CD2-CB 3.82Å; L95-K129 HydrophobicContact CG-CB 4.25Å; L95-K129 WeakPolarHBondContact O-CE 3.49Å; W97-K129 PolarHBondContact NE1-O 3.22Å; E113-K129 HydrophobicContact CB-CD 4.25Å; E113-K129 WeakPolarHBondContact OE1-CD 3.36Å; G114-K129 WeakPolarHBondContact O-CG 3.47Å; G114-K129 PolarHBondContact O-NZ 3.38Å; T116-K129 WeakPolarHBondContact OG1-CE 2.77Å; T116-K129 PolarHBondContact OG1-NZ 3.39Å
130A98.5Very high94.9Very high13 Ų1350.3 Ų50.311%0.10729%0.289CS..EExtended strand (participates in β ladder)trans-88.1148171.900000111.4T80 L81 G114 Y128T80-A130 HydrophobicContact CG2-CB 3.98Å; L81-A130 CarbonylContact O-C 3.53Å; L81-A130 WeakPolarHBondContact O-CA 3.1Å; G114-A130 PolarHBondContact N-O 2.89Å; Y128-A130 HydrophobicContact CE1-CB 4.33Å
131L98.7Very high95Very high0 Ų046.1 Ų46.10%027%0.27CS..EExtended strand (participates in β ladder)trans-115.8115.7162.2171.662.8000107.1T80 L81 W97 I104 L111 E113 L133 F145T80-L131 WeakPolarHBondContact CA-O 3.32Å; L81-L131 HydrophobicContact CB-CB 4.31Å; L81-L131 HydrophobicContact CD1-CD2 4.32Å; L81-L131 PolarHBondContact N-O 3.13Å; L81-L131 PolarHBondContact O-N 3.32Å; W97-L131 HydrophobicContact CB-CD2 4.36Å; W97-L131 HydrophobicContact CD2-CB 3.72Å; W97-L131 HydrophobicContact CD2-CD2 3.92Å; W97-L131 HydrophobicContact CD2-CG 4.42Å; W97-L131 HydrophobicContact CE3-CB 4.32Å; W97-L131 HydrophobicContact CE3-CD2 3.81Å; W97-L131 HydrophobicContact CG-CB 3.87Å; W97-L131 HydrophobicContact CG-CD2 4.2Å; W97-L131 HydrophobicContact CG-CG 4.47Å; W97-L131 HydrophobicContact CZ2-CB 4.01Å; W97-L131 HydrophobicContact CZ3-CD2 4.32Å; I104-L131 HydrophobicContact CD1-CD1 4.02Å; I104-L131 HydrophobicContact CD1-CD2 4.2Å; I104-L131 HydrophobicContact CG1-CD1 3.98Å; I104-L131 HydrophobicContact CG2-CD1 3.79Å; L111-L131 HydrophobicContact CD1-CD1 4.44Å; E113-L131 HydrophobicContact CG-CD1 4.36Å; L131-L133 HydrophobicContact CD2-CD1 4.27Å; L131-L133 HydrophobicContact CG-CD1 3.91Å; L131-F145 HydrophobicContact CD2-CB 4.42Å; L131-F145 HydrophobicContact CD2-CD1 3.51Å; L131-F145 HydrophobicContact CD2-CE1 3.87Å; L131-F145 HydrophobicContact CD2-CG 4Å
132V98.2Very high95.5Very high18 Ų1847.4 Ų47.411%0.10927%0.271CS..EExtended strand (participates in β ladder)trans-101.9123.9-178-177.70000108.2T80 L111 W112 E134T80-V132 HydrophobicContact CG2-CG2 4.24Å; L111-V132 CarbonylContact C-O 3.59Å; L111-V132 WeakPolarHBondContact CA-O 3.46Å; L111-V132 WeakPolarHBondContact CB-O 3.35Å; W112-V132 HydrophobicContact CD2-CB 4.12Å; W112-V132 HydrophobicContact CD2-CG2 4.44Å; W112-V132 HydrophobicContact CH2-CB 4.4Å; W112-V132 HydrophobicContact CH2-CG2 3.82Å; W112-V132 HydrophobicContact CZ2-CB 3.84Å; W112-V132 HydrophobicContact CZ2-CG1 4.02Å; W112-V132 HydrophobicContact CZ2-CG2 3.71Å; W112-V132 HydrophobicContact CZ3-CG2 4.27Å; W112-V132 PolarHBondContact N-O 3.41Å; W112-V132 PolarHBondContact O-N 3.37Å; V132-E134 HydrophobicContact CG1-CG 4.32Å
133L97.9Very high96.1Very high0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-103.7102.1168.4-70.473.1000105.9T78 L79 L111 L131 Q135 L136 L140 F145 L162T78-L133 CarbonylContact C-O 3.48Å; T78-L133 WeakPolarHBondContact CA-O 3.36Å; L79-L133 HydrophobicContact CB-CB 4.3Å; L79-L133 HydrophobicContact CD2-CD2 4.37Å; L79-L133 PolarHBondContact N-O 2.81Å; L79-L133 PolarHBondContact O-N 2.95Å; L111-L133 HydrophobicContact CB-CG 4.21Å; L131-L133 HydrophobicContact CD2-CD1 4.27Å; L131-L133 HydrophobicContact CG-CD1 3.91Å; L133-Q135 PolarHBondContact O-N 3.38Å; L133-L136 HydrophobicContact CD2-CD1 3.96Å; L133-L140 HydrophobicContact CD2-CB 3.9Å; L133-L140 HydrophobicContact CD2-CD1 4.05Å; L133-L140 HydrophobicContact CG-CD1 4.32Å; L133-F145 HydrophobicContact CD1-CZ 4.47Å; L133-F145 HydrophobicContact CD2-CE2 4.17Å; L133-F145 HydrophobicContact CD2-CZ 3.96Å; L133-L162 HydrophobicContact CD2-CD1 4.1Å
134E97.2Very high96.8Very high88 Ų8838.6 Ų38.641%0.41121%0.209SC..SBendtrans-64.4-35.5179.9-59.9-175.6165.400110.7T78 Q110 W112 V132T78-E134 WeakPolarHBondContact CA-O 3.31Å; T78-E134 PolarHBondContact OG1-O 2.98Å; Q110-E134 HydrophobicContact CB-CB 3.9Å; Q110-E134 PolarHBondContact O-N 3.18Å; W112-E134 PolarHBondContact NE1-OE1 3.46Å; V132-E134 HydrophobicContact CG1-CG 4.32Å
135Q95.5Very high97.1Very high70 Ų7037.9 Ų37.933%0.32720%0.202SC..SBendtrans-133.6112177-170.1179.171.300111.2N76 Q110 L133 T137N76-Q135 HydrophobicContact CB-CG 4.07Å; Q110-Q135 HydrophobicContact CB-CB 4.41Å; L133-Q135 PolarHBondContact O-N 3.38Å; Q135-T137 PolarHBondContact O-N 2.87Å; Q135-T137 VanDerWaalsContact O-N 3.12Å
136L95.9Very high97.2Very high1 Ų138 Ų381%0.00520%0.203CC..  trans-73.1101.4174.8-177.962.9000111.3V73 L75 N76 G77 L79 L133 L140 H141 L162 W166V73-L136 HydrophobicContact CB-CD2 4.49Å; L75-L136 WeakPolarHBondContact CA-O 3.46Å; L75-L136 HydrophobicContact CD2-CG 4.35Å; N76-L136 PolarHBondContact N-O 2.92Å; G77-L136 WeakPolarHBondContact O-CB 3.45Å; G77-L136 PolarHBondContact O-N 2.82Å; L79-L136 HydrophobicContact CD2-CD1 4.35Å; L133-L136 HydrophobicContact CD2-CD1 3.96Å; L136-L140 HydrophobicContact CD1-CB 4.37Å; L136-H141 HydrophobicContact CD1-CB 4.07Å; L136-L162 HydrophobicContact CD1-CD1 3.73Å; L136-W166 HydrophobicContact CD2-CH2 3.9Å; L136-W166 HydrophobicContact CD2-CZ3 3.83Å
137T96.2Very high97.3Very high26 Ų2631.5 Ų31.516%0.1618%0.178CC..  trans-89.5161.7174.570.70000111.5Q135 A139 L140 H141Q135-T137 PolarHBondContact O-N 2.87Å; Q135-T137 VanDerWaalsContact O-N 3.12Å; T137-A139 PolarHBondContact O-N 3.17Å; T137-L140 PolarHBondContact O-N 3.09Å; T137-L140 VanDerWaalsContact O-N 3.16Å; T137-L140 WeakPolarHBondContact OG1-CG 3.28Å; T137-L140 PolarHBondContact OG1-N 3.36Å; T137-H141 WeakPolarHBondContact O-CB 3.36Å; T137-H141 PolarHBondContact O-N 3.49Å
138P95.9Very high97.4Very high88 Ų8831.5 Ų31.557%0.57118%0.179SC*.Hα-helixtrans-55.3-36.5173.3-27.135.3000113.5L75 S142L75-P138 HydrophobicContact CD1-CG 4.18Å; L75-P138 HydrophobicContact CD2-CG 4.49Å; P138-S142 PolarHBondContact O-N 3.31Å
139A95.9Very high97.4Very high63 Ų6327.1 Ų27.152%0.52116%0.161SC..Hα-helixtrans-64.9-49.5176.400000111.2T137 H141 S142 T143T137-A139 PolarHBondContact O-N 3.17Å; A139-H141 VanDerWaalsContact C-N 3.29Å; A139-H141 PolarHBondContact O-N 3.47Å; A139-S142 PolarHBondContact O-N 3.47Å; A139-S142 VanDerWaalsContact O-N 3.17Å; A139-T143 PolarHBondContact O-N 3.09Å; A139-T143 VanDerWaalsContact O-N 3.08Å; A139-T143 PolarHBondContact O-OG1 3.23Å
140L96.1Very high97.4Very high3 Ų330.6 Ų30.62%0.01618%0.179CC..Hα-helixtrans-65.2-32.2178.9-65.9-178.2000112.7L107 L111 L133 L136 T137 S142 T143 F145L107-L140 HydrophobicContact CD2-CD2 4.41Å; L111-L140 HydrophobicContact CD1-CD2 3.91Å; L111-L140 HydrophobicContact CD2-CD1 4.48Å; L111-L140 HydrophobicContact CD2-CD2 4.39Å; L133-L140 HydrophobicContact CD2-CB 3.9Å; L133-L140 HydrophobicContact CD2-CD1 4.05Å; L133-L140 HydrophobicContact CG-CD1 4.32Å; L136-L140 HydrophobicContact CD1-CB 4.37Å; T137-L140 PolarHBondContact O-N 3.09Å; T137-L140 VanDerWaalsContact O-N 3.16Å; T137-L140 WeakPolarHBondContact OG1-CG 3.28Å; T137-L140 PolarHBondContact OG1-N 3.36Å; L140-S142 PolarHBondContact O-N 3.25Å; L140-T143 WeakPolarHBondContact CA-OG1 3.32Å; L140-T143 WeakPolarHBondContact O-CB 3.21Å; L140-T143 PolarHBondContact O-N 3.3Å; L140-F145 HydrophobicContact CB-CZ 4.42Å; L140-F145 HydrophobicContact CD2-CZ 4.15Å; L140-F145 WeakPolarHBondContact O-CE2 3.46Å
141H95.7Very high97.3Very high36 Ų3630.6 Ų30.617%0.16718%0.177CC..Hα-helixtrans-62.4-30.4175.5-173.6-122.7000113.2L136 T137 A139 A163 W166L136-H141 HydrophobicContact CD1-CB 4.07Å; T137-H141 WeakPolarHBondContact O-CB 3.36Å; T137-H141 PolarHBondContact O-N 3.49Å; A139-H141 VanDerWaalsContact C-N 3.29Å; A139-H141 PolarHBondContact O-N 3.47Å; H141-A163 WeakPolarHBondContact NE2-CA 3.23Å; H141-A163 WeakPolarHBondContact O-CB 3.17Å; H141-A163 PolarHBondContact O-N 3.2Å; H141-W166 AromaticContact CD2-CE3 3.85Å; H141-W166 AromaticContact CD2-CZ3 3.57Å; H141-W166 AromaticContact NE2-CE3 3.37Å; H141-W166 AromaticContact NE2-CZ3 3.58Å
142S96.3Very high97.3Very high78 Ų7834.6 Ų34.655%0.54520%0.203SC..Hα-helixtrans-100.9-0.3177.1-61.20000114.1P138 A139 L140P138-S142 PolarHBondContact O-N 3.31Å; A139-S142 PolarHBondContact O-N 3.47Å; A139-S142 VanDerWaalsContact O-N 3.17Å; L140-S142 PolarHBondContact O-N 3.25Å
143T97.8Very high97.1Very high7 Ų738.9 Ų38.94%0.04322%0.222CC..  trans-65.6137.8177.3-67.40000110.9L107 A139 L140 F145L107-T143 HydrophobicContact CD2-CG2 3.8Å; A139-T143 PolarHBondContact O-N 3.09Å; A139-T143 VanDerWaalsContact O-N 3.08Å; A139-T143 PolarHBondContact O-OG1 3.23Å; L140-T143 WeakPolarHBondContact CA-OG1 3.32Å; L140-T143 WeakPolarHBondContact O-CB 3.21Å; L140-T143 PolarHBondContact O-N 3.3Å; T143-F145 HydrophobicContact CG2-CD1 3.77Å; T143-F145 HydrophobicContact CG2-CD2 4.22Å; T143-F145 HydrophobicContact CG2-CE1 3.55Å; T143-F145 HydrophobicContact CG2-CE2 4.03Å; T143-F145 HydrophobicContact CG2-CG 4.11Å; T143-F145 HydrophobicContact CG2-CZ 3.7Å; T143-F145 PolarHBondContact O-N 3.32Å
144N98Very high97Very high51 Ų5141.7 Ų41.727%0.27324%0.235SC..EExtended strand (participates in β ladder)trans-83.993.2168.1-175.6-6000109.3N100 H159 I161N100-N144 PolarHBondContact N-O 2.95Å; N100-N144 PolarHBondContact OD1-N 2.89Å; N144-H159 WeakPolarHBondContact OD1-CB 3.31Å; N144-H159 PolarHBondContact OD1-ND1 3.24Å; N144-H159 VanDerWaalsContact OD1-ND1 3.16Å; N144-I161 HydrophobicContact CB-CD1 4.2Å; N144-I161 HydrophobicContact CB-CG1 3.95Å
145F98.5Very high97Very high0 Ų041.5 Ų41.50%024%0.24CC..EExtended strand (participates in β ladder)trans-77.8138.6172.9-62.3-71000109.7L81 W97 L98 I104 L107 L111 L131 L133 L140 T143 H159 V160 L162L81-F145 HydrophobicContact CD1-CB 4.42Å; L81-F145 HydrophobicContact CD1-CD2 4.04Å; L81-F145 HydrophobicContact CD1-CG 4.34Å; W97-F145 HydrophobicContact CE3-CB 4.33Å; W97-F145 HydrophobicContact CZ3-CB 4.25Å; L98-F145 CarbonylContact O-C 3.58Å; L98-F145 VanDerWaalsContact O-CA 3.25Å; L98-F145 WeakPolarHBondContact O-CA 3.39Å; I104-F145 HydrophobicContact CD1-CD1 4.38Å; L107-F145 HydrophobicContact CD2-CE1 4.46Å; L111-F145 HydrophobicContact CD1-CE1 3.96Å; L111-F145 HydrophobicContact CD1-CZ 4.42Å; L131-F145 HydrophobicContact CD2-CB 4.42Å; L131-F145 HydrophobicContact CD2-CD1 3.51Å; L131-F145 HydrophobicContact CD2-CE1 3.87Å; L131-F145 HydrophobicContact CD2-CG 4Å; L133-F145 HydrophobicContact CD1-CZ 4.47Å; L133-F145 HydrophobicContact CD2-CE2 4.17Å; L133-F145 HydrophobicContact CD2-CZ 3.96Å; L140-F145 HydrophobicContact CB-CZ 4.42Å; L140-F145 HydrophobicContact CD2-CZ 4.15Å; L140-F145 WeakPolarHBondContact O-CE2 3.46Å; T143-F145 HydrophobicContact CG2-CD1 3.77Å; T143-F145 HydrophobicContact CG2-CD2 4.22Å; T143-F145 HydrophobicContact CG2-CE1 3.55Å; T143-F145 HydrophobicContact CG2-CE2 4.03Å; T143-F145 HydrophobicContact CG2-CG 4.11Å; T143-F145 HydrophobicContact CG2-CZ 3.7Å; T143-F145 PolarHBondContact O-N 3.32Å; F145-H159 CarbonylContact O-C 3.6Å; F145-H159 VanDerWaalsContact O-CA 3.31Å; F145-H159 WeakPolarHBondContact O-CA 3.39Å; F145-V160 HydrophobicContact CB-CG1 3.72Å; F145-V160 PolarHBondContact N-O 3.47Å; F145-V160 PolarHBondContact O-N 3.49Å; F145-L162 HydrophobicContact CE2-CD1 4.09Å
146S98.6Very high97.1Very high5 Ų540.5 Ų40.54%0.03524%0.238CC..EExtended strand (participates in β ladder)trans-127.5121177.2-44.70000108.2W97 L98 R158 H159W97-S146 CarbonylContact C-O 3.51Å; W97-S146 WeakPolarHBondContact CA-O 3.45Å; L98-S146 PolarHBondContact N-O 2.92Å; L98-S146 PolarHBondContact O-N 2.78Å; S146-R158 WeakPolarHBondContact CA-O 3.37Å; S146-H159 PolarHBondContact OG-CE1 2.65Å; S146-H159 PolarHBondContact OG-ND1 2.94Å
147C98.6Very high97.2Very high0 Ų045.1 Ų45.10%026%0.26CS..EExtended strand (participates in β ladder)trans-85.7133163.3-178.70000108.7V66 C83 L95 W97 Q157 R158V66-C147 HydrophobicContact CG2-CB 3.66Å; C83-C147 HydrophobicContact CB-CB 3.64Å; C83-C147 WeakPolarHBondContact CB-SG 3.2Å; C83-C147 WeakPolarHBondContact SG-CB 3.44Å; C83-C147 CovalentContact SG-SG 2Å; C83-C147 PolarHBondContact SG-SG 3.09Å; L95-C147 VanDerWaalsContact CD1-SG 3.54Å; W97-C147 HydrophobicContact CD2-CB 4.16Å; W97-C147 HydrophobicContact CE3-CB 3.93Å; W97-C147 HydrophobicContact CH2-CB 4.05Å; W97-C147 HydrophobicContact CZ2-CB 4.26Å; W97-C147 HydrophobicContact CZ3-CB 3.87Å; C147-Q157 CarbonylContact O-C 3.55Å; C147-Q157 WeakPolarHBondContact O-CA 3.24Å; C147-R158 PolarHBondContact N-O 3.44Å; C147-R158 PolarHBondContact O-N 3.17Å
148V98.8Very high97.3Very high1 Ų151.2 Ų51.21%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-123.8124.3-176-171.70000110L95 Y96 L98 V155 V156 Q157L95-V148 WeakPolarHBondContact CA-O 3.41Å; Y96-V148 HydrophobicContact CD1-CB 4.29Å; Y96-V148 HydrophobicContact CD2-CB 4.25Å; Y96-V148 HydrophobicContact CD2-CG2 4.5Å; Y96-V148 HydrophobicContact CE1-CB 3.84Å; Y96-V148 HydrophobicContact CE1-CG1 3.82Å; Y96-V148 HydrophobicContact CE2-CB 3.8Å; Y96-V148 HydrophobicContact CE2-CG1 4.26Å; Y96-V148 HydrophobicContact CE2-CG2 3.94Å; Y96-V148 HydrophobicContact CG-CB 4.48Å; Y96-V148 PolarHBondContact N-O 2.84Å; Y96-V148 PolarHBondContact O-N 2.76Å; Y96-V148 WeakPolarHBondContact OH-CG1 3.32Å; L98-V148 HydrophobicContact CD1-CG2 3.9Å; L98-V148 HydrophobicContact CG-CG2 4.25Å; V148-V155 HydrophobicContact CG1-CG1 3.69Å; V148-V156 WeakPolarHBondContact CA-O 3.47Å; V148-Q157 HydrophobicContact CG1-CB 4.48Å; V148-Q157 HydrophobicContact CG2-CB 3.92Å
149L98.5Very high97.4Very high0 Ų051.1 Ų51.10%027%0.272CS..EExtended strand (participates in β ladder)trans-95.5128.4162.5175.874000108.3P62 L64 A85 C86 M94 L95 L127 V155 V156P62-L149 HydrophobicContact CB-CD2 3.5Å; L64-L149 HydrophobicContact CD1-CB 4.28Å; A85-L149 HydrophobicContact CB-CB 4.16Å; A85-L149 HydrophobicContact CB-CD1 3.98Å; A85-L149 HydrophobicContact CB-CD2 4.14Å; A85-L149 HydrophobicContact CB-CG 4.31Å; C86-L149 WeakPolarHBondContact O-CD2 3.38Å; M94-L149 WeakPolarHBondContact O-CA 3.21Å; L95-L149 HydrophobicContact CD1-CB 4.17Å; L95-L149 HydrophobicContact CD1-CD1 4.46Å; L127-L149 HydrophobicContact CD1-CD1 4.08Å; L149-V155 CarbonylContact O-C 3.57Å; L149-V155 WeakPolarHBondContact O-CA 3.36Å; L149-V156 PolarHBondContact N-O 3.28Å; L149-V156 PolarHBondContact O-N 2.95Å
150M98.3Very high97.5Very high94 Ų9448.4 Ų48.446%0.46325%0.249SC..EExtended strand (participates in β ladder)trans-122.9129.2169.3173.2173.9-174.500109.3S93 M94 Y96 V155S93-M150 CarbonylContact C-O 3.49Å; S93-M150 VanDerWaalsContact CA-O 3.31Å; S93-M150 WeakPolarHBondContact CA-O 3.35Å; M94-M150 PolarHBondContact N-O 3.37Å; M94-M150 PolarHBondContact O-N 2.96Å; Y96-M150 HydrophobicContact CE1-CB 4.36Å; M150-V155 HydrophobicContact CB-CG2 4.22Å; M150-V155 HydrophobicContact CG-CG2 3.95Å
151D97.5Very high97.5Very high14 Ų1450 Ų508%0.07526%0.257CS..  trans-143.9178.3170.772.622.1000110.4S87 F89 E153 Q154S87-D151 WeakPolarHBondContact CB-OD2 3.41Å; S87-D151 WeakPolarHBondContact OG-CB 3.48Å; S87-D151 PolarHBondContact OG-OD2 3.18Å; F89-D151 HydrophobicContact CB-CB 4.46Å; F89-D151 HydrophobicContact CD2-CB 4.14Å; D151-E153 PolarHBondContact O-N 3.17Å; D151-E153 PolarHBondContact OD1-N 3.39Å; D151-Q154 PolarHBondContact N-O 2.92Å; D151-Q154 PolarHBondContact O-N 2.82Å; D151-Q154 VanDerWaalsContact O-O 3.13Å; D151-Q154 WeakPolarHBondContact OD1-CG 3.42Å; D151-Q154 PolarHBondContact OD1-N 2.82Å
152P97.8Very high97.5Very high83 Ų8348.2 Ų48.254%0.53925%0.249SC..SBendtrans-65.3-18.3-176.7-23.736.7000114.8F89 F92F89-P152 HydrophobicContact CB-CG 4.23Å; F89-P152 HydrophobicContact CD1-CB 4.3Å; F89-P152 HydrophobicContact CD1-CG 3.76Å; F89-P152 HydrophobicContact CD2-CG 4.33Å; F89-P152 HydrophobicContact CE1-CB 4.18Å; F89-P152 HydrophobicContact CE1-CG 4.15Å; F89-P152 VanDerWaalsContact CG-CD 3.43Å; F89-P152 HydrophobicContact CG-CG 3.85Å; F89-P152 HydrophobicContact CZ-CB 4.32Å; F92-P152 HydrophobicContact CB-CG 3.76Å; F92-P152 VanDerWaalsContact O-CD 3.32Å; F92-P152 WeakPolarHBondContact O-CD 3.31Å
153E95.3Very high97.3Very high108 Ų10845.9 Ų45.951%0.50523%0.234SC..SBendtrans-90.5-33.5179.7-176.5173-177.300110.5R88 F89 D151R88-E153 IonicContact NH1-OE1 3.52Å; R88-E153 IonicContact NH1-OE2 3.32Å; R88-E153 PolarHBondContact NH1-OE2 2.79Å; F89-E153 HydrophobicContact CE2-CB 3.69Å; F89-E153 HydrophobicContact CZ-CB 4.23Å; D151-E153 PolarHBondContact O-N 3.17Å; D151-E153 PolarHBondContact OD1-N 3.39Å
154Q94.9Very high97.2Very high59 Ų5951.7 Ų51.728%0.27626%0.261SS..  trans-163.3162.3-167.751.3-177.767.900115.3P62 D151 V156P62-Q154 VanDerWaalsContact CB-NE2 3.34Å; D151-Q154 PolarHBondContact N-O 2.92Å; D151-Q154 PolarHBondContact O-N 2.82Å; D151-Q154 VanDerWaalsContact O-O 3.13Å; D151-Q154 WeakPolarHBondContact OD1-CG 3.42Å; D151-Q154 PolarHBondContact OD1-N 2.82Å; Q154-V156 HydrophobicContact CB-CG2 4.36Å; Q154-V156 HydrophobicContact CG-CG2 4.33Å
155V97.8Very high96.8Very high85 Ų8551 Ų5152%0.51526%0.257SS..EExtended strand (participates in β ladder)trans-120.1122.3162.4-177.20000108V148 L149 M150V148-V155 HydrophobicContact CG1-CG1 3.69Å; L149-V155 CarbonylContact O-C 3.57Å; L149-V155 WeakPolarHBondContact O-CA 3.36Å; M150-V155 HydrophobicContact CB-CG2 4.22Å; M150-V155 HydrophobicContact CG-CG2 3.95Å
156V97.8Very high96.4Very high48 Ų4851.1 Ų51.129%0.29126%0.257SS..EExtended strand (participates in β ladder)trans-128.8138.1179.3-177.30000109P62 L64 V148 L149 Q154P62-V156 HydrophobicContact CG-CG2 4.27Å; L64-V156 HydrophobicContact CD2-CB 4.38Å; L64-V156 HydrophobicContact CD2-CG1 3.94Å; L64-V156 WeakPolarHBondContact CD2-O 3.3Å; V148-V156 WeakPolarHBondContact CA-O 3.47Å; L149-V156 PolarHBondContact N-O 3.28Å; L149-V156 PolarHBondContact O-N 2.95Å; Q154-V156 HydrophobicContact CB-CG2 4.36Å; Q154-V156 HydrophobicContact CG-CG2 4.33Å
157Q98.1Very high95.9Very high99 Ų9952.9 Ų52.946%0.46327%0.272SS..EExtended strand (participates in β ladder)trans-131.2147.1-178.867.1-169.539.900112.4C147 V148 H159C147-Q157 CarbonylContact O-C 3.55Å; C147-Q157 WeakPolarHBondContact O-CA 3.24Å; V148-Q157 HydrophobicContact CG1-CB 4.48Å; V148-Q157 HydrophobicContact CG2-CB 3.92Å; Q157-H159 PolarHBondContact NE2-CE1 2.89Å; Q157-H159 PolarHBondContact NE2-NE2 2.7Å
158R98.2Very high95.2Very high154 Ų15454.4 Ų54.458%0.58129%0.288SS*.EExtended strand (participates in β ladder)trans-124.4122.2173.9-174.667.8178.8-170.7-0.7109.6L64 V66 S146 C147L64-R158 HydrophobicContact CD2-CB 3.9Å; L64-R158 HydrophobicContact CG-CB 4.17Å; V66-R158 HydrophobicContact CB-CG 4.5Å; V66-R158 HydrophobicContact CG2-CB 4.13Å; V66-R158 HydrophobicContact CG2-CG 4.11Å; S146-R158 WeakPolarHBondContact CA-O 3.37Å; C147-R158 PolarHBondContact N-O 3.44Å; C147-R158 PolarHBondContact O-N 3.17Å
159H97.8Very high94.4Very high86 Ų8657.3 Ų57.340%0.39830%0.303SS..EExtended strand (participates in β ladder)trans-87.9147.6179.9-62.6-71.5000112.1N144 F145 S146 Q157N144-H159 WeakPolarHBondContact OD1-CB 3.31Å; N144-H159 PolarHBondContact OD1-ND1 3.24Å; N144-H159 VanDerWaalsContact OD1-ND1 3.16Å; F145-H159 CarbonylContact O-C 3.6Å; F145-H159 VanDerWaalsContact O-CA 3.31Å; F145-H159 WeakPolarHBondContact O-CA 3.39Å; S146-H159 PolarHBondContact OG-CE1 2.65Å; S146-H159 PolarHBondContact OG-ND1 2.94Å; Q157-H159 PolarHBondContact NE2-CE1 2.89Å; Q157-H159 PolarHBondContact NE2-NE2 2.7Å
160V97.1Very high93.4Very high5 Ų564.9 Ų64.93%0.0333%0.332CS..EExtended strand (participates in β ladder)trans-147.1131.3173.366.80000110.3V66 W68 L81 W97 F145 L165V66-V160 HydrophobicContact CG1-CB 4.42Å; V66-V160 HydrophobicContact CG1-CG1 4.12Å; W68-V160 HydrophobicContact CE3-CG2 4.49Å; L81-V160 HydrophobicContact CD1-CG1 3.94Å; W97-V160 HydrophobicContact CZ3-CG1 4.31Å; F145-V160 HydrophobicContact CB-CG1 3.72Å; F145-V160 PolarHBondContact N-O 3.47Å; F145-V160 PolarHBondContact O-N 3.49Å; V160-L165 HydrophobicContact CG2-CD1 3.08Å; V160-L165 HydrophobicContact CG2-CD2 4.24Å; V160-L165 HydrophobicContact CG2-CG 3.78Å
161I96.8Very high92.4Very high36 Ų3666 Ų6619%0.18534%0.344CS..EExtended strand (participates in β ladder)trans-122.4114.6172.8-62.7165000106.7N144 A163 Q164 L165N144-I161 HydrophobicContact CB-CD1 4.2Å; N144-I161 HydrophobicContact CB-CG1 3.95Å; I161-A163 VanDerWaalsContact C-N 3.31Å; I161-A163 HydrophobicContact CG2-CB 4.34Å; I161-A163 PolarHBondContact O-N 3.44Å; I161-Q164 HydrophobicContact CB-CB 4.28Å; I161-Q164 HydrophobicContact CB-CG 4.03Å; I161-Q164 HydrophobicContact CG2-CB 4.45Å; I161-Q164 HydrophobicContact CG2-CG 3.92Å; I161-Q164 PolarHBondContact O-N 3.44Å; I161-L165 PolarHBondContact O-N 3.16Å; I161-L165 VanDerWaalsContact O-N 3.13Å
162L94.8Very high91.1Very high0 Ų070.5 Ų70.50%037%0.372CS..Hα-helixtrans-56.5-44.9-172.9-64170.6000112.3L79 L81 L133 L136 F145 Q164 L165 W166L79-L162 HydrophobicContact CD2-CD1 3.33Å; L79-L162 HydrophobicContact CD2-CD2 3.64Å; L79-L162 HydrophobicContact CD2-CG 4.11Å; L81-L162 HydrophobicContact CD1-CD2 4.31Å; L81-L162 HydrophobicContact CD2-CD2 3.91Å; L133-L162 HydrophobicContact CD2-CD1 4.1Å; L136-L162 HydrophobicContact CD1-CD1 3.73Å; F145-L162 HydrophobicContact CE2-CD1 4.09Å; L162-Q164 PolarHBondContact O-N 2.86Å; L162-L165 PolarHBondContact O-N 2.04Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L162-W166 HydrophobicContact CB-CE3 4.4Å; L162-W166 HydrophobicContact CB-CZ3 4.22Å; L162-W166 PolarHBondContact O-N 3.26Å; L162-W166 VanDerWaalsContact O-N 3.14Å
163A93.3Very high89.2Confident29 Ų2972.1 Ų72.124%0.2438%0.376CS..Hα-helixtrans-56.2-36177.200000113.4H141 I161 A167H141-A163 WeakPolarHBondContact NE2-CA 3.23Å; H141-A163 WeakPolarHBondContact O-CB 3.17Å; H141-A163 PolarHBondContact O-N 3.2Å; I161-A163 VanDerWaalsContact C-N 3.31Å; I161-A163 HydrophobicContact CG2-CB 4.34Å; I161-A163 PolarHBondContact O-N 3.44Å; A163-A167 VanDerWaalsContact O-CB 3.23Å; A163-A167 WeakPolarHBondContact O-CB 3.19Å; A163-A167 PolarHBondContact O-N 3.3Å
164Q94.2Very high87.2Confident129 Ų12971.5 Ų71.560%0.60338%0.381SS*.Hα-helixtrans-77.7-37.7179.7-64.6179.2-6.200111.8I161 L162 A167 G168I161-Q164 HydrophobicContact CB-CB 4.28Å; I161-Q164 HydrophobicContact CB-CG 4.03Å; I161-Q164 HydrophobicContact CG2-CB 4.45Å; I161-Q164 HydrophobicContact CG2-CG 3.92Å; I161-Q164 PolarHBondContact O-N 3.44Å; L162-Q164 PolarHBondContact O-N 2.86Å; Q164-A167 PolarHBondContact O-N 3.34Å; Q164-G168 PolarHBondContact O-N 3.2Å
165L91.4Very high85.3Confident35 Ų3574.5 Ų74.518%0.18341%0.405CS..Hα-helixtrans-61.8-51.3178.7-68.6-179.9000111.9W68 V160 I161 L162 A167 G168 L169W68-L165 HydrophobicContact CB-CD1 4.17Å; W68-L165 HydrophobicContact CD2-CD1 3.33Å; W68-L165 HydrophobicContact CD2-CD2 4.28Å; W68-L165 HydrophobicContact CD2-CG 4.35Å; W68-L165 HydrophobicContact CE3-CD1 3.78Å; W68-L165 HydrophobicContact CE3-CD2 4.48Å; W68-L165 HydrophobicContact CG-CD1 3.49Å; W68-L165 VanDerWaalsContact CG-CD1 3.49Å; W68-L165 HydrophobicContact CH2-CD2 3.79Å; W68-L165 HydrophobicContact CZ2-CD1 4.18Å; W68-L165 HydrophobicContact CZ2-CD2 3.53Å; W68-L165 HydrophobicContact CZ2-CG 4.37Å; W68-L165 HydrophobicContact CZ3-CD1 4.36Å; W68-L165 HydrophobicContact CZ3-CD2 4.25Å; V160-L165 HydrophobicContact CG2-CD1 3.08Å; V160-L165 HydrophobicContact CG2-CD2 4.24Å; V160-L165 HydrophobicContact CG2-CG 3.78Å; I161-L165 PolarHBondContact O-N 3.16Å; I161-L165 VanDerWaalsContact O-N 3.13Å; L162-L165 PolarHBondContact O-N 2.04Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L165-A167 VanDerWaalsContact C-N 3.35Å; L165-G168 PolarHBondContact O-N 3.45Å; L165-L169 PolarHBondContact O-N 3.5Å
166W89.1Confident83.1Confident3 Ų376 Ų761%0.01142%0.415CS..Hα-helixtrans-74.3-26.1-178.8-65.9-43.1000112.8P69 E72 V73 L79 L136 H141 L162 R170P69-W166 PolarHBondContact O-NE1 2.87Å; P69-W166 VanDerWaalsContact O-NE1 3.13Å; E72-W166 HydrophobicContact CB-CB 4.31Å; E72-W166 HydrophobicContact CB-CD2 3.95Å; E72-W166 HydrophobicContact CB-CE3 4.35Å; E72-W166 HydrophobicContact CB-CG 3.92Å; E72-W166 HydrophobicContact CG-CB 4.29Å; E72-W166 HydrophobicContact CG-CD2 3.79Å; E72-W166 HydrophobicContact CG-CE3 3.67Å; E72-W166 HydrophobicContact CG-CG 4.07Å; E72-W166 HydrophobicContact CG-CZ3 4.15Å; V73-W166 HydrophobicContact CB-CH2 3.91Å; V73-W166 HydrophobicContact CB-CZ2 4.24Å; V73-W166 HydrophobicContact CG2-CH2 4.29Å; V73-W166 HydrophobicContact CG2-CZ2 4.15Å; L79-W166 HydrophobicContact CD1-CH2 4.46Å; L79-W166 HydrophobicContact CD1-CZ2 4.25Å; L79-W166 HydrophobicContact CD2-CH2 3.96Å; L79-W166 HydrophobicContact CD2-CZ2 4.42Å; L136-W166 HydrophobicContact CD2-CH2 3.9Å; L136-W166 HydrophobicContact CD2-CZ3 3.83Å; H141-W166 AromaticContact CD2-CE3 3.85Å; H141-W166 AromaticContact CD2-CZ3 3.57Å; H141-W166 AromaticContact NE2-CE3 3.37Å; H141-W166 AromaticContact NE2-CZ3 3.58Å; L162-W166 HydrophobicContact CB-CE3 4.4Å; L162-W166 HydrophobicContact CB-CZ3 4.22Å; L162-W166 PolarHBondContact O-N 3.26Å; L162-W166 VanDerWaalsContact O-N 3.14Å; W166-R170 WeakPolarHBondContact O-CG 3.29Å; W166-R170 PolarHBondContact O-N 2.84Å; W166-R170 PolarHBondContact O-NE 2.56Å
167A88.3Confident80.9Confident43 Ų4382.6 Ų82.636%0.35544%0.443SS..Hα-helixtrans-63.5-44.316600000111.4A163 Q164 L165 R170 T171A163-A167 VanDerWaalsContact O-CB 3.23Å; A163-A167 WeakPolarHBondContact O-CB 3.19Å; A163-A167 PolarHBondContact O-N 3.3Å; Q164-A167 PolarHBondContact O-N 3.34Å; L165-A167 VanDerWaalsContact C-N 3.35Å; A167-R170 PolarHBondContact O-N 3.21Å; A167-T171 PolarHBondContact O-N 2.8Å
168G84Confident78.3Confident32 Ų3286.5 Ų86.533%0.3346%0.461SS..Hα-helixtrans-61.9-44.9176.800000113.2Q164 L165 R170 T171 T172Q164-G168 PolarHBondContact O-N 3.2Å; L165-G168 PolarHBondContact O-N 3.45Å; G168-R170 VanDerWaalsContact C-N 3.31Å; G168-R170 PolarHBondContact O-N 3.49Å; G168-T171 PolarHBondContact O-N 3.47Å; G168-T171 PolarHBondContact O-OG1 3.09Å; G168-T172 PolarHBondContact O-N 2.95Å; G168-T172 PolarHBondContact O-OG1 3.18Å
169L80.9Confident75.8Confident62 Ų6283.3 Ų83.333%0.32547%0.468SS..Hα-helixtrans-59.7-38176.9-83.6149.2000113.1L165 T171 T172 L173L165-L169 PolarHBondContact O-N 3.5Å; L169-T171 VanDerWaalsContact C-N 3.27Å; L169-T171 PolarHBondContact O-N 3.15Å; L169-T172 WeakPolarHBondContact CA-OG1 3.3Å; L169-T172 PolarHBondContact O-N 3.45Å; L169-T172 PolarHBondContact O-OG1 3.5Å; L169-L173 PolarHBondContact O-N 3.34Å
170R79.1Confident72.9Confident158 Ų15886 Ų8660%0.59648%0.484SS*.Hα-helixtrans-65.5-30175.1-78.1-175.8-78.4-164.8-13.2113.1E72 W166 A167 G168E72-R170 IonicContact OE1-NH2 3.94Å; E72-R170 IonicContact OE2-CZ 3.63Å; E72-R170 IonicContact OE2-NE 3.92Å; E72-R170 IonicContact OE2-NH2 3.6Å; W166-R170 WeakPolarHBondContact O-CG 3.29Å; W166-R170 PolarHBondContact O-N 2.84Å; W166-R170 PolarHBondContact O-NE 2.56Å; A167-R170 PolarHBondContact O-N 3.21Å; G168-R170 VanDerWaalsContact C-N 3.31Å; G168-R170 PolarHBondContact O-N 3.49Å
171T76.5Confident70.1Confident118 Ų11891.4 Ų91.472%0.72452%0.519SS*.Hα-helixtrans-81.6-23.1178.860.60000113.9A167 G168 L169A167-T171 PolarHBondContact O-N 2.8Å; G168-T171 PolarHBondContact O-N 3.47Å; G168-T171 PolarHBondContact O-OG1 3.09Å; L169-T171 VanDerWaalsContact C-N 3.27Å; L169-T171 PolarHBondContact O-N 3.15Å
172T70.6Confident67.3Low108 Ų10893.9 Ų93.966%0.66354%0.54SS*.Hα-helixtrans-89.6-20178.337.40000113.8G168 L169G168-T172 PolarHBondContact O-N 2.95Å; G168-T172 PolarHBondContact O-OG1 3.18Å; L169-T172 WeakPolarHBondContact CA-OG1 3.3Å; L169-T172 PolarHBondContact O-N 3.45Å; L169-T172 PolarHBondContact O-OG1 3.5Å
173L58.6Low64.6Low118 Ų11898.9 Ų98.962%0.61858%0.575SS**SBendtrans-70.3123.1167.6-165.679.5000108.3L169L169-L173 PolarHBondContact O-N 3.34Å
174P52.3Low62Low94 Ų94106.1 Ų106.161%0.6160%0.603SS**  trans-56.3141.6170.823.7-30.7000107.9T176P174-T176 VanDerWaalsContact C-N 3.34Å; P174-T176 PolarHBondContact O-N 3.01Å
175P55Low59.2Low122 Ų122104.8 Ų104.879%0.79261%0.608SS**  trans-61.1104.7176.425.8-30.7000106.4Q177P175-Q177 PolarHBondContact O-N 3.4Å
176T52.5Low56.7Low118 Ų118109.1 Ų109.172%0.72464%0.636SS**  trans-54.5114.7162.1-58.30000104P174 E178P174-T176 VanDerWaalsContact C-N 3.34Å; P174-T176 PolarHBondContact O-N 3.01Å; T176-E178 PolarHBondContact O-N 3.17Å
177Q50.5Low54.1Low185 Ų185112.2 Ų112.286%0.86467%0.669SS**  trans-60.488.4-176.3-146.6155.7-11.300106.7P175 A179P175-Q177 PolarHBondContact O-N 3.4Å; Q177-A179 PolarHBondContact O-N 2.99Å
178E44.1Very low52.1Low182 Ų182115.9 Ų115.985%0.8569%0.689SS**  trans-59.1102.3160.2-83.2-169.9145.900103.9T176 L180T176-E178 PolarHBondContact O-N 3.17Å; E178-L180 PolarHBondContact O-N 3.27Å
179A44.3Very low49.8Very low87 Ų87123.4 Ų123.472%0.71972%0.716SS**  trans-50.6109.7172.400000106.5Q177 P181Q177-A179 PolarHBondContact O-N 2.99Å; A179-P181 WeakPolarHBondContact O-CD 3.36Å; A179-P181 VanDerWaalsContact O-N 3.11Å
180L37Very low47.7Very low143 Ų143128.8 Ų128.875%0.74974%0.74SS**  trans-36.8116.7167.1-154.9126000107.7E178 S182E178-L180 PolarHBondContact O-N 3.27Å; L180-S182 PolarHBondContact O-N 3.37Å
181P40Very low45.8Very low118 Ų118127 Ų12777%0.76675%0.749SS**  trans-61.6110.3167.423.1-28.3000105.2A179 S183A179-P181 WeakPolarHBondContact O-CD 3.36Å; A179-P181 VanDerWaalsContact O-N 3.11Å; P181-S183 VanDerWaalsContact C-N 3.32Å; P181-S183 PolarHBondContact O-N 3.28Å
182S36.8Very low43.9Very low87 Ų87127.3 Ų127.361%0.60875%0.75SS**  trans-59101.8174.150.30000107.1L180 H184L180-S182 PolarHBondContact O-N 3.37Å; S182-H184 PolarHBondContact O-N 3.2Å
183S37.7Very low42.4Very low106 Ų106126.4 Ų126.474%0.74175%0.754SS**  trans-63.690168.3480000107.7P181 S185P181-S183 VanDerWaalsContact C-N 3.32Å; P181-S183 PolarHBondContact O-N 3.28Å; S183-S185 PolarHBondContact O-N 3.33Å
184H40.1Very low41.2Very low181 Ų181126 Ų12684%0.83877%0.767SS**  trans-69.382.8160.5-86.4-74.7000107.9S182 T186S182-H184 PolarHBondContact O-N 3.2Å; H184-T186 PolarHBondContact O-N 3.25Å
185S35Very low40.4Very low101 Ų101125.1 Ų125.171%0.70678%0.775SS**  trans-77.4113166.3177.30000108.6S183S183-S185 PolarHBondContact O-N 3.33Å
186T37.8Very low39.5Very low125 Ų125126.6 Ų126.677%0.76778%0.776SS**  trans24.1107.8141.9-36.70000116.3H184H184-T186 PolarHBondContact O-N 3.25Å
187G35.8Very low38.8Very low69 Ų69132.9 Ų132.971%0.71179%0.786SS**  trans-63.6160.7171.200000113.2
188P46.1Very low38.3Very low119 Ų119131.4 Ų131.477%0.77378%0.784SS**  trans-124.4139.1139.833.9-22.8000108.3
189Q35.7Very low38Very low191 Ų191128 Ų12889%0.89378%0.78SS**  trans-179.7102.2133.1-81.1-115.3-22.600107.7
190Q36.8Very low37.7Very low175 Ų175130.8 Ų130.882%0.81879%0.788SS**PPolyproline II helixtrans-89.3127168.6180162.8-73.500108.2
191P39.8Very low37.7Very low121 Ų121127.1 Ų127.179%0.78679%0.785SS**PPolyproline II helixtrans-92.2133158.3-5.324.3000110.1
192T36.2Very low38.5Very low123 Ų123127.9 Ų127.976%0.75579%0.79SS**PPolyproline II helixtrans-77.5139.8178.7-60.90000112.1
193A37.5Very low38.7Very low90 Ų90128.3 Ų128.374%0.74480%0.798SS**  trans64.4115.6152.400000120.2
194A35.2Very low38.7Very low108 Ų108128.1 Ų128.189%0.89380%0.803SS**  -179.2142.9108.600000110.4
195G34.6Very low38.8Very low76 Ų76123.6 Ų123.678%0.78480%0.797SS**  trans11791.6151.600000116.3
196L35.8Very low39.2Very low154 Ų154130 Ų13081%0.80681%0.806SS**  trans-30139.9155.4-84.770.7000113.9
197R38.4Very low40Very low249 Ų249133.6 Ų133.694%0.9483%0.831SS**  -162.3125.6115.2-107.5179.2-174.4-171.62.5112.6
198L40.3Very low40.2Very low155 Ų155136.8 Ų136.881%0.81284%0.837SS**  trans-57.5145.9168.7-72.880.2000111.1
199S38.3Very low39.9Very low111 Ų111137.7 Ų137.778%0.77684%0.841SS**  -178.1105.9124.1-167.90000111.5
200T37.4Very low40.1Very low145 Ų145134.8 Ų134.889%0.8984%0.838SS**  trans-169.7113.7138.120000109.6
201G37.5Very low40.3Very low66 Ų66132.4 Ų132.468%0.6884%0.839SS**  trans-91.7-159.8155.300000110.1
202P55.2Low40.3Very low134 Ų134133.1 Ų133.187%0.8784%0.842SS**  -127.1160.7-55.236.9-24.9000111.8
203A40.7Very low40.6Very low95 Ų95133.8 Ų133.879%0.78585%0.848SS**  trans-176.5105.6152.400000108.7
204A39.2Very low40.8Very low102 Ų102136.9 Ų136.984%0.84386%0.855SS**  70.3133.293.500000113.5
205A40.8Very low41.3Very low86 Ų86139.2 Ų139.271%0.71185%0.853SS**  cis-173.1167.2-7.300000109.9
206R43.5Very low41.8Very low237 Ų237144.4 Ų144.489%0.89486%0.858SS**  trans89.9154.7151.8-64.8179.2173.5175.8-1.9120.7
207P54.9Low42.4Very low199 Ų199143.5 Ų143.5100%1.29286%0.863SS**  cis-107.30-630.2-13.7000114.9

Retrieved 207 of 207 residues in 323.6 ms (Link to these results)